USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=15 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 X(o=0,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 : 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 -124:sc= 0.268 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+ 168:sc= -0.907 (180deg=-1.25) USER MOD Single : A 26 SER OG : rot -37:sc= -2.11! USER MOD Single : A 27 SER OG : rot -28:sc= 0.718 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -129:sc= -0.0774 (180deg=-0.5) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.008 K(o=-0.008,f=-0.71) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -143:sc= -0.0138 (180deg=-0.144) USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 63.567 -22.038 -13.237 1.00 1.00 N ATOM 58 CA GLY A 5 64.557 -21.104 -12.714 1.00 1.00 C ATOM 59 C GLY A 5 64.508 -21.055 -11.192 1.00 1.00 C ATOM 60 O GLY A 5 63.523 -20.604 -10.606 1.00 1.00 O ATOM 0 HA2 GLY A 5 65.553 -21.403 -13.040 1.00 1.00 H new ATOM 0 HA3 GLY A 5 64.374 -20.109 -13.120 1.00 1.00 H new ATOM 64 N ASP A 6 65.576 -21.525 -10.555 1.00 1.00 N ATOM 65 CA ASP A 6 65.645 -21.532 -9.100 1.00 1.00 C ATOM 66 C ASP A 6 65.798 -20.114 -8.560 1.00 1.00 C ATOM 67 O ASP A 6 66.551 -19.877 -7.616 1.00 1.00 O ATOM 68 CB ASP A 6 66.826 -22.386 -8.638 1.00 1.00 C ATOM 69 CG ASP A 6 66.546 -22.958 -7.253 1.00 1.00 C ATOM 70 OD1 ASP A 6 66.621 -22.205 -6.296 1.00 1.00 O ATOM 71 OD2 ASP A 6 66.261 -24.142 -7.168 1.00 1.00 O ATOM 0 H ASP A 6 66.400 -21.904 -11.021 1.00 1.00 H new ATOM 0 HA ASP A 6 64.717 -21.955 -8.715 1.00 1.00 H new ATOM 0 HB2 ASP A 6 66.999 -23.196 -9.347 1.00 1.00 H new ATOM 0 HB3 ASP A 6 67.734 -21.783 -8.615 1.00 1.00 H new ATOM 76 N PHE A 7 65.080 -19.173 -9.166 1.00 1.00 N ATOM 77 CA PHE A 7 65.146 -17.780 -8.736 1.00 1.00 C ATOM 78 C PHE A 7 63.927 -17.009 -9.230 1.00 1.00 C ATOM 79 O PHE A 7 63.482 -16.056 -8.590 1.00 1.00 O ATOM 80 CB PHE A 7 66.419 -17.127 -9.276 1.00 1.00 C ATOM 81 CG PHE A 7 66.049 -16.014 -10.226 1.00 1.00 C ATOM 82 CD1 PHE A 7 65.806 -14.725 -9.735 1.00 1.00 C ATOM 83 CD2 PHE A 7 65.949 -16.269 -11.599 1.00 1.00 C ATOM 84 CE1 PHE A 7 65.464 -13.693 -10.616 1.00 1.00 C ATOM 85 CE2 PHE A 7 65.606 -15.237 -12.481 1.00 1.00 C ATOM 86 CZ PHE A 7 65.363 -13.949 -11.989 1.00 1.00 C ATOM 0 H PHE A 7 64.451 -19.347 -9.950 1.00 1.00 H new ATOM 0 HA PHE A 7 65.160 -17.756 -7.646 1.00 1.00 H new ATOM 0 HB2 PHE A 7 67.016 -16.734 -8.453 1.00 1.00 H new ATOM 0 HB3 PHE A 7 67.032 -17.869 -9.789 1.00 1.00 H new ATOM 0 HD1 PHE A 7 65.883 -14.527 -8.676 1.00 1.00 H new ATOM 0 HD2 PHE A 7 66.137 -17.263 -11.978 1.00 1.00 H new ATOM 0 HE1 PHE A 7 65.278 -12.699 -10.237 1.00 1.00 H new ATOM 0 HE2 PHE A 7 65.529 -15.434 -13.540 1.00 1.00 H new ATOM 0 HZ PHE A 7 65.098 -13.153 -12.669 1.00 1.00 H new ATOM 96 N ASP A 8 63.391 -17.427 -10.371 1.00 1.00 N ATOM 97 CA ASP A 8 62.222 -16.768 -10.942 1.00 1.00 C ATOM 98 C ASP A 8 61.079 -16.734 -9.932 1.00 1.00 C ATOM 99 O ASP A 8 60.421 -17.746 -9.692 1.00 1.00 O ATOM 100 CB ASP A 8 61.769 -17.506 -12.204 1.00 1.00 C ATOM 101 CG ASP A 8 62.125 -16.690 -13.441 1.00 1.00 C ATOM 102 OD1 ASP A 8 61.816 -15.509 -13.457 1.00 1.00 O ATOM 103 OD2 ASP A 8 62.701 -17.257 -14.356 1.00 1.00 O ATOM 0 H ASP A 8 63.744 -18.214 -10.916 1.00 1.00 H new ATOM 0 HA ASP A 8 62.495 -15.745 -11.199 1.00 1.00 H new ATOM 0 HB2 ASP A 8 62.246 -18.485 -12.254 1.00 1.00 H new ATOM 0 HB3 ASP A 8 60.693 -17.678 -12.169 1.00 1.00 H new ATOM 108 N ASN A 9 60.849 -15.564 -9.345 1.00 1.00 N ATOM 109 CA ASN A 9 59.783 -15.410 -8.362 1.00 1.00 C ATOM 110 C ASN A 9 59.340 -13.954 -8.276 1.00 1.00 C ATOM 111 O ASN A 9 58.790 -13.521 -7.263 1.00 1.00 O ATOM 112 CB ASN A 9 60.266 -15.882 -6.989 1.00 1.00 C ATOM 113 CG ASN A 9 59.259 -16.855 -6.388 1.00 1.00 C ATOM 114 OD1 ASN A 9 59.308 -18.053 -6.667 1.00 1.00 O ATOM 115 ND2 ASN A 9 58.341 -16.410 -5.573 1.00 1.00 N ATOM 0 H ASN A 9 61.382 -14.715 -9.531 1.00 1.00 H new ATOM 0 HA ASN A 9 58.934 -16.017 -8.676 1.00 1.00 H new ATOM 0 HB2 ASN A 9 61.239 -16.365 -7.083 1.00 1.00 H new ATOM 0 HB3 ASN A 9 60.397 -15.026 -6.327 1.00 1.00 H new ATOM 0 HD21 ASN A 9 57.663 -17.055 -5.167 1.00 1.00 H new ATOM 0 HD22 ASN A 9 58.301 -15.417 -5.343 1.00 1.00 H new ATOM 122 N TYR A 10 59.583 -13.202 -9.345 1.00 1.00 N ATOM 123 CA TYR A 10 59.205 -11.793 -9.378 1.00 1.00 C ATOM 124 C TYR A 10 60.046 -10.990 -8.392 1.00 1.00 C ATOM 125 O TYR A 10 60.851 -10.147 -8.790 1.00 1.00 O ATOM 126 CB TYR A 10 57.723 -11.643 -9.029 1.00 1.00 C ATOM 127 CG TYR A 10 56.969 -12.866 -9.496 1.00 1.00 C ATOM 128 CD1 TYR A 10 57.184 -13.372 -10.783 1.00 1.00 C ATOM 129 CD2 TYR A 10 56.055 -13.492 -8.640 1.00 1.00 C ATOM 130 CE1 TYR A 10 56.485 -14.506 -11.215 1.00 1.00 C ATOM 131 CE2 TYR A 10 55.355 -14.625 -9.073 1.00 1.00 C ATOM 132 CZ TYR A 10 55.571 -15.132 -10.360 1.00 1.00 C ATOM 133 OH TYR A 10 54.882 -16.249 -10.786 1.00 1.00 O ATOM 0 H TYR A 10 60.036 -13.541 -10.194 1.00 1.00 H new ATOM 0 HA TYR A 10 59.382 -11.411 -10.383 1.00 1.00 H new ATOM 0 HB2 TYR A 10 57.603 -11.517 -7.953 1.00 1.00 H new ATOM 0 HB3 TYR A 10 57.316 -10.749 -9.502 1.00 1.00 H new ATOM 0 HD1 TYR A 10 57.889 -12.888 -11.443 1.00 1.00 H new ATOM 0 HD2 TYR A 10 55.890 -13.102 -7.647 1.00 1.00 H new ATOM 0 HE1 TYR A 10 56.651 -14.897 -12.208 1.00 1.00 H new ATOM 0 HE2 TYR A 10 54.648 -15.108 -8.414 1.00 1.00 H new ATOM 0 HH TYR A 10 54.289 -16.560 -10.071 1.00 1.00 H new ATOM 143 N TYR A 11 59.854 -11.255 -7.103 1.00 1.00 N ATOM 144 CA TYR A 11 60.601 -10.550 -6.069 1.00 1.00 C ATOM 145 C TYR A 11 60.201 -9.079 -6.029 1.00 1.00 C ATOM 146 O TYR A 11 