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= -1.39 K(o=-1.4,f=-3.2!) 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 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 95:sc= 0.166 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -145:sc= -0.198 (180deg=-1.43!) USER MOD Single : A 26 SER OG : rot 68:sc= 0.966 USER MOD Single : A 27 SER OG : rot 180:sc=-0.00735 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 154:sc= 0 (180deg=-0.000567) USER MOD Single : A 43 THR OG1 : rot 15:sc= 0.998 USER MOD Single : A 44 THR OG1 : rot 108:sc= 0.0164 USER MOD Single : A 46 ASN : amide:sc= -0.651 X(o=-0.65,f=-1) 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 73.475 37.370 0.731 1.00 1.00 N ATOM 58 CA GLY A 5 73.863 35.965 0.796 1.00 1.00 C ATOM 59 C GLY A 5 74.797 35.604 -0.354 1.00 1.00 C ATOM 60 O GLY A 5 74.400 35.627 -1.519 1.00 1.00 O ATOM 0 HA2 GLY A 5 74.356 35.764 1.747 1.00 1.00 H new ATOM 0 HA3 GLY A 5 72.974 35.336 0.758 1.00 1.00 H new ATOM 64 N ASP A 6 76.039 35.271 -0.019 1.00 1.00 N ATOM 65 CA ASP A 6 77.022 34.907 -1.033 1.00 1.00 C ATOM 66 C ASP A 6 76.521 33.731 -1.866 1.00 1.00 C ATOM 67 O ASP A 6 77.165 33.326 -2.834 1.00 1.00 O ATOM 68 CB ASP A 6 78.347 34.535 -0.366 1.00 1.00 C ATOM 69 CG ASP A 6 79.280 35.742 -0.350 1.00 1.00 C ATOM 70 OD1 ASP A 6 78.958 36.705 0.325 1.00 1.00 O ATOM 71 OD2 ASP A 6 80.303 35.683 -1.013 1.00 1.00 O ATOM 0 H ASP A 6 76.387 35.246 0.939 1.00 1.00 H new ATOM 0 HA ASP A 6 77.174 35.764 -1.689 1.00 1.00 H new ATOM 0 HB2 ASP A 6 78.167 34.191 0.652 1.00 1.00 H new ATOM 0 HB3 ASP A 6 78.815 33.710 -0.903 1.00 1.00 H new ATOM 76 N PHE A 7 75.371 33.188 -1.483 1.00 1.00 N ATOM 77 CA PHE A 7 74.793 32.059 -2.202 1.00 1.00 C ATOM 78 C PHE A 7 73.335 31.857 -1.802 1.00 1.00 C ATOM 79 O PHE A 7 72.829 30.735 -1.809 1.00 1.00 O ATOM 80 CB PHE A 7 75.588 30.786 -1.901 1.00 1.00 C ATOM 81 CG PHE A 7 75.862 30.702 -0.419 1.00 1.00 C ATOM 82 CD1 PHE A 7 74.903 30.151 0.439 1.00 1.00 C ATOM 83 CD2 PHE A 7 77.074 31.176 0.097 1.00 1.00 C ATOM 84 CE1 PHE A 7 75.157 30.073 1.815 1.00 1.00 C ATOM 85 CE2 PHE A 7 77.327 31.098 1.472 1.00 1.00 C ATOM 86 CZ PHE A 7 76.369 30.546 2.330 1.00 1.00 C ATOM 0 H PHE A 7 74.824 33.509 -0.684 1.00 1.00 H new ATOM 0 HA PHE A 7 74.838 32.272 -3.270 1.00 1.00 H new ATOM 0 HB2 PHE A 7 75.029 29.909 -2.228 1.00 1.00 H new ATOM 0 HB3 PHE A 7 76.526 30.791 -2.455 1.00 1.00 H new ATOM 0 HD1 PHE A 7 73.968 29.786 0.041 1.00 1.00 H new ATOM 0 HD2 PHE A 7 77.813 31.602 -0.565 1.00 1.00 H new ATOM 0 HE1 PHE A 7 74.418 29.648 2.478 1.00 1.00 H new ATOM 0 HE2 PHE A 7 78.262 31.464 1.871 1.00 1.00 H new ATOM 0 HZ PHE A 7 76.565 30.485 3.390 1.00 1.00 H new ATOM 96 N ASP A 8 72.665 32.951 -1.455 1.00 1.00 N ATOM 97 CA ASP A 8 71.265 32.883 -1.054 1.00 1.00 C ATOM 98 C ASP A 8 70.453 32.093 -2.076 1.00 1.00 C ATOM 99 O ASP A 8 70.637 32.248 -3.282 1.00 1.00 O ATOM 100 CB ASP A 8 70.690 34.293 -0.921 1.00 1.00 C ATOM 101 CG ASP A 8 70.082 34.481 0.464 1.00 1.00 C ATOM 102 OD1 ASP A 8 70.841 34.595 1.412 1.00 1.00 O ATOM 103 OD2 ASP A 8 68.866 34.509 0.557 1.00 1.00 O ATOM 0 H ASP A 8 73.066 33.889 -1.443 1.00 1.00 H new ATOM 0 HA ASP A 8 71.207 32.376 -0.091 1.00 1.00 H new ATOM 0 HB2 ASP A 8 71.475 35.031 -1.086 1.00 1.00 H new ATOM 0 HB3 ASP A 8 69.931 34.458 -1.686 1.00 1.00 H new ATOM 108 N ASN A 9 69.556 31.245 -1.583 1.00 1.00 N ATOM 109 CA ASN A 9 68.721 30.435 -2.462 1.00 1.00 C ATOM 110 C ASN A 9 67.371 31.109 -2.690 1.00 1.00 C ATOM 111 O ASN A 9 66.370 30.443 -2.953 1.00 1.00 O ATOM 112 CB ASN A 9 68.506 29.051 -1.850 1.00 1.00 C ATOM 113 CG ASN A 9 67.970 28.091 -2.907 1.00 1.00 C ATOM 114 OD1 ASN A 9 67.490 28.525 -3.954 1.00 1.00 O ATOM 115 ND2 ASN A 9 68.024 26.804 -2.695 1.00 1.00 N ATOM 0 H ASN A 9 69.389 31.101 -0.587 1.00 1.00 H new ATOM 0 HA ASN A 9 69.229 30.332 -3.421 1.00 1.00 H new ATOM 0 HB2 ASN A 9 69.445 28.673 -1.446 1.00 1.00 H new ATOM 0 HB3 ASN A 9 67.805 29.117 -1.018 1.00 1.00 H new ATOM 0 HD21 ASN A 9 67.668 26.156 -3.398 1.00 1.00 H new ATOM 0 HD22 ASN A 9 68.422 26.446 -1.827 1.00 1.00 H new ATOM 122 N TYR A 10 67.351 32.433 -2.584 1.00 1.00 N ATOM 123 CA TYR A 10 66.118 33.187 -2.779 1.00 1.00 C ATOM 124 C TYR A 10 65.133 32.906 -1.649 1.00 1.00 C ATOM 125 O TYR A 10 64.813 33.794 -0.858 1.00 1.00 O ATOM 126 CB TYR A 10 65.481 32.809 -4.119 1.00 1.00 C ATOM 127 CG TYR A 10 66.564 32.450 -5.107 1.00 1.00 C ATOM 128 CD1 TYR A 10 67.683 33.280 -5.254 1.00 1.00 C ATOM 129 CD2 TYR A 10 66.452 31.286 -5.879 1.00 1.00 C ATOM 130 CE1 TYR A 10 68.687 32.947 -6.170 1.00 1.00 C ATOM 131 CE2 TYR A 10 67.456 30.954 -6.795 1.00 1.00 C ATOM 132 CZ TYR A 10 68.574 31.784 -6.941 1.00 1.00 C ATOM 133 OH TYR A 10 69.563 31.456 -7.844 1.00 1.00 O ATOM 0 H TYR A 10 68.168 33.003 -2.366 1.00 1.00 H new ATOM 0 HA TYR A 10 66.361 34.250 -2.778 1.00 1.00 H new ATOM 0 HB2 TYR A 10 64.801 31.967 -3.986 1.00 1.00 H new ATOM 0 HB3 TYR A 10 64.888 33.641 -4.499 1.00 1.00 H new ATOM 0 HD1 TYR A 10 67.771 34.178 -4.660 1.00 1.00 H new ATOM 0 HD2 TYR A 10 65.590 30.645 -5.767 1.00 1.00 H new ATOM 0 HE1 TYR A 10 69.549 33.587 -6.282 1.00 1.00 H new ATOM 0 HE2 TYR A 10 67.369 30.057 -7.390 1.00 1.00 H new ATOM 0 HH TYR A 10 69.329 30.618 -8.295 1.00 1.00 H new ATOM 143 N TYR A 11 64.657 31.668 -1.579 1.00 1.00 N ATOM 144 CA TYR A 11 63.709 31.282 -0.541 1.00 1.00 C ATOM 145 C TYR A 11 62.344 31.911 -0.800 1.00 1.00 C ATOM 146 O TYR A 11 61.362 31.209 -1.042 1.00 1.00 O ATOM 147 CB TYR A 11 64.226 31.727 0.829 1.00 1.00 C ATOM 148 CG TYR A 11 63.947 30.646 1.847 1.00 1.00 C ATOM 149 CD1 TYR A 11 64.817 29.556 1.967 1.00 1.00 C