USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=16 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 Set 1.1: A 22 THR OG1 : rot 180:sc= -0.362 USER MOD Set 1.2: A 25 LYS NZ :NH3+ -133:sc= 0.038 (180deg=0) USER MOD Set 2.1: A 9 ASN :FLIP amide:sc= -1.5 F(o=-3!,f=-2) USER MOD Set 2.2: A 16 GLN :FLIP amide:sc= -0.483 F(o=-3.8,f=-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 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.059 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 110:sc= -0.0869 USER MOD Single : A 27 SER OG : rot -39:sc= -0.825! 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 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 90:sc= 0.0404 USER MOD Single : A 46 ASN :FLIP amide:sc= -1.43 F(o=-2.8!,f=-1.4) 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 67.162 9.519 -36.617 1.00 1.00 N ATOM 58 CA GLY A 5 66.029 10.206 -37.226 1.00 1.00 C ATOM 59 C GLY A 5 64.739 9.424 -37.012 1.00 1.00 C ATOM 60 O GLY A 5 64.412 9.042 -35.888 1.00 1.00 O ATOM 0 HA2 GLY A 5 65.930 11.203 -36.797 1.00 1.00 H new ATOM 0 HA3 GLY A 5 66.208 10.335 -38.293 1.00 1.00 H new ATOM 64 N ASP A 6 64.008 9.189 -38.097 1.00 1.00 N ATOM 65 CA ASP A 6 62.753 8.450 -38.015 1.00 1.00 C ATOM 66 C ASP A 6 61.928 8.926 -36.824 1.00 1.00 C ATOM 67 O ASP A 6 61.058 8.207 -36.332 1.00 1.00 O ATOM 68 CB ASP A 6 63.036 6.954 -37.876 1.00 1.00 C ATOM 69 CG ASP A 6 61.973 6.150 -38.617 1.00 1.00 C ATOM 70 OD1 ASP A 6 60.813 6.522 -38.534 1.00 1.00 O ATOM 71 OD2 ASP A 6 62.332 5.175 -39.256 1.00 1.00 O ATOM 0 H ASP A 6 64.260 9.497 -39.036 1.00 1.00 H new ATOM 0 HA ASP A 6 62.187 8.629 -38.929 1.00 1.00 H new ATOM 0 HB2 ASP A 6 64.023 6.724 -38.277 1.00 1.00 H new ATOM 0 HB3 ASP A 6 63.047 6.674 -36.823 1.00 1.00 H new ATOM 76 N PHE A 7 62.206 10.142 -36.365 1.00 1.00 N ATOM 77 CA PHE A 7 61.481 10.704 -35.231 1.00 1.00 C ATOM 78 C PHE A 7 61.282 9.648 -34.149 1.00 1.00 C ATOM 79 O PHE A 7 60.151 9.299 -33.810 1.00 1.00 O ATOM 80 CB PHE A 7 60.121 11.232 -35.689 1.00 1.00 C ATOM 81 CG PHE A 7 60.304 12.105 -36.908 1.00 1.00 C ATOM 82 CD1 PHE A 7 60.799 13.407 -36.768 1.00 1.00 C ATOM 83 CD2 PHE A 7 59.981 11.611 -38.178 1.00 1.00 C ATOM 84 CE1 PHE A 7 60.969 14.217 -37.898 1.00 1.00 C ATOM 85 CE2 PHE A 7 60.151 12.420 -39.307 1.00 1.00 C ATOM 86 CZ PHE A 7 60.645 13.722 -39.168 1.00 1.00 C ATOM 0 H PHE A 7 62.922 10.753 -36.757 1.00 1.00 H new ATOM 0 HA PHE A 7 62.067 11.525 -34.819 1.00 1.00 H new ATOM 0 HB2 PHE A 7 59.455 10.400 -35.921 1.00 1.00 H new ATOM 0 HB3 PHE A 7 59.652 11.802 -34.887 1.00 1.00 H new ATOM 0 HD1 PHE A 7 61.050 13.787 -35.789 1.00 1.00 H new ATOM 0 HD2 PHE A 7 59.601 10.606 -38.286 1.00 1.00 H new ATOM 0 HE1 PHE A 7 61.349 15.222 -37.790 1.00 1.00 H new ATOM 0 HE2 PHE A 7 59.901 12.039 -40.286 1.00 1.00 H new ATOM 0 HZ PHE A 7 60.777 14.345 -40.040 1.00 1.00 H new ATOM 96 N ASP A 8 62.387 9.143 -33.610 1.00 1.00 N ATOM 97 CA ASP A 8 62.321 8.127 -32.566 1.00 1.00 C ATOM 98 C ASP A 8 61.552 8.648 -31.357 1.00 1.00 C ATOM 99 O ASP A 8 61.773 9.771 -30.905 1.00 1.00 O ATOM 100 CB ASP A 8 63.733 7.724 -32.140 1.00 1.00 C ATOM 101 CG ASP A 8 63.667 6.731 -30.985 1.00 1.00 C ATOM 102 OD1 ASP A 8 62.999 5.721 -31.135 1.00 1.00 O ATOM 103 OD2 ASP A 8 64.284 6.995 -29.967 1.00 1.00 O ATOM 0 H ASP A 8 63.332 9.418 -33.876 1.00 1.00 H new ATOM 0 HA ASP A 8 61.800 7.257 -32.965 1.00 1.00 H new ATOM 0 HB2 ASP A 8 64.263 7.279 -32.983 1.00 1.00 H new ATOM 0 HB3 ASP A 8 64.297 8.607 -31.839 1.00 1.00 H new ATOM 108 N ASN A 9 60.647 7.824 -30.838 1.00 1.00 N ATOM 109 CA ASN A 9 59.851 8.211 -29.679 1.00 1.00 C ATOM 110 C ASN A 9 59.383 6.978 -28.914 1.00 1.00 C ATOM 111 O ASN A 9 59.322 6.984 -27.684 1.00 1.00 O ATOM 112 CB ASN A 9 58.636 9.025 -30.129 1.00 1.00 C ATOM 113 CG ASN A 9 57.655 9.180 -28.973 1.00 1.00 C ATOM 114 OD1 ASN A 9 56.977 8.144 -28.561 1.00 1.00 O flip ATOM 115 ND2 ASN A 9 57.502 10.273 -28.428 1.00 1.00 N flip ATOM 0 H ASN A 9 60.448 6.891 -31.199 1.00 1.00 H new ATOM 0 HA ASN A 9 60.473 8.818 -29.021 1.00 1.00 H new ATOM 0 HB2 ASN A 9 58.955 10.006 -30.480 1.00 1.00 H new ATOM 0 HB3 ASN A 9 58.147 8.530 -30.968 1.00 1.00 H new ATOM 0 HD21 ASN A 9 58.032 11.082 -28.751 1.00 1.00 H new ATOM 0 HD22 ASN A 9 56.845 10.369 -27.654 1.00 1.00 H new ATOM 122 N TYR A 10 59.055 5.920 -29.650 1.00 1.00 N ATOM 123 CA TYR A 10 58.594 4.683 -29.031 1.00 1.00 C ATOM 124 C TYR A 10 59.432 4.355 -27.801 1.00 1.00 C ATOM 125 O TYR A 10 58.964 3.677 -26.886 1.00 1.00 O ATOM 126 CB TYR A 10 58.691 3.532 -30.031 1.00 1.00 C ATOM 127 CG TYR A 10 58.049 3.941 -31.335 1.00 1.00 C ATOM 128 CD1 TYR A 10 56.669 3.788 -31.515 1.00 1.00 C ATOM 129 CD2 TYR A 10 58.834 4.475 -32.364 1.00 1.00 C ATOM 130 CE1 TYR A 10 56.074 4.166 -32.724 1.00 1.00 C ATOM 131 CE2 TYR A 10 58.239 4.854 -33.573 1.00 1.00 C ATOM 132 CZ TYR A 10 56.859 4.701 -33.753 1.00 1.00 C ATOM 133 OH TYR A 10 56.273 5.075 -34.945 1.00 1.00 O ATOM 0 H TYR A 10 59.100 5.895 -30.669 1.00 1.00 H new ATOM 0 HA TYR A 10 57.556 4.817 -28.727 1.00 1.00 H new ATOM 0 HB2 TYR A 10 59.735 3.266 -30.195 1.00 1.00 H new ATOM 0 HB3 TYR A 10 58.196 2.647 -29.632 1.00 1.00 H new ATOM 0 HD1 TYR A 10 56.063 3.378 -30.720 1.00 1.00 H new ATOM 0 HD2 TYR A 10 59.898 4.594 -32.225 1.00 1.00 H new ATOM 0 HE1 TYR A 10 55.010 4.045 -32.863 1.00 1.00 H new ATOM 0 HE2 TYR A 10 58.845 5.265 -34.367 1.00 1.00 H new ATOM 0 HH TYR A 10 56.959 5.428 -35.550 1.00 1.00 H new ATOM 143 N TYR A 11 60.672 4.837 -27.794 1.00 1.00 N ATOM 144 CA TYR A 11 61.579 4.592 -26.674 1.00 1.00 C ATOM 145 C TYR A 11 60.820 4.631 -25.352 1.00 1.00 C ATOM 146 O TYR A 11 60.612 3.598 -24.717 1.00 1.00 O ATOM 147 CB TYR A 