60.148 -8.411 -7.061 1.00 1.00 O ATOM 147 CB TYR A 11 62.102 -10.666 -6.337 1.00 1.00 C ATOM 148 CG TYR A 11 62.833 -10.869 -5.032 1.00 1.00 C ATOM 149 CD1 TYR A 11 63.004 -12.162 -4.521 1.00 1.00 C ATOM 150 CD2 TYR A 11 63.340 -9.767 -4.333 1.00 1.00 C ATOM 151 CE1 TYR A 11 63.682 -12.351 -3.311 1.00 1.00 C ATOM 152 CE2 TYR A 11 64.018 -9.957 -3.123 1.00 1.00 C ATOM 153 CZ TYR A 11 64.189 -11.248 -2.611 1.00 1.00 C ATOM 154 OH TYR A 11 64.857 -11.435 -1.419 1.00 1.00 O ATOM 0 H TYR A 11 59.192 -11.948 -6.752 1.00 1.00 H new ATOM 0 HA TYR A 11 60.369 -11.004 -5.106 1.00 1.00 H new ATOM 0 HB2 TYR A 11 62.298 -11.501 -7.010 1.00 1.00 H new ATOM 0 HB3 TYR A 11 62.464 -9.765 -6.833 1.00 1.00 H new ATOM 0 HD1 TYR A 11 62.613 -13.012 -5.060 1.00 1.00 H new ATOM 0 HD2 TYR A 11 63.208 -8.770 -4.727 1.00 1.00 H new ATOM 0 HE1 TYR A 11 63.814 -13.348 -2.917 1.00 1.00 H new ATOM 0 HE2 TYR A 11 64.409 -9.107 -2.584 1.00 1.00 H new ATOM 0 HH TYR A 11 65.144 -10.567 -1.065 1.00 1.00 H new ATOM 164 N GLY A 12 59.919 -8.579 -4.829 1.00 1.00 N ATOM 165 CA GLY A 12 59.526 -7.185 -4.666 1.00 1.00 C ATOM 166 C GLY A 12 58.558 -6.760 -5.766 1.00 1.00 C ATOM 167 O GLY A 12 58.734 -5.716 -6.393 1.00 1.00 O ATOM 0 H GLY A 12 59.955 -9.115 -3.962 1.00 1.00 H new ATOM 0 HA2 GLY A 12 59.058 -7.046 -3.691 1.00 1.00 H new ATOM 0 HA3 GLY A 12 60.411 -6.549 -4.689 1.00 1.00 H new ATOM 171 N ALA A 13 57.534 -7.577 -5.994 1.00 1.00 N ATOM 172 CA ALA A 13 56.544 -7.275 -7.021 1.00 1.00 C ATOM 173 C ALA A 13 55.493 -6.309 -6.485 1.00 1.00 C ATOM 174 O ALA A 13 54.846 -5.594 -7.250 1.00 1.00 O ATOM 175 CB ALA A 13 55.864 -8.565 -7.485 1.00 1.00 C ATOM 0 H ALA A 13 57.369 -8.446 -5.486 1.00 1.00 H new ATOM 0 HA ALA A 13 57.053 -6.808 -7.864 1.00 1.00 H new ATOM 0 HB1 ALA A 13 55.126 -8.332 -8.252 1.00 1.00 H new ATOM 0 HB2 ALA A 13 56.612 -9.243 -7.896 1.00 1.00 H new ATOM 0 HB3 ALA A 13 55.369 -9.040 -6.638 1.00 1.00 H new ATOM 181 N ASP A 14 55.330 -6.292 -5.166 1.00 1.00 N ATOM 182 CA ASP A 14 54.355 -5.408 -4.539 1.00 1.00 C ATOM 183 C ASP A 14 54.599 -3.960 -4.952 1.00 1.00 C ATOM 184 O ASP A 14 53.662 -3.170 -5.066 1.00 1.00 O ATOM 185 CB ASP A 14 54.444 -5.528 -3.016 1.00 1.00 C ATOM 186 CG ASP A 14 55.698 -4.820 -2.510 1.00 1.00 C ATOM 187 OD1 ASP A 14 55.683 -3.602 -2.453 1.00 1.00 O ATOM 188 OD2 ASP A 14 56.653 -5.506 -2.189 1.00 1.00 O ATOM 0 H ASP A 14 55.856 -6.875 -4.515 1.00 1.00 H new ATOM 0 HA ASP A 14 53.360 -5.705 -4.869 1.00 1.00 H new ATOM 0 HB2 ASP A 14 53.558 -5.090 -2.556 1.00 1.00 H new ATOM 0 HB3 ASP A 14 54.467 -6.579 -2.726 1.00 1.00 H new ATOM 193 N ASN A 15 55.864 -3.619 -5.176 1.00 1.00 N ATOM 194 CA ASN A 15 56.220 -2.263 -5.577 1.00 1.00 C ATOM 195 C ASN A 15 55.239 -1.738 -6.620 1.00 1.00 C ATOM 196 O ASN A 15 54.784 -0.597 -6.539 1.00 1.00 O ATOM 197 CB ASN A 15 57.637 -2.243 -6.151 1.00 1.00 C ATOM 198 CG ASN A 15 58.535 -1.358 -5.295 1.00 1.00 C ATOM 199 OD1 ASN A 15 59.189 -1.844 -4.371 1.00 1.00 O ATOM 200 ND2 ASN A 15 58.607 -0.080 -5.547 1.00 1.00 N ATOM 0 H ASN A 15 56.654 -4.258 -5.087 1.00 1.00 H new ATOM 0 HA ASN A 15 56.176 -1.621 -4.697 1.00 1.00 H new ATOM 0 HB2 ASN A 15 58.038 -3.256 -6.186 1.00 1.00 H new ATOM 0 HB3 ASN A 15 57.618 -1.872 -7.176 1.00 1.00 H new ATOM 0 HD21 ASN A 15 59.206 0.519 -4.978 1.00 1.00 H new ATOM 0 HD22 ASN A 15 58.065 0.320 -6.313 1.00 1.00 H new ATOM 207 N GLN A 16 54.917 -2.577 -7.598 1.00 1.00 N ATOM 208 CA GLN A 16 53.988 -2.186 -8.652 1.00 1.00 C ATOM 209 C GLN A 16 52.574 -2.657 -8.322 1.00 1.00 C ATOM 210 O GLN A 16 51.859 -3.158 -9.190 1.00 1.00 O ATOM 211 CB GLN A 16 54.430 -2.788 -9.988 1.00 1.00 C ATOM 212 CG GLN A 16 55.937 -2.593 -10.161 1.00 1.00 C ATOM 213 CD GLN A 16 56.295 -2.592 -11.643 1.00 1.00 C ATOM 214 OE1 GLN A 16 56.054 -3.575 -12.343 1.00 1.00 O ATOM 215 NE2 GLN A 16 56.859 -1.537 -12.167 1.00 1.00 N ATOM 0 H GLN A 16 55.282 -3.526 -7.683 1.00 1.00 H new ATOM 0 HA GLN A 16 53.989 -1.099 -8.726 1.00 1.00 H new ATOM 0 HB2 GLN A 16 54.184 -3.849 -10.020 1.00 1.00 H new ATOM 0 HB3 GLN A 16 53.894 -2.311 -10.809 1.00 1.00 H new ATOM 0 HG2 GLN A 16 56.245 -1.653 -9.703 1.00 1.00 H new ATOM 0 HG3 GLN A 16 56.476 -3.389 -9.648 1.00 1.00 H new ATOM 0 HE21 GLN A 16 57.058 -0.723 -11.585 1.00 1.00 H new ATOM 0 HE22 GLN A 16 57.100 -1.527 -13.158 1.00 1.00 H new ATOM 224 N SER A 17 52.179 -2.490 -7.065 1.00 1.00 N ATOM 225 CA SER A 17 50.849 -2.903 -6.632 1.00 1.00 C ATOM 226 C SER A 17 50.259 -1.880 -5.665 1.00 1.00 C ATOM 227 O SER A 17 50.755 -0.759 -5.554 1.00 1.00 O ATOM 228 CB SER A 17 50.921 -4.269 -5.951 1.00 1.00 C ATOM 229 OG SER A 17 49.608 -4.797 -5.817 1.00 1.00 O ATOM 0 H SER A 17 52.755 -2.075 -6.333 1.00 1.00 H new ATOM 0 HA SER A 17 50.206 -2.970 -7.510 1.00 1.00 H new ATOM 0 HB2 SER A 17 51.540 -4.948 -6.537 1.00 1.00 H new ATOM 0 HB3 SER A 17 51.389 -4.175 -4.971 1.00 1.00 H new ATOM 0 HG SER A 17 49.433 -5.005 -4.875 1.00 1.00 H new ATOM 235 N GLU A 18 49.198 -2.275 -4.969 1.00 1.00 N ATOM 236 CA GLU A 18 48.549 -1.385 -4.014 1.00 1.00 C ATOM 237 C GLU A 18 49.589 -0.615 -3.207 1.00 1.00 C ATOM 238 O GLU A 18 50.115 -1.117 -2.213 1.00 1.00 O ATOM 239 CB GLU A 18 47.661 -2.193 -3.067 1.00 1.00 C ATOM 240 CG GLU A 18 47.031 -1.257 -2.034 1.00 1.00 C ATOM 241 CD GLU A 18 45.926 -1.985 -1.276 1.00 1.00 C ATOM 242 OE1 GLU A 18 45.007 -2.462 -1.921 1.00 1.00 O ATOM 243 OE2 GLU A 18 46.015 -2.054 -0.061 1.00 1.00 O ATOM 0 H GLU A 18 48.772 -3.198 -5.047 1.00 1.00 H new ATOM 0 HA GLU A 18 47.936 -0.674 -4.568 1.00 1.00 H new ATOM 0 HB2 GLU A 18 46.882 -2.706 -3.631 1.00 1.00 H new ATOM 0 HB3 GLU A 18 48.250 -2.961 -2.566 1.00 1.00 