ATOM 150 CD2 TYR A 11 62.819 30.736 2.671 1.00 1.00 C ATOM 151 CE1 TYR A 11 64.559 28.555 2.911 1.00 1.00 C ATOM 152 CE2 TYR A 11 62.561 29.734 3.615 1.00 1.00 C ATOM 153 CZ TYR A 11 63.431 28.644 3.735 1.00 1.00 C ATOM 154 OH TYR A 11 63.176 27.657 4.665 1.00 1.00 O ATOM 0 H TYR A 11 64.910 30.919 -2.224 1.00 1.00 H new ATOM 0 HA TYR A 11 63.605 30.197 -0.556 1.00 1.00 H new ATOM 0 HB2 TYR A 11 65.296 31.927 0.779 1.00 1.00 H new ATOM 0 HB3 TYR A 11 63.742 32.657 1.128 1.00 1.00 H new ATOM 0 HD1 TYR A 11 65.687 29.487 1.331 1.00 1.00 H new ATOM 0 HD2 TYR A 11 62.148 31.577 2.579 1.00 1.00 H new ATOM 0 HE1 TYR A 11 65.230 27.714 3.004 1.00 1.00 H new ATOM 0 HE2 TYR A 11 61.690 29.802 4.251 1.00 1.00 H new ATOM 0 HH TYR A 11 62.355 27.873 5.155 1.00 1.00 H new ATOM 164 N GLY A 12 62.290 33.238 -0.749 1.00 1.00 N ATOM 165 CA GLY A 12 61.040 33.952 -0.980 1.00 1.00 C ATOM 166 C GLY A 12 60.471 33.620 -2.356 1.00 1.00 C ATOM 167 O GLY A 12 59.255 33.625 -2.552 1.00 1.00 O ATOM 0 H GLY A 12 63.091 33.837 -0.551 1.00 1.00 H new ATOM 0 HA2 GLY A 12 60.317 33.686 -0.209 1.00 1.00 H new ATOM 0 HA3 GLY A 12 61.210 35.026 -0.901 1.00 1.00 H new ATOM 171 N ALA A 13 61.356 33.334 -3.304 1.00 1.00 N ATOM 172 CA ALA A 13 60.930 33.002 -4.658 1.00 1.00 C ATOM 173 C ALA A 13 59.713 32.083 -4.627 1.00 1.00 C ATOM 174 O ALA A 13 58.893 32.091 -5.545 1.00 1.00 O ATOM 175 CB ALA A 13 62.071 32.315 -5.411 1.00 1.00 C ATOM 0 H ALA A 13 62.366 33.325 -3.162 1.00 1.00 H new ATOM 0 HA ALA A 13 60.661 33.926 -5.170 1.00 1.00 H new ATOM 0 HB1 ALA A 13 61.744 32.070 -6.422 1.00 1.00 H new ATOM 0 HB2 ALA A 13 62.930 32.984 -5.459 1.00 1.00 H new ATOM 0 HB3 ALA A 13 62.353 31.400 -4.889 1.00 1.00 H new ATOM 181 N ASP A 14 59.602 31.292 -3.565 1.00 1.00 N ATOM 182 CA ASP A 14 58.481 30.370 -3.424 1.00 1.00 C ATOM 183 C ASP A 14 57.164 31.078 -3.728 1.00 1.00 C ATOM 184 O ASP A 14 56.146 30.434 -3.977 1.00 1.00 O ATOM 185 CB ASP A 14 58.443 29.806 -2.003 1.00 1.00 C ATOM 186 CG ASP A 14 59.549 28.772 -1.823 1.00 1.00 C ATOM 187 OD1 ASP A 14 60.680 29.078 -2.160 1.00 1.00 O ATOM 188 OD2 ASP A 14 59.247 27.688 -1.350 1.00 1.00 O ATOM 0 H ASP A 14 60.270 31.270 -2.794 1.00 1.00 H new ATOM 0 HA ASP A 14 58.615 29.554 -4.134 1.00 1.00 H new ATOM 0 HB2 ASP A 14 58.566 30.612 -1.280 1.00 1.00 H new ATOM 0 HB3 ASP A 14 57.472 29.350 -1.810 1.00 1.00 H new ATOM 193 N ASN A 15 57.193 32.406 -3.705 1.00 1.00 N ATOM 194 CA ASN A 15 55.996 33.192 -3.979 1.00 1.00 C ATOM 195 C ASN A 15 55.637 33.121 -5.460 1.00 1.00 C ATOM 196 O ASN A 15 54.513 32.772 -5.819 1.00 1.00 O ATOM 197 CB ASN A 15 56.224 34.650 -3.577 1.00 1.00 C ATOM 198 CG ASN A 15 54.982 35.199 -2.882 1.00 1.00 C ATOM 199 OD1 ASN A 15 54.831 35.052 -1.669 1.00 1.00 O ATOM 200 ND2 ASN A 15 54.079 35.829 -3.584 1.00 1.00 N ATOM 0 H ASN A 15 58.026 32.958 -3.501 1.00 1.00 H new ATOM 0 HA ASN A 15 55.172 32.780 -3.396 1.00 1.00 H new ATOM 0 HB2 ASN A 15 57.085 34.722 -2.912 1.00 1.00 H new ATOM 0 HB3 ASN A 15 56.451 35.248 -4.459 1.00 1.00 H new ATOM 0 HD21 ASN A 15 53.246 36.201 -3.128 1.00 1.00 H new ATOM 0 HD22 ASN A 15 54.207 35.949 -4.589 1.00 1.00 H new ATOM 207 N GLN A 16 56.599 33.455 -6.314 1.00 1.00 N ATOM 208 CA GLN A 16 56.373 33.426 -7.754 1.00 1.00 C ATOM 209 C GLN A 16 56.909 32.132 -8.354 1.00 1.00 C ATOM 210 O GLN A 16 57.557 32.143 -9.401 1.00 1.00 O ATOM 211 CB GLN A 16 57.060 34.622 -8.415 1.00 1.00 C ATOM 212 CG GLN A 16 57.033 35.818 -7.462 1.00 1.00 C ATOM 213 CD GLN A 16 57.342 37.101 -8.226 1.00 1.00 C ATOM 214 OE1 GLN A 16 58.482 37.568 -8.220 1.00 1.00 O ATOM 215 NE2 GLN A 16 56.392 37.701 -8.888 1.00 1.00 N ATOM 0 H GLN A 16 57.536 33.747 -6.036 1.00 1.00 H new ATOM 0 HA GLN A 16 55.300 33.479 -7.936 1.00 1.00 H new ATOM 0 HB2 GLN A 16 58.089 34.369 -8.668 1.00 1.00 H new ATOM 0 HB3 GLN A 16 56.555 34.875 -9.347 1.00 1.00 H new ATOM 0 HG2 GLN A 16 56.054 35.894 -6.988 1.00 1.00 H new ATOM 0 HG3 GLN A 16 57.763 35.675 -6.665 1.00 1.00 H new ATOM 0 HE21 GLN A 16 55.449 37.312 -8.891 1.00 1.00 H new ATOM 0 HE22 GLN A 16 56.592 38.559 -9.402 1.00 1.00 H new ATOM 224 N SER A 17 56.636 31.016 -7.685 1.00 1.00 N ATOM 225 CA SER A 17 57.098 29.718 -8.163 1.00 1.00 C ATOM 226 C SER A 17 56.097 28.626 -7.798 1.00 1.00 C ATOM 227 O SER A 17 55.120 28.876 -7.091 1.00 1.00 O ATOM 228 CB SER A 17 58.459 29.390 -7.550 1.00 1.00 C ATOM 229 OG SER A 17 59.420 30.332 -8.010 1.00 1.00 O ATOM 0 H SER A 17 56.101 30.984 -6.817 1.00 1.00 H new ATOM 0 HA SER A 17 57.190 29.763 -9.248 1.00 1.00 H new ATOM 0 HB2 SER A 17 58.397 29.418 -6.462 1.00 1.00 H new ATOM 0 HB3 SER A 17 58.761 28.380 -7.826 1.00 1.00 H new ATOM 0 HG SER A 17 59.502 31.060 -7.359 1.00 1.00 H new ATOM 235 N GLU A 18 56.348 27.415 -8.283 1.00 1.00 N ATOM 236 CA GLU A 18 55.462 26.292 -8.001 1.00 1.00 C ATOM 237 C GLU A 18 55.256 26.135 -6.498 1.00 1.00 C ATOM 238 O GLU A 18 55.941 25.345 -5.847 1.00 1.00 O ATOM 239 CB GLU A 18 56.054 25.002 -8.575 1.00 1.00 C ATOM 240 CG GLU A 18 57.418 24.737 -7.933 1.00 1.00 C ATOM 241 CD GLU A 18 58.412 24.278 -8.994 1.00 1.00 C ATOM 242 OE1 GLU A 18 57.988 23.621 -9.931 1.00 1.00 O ATOM 243 OE2 GLU A 18 59.582 24.591 -8.856 1.00 1.00 O ATOM 0 H GLU A 18 57.151 27.187 -8.869 1.00 1.00 H new ATOM 0 HA GLU A 18 54.498 26.489 -8.469 1.00 1.00 H new ATOM 0 HB2 GLU A 18 55.382 24.165 -8.385 1.00 1.00 H new ATOM 0 HB3 GLU A 18 56.160 25.087 -9.657 1.00 1.00 H new ATOM 0 HG2 GLU A 18 57.783 25.642 -7.448 1.00 1.00 H new ATOM 0 HG3 GLU A 18 57.323 23.976 -7.158 1.00 1.00 H new ATOM 250 N CYS A 19 54.310 26.891 -5.954 1.00 1.00 N ATOM 251 CA CYS A 19 54.022 26.828 -4.525 1.00 1.00 C ATOM 