USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=13 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 15 ASN : amide:sc= -0.019 K(o=-0.019,f=-2!) USER MOD Set 1.2: A 21 TYR OH : rot 180:sc= 0 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 16 GLN : amide:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= -0.427 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.839 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 37:sc= 0.216 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 170:sc= 0 (180deg=-0.142) USER MOD Single : A 43 THR OG1 : rot 10:sc= 1.19 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.42 K(o=-0.42,f=-3.3!) 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 50.715 -4.425 -20.370 1.00 1.00 N ATOM 58 CA GLY A 5 51.422 -5.577 -20.918 1.00 1.00 C ATOM 59 C GLY A 5 52.793 -5.173 -21.449 1.00 1.00 C ATOM 60 O GLY A 5 53.533 -4.444 -20.791 1.00 1.00 O ATOM 0 HA2 GLY A 5 51.536 -6.339 -20.147 1.00 1.00 H new ATOM 0 HA3 GLY A 5 50.834 -6.022 -21.721 1.00 1.00 H new ATOM 64 N ASP A 6 53.122 -5.653 -22.644 1.00 1.00 N ATOM 65 CA ASP A 6 54.408 -5.337 -23.254 1.00 1.00 C ATOM 66 C ASP A 6 54.552 -3.831 -23.453 1.00 1.00 C ATOM 67 O ASP A 6 54.424 -3.328 -24.569 1.00 1.00 O ATOM 68 CB ASP A 6 54.533 -6.047 -24.604 1.00 1.00 C ATOM 69 CG ASP A 6 55.088 -7.453 -24.402 1.00 1.00 C ATOM 70 OD1 ASP A 6 54.435 -8.234 -23.730 1.00 1.00 O ATOM 71 OD2 ASP A 6 56.157 -7.728 -24.922 1.00 1.00 O ATOM 0 H ASP A 6 52.521 -6.257 -23.205 1.00 1.00 H new ATOM 0 HA ASP A 6 55.200 -5.680 -22.588 1.00 1.00 H new ATOM 0 HB2 ASP A 6 53.558 -6.098 -25.090 1.00 1.00 H new ATOM 0 HB3 ASP A 6 55.189 -5.479 -25.264 1.00 1.00 H new ATOM 76 N PHE A 7 54.821 -3.119 -22.364 1.00 1.00 N ATOM 77 CA PHE A 7 54.981 -1.672 -22.430 1.00 1.00 C ATOM 78 C PHE A 7 55.942 -1.190 -21.346 1.00 1.00 C ATOM 79 O PHE A 7 57.115 -1.563 -21.336 1.00 1.00 O ATOM 80 CB PHE A 7 53.624 -0.986 -22.257 1.00 1.00 C ATOM 81 CG PHE A 7 52.771 -1.252 -23.473 1.00 1.00 C ATOM 82 CD1 PHE A 7 52.864 -0.414 -24.591 1.00 1.00 C ATOM 83 CD2 PHE A 7 51.887 -2.337 -23.485 1.00 1.00 C ATOM 84 CE1 PHE A 7 52.075 -0.661 -25.720 1.00 1.00 C ATOM 85 CE2 PHE A 7 51.096 -2.585 -24.614 1.00 1.00 C ATOM 86 CZ PHE A 7 51.191 -1.747 -25.732 1.00 1.00 C ATOM 0 H PHE A 7 54.932 -3.517 -21.432 1.00 1.00 H new ATOM 0 HA PHE A 7 55.393 -1.415 -23.406 1.00 1.00 H new ATOM 0 HB2 PHE A 7 53.127 -1.359 -21.361 1.00 1.00 H new ATOM 0 HB3 PHE A 7 53.761 0.087 -22.122 1.00 1.00 H new ATOM 0 HD1 PHE A 7 53.545 0.424 -24.582 1.00 1.00 H new ATOM 0 HD2 PHE A 7 51.815 -2.984 -22.623 1.00 1.00 H new ATOM 0 HE1 PHE A 7 52.148 -0.014 -26.582 1.00 1.00 H new ATOM 0 HE2 PHE A 7 50.413 -3.422 -24.622 1.00 1.00 H new ATOM 0 HZ PHE A 7 50.582 -1.938 -26.603 1.00 1.00 H new ATOM 96 N ASP A 8 55.437 -0.362 -20.438 1.00 1.00 N ATOM 97 CA ASP A 8 56.265 0.162 -19.357 1.00 1.00 C ATOM 98 C ASP A 8 57.643 0.553 -19.881 1.00 1.00 C ATOM 99 O ASP A 8 58.550 -0.275 -19.947 1.00 1.00 O ATOM 100 CB ASP A 8 56.412 -0.893 -18.257 1.00 1.00 C ATOM 101 CG ASP A 8 56.751 -0.223 -16.930 1.00 1.00 C ATOM 102 OD1 ASP A 8 56.075 0.729 -16.579 1.00 1.00 O ATOM 103 OD2 ASP A 8 57.680 -0.676 -16.281 1.00 1.00 O ATOM 0 H ASP A 8 54.469 -0.042 -20.428 1.00 1.00 H new ATOM 0 HA ASP A 8 55.781 1.049 -18.947 1.00 1.00 H new ATOM 0 HB2 ASP A 8 55.486 -1.461 -18.161 1.00 1.00 H new ATOM 0 HB3 ASP A 8 57.195 -1.603 -18.525 1.00 1.00 H new ATOM 108 N ASN A 9 57.789 1.821 -20.256 1.00 1.00 N ATOM 109 CA ASN A 9 59.060 