11 62.684 5.649 -26.657 1.00 1.00 C ATOM 148 CG TYR A 11 63.861 5.163 -27.470 1.00 1.00 C ATOM 149 CD1 TYR A 11 63.655 4.604 -28.737 1.00 1.00 C ATOM 150 CD2 TYR A 11 65.159 5.272 -26.955 1.00 1.00 C ATOM 151 CE1 TYR A 11 64.746 4.155 -29.490 1.00 1.00 C ATOM 152 CE2 TYR A 11 66.249 4.823 -27.708 1.00 1.00 C ATOM 153 CZ TYR A 11 66.044 4.264 -28.976 1.00 1.00 C ATOM 154 OH TYR A 11 67.119 3.821 -29.718 1.00 1.00 O ATOM 0 H TYR A 11 61.071 5.397 -28.547 1.00 1.00 H new ATOM 0 HA TYR A 11 62.021 3.604 -26.799 1.00 1.00 H new ATOM 0 HB2 TYR A 11 62.310 6.588 -27.065 1.00 1.00 H new ATOM 0 HB3 TYR A 11 62.995 5.849 -25.631 1.00 1.00 H new ATOM 0 HD1 TYR A 11 62.654 4.519 -29.133 1.00 1.00 H new ATOM 0 HD2 TYR A 11 65.318 5.702 -25.977 1.00 1.00 H new ATOM 0 HE1 TYR A 11 64.587 3.724 -30.468 1.00 1.00 H new ATOM 0 HE2 TYR A 11 67.250 4.907 -27.311 1.00 1.00 H new ATOM 0 HH TYR A 11 67.947 3.971 -29.216 1.00 1.00 H new ATOM 164 N GLY A 12 60.402 5.826 -24.949 1.00 1.00 N ATOM 165 CA GLY A 12 59.657 5.976 -23.706 1.00 1.00 C ATOM 166 C GLY A 12 58.484 5.005 -23.673 1.00 1.00 C ATOM 167 O GLY A 12 58.010 4.619 -22.606 1.00 1.00 O ATOM 0 H GLY A 12 60.564 6.695 -25.458 1.00 1.00 H new ATOM 0 HA2 GLY A 12 60.314 5.792 -22.856 1.00 1.00 H new ATOM 0 HA3 GLY A 12 59.294 6.999 -23.613 1.00 1.00 H new ATOM 171 N ALA A 13 58.026 4.614 -24.857 1.00 1.00 N ATOM 172 CA ALA A 13 56.911 3.683 -24.971 1.00 1.00 C ATOM 173 C ALA A 13 55.830 4.011 -23.947 1.00 1.00 C ATOM 174 O ALA A 13 54.930 4.809 -24.213 1.00 1.00 O ATOM 175 CB ALA A 13 57.407 2.253 -24.754 1.00 1.00 C ATOM 0 H ALA A 13 58.409 4.927 -25.749 1.00 1.00 H new ATOM 0 HA ALA A 13 56.485 3.774 -25.970 1.00 1.00 H new ATOM 0 HB1 ALA A 13 56.570 1.560 -24.840 1.00 1.00 H new ATOM 0 HB2 ALA A 13 58.158 2.010 -25.506 1.00 1.00 H new ATOM 0 HB3 ALA A 13 57.848 2.168 -23.761 1.00 1.00 H new ATOM 181 N ASP A 14 55.925 3.392 -22.774 1.00 1.00 N ATOM 182 CA ASP A 14 54.948 3.627 -21.717 1.00 1.00 C ATOM 183 C ASP A 14 54.786 5.122 -21.459 1.00 1.00 C ATOM 184 O ASP A 14 53.746 5.569 -20.977 1.00 1.00 O ATOM 185 CB ASP A 14 55.393 2.929 -20.431 1.00 1.00 C ATOM 186 CG ASP A 14 55.068 1.442 -20.505 1.00 1.00 C ATOM 187 OD1 ASP A 14 55.346 0.846 -21.533 1.00 1.00 O ATOM 188 OD2 ASP A 14 54.547 0.920 -19.533 1.00 1.00 O ATOM 0 H ASP A 14 56.662 2.729 -22.533 1.00 1.00 H new ATOM 0 HA ASP A 14 53.989 3.220 -22.037 1.00 1.00 H new ATOM 0 HB2 ASP A 14 56.464 3.069 -20.284 1.00 1.00 H new ATOM 0 HB3 ASP A 14 54.892 3.377 -19.573 1.00 1.00 H new ATOM 193 N ASN A 15 55.822 5.888 -21.783 1.00 1.00 N ATOM 194 CA ASN A 15 55.784 7.333 -21.580 1.00 1.00 C ATOM 195 C ASN A 15 54.452 7.905 -22.059 1.00 1.00 C ATOM 196 O ASN A 15 53.933 8.859 -21.480 1.00 1.00 O ATOM 197 CB ASN A 15 56.931 7.997 -22.344 1.00 1.00 C ATOM 198 CG ASN A 15 56.757 9.512 -22.330 1.00 1.00 C ATOM 199 OD1 ASN A 15 56.678 10.119 -21.262 1.00 1.00 O ATOM 200 ND2 ASN A 15 56.693 10.162 -23.460 1.00 1.00 N ATOM 0 H ASN A 15 56.692 5.537 -22.184 1.00 1.00 H new ATOM 0 HA ASN A 15 55.892 7.536 -20.515 1.00 1.00 H new ATOM 0 HB2 ASN A 15 57.885 7.728 -21.891 1.00 1.00 H new ATOM 0 HB3 ASN A 15 56.953 7.634 -23.372 1.00 1.00 H new ATOM 0 HD21 ASN A 15 56.577 11.175 -23.460 1.00 1.00 H new ATOM 0 HD22 ASN A 15 56.759 9.657 -24.344 1.00 1.00 H new ATOM 207 N GLN A 16 53.907 7.315 -23.118 1.00 1.00 N ATOM 208 CA GLN A 16 52.636 7.775 -23.665 1.00 1.00 C ATOM 209 C GLN A 16 51.500 6.857 -23.227 1.00 1.00 C ATOM 210 O GLN A 16 50.619 6.522 -24.018 1.00 1.00 O ATOM 211 CB GLN A 16 52.707 7.808 -25.193 1.00 1.00 C ATOM 212 CG GLN A 16 54.111 8.229 -25.631 1.00 1.00 C ATOM 213 CD GLN A 16 54.037 9.007 -26.940 1.00 1.00 C ATOM 214 OE1 GLN A 16 54.466 8.453 -28.041 1.00 1.00 O flip ATOM 215 NE2 GLN A 16 53.578 10.149 -26.961 1.00 1.00 N flip ATOM 0 H GLN A 16 54.321 6.524 -23.611 1.00 1.00 H new ATOM 0 HA GLN A 16 52.442 8.779 -23.288 1.00 1.00 H new ATOM 0 HB2 GLN A 16 52.467 6.826 -25.600 1.00 1.00 H new ATOM 0 HB3 GLN A 16 51.968 8.505 -25.587 1.00 1.00 H new ATOM 0 HG2 GLN A 16 54.573 8.844 -24.859 1.00 1.00 H new ATOM 0 HG3 GLN A 16 54.741 7.349 -25.757 1.00 1.00 H new ATOM 0 HE21 GLN A 16 53.243 10.580 -26.099 1.00 1.00 H new ATOM 0 HE22 GLN A 16 53.532 10.664 -27.840 1.00 1.00 H new ATOM 224 N SER A 17 51.528 6.452 -21.961 1.00 1.00 N ATOM 225 CA SER A 17 50.495 5.571 -21.429 1.00 1.00 C ATOM 226 C SER A 17 50.095 6.004 -20.021 1.00 1.00 C ATOM 227 O SER A 17 50.472 7.083 -19.564 1.00 1.00 O ATOM 228 CB SER A 17 51.003 4.130 -21.396 1.00 1.00 C ATOM 229 OG SER A 17 51.249 3.688 -22.725 1.00 1.00 O ATOM 0 H SER A 17 52.249 6.717 -21.290 1.00 1.00 H new ATOM 0 HA SER A 17 49.622 5.633 -22.078 1.00 1.00 H new ATOM 0 HB2 SER A 17 51.917 4.068 -20.805 1.00 1.00 H new ATOM 0 HB3 SER A 17 50.268 3.484 -20.916 1.00 1.00 H new ATOM 0 HG SER A 17 51.577 2.765 -22.707 1.00 1.00 H new ATOM 235 N GLU A 18 49.332 5.155 -19.341 1.00 1.00 N ATOM 236 CA GLU A 18 48.887 5.460 -17.986 1.00 1.00 C ATOM 237 C GLU A 18 50.025 6.070 -17.174 1.00 1.00 C ATOM 238 O GLU A 18 50.912 5.360 -16.700 1.00 1.00 O ATOM 239 CB GLU A 18 48.393 4.186 -17.299 1.00 1.00 C ATOM 240 CG GLU A 18 47.254 3.574 -18.117 1.00 1.00 C ATOM 241 CD GLU A 18 46.772 2.286 -17.458 1.00 1.00 C ATOM 242 OE1 GLU A 18 47.446 1.280 -17.606 1.00 1.00 O ATOM 243 OE2 GLU A 18 45.737 2.324 -16.814 1.00 1.00 O ATOM 0 H GLU A 18 49.011 4.257 -19.702 1.00 1.00 H new ATOM 0 HA GLU A 18 48.071 6.180 -18.045 1.00 1.00 H new ATOM 0 HB2 GLU A 18 49.211 3.472 -17.203 1.00 1.00 H new ATOM 0 HB3 GLU A 18 48.049 4.414 -16.290 1.00 1.00 H new ATOM 0 HG2 GLU A 18 46.430 4.283 -18.195 1.00 1.00 H new ATOM 0 HG3 GLU A 18 47.594 3.368 -19.132 