252 C CYS A 19 52.835 25.910 -4.257 1.00 1.00 C ATOM 253 O CYS A 19 52.835 25.145 -3.293 1.00 1.00 O ATOM 254 CB CYS A 19 53.718 28.229 -3.991 1.00 1.00 C ATOM 255 SG CYS A 19 54.023 28.275 -2.207 1.00 1.00 S ATOM 0 H CYS A 19 53.733 27.551 -6.476 1.00 1.00 H new ATOM 0 HA CYS A 19 54.898 26.427 -4.015 1.00 1.00 H new ATOM 0 HB2 CYS A 19 54.342 28.966 -4.496 1.00 1.00 H new ATOM 0 HB3 CYS A 19 52.681 28.492 -4.200 1.00 1.00 H new ATOM 0 HG CYS A 19 53.767 29.466 -1.754 1.00 1.00 H new ATOM 261 N GLU A 20 51.824 25.992 -5.116 1.00 1.00 N ATOM 262 CA GLU A 20 50.634 25.164 -4.962 1.00 1.00 C ATOM 263 C GLU A 20 50.062 24.789 -6.325 1.00 1.00 C ATOM 264 O GLU A 20 48.891 25.042 -6.608 1.00 1.00 O ATOM 265 CB GLU A 20 49.575 25.915 -4.151 1.00 1.00 C ATOM 266 CG GLU A 20 50.073 26.105 -2.716 1.00 1.00 C ATOM 267 CD GLU A 20 48.957 26.682 -1.851 1.00 1.00 C ATOM 268 OE1 GLU A 20 48.208 27.502 -2.354 1.00 1.00 O ATOM 269 OE2 GLU A 20 48.868 26.294 -0.697 1.00 1.00 O ATOM 0 H GLU A 20 51.805 26.619 -5.920 1.00 1.00 H new ATOM 0 HA GLU A 20 50.915 24.252 -4.435 1.00 1.00 H new ATOM 0 HB2 GLU A 20 49.371 26.883 -4.608 1.00 1.00 H new ATOM 0 HB3 GLU A 20 48.638 25.358 -4.152 1.00 1.00 H new ATOM 0 HG2 GLU A 20 50.405 25.150 -2.308 1.00 1.00 H new ATOM 0 HG3 GLU A 20 50.935 26.773 -2.706 1.00 1.00 H new ATOM 276 N TYR A 21 50.896 24.185 -7.166 1.00 1.00 N ATOM 277 CA TYR A 21 50.461 23.780 -8.498 1.00 1.00 C ATOM 278 C TYR A 21 51.001 22.395 -8.839 1.00 1.00 C ATOM 279 O TYR A 21 50.953 21.965 -9.991 1.00 1.00 O ATOM 280 CB TYR A 21 50.950 24.791 -9.537 1.00 1.00 C ATOM 281 CG TYR A 21 50.250 26.111 -9.323 1.00 1.00 C ATOM 282 CD1 TYR A 21 50.703 26.991 -8.332 1.00 1.00 C ATOM 283 CD2 TYR A 21 49.148 26.455 -10.115 1.00 1.00 C ATOM 284 CE1 TYR A 21 50.053 28.215 -8.134 1.00 1.00 C ATOM 285 CE2 TYR A 21 48.500 27.680 -9.916 1.00 1.00 C ATOM 286 CZ TYR A 21 48.952 28.560 -8.926 1.00 1.00 C ATOM 287 OH TYR A 21 48.312 29.767 -8.731 1.00 1.00 O ATOM 0 H TYR A 21 51.869 23.967 -6.951 1.00 1.00 H new ATOM 0 HA TYR A 21 49.372 23.746 -8.510 1.00 1.00 H new ATOM 0 HB2 TYR A 21 52.029 24.922 -9.453 1.00 1.00 H new ATOM 0 HB3 TYR A 21 50.751 24.420 -10.543 1.00 1.00 H new ATOM 0 HD1 TYR A 21 51.553 26.726 -7.721 1.00 1.00 H new ATOM 0 HD2 TYR A 21 48.798 25.776 -10.879 1.00 1.00 H new ATOM 0 HE1 TYR A 21 50.401 28.894 -7.369 1.00 1.00 H new ATOM 0 HE2 TYR A 21 47.650 27.946 -10.527 1.00 1.00 H new ATOM 0 HH TYR A 21 47.569 29.850 -9.365 1.00 1.00 H new ATOM 297 N THR A 22 51.516 21.700 -7.829 1.00 1.00 N ATOM 298 CA THR A 22 52.063 20.364 -8.034 1.00 1.00 C ATOM 299 C THR A 22 51.886 19.515 -6.780 1.00 1.00 C ATOM 300 O THR A 22 51.414 18.381 -6.849 1.00 1.00 O ATOM 301 CB THR A 22 53.550 20.457 -8.385 1.00 1.00 C ATOM 302 OG1 THR A 22 54.262 19.442 -7.692 1.00 1.00 O ATOM 303 CG2 THR A 22 54.088 21.829 -7.979 1.00 1.00 C ATOM 0 H THR A 22 51.566 22.037 -6.868 1.00 1.00 H new ATOM 0 HA THR A 22 51.525 19.893 -8.856 1.00 1.00 H new ATOM 0 HB THR A 22 53.679 20.323 -9.459 1.00 1.00 H new ATOM 0 HG1 THR A 22 55.214 19.499 -7.917 1.00 1.00 H new ATOM 0 HG21 THR A 22 55.147 21.893 -8.230 1.00 1.00 H new ATOM 0 HG22 THR A 22 53.541 22.607 -8.512 1.00 1.00 H new ATOM 0 HG23 THR A 22 53.960 21.967 -6.905 1.00 1.00 H new ATOM 311 N ASP A 23 52.269 20.072 -5.635 1.00 1.00 N ATOM 312 CA ASP A 23 52.148 19.356 -4.371 1.00 1.00 C ATOM 313 C ASP A 23 50.690 19.295 -3.926 1.00 1.00 C ATOM 314 O ASP A 23 50.397 19.029 -2.761 1.00 1.00 O ATOM 315 CB ASP A 23 52.983 20.052 -3.295 1.00 1.00 C ATOM 316 CG ASP A 23 54.448 19.652 -3.430 1.00 1.00 C ATOM 317 OD1 ASP A 23 54.730 18.469 -3.335 1.00 1.00 O ATOM 318 OD2 ASP A 23 55.266 20.534 -3.628 1.00 1.00 O ATOM 0 H ASP A 23 52.663 21.010 -5.557 1.00 1.00 H new ATOM 0 HA ASP A 23 52.514 18.340 -4.515 1.00 1.00 H new ATOM 0 HB2 ASP A 23 52.883 21.133 -3.389 1.00 1.00 H new ATOM 0 HB3 ASP A 23 52.614 19.782 -2.306 1.00 1.00 H new ATOM 323 N TRP A 24 49.780 19.543 -4.863 1.00 1.00 N ATOM 324 CA TRP A 24 48.355 19.513 -4.556 1.00 1.00 C ATOM 325 C TRP A 24 47.566 18.933 -5.724 1.00 1.00 C ATOM 326 O TRP A 24 46.362 19.160 -5.847 1.00 1.00 O ATOM 327 CB TRP A 24 47.857 20.928 -4.252 1.00 1.00 C ATOM 328 CG TRP A 24 47.378 21.569 -5.516 1.00 1.00 C ATOM 329 CD1 TRP A 24 48.179 22.099 -6.469 1.00 1.00 C ATOM 330 CD2 TRP A 24 46.011 21.757 -5.979 1.00 1.00 C ATOM 331 NE1 TRP A 24 47.390 22.601 -7.488 1.00 1.00 N ATOM 332 CE2 TRP A 24 46.046 22.413 -7.233 1.00 1.00 C ATOM 333 CE3 TRP A 24 44.755 21.425 -5.440 1.00 1.00 C ATOM 334 CZ2 TRP A 24 44.876 22.729 -7.926 1.00 1.00 C ATOM 335 CZ3 TRP A 24 43.576 21.741 -6.136 1.00 1.00 C ATOM 336 CH2 TRP A 24 43.636 22.392 -7.375 1.00 1.00 C ATOM 0 H TRP A 24 50.002 19.765 -5.833 1.00 1.00 H new ATOM 0 HA TRP A 24 48.204 18.879 -3.682 1.00 1.00 H new ATOM 0 HB2 TRP A 24 47.049 20.892 -3.521 1.00 1.00 H new ATOM 0 HB3 TRP A 24 48.659 21.521 -3.812 1.00 1.00 H new ATOM 0 HD1 TRP A 24 49.258 22.126 -6.439 1.00 1.00 H new ATOM 0 HE1 TRP A 24 47.756 23.054 -8.325 1.00 1.00 H new ATOM 0 HE3 TRP A 24 44.696 20.924 -4.485 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 44.928 23.230 -8.881 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 42.617 21.480 -5.713 1.00 1.00 H new ATOM 0 HH2 TRP A 24 42.726 22.633 -7.904 1.00 1.00 H new ATOM 347 N LYS A 25 48.251 18.183 -6.581 1.00 1.00 N ATOM 348 CA LYS A 25 47.603 17.574 -7.737 1.00 1.00 C ATOM 349 C LYS A 25 46.237 17.014 -7.351 1.00 1.00 C ATOM 350 O LYS A 25 46.140 16.100 -6.532 1.00 1.00 O ATOM 351 CB LYS A 25 48.478 16.450 -8.296 1.00 1.00 C ATOM 352 CG LYS A 25 48.683 16.655 -9.799 1.00 1.00 C ATOM 353 CD