2.315 -20.779 1.00 1.00 C ATOM 110 C ASN A 9 59.451 3.623 -20.098 1.00 1.00 C ATOM 111 O ASN A 9 60.530 4.160 -20.342 1.00 1.00 O ATOM 112 CB ASN A 9 58.948 2.539 -22.288 1.00 1.00 C ATOM 113 CG ASN A 9 60.183 1.988 -22.992 1.00 1.00 C ATOM 114 OD1 ASN A 9 60.383 0.774 -23.039 1.00 1.00 O ATOM 115 ND2 ASN A 9 61.026 2.813 -23.552 1.00 1.00 N ATOM 0 H ASN A 9 57.049 2.521 -20.208 1.00 1.00 H new ATOM 0 HA ASN A 9 59.829 1.570 -20.575 1.00 1.00 H new ATOM 0 HB2 ASN A 9 58.053 2.049 -22.671 1.00 1.00 H new ATOM 0 HB3 ASN A 9 58.844 3.603 -22.499 1.00 1.00 H new ATOM 0 HD21 ASN A 9 61.852 2.452 -24.029 1.00 1.00 H new ATOM 0 HD22 ASN A 9 60.859 3.818 -23.512 1.00 1.00 H new ATOM 122 N TYR A 10 58.564 4.126 -19.239 1.00 1.00 N ATOM 123 CA TYR A 10 58.808 5.376 -18.514 1.00 1.00 C ATOM 124 C TYR A 10 58.845 6.569 -19.468 1.00 1.00 C ATOM 125 O TYR A 10 58.390 7.659 -19.121 1.00 1.00 O ATOM 126 CB TYR A 10 60.122 5.305 -17.722 1.00 1.00 C ATOM 127 CG TYR A 10 59.809 5.232 -16.247 1.00 1.00 C ATOM 128 CD1 TYR A 10 58.952 4.235 -15.765 1.00 1.00 C ATOM 129 CD2 TYR A 10 60.373 6.157 -15.361 1.00 1.00 C ATOM 130 CE1 TYR A 10 58.658 4.164 -14.399 1.00 1.00 C ATOM 131 CE2 TYR A 10 60.080 6.087 -13.994 1.00 1.00 C ATOM 132 CZ TYR A 10 59.223 5.090 -13.512 1.00 1.00 C ATOM 133 OH TYR A 10 58.932 5.021 -12.165 1.00 1.00 O ATOM 0 H TYR A 10 57.668 3.687 -19.027 1.00 1.00 H new ATOM 0 HA TYR A 10 57.982 5.513 -17.816 1.00 1.00 H new ATOM 0 HB2 TYR A 10 60.698 4.431 -18.027 1.00 1.00 H new ATOM 0 HB3 TYR A 10 60.735 6.181 -17.933 1.00 1.00 H new ATOM 0 HD1 TYR A 10 58.518 3.520 -16.448 1.00 1.00 H new ATOM 0 HD2 TYR A 10 61.035 6.925 -15.732 1.00 1.00 H new ATOM 0 HE1 TYR A 10 57.996 3.396 -14.028 1.00 1.00 H new ATOM 0 HE2 TYR A 10 60.515 6.802 -13.311 1.00 1.00 H new ATOM 0 HH TYR A 10 59.406 5.736 -11.691 1.00 1.00 H new ATOM 143 N TYR A 11 59.383 6.362 -20.665 1.00 1.00 N ATOM 144 CA TYR A 11 59.467 7.433 -21.651 1.00 1.00 C ATOM 145 C TYR A 11 60.555 8.430 -21.265 1.00 1.00 C ATOM 146 O TYR A 11 61.585 8.051 -20.709 1.00 1.00 O ATOM 147 CB TYR A 11 58.117 8.150 -21.755 1.00 1.00 C ATOM 148 CG TYR A 11 57.933 8.687 -23.155 1.00 1.00 C ATOM 149 CD1 TYR A 11 57.823 7.800 -24.234 1.00 1.00 C ATOM 150 CD2 TYR A 11 57.871 10.068 -23.376 1.00 1.00 C ATOM 151 CE1 TYR A 11 57.651 8.295 -25.532 1.00 1.00 C ATOM 152 CE2 TYR A 11 57.699 10.563 -24.674 1.00 1.00 C ATOM 153 CZ TYR A 11 57.589 9.676 -25.752 1.00 1.00 C ATOM 154 OH TYR A 11 57.419 10.164 -27.032 1.00 1.00 O ATOM 0 H TYR A 11 59.765 5.468 -20.975 1.00 1.00 H new ATOM 0 HA TYR A 11 59.720 6.998 -22.618 1.00 1.00 H new ATOM 0 HB2 TYR A 11 57.309 7.461 -21.510 1.00 1.00 H new ATOM 0 HB3 TYR A 11 58.071 8.965 -21.033 1.00 1.00 H new ATOM 0 HD1 TYR A 11 57.871 6.734 -24.064 1.00 1.00 H new ATOM 0 HD2 TYR A 11 57.956 10.752 -22.544 1.00 1.00 H new ATOM 0 HE1 TYR A 11 57.566 7.611 -26.364 1.00 1.00 H new ATOM 0 HE2 TYR A 11 57.651 11.628 -24.844 1.00 1.00 H new ATOM 0 HH TYR A 11 57.396 11.143 -27.008 1.00 1.00 H new ATOM 164 N GLY A 12 60.318 9.704 -21.563 1.00 1.00 N ATOM 165 CA GLY A 12 61.287 10.747 -21.240 1.00 1.00 C ATOM 166 C GLY A 12 61.909 10.504 -19.869 1.00 1.00 C ATOM 167 O GLY A 12 63.057 10.872 -19.624 1.00 1.00 O ATOM 0 H GLY A 12 59.471 10.038 -22.024 1.00 1.00 H new ATOM 0 HA2 GLY A 12 62.068 10.771 -22.000 1.00 1.00 H new ATOM 0 HA3 GLY A 12 60.798 11.721 -21.255 1.00 1.00 H new ATOM 171 N ALA A 13 61.141 9.879 -18.982 1.00 1.00 N ATOM 172 CA ALA A 13 61.623 9.586 -17.637 1.00 