1.00 1.00 H new ATOM 250 N CYS A 19 49.992 7.389 -17.017 1.00 1.00 N ATOM 251 CA CYS A 19 51.027 8.085 -16.259 1.00 1.00 C ATOM 252 C CYS A 19 50.474 9.372 -15.656 1.00 1.00 C ATOM 253 O CYS A 19 50.418 9.524 -14.436 1.00 1.00 O ATOM 254 CB CYS A 19 52.211 8.411 -17.170 1.00 1.00 C ATOM 255 SG CYS A 19 53.665 8.782 -16.159 1.00 1.00 S ATOM 0 H CYS A 19 49.266 7.994 -17.401 1.00 1.00 H new ATOM 0 HA CYS A 19 51.361 7.434 -15.451 1.00 1.00 H new ATOM 0 HB2 CYS A 19 52.419 7.569 -17.830 1.00 1.00 H new ATOM 0 HB3 CYS A 19 51.970 9.263 -17.806 1.00 1.00 H new ATOM 0 HG CYS A 19 54.673 9.057 -16.933 1.00 1.00 H new ATOM 261 N GLU A 20 50.070 10.298 -16.520 1.00 1.00 N ATOM 262 CA GLU A 20 49.524 11.570 -16.062 1.00 1.00 C ATOM 263 C GLU A 20 48.307 11.962 -16.894 1.00 1.00 C ATOM 264 O GLU A 20 47.823 13.091 -16.809 1.00 1.00 O ATOM 265 CB GLU A 20 50.589 12.663 -16.165 1.00 1.00 C ATOM 266 CG GLU A 20 51.865 12.202 -15.458 1.00 1.00 C ATOM 267 CD GLU A 20 51.576 11.933 -13.985 1.00 1.00 C ATOM 268 OE1 GLU A 20 50.873 12.728 -13.385 1.00 1.00 O ATOM 269 OE2 GLU A 20 52.064 10.936 -13.479 1.00 1.00 O ATOM 0 H GLU A 20 50.110 10.193 -17.534 1.00 1.00 H new ATOM 0 HA GLU A 20 49.218 11.459 -15.022 1.00 1.00 H new ATOM 0 HB2 GLU A 20 50.800 12.882 -17.212 1.00 1.00 H new ATOM 0 HB3 GLU A 20 50.223 13.585 -15.713 1.00 1.00 H new ATOM 0 HG2 GLU A 20 52.248 11.299 -15.933 1.00 1.00 H new ATOM 0 HG3 GLU A 20 52.639 12.964 -15.552 1.00 1.00 H new ATOM 276 N TYR A 21 47.819 11.023 -17.698 1.00 1.00 N ATOM 277 CA TYR A 21 46.658 11.282 -18.541 1.00 1.00 C ATOM 278 C TYR A 21 45.390 10.740 -17.890 1.00 1.00 C ATOM 279 O TYR A 21 44.352 10.614 -18.539 1.00 1.00 O ATOM 280 CB TYR A 21 46.851 10.628 -19.911 1.00 1.00 C ATOM 281 CG TYR A 21 47.826 11.442 -20.726 1.00 1.00 C ATOM 282 CD1 TYR A 21 49.198 11.171 -20.652 1.00 1.00 C ATOM 283 CD2 TYR A 21 47.359 12.468 -21.556 1.00 1.00 C ATOM 284 CE1 TYR A 21 50.102 11.926 -21.407 1.00 1.00 C ATOM 285 CE2 TYR A 21 48.264 13.224 -22.310 1.00 1.00 C ATOM 286 CZ TYR A 21 49.636 12.952 -22.236 1.00 1.00 C ATOM 287 OH TYR A 21 50.528 13.697 -22.981 1.00 1.00 O ATOM 0 H TYR A 21 48.206 10.083 -17.783 1.00 1.00 H new ATOM 0 HA TYR A 21 46.556 12.360 -18.664 1.00 1.00 H new ATOM 0 HB2 TYR A 21 47.222 9.610 -19.791 1.00 1.00 H new ATOM 0 HB3 TYR A 21 45.895 10.559 -20.431 1.00 1.00 H new ATOM 0 HD1 TYR A 21 49.558 10.379 -20.012 1.00 1.00 H new ATOM 0 HD2 TYR A 21 46.301 12.676 -21.615 1.00 1.00 H new ATOM 0 HE1 TYR A 21 51.160 11.717 -21.350 1.00 1.00 H new ATOM 0 HE2 TYR A 21 47.904 14.017 -22.949 1.00 1.00 H new ATOM 0 HH TYR A 21 50.039 14.367 -23.503 1.00 1.00 H new ATOM 297 N THR A 22 45.483 10.419 -16.603 1.00 1.00 N ATOM 298 CA THR A 22 44.336 9.890 -15.874 1.00 1.00 C ATOM 299 C THR A 22 44.647 9.796 -14.384 1.00 1.00 C ATOM 300 O THR A 22 43.786 10.056 -13.542 1.00 1.00 O ATOM 301 CB THR A 22 43.971 8.503 -16.409 1.00 1.00 C ATOM 302 OG1 THR A 22 42.834 8.014 -15.712 1.00 1.00 O ATOM 303 CG2 THR A 22 45.148 7.549 -16.204 1.00 1.00 C ATOM 0 H THR A 22 46.333 10.515 -16.048 1.00 1.00 H new ATOM 0 HA THR A 22 43.494 10.567 -16.017 1.00 1.00 H new ATOM 0 HB THR A 22 43.744 8.571 -17.473 1.00 1.00 H new ATOM 0 HG1 THR A 22 42.597 7.127 -16.054 1.00 1.00 H new ATOM 0 HG21 THR A 22 44.887 6.562 -16.585 1.00 1.00 H new ATOM 0 HG22 THR A 22 46.019 7.926 -16.739 1.00 1.00 H new ATOM 0 HG23 THR A 22 45.378 7.478 -15.141 1.00 1.00 H new ATOM 311 N ASP A 23 45.881 9.424 -14.063 1.00 1.00 N ATOM 312 CA ASP A 23 46.295 9.301 -12.670 1.00 1.00 C ATOM 313 C ASP A 23 46.471 10.677 -12.038 1.00 1.00 C ATOM 314 O ASP A 23 47.457 10.930 -11.345 1.00 1.00 O ATOM 315 CB ASP A 23 47.610 8.523 -12.582 1.00 1.00 C ATOM 316 CG ASP A 23 47.360 7.044 -12.857 1.00 1.00 C ATOM 317 OD1 ASP A 23 46.987 6.724 -13.973 1.00 1.00 O ATOM 318 OD2 ASP A 23 47.545 6.253 -11.947 1.00 1.00 O ATOM 0 H ASP A 23 46.608 9.204 -14.743 1.00 1.00 H new ATOM 0 HA ASP A 23 45.518 8.763 -12.127 1.00 1.00 H new ATOM 0 HB2 ASP A 23 48.326 8.919 -13.302 1.00 1.00 H new ATOM 0 HB3 ASP A 23 48.051 8.648 -11.593 1.00 1.00 H new ATOM 323 N TRP A 24 45.511 11.562 -12.283 1.00 1.00 N ATOM 324 CA TRP A 24 45.571 12.912 -11.732 1.00 1.00 C ATOM 325 C TRP A 24 44.176 13.525 -11.663 1.00 1.00 C ATOM 326 O TRP A 24 43.699 13.888 -10.588 1.00 1.00 O ATOM 327 CB TRP A 24 46.474 13.790 -12.600 1.00 1.00 C ATOM 328 CG TRP A 24 45.962 13.798 -14.004 1.00 1.00 C ATOM 329 CD1 TRP A 24 46.002 12.744 -14.852 1.00 1.00 C ATOM 330 CD2 TRP A 24 45.335 14.890 -14.738 1.00 1.00 C ATOM 331 NE1 TRP A 24 45.439 13.120 -16.058 1.00 1.00 N ATOM 332 CE2 TRP A 24 45.014 14.434 -16.038 1.00 1.00 C ATOM 333 CE3 TRP A 24 45.018 16.220 -14.404 1.00 1.00 C ATOM 334 CZ2 TRP A 24 44.399 15.265 -16.974 1.00 1.00 C ATOM 335 CZ3 TRP A 24 44.399 17.059 -15.345 1.00 1.00 C ATOM 336 CH2 TRP A 24 44.090 16.584 -16.627 1.00 1.00 C ATOM 0 H TRP A 24 44.688 11.372 -12.855 1.00 1.00 H new ATOM 0 HA TRP A 24 45.980 12.855 -10.723 1.00 1.00 H new ATOM 0 HB2 TRP A 24 46.500 14.806 -12.205 1.00 1.00 H new ATOM 0 HB3 TRP A 24 47.497 13.413 -12.577 1.00 1.00 H new ATOM 0 HD1 TRP A 24 46.407 11.769 -14.624 1.00 1.00 H new ATOM 0 HE1 TRP A 24 45.349 12.502 -16.864 1.00 1.00 H new ATOM 0 HE3 TRP A 24 45.252 16.597 -13.419 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 44.163 14.893 -17.960 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 44.159 18.078 -15.079 1.00 1.00 H new ATOM 0 HH2 TRP A 24 43.614 17.235 -17.345 1.00 1.00 H new ATOM 347 N LYS A 25 43.527 13.636 -12.818 1.00 1.00 N ATOM 348 CA LYS A 25 42.187 14.207 -12.877 1.00 1.00 C ATOM 349 C LYS A 25 42.086 15.435 -11.977 1.00 1.00 C ATOM 350 O LYS A 25 