LYS A 25 49.579 17.873 -10.033 1.00 1.00 C ATOM 354 CE LYS A 25 48.907 18.818 -11.029 1.00 1.00 C ATOM 355 NZ LYS A 25 48.456 18.045 -12.221 1.00 1.00 N ATOM 0 H LYS A 25 49.248 17.983 -6.498 1.00 1.00 H new ATOM 0 HA LYS A 25 47.467 18.341 -8.500 1.00 1.00 H new ATOM 0 HB2 LYS A 25 49.441 16.438 -7.786 1.00 1.00 H new ATOM 0 HB3 LYS A 25 48.008 15.484 -8.112 1.00 1.00 H new ATOM 0 HG2 LYS A 25 49.137 15.767 -10.239 1.00 1.00 H new ATOM 0 HG3 LYS A 25 47.721 16.798 -10.291 1.00 1.00 H new ATOM 0 HD2 LYS A 25 49.761 18.390 -9.091 1.00 1.00 H new ATOM 0 HD3 LYS A 25 50.549 17.556 -10.415 1.00 1.00 H new ATOM 0 HE2 LYS A 25 48.056 19.313 -10.560 1.00 1.00 H new ATOM 0 HE3 LYS A 25 49.604 19.600 -11.332 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 48.559 18.631 -13.074 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 49.036 17.187 -12.318 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 47.458 17.777 -12.104 1.00 1.00 H new ATOM 369 N SER A 26 45.186 17.569 -7.947 1.00 1.00 N ATOM 370 CA SER A 26 43.830 17.117 -7.659 1.00 1.00 C ATOM 371 C SER A 26 43.313 16.220 -8.779 1.00 1.00 C ATOM 372 O SER A 26 42.733 16.701 -9.753 1.00 1.00 O ATOM 373 CB SER A 26 42.903 18.322 -7.497 1.00 1.00 C ATOM 374 OG SER A 26 42.601 18.858 -8.779 1.00 1.00 O ATOM 0 H SER A 26 45.246 18.327 -8.627 1.00 1.00 H new ATOM 0 HA SER A 26 43.847 16.544 -6.732 1.00 1.00 H new ATOM 0 HB2 SER A 26 41.986 18.024 -6.989 1.00 1.00 H new ATOM 0 HB3 SER A 26 43.379 19.081 -6.876 1.00 1.00 H new ATOM 0 HG SER A 26 42.047 18.221 -9.278 1.00 1.00 H new ATOM 380 N SER A 27 43.527 14.918 -8.634 1.00 1.00 N ATOM 381 CA SER A 27 43.078 13.963 -9.640 1.00 1.00 C ATOM 382 C SER A 27 41.555 13.928 -9.703 1.00 1.00 C ATOM 383 O SER A 27 40.937 14.694 -10.442 1.00 1.00 O ATOM 384 CB SER A 27 43.610 12.568 -9.311 1.00 1.00 C ATOM 385 OG SER A 27 43.081 11.632 -10.241 1.00 1.00 O ATOM 0 H SER A 27 44.005 14.501 -7.835 1.00 1.00 H new ATOM 0 HA SER A 27 43.463 14.278 -10.610 1.00 1.00 H new ATOM 0 HB2 SER A 27 44.699 12.563 -9.352 1.00 1.00 H new ATOM 0 HB3 SER A 27 43.328 12.289 -8.296 1.00 1.00 H new ATOM 0 HG SER A 27 43.422 10.737 -10.034 1.00 1.00 H new ATOM 391 N GLY A 28 40.956 13.034 -8.923 1.00 1.00 N ATOM 392 CA GLY A 28 39.503 12.908 -8.898 1.00 1.00 C ATOM 393 C GLY A 28 38.844 14.266 -8.684 1.00 1.00 C ATOM 394 O GLY A 28 37.712 14.491 -9.112 1.00 1.00 O ATOM 0 H GLY A 28 41.450 12.391 -8.304 1.00 1.00 H new ATOM 0 HA2 GLY A 28 39.155 12.474 -9.835 1.00 1.00 H new ATOM 0 HA3 GLY A 28 39.207 12.226 -8.101 1.00 1.00 H new ATOM 398 N ALA A 29 39.560 15.167 -8.019 1.00 1.00 N ATOM 399 CA ALA A 29 39.037 16.502 -7.751 1.00 1.00 C ATOM 400 C ALA A 29 38.043 16.469 -6.594 1.00 1.00 C ATOM 401 O ALA A 29 36.963 17.055 -6.672 1.00 1.00 O ATOM 402 CB ALA A 29 38.352 17.057 -9.004 1.00 1.00 C ATOM 0 H ALA A 29 40.499 14.999 -7.658 1.00 1.00 H new ATOM 0 HA ALA A 29 39.870 17.149 -7.477 1.00 1.00 H new ATOM 0 HB1 ALA A 29 37.964 18.054 -8.795 1.00 1.00 H new ATOM 0 HB2 ALA A 29 39.074 17.112 -9.819 1.00 1.00 H new ATOM 0 HB3 ALA A 29 37.530 16.401 -9.290 1.00 1.00 H new ATOM 408 N LEU A 30 38.417 15.785 -5.518 1.00 1.00 N ATOM 409 CA LEU A 30 37.551 15.688 -4.349 1.00 1.00 C ATOM 410 C LEU A 30 38.362 15.355 -3.100 1.00 1.00 C ATOM 411 O LEU A 30 37.813 14.915 -2.092 1.00 1.00 O ATOM 412 CB LEU A 30 36.469 14.623 -4.577 1.00 1.00 C ATOM 413 CG LEU A 30 37.059 13.212 -4.443 1.00 1.00 C ATOM 414 CD1 LEU A 30 36.019 12.186 -4.895 1.00 1.00 C ATOM 415 CD2 LEU A 30 38.306 13.083 -5.322 1.00 1.00 C ATOM 0 H LEU A 30 39.306 15.293 -5.431 1.00 1.00 H new ATOM 0 HA LEU A 30 37.070 16.655 -4.198 1.00 1.00 H new ATOM 0 HB2 LEU A 30 35.663 14.756 -3.855 1.00 1.00 H new ATOM 0 HB3 LEU A 30 36.032 14.747 -5.568 1.00 1.00 H new ATOM 0 HG LEU A 30 37.331 13.034 -3.403 1.00 1.00 H new ATOM 0 HD11 LEU A 30 36.434 11.182 -4.802 1.00 1.00 H new ATOM 0 HD12 LEU A 30 35.129 12.271 -4.271 1.00 1.00 H new ATOM 0 HD13 LEU A 30 35.752 12.373 -5.935 1.00 1.00 H new ATOM 0 HD21 LEU A 30 38.719 12.079 -5.222 1.00 1.00 H new ATOM 0 HD22 LEU A 30 38.038 13.263 -6.363 1.00 1.00 H new ATOM 0 HD23 LEU A 30 39.050 13.815 -5.008 1.00 1.00 H new ATOM 427 N ILE A 31 39.671 15.571 -3.173 1.00 1.00 N ATOM 428 CA ILE A 31 40.541 15.292 -2.037 1.00 1.00 C ATOM 429 C ILE A 31 40.323 16.302 -0.909 1.00 1.00 C ATOM 430 O ILE A 31 40.359 15.936 0.266 1.00 1.00 O ATOM 431 CB ILE A 31 42.009 15.320 -2.473 1.00 1.00 C ATOM 432 CG1 ILE A 31 42.106 15.017 -3.971 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.791 14.262 -1.691 1.00 1.00 C ATOM 434 CD1 ILE A 31 43.517 14.525 -4.301 1.00 1.00 C ATOM 0 H ILE A 31 40.149 15.935 -3.998 1.00 1.00 H new ATOM 0 HA ILE A 31 40.291 14.299 -1.664 1.00 1.00 H new ATOM 0 HB ILE A 31 42.427 16.307 -2.274 1.00 1.00 H new ATOM 0 HG12 ILE A 31 41.371 14.261 -4.248 1.00 1.00 H new ATOM 0 HG13 ILE A 31 41.877 15.912 -4.550 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.836 14.280 -2.000 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.724 14.475 -0.624 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.370 13.277 -1.892 1.00 1.00 H new ATOM 0 HD11 ILE A 31 43.587 14.309 -5.367 1.00 1.00 H new ATOM 0 HD12 ILE A 31 44.242 15.296 -4.039 1.00 1.00 H new ATOM 0 HD13 ILE A 31 43.729 13.619 -3.733 1.00 1.00 H new ATOM 446 N PRO A 32 40.099 17.556 -1.228 1.00 1.00 N ATOM 447 CA PRO A 32 39.877 18.608 -0.206 1.00 1.00 C ATOM 448 C PRO A 32 38.418 18.670 0.242 1.00 1.00 C ATOM 449 O PRO A 32 38.034 19.542 1.021 1.00 1.00 O ATOM 450 CB PRO A 32 40.292 19.896 -0.919 1.00 1.00 C ATOM 451 CG PRO A 32 40.155 19.629 -2.388 1.00 1.00 C ATOM 452 CD PRO