1.00 C ATOM 173 C ALA A 13 61.957 10.876 -16.892 1.00 1.00 C ATOM 174 O ALA A 13 61.244 11.273 -15.970 1.00 1.00 O ATOM 175 CB ALA A 13 62.865 8.694 -17.708 1.00 1.00 C ATOM 0 H ALA A 13 60.188 9.567 -19.169 1.00 1.00 H new ATOM 0 HA ALA A 13 60.834 9.064 -17.095 1.00 1.00 H new ATOM 0 HB1 ALA A 13 63.218 8.481 -16.699 1.00 1.00 H new ATOM 0 HB2 ALA A 13 62.614 7.760 -18.210 1.00 1.00 H new ATOM 0 HB3 ALA A 13 63.649 9.206 -18.266 1.00 1.00 H new ATOM 181 N ASP A 14 63.043 11.526 -17.297 1.00 1.00 N ATOM 182 CA ASP A 14 63.459 12.769 -16.660 1.00 1.00 C ATOM 183 C ASP A 14 62.273 13.718 -16.514 1.00 1.00 C ATOM 184 O ASP A 14 62.220 14.522 -15.585 1.00 1.00 O ATOM 185 CB ASP A 14 64.553 13.442 -17.490 1.00 1.00 C ATOM 186 CG ASP A 14 65.927 13.079 -16.937 1.00 1.00 C ATOM 187 OD1 ASP A 14 66.102 11.938 -16.543 1.00 1.00 O ATOM 188 OD2 ASP A 14 66.783 13.947 -16.917 1.00 1.00 O ATOM 0 H ASP A 14 63.647 11.215 -18.058 1.00 1.00 H new ATOM 0 HA ASP A 14 63.848 12.535 -15.669 1.00 1.00 H new ATOM 0 HB2 ASP A 14 64.476 13.127 -18.531 1.00 1.00 H new ATOM 0 HB3 ASP A 14 64.420 14.524 -17.473 1.00 1.00 H new ATOM 193 N ASN A 15 61.325 13.615 -17.440 1.00 1.00 N ATOM 194 CA ASN A 15 60.143 14.468 -17.405 1.00 1.00 C ATOM 195 C ASN A 15 59.349 14.232 -16.125 1.00 1.00 C ATOM 196 O ASN A 15 58.811 15.170 -15.535 1.00 1.00 O ATOM 197 CB ASN A 15 59.256 14.181 -18.618 1.00 1.00 C ATOM 198 CG ASN A 15 57.923 14.908 -18.474 1.00 1.00 C ATOM 199 OD1 ASN A 15 56.944 14.325 -18.010 1.00 1.00 O ATOM 200 ND2 ASN A 15 57.827 16.156 -18.845 1.00 1.00 N ATOM 0 H ASN A 15 61.351 12.955 -18.217 1.00 1.00 H new ATOM 0 HA ASN A 15 60.468 15.508 -17.430 1.00 1.00 H new ATOM 0 HB2 ASN A 15 59.758 14.503 -19.530 1.00 1.00 H new ATOM 0 HB3 ASN A 15 59.086 13.108 -18.709 1.00 1.00 H new ATOM 0 HD21 ASN A 15 56.939 16.649 -18.750 1.00 1.00 H new ATOM 0 HD22 ASN A 15 58.640 16.638 -19.229 1.00 1.00 H new ATOM 207 N GLN A 16 59.280 12.975 -15.701 1.00 1.00 N ATOM 208 CA GLN A 16 58.549 12.627 -14.488 1.00 1.00 C ATOM 209 C GLN A 16 59.511 12.435 -13.320 1.00 1.00 C ATOM 210 O GLN A 16 59.351 11.516 -12.517 1.00 1.00 O ATOM 211 CB GLN A 16 57.748 11.343 -14.709 1.00 1.00 C ATOM 212 CG GLN A 16 57.098 11.377 -16.094 1.00 1.00 C ATOM 213 CD GLN A 16 55.825 10.537 -16.093 1.00 1.00 C ATOM 214 OE1 GLN A 16 54.835 10.908 -16.724 1.00 1.00 O ATOM 215 NE2 GLN A 16 55.792 9.421 -15.418 1.00 1.00 N ATOM 0 H GLN A 16 59.718 12.185 -16.175 1.00 1.00 H new ATOM 0 HA GLN A 16 57.866 13.443 -14.252 1.00 1.00 H new ATOM 0 HB2 GLN A 16 58.402 10.475 -14.624 1.00 1.00 H new ATOM 0 HB3 GLN A 16 56.983 11.242 -13.939 1.00 1.00 H new ATOM 0 HG2 GLN A 16 56.865 12.405 -16.370 1.00 1.00 H new ATOM 0 HG3 GLN A 16 57.794 10.996 -16.841 1.00 1.00 H new ATOM 0 HE21 GLN A 16 56.614 9.116 -14.896 1.00 1.00 H new ATOM 0 HE22 GLN A 16 54.945 8.853 -15.412 1.00 1.00 H new ATOM 224 N SER A 17 60.508 13.309 -13.232 1.00 1.00 N ATOM 225 CA SER A 17 61.490 13.227 -12.158 1.00 1.00 C ATOM 226 C SER A 17 61.005 13.986 -10.928 1.00 1.00 C ATOM 227 O SER A 17 61.253 15.184 -10.793 1.00 1.00 O ATOM 228 CB SER A 17 62.825 13.810 -12.625 1.00 1.00 C ATOM 229 OG SER A 17 63.538 12.821 -13.356 1.00 1.00 O ATOM 0 H SER A 17 60.657 14.077 -13.887 1.00 1.00 H new ATOM 0 HA SER A 17 61.624 12.178 -11.894 1.00 1.00 H new ATOM 0 HB2 SER A 17 62.654 14.687 -13.249 1.00 1.00 H new ATOM 0 HB3 SER A 17 63.412 14.139 -11.767 1.00 1.00 H new ATOM 0 HG SER A 17 64.393 13.191 -13.659 1.00 1.00 H new ATOM 235 N GLU