42.383 16.553 -12.400 1.00 1.00 O ATOM 351 CB LYS A 25 41.155 13.165 -12.438 1.00 1.00 C ATOM 352 CG LYS A 25 41.054 12.068 -13.499 1.00 1.00 C ATOM 353 CD LYS A 25 40.981 10.701 -12.816 1.00 1.00 C ATOM 354 CE LYS A 25 40.852 9.606 -13.877 1.00 1.00 C ATOM 355 NZ LYS A 25 40.985 8.270 -13.230 1.00 1.00 N ATOM 0 H LYS A 25 43.904 13.341 -13.719 1.00 1.00 H new ATOM 0 HA LYS A 25 41.986 14.507 -13.906 1.00 1.00 H new ATOM 0 HB2 LYS A 25 41.444 12.733 -11.480 1.00 1.00 H new ATOM 0 HB3 LYS A 25 40.183 13.638 -12.295 1.00 1.00 H new ATOM 0 HG2 LYS A 25 40.170 12.225 -14.117 1.00 1.00 H new ATOM 0 HG3 LYS A 25 41.918 12.109 -14.163 1.00 1.00 H new ATOM 0 HD2 LYS A 25 41.874 10.535 -12.214 1.00 1.00 H new ATOM 0 HD3 LYS A 25 40.129 10.667 -12.137 1.00 1.00 H new ATOM 0 HE2 LYS A 25 39.888 9.684 -14.380 1.00 1.00 H new ATOM 0 HE3 LYS A 25 41.621 9.731 -14.639 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 41.644 7.682 -13.779 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 41.349 8.387 -12.263 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 40.054 7.807 -13.195 1.00 1.00 H new ATOM 369 N SER A 26 41.667 15.219 -10.735 1.00 1.00 N ATOM 370 CA SER A 26 41.531 16.317 -9.784 1.00 1.00 C ATOM 371 C SER A 26 42.790 16.449 -8.934 1.00 1.00 C ATOM 372 O SER A 26 43.603 17.348 -9.148 1.00 1.00 O ATOM 373 CB SER A 26 40.325 16.073 -8.875 1.00 1.00 C ATOM 374 OG SER A 26 39.133 16.150 -9.647 1.00 1.00 O ATOM 0 H SER A 26 41.417 14.302 -10.365 1.00 1.00 H new ATOM 0 HA SER A 26 41.385 17.241 -10.343 1.00 1.00 H new ATOM 0 HB2 SER A 26 40.403 15.094 -8.402 1.00 1.00 H new ATOM 0 HB3 SER A 26 40.302 16.813 -8.075 1.00 1.00 H new ATOM 0 HG SER A 26 38.738 15.257 -9.729 1.00 1.00 H new ATOM 380 N SER A 27 42.946 15.546 -7.970 1.00 1.00 N ATOM 381 CA SER A 27 44.111 15.573 -7.095 1.00 1.00 C ATOM 382 C SER A 27 44.033 16.755 -6.134 1.00 1.00 C ATOM 383 O SER A 27 44.789 16.832 -5.166 1.00 1.00 O ATOM 384 CB SER A 27 45.389 15.675 -7.929 1.00 1.00 C ATOM 385 OG SER A 27 45.121 15.238 -9.254 1.00 1.00 O ATOM 0 H SER A 27 42.286 14.793 -7.777 1.00 1.00 H new ATOM 0 HA SER A 27 44.128 14.649 -6.516 1.00 1.00 H new ATOM 0 HB2 SER A 27 45.749 16.704 -7.939 1.00 1.00 H new ATOM 0 HB3 SER A 27 46.176 15.066 -7.485 1.00 1.00 H new ATOM 0 HG SER A 27 44.523 14.462 -9.228 1.00 1.00 H new ATOM 391 N GLY A 28 43.113 17.674 -6.409 1.00 1.00 N ATOM 392 CA GLY A 28 42.944 18.849 -5.563 1.00 1.00 C ATOM 393 C GLY A 28 41.482 19.279 -5.513 1.00 1.00 C ATOM 394 O GLY A 28 41.162 20.370 -5.044 1.00 1.00 O ATOM 0 H GLY A 28 42.477 17.628 -7.205 1.00 1.00 H new ATOM 0 HA2 GLY A 28 43.297 18.630 -4.555 1.00 1.00 H new ATOM 0 HA3 GLY A 28 43.555 19.667 -5.944 1.00 1.00 H new ATOM 398 N ALA A 29 40.599 18.412 -6.002 1.00 1.00 N ATOM 399 CA ALA A 29 39.171 18.710 -6.010 1.00 1.00 C ATOM 400 C ALA A 29 38.368 17.507 -5.526 1.00 1.00 C ATOM 401 O ALA A 29 37.139 17.548 -5.483 1.00 1.00 O ATOM 402 CB ALA A 29 38.726 19.087 -7.425 1.00 1.00 C ATOM 0 H ALA A 29 40.846 17.504 -6.395 1.00 1.00 H new ATOM 0 HA ALA A 29 38.990 19.547 -5.336 1.00 1.00 H new ATOM 0 HB1 ALA A 29 37.659 19.308 -7.424 1.00 1.00 H new ATOM 0 HB2 ALA A 29 39.278 19.966 -7.758 1.00 1.00 H new ATOM 0 HB3 ALA A 29 38.924 18.256 -8.102 1.00 1.00 H new ATOM 408 N LEU A 30 39.075 16.439 -5.164 1.00 1.00 N ATOM 409 CA LEU A 30 38.424 15.223 -4.682 1.00 1.00 C ATOM 410 C LEU A 30 38.971 14.830 -3.313 1.00 1.00 C ATOM 411 O LEU A 30 38.337 14.074 -2.576 1.00 1.00 O ATOM 412 CB LEU A 30 38.656 14.081 -5.673 1.00 1.00 C ATOM 413 CG LEU A 30 37.350 13.767 -6.405 1.00 1.00 C ATOM 414 CD1 LEU A 30 36.866 15.015 -7.147 1.00 1.00 C ATOM 415 CD2 LEU A 30 37.588 12.638 -7.411 1.00 1.00 C ATOM 0 H LEU A 30 40.093 16.390 -5.195 1.00 1.00 H new ATOM 0 HA LEU A 30 37.355 15.415 -4.592 1.00 1.00 H new ATOM 0 HB2 LEU A 30 39.429 14.359 -6.389 1.00 1.00 H new ATOM 0 HB3 LEU A 30 39.012 13.195 -5.147 1.00 1.00 H new ATOM 0 HG LEU A 30 36.595 13.458 -5.682 1.00 1.00 H new ATOM 0 HD11 LEU A 30 35.935 14.790 -7.668 1.00 1.00 H new ATOM 0 HD12 LEU A 30 36.696 15.820 -6.432 1.00 1.00 H new ATOM 0 HD13 LEU A 30 37.621 15.324 -7.870 1.00 1.00 H new ATOM 0 HD21 LEU A 30 36.658 12.414 -7.933 1.00 1.00 H new ATOM 0 HD22 LEU A 30 38.344 12.947 -8.133 1.00 1.00 H new ATOM 0 HD23 LEU A 30 37.932 11.748 -6.884 1.00 1.00 H new ATOM 427 N ILE A 31 40.148 15.348 -2.979 1.00 1.00 N ATOM 428 CA ILE A 31 40.768 15.043 -1.695 1.00 1.00 C ATOM 429 C ILE A 31 40.351 16.056 -0.624 1.00 1.00 C ATOM 430 O ILE A 31 40.117 15.681 0.525 1.00 1.00 O ATOM 431 CB ILE A 31 42.294 15.035 -1.829 1.00 1.00 C ATOM 432 CG1 ILE A 31 42.691 14.844 -3.300 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.876 13.893 -0.992 1.00 1.00 C ATOM 434 CD1 ILE A 31 42.027 13.587 -3.873 1.00 1.00 C ATOM 0 H ILE A 31 40.688 15.976 -3.574 1.00 1.00 H new ATOM 0 HA ILE A 31 40.427 14.055 -1.388 1.00 1.00 H new ATOM 0 HB ILE A 31 42.687 15.987 -1.473 1.00 1.00 H new ATOM 0 HG12 ILE A 31 42.393 15.717 -3.880 1.00 1.00 H new ATOM 0 HG13 ILE A 31 43.775 14.761 -3.383 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.962 13.888 -1.088 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.605 14.034 0.054 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.476 12.943 -1.345 1.00 1.00 H new ATOM 0 HD11 ILE A 31 42.318 13.465 -4.916 1.00 1.00 H new ATOM 0 HD12 ILE A 31 42.347 12.715 -3.303 1.00 1.00 H new ATOM 0 HD13 ILE A 31 40.943 13.686 -3.808 1.00 1.00 H new ATOM 446 N PRO A 32 40.257 17.319 -0.966 1.00 1.00 N ATOM 447 CA PRO A 32 39.864 18.377 -0.002 1.00 1.00 C ATOM 448 C PRO A 32 38.349 18.537 0.091 1.00 1.00 C ATOM 449 O PRO A 32 37.852 19.552 0.579 1.00 1.00 O ATOM 450 CB PRO