A 32 40.029 18.113 -2.587 1.00 1.00 C ATOM 0 HA PRO A 32 40.443 18.424 0.707 1.00 1.00 H new ATOM 0 HB2 PRO A 32 39.659 20.730 -0.615 1.00 1.00 H new ATOM 0 HB3 PRO A 32 41.318 20.166 -0.667 1.00 1.00 H new ATOM 0 HG2 PRO A 32 39.279 20.139 -2.788 1.00 1.00 H new ATOM 0 HG3 PRO A 32 41.021 20.013 -2.927 1.00 1.00 H new ATOM 0 HD2 PRO A 32 39.089 17.853 -3.074 1.00 1.00 H new ATOM 0 HD3 PRO A 32 40.831 17.727 -3.216 1.00 1.00 H new ATOM 460 N ALA A 33 37.618 17.731 -0.254 1.00 1.00 N ATOM 461 CA ALA A 33 36.203 17.670 0.098 1.00 1.00 C ATOM 462 C ALA A 33 35.927 16.438 0.954 1.00 1.00 C ATOM 463 O ALA A 33 35.006 16.429 1.770 1.00 1.00 O ATOM 464 CB ALA A 33 35.351 17.614 -1.171 1.00 1.00 C ATOM 0 H ALA A 33 37.924 17.003 -0.900 1.00 1.00 H new ATOM 0 HA ALA A 33 35.945 18.564 0.666 1.00 1.00 H new ATOM 0 HB1 ALA A 33 34.296 17.569 -0.899 1.00 1.00 H new ATOM 0 HB2 ALA A 33 35.533 18.505 -1.771 1.00 1.00 H new ATOM 0 HB3 ALA A 33 35.616 16.728 -1.748 1.00 1.00 H new ATOM 470 N ILE A 34 36.735 15.403 0.759 1.00 1.00 N ATOM 471 CA ILE A 34 36.580 14.165 1.514 1.00 1.00 C ATOM 472 C ILE A 34 37.582 14.122 2.664 1.00 1.00 C ATOM 473 O ILE A 34 37.202 13.984 3.826 1.00 1.00 O ATOM 474 CB ILE A 34 36.796 12.961 0.590 1.00 1.00 C ATOM 475 CG1 ILE A 34 35.483 12.612 -0.117 1.00 1.00 C ATOM 476 CG2 ILE A 34 37.260 11.753 1.408 1.00 1.00 C ATOM 477 CD1 ILE A 34 34.898 13.863 -0.780 1.00 1.00 C ATOM 0 H ILE A 34 37.502 15.396 0.087 1.00 1.00 H new ATOM 0 HA ILE A 34 35.571 14.126 1.924 1.00 1.00 H new ATOM 0 HB ILE A 34 37.556 13.214 -0.149 1.00 1.00 H new ATOM 0 HG12 ILE A 34 35.658 11.841 -0.867 1.00 1.00 H new ATOM 0 HG13 ILE A 34 34.771 12.204 0.600 1.00 1.00 H new ATOM 0 HG21 ILE A 34 37.411 10.901 0.745 1.00 1.00 H new ATOM 0 HG22 ILE A 34 38.197 11.992 1.911 1.00 1.00 H new ATOM 0 HG23 ILE A 34 36.502 11.504 2.151 1.00 1.00 H new ATOM 0 HD11 ILE A 34 33.964 13.607 -1.281 1.00 1.00 H new ATOM 0 HD12 ILE A 34 34.706 14.621 -0.021 1.00 1.00 H new ATOM 0 HD13 ILE A 34 35.607 14.253 -1.511 1.00 1.00 H new ATOM 489 N TYR A 35 38.863 14.244 2.331 1.00 1.00 N ATOM 490 CA TYR A 35 39.910 14.218 3.345 1.00 1.00 C ATOM 491 C TYR A 35 39.755 15.397 4.301 1.00 1.00 C ATOM 492 O TYR A 35 40.345 15.414 5.381 1.00 1.00 O ATOM 493 CB TYR A 35 41.287 14.277 2.679 1.00 1.00 C ATOM 494 CG TYR A 35 42.337 13.811 3.660 1.00 1.00 C ATOM 495 CD1 TYR A 35 42.617 12.446 3.790 1.00 1.00 C ATOM 496 CD2 TYR A 35 43.029 14.745 4.440 1.00 1.00 C ATOM 497 CE1 TYR A 35 43.588 12.014 4.700 1.00 1.00 C ATOM 498 CE2 TYR A 35 44.001 14.313 5.351 1.00 1.00 C ATOM 499 CZ TYR A 35 44.280 12.947 5.481 1.00 1.00 C ATOM 500 OH TYR A 35 45.238 12.522 6.379 1.00 1.00 O ATOM 0 H TYR A 35 39.199 14.361 1.375 1.00 1.00 H new ATOM 0 HA TYR A 35 39.821 13.290 3.909 1.00 1.00 H new ATOM 0 HB2 TYR A 35 41.300 13.648 1.789 1.00 1.00 H new ATOM 0 HB3 TYR A 35 41.503 15.295 2.354 1.00 1.00 H new ATOM 0 HD1 TYR A 35 42.083 11.726 3.188 1.00 1.00 H new ATOM 0 HD2 TYR A 35 42.813 15.798 4.339 1.00 1.00 H new ATOM 0 HE1 TYR A 35 43.804 10.960 4.800 1.00 1.00 H new ATOM 0 HE2 TYR A 35 44.535 15.033 5.953 1.00 1.00 H new ATOM 0 HH TYR A 35 45.622 13.297 6.839 1.00 1.00 H new ATOM 510 N MET A 36 38.956 16.378 3.895 1.00 1.00 N ATOM 511 CA MET A 36 38.729 17.556 4.723 1.00 1.00 C ATOM 512 C MET A 36 37.509 17.357 5.615 1.00 1.00 C ATOM 513 O MET A 36 37.600 17.449 6.840 1.00 1.00 O ATOM 514 CB MET A 36 38.518 18.786 3.837 1.00 1.00 C ATOM 515 CG MET A 36 38.193 19.997 4.713 1.00 1.00 C ATOM 516 SD MET A 36 38.304 21.506 3.720 1.00 1.00 S ATOM 517 CE MET A 36 40.078 21.790 3.941 1.00 1.00 C ATOM 0 H MET A 36 38.458 16.381 3.005 1.00 1.00 H new ATOM 0 HA MET A 36 39.606 17.707 5.353 1.00 1.00 H new ATOM 0 HB2 MET A 36 39.414 18.980 3.247 1.00 1.00 H new ATOM 0 HB3 MET A 36 37.706 18.605 3.133 1.00 1.00 H new ATOM 0 HG2 MET A 36 37.192 19.898 5.133 1.00 1.00 H new ATOM 0 HG3 MET A 36 38.887 20.049 5.552 1.00 1.00 H new ATOM 0 HE1 MET A 36 40.464 22.357 3.094 1.00 1.00 H new ATOM 0 HE2 MET A 36 40.245 22.351 4.860 1.00 1.00 H new ATOM 0 HE3 MET A 36 40.595 20.832 4.002 1.00 1.00 H new ATOM 527 N LEU A 37 36.367 17.083 4.992 1.00 1.00 N ATOM 528 CA LEU A 37 35.133 16.873 5.740 1.00 1.00 C ATOM 529 C LEU A 37 35.180 15.544 6.489 1.00 1.00 C ATOM 530 O LEU A 37 34.185 14.820 6.549 1.00 1.00 O ATOM 531 CB LEU A 37 33.936 16.880 4.786 1.00 1.00 C ATOM 532 CG LEU A 37 33.967 18.149 3.931 1.00 1.00 C ATOM 533 CD1 LEU A 37 32.781 18.141 2.964 1.00 1.00 C ATOM 534 CD2 LEU A 37 33.875 19.380 4.837 1.00 1.00 C ATOM 0 H LEU A 37 36.271 17.002 3.980 1.00 1.00 H new ATOM 0 HA LEU A 37 35.027 17.682 6.463 1.00 1.00 H new ATOM 0 HB2 LEU A 37 33.963 15.998 4.146 1.00 1.00 H new ATOM 0 HB3 LEU A 37 33.006 16.834 5.353 1.00 1.00 H new ATOM 0 HG LEU A 37 34.899 18.182 3.366 1.00 1.00 H new ATOM 0 HD11 LEU A 37 32.802 19.045 2.355 1.00 1.00 H new ATOM 0 HD12 LEU A 37 32.845 17.266 2.318 1.00 1.00 H new ATOM 0 HD13 LEU A 37 31.850 18.107 3.530 1.00 1.00 H new ATOM 0 HD21 LEU A 37 33.897 20.283 4.227 1.00 1.00 H new ATOM 0 HD22 LEU A 37 32.944 19.347 5.402 1.00 1.00 H new ATOM 0 HD23 LEU A 37 34.719 19.388 5.527 1.00 1.00 H new ATOM 546 N VAL A 38 36.339 15.230 7.056 1.00 1.00 N ATOM 547 CA VAL A 38 36.502 13.985 7.799 1.00 1.00 C ATOM 548 C VAL A 38 37.287 14.227 9.084 1.00 1.00 C ATOM 549 O VAL A 38 36.978 13.653 10.129 1.00 1.00 O ATOM 550 CB VAL A 38 37.235 12.956 6.937 1.00 1.00 C ATOM 551 CG1 VAL A 38 37.855 11.884 7.837 1.00 1.00 C ATOM 552 CG2 VAL A 38 36.243 12.299 5.975 1.00 1.00 C ATOM 0 H VAL A 38 37.174 15.815 7.017 1.00 1.00 H new ATOM 0 HA VAL A 38 35.514 13.605 8.057 1.00 1.00 