A 18 60.315 13.273 -10.037 1.00 1.00 N ATOM 236 CA GLU A 18 59.788 13.867 -8.808 1.00 1.00 C ATOM 237 C GLU A 18 59.384 15.322 -9.023 1.00 1.00 C ATOM 238 O GLU A 18 59.662 16.185 -8.189 1.00 1.00 O ATOM 239 CB GLU A 18 60.829 13.776 -7.689 1.00 1.00 C ATOM 240 CG GLU A 18 62.143 14.418 -8.140 1.00 1.00 C ATOM 241 CD GLU A 18 63.086 14.562 -6.951 1.00 1.00 C ATOM 242 OE1 GLU A 18 62.715 14.134 -5.870 1.00 1.00 O ATOM 243 OE2 GLU A 18 64.167 15.096 -7.138 1.00 1.00 O ATOM 0 H GLU A 18 60.108 12.280 -10.144 1.00 1.00 H new ATOM 0 HA GLU A 18 58.898 13.306 -8.521 1.00 1.00 H new ATOM 0 HB2 GLU A 18 60.458 14.277 -6.795 1.00 1.00 H new ATOM 0 HB3 GLU A 18 60.998 12.733 -7.422 1.00 1.00 H new ATOM 0 HG2 GLU A 18 62.609 13.807 -8.913 1.00 1.00 H new ATOM 0 HG3 GLU A 18 61.948 15.396 -8.581 1.00 1.00 H new ATOM 250 N CYS A 19 58.728 15.587 -10.147 1.00 1.00 N ATOM 251 CA CYS A 19 58.290 16.942 -10.464 1.00 1.00 C ATOM 252 C CYS A 19 56.958 17.244 -9.787 1.00 1.00 C ATOM 253 O CYS A 19 56.826 18.235 -9.069 1.00 1.00 O ATOM 254 CB CYS A 19 58.143 17.102 -11.978 1.00 1.00 C ATOM 255 SG CYS A 19 57.790 18.833 -12.370 1.00 1.00 S ATOM 0 H CYS A 19 58.489 14.887 -10.850 1.00 1.00 H new ATOM 0 HA CYS A 19 59.040 17.643 -10.096 1.00 1.00 H new ATOM 0 HB2 CYS A 19 59.057 16.784 -12.479 1.00 1.00 H new ATOM 0 HB3 CYS A 19 57.340 16.464 -12.346 1.00 1.00 H new ATOM 0 HG CYS A 19 57.667 18.970 -13.657 1.00 1.00 H new ATOM 261 N GLU A 20 55.971 16.385 -10.021 1.00 1.00 N ATOM 262 CA GLU A 20 54.652 16.571 -9.428 1.00 1.00 C ATOM 263 C GLU A 20 53.748 15.385 -9.749 1.00 1.00 C ATOM 264 O GLU A 20 52.526 15.523 -9.811 1.00 1.00 O ATOM 265 CB GLU A 20 54.017 17.857 -9.959 1.00 1.00 C ATOM 266 CG GLU A 20 54.255 17.960 -11.466 1.00 1.00 C ATOM 267 CD GLU A 20 53.202 18.863 -12.100 1.00 1.00 C ATOM 268 OE1 GLU A 20 53.221 20.050 -11.818 1.00 1.00 O ATOM 269 OE2 GLU A 20 52.391 18.355 -12.856 1.00 1.00 O ATOM 0 H GLU A 20 56.058 15.559 -10.613 1.00 1.00 H new ATOM 0 HA GLU A 20 54.768 16.643 -8.347 1.00 1.00 H new ATOM 0 HB2 GLU A 20 52.948 17.861 -9.748 1.00 1.00 H new ATOM 0 HB3 GLU A 20 54.445 18.722 -9.453 1.00 1.00 H new ATOM 0 HG2 GLU A 20 55.251 18.358 -11.659 1.00 1.00 H new ATOM 0 HG3 GLU A 20 54.215 16.969 -11.917 1.00 1.00 H new ATOM 276 N TYR A 21 54.357 14.221 -9.950 1.00 1.00 N ATOM 277 CA TYR A 21 53.598 13.016 -10.263 1.00 1.00 C ATOM 278 C TYR A 21 53.480 12.122 -9.033 1.00 1.00 C ATOM 279 O TYR A 21 53.427 10.897 -9.147 1.00 1.00 O ATOM 280 CB TYR A 21 54.284 12.246 -11.393 1.00 1.00 C ATOM 281 CG TYR A 21 54.139 13.015 -12.684 1.00 1.00 C ATOM 282 CD1 TYR A 21 54.878 14.186 -12.887 1.00 1.00 C ATOM 283 CD2 TYR A 21 53.265 12.557 -13.678 1.00 1.00 C ATOM 284 CE1 TYR A 21 54.744 14.900 -14.084 1.00 1.00 C ATOM 285 CE2 TYR A 21 53.132 13.270 -14.875 1.00 1.00 C ATOM 286 CZ TYR A 21 53.871 14.442 -15.078 1.00 1.00 C ATOM 287 OH TYR A 21 53.738 15.145 -16.258 1.00 1.00 O ATOM 0 H TYR A 21 55.367 14.087 -9.902 1.00 1.00 H new ATOM 0 HA TYR A 21 52.598 13.311 -10.580 1.00 1.00 H new ATOM 0 HB2 TYR A 21 55.339 12.100 -11.160 1.00 1.00 H new ATOM 0 HB3 TYR A 21 53.840 11.256 -11.495 1.00 1.00 H new ATOM 0 HD1 TYR A 21 55.552 14.539 -12.120 1.00 1.00 H new ATOM 0 HD2 TYR A 21 52.694 11.654 -13.521 1.00 1.00 H new ATOM 0 HE1 TYR A 21 55.314 15.804 -14.240 1.00 1.00 H new ATOM 0 HE2 TYR A 21 52.459 12.916 -15.642 1.00 1.00 H new ATOM 0 HH TYR A 21 53.093 14.690 -16.839 1.00 1.00 H new ATOM 297 N THR A 22 53.439 12.743 -7.858 1.00 1.00 N ATOM 