H new ATOM 0 HG2 GLU A 18 47.792 -0.907 -1.337 1.00 1.00 H new ATOM 0 HG3 GLU A 18 46.624 -0.376 -2.530 1.00 1.00 H new ATOM 250 N CYS A 19 49.881 0.607 -3.640 1.00 1.00 N ATOM 251 CA CYS A 19 50.860 1.439 -2.949 1.00 1.00 C ATOM 252 C CYS A 19 50.497 2.914 -3.080 1.00 1.00 C ATOM 253 O CYS A 19 50.969 3.602 -3.984 1.00 1.00 O ATOM 254 CB CYS A 19 52.253 1.200 -3.533 1.00 1.00 C ATOM 255 SG CYS A 19 53.506 1.757 -2.352 1.00 1.00 S ATOM 0 H CYS A 19 49.457 1.041 -4.460 1.00 1.00 H new ATOM 0 HA CYS A 19 50.858 1.169 -1.893 1.00 1.00 H new ATOM 0 HB2 CYS A 19 52.390 0.141 -3.753 1.00 1.00 H new ATOM 0 HB3 CYS A 19 52.361 1.738 -4.475 1.00 1.00 H new ATOM 0 HG CYS A 19 54.690 1.552 -2.847 1.00 1.00 H new ATOM 261 N GLU A 20 49.655 3.392 -2.170 1.00 1.00 N ATOM 262 CA GLU A 20 49.233 4.789 -2.192 1.00 1.00 C ATOM 263 C GLU A 20 48.523 5.113 -3.502 1.00 1.00 C ATOM 264 O GLU A 20 48.220 6.273 -3.783 1.00 1.00 O ATOM 265 CB GLU A 20 50.449 5.704 -2.026 1.00 1.00 C ATOM 266 CG GLU A 20 51.331 5.181 -0.891 1.00 1.00 C ATOM 267 CD GLU A 20 50.524 5.094 0.400 1.00 1.00 C ATOM 268 OE1 GLU A 20 49.592 5.868 0.546 1.00 1.00 O ATOM 269 OE2 GLU A 20 50.849 4.255 1.223 1.00 1.00 O ATOM 0 H GLU A 20 49.254 2.838 -1.413 1.00 1.00 H new ATOM 0 HA GLU A 20 48.540 4.954 -1.367 1.00 1.00 H new ATOM 0 HB2 GLU A 20 51.018 5.742 -2.955 1.00 1.00 H new ATOM 0 HB3 GLU A 20 50.125 6.722 -1.809 1.00 1.00 H new ATOM 0 HG2 GLU A 20 51.726 4.198 -1.150 1.00 1.00 H new ATOM 0 HG3 GLU A 20 52.187 5.841 -0.751 1.00 1.00 H new ATOM 276 N TYR A 21 48.261 4.082 -4.299 1.00 1.00 N ATOM 277 CA TYR A 21 47.586 4.271 -5.578 1.00 1.00 C ATOM 278 C TYR A 21 46.113 3.889 -5.467 1.00 1.00 C ATOM 279 O TYR A 21 45.556 3.261 -6.366 1.00 1.00 O ATOM 280 CB TYR A 21 48.256 3.416 -6.655 1.00 1.00 C ATOM 281 CG TYR A 21 49.654 3.929 -6.907 1.00 1.00 C ATOM 282 CD1 TYR A 21 49.842 5.188 -7.489 1.00 1.00 C ATOM 283 CD2 TYR A 21 50.763 3.145 -6.560 1.00 1.00 C ATOM 284 CE1 TYR A 21 51.137 5.665 -7.723 1.00 1.00 C ATOM 285 CE2 TYR A 21 52.058 3.622 -6.795 1.00 1.00 C ATOM 286 CZ TYR A 21 52.245 4.882 -7.376 1.00 1.00 C ATOM 287 OH TYR A 21 53.522 5.352 -7.607 1.00 1.00 O ATOM 0 H TYR A 21 48.503 3.115 -4.084 1.00 1.00 H new ATOM 0 HA TYR A 21 47.658 5.323 -5.853 1.00 1.00 H new ATOM 0 HB2 TYR A 21 48.291 2.374 -6.338 1.00 1.00 H new ATOM 0 HB3 TYR A 21 47.673 3.449 -7.576 1.00 1.00 H new ATOM 0 HD1 TYR A 21 48.988 5.792 -7.758 1.00 1.00 H new ATOM 0 HD2 TYR A 21 50.618 2.173 -6.111 1.00 1.00 H new ATOM 0 HE1 TYR A 21 51.282 6.637 -8.171 1.00 1.00 H new ATOM 0 HE2 TYR A 21 52.913 3.018 -6.528 1.00 1.00 H new ATOM 0 HH TYR A 21 54.175 4.686 -7.307 1.00 1.00 H new ATOM 297 N THR A 22 45.489 4.274 -4.358 1.00 1.00 N ATOM 298 CA THR A 22 44.080 3.966 -4.139 1.00 1.00 C ATOM 299 C THR A 22 43.642 4.418 -2.751 1.00 1.00 C ATOM 300 O THR A 22 42.549 4.956 -2.578 1.00 1.00 O ATOM 301 CB THR A 22 43.844 2.461 -4.286 1.00 1.00 C ATOM 302 OG1 THR A 22 42.678 2.094 -3.561 1.00 1.00 O ATOM 303 CG2 THR A 22 45.048 1.691 -3.740 1.00 1.00 C ATOM 0 H THR A 22 45.933 4.796 -3.602 1.00 1.00 H new ATOM 0 HA THR A 22 43.491 4.500 -4.885 1.00 1.00 H new ATOM 0 HB THR A 22 43.712 2.218 -5.340 1.00 1.00 H new ATOM 0 HG1 THR A 22 42.524 1.131 -3.655 1.00 1.00 H new ATOM 0 HG21 THR A 22 44.874 0.620 -3.847 1.00 1.00 H new ATOM 0 HG22 THR A 22 45.942 1.971 -4.297 1.00 1.00 H new ATOM 0 HG23 THR A 22 45.187 1.932 -2.686 1.00 1.00 H new ATOM 311 N ASP A 23 44.505 4.194 -1.766 1.00 1.00 N ATOM 312 CA ASP A 23 44.200 4.581 -0.393 1.00 1.00 C ATOM 313 C ASP A 23 43.739 6.033 -0.332 1.00 1.00 C ATOM 314 O ASP A 23 43.231 6.490 0.692 1.00 1.00 O ATOM 315 CB ASP A 23 45.438 4.399 0.487 1.00 1.00 C ATOM 316 CG ASP A 23 45.252 3.199 1.409 1.00 1.00 C ATOM 317 OD1 ASP A 23 44.249 3.158 2.101 1.00 1.00 O ATOM 318 OD2 ASP A 23 46.117 2.339 1.410 1.00 1.00 O ATOM 0 H ASP A 23 45.415 3.750 -1.891 1.00 1.00 H new ATOM 0 HA ASP A 23 43.396 3.943 -0.027 1.00 1.00 H new ATOM 0 HB2 ASP A 23 46.320 4.255 -0.137 1.00 1.00 H new ATOM 0 HB3 ASP A 23 45.609 5.299 1.078 1.00 1.00 H new ATOM 323 N TRP A 24 43.920 6.756 -1.434 1.00 1.00 N ATOM 324 CA TRP A 24 43.518 8.156 -1.488 1.00 1.00 C ATOM 325 C TRP A 24 43.137 8.554 -2.910 1.00 1.00 C ATOM 326 O TRP A 24 42.086 9.156 -3.136 1.00 1.00 O ATOM 327 CB TRP A 24 44.659 9.048 -0.994 1.00 1.00 C ATOM 328 CG TRP A 24 45.730 9.113 -2.036 1.00 1.00 C ATOM 329 CD1 TRP A 24 46.599 8.116 -2.321 1.00 1.00 C ATOM 330 CD2 TRP A 24 46.060 10.212 -2.934 1.00 1.00 C ATOM 331 NE1 TRP A 24 47.441 8.533 -3.335 1.00 1.00 N ATOM 332 CE2 TRP A 24 47.148 9.818 -3.747 1.00 1.00 C ATOM 333 CE3 TRP A 24 45.525 11.500 -3.120 1.00 1.00 C ATOM 334 CZ2 TRP A 24 47.688 10.671 -4.710 1.00 1.00 C ATOM 335 CZ3 TRP A 24 46.066 12.361 -4.088 1.00 1.00 C ATOM 336 CH2 TRP A 24 47.145 11.947 -4.882 1.00 1.00 C ATOM 0 H TRP A 24 44.338 6.399 -2.293 1.00 1.00 H new ATOM 0 HA TRP A 24 42.649 8.287 -0.843 1.00 1.00 H new ATOM 0 HB2 TRP A 24 44.285 10.049 -0.779 1.00 1.00 H new ATOM 0 HB3 TRP A 24 45.066 8.653 -0.063 1.00 1.00 H new ATOM 0 HD1 TRP A 24 46.630 7.152 -1.836 1.00 1.00 H new ATOM 0 HE1 TRP A 24 48.187 7.961 -3.731 1.00 1.00 H new ATOM 0 HE3 TRP A 24 44.693 11.828 -2.514 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 48.520 10.347 -5.318 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 45.649 13.348 -4.222 1.00 1.00 H new ATOM 0 HH2 TRP A 24 47.556 12.614 -5.626 1.00 1.00 H new ATOM 347 N LYS A 25 43.995 8.215 -3.868 1.00 1.00 N ATOM 348 CA LYS A 25 43.737 8.541 -5.264 1.00 1.00 C ATOM 349 C LYS A 25 43.162 9.948 -5.389 1.00 1.00 C ATOM 350 O LYS A 25 43.244 10.748 -4.457 