A 32 40.516 19.633 -0.579 1.00 1.00 C ATOM 451 CG PRO A 32 40.631 19.397 -2.055 1.00 1.00 C ATOM 452 CD PRO A 32 40.510 17.886 -2.299 1.00 1.00 C ATOM 0 HA PRO A 32 40.181 18.152 1.016 1.00 1.00 H new ATOM 0 HB2 PRO A 32 39.913 20.517 -0.371 1.00 1.00 H new ATOM 0 HB3 PRO A 32 41.496 19.804 -0.134 1.00 1.00 H new ATOM 0 HG2 PRO A 32 39.848 19.934 -2.590 1.00 1.00 H new ATOM 0 HG3 PRO A 32 41.585 19.769 -2.428 1.00 1.00 H new ATOM 0 HD2 PRO A 32 39.697 17.659 -2.988 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.422 17.480 -2.737 1.00 1.00 H new ATOM 460 N ALA A 33 37.625 17.529 -0.380 1.00 1.00 N ATOM 461 CA ALA A 33 36.166 17.564 -0.345 1.00 1.00 C ATOM 462 C ALA A 33 35.610 16.221 0.118 1.00 1.00 C ATOM 463 O ALA A 33 34.397 16.022 0.163 1.00 1.00 O ATOM 464 CB ALA A 33 35.619 17.893 -1.735 1.00 1.00 C ATOM 0 H ALA A 33 38.020 16.682 -0.788 1.00 1.00 H new ATOM 0 HA ALA A 33 35.856 18.336 0.359 1.00 1.00 H new ATOM 0 HB1 ALA A 33 34.530 17.917 -1.701 1.00 1.00 H new ATOM 0 HB2 ALA A 33 35.994 18.866 -2.053 1.00 1.00 H new ATOM 0 HB3 ALA A 33 35.943 17.130 -2.443 1.00 1.00 H new ATOM 470 N ILE A 34 36.508 15.302 0.462 1.00 1.00 N ATOM 471 CA ILE A 34 36.099 13.980 0.922 1.00 1.00 C ATOM 472 C ILE A 34 36.929 13.552 2.128 1.00 1.00 C ATOM 473 O ILE A 34 36.393 13.046 3.114 1.00 1.00 O ATOM 474 CB ILE A 34 36.270 12.960 -0.205 1.00 1.00 C ATOM 475 CG1 ILE A 34 35.623 13.501 -1.483 1.00 1.00 C ATOM 476 CG2 ILE A 34 35.594 11.646 0.190 1.00 1.00 C ATOM 477 CD1 ILE A 34 35.817 12.494 -2.618 1.00 1.00 C ATOM 0 H ILE A 34 37.517 15.448 0.431 1.00 1.00 H new ATOM 0 HA ILE A 34 35.050 14.026 1.215 1.00 1.00 H new ATOM 0 HB ILE A 34 37.332 12.785 -0.379 1.00 1.00 H new ATOM 0 HG12 ILE A 34 34.560 13.679 -1.318 1.00 1.00 H new ATOM 0 HG13 ILE A 34 36.069 14.459 -1.752 1.00 1.00 H new ATOM 0 HG21 ILE A 34 35.715 10.919 -0.613 1.00 1.00 H new ATOM 0 HG22 ILE A 34 36.052 11.261 1.101 1.00 1.00 H new ATOM 0 HG23 ILE A 34 34.532 11.821 0.364 1.00 1.00 H new ATOM 0 HD11 ILE A 34 35.357 12.878 -3.528 1.00 1.00 H new ATOM 0 HD12 ILE A 34 36.882 12.338 -2.788 1.00 1.00 H new ATOM 0 HD13 ILE A 34 35.350 11.547 -2.348 1.00 1.00 H new ATOM 489 N TYR A 35 38.239 13.759 2.043 1.00 1.00 N ATOM 490 CA TYR A 35 39.134 13.391 3.134 1.00 1.00 C ATOM 491 C TYR A 35 39.205 14.510 4.168 1.00 1.00 C ATOM 492 O TYR A 35 39.478 14.266 5.343 1.00 1.00 O ATOM 493 CB TYR A 35 40.534 13.106 2.589 1.00 1.00 C ATOM 494 CG TYR A 35 41.565 13.760 3.477 1.00 1.00 C ATOM 495 CD1 TYR A 35 41.980 15.072 3.220 1.00 1.00 C ATOM 496 CD2 TYR A 35 42.106 13.054 4.559 1.00 1.00 C ATOM 497 CE1 TYR A 35 42.936 15.678 4.043 1.00 1.00 C ATOM 498 CE2 TYR A 35 43.062 13.660 5.383 1.00 1.00 C ATOM 499 CZ TYR A 35 43.478 14.972 5.125 1.00 1.00 C ATOM 500 OH TYR A 35 44.420 15.569 5.937 1.00 1.00 O ATOM 0 H TYR A 35 38.702 14.177 1.236 1.00 1.00 H new ATOM 0 HA TYR A 35 38.743 12.493 3.613 1.00 1.00 H new ATOM 0 HB2 TYR A 35 40.706 12.031 2.545 1.00 1.00 H new ATOM 0 HB3 TYR A 35 40.623 13.485 1.571 1.00 1.00 H new ATOM 0 HD1 TYR A 35 41.562 15.617 2.386 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.786 12.042 4.758 1.00 1.00 H new ATOM 0 HE1 TYR A 35 43.256 16.690 3.844 1.00 1.00 H new ATOM 0 HE2 TYR A 35 43.479 13.116 6.218 1.00 1.00 H new ATOM 0 HH TYR A 35 44.691 14.942 6.640 1.00 1.00 H new ATOM 510 N MET A 36 38.958 15.738 3.722 1.00 1.00 N ATOM 511 CA MET A 36 38.996 16.887 4.619 1.00 1.00 C ATOM 512 C MET A 36 37.686 17.007 5.391 1.00 1.00 C ATOM 513 O MET A 36 37.678 17.385 6.563 1.00 1.00 O ATOM 514 CB MET A 36 39.236 18.168 3.816 1.00 1.00 C ATOM 515 CG MET A 36 39.230 19.371 4.761 1.00 1.00 C ATOM 516 SD MET A 36 40.641 20.439 4.385 1.00 1.00 S ATOM 517 CE MET A 36 39.774 21.581 3.282 1.00 1.00 C ATOM 0 H MET A 36 38.731 15.962 2.753 1.00 1.00 H new ATOM 0 HA MET A 36 39.811 16.744 5.328 1.00 1.00 H new ATOM 0 HB2 MET A 36 40.190 18.108 3.292 1.00 1.00 H new ATOM 0 HB3 MET A 36 38.462 18.284 3.057 1.00 1.00 H new ATOM 0 HG2 MET A 36 38.299 19.928 4.652 1.00 1.00 H new ATOM 0 HG3 MET A 36 39.281 19.034 5.796 1.00 1.00 H new ATOM 0 HE1 MET A 36 40.470 22.340 2.924 1.00 1.00 H new ATOM 0 HE2 MET A 36 39.370 21.030 2.433 1.00 1.00 H new ATOM 0 HE3 MET A 36 38.959 22.062 3.824 1.00 1.00 H new ATOM 527 N LEU A 37 36.581 16.681 4.728 1.00 1.00 N ATOM 528 CA LEU A 37 35.271 16.755 5.364 1.00 1.00 C ATOM 529 C LEU A 37 35.075 15.588 6.326 1.00 1.00 C ATOM 530 O LEU A 37 33.957 15.113 6.519 1.00 1.00 O ATOM 531 CB LEU A 37 34.172 16.732 4.300 1.00 1.00 C ATOM 532 CG LEU A 37 34.551 17.671 3.153 1.00 1.00 C ATOM 533 CD1 LEU A 37 33.376 17.787 2.180 1.00 1.00 C ATOM 534 CD2 LEU A 37 34.885 19.054 3.715 1.00 1.00 C ATOM 0 H LEU A 37 36.566 16.365 3.758 1.00 1.00 H new ATOM 0 HA LEU A 37 35.213 17.687 5.926 1.00 1.00 H new ATOM 0 HB2 LEU A 37 34.037 15.718 3.924 1.00 1.00 H new ATOM 0 HB3 LEU A 37 33.222 17.040 4.737 1.00 1.00 H new ATOM 0 HG LEU A 37 35.420 17.272 2.629 1.00 1.00 H new ATOM 0 HD11 LEU A 37 33.645 18.456 1.363 1.00 1.00 H new ATOM 0 HD12 LEU A 37 33.137 16.802 1.779 1.00 1.00 H new ATOM 0 HD13 LEU A 37 32.508 18.186 2.704 1.00 1.00 H new ATOM 0 HD21 LEU A 37 35.155 19.723 2.898 1.00 1.00 H new ATOM 0 HD22 LEU A 37 34.017 19.453 4.239 1.00 1.00 H new ATOM 0 HD23 LEU A 37 35.722 18.972 4.409 1.00 1.00 H new ATOM 546 N VAL A 38 36.170 15.133 6.926 1.00 1.00 N ATOM 547 CA VAL A 38 36.107 14.021 7.867 1.00 1.00 C ATOM 548 C VAL A 38 37.020 14.278 9.061 1.00 1.00 C ATOM 549 O VAL A 38 36.780 13.774 10.159 1.00 1.00 O ATOM 550 CB VAL A 38 36.524 12.723 7.173 1.00 1.00 C ATOM 551 CG1 VAL A 38 36.526 11.579 8.189 1.00 1.00 C ATOM 552 CG2 VAL A 38 35.533 12.406 6.051 1.00 1.00 C ATOM 