298 CA THR A 22 53.326 11.993 -6.613 1.00 1.00 C ATOM 299 C THR A 22 53.110 12.938 -5.435 1.00 1.00 C ATOM 300 O THR A 22 52.429 12.596 -4.469 1.00 1.00 O ATOM 301 CB THR A 22 54.596 11.170 -6.382 1.00 1.00 C ATOM 302 OG1 THR A 22 54.436 10.373 -5.217 1.00 1.00 O ATOM 303 CG2 THR A 22 55.790 12.108 -6.202 1.00 1.00 C ATOM 0 H THR A 22 53.482 13.756 -7.743 1.00 1.00 H new ATOM 0 HA THR A 22 52.468 11.325 -6.690 1.00 1.00 H new ATOM 0 HB THR A 22 54.772 10.525 -7.243 1.00 1.00 H new ATOM 0 HG1 THR A 22 55.248 9.844 -5.068 1.00 1.00 H new ATOM 0 HG21 THR A 22 56.693 11.520 -6.038 1.00 1.00 H new ATOM 0 HG22 THR A 22 55.912 12.718 -7.097 1.00 1.00 H new ATOM 0 HG23 THR A 22 55.617 12.756 -5.343 1.00 1.00 H new ATOM 311 N ASP A 23 53.695 14.129 -5.522 1.00 1.00 N ATOM 312 CA ASP A 23 53.559 15.115 -4.457 1.00 1.00 C ATOM 313 C ASP A 23 52.219 15.836 -4.561 1.00 1.00 C ATOM 314 O ASP A 23 52.078 16.972 -4.110 1.00 1.00 O ATOM 315 CB ASP A 23 54.697 16.135 -4.541 1.00 1.00 C ATOM 316 CG ASP A 23 55.011 16.681 -3.153 1.00 1.00 C ATOM 317 OD1 ASP A 23 55.351 15.889 -2.289 1.00 1.00 O ATOM 318 OD2 ASP A 23 54.908 17.883 -2.973 1.00 1.00 O ATOM 0 H ASP A 23 54.263 14.432 -6.313 1.00 1.00 H new ATOM 0 HA ASP A 23 53.606 14.596 -3.500 1.00 1.00 H new ATOM 0 HB2 ASP A 23 55.585 15.667 -4.966 1.00 1.00 H new ATOM 0 HB3 ASP A 23 54.417 16.951 -5.207 1.00 1.00 H new ATOM 323 N TRP A 24 51.238 15.166 -5.156 1.00 1.00 N ATOM 324 CA TRP A 24 49.912 15.752 -5.313 1.00 1.00 C ATOM 325 C TRP A 24 48.829 14.714 -5.031 1.00 1.00 C ATOM 326 O TRP A 24 48.006 14.891 -4.134 1.00 1.00 O ATOM 327 CB TRP A 24 49.745 16.294 -6.735 1.00 1.00 C ATOM 328 CG TRP A 24 49.908 15.178 -7.716 1.00 1.00 C ATOM 329 CD1 TRP A 24 51.048 14.477 -7.911 1.00 1.00 C ATOM 330 CD2 TRP A 24 48.923 14.624 -8.635 1.00 1.00 C ATOM 331 NE1 TRP A 24 50.826 13.527 -8.892 1.00 1.00 N ATOM 332 CE2 TRP A 24 49.531 13.578 -9.369 1.00 1.00 C ATOM 333 CE3 TRP A 24 47.574 14.924 -8.900 1.00 1.00 C ATOM 334 CZ2 TRP A 24 48.826 12.855 -10.332 1.00 1.00 C ATOM 335 CZ3 TRP A 24 46.863 14.198 -9.869 1.00 1.00 C ATOM 336 CH2 TRP A 24 47.486 13.166 -10.583 1.00 1.00 C ATOM 0 H TRP A 24 51.334 14.224 -5.535 1.00 1.00 H new ATOM 0 HA TRP A 24 49.810 16.569 -4.599 1.00 1.00 H new ATOM 0 HB2 TRP A 24 48.762 16.751 -6.848 1.00 1.00 H new ATOM 0 HB3 TRP A 24 50.483 17.073 -6.928 1.00 1.00 H new ATOM 0 HD1 TRP A 24 51.979 14.633 -7.387 1.00 1.00 H new ATOM 0 HE1 TRP A 24 51.532 12.869 -9.222 1.00 1.00 H new ATOM 0 HE3 TRP A 24 47.083 15.717 -8.355 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 49.312 12.061 -10.880 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 45.828 14.437 -10.065 1.00 1.00 H new ATOM 0 HH2 TRP A 24 46.932 12.612 -11.326 1.00 1.00 H new ATOM 347 N LYS A 25 48.839 13.631 -5.803 1.00 1.00 N ATOM 348 CA LYS A 25 47.856 12.568 -5.628 1.00 1.00 C ATOM 349 C LYS A 25 46.474 13.154 -5.356 1.00 1.00 C ATOM 350 O LYS A 25 46.128 13.447 -4.211 1.00 1.00 O ATOM 351 CB LYS A 25 48.267 11.662 -4.467 1.00 1.00 C ATOM 352 CG LYS A 25 48.778 10.328 -5.015 1.00 1.00 C ATOM 353 CD LYS A 25 49.454 9.537 -3.894 1.00 1.00 C ATOM 354 CE LYS A 25 50.966 9.519 -4.123 1.00 1.00 C ATOM 355 NZ LYS A 25 51.647 8.987 -2.908 1.00 1.00 N ATOM 0 H LYS A 25 49.513 13.467 -6.551 1.00 1.00 H new ATOM 0 HA LYS A 25 47.814 11.983 -6.547 1.00 1.00 H new ATOM 0 HB2 LYS A 25 49.043 12.144 -3.873 1.00 1.00 H new ATOM 0 HB3 LYS A 25 47.417 11.494 -3.805 1.00 1.00 H new ATOM 0 HG2 LYS A 25 47.950 9.753 -5.431 