1.00 1.00 O ATOM 351 CB LYS A 25 42.756 7.530 -5.862 1.00 1.00 C ATOM 352 CG LYS A 25 43.309 6.993 -7.184 1.00 1.00 C ATOM 353 CD LYS A 25 44.477 6.045 -6.906 1.00 1.00 C ATOM 354 CE LYS A 25 45.640 6.379 -7.842 1.00 1.00 C ATOM 355 NZ LYS A 25 46.275 7.656 -7.410 1.00 1.00 N ATOM 0 H LYS A 25 44.870 7.717 -3.703 1.00 1.00 H new ATOM 0 HA LYS A 25 44.680 8.498 -5.809 1.00 1.00 H new ATOM 0 HB2 LYS A 25 42.595 6.709 -5.164 1.00 1.00 H new ATOM 0 HB3 LYS A 25 41.788 8.002 -6.027 1.00 1.00 H new ATOM 0 HG2 LYS A 25 42.525 6.469 -7.731 1.00 1.00 H new ATOM 0 HG3 LYS A 25 43.640 7.819 -7.813 1.00 1.00 H new ATOM 0 HD2 LYS A 25 44.794 6.137 -5.867 1.00 1.00 H new ATOM 0 HD3 LYS A 25 44.163 5.012 -7.053 1.00 1.00 H new ATOM 0 HE2 LYS A 25 46.374 5.573 -7.829 1.00 1.00 H new ATOM 0 HE3 LYS A 25 45.281 6.468 -8.868 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 47.179 7.781 -7.909 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 45.643 8.451 -7.634 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 46.447 7.629 -6.385 1.00 1.00 H new ATOM 369 N SER A 26 42.579 10.244 -6.546 1.00 1.00 N ATOM 370 CA SER A 26 41.994 11.558 -6.783 1.00 1.00 C ATOM 371 C SER A 26 41.109 11.536 -8.025 1.00 1.00 C ATOM 372 O SER A 26 41.579 11.258 -9.129 1.00 1.00 O ATOM 373 CB SER A 26 43.100 12.598 -6.960 1.00 1.00 C ATOM 374 OG SER A 26 44.056 12.449 -5.919 1.00 1.00 O ATOM 0 H SER A 26 42.499 9.596 -7.330 1.00 1.00 H new ATOM 0 HA SER A 26 41.382 11.822 -5.921 1.00 1.00 H new ATOM 0 HB2 SER A 26 43.580 12.474 -7.931 1.00 1.00 H new ATOM 0 HB3 SER A 26 42.677 13.602 -6.940 1.00 1.00 H new ATOM 0 HG SER A 26 43.598 12.211 -5.086 1.00 1.00 H new ATOM 380 N SER A 27 39.827 11.832 -7.838 1.00 1.00 N ATOM 381 CA SER A 27 38.886 11.843 -8.952 1.00 1.00 C ATOM 382 C SER A 27 39.079 13.092 -9.804 1.00 1.00 C ATOM 383 O SER A 27 38.350 13.314 -10.771 1.00 1.00 O ATOM 384 CB SER A 27 37.452 11.801 -8.423 1.00 1.00 C ATOM 385 OG SER A 27 36.552 11.679 -9.517 1.00 1.00 O ATOM 0 H SER A 27 39.418 12.066 -6.933 1.00 1.00 H new ATOM 0 HA SER A 27 39.072 10.964 -9.569 1.00 1.00 H new ATOM 0 HB2 SER A 27 37.328 10.961 -7.740 1.00 1.00 H new ATOM 0 HB3 SER A 27 37.234 12.707 -7.857 1.00 1.00 H new ATOM 0 HG SER A 27 36.954 12.077 -10.317 1.00 1.00 H new ATOM 391 N GLY A 28 40.065 13.905 -9.439 1.00 1.00 N ATOM 392 CA GLY A 28 40.346 15.131 -10.178 1.00 1.00 C ATOM 393 C GLY A 28 40.640 16.285 -9.227 1.00 1.00 C ATOM 394 O GLY A 28 40.236 17.422 -9.471 1.00 1.00 O ATOM 0 H GLY A 28 40.679 13.739 -8.642 1.00 1.00 H new ATOM 0 HA2 GLY A 28 41.198 14.974 -10.840 1.00 1.00 H new ATOM 0 HA3 GLY A 28 39.494 15.383 -10.809 1.00 1.00 H new ATOM 398 N ALA A 29 41.346 15.986 -8.142 1.00 1.00 N ATOM 399 CA ALA A 29 41.690 17.008 -7.160 1.00 1.00 C ATOM 400 C ALA A 29 40.483 17.342 -6.290 1.00 1.00 C ATOM 401 O ALA A 29 40.465 18.362 -5.601 1.00 1.00 O ATOM 402 CB ALA A 29 42.173 18.273 -7.871 1.00 1.00 C ATOM 0 H ALA A 29 41.689 15.051 -7.921 1.00 1.00 H new ATOM 0 HA ALA A 29 42.487 16.621 -6.524 1.00 1.00 H new ATOM 0 HB1 ALA A 29 42.428 19.032 -7.131 1.00 1.00 H new ATOM 0 HB2 ALA A 29 43.053 18.040 -8.470 1.00 1.00 H new ATOM 0 HB3 ALA A 29 41.382 18.650 -8.520 1.00 1.00 H new ATOM 408 N LEU A 30 39.476 16.475 -6.326 1.00 1.00 N ATOM 409 CA LEU A 30 38.269 16.687 -5.534 1.00 1.00 C ATOM 410 C LEU A 30 38.284 15.809 -4.288 1.00 1.00 C ATOM 411 O LEU A 30 37.337 15.816 -3.501 1.00 1.00 O ATOM 412 CB LEU A 30 37.032 16.364 -6.374 1.00 1.00 C ATOM 413 CG LEU A 30 36.460 17.655 -6.959 1.00 1.00 C ATOM 414 CD1 LEU A 30 37.538 18.366 -7.780 1.00 1.00 C ATOM 415 CD2 LEU A 30 35.271 17.322 -7.864 1.00 1.00 C ATOM 0 H LEU A 30 39.471 15.625 -6.890 1.00 1.00 H new ATOM 0 HA LEU A 30 38.237 17.732 -5.226 1.00 1.00 H new ATOM 0 HB2 LEU A 30 37.294 15.674 -7.176 1.00 1.00 H new ATOM 0 HB3 LEU A 30 36.282 15.867 -5.759 1.00 1.00 H new ATOM 0 HG LEU A 30 36.131 18.305 -6.148 1.00 1.00 H new ATOM 0 HD11 LEU A 30 37.130 19.287 -8.197 1.00 1.00 H new ATOM 0 HD12 LEU A 30 38.387 18.603 -7.138 1.00 1.00 H new ATOM 0 HD13 LEU A 30 37.867 17.715 -8.590 1.00 1.00 H new ATOM 0 HD21 LEU A 30 34.863 18.242 -8.282 1.00 1.00 H new ATOM 0 HD22 LEU A 30 35.601 16.671 -8.674 1.00 1.00 H new ATOM 0 HD23 LEU A 30 34.502 16.815 -7.282 1.00 1.00 H new ATOM 427 N ILE A 31 39.363 15.054 -4.115 1.00 1.00 N ATOM 428 CA ILE A 31 39.489 14.174 -2.960 1.00 1.00 C ATOM 429 C ILE A 31 39.799 14.974 -1.691 1.00 1.00 C ATOM 430 O ILE A 31 39.265 14.674 -0.623 1.00 1.00 O ATOM 431 CB ILE A 31 40.575 13.112 -3.230 1.00 1.00 C ATOM 432 CG1 ILE A 31 39.896 11.779 -3.551 1.00 1.00 C ATOM 433 CG2 ILE A 31 41.488 12.925 -2.010 1.00 1.00 C ATOM 434 CD1 ILE A 31 38.964 11.956 -4.751 1.00 1.00 C ATOM 0 H ILE A 31 40.157 15.033 -4.755 1.00 1.00 H new ATOM 0 HA ILE A 31 38.538 13.666 -2.799 1.00 1.00 H new ATOM 0 HB ILE A 31 41.185 13.448 -4.068 1.00 1.00 H new ATOM 0 HG12 ILE A 31 40.647 11.020 -3.769 1.00 1.00 H new ATOM 0 HG13 ILE A 31 39.331 11.429 -2.687 1.00 1.00 H new ATOM 0 HG21 ILE A 31 42.242 12.170 -2.232 1.00 1.00 H new ATOM 0 HG22 ILE A 31 41.978 13.870 -1.774 1.00 1.00 H new ATOM 0 HG23 ILE A 31 40.893 12.602 -1.156 1.00 1.00 H new ATOM 0 HD11 ILE A 31 38.480 11.006 -4.979 1.00 1.00 H new ATOM 0 HD12 ILE A 31 38.205 12.702 -4.515 1.00 1.00 H new ATOM 0 HD13 ILE A 31 39.541 12.286 -5.615 1.00 1.00 H new ATOM 446 N PRO A 32 40.642 15.977 -1.775 1.00 1.00 N ATOM 447 CA PRO A 32 41.005 16.813 -0.591 1.00 1.00 C ATOM 448 C PRO A 32 39.781 17.463 0.048 1.00 1.00 C ATOM 449 O PRO A 32 39.718 17.625 1.267 1.00 1.00 O ATOM 450 CB PRO A 32 41.953 17.877 -1.157 1.00 1.00 C ATOM 451 CG PRO A 