H new ATOM 0 HB VAL A 38 38.021 13.453 6.368 1.00 1.00 H new ATOM 0 HG11 VAL A 38 38.377 11.151 7.223 1.00 1.00 H new ATOM 0 HG12 VAL A 38 38.561 12.350 8.525 1.00 1.00 H new ATOM 0 HG13 VAL A 38 37.069 11.387 8.405 1.00 1.00 H new ATOM 0 HG21 VAL A 38 36.764 11.565 5.360 1.00 1.00 H new ATOM 0 HG22 VAL A 38 35.458 11.802 6.545 1.00 1.00 H new ATOM 0 HG23 VAL A 38 35.799 13.061 5.334 1.00 1.00 H new ATOM 562 N PHE A 39 38.303 15.080 9.000 1.00 1.00 N ATOM 563 CA PHE A 39 39.126 15.390 10.163 1.00 1.00 C ATOM 564 C PHE A 39 38.366 16.291 11.131 1.00 1.00 C ATOM 565 O PHE A 39 38.750 16.436 12.291 1.00 1.00 O ATOM 566 CB PHE A 39 40.415 16.084 9.721 1.00 1.00 C ATOM 567 CG PHE A 39 41.172 16.564 10.937 1.00 1.00 C ATOM 568 CD1 PHE A 39 41.878 15.651 11.728 1.00 1.00 C ATOM 569 CD2 PHE A 39 41.166 17.923 11.273 1.00 1.00 C ATOM 570 CE1 PHE A 39 42.579 16.095 12.855 1.00 1.00 C ATOM 571 CE2 PHE A 39 41.866 18.369 12.401 1.00 1.00 C ATOM 572 CZ PHE A 39 42.573 17.455 13.192 1.00 1.00 C ATOM 0 H PHE A 39 38.575 15.566 8.145 1.00 1.00 H new ATOM 0 HA PHE A 39 39.372 14.457 10.670 1.00 1.00 H new ATOM 0 HB2 PHE A 39 41.032 15.395 9.144 1.00 1.00 H new ATOM 0 HB3 PHE A 39 40.182 16.926 9.069 1.00 1.00 H new ATOM 0 HD1 PHE A 39 41.882 14.603 11.469 1.00 1.00 H new ATOM 0 HD2 PHE A 39 40.621 18.628 10.662 1.00 1.00 H new ATOM 0 HE1 PHE A 39 43.124 15.390 13.465 1.00 1.00 H new ATOM 0 HE2 PHE A 39 41.861 19.417 12.661 1.00 1.00 H new ATOM 0 HZ PHE A 39 43.114 17.798 14.062 1.00 1.00 H new ATOM 582 N LEU A 40 37.287 16.896 10.644 1.00 1.00 N ATOM 583 CA LEU A 40 36.480 17.784 11.473 1.00 1.00 C ATOM 584 C LEU A 40 34.994 17.528 11.243 1.00 1.00 C ATOM 585 O LEU A 40 34.141 18.205 11.816 1.00 1.00 O ATOM 586 CB LEU A 40 36.806 19.243 11.150 1.00 1.00 C ATOM 587 CG LEU A 40 36.426 19.540 9.698 1.00 1.00 C ATOM 588 CD1 LEU A 40 35.159 20.396 9.666 1.00 1.00 C ATOM 589 CD2 LEU A 40 37.569 20.298 9.019 1.00 1.00 C ATOM 0 H LEU A 40 36.953 16.789 9.686 1.00 1.00 H new ATOM 0 HA LEU A 40 36.714 17.585 12.519 1.00 1.00 H new ATOM 0 HB2 LEU A 40 36.262 19.906 11.823 1.00 1.00 H new ATOM 0 HB3 LEU A 40 37.868 19.433 11.305 1.00 1.00 H new ATOM 0 HG LEU A 40 36.245 18.603 9.171 1.00 1.00 H new ATOM 0 HD11 LEU A 40 34.889 20.607 8.631 1.00 1.00 H new ATOM 0 HD12 LEU A 40 34.344 19.858 10.151 1.00 1.00 H new ATOM 0 HD13 LEU A 40 35.340 21.333 10.192 1.00 1.00 H new ATOM 0 HD21 LEU A 40 37.300 20.511 7.984 1.00 1.00 H new ATOM 0 HD22 LEU A 40 37.749 21.234 9.547 1.00 1.00 H new ATOM 0 HD23 LEU A 40 38.473 19.689 9.041 1.00 1.00 H new ATOM 601 N LEU A 41 34.692 16.547 10.398 1.00 1.00 N ATOM 602 CA LEU A 41 33.306 16.211 10.098 1.00 1.00 C ATOM 603 C LEU A 41 33.154 14.710 9.874 1.00 1.00 C ATOM 604 O LEU A 41 32.319 14.271 9.082 1.00 1.00 O ATOM 605 CB LEU A 41 32.845 16.964 8.849 1.00 1.00 C ATOM 606 CG LEU A 41 31.316 17.019 8.820 1.00 1.00 C ATOM 607 CD1 LEU A 41 30.838 18.295 9.517 1.00 1.00 C ATOM 608 CD2 LEU A 41 30.835 17.023 7.367 1.00 1.00 C ATOM 0 H LEU A 41 35.383 15.975 9.913 1.00 1.00 H new ATOM 0 HA LEU A 41 32.689 16.504 10.948 1.00 1.00 H new ATOM 0 HB2 LEU A 41 33.256 17.974 8.848 1.00 1.00 H new ATOM 0 HB3 LEU A 41 33.218 16.467 7.954 1.00 1.00 H new ATOM 0 HG LEU A 41 30.911 16.149 9.336 1.00 1.00 H new ATOM 0 HD11 LEU A 41 29.749 18.335 9.497 1.00 1.00 H new ATOM 0 HD12 LEU A 41 31.182 18.295 10.551 1.00 1.00 H new ATOM 0 HD13 LEU A 41 31.242 19.165 9.000 1.00 1.00 H new ATOM 0 HD21 LEU A 41 29.746 17.062 7.344 1.00 1.00 H new ATOM 0 HD22 LEU A 41 31.240 17.894 6.852 1.00 1.00 H new ATOM 0 HD23 LEU A 41 31.176 16.116 6.868 1.00 1.00 H new ATOM 620 N GLY A 42 33.966 13.926 10.576 1.00 1.00 N ATOM 621 CA GLY A 42 33.914 12.475 10.446 1.00 1.00 C ATOM 622 C GLY A 42 34.738 11.800 11.537 1.00 1.00 C ATOM 623 O GLY A 42 35.203 10.674 11.370 1.00 1.00 O ATOM 0 H GLY A 42 34.664 14.269 11.237 1.00 1.00 H new ATOM 0 HA2 GLY A 42 32.879 12.138 10.505 1.00 1.00 H new ATOM 0 HA3 GLY A 42 34.290 12.180 9.466 1.00 1.00 H new ATOM 627 N THR A 43 34.914 12.499 12.654 1.00 1.00 N ATOM 628 CA THR A 43 35.684 11.958 13.768 1.00 1.00 C ATOM 629 C THR A 43 35.612 12.893 14.972 1.00 1.00 C ATOM 630 O THR A 43 35.697 12.453 16.117 1.00 1.00 O ATOM 631 CB THR A 43 37.145 11.771 13.351 1.00 1.00 C ATOM 632 OG1 THR A 43 37.276 10.556 12.626 1.00 1.00 O ATOM 633 CG2 THR A 43 38.031 11.723 14.597 1.00 1.00 C ATOM 0 H THR A 43 34.537 13.434 12.811 1.00 1.00 H new ATOM 0 HA THR A 43 35.259 10.993 14.045 1.00 1.00 H new ATOM 0 HB THR A 43 37.454 12.605 12.721 1.00 1.00 H new ATOM 0 HG1 THR A 43 36.389 10.238 12.357 1.00 1.00 H new ATOM 0 HG21 THR A 43 39.071 11.590 14.299 1.00 1.00 H new ATOM 0 HG22 THR A 43 37.929 12.656 15.152 1.00 1.00 H new ATOM 0 HG23 THR A 43 37.725 10.889 15.229 1.00 1.00 H new ATOM 641 N THR A 44 35.454 14.185 14.702 1.00 1.00 N ATOM 642 CA THR A 44 35.371 15.173 15.770 1.00 1.00 C ATOM 643 C THR A 44 33.944 15.271 16.299 1.00 1.00 C ATOM 644 O THR A 44 33.722 15.651 17.449 1.00 1.00 O ATOM 645 CB THR A 44 35.820 16.542 15.251 1.00 1.00 C ATOM 646 OG1 THR A 44 37.239 16.588 15.211 1.00 1.00 O ATOM 647 CG2 THR A 44 35.298 17.638 16.180 1.00 1.00 C ATOM 0 H THR A 44 35.381 14.569 13.760 1.00 1.00 H new ATOM 0 HA THR A 44 36.027 14.859 16.582 1.00 1.00 H new ATOM 0 HB THR A 44 35.422 16.700 14.249 1.00 1.00 H new ATOM 0 HG1 THR A 44 37.541 16.564 14.279 1.00 1.00 H new ATOM 0 HG21 THR A 44 35.618 18.612 15.810 1.00 1.00 H new ATOM 0 HG22 THR A 44 34.209 17.601 16.210 1.00 1.00 H new ATOM 0 HG23 THR A 44 35.694 17.483 17.184 1.00 1.00 H new ATOM 655 N GLY A 45 32.979 14.927 15.453 1.00 1.00 N ATOM 656 CA GLY A 45 