0 H VAL A 38 37.105 15.514 6.779 1.00 1.00 H new ATOM 0 HA VAL A 38 35.081 13.928 8.222 1.00 1.00 H new ATOM 0 HB VAL A 38 37.524 12.839 6.755 1.00 1.00 H new ATOM 0 HG11 VAL A 38 36.823 10.654 7.695 1.00 1.00 H new ATOM 0 HG12 VAL A 38 37.230 11.805 8.990 1.00 1.00 H new ATOM 0 HG13 VAL A 38 35.526 11.462 8.607 1.00 1.00 H new ATOM 0 HG21 VAL A 38 35.828 11.481 5.555 1.00 1.00 H new ATOM 0 HG22 VAL A 38 34.534 12.290 6.470 1.00 1.00 H new ATOM 0 HG23 VAL A 38 35.530 13.221 5.327 1.00 1.00 H new ATOM 562 N PHE A 39 38.066 15.067 8.841 1.00 1.00 N ATOM 563 CA PHE A 39 39.008 15.387 9.907 1.00 1.00 C ATOM 564 C PHE A 39 38.345 16.276 10.954 1.00 1.00 C ATOM 565 O PHE A 39 38.785 16.335 12.102 1.00 1.00 O ATOM 566 CB PHE A 39 40.231 16.101 9.328 1.00 1.00 C ATOM 567 CG PHE A 39 40.940 16.857 10.425 1.00 1.00 C ATOM 568 CD1 PHE A 39 41.353 16.184 11.581 1.00 1.00 C ATOM 569 CD2 PHE A 39 41.185 18.229 10.289 1.00 1.00 C ATOM 570 CE1 PHE A 39 42.011 16.884 12.602 1.00 1.00 C ATOM 571 CE2 PHE A 39 41.843 18.928 11.308 1.00 1.00 C ATOM 572 CZ PHE A 39 42.256 18.255 12.464 1.00 1.00 C ATOM 0 H PHE A 39 38.282 15.494 7.940 1.00 1.00 H new ATOM 0 HA PHE A 39 39.323 14.457 10.381 1.00 1.00 H new ATOM 0 HB2 PHE A 39 40.908 15.376 8.875 1.00 1.00 H new ATOM 0 HB3 PHE A 39 39.925 16.787 8.539 1.00 1.00 H new ATOM 0 HD1 PHE A 39 41.165 15.126 11.686 1.00 1.00 H new ATOM 0 HD2 PHE A 39 40.866 18.748 9.397 1.00 1.00 H new ATOM 0 HE1 PHE A 39 42.329 16.366 13.495 1.00 1.00 H new ATOM 0 HE2 PHE A 39 42.032 19.986 11.202 1.00 1.00 H new ATOM 0 HZ PHE A 39 42.764 18.794 13.250 1.00 1.00 H new ATOM 582 N LEU A 40 37.283 16.963 10.548 1.00 1.00 N ATOM 583 CA LEU A 40 36.562 17.848 11.456 1.00 1.00 C ATOM 584 C LEU A 40 35.057 17.665 11.291 1.00 1.00 C ATOM 585 O LEU A 40 34.265 18.297 11.989 1.00 1.00 O ATOM 586 CB LEU A 40 36.936 19.303 11.174 1.00 1.00 C ATOM 587 CG LEU A 40 36.625 19.637 9.714 1.00 1.00 C ATOM 588 CD1 LEU A 40 35.591 20.763 9.656 1.00 1.00 C ATOM 589 CD2 LEU A 40 37.908 20.086 9.010 1.00 1.00 C ATOM 0 H LEU A 40 36.904 16.925 9.602 1.00 1.00 H new ATOM 0 HA LEU A 40 36.839 17.596 12.480 1.00 1.00 H new ATOM 0 HB2 LEU A 40 36.380 19.967 11.836 1.00 1.00 H new ATOM 0 HB3 LEU A 40 37.995 19.463 11.377 1.00 1.00 H new ATOM 0 HG LEU A 40 36.227 18.753 9.216 1.00 1.00 H new ATOM 0 HD11 LEU A 40 35.370 21.001 8.615 1.00 1.00 H new ATOM 0 HD12 LEU A 40 34.677 20.444 10.158 1.00 1.00 H new ATOM 0 HD13 LEU A 40 35.988 21.648 10.154 1.00 1.00 H new ATOM 0 HD21 LEU A 40 37.688 20.324 7.969 1.00 1.00 H new ATOM 0 HD22 LEU A 40 38.306 20.970 9.508 1.00 1.00 H new ATOM 0 HD23 LEU A 40 38.645 19.284 9.050 1.00 1.00 H new ATOM 601 N LEU A 41 34.671 16.797 10.361 1.00 1.00 N ATOM 602 CA LEU A 41 33.259 16.537 10.110 1.00 1.00 C ATOM 603 C LEU A 41 33.052 15.084 9.689 1.00 1.00 C ATOM 604 O LEU A 41 32.746 14.801 8.532 1.00 1.00 O ATOM 605 CB LEU A 41 32.746 17.471 9.009 1.00 1.00 C ATOM 606 CG LEU A 41 31.221 17.349 8.887 1.00 1.00 C ATOM 607 CD1 LEU A 41 30.541 17.863 10.161 1.00 1.00 C ATOM 608 CD2 LEU A 41 30.744 18.179 7.692 1.00 1.00 C ATOM 0 H LEU A 41 35.312 16.265 9.772 1.00 1.00 H new ATOM 0 HA LEU A 41 32.702 16.720 11.029 1.00 1.00 H new ATOM 0 HB2 LEU A 41 33.020 18.501 9.237 1.00 1.00 H new ATOM 0 HB3 LEU A 41 33.217 17.219 8.059 1.00 1.00 H new ATOM 0 HG LEU A 41 30.960 16.300 8.744 1.00 1.00 H new ATOM 0 HD11 LEU A 41 29.460 17.770 10.059 1.00 1.00 H new ATOM 0 HD12 LEU A 41 30.877 17.275 11.015 1.00 1.00 H new ATOM 0 HD13 LEU A 41 30.802 18.910 10.316 1.00 1.00 H new ATOM 0 HD21 LEU A 41 29.661 18.096 7.600 1.00 1.00 H new ATOM 0 HD22 LEU A 41 31.016 19.224 7.843 1.00 1.00 H new ATOM 0 HD23 LEU A 41 31.215 17.809 6.781 1.00 1.00 H new ATOM 620 N GLY A 42 33.222 14.169 10.638 1.00 1.00 N ATOM 621 CA GLY A 42 33.053 12.749 10.353 1.00 1.00 C ATOM 622 C GLY A 42 33.568 11.897 11.508 1.00 1.00 C ATOM 623 O GLY A 42 33.141 10.758 11.690 1.00 1.00 O ATOM 0 H GLY A 42 33.474 14.383 11.603 1.00 1.00 H new ATOM 0 HA2 GLY A 42 31.999 12.532 10.178 1.00 1.00 H new ATOM 0 HA3 GLY A 42 33.588 12.491 9.439 1.00 1.00 H new ATOM 627 N THR A 43 34.491 12.458 12.284 1.00 1.00 N ATOM 628 CA THR A 43 35.058 11.739 13.419 1.00 1.00 C ATOM 629 C THR A 43 35.233 12.673 14.611 1.00 1.00 C ATOM 630 O THR A 43 35.160 12.246 15.764 1.00 1.00 O ATOM 631 CB THR A 43 36.414 11.141 13.034 1.00 1.00 C ATOM 632 OG1 THR A 43 36.725 10.071 13.915 1.00 1.00 O ATOM 633 CG2 THR A 43 37.496 12.217 13.132 1.00 1.00 C ATOM 0 H THR A 43 34.859 13.400 12.149 1.00 1.00 H new ATOM 0 HA THR A 43 34.373 10.938 13.697 1.00 1.00 H new ATOM 0 HB THR A 43 36.369 10.768 12.011 1.00 1.00 H new ATOM 0 HG1 THR A 43 37.592 9.686 13.669 1.00 1.00 H new ATOM 0 HG21 THR A 43 38.460 11.789 12.858 1.00 1.00 H new ATOM 0 HG22 THR A 43 37.257 13.037 12.454 1.00 1.00 H new ATOM 0 HG23 THR A 43 37.544 12.593 14.154 1.00 1.00 H new ATOM 641 N THR A 44 35.464 13.951 14.327 1.00 1.00 N ATOM 642 CA THR A 44 35.648 14.938 15.384 1.00 1.00 C ATOM 643 C THR A 44 34.370 15.089 16.205 1.00 1.00 C ATOM 644 O THR A 44 34.365 15.737 17.251 1.00 1.00 O ATOM 645 CB THR A 44 36.029 16.289 14.777 1.00 1.00 C ATOM 646 OG1 THR A 44 37.371 16.236 14.315 1.00 1.00 O ATOM 647 CG2 THR A 44 35.894 17.385 15.835 1.00 1.00 C ATOM 0 H THR A 44 35.528 14.325 13.380 1.00 1.00 H new ATOM 0 HA THR A 44 36.449 14.596 16.039 1.00 1.00 H new ATOM 0 HB THR A 44 35.365 16.512 13.942 1.00 1.00 H new ATOM 0 HG1 THR A 44 37.384 15.939 13.381 1.00 1.00 H new ATOM 0 HG21 THR A 44 36.166 18.346 15.400 1.00 1.00 H new ATOM 0 HG22 THR A 44 34.863 17.425 16.188 1.00 1.00 H new ATOM 0 HG23 THR A 44 36.556 17.166 16.673 1.00 1.00 H new ATOM 655 N GLY A 45 