32 42.444 17.331 -2.455 1.00 1.00 C ATOM 452 CD PRO A 32 41.338 16.427 -2.990 1.00 1.00 C ATOM 0 HA PRO A 32 41.459 16.216 0.200 1.00 1.00 H new ATOM 0 HB2 PRO A 32 41.435 18.825 -1.302 1.00 1.00 H new ATOM 0 HB3 PRO A 32 42.781 18.067 -0.474 1.00 1.00 H new ATOM 0 HG2 PRO A 32 42.661 18.136 -3.157 1.00 1.00 H new ATOM 0 HG3 PRO A 32 43.369 16.772 -2.316 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.668 16.966 -3.660 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.744 15.587 -3.554 1.00 1.00 H new ATOM 460 N ALA A 33 38.811 17.832 -0.783 1.00 1.00 N ATOM 461 CA ALA A 33 37.594 18.463 -0.288 1.00 1.00 C ATOM 462 C ALA A 33 36.688 17.432 0.377 1.00 1.00 C ATOM 463 O ALA A 33 36.427 17.502 1.578 1.00 1.00 O ATOM 464 CB ALA A 33 36.846 19.133 -1.442 1.00 1.00 C ATOM 0 H ALA A 33 38.844 17.706 -1.795 1.00 1.00 H new ATOM 0 HA ALA A 33 37.872 19.215 0.450 1.00 1.00 H new ATOM 0 HB1 ALA A 33 35.938 19.602 -1.063 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.483 19.891 -1.897 1.00 1.00 H new ATOM 0 HB3 ALA A 33 36.583 18.384 -2.189 1.00 1.00 H new ATOM 470 N ILE A 34 36.209 16.475 -0.413 1.00 1.00 N ATOM 471 CA ILE A 34 35.333 15.433 0.110 1.00 1.00 C ATOM 472 C ILE A 34 35.944 14.790 1.351 1.00 1.00 C ATOM 473 O ILE A 34 35.228 14.372 2.261 1.00 1.00 O ATOM 474 CB ILE A 34 35.099 14.364 -0.958 1.00 1.00 C ATOM 475 CG1 ILE A 34 34.046 14.860 -1.952 1.00 1.00 C ATOM 476 CG2 ILE A 34 34.606 13.077 -0.294 1.00 1.00 C ATOM 477 CD1 ILE A 34 34.360 14.312 -3.345 1.00 1.00 C ATOM 0 H ILE A 34 36.411 16.400 -1.410 1.00 1.00 H new ATOM 0 HA ILE A 34 34.381 15.889 0.383 1.00 1.00 H new ATOM 0 HB ILE A 34 36.033 14.166 -1.484 1.00 1.00 H new ATOM 0 HG12 ILE A 34 33.054 14.537 -1.638 1.00 1.00 H new ATOM 0 HG13 ILE A 34 34.035 15.950 -1.972 1.00 1.00 H new ATOM 0 HG21 ILE A 34 34.439 12.315 -1.056 1.00 1.00 H new ATOM 0 HG22 ILE A 34 35.355 12.723 0.415 1.00 1.00 H new ATOM 0 HG23 ILE A 34 33.672 13.274 0.233 1.00 1.00 H new ATOM 0 HD11 ILE A 34 33.610 14.665 -4.053 1.00 1.00 H new ATOM 0 HD12 ILE A 34 35.345 14.657 -3.658 1.00 1.00 H new ATOM 0 HD13 ILE A 34 34.349 13.222 -3.318 1.00 1.00 H new ATOM 489 N TYR A 35 37.271 14.714 1.380 1.00 1.00 N ATOM 490 CA TYR A 35 37.967 14.118 2.515 1.00 1.00 C ATOM 491 C TYR A 35 38.013 15.093 3.688 1.00 1.00 C ATOM 492 O TYR A 35 38.102 14.682 4.844 1.00 1.00 O ATOM 493 CB TYR A 35 39.391 13.734 2.111 1.00 1.00 C ATOM 494 CG TYR A 35 40.161 13.299 3.335 1.00 1.00 C ATOM 495 CD1 TYR A 35 40.748 14.258 4.170 1.00 1.00 C ATOM 496 CD2 TYR A 35 40.291 11.937 3.633 1.00 1.00 C ATOM 497 CE1 TYR A 35 41.463 13.854 5.305 1.00 1.00 C ATOM 498 CE2 TYR A 35 41.005 11.534 4.767 1.00 1.00 C ATOM 499 CZ TYR A 35 41.590 12.493 5.603 1.00 1.00 C ATOM 500 OH TYR A 35 42.295 12.094 6.721 1.00 1.00 O ATOM 0 H TYR A 35 37.882 15.055 0.637 1.00 1.00 H new ATOM 0 HA TYR A 35 37.424 13.224 2.822 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.368 12.928 1.377 1.00 1.00 H new ATOM 0 HB3 TYR A 35 39.887 14.581 1.638 1.00 1.00 H new ATOM 0 HD1 TYR A 35 40.650 15.308 3.939 1.00 1.00 H new ATOM 0 HD2 TYR A 35 39.840 11.198 2.988 1.00 1.00 H new ATOM 0 HE1 TYR A 35 41.916 14.593 5.950 1.00 1.00 H new ATOM 0 HE2 TYR A 35 41.105 10.484 4.997 1.00 1.00 H new ATOM 0 HH TYR A 35 42.286 11.116 6.782 1.00 1.00 H new ATOM 510 N MET A 36 37.953 16.385 3.381 1.00 1.00 N ATOM 511 CA MET A 36 37.990 17.409 4.417 1.00 1.00 C ATOM 512 C MET A 36 36.668 17.448 5.179 1.00 1.00 C ATOM 513 O MET A 36 36.643 17.706 6.383 1.00 1.00 O ATOM 514 CB MET A 36 38.261 18.778 3.791 1.00 1.00 C ATOM 515 CG MET A 36 38.239 19.851 4.880 1.00 1.00 C ATOM 516 SD MET A 36 39.656 20.958 4.664 1.00 1.00 S ATOM 517 CE MET A 36 40.937 19.791 5.182 1.00 1.00 C ATOM 0 H MET A 36 37.879 16.745 2.430 1.00 1.00 H new ATOM 0 HA MET A 36 38.792 17.165 5.114 1.00 1.00 H new ATOM 0 HB2 MET A 36 39.228 18.775 3.289 1.00 1.00 H new ATOM 0 HB3 MET A 36 37.509 18.998 3.033 1.00 1.00 H new ATOM 0 HG2 MET A 36 37.310 20.418 4.828 1.00 1.00 H new ATOM 0 HG3 MET A 36 38.274 19.386 5.865 1.00 1.00 H new ATOM 0 HE1 MET A 36 41.568 20.256 5.940 1.00 1.00 H new ATOM 0 HE2 MET A 36 40.469 18.898 5.597 1.00 1.00 H new ATOM 0 HE3 MET A 36 41.547 19.515 4.322 1.00 1.00 H new ATOM 527 N LEU A 37 35.574 17.192 4.470 1.00 1.00 N ATOM 528 CA LEU A 37 34.254 17.202 5.091 1.00 1.00 C ATOM 529 C LEU A 37 34.048 15.946 5.930 1.00 1.00 C ATOM 530 O LEU A 37 32.915 15.528 6.171 1.00 1.00 O ATOM 531 CB LEU A 37 33.170 17.283 4.014 1.00 1.00 C ATOM 532 CG LEU A 37 33.481 18.439 3.061 1.00 1.00 C ATOM 533 CD1 LEU A 37 32.396 18.519 1.986 1.00 1.00 C ATOM 534 CD2 LEU A 37 33.517 19.752 3.846 1.00 1.00 C ATOM 0 H LEU A 37 35.574 16.977 3.473 1.00 1.00 H new ATOM 0 HA LEU A 37 34.185 18.075 5.741 1.00 1.00 H new ATOM 0 HB2 LEU A 37 33.121 16.345 3.461 1.00 1.00 H new ATOM 0 HB3 LEU A 37 32.194 17.431 4.476 1.00 1.00 H new ATOM 0 HG LEU A 37 34.449 18.270 2.590 1.00 1.00 H new ATOM 0 HD11 LEU A 37 32.617 19.342 1.307 1.00 1.00 H new ATOM 0 HD12 LEU A 37 32.369 17.584 1.426 1.00 1.00 H new ATOM 0 HD13 LEU A 37 31.428 18.688 2.458 1.00 1.00 H new ATOM 0 HD21 LEU A 37 33.739 20.576 3.167 1.00 1.00 H new ATOM 0 HD22 LEU A 37 32.549 19.921 4.318 1.00 1.00 H new ATOM 0 HD23 LEU A 37 34.289 19.696 4.613 1.00 1.00 H new ATOM 546 N VAL A 38 35.148 15.349 6.376 1.00 1.00 N ATOM 547 CA VAL A 38 35.074 14.143 7.191 1.00 1.00 C ATOM 548 C VAL A 38 36.167 14.152 8.253 1.00 1.00 C ATOM 549 O VAL A 38 36.536 13.106 8.788 1.00 1.00 O ATOM 550 CB VAL A 38 35.227 12.902 6.308 1.00 1.00 C ATOM 551 CG1 VAL A 38 35.092 11.637 7.161 1.00 1.00 C ATOM 552 CG2 VAL A 38 34.141 12.907 