31.576 14.979 15.846 1.00 1.00 C ATOM 657 C GLY A 45 31.385 14.439 17.259 1.00 1.00 C ATOM 658 O GLY A 45 30.450 14.825 17.961 1.00 1.00 O ATOM 0 H GLY A 45 33.141 14.611 14.497 1.00 1.00 H new ATOM 0 HA2 GLY A 45 31.218 16.007 15.794 1.00 1.00 H new ATOM 0 HA3 GLY A 45 30.977 14.397 15.146 1.00 1.00 H new ATOM 662 N ASN A 46 32.277 13.543 17.670 1.00 1.00 N ATOM 663 CA ASN A 46 32.197 12.955 19.002 1.00 1.00 C ATOM 664 C ASN A 46 33.581 12.875 19.638 1.00 1.00 C ATOM 665 O ASN A 46 33.793 12.131 20.595 1.00 1.00 O ATOM 666 CB ASN A 46 31.590 11.553 18.918 1.00 1.00 C ATOM 667 CG ASN A 46 32.699 10.509 18.840 1.00 1.00 C ATOM 668 OD1 ASN A 46 32.933 9.777 19.801 1.00 1.00 O ATOM 669 ND2 ASN A 46 33.400 10.396 17.744 1.00 1.00 N ATOM 0 H ASN A 46 33.058 13.210 17.104 1.00 1.00 H new ATOM 0 HA ASN A 46 31.562 13.590 19.621 1.00 1.00 H new ATOM 0 HB2 ASN A 46 30.964 11.366 19.790 1.00 1.00 H new ATOM 0 HB3 ASN A 46 30.946 11.478 18.042 1.00 1.00 H new ATOM 0 HD21 ASN A 46 34.143 9.700 17.683 1.00 1.00 H new ATOM 0 HD22 ASN A 46 33.204 11.004 16.949 1.00 1.00 H new ATOM 676 N GLY A 47 34.520 13.647 19.098 1.00 1.00 N ATOM 677 CA GLY A 47 35.881 13.655 19.621 1.00 1.00 C ATOM 678 C GLY A 47 36.088 14.819 20.584 1.00 1.00 C ATOM 679 O GLY A 47 37.189 15.356 20.696 1.00 1.00 O ATOM 0 H GLY A 47 34.365 14.270 18.305 1.00 1.00 H new ATOM 0 HA2 GLY A 47 36.084 12.714 20.133 1.00 1.00 H new ATOM 0 HA3 GLY A 47 36.591 13.729 18.797 1.00 1.00 H new ATOM 683 N LEU A 48 35.020 15.203 21.276 1.00 1.00 N ATOM 684 CA LEU A 48 35.096 16.306 22.228 1.00 1.00 C ATOM 685 C LEU A 48 35.371 15.782 23.634 1.00 1.00 C ATOM 686 O LEU A 48 35.419 16.549 24.595 1.00 1.00 O ATOM 687 CB LEU A 48 33.779 17.089 22.225 1.00 1.00 C ATOM 688 CG LEU A 48 33.742 18.052 21.031 1.00 1.00 C ATOM 689 CD1 LEU A 48 34.756 19.188 21.224 1.00 1.00 C ATOM 690 CD2 LEU A 48 34.083 17.285 19.752 1.00 1.00 C ATOM 0 H LEU A 48 34.099 14.771 21.197 1.00 1.00 H new ATOM 0 HA LEU A 48 35.913 16.963 21.930 1.00 1.00 H new ATOM 0 HB2 LEU A 48 32.937 16.399 22.172 1.00 1.00 H new ATOM 0 HB3 LEU A 48 33.676 17.647 23.156 1.00 1.00 H new ATOM 0 HG LEU A 48 32.742 18.480 20.956 1.00 1.00 H new ATOM 0 HD11 LEU A 48 34.716 19.861 20.368 1.00 1.00 H new ATOM 0 HD12 LEU A 48 34.515 19.741 22.132 1.00 1.00 H new ATOM 0 HD13 LEU A 48 35.759 18.770 21.310 1.00 1.00 H new ATOM 0 HD21 LEU A 48 34.058 17.966 18.901 1.00 1.00 H new ATOM 0 HD22 LEU A 48 35.080 16.853 19.841 1.00 1.00 H new ATOM 0 HD23 LEU A 48 33.355 16.488 19.600 1.00 1.00 H new ATOM 702 N VAL A 49 35.550 14.469 23.746 1.00 1.00 N ATOM 703 CA VAL A 49 35.817 13.854 25.042 1.00 1.00 C ATOM 704 C VAL A 49 37.307 13.573 25.207 1.00 1.00 C ATOM 705 O VAL A 49 37.856 13.712 26.300 1.00 1.00 O ATOM 706 CB VAL A 49 35.032 12.547 25.170 1.00 1.00 C ATOM 707 CG1 VAL A 49 35.435 11.834 26.461 1.00 1.00 C ATOM 708 CG2 VAL A 49 33.533 12.854 25.204 1.00 1.00 C ATOM 0 H VAL A 49 35.516 13.816 22.963 1.00 1.00 H new ATOM 0 HA VAL A 49 35.502 14.546 25.823 1.00 1.00 H new ATOM 0 HB VAL A 49 35.253 11.906 24.317 1.00 1.00 H new ATOM 0 HG11 VAL A 49 34.876 10.903 26.552 1.00 1.00 H new ATOM 0 HG12 VAL A 49 36.503 11.615 26.438 1.00 1.00 H new ATOM 0 HG13 VAL A 49 35.214 12.475 27.315 1.00 1.00 H new ATOM 0 HG21 VAL A 49 32.973 11.923 25.295 1.00 1.00 H new ATOM 0 HG22 VAL A 49 33.312 13.495 26.057 1.00 1.00 H new ATOM 0 HG23 VAL A 49 33.245 13.362 24.284 1.00 1.00 H new ATOM 718 N LEU A 50 37.954 13.174 24.118 1.00 1.00 N ATOM 719 CA LEU A 50 39.382 12.873 24.158 1.00 1.00 C ATOM 720 C LEU A 50 40.198 14.071 23.685 1.00 1.00 C ATOM 721 O LEU A 50 41.428 14.020 23.648 1.00 1.00 O ATOM 722 CB LEU A 50 39.690 11.662 23.275 1.00 1.00 C ATOM 723 CG LEU A 50 38.749 11.651 22.069 1.00 1.00 C ATOM 724 CD1 LEU A 50 39.461 11.017 20.873 1.00 1.00 C ATOM 725 CD2 LEU A 50 37.497 10.836 22.405 1.00 1.00 C ATOM 0 H LEU A 50 37.518 13.052 23.204 1.00 1.00 H new ATOM 0 HA LEU A 50 39.654 12.647 25.189 1.00 1.00 H new ATOM 0 HB2 LEU A 50 40.726 11.699 22.939 1.00 1.00 H new ATOM 0 HB3 LEU A 50 39.573 10.742 23.848 1.00 1.00 H new ATOM 0 HG LEU A 50 38.463 12.674 21.823 1.00 1.00 H new ATOM 0 HD11 LEU A 50 38.791 11.009 20.013 1.00 1.00 H new ATOM 0 HD12 LEU A 50 40.353 11.595 20.632 1.00 1.00 H new ATOM 0 HD13 LEU A 50 39.747 9.995 21.120 1.00 1.00 H new ATOM 0 HD21 LEU A 50 36.826 10.828 21.546 1.00 1.00 H new ATOM 0 HD22 LEU A 50 37.784 9.814 22.651 1.00 1.00 H new ATOM 0 HD23 LEU A 50 36.988 11.285 23.258 1.00 1.00 H new ATOM 737 N TRP A 51 39.509 15.149 23.324 1.00 1.00 N ATOM 738 CA TRP A 51 40.186 16.354 22.857 1.00 1.00 C ATOM 739 C TRP A 51 40.624 17.212 24.039 1.00 1.00 C ATOM 740 O TRP A 51 41.786 17.604 24.139 1.00 1.00 O ATOM 741 CB TRP A 51 39.254 17.163 21.955 1.00 1.00 C ATOM 742 CG TRP A 51 39.450 18.621 22.221 1.00 1.00 C ATOM 743 CD1 TRP A 51 40.509 19.352 21.804 1.00 1.00 C ATOM 744 CD2 TRP A 51 38.584 19.537 22.954 1.00 1.00 C ATOM 745 NE1 TRP A 51 40.349 20.657 22.234 1.00 1.00 N ATOM 746 CE2 TRP A 51 39.178 20.821 22.947 1.00 1.00 C ATOM 747 CE3 TRP A 51 37.354 19.378 23.617 1.00 1.00 C ATOM 748 CZ2 TRP A 51 38.573 21.909 23.576 1.00 1.00 C ATOM 749 CZ3 TRP A 51 36.743 20.472 24.252 1.00 1.00 C ATOM 750 CH2 TRP A 51 37.351 21.735 24.231 1.00 1.00 C ATOM 0 H TRP A 51 38.491 15.213 23.345 1.00 1.00 H new ATOM 0 HA TRP A 51 41.068 16.056 22.290 1.00 1.00 H new ATOM 0 HB2 TRP A 51 39.461 16.942 20.908 1.00 1.00 H new ATOM 0 HB3 TRP A 51 38.217 16.884 22.141 1.00 1.00 H new ATOM 0 HD1 TRP A 51 41.343 18.978 21.229 1.00 1.00 H new ATOM 0 HE1 TRP A 51 41.015 21.407 22.047 1.00 1.00 H new ATOM 0 HE3 TRP A 51 36.877 18.410 