33.289 14.483 15.723 1.00 1.00 N ATOM 656 CA GLY A 45 32.010 14.556 16.420 1.00 1.00 C ATOM 657 C GLY A 45 32.202 14.414 17.925 1.00 1.00 C ATOM 658 O GLY A 45 31.572 15.121 18.711 1.00 1.00 O ATOM 0 H GLY A 45 33.273 13.940 14.860 1.00 1.00 H new ATOM 0 HA2 GLY A 45 31.525 15.507 16.199 1.00 1.00 H new ATOM 0 HA3 GLY A 45 31.348 13.769 16.058 1.00 1.00 H new ATOM 662 N ASN A 46 33.077 13.494 18.319 1.00 1.00 N ATOM 663 CA ASN A 46 33.347 13.262 19.734 1.00 1.00 C ATOM 664 C ASN A 46 34.689 13.871 20.129 1.00 1.00 C ATOM 665 O ASN A 46 35.025 13.940 21.311 1.00 1.00 O ATOM 666 CB ASN A 46 33.361 11.760 20.021 1.00 1.00 C ATOM 667 CG ASN A 46 33.726 11.512 21.481 1.00 1.00 C ATOM 668 OD1 ASN A 46 34.975 11.570 21.851 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 32.847 11.259 22.306 1.00 1.00 N flip ATOM 0 H ASN A 46 33.609 12.900 17.683 1.00 1.00 H new ATOM 0 HA ASN A 46 32.560 13.737 20.320 1.00 1.00 H new ATOM 0 HB2 ASN A 46 32.383 11.331 19.804 1.00 1.00 H new ATOM 0 HB3 ASN A 46 34.079 11.263 19.368 1.00 1.00 H new ATOM 0 HD21 ASN A 46 31.871 11.214 22.014 1.00 1.00 H new ATOM 0 HD22 ASN A 46 33.095 11.094 23.281 1.00 1.00 H new ATOM 676 N GLY A 47 35.450 14.309 19.132 1.00 1.00 N ATOM 677 CA GLY A 47 36.755 14.910 19.388 1.00 1.00 C ATOM 678 C GLY A 47 36.605 16.303 19.988 1.00 1.00 C ATOM 679 O GLY A 47 37.378 17.209 19.680 1.00 1.00 O ATOM 0 H GLY A 47 35.189 14.260 18.147 1.00 1.00 H new ATOM 0 HA2 GLY A 47 37.324 14.276 20.068 1.00 1.00 H new ATOM 0 HA3 GLY A 47 37.321 14.969 18.458 1.00 1.00 H new ATOM 683 N LEU A 48 35.601 16.468 20.845 1.00 1.00 N ATOM 684 CA LEU A 48 35.358 17.756 21.481 1.00 1.00 C ATOM 685 C LEU A 48 35.947 17.779 22.888 1.00 1.00 C ATOM 686 O LEU A 48 35.910 18.803 23.570 1.00 1.00 O ATOM 687 CB LEU A 48 33.851 18.019 21.558 1.00 1.00 C ATOM 688 CG LEU A 48 33.341 18.571 20.220 1.00 1.00 C ATOM 689 CD1 LEU A 48 33.869 19.993 19.989 1.00 1.00 C ATOM 690 CD2 LEU A 48 33.815 17.665 19.081 1.00 1.00 C ATOM 0 H LEU A 48 34.948 15.731 21.112 1.00 1.00 H new ATOM 0 HA LEU A 48 35.838 18.532 20.884 1.00 1.00 H new ATOM 0 HB2 LEU A 48 33.325 17.096 21.803 1.00 1.00 H new ATOM 0 HB3 LEU A 48 33.639 18.729 22.357 1.00 1.00 H new ATOM 0 HG LEU A 48 32.252 18.598 20.245 1.00 1.00 H new ATOM 0 HD11 LEU A 48 33.497 20.369 19.036 1.00 1.00 H new ATOM 0 HD12 LEU A 48 33.526 20.644 20.794 1.00 1.00 H new ATOM 0 HD13 LEU A 48 34.959 19.978 19.973 1.00 1.00 H new ATOM 0 HD21 LEU A 48 33.453 18.056 18.130 1.00 1.00 H new ATOM 0 HD22 LEU A 48 34.905 17.634 19.070 1.00 1.00 H new ATOM 0 HD23 LEU A 48 33.425 16.658 19.231 1.00 1.00 H new ATOM 702 N VAL A 49 36.486 16.644 23.319 1.00 1.00 N ATOM 703 CA VAL A 49 37.077 16.550 24.650 1.00 1.00 C ATOM 704 C VAL A 49 38.593 16.705 24.582 1.00 1.00 C ATOM 705 O VAL A 49 39.216 17.206 25.518 1.00 1.00 O ATOM 706 CB VAL A 49 36.726 15.204 25.289 1.00 1.00 C ATOM 707 CG1 VAL A 49 35.392 15.321 26.028 1.00 1.00 C ATOM 708 CG2 VAL A 49 36.611 14.133 24.201 1.00 1.00 C ATOM 0 H VAL A 49 36.526 15.784 22.773 1.00 1.00 H new ATOM 0 HA VAL A 49 36.670 17.357 25.260 1.00 1.00 H new ATOM 0 HB VAL A 49 37.510 14.924 25.993 1.00 1.00 H new ATOM 0 HG11 VAL A 49 35.143 14.362 26.483 1.00 1.00 H new ATOM 0 HG12 VAL A 49 35.472 16.081 26.805 1.00 1.00 H new ATOM 0 HG13 VAL A 49 34.609 15.603 25.324 1.00 1.00 H new ATOM 0 HG21 VAL A 49 36.361 13.175 24.658 1.00 1.00 H new ATOM 0 HG22 VAL A 49 35.829 14.414 23.496 1.00 1.00 H new ATOM 0 HG23 VAL A 49 37.561 14.046 23.674 1.00 1.00 H new ATOM 718 N LEU A 50 39.183 16.274 23.472 1.00 1.00 N ATOM 719 CA LEU A 50 40.628 16.376 23.302 1.00 1.00 C ATOM 720 C LEU A 50 40.987 17.640 22.528 1.00 1.00 C ATOM 721 O LEU A 50 42.152 17.870 22.201 1.00 1.00 O ATOM 722 CB LEU A 50 41.165 15.148 22.560 1.00 1.00 C ATOM 723 CG LEU A 50 40.142 14.675 21.524 1.00 1.00 C ATOM 724 CD1 LEU A 50 39.801 15.825 20.575 1.00 1.00 C ATOM 725 CD2 LEU A 50 40.732 13.513 20.722 1.00 1.00 C ATOM 0 H LEU A 50 38.689 15.855 22.684 1.00 1.00 H new ATOM 0 HA LEU A 50 41.085 16.424 24.290 1.00 1.00 H new ATOM 0 HB2 LEU A 50 42.107 15.393 22.068 1.00 1.00 H new ATOM 0 HB3 LEU A 50 41.374 14.347 23.269 1.00 1.00 H new ATOM 0 HG LEU A 50 39.236 14.346 22.034 1.00 1.00 H new ATOM 0 HD11 LEU A 50 39.073 15.485 19.839 1.00 1.00 H new ATOM 0 HD12 LEU A 50 39.382 16.654 21.144 1.00 1.00 H new ATOM 0 HD13 LEU A 50 40.705 16.156 20.065 1.00 1.00 H new ATOM 0 HD21 LEU A 50 40.005 13.174 19.984 1.00 1.00 H new ATOM 0 HD22 LEU A 50 41.638 13.844 20.214 1.00 1.00 H new ATOM 0 HD23 LEU A 50 40.974 12.691 21.396 1.00 1.00 H new ATOM 737 N TRP A 51 39.979 18.458 22.238 1.00 1.00 N ATOM 738 CA TRP A 51 40.201 19.697 21.503 1.00 1.00 C ATOM 739 C TRP A 51 40.433 20.857 22.466 1.00 1.00 C ATOM 740 O TRP A 51 41.546 21.371 22.578 1.00 1.00 O ATOM 741 CB TRP A 51 38.993 20.001 20.616 1.00 1.00 C ATOM 742 CG TRP A 51 38.935 21.468 20.336 1.00 1.00 C ATOM 743 CD1 TRP A 51 39.892 22.174 19.691 1.00 1.00 C ATOM 744 CD2 TRP A 51 37.888 22.420 20.682 1.00 1.00 C ATOM 745 NE1 TRP A 51 39.498 23.498 19.616 1.00 1.00 N ATOM 746 CE2 TRP A 51 38.270 23.700 20.214 1.00 1.00 C ATOM 747 CE3 TRP A 51 36.654 22.299 21.347 1.00 1.00 C ATOM 748 CZ2 TRP A 51 37.458 24.819 20.399 1.00 1.00 C ATOM 749 CZ3 TRP A 51 35.835 23.424 21.537 1.00 1.00 C ATOM 750 CH2 TRP A 51 36.236 24.681 21.064 1.00 1.00 C ATOM 0 H TRP A 51 39.008 18.286 22.499 1.00 1.00 H new ATOM 0 HA TRP A 51 41.087 19.575 20.880 1.00 1.00 H new ATOM 0 HB2 TRP A 51 39.066 19.445 19.682 1.00 1.00 H new ATOM 0 HB3 TRP A 51 38.076 19.678 21.109 1.00 1.00 H new ATOM 0 HD1 TRP A 51 40.813 21.770 19.299 1.00 1.00 H new ATOM 0 HE1 TRP A 51 40.047 24.235 19.173 1.00 1.00 