1.00 1.00 H new ATOM 0 HG3 LYS A 25 49.484 10.503 -5.827 1.00 1.00 H new ATOM 0 HD2 LYS A 25 49.227 9.988 -2.928 1.00 1.00 H new ATOM 0 HD3 LYS A 25 49.067 8.518 -3.869 1.00 1.00 H new ATOM 0 HE2 LYS A 25 51.206 8.900 -4.988 1.00 1.00 H new ATOM 0 HE3 LYS A 25 51.323 10.525 -4.342 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 52.675 8.975 -3.064 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 51.427 9.595 -2.093 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 51.314 8.020 -2.719 1.00 1.00 H new ATOM 369 N SER A 26 45.689 13.321 -6.415 1.00 1.00 N ATOM 370 CA SER A 26 44.345 13.873 -6.278 1.00 1.00 C ATOM 371 C SER A 26 43.458 13.416 -7.432 1.00 1.00 C ATOM 372 O SER A 26 43.710 13.749 -8.590 1.00 1.00 O ATOM 373 CB SER A 26 44.408 15.400 -6.253 1.00 1.00 C ATOM 374 OG SER A 26 44.410 15.848 -4.904 1.00 1.00 O ATOM 0 H SER A 26 45.957 13.084 -7.370 1.00 1.00 H new ATOM 0 HA SER A 26 43.918 13.513 -5.342 1.00 1.00 H new ATOM 0 HB2 SER A 26 45.306 15.747 -6.765 1.00 1.00 H new ATOM 0 HB3 SER A 26 43.555 15.819 -6.786 1.00 1.00 H new ATOM 0 HG SER A 26 44.933 15.228 -4.354 1.00 1.00 H new ATOM 380 N SER A 27 42.420 12.652 -7.108 1.00 1.00 N ATOM 381 CA SER A 27 41.503 12.157 -8.127 1.00 1.00 C ATOM 382 C SER A 27 40.602 13.281 -8.631 1.00 1.00 C ATOM 383 O SER A 27 39.377 13.179 -8.579 1.00 1.00 O ATOM 384 CB SER A 27 40.642 11.032 -7.552 1.00 1.00 C ATOM 385 OG SER A 27 40.094 10.268 -8.618 1.00 1.00 O ATOM 0 H SER A 27 42.194 12.364 -6.156 1.00 1.00 H new ATOM 0 HA SER A 27 42.091 11.776 -8.962 1.00 1.00 H new ATOM 0 HB2 SER A 27 41.243 10.394 -6.903 1.00 1.00 H new ATOM 0 HB3 SER A 27 39.842 11.448 -6.939 1.00 1.00 H new ATOM 0 HG SER A 27 39.543 9.545 -8.253 1.00 1.00 H new ATOM 391 N GLY A 28 41.220 14.352 -9.118 1.00 1.00 N ATOM 392 CA GLY A 28 40.465 15.491 -9.628 1.00 1.00 C ATOM 393 C GLY A 28 40.348 16.585 -8.571 1.00 1.00 C ATOM 394 O GLY A 28 39.588 17.539 -8.735 1.00 1.00 O ATOM 0 H GLY A 28 42.233 14.455 -9.170 1.00 1.00 H new ATOM 0 HA2 GLY A 28 40.956 15.889 -10.516 1.00 1.00 H new ATOM 0 HA3 GLY A 28 39.470 15.166 -9.932 1.00 1.00 H new ATOM 398 N ALA A 29 41.105 16.438 -7.489 1.00 1.00 N ATOM 399 CA ALA A 29 41.077 17.420 -6.412 1.00 1.00 C ATOM 400 C ALA A 29 39.834 17.233 -5.548 1.00 1.00 C ATOM 401 O ALA A 29 39.451 18.126 -4.792 1.00 1.00 O ATOM 402 CB ALA A 29 41.089 18.835 -6.993 1.00 1.00 C ATOM 0 H ALA A 29 41.740 15.655 -7.335 1.00 1.00 H new ATOM 0 HA ALA A 29 41.962 17.275 -5.792 1.00 1.00 H new ATOM 0 HB1 ALA A 29 41.068 19.562 -6.181 1.00 1.00 H new ATOM 0 HB2 ALA A 29 41.993 18.978 -7.584 1.00 1.00 H new ATOM 0 HB3 ALA A 29 40.214 18.975 -7.628 1.00 1.00 H new ATOM 408 N LEU A 30 39.208 16.067 -5.667 1.00 1.00 N ATOM 409 CA LEU A 30 38.007 15.773 -4.892 1.00 1.00 C ATOM 410 C LEU A 30 38.378 15.229 -3.516 1.00 1.00 C ATOM 411 O LEU A 30 37.561 15.232 -2.596 1.00 1.00 O ATOM 412 CB LEU A 30 37.146 14.748 -5.633 1.00 1.00 C ATOM 413 CG LEU A 30 36.227 15.472 -6.618 1.00 1.00 C ATOM 414 CD1 LEU A 30 37.069 16.310 -7.582 1.00 1.00 C ATOM 415 CD2 LEU A 30 35.421 14.441 -7.413 1.00 1.00 C ATOM 0 H LEU A 30 39.509 15.315 -6.287 1.00 1.00 H new ATOM 0 HA LEU A 30 37.443 16.697 -4.765 1.00 1.00 H new ATOM 0 HB2 LEU A 30 37.781 14.040 -6.165 1.00 1.00 H new ATOM 0 HB3 LEU A 30 36.553 14.173 -4.922 1.00 1.00 H new ATOM 0 HG LEU A 30 35.547 16.123 -6.069 1.00 1.00 H new ATOM 0 HD11 LEU A 30 36.413 16.826 -8.284 1.00 1.00 H new ATOM 0 HD12 LEU A 30 37.646 17.043 -7.018 1.00 1.00 H new ATOM 0 