5.230 1.00 1.00 C ATOM 0 H VAL A 38 36.095 15.678 6.188 1.00 1.00 H new ATOM 0 HA VAL A 38 34.102 14.118 7.683 1.00 1.00 H new ATOM 0 HB VAL A 38 36.210 12.915 5.838 1.00 1.00 H new ATOM 0 HG11 VAL A 38 35.202 10.757 6.527 1.00 1.00 H new ATOM 0 HG12 VAL A 38 35.867 11.631 7.928 1.00 1.00 H new ATOM 0 HG13 VAL A 38 34.111 11.622 7.636 1.00 1.00 H new ATOM 0 HG21 VAL A 38 34.249 12.024 4.601 1.00 1.00 H new ATOM 0 HG22 VAL A 38 33.159 12.898 5.703 1.00 1.00 H new ATOM 0 HG23 VAL A 38 34.240 13.803 4.618 1.00 1.00 H new ATOM 562 N PHE A 39 36.676 15.343 8.554 1.00 1.00 N ATOM 563 CA PHE A 39 37.725 15.489 9.556 1.00 1.00 C ATOM 564 C PHE A 39 37.168 16.154 10.808 1.00 1.00 C ATOM 565 O PHE A 39 37.494 15.763 11.930 1.00 1.00 O ATOM 566 CB PHE A 39 38.871 16.335 8.994 1.00 1.00 C ATOM 567 CG PHE A 39 39.841 16.669 10.102 1.00 1.00 C ATOM 568 CD1 PHE A 39 40.749 15.703 10.553 1.00 1.00 C ATOM 569 CD2 PHE A 39 39.833 17.945 10.678 1.00 1.00 C ATOM 570 CE1 PHE A 39 41.649 16.014 11.580 1.00 1.00 C ATOM 571 CE2 PHE A 39 40.732 18.255 11.704 1.00 1.00 C ATOM 572 CZ PHE A 39 41.640 17.290 12.155 1.00 1.00 C ATOM 0 H PHE A 39 36.380 16.217 8.120 1.00 1.00 H new ATOM 0 HA PHE A 39 38.100 14.499 9.815 1.00 1.00 H new ATOM 0 HB2 PHE A 39 39.383 15.791 8.200 1.00 1.00 H new ATOM 0 HB3 PHE A 39 38.478 17.251 8.552 1.00 1.00 H new ATOM 0 HD1 PHE A 39 40.755 14.719 10.109 1.00 1.00 H new ATOM 0 HD2 PHE A 39 39.133 18.690 10.330 1.00 1.00 H new ATOM 0 HE1 PHE A 39 42.350 15.270 11.928 1.00 1.00 H new ATOM 0 HE2 PHE A 39 40.725 19.239 12.148 1.00 1.00 H new ATOM 0 HZ PHE A 39 42.334 17.530 12.947 1.00 1.00 H new ATOM 582 N LEU A 40 36.320 17.156 10.608 1.00 1.00 N ATOM 583 CA LEU A 40 35.715 17.867 11.724 1.00 1.00 C ATOM 584 C LEU A 40 34.598 17.033 12.340 1.00 1.00 C ATOM 585 O LEU A 40 33.984 17.433 13.329 1.00 1.00 O ATOM 586 CB LEU A 40 35.153 19.210 11.250 1.00 1.00 C ATOM 587 CG LEU A 40 34.120 18.977 10.144 1.00 1.00 C ATOM 588 CD1 LEU A 40 32.712 19.151 10.715 1.00 1.00 C ATOM 589 CD2 LEU A 40 34.342 19.992 9.020 1.00 1.00 C ATOM 0 H LEU A 40 36.038 17.492 9.687 1.00 1.00 H new ATOM 0 HA LEU A 40 36.482 18.045 12.478 1.00 1.00 H new ATOM 0 HB2 LEU A 40 34.693 19.737 12.085 1.00 1.00 H new ATOM 0 HB3 LEU A 40 35.960 19.842 10.880 1.00 1.00 H new ATOM 0 HG LEU A 40 34.230 17.966 9.751 1.00 1.00 H new ATOM 0 HD11 LEU A 40 31.977 18.985 9.927 1.00 1.00 H new ATOM 0 HD12 LEU A 40 32.553 18.430 11.517 1.00 1.00 H new ATOM 0 HD13 LEU A 40 32.601 20.162 11.108 1.00 1.00 H new ATOM 0 HD21 LEU A 40 33.608 19.828 8.231 1.00 1.00 H new ATOM 0 HD22 LEU A 40 34.231 21.002 9.415 1.00 1.00 H new ATOM 0 HD23 LEU A 40 35.346 19.870 8.612 1.00 1.00 H new ATOM 601 N LEU A 41 34.341 15.870 11.745 1.00 1.00 N ATOM 602 CA LEU A 41 33.295 14.978 12.237 1.00 1.00 C ATOM 603 C LEU A 41 33.835 13.561 12.423 1.00 1.00 C ATOM 604 O LEU A 41 33.289 12.776 13.200 1.00 1.00 O ATOM 605 CB LEU A 41 32.111 14.973 11.259 1.00 1.00 C ATOM 606 CG LEU A 41 32.431 14.117 10.027 1.00 1.00 C ATOM 607 CD1 LEU A 41 31.804 12.726 10.177 1.00 1.00 C ATOM 608 CD2 LEU A 41 31.850 14.795 8.784 1.00 1.00 C ATOM 0 H LEU A 41 34.840 15.525 10.925 1.00 1.00 H new ATOM 0 HA LEU A 41 32.955 15.342 13.207 1.00 1.00 H new ATOM 0 HB2 LEU A 41 31.223 14.585 11.757 1.00 1.00 H new ATOM 0 HB3 LEU A 41 31.883 15.993 10.950 1.00 1.00 H new ATOM 0 HG LEU A 41 33.512 14.015 9.931 1.00 1.00 H new ATOM 0 HD11 LEU A 41 32.036 12.125 9.298 1.00 1.00 H new ATOM 0 HD12 LEU A 41 32.206 12.239 11.066 1.00 1.00 H new ATOM 0 HD13 LEU A 41 30.723 12.823 10.275 1.00 1.00 H new ATOM 0 HD21 LEU A 41 32.073 14.193 7.903 1.00 1.00 H new ATOM 0 HD22 LEU A 41 30.770 14.891 8.894 1.00 1.00 H new ATOM 0 HD23 LEU A 41 32.293 15.784 8.669 1.00 1.00 H new ATOM 620 N GLY A 42 34.906 13.240 11.704 1.00 1.00 N ATOM 621 CA GLY A 42 35.508 11.915 11.794 1.00 1.00 C ATOM 622 C GLY A 42 36.073 11.665 13.187 1.00 1.00 C ATOM 623 O GLY A 42 36.185 10.520 13.626 1.00 1.00 O ATOM 0 H GLY A 42 35.372 13.875 11.056 1.00 1.00 H new ATOM 0 HA2 GLY A 42 34.762 11.156 11.559 1.00 1.00 H new ATOM 0 HA3 GLY A 42 36.302 11.822 11.053 1.00 1.00 H new ATOM 627 N THR A 43 36.429 12.742 13.880 1.00 1.00 N ATOM 628 CA THR A 43 36.982 12.626 15.224 1.00 1.00 C ATOM 629 C THR A 43 36.435 13.727 16.124 1.00 1.00 C ATOM 630 O THR A 43 35.768 13.452 17.122 1.00 1.00 O ATOM 631 CB THR A 43 38.509 12.717 15.170 1.00 1.00 C ATOM 632 OG1 THR A 43 38.892 13.581 14.109 1.00 1.00 O ATOM 633 CG2 THR A 43 39.097 11.325 14.937 1.00 1.00 C ATOM 0 H THR A 43 36.345 13.699 13.536 1.00 1.00 H new ATOM 0 HA THR A 43 36.691 11.659 15.635 1.00 1.00 H new ATOM 0 HB THR A 43 38.884 13.112 16.114 1.00 1.00 H new ATOM 0 HG1 THR A 43 39.869 13.642 14.074 1.00 1.00 H new ATOM 0 HG21 THR A 43 40.184 11.391 14.899 1.00 1.00 H new ATOM 0 HG22 THR A 43 38.802 10.664 15.752 1.00 1.00 H new ATOM 0 HG23 THR A 43 38.724 10.926 13.994 1.00 1.00 H new ATOM 641 N THR A 44 36.722 14.974 15.766 1.00 1.00 N ATOM 642 CA THR A 44 36.251 16.110 16.549 1.00 1.00 C ATOM 643 C THR A 44 34.762 15.969 16.850 1.00 1.00 C ATOM 644 O THR A 44 34.271 16.479 17.857 1.00 1.00 O ATOM 645 CB THR A 44 36.500 17.411 15.784 1.00 1.00 C ATOM 646 OG1 THR A 44 37.857 17.801 15.946 1.00 1.00 O ATOM 647 CG2 THR A 44 35.584 18.508 16.327 1.00 1.00 C ATOM 0 H THR A 44 37.274 15.223 14.945 1.00 1.00 H new ATOM 0 HA THR A 44 36.800 16.134 17.490 1.00 1.00 H new ATOM 0 HB THR A 44 36.289 17.257 14.726 1.00 1.00 H new ATOM 0 HG1 THR A 44 38.019 18.634 15.455 1.00 1.00 H new ATOM 0 HG21 THR A 44 35.763 19.434 15.781 1.00 1.00 H new ATOM 0 HG22 THR A 44 34.544 18.208 16.202 1.00 1.00 H