23.638 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 39.046 22.880 23.557 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 35.799 20.339 24.760 1.00 1.00 H new ATOM 0 HH2 TRP A 51 36.876 22.572 24.720 1.00 1.00 H new ATOM 761 N THR A 52 39.684 17.500 24.933 1.00 1.00 N ATOM 762 CA THR A 52 39.983 18.313 26.106 1.00 1.00 C ATOM 763 C THR A 52 40.871 17.544 27.076 1.00 1.00 C ATOM 764 O THR A 52 41.770 18.111 27.696 1.00 1.00 O ATOM 765 CB THR A 52 38.684 18.713 26.809 1.00 1.00 C ATOM 766 OG1 THR A 52 38.969 19.090 28.149 1.00 1.00 O ATOM 767 CG2 THR A 52 37.707 17.534 26.806 1.00 1.00 C ATOM 0 H THR A 52 38.716 17.185 24.869 1.00 1.00 H new ATOM 0 HA THR A 52 40.510 19.209 25.780 1.00 1.00 H new ATOM 0 HB THR A 52 38.233 19.553 26.281 1.00 1.00 H new ATOM 0 HG1 THR A 52 38.138 19.348 28.600 1.00 1.00 H new ATOM 0 HG21 THR A 52 36.784 17.825 27.308 1.00 1.00 H new ATOM 0 HG22 THR A 52 37.486 17.247 25.778 1.00 1.00 H new ATOM 0 HG23 THR A 52 38.154 16.689 27.330 1.00 1.00 H new ATOM 775 N VAL A 53 40.610 16.249 27.201 1.00 1.00 N ATOM 776 CA VAL A 53 41.388 15.404 28.099 1.00 1.00 C ATOM 777 C VAL A 53 42.768 15.121 27.510 1.00 1.00 C ATOM 778 O VAL A 53 43.695 14.751 28.230 1.00 1.00 O ATOM 779 CB VAL A 53 40.654 14.085 28.342 1.00 1.00 C ATOM 780 CG1 VAL A 53 41.546 13.151 29.164 1.00 1.00 C ATOM 781 CG2 VAL A 53 39.360 14.358 29.112 1.00 1.00 C ATOM 0 H VAL A 53 39.870 15.763 26.695 1.00 1.00 H new ATOM 0 HA VAL A 53 41.511 15.930 29.046 1.00 1.00 H new ATOM 0 HB VAL A 53 40.418 13.617 27.386 1.00 1.00 H new ATOM 0 HG11 VAL A 53 41.024 12.210 29.338 1.00 1.00 H new ATOM 0 HG12 VAL A 53 42.470 12.958 28.619 1.00 1.00 H new ATOM 0 HG13 VAL A 53 41.779 13.619 30.120 1.00 1.00 H new ATOM 0 HG21 VAL A 53 38.835 13.419 29.286 1.00 1.00 H new ATOM 0 HG22 VAL A 53 39.597 14.824 30.068 1.00 1.00 H new ATOM 0 HG23 VAL A 53 38.725 15.026 28.531 1.00 1.00 H new ATOM 791 N PHE A 54 42.894 15.296 26.199 1.00 1.00 N ATOM 792 CA PHE A 54 44.166 15.054 25.526 1.00 1.00 C ATOM 793 C PHE A 54 45.195 16.105 25.931 1.00 1.00 C ATOM 794 O PHE A 54 46.220 15.786 26.532 1.00 1.00 O ATOM 795 CB PHE A 54 43.970 15.086 24.010 1.00 1.00 C ATOM 796 CG PHE A 54 45.186 15.699 23.357 1.00 1.00 C ATOM 797 CD1 PHE A 54 46.346 14.935 23.183 1.00 1.00 C ATOM 798 CD2 PHE A 54 45.153 17.031 22.926 1.00 1.00 C ATOM 799 CE1 PHE A 54 47.474 15.503 22.578 1.00 1.00 C ATOM 800 CE2 PHE A 54 46.281 17.598 22.320 1.00 1.00 C ATOM 801 CZ PHE A 54 47.441 16.835 22.146 1.00 1.00 C ATOM 0 H PHE A 54 42.139 15.602 25.585 1.00 1.00 H new ATOM 0 HA PHE A 54 44.531 14.071 25.823 1.00 1.00 H new ATOM 0 HB2 PHE A 54 43.811 14.076 23.632 1.00 1.00 H new ATOM 0 HB3 PHE A 54 43.080 15.663 23.760 1.00 1.00 H new ATOM 0 HD1 PHE A 54 46.371 13.908 23.515 1.00 1.00 H new ATOM 0 HD2 PHE A 54 44.258 17.621 23.061 1.00 1.00 H new ATOM 0 HE1 PHE A 54 48.369 14.914 22.445 1.00 1.00 H new ATOM 0 HE2 PHE A 54 46.256 18.625 21.987 1.00 1.00 H new ATOM 0 HZ PHE A 54 48.311 17.273 21.679 1.00 1.00 H new ATOM 811 N ARG A 55 44.912 17.361 25.598 1.00 1.00 N ATOM 812 CA ARG A 55 45.820 18.453 25.933 1.00 1.00 C ATOM 813 C ARG A 55 46.020 18.539 27.443 1.00 1.00 C ATOM 814 O ARG A 55 46.782 19.373 27.931 1.00 1.00 O ATOM 815 CB ARG A 55 45.259 19.777 25.412 1.00 1.00 C ATOM 816 CG ARG A 55 43.901 20.049 26.063 1.00 1.00 C ATOM 817 CD ARG A 55 42.961 20.683 25.037 1.00 1.00 C ATOM 818 NE ARG A 55 43.679 21.671 24.238 1.00 1.00 N ATOM 819 CZ ARG A 55 44.096 22.814 24.773 1.00 1.00 C ATOM 820 NH1 ARG A 55 43.865 23.069 26.031 1.00 1.00 N ATOM 821 NH2 ARG A 55 44.738 23.682 24.038 1.00 1.00 N ATOM 0 H ARG A 55 44.068 17.646 25.101 1.00 1.00 H new ATOM 0 HA ARG A 55 46.783 18.258 25.462 1.00 1.00 H new ATOM 0 HB2 ARG A 55 45.950 20.590 25.635 1.00 1.00 H new ATOM 0 HB3 ARG A 55 45.153 19.737 24.328 1.00 1.00 H new ATOM 0 HG2 ARG A 55 43.473 19.119 26.438 1.00 1.00 H new ATOM 0 HG3 ARG A 55 44.023 20.712 26.919 1.00 1.00 H new ATOM 0 HD2 ARG A 55 42.546 19.912 24.388 1.00 1.00 H new ATOM 0 HD3 ARG A 55 42.122 21.157 25.546 1.00 1.00 H new ATOM 0 HE ARG A 55 43.864 21.481 23.253 1.00 1.00 H new ATOM 0 HH11 ARG A 55 43.364 22.391 26.605 1.00 1.00 H new ATOM 0 HH12 ARG A 55 44.185 23.946 26.441 1.00 1.00 H new ATOM 0 HH21 ARG A 55 44.919 23.482 23.054 1.00 1.00 H new ATOM 0 HH22 ARG A 55 45.058 24.559 24.448 1.00 1.00 H new ATOM 835 N LYS A 56 45.331 17.672 28.176 1.00 1.00 N ATOM 836 CA LYS A 56 45.436 17.655 29.626 1.00 1.00 C ATOM 837 C LYS A 56 46.415 16.570 30.070 1.00 1.00 C ATOM 838 O LYS A 56 47.450 16.863 30.669 1.00 1.00 O ATOM 839 CB LYS A 56 44.051 17.402 30.229 1.00 1.00 C ATOM 840 CG LYS A 56 44.155 17.267 31.751 1.00 1.00 C ATOM 841 CD LYS A 56 43.920 15.810 32.169 1.00 1.00 C ATOM 842 CE LYS A 56 42.418 15.513 32.161 1.00 1.00 C ATOM 843 NZ LYS A 56 41.828 15.908 33.471 1.00 1.00 N ATOM 0 H LYS A 56 44.696 16.974 27.789 1.00 1.00 H new ATOM 0 HA LYS A 56 45.810 18.618 29.975 1.00 1.00 H new ATOM 0 HB2 LYS A 56 43.380 18.222 29.974 1.00 1.00 H new ATOM 0 HB3 LYS A 56 43.621 16.495 29.804 1.00 1.00 H new ATOM 0 HG2 LYS A 56 45.139 17.595 32.086 1.00 1.00 H new ATOM 0 HG3 LYS A 56 43.422 17.914 32.232 1.00 1.00 H new ATOM 0 HD2 LYS A 56 44.438 15.136 31.487 1.00 1.00 H new ATOM 0 HD3 LYS A 56 44.331 15.635 33.163 1.00 1.00 H new ATOM 0 HE2 LYS A 56 41.933 16.059 31.352 1.00 1.00 H new ATOM 0 HE3 LYS A 56 42.247 14.452 31.978 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 40.808 15.707 33.467 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 42.284 15.368 34.234 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 41.980 16.925 33.628 1.00 1.00 H new