HD13 LEU A 30 37.749 15.659 -8.132 1.00 1.00 H new ATOM 0 HD21 LEU A 30 34.765 14.955 -8.116 1.00 1.00 H new ATOM 0 HD22 LEU A 30 36.103 13.791 -7.962 1.00 1.00 H new ATOM 0 HD23 LEU A 30 34.821 13.842 -6.728 1.00 1.00 H new ATOM 427 N ILE A 31 39.616 14.763 -3.383 1.00 1.00 N ATOM 428 CA ILE A 31 40.084 14.218 -2.114 1.00 1.00 C ATOM 429 C ILE A 31 40.196 15.313 -1.045 1.00 1.00 C ATOM 430 O ILE A 31 39.534 15.225 -0.011 1.00 1.00 O ATOM 431 CB ILE A 31 41.429 13.509 -2.301 1.00 1.00 C ATOM 432 CG1 ILE A 31 41.181 12.089 -2.815 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.165 13.437 -0.961 1.00 1.00 C ATOM 434 CD1 ILE A 31 40.367 12.148 -4.109 1.00 1.00 C ATOM 0 H ILE A 31 40.308 14.752 -4.132 1.00 1.00 H new ATOM 0 HA ILE A 31 39.350 13.490 -1.769 1.00 1.00 H new ATOM 0 HB ILE A 31 42.035 14.064 -3.018 1.00 1.00 H new ATOM 0 HG12 ILE A 31 42.131 11.585 -2.993 1.00 1.00 H new ATOM 0 HG13 ILE A 31 40.647 11.507 -2.064 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.121 12.932 -1.098 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.338 14.446 -0.586 1.00 1.00 H new ATOM 0 HG23 ILE A 31 41.561 12.882 -0.243 1.00 1.00 H new ATOM 0 HD11 ILE A 31 40.191 11.136 -4.474 1.00 1.00 H new ATOM 0 HD12 ILE A 31 39.411 12.636 -3.916 1.00 1.00 H new ATOM 0 HD13 ILE A 31 40.918 12.714 -4.860 1.00 1.00 H new ATOM 446 N PRO A 32 41.000 16.337 -1.250 1.00 1.00 N ATOM 447 CA PRO A 32 41.148 17.435 -0.248 1.00 1.00 C ATOM 448 C PRO A 32 39.800 18.005 0.182 1.00 1.00 C ATOM 449 O PRO A 32 39.708 18.728 1.174 1.00 1.00 O ATOM 450 CB PRO A 32 41.986 18.504 -0.968 1.00 1.00 C ATOM 451 CG PRO A 32 42.030 18.096 -2.404 1.00 1.00 C ATOM 452 CD PRO A 32 41.852 16.584 -2.427 1.00 1.00 C ATOM 0 HA PRO A 32 41.616 17.078 0.669 1.00 1.00 H new ATOM 0 HB2 PRO A 32 41.538 19.491 -0.857 1.00 1.00 H new ATOM 0 HB3 PRO A 32 42.990 18.561 -0.548 1.00 1.00 H new ATOM 0 HG2 PRO A 32 41.241 18.589 -2.972 1.00 1.00 H new ATOM 0 HG3 PRO A 32 42.978 18.382 -2.860 1.00 1.00 H new ATOM 0 HD2 PRO A 32 41.377 16.247 -3.348 1.00 1.00 H new ATOM 0 HD3 PRO A 32 42.807 16.063 -2.352 1.00 1.00 H new ATOM 460 N ALA A 33 38.756 17.675 -0.570 1.00 1.00 N ATOM 461 CA ALA A 33 37.417 18.160 -0.257 1.00 1.00 C ATOM 462 C ALA A 33 36.656 17.133 0.577 1.00 1.00 C ATOM 463 O ALA A 33 36.484 17.306 1.784 1.00 1.00 O ATOM 464 CB ALA A 33 36.646 18.440 -1.548 1.00 1.00 C ATOM 0 H ALA A 33 38.810 17.078 -1.395 1.00 1.00 H new ATOM 0 HA ALA A 33 37.512 19.082 0.317 1.00 1.00 H new ATOM 0 HB1 ALA A 33 35.647 18.802 -1.304 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.173 19.196 -2.130 1.00 1.00 H new ATOM 0 HB3 ALA A 33 36.567 17.522 -2.131 1.00 1.00 H new ATOM 470 N ILE A 34 36.204 16.066 -0.073 1.00 1.00 N ATOM 471 CA ILE A 34 35.464 15.019 0.620 1.00 1.00 C ATOM 472 C ILE A 34 36.181 14.618 1.905 1.00 1.00 C ATOM 473 O ILE A 34 35.544 14.273 2.900 1.00 1.00 O ATOM 474 CB ILE A 34 35.317 13.796 -0.287 1.00 1.00 C ATOM 475 CG1 ILE A 34 34.517 14.181 -1.534 1.00 1.00 C ATOM 476 CG2 ILE A 34 34.582 12.686 0.466 1.00 1.00 C ATOM 477 CD1 ILE A 34 34.593 13.047 -2.560 1.00 1.00 C ATOM 0 H ILE A 34 36.336 15.904 -1.071 1.00 1.00 H new ATOM 0 HA ILE A 34 34.476 15.404 0.873 1.00 1.00 H new ATOM 0 HB ILE A 34 36.305 13.442 -0.582 1.00 1.00 H new ATOM 0 HG12 ILE A 34 33.478 14.375 -1.267 1.00 1.00 H new ATOM 0 HG13 ILE A 34 34.913 15.101 -1.963 1.00 1.00 H new ATOM 0 HG21 ILE A 34 34.478 11.815 -0.181 1.00 1.00 H new ATOM 0 HG22 ILE A 34 35.150 12.412 1.355 1.00 1.00 H new