new ATOM 0 HG23 THR A 44 35.792 18.665 17.385 1.00 1.00 H new ATOM 655 N GLY A 45 34.050 15.274 15.970 1.00 1.00 N ATOM 656 CA GLY A 45 32.617 15.071 16.151 1.00 1.00 C ATOM 657 C GLY A 45 32.340 14.220 17.385 1.00 1.00 C ATOM 658 O GLY A 45 31.296 14.357 18.024 1.00 1.00 O ATOM 0 H GLY A 45 34.438 14.844 15.130 1.00 1.00 H new ATOM 0 HA2 GLY A 45 32.119 16.035 16.250 1.00 1.00 H new ATOM 0 HA3 GLY A 45 32.200 14.586 15.269 1.00 1.00 H new ATOM 662 N ASN A 46 33.279 13.341 17.716 1.00 1.00 N ATOM 663 CA ASN A 46 33.124 12.472 18.877 1.00 1.00 C ATOM 664 C ASN A 46 31.699 11.935 18.956 1.00 1.00 C ATOM 665 O ASN A 46 30.831 12.541 19.587 1.00 1.00 O ATOM 666 CB ASN A 46 33.456 13.243 20.156 1.00 1.00 C ATOM 667 CG ASN A 46 33.801 12.270 21.276 1.00 1.00 C ATOM 668 OD1 ASN A 46 32.942 11.512 21.729 1.00 1.00 O ATOM 669 ND2 ASN A 46 35.016 12.240 21.752 1.00 1.00 N ATOM 0 H ASN A 46 34.150 13.211 17.201 1.00 1.00 H new ATOM 0 HA ASN A 46 33.811 11.632 18.774 1.00 1.00 H new ATOM 0 HB2 ASN A 46 34.294 13.917 19.977 1.00 1.00 H new ATOM 0 HB3 ASN A 46 32.607 13.861 20.449 1.00 1.00 H new ATOM 0 HD21 ASN A 46 35.255 11.589 22.500 1.00 1.00 H new ATOM 0 HD22 ASN A 46 35.727 12.868 21.376 1.00 1.00 H new ATOM 676 N GLY A 47 31.464 10.796 18.313 1.00 1.00 N ATOM 677 CA GLY A 47 30.139 10.187 18.317 1.00 1.00 C ATOM 678 C GLY A 47 29.771 9.678 16.928 1.00 1.00 C ATOM 679 O GLY A 47 29.042 8.695 16.789 1.00 1.00 O ATOM 0 H GLY A 47 32.168 10.279 17.786 1.00 1.00 H new ATOM 0 HA2 GLY A 47 30.115 9.362 19.029 1.00 1.00 H new ATOM 0 HA3 GLY A 47 29.400 10.916 18.649 1.00 1.00 H new ATOM 683 N LEU A 48 30.278 10.354 15.904 1.00 1.00 N ATOM 684 CA LEU A 48 29.997 9.964 14.528 1.00 1.00 C ATOM 685 C LEU A 48 30.587 8.589 14.231 1.00 1.00 C ATOM 686 O LEU A 48 29.865 7.655 13.880 1.00 1.00 O ATOM 687 CB LEU A 48 30.591 10.995 13.562 1.00 1.00 C ATOM 688 CG LEU A 48 29.495 11.949 13.069 1.00 1.00 C ATOM 689 CD1 LEU A 48 28.517 11.200 12.158 1.00 1.00 C ATOM 690 CD2 LEU A 48 28.735 12.524 14.268 1.00 1.00 C ATOM 0 H LEU A 48 30.882 11.170 15.999 1.00 1.00 H new ATOM 0 HA LEU A 48 28.916 9.921 14.395 1.00 1.00 H new ATOM 0 HB2 LEU A 48 31.379 11.560 14.060 1.00 1.00 H new ATOM 0 HB3 LEU A 48 31.051 10.488 12.714 1.00 1.00 H new ATOM 0 HG LEU A 48 29.958 12.760 12.507 1.00 1.00 H new ATOM 0 HD11 LEU A 48 27.743 11.886 11.813 1.00 1.00 H new ATOM 0 HD12 LEU A 48 29.055 10.798 11.299 1.00 1.00 H new ATOM 0 HD13 LEU A 48 28.057 10.382 12.713 1.00 1.00 H new ATOM 0 HD21 LEU A 48 27.957 13.201 13.915 1.00 1.00 H new ATOM 0 HD22 LEU A 48 28.279 11.711 14.834 1.00 1.00 H new ATOM 0 HD23 LEU A 48 29.427 13.069 14.910 1.00 1.00 H new ATOM 702 N VAL A 49 31.904 8.473 14.374 1.00 1.00 N ATOM 703 CA VAL A 49 32.580 7.207 14.118 1.00 1.00 C ATOM 704 C VAL A 49 32.055 6.119 15.051 1.00 1.00 C ATOM 705 O VAL A 49 32.245 4.929 14.801 1.00 1.00 O ATOM 706 CB VAL A 49 34.088 7.370 14.320 1.00 1.00 C ATOM 707 CG1 VAL A 49 34.361 7.882 15.736 1.00 1.00 C ATOM 708 CG2 VAL A 49 34.778 6.018 14.126 1.00 1.00 C ATOM 0 H VAL A 49 32.519 9.233 14.663 1.00 1.00 H new ATOM 0 HA VAL A 49 32.381 6.913 13.088 1.00 1.00 H new ATOM 0 HB VAL A 49 34.476 8.084 13.594 1.00 1.00 H new ATOM 0 HG11 VAL A 49 35.435 7.998 15.880 1.00 1.00 H new ATOM 0 HG12 VAL A 49 33.870 8.845 15.876 1.00 1.00 H new ATOM 0 HG13 VAL A 49 33.973 7.168 16.462 1.00 1.00 H new ATOM 0 HG21 VAL A 49 35.852 6.134 14.270 1.00 1.00 H new ATOM 0 HG22 VAL A 49 34.390 5.304 14.852 1.00 1.00 H new ATOM 0 HG23 VAL A 49 34.584 5.652 13.118 1.00 1.00 H new ATOM 718 N LEU A 50 31.396 6.537 16.126 1.00 1.00 N ATOM 719 CA LEU A 50 30.847 5.590 17.089 1.00 1.00 C ATOM 720 C LEU A 50 29.370 5.334 16.809 1.00 1.00 C ATOM 721 O LEU A 50 28.741 4.499 17.458 1.00 1.00 O ATOM 722 CB LEU A 50 31.012 6.135 18.510 1.00 1.00 C ATOM 723 CG LEU A 50 32.487 6.449 18.768 1.00 1.00 C ATOM 724 CD1 LEU A 50 32.650 7.944 19.047 1.00 1.00 C ATOM 725 CD2 LEU A 50 32.972 5.649 19.980 1.00 1.00 C ATOM 0 H LEU A 50 31.230 7.518 16.352 1.00 1.00 H new ATOM 0 HA LEU A 50 31.390 4.650 16.995 1.00 1.00 H new ATOM 0 HB2 LEU A 50 30.410 7.035 18.638 1.00 1.00 H new ATOM 0 HB3 LEU A 50 30.652 5.405 19.235 1.00 1.00 H new ATOM 0 HG LEU A 50 33.075 6.177 17.892 1.00 1.00 H new ATOM 0 HD11 LEU A 50 33.701 8.167 19.231 1.00 1.00 H new ATOM 0 HD12 LEU A 50 32.303 8.515 18.186 1.00 1.00 H new ATOM 0 HD13 LEU A 50 32.062 8.217 19.924 1.00 1.00 H new ATOM 0 HD21 LEU A 50 34.023 5.871 20.166 1.00 1.00 H new ATOM 0 HD22 LEU A 50 32.383 5.922 20.856 1.00 1.00 H new ATOM 0 HD23 LEU A 50 32.856 4.583 19.783 1.00 1.00 H new ATOM 737 N TRP A 51 28.824 6.058 15.839 1.00 1.00 N ATOM 738 CA TRP A 51 27.418 5.901 15.480 1.00 1.00 C ATOM 739 C TRP A 51 27.263 4.880 14.357 1.00 1.00 C ATOM 740 O TRP A 51 26.531 3.900 14.493 1.00 1.00 O ATOM 741 CB TRP A 51 26.839 7.246 15.034 1.00 1.00 C ATOM 742 CG TRP A 51 25.884 7.025 13.905 1.00 1.00 C ATOM 743 CD1 TRP A 51 24.601 6.619 14.041 1.00 1.00 C ATOM 744 CD2 TRP A 51 26.112 7.192 12.475 1.00 1.00 C ATOM 745 NE1 TRP A 51 24.026 6.525 12.786 1.00 1.00 N ATOM 746 CE2 TRP A 51 24.918 6.868 11.789 1.00 1.00 C ATOM 747 CE3 TRP A 51 27.227 7.587 11.715 1.00 1.00 C ATOM 748 CZ2 TRP A 51 24.833 6.934 10.398 1.00 1.00 C ATOM 749 CZ3 TRP A 51 27.146 7.655 10.316 1.00 1.00 C ATOM 750 CH2 TRP A 51 25.950 7.329 9.657 1.00 1.00 C ATOM 0 H TRP A 51 29.328 6.755 15.290 1.00 1.00 H new ATOM 0 HA TRP A 51 26.876 5.546 16.356 1.00 1.00 H new ATOM 0 HB2 TRP A 51 26.329 7.729 15.867 1.00 1.00 H new ATOM 0 HB3 TRP A 51 27.641 7.914 14.721 1.00 1.00 H new ATOM 0 HD1 TRP A 51 24.106 6.403 14.976 1.00 1.00 H new ATOM 0 HE1 