H new ATOM 0 HE3 TRP A 51 36.335 21.335 21.714 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 37.771 25.785 20.031 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 34.891 23.320 22.051 1.00 1.00 H new ATOM 0 HH2 TRP A 51 35.602 25.542 21.213 1.00 1.00 H new ATOM 761 N THR A 52 39.374 21.263 23.160 1.00 1.00 N ATOM 762 CA THR A 52 39.475 22.363 24.112 1.00 1.00 C ATOM 763 C THR A 52 40.554 22.075 25.151 1.00 1.00 C ATOM 764 O THR A 52 41.383 22.932 25.453 1.00 1.00 O ATOM 765 CB THR A 52 38.130 22.575 24.813 1.00 1.00 C ATOM 766 OG1 THR A 52 38.356 23.087 26.119 1.00 1.00 O ATOM 767 CG2 THR A 52 37.384 21.243 24.907 1.00 1.00 C ATOM 0 H THR A 52 38.444 20.851 23.082 1.00 1.00 H new ATOM 0 HA THR A 52 39.745 23.267 23.566 1.00 1.00 H new ATOM 0 HB THR A 52 37.530 23.284 24.242 1.00 1.00 H new ATOM 0 HG1 THR A 52 37.497 23.225 26.569 1.00 1.00 H new ATOM 0 HG21 THR A 52 36.427 21.396 25.406 1.00 1.00 H new ATOM 0 HG22 THR A 52 37.212 20.851 23.905 1.00 1.00 H new ATOM 0 HG23 THR A 52 37.981 20.531 25.477 1.00 1.00 H new ATOM 775 N VAL A 53 40.536 20.863 25.694 1.00 1.00 N ATOM 776 CA VAL A 53 41.518 20.472 26.700 1.00 1.00 C ATOM 777 C VAL A 53 42.934 20.727 26.194 1.00 1.00 C ATOM 778 O VAL A 53 43.794 21.198 26.937 1.00 1.00 O ATOM 779 CB VAL A 53 41.354 18.991 27.040 1.00 1.00 C ATOM 780 CG1 VAL A 53 42.524 18.535 27.914 1.00 1.00 C ATOM 781 CG2 VAL A 53 40.042 18.784 27.800 1.00 1.00 C ATOM 0 H VAL A 53 39.858 20.139 25.457 1.00 1.00 H new ATOM 0 HA VAL A 53 41.352 21.071 27.596 1.00 1.00 H new ATOM 0 HB VAL A 53 41.338 18.408 26.119 1.00 1.00 H new ATOM 0 HG11 VAL A 53 42.407 17.479 28.156 1.00 1.00 H new ATOM 0 HG12 VAL A 53 43.460 18.682 27.375 1.00 1.00 H new ATOM 0 HG13 VAL A 53 42.540 19.119 28.834 1.00 1.00 H new ATOM 0 HG21 VAL A 53 39.925 17.728 28.043 1.00 1.00 H new ATOM 0 HG22 VAL A 53 40.059 19.368 28.720 1.00 1.00 H new ATOM 0 HG23 VAL A 53 39.207 19.109 27.179 1.00 1.00 H new ATOM 791 N PHE A 54 43.168 20.412 24.924 1.00 1.00 N ATOM 792 CA PHE A 54 44.484 20.612 24.328 1.00 1.00 C ATOM 793 C PHE A 54 44.973 22.035 24.571 1.00 1.00 C ATOM 794 O PHE A 54 46.136 22.254 24.909 1.00 1.00 O ATOM 795 CB PHE A 54 44.422 20.341 22.823 1.00 1.00 C ATOM 796 CG PHE A 54 45.823 20.172 22.283 1.00 1.00 C ATOM 797 CD1 PHE A 54 46.496 18.956 22.453 1.00 1.00 C ATOM 798 CD2 PHE A 54 46.446 21.230 21.612 1.00 1.00 C ATOM 799 CE1 PHE A 54 47.793 18.800 21.952 1.00 1.00 C ATOM 800 CE2 PHE A 54 47.743 21.073 21.110 1.00 1.00 C ATOM 801 CZ PHE A 54 48.418 19.858 21.280 1.00 1.00 C ATOM 0 H PHE A 54 42.470 20.020 24.292 1.00 1.00 H new ATOM 0 HA PHE A 54 45.182 19.917 24.794 1.00 1.00 H new ATOM 0 HB2 PHE A 54 43.835 19.443 22.628 1.00 1.00 H new ATOM 0 HB3 PHE A 54 43.922 21.165 22.315 1.00 1.00 H new ATOM 0 HD1 PHE A 54 46.014 18.139 22.970 1.00 1.00 H new ATOM 0 HD2 PHE A 54 45.926 22.168 21.481 1.00 1.00 H new ATOM 0 HE1 PHE A 54 48.313 17.863 22.084 1.00 1.00 H new ATOM 0 HE2 PHE A 54 48.223 21.889 20.591 1.00 1.00 H new ATOM 0 HZ PHE A 54 49.419 19.737 20.893 1.00 1.00 H new ATOM 811 N ARG A 55 44.078 23.002 24.394 1.00 1.00 N ATOM 812 CA ARG A 55 44.430 24.402 24.596 1.00 1.00 C ATOM 813 C ARG A 55 44.759 24.666 26.063 1.00 1.00 C ATOM 814 O ARG A 55 45.564 25.541 26.379 1.00 1.00 O ATOM 815 CB ARG A 55 43.270 25.302 24.162 1.00 1.00 C ATOM 816 CG ARG A 55 43.333 25.523 22.649 1.00 1.00 C ATOM 817 CD ARG A 55 43.242 24.175 21.930 1.00 1.00 C ATOM 818 NE ARG A 55 43.010 24.378 20.504 1.00 1.00 N ATOM 819 CZ ARG A 55 41.846 24.834 20.055 1.00 1.00 C ATOM 820 NH1 ARG A 55 40.885 25.109 20.894 1.00 1.00 N ATOM 821 NH2 ARG A 55 41.664 25.007 18.774 1.00 1.00 N ATOM 0 H ARG A 55 43.110 22.843 24.113 1.00 1.00 H new ATOM 0 HA ARG A 55 45.309 24.626 23.991 1.00 1.00 H new ATOM 0 HB2 ARG A 55 42.319 24.844 24.434 1.00 1.00 H new ATOM 0 HB3 ARG A 55 43.323 26.258 24.682 1.00 1.00 H new ATOM 0 HG2 ARG A 55 42.517 26.172 22.332 1.00 1.00 H new ATOM 0 HG3 ARG A 55 44.262 26.027 22.383 1.00 1.00 H new ATOM 0 HD2 ARG A 55 44.164 23.612 22.079 1.00 1.00 H new ATOM 0 HD3 ARG A 55 42.433 23.581 22.356 1.00 1.00 H new ATOM 0 HE ARG A 55 43.755 24.166 19.840 1.00 1.00 H new ATOM 0 HH11 ARG A 55 41.028 24.974 21.895 1.00 1.00 H new ATOM 0 HH12 ARG A 55 39.991 25.459 20.549 1.00 1.00 H new ATOM 0 HH21 ARG A 55 42.415 24.792 18.119 1.00 1.00 H new ATOM 0 HH22 ARG A 55 40.770 25.357 18.429 1.00 1.00 H new ATOM 835 N LYS A 56 44.131 23.903 26.952 1.00 1.00 N ATOM 836 CA LYS A 56 44.366 24.064 28.382 1.00 1.00 C ATOM 837 C LYS A 56 45.703 23.446 28.778 1.00 1.00 C ATOM 838 O LYS A 56 46.344 23.888 29.731 1.00 1.00 O ATOM 839 CB LYS A 56 43.240 23.399 29.175 1.00 1.00 C ATOM 840 CG LYS A 56 42.146 24.427 29.470 1.00 1.00 C ATOM 841 CD LYS A 56 41.630 25.017 28.156 1.00 1.00 C ATOM 842 CE LYS A 56 40.213 25.555 28.359 1.00 1.00 C ATOM 843 NZ LYS A 56 40.004 26.745 27.485 1.00 1.00 N ATOM 0 H LYS A 56 43.461 23.173 26.710 1.00 1.00 H new ATOM 0 HA LYS A 56 44.389 25.130 28.609 1.00 1.00 H new ATOM 0 HB2 LYS A 56 42.826 22.564 28.609 1.00 1.00 H new ATOM 0 HB3 LYS A 56 43.630 22.990 30.107 1.00 1.00 H new ATOM 0 HG2 LYS A 56 41.328 23.956 30.015 1.00 1.00 H new ATOM 0 HG3 LYS A 56 42.539 25.219 30.107 1.00 1.00 H new ATOM 0 HD2 LYS A 56 42.290 25.817 27.821 1.00 1.00 H new ATOM 0 HD3 LYS A 56 41.633 24.255 27.377 1.00 1.00 H new ATOM 0 HE2 LYS A 56 39.482 24.783 28.121 1.00 1.00 H new ATOM 0 HE3 LYS A 56 40.062 25.826 29.404 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 39.041 27.112 27.622 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 40.694 27.483 27.732 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 40.132 26.471 26.490 1.00 1.00 H new