TRP A 51 23.062 6.238 12.618 1.00 1.00 H new ATOM 0 HE3 TRP A 51 28.152 7.840 12.212 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 23.910 6.681 9.897 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 28.009 7.960 9.743 1.00 1.00 H new ATOM 0 HH2 TRP A 51 25.893 7.383 8.580 1.00 1.00 H new ATOM 761 N THR A 52 27.956 5.118 13.249 1.00 1.00 N ATOM 762 CA THR A 52 27.887 4.212 12.108 1.00 1.00 C ATOM 763 C THR A 52 28.126 2.772 12.551 1.00 1.00 C ATOM 764 O THR A 52 27.382 1.865 12.176 1.00 1.00 O ATOM 765 CB THR A 52 28.933 4.607 11.063 1.00 1.00 C ATOM 766 OG1 THR A 52 29.371 3.445 10.372 1.00 1.00 O ATOM 767 CG2 THR A 52 30.124 5.271 11.756 1.00 1.00 C ATOM 0 H THR A 52 28.567 5.924 13.117 1.00 1.00 H new ATOM 0 HA THR A 52 26.891 4.285 11.671 1.00 1.00 H new ATOM 0 HB THR A 52 28.493 5.308 10.354 1.00 1.00 H new ATOM 0 HG1 THR A 52 30.040 3.696 9.701 1.00 1.00 H new ATOM 0 HG21 THR A 52 30.868 5.552 11.011 1.00 1.00 H new ATOM 0 HG22 THR A 52 29.786 6.162 12.285 1.00 1.00 H new ATOM 0 HG23 THR A 52 30.567 4.573 12.466 1.00 1.00 H new ATOM 775 N VAL A 53 29.169 2.569 13.349 1.00 1.00 N ATOM 776 CA VAL A 53 29.498 1.235 13.838 1.00 1.00 C ATOM 777 C VAL A 53 28.337 0.658 14.642 1.00 1.00 C ATOM 778 O VAL A 53 28.161 -0.559 14.711 1.00 1.00 O ATOM 779 CB VAL A 53 30.750 1.292 14.713 1.00 1.00 C ATOM 780 CG1 VAL A 53 30.940 -0.051 15.420 1.00 1.00 C ATOM 781 CG2 VAL A 53 31.970 1.583 13.837 1.00 1.00 C ATOM 0 H VAL A 53 29.797 3.306 13.669 1.00 1.00 H new ATOM 0 HA VAL A 53 29.686 0.590 12.979 1.00 1.00 H new ATOM 0 HB VAL A 53 30.638 2.081 15.456 1.00 1.00 H new ATOM 0 HG11 VAL A 53 31.833 -0.011 16.044 1.00 1.00 H new ATOM 0 HG12 VAL A 53 30.071 -0.260 16.043 1.00 1.00 H new ATOM 0 HG13 VAL A 53 31.052 -0.841 14.677 1.00 1.00 H new ATOM 0 HG21 VAL A 53 32.864 1.624 14.460 1.00 1.00 H new ATOM 0 HG22 VAL A 53 32.081 0.793 13.094 1.00 1.00 H new ATOM 0 HG23 VAL A 53 31.836 2.540 13.332 1.00 1.00 H new ATOM 791 N PHE A 54 27.550 1.539 15.251 1.00 1.00 N ATOM 792 CA PHE A 54 26.409 1.105 16.049 1.00 1.00 C ATOM 793 C PHE A 54 25.489 0.209 15.227 1.00 1.00 C ATOM 794 O PHE A 54 24.917 -0.751 15.744 1.00 1.00 O ATOM 795 CB PHE A 54 25.628 2.321 16.549 1.00 1.00 C ATOM 796 CG PHE A 54 24.926 1.975 17.840 1.00 1.00 C ATOM 797 CD1 PHE A 54 25.648 1.927 19.038 1.00 1.00 C ATOM 798 CD2 PHE A 54 23.553 1.699 17.838 1.00 1.00 C ATOM 799 CE1 PHE A 54 24.997 1.606 20.235 1.00 1.00 C ATOM 800 CE2 PHE A 54 22.902 1.377 19.034 1.00 1.00 C ATOM 801 CZ PHE A 54 23.624 1.330 20.233 1.00 1.00 C ATOM 0 H PHE A 54 27.680 2.550 15.208 1.00 1.00 H new ATOM 0 HA PHE A 54 26.782 0.538 16.902 1.00 1.00 H new ATOM 0 HB2 PHE A 54 26.304 3.161 16.705 1.00 1.00 H new ATOM 0 HB3 PHE A 54 24.900 2.632 15.799 1.00 1.00 H new ATOM 0 HD1 PHE A 54 26.707 2.138 19.039 1.00 1.00 H new ATOM 0 HD2 PHE A 54 22.997 1.735 16.913 1.00 1.00 H new ATOM 0 HE1 PHE A 54 25.554 1.571 21.160 1.00 1.00 H new ATOM 0 HE2 PHE A 54 21.843 1.165 19.032 1.00 1.00 H new ATOM 0 HZ PHE A 54 23.122 1.081 21.156 1.00 1.00 H new ATOM 811 N ARG A 55 25.351 0.529 13.944 1.00 1.00 N ATOM 812 CA ARG A 55 24.497 -0.255 13.059 1.00 1.00 C ATOM 813 C ARG A 55 25.313 -1.313 12.325 1.00 1.00 C ATOM 814 O ARG A 55 24.845 -2.429 12.102 1.00 1.00 O ATOM 815 CB ARG A 55 23.816 0.664 12.042 1.00 1.00 C ATOM 816 CG ARG A 55 23.016 1.740 12.781 1.00 1.00 C ATOM 817 CD ARG A 55 23.822 3.038 12.820 1.00 1.00 C ATOM 818 NE ARG A 55 23.210 3.985 13.746 1.00 1.00 N ATOM 819 CZ ARG A 55 22.072 4.602 13.445 1.00 1.00 C ATOM 820 NH1 ARG A 55 21.483 4.366 12.305 1.00 1.00 N ATOM 821 NH2 ARG A 55 21.544 5.445 14.289 1.00 1.00 N ATOM 0 H ARG A 55 25.816 1.319 13.497 1.00 1.00 H new ATOM 0 HA ARG A 55 23.739 -0.753 13.664 1.00 1.00 H new ATOM 0 HB2 ARG A 55 24.563 1.129 11.399 1.00 1.00 H new ATOM 0 HB3 ARG A 55 23.156 0.084 11.397 1.00 1.00 H new ATOM 0 HG2 ARG A 55 22.062 1.907 12.281 1.00 1.00 H new ATOM 0 HG3 ARG A 55 22.791 1.409 13.795 1.00 1.00 H new ATOM 0 HD2 ARG A 55 24.847 2.829 13.127 1.00 1.00 H new ATOM 0 HD3 ARG A 55 23.871 3.474 11.822 1.00 1.00 H new ATOM 0 HE ARG A 55 23.663 4.177 14.639 1.00 1.00 H new ATOM 0 HH11 ARG A 55 21.896 3.708 11.644 1.00 1.00 H new ATOM 0 HH12 ARG A 55 20.610 4.840 12.074 1.00 1.00 H new ATOM 0 HH21 ARG A 55 22.005 5.631 15.180 1.00 1.00 H new ATOM 0 HH22 ARG A 55 20.671 5.919 14.058 1.00 1.00 H new ATOM 835 N LYS A 56 26.537 -0.954 11.950 1.00 1.00 N ATOM 836 CA LYS A 56 27.410 -1.881 11.240 1.00 1.00 C ATOM 837 C LYS A 56 27.599 -3.163 12.046 1.00 1.00 C ATOM 838 O LYS A 56 28.220 -4.116 11.576 1.00 1.00 O ATOM 839 CB LYS A 56 28.771 -1.228 10.990 1.00 1.00 C ATOM 840 CG LYS A 56 29.353 -1.746 9.674 1.00 1.00 C ATOM 841 CD LYS A 56 28.788 -0.931 8.509 1.00 1.00 C ATOM 842 CE LYS A 56 29.725 0.237 8.198 1.00 1.00 C ATOM 843 NZ LYS A 56 30.920 -0.267 7.463 1.00 1.00 N ATOM 0 H LYS A 56 26.944 -0.035 12.124 1.00 1.00 H new ATOM 0 HA LYS A 56 26.946 -2.130 10.286 1.00 1.00 H new ATOM 0 HB2 LYS A 56 28.664 -0.144 10.951 1.00 1.00 H new ATOM 0 HB3 LYS A 56 29.450 -1.452 11.813 1.00 1.00 H new ATOM 0 HG2 LYS A 56 30.440 -1.671 9.691 1.00 1.00 H new ATOM 0 HG3 LYS A 56 29.108 -2.800 9.546 1.00 1.00 H new ATOM 0 HD2 LYS A 56 28.676 -1.565 7.629 1.00 1.00 H new ATOM 0 HD3 LYS A 56 27.796 -0.557 8.761 1.00 1.00 H new ATOM 0 HE2 LYS A 56 29.205 0.985 7.599 1.00 1.00 H new ATOM 0 HE3 LYS A 56 30.033 0.726 9.122 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 31.764 0.256 7.772 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 31.048 -1.280 7.662 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 30.783 -0.130 6.441 1.00 1.00 H new