ATOM 0 HG23 ILE A 34 33.594 13.039 0.761 1.00 1.00 H new ATOM 0 HD11 ILE A 34 34.023 13.321 -3.448 1.00 1.00 H new ATOM 0 HD12 ILE A 34 35.633 12.874 -2.835 1.00 1.00 H new ATOM 0 HD13 ILE A 34 34.176 12.137 -2.128 1.00 1.00 H new ATOM 489 N TYR A 35 37.509 14.665 1.875 1.00 1.00 N ATOM 490 CA TYR A 35 38.303 14.303 3.044 1.00 1.00 C ATOM 491 C TYR A 35 38.199 15.382 4.117 1.00 1.00 C ATOM 492 O TYR A 35 38.346 15.104 5.307 1.00 1.00 O ATOM 493 CB TYR A 35 39.768 14.120 2.642 1.00 1.00 C ATOM 494 CG TYR A 35 40.538 13.537 3.802 1.00 1.00 C ATOM 495 CD1 TYR A 35 40.387 12.185 4.134 1.00 1.00 C ATOM 496 CD2 TYR A 35 41.403 14.348 4.547 1.00 1.00 C ATOM 497 CE1 TYR A 35 41.102 11.644 5.209 1.00 1.00 C ATOM 498 CE2 TYR A 35 42.118 13.808 5.623 1.00 1.00 C ATOM 499 CZ TYR A 35 41.967 12.456 5.954 1.00 1.00 C ATOM 500 OH TYR A 35 42.672 11.923 7.014 1.00 1.00 O ATOM 0 H TYR A 35 38.055 14.948 1.061 1.00 1.00 H new ATOM 0 HA TYR A 35 37.917 13.367 3.448 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.839 13.461 1.776 1.00 1.00 H new ATOM 0 HB3 TYR A 35 40.199 15.078 2.350 1.00 1.00 H new ATOM 0 HD1 TYR A 35 39.719 11.560 3.561 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.519 15.391 4.291 1.00 1.00 H new ATOM 0 HE1 TYR A 35 40.987 10.601 5.464 1.00 1.00 H new ATOM 0 HE2 TYR A 35 42.785 14.434 6.197 1.00 1.00 H new ATOM 0 HH TYR A 35 43.226 12.621 7.422 1.00 1.00 H new ATOM 510 N MET A 36 37.944 16.615 3.688 1.00 1.00 N ATOM 511 CA MET A 36 37.823 17.728 4.622 1.00 1.00 C ATOM 512 C MET A 36 36.464 17.702 5.314 1.00 1.00 C ATOM 513 O MET A 36 36.371 17.894 6.526 1.00 1.00 O ATOM 514 CB MET A 36 37.995 19.053 3.879 1.00 1.00 C ATOM 515 CG MET A 36 37.900 20.213 4.873 1.00 1.00 C ATOM 516 SD MET A 36 39.333 21.301 4.668 1.00 1.00 S ATOM 517 CE MET A 36 38.886 21.962 3.045 1.00 1.00 C ATOM 0 H MET A 36 37.818 16.867 2.708 1.00 1.00 H new ATOM 0 HA MET A 36 38.603 17.631 5.377 1.00 1.00 H new ATOM 0 HB2 MET A 36 38.959 19.074 3.370 1.00 1.00 H new ATOM 0 HB3 MET A 36 37.227 19.154 3.112 1.00 1.00 H new ATOM 0 HG2 MET A 36 36.979 20.772 4.709 1.00 1.00 H new ATOM 0 HG3 MET A 36 37.863 19.830 5.893 1.00 1.00 H new ATOM 0 HE1 MET A 36 39.545 22.794 2.797 1.00 1.00 H new ATOM 0 HE2 MET A 36 38.989 21.180 2.293 1.00 1.00 H new ATOM 0 HE3 MET A 36 37.854 22.311 3.066 1.00 1.00 H new ATOM 527 N LEU A 37 35.414 17.466 4.535 1.00 1.00 N ATOM 528 CA LEU A 37 34.063 17.418 5.085 1.00 1.00 C ATOM 529 C LEU A 37 33.853 16.132 5.879 1.00 1.00 C ATOM 530 O LEU A 37 32.719 15.745 6.161 1.00 1.00 O ATOM 531 CB LEU A 37 33.036 17.495 3.954 1.00 1.00 C ATOM 532 CG LEU A 37 33.393 18.651 3.018 1.00 1.00 C ATOM 533 CD1 LEU A 37 32.353 18.743 1.900 1.00 1.00 C ATOM 534 CD2 LEU A 37 33.408 19.961 3.808 1.00 1.00 C ATOM 0 H LEU A 37 35.470 17.306 3.529 1.00 1.00 H new ATOM 0 HA LEU A 37 33.932 18.269 5.753 1.00 1.00 H new ATOM 0 HB2 LEU A 37 33.019 16.557 3.400 1.00 1.00 H new ATOM 0 HB3 LEU A 37 32.037 17.641 4.365 1.00 1.00 H new ATOM 0 HG LEU A 37 34.378 18.476 2.585 1.00 1.00 H new ATOM 0 HD11 LEU A 37 32.608 19.567 1.233 1.00 1.00 H new ATOM 0 HD12 LEU A 37 32.341 17.810 1.336 1.00 1.00 H new ATOM 0 HD13 LEU A 37 31.368 18.918 2.333 1.00 1.00 H new ATOM 0 HD21 LEU A 37 33.662 20.785 3.141 1.00 1.00 H new ATOM 0 HD22 LEU A 37 32.423 20.136 4.242 1.00 1.00 H new ATOM 0 HD23 LEU A 37 34.149 19.897 4.605 1.00 1.00 H new ATOM 546 N VAL A 38 34.953 15.475 6.235 1.00 1.00 N ATOM 547 CA VAL A 38 34.877 14.235 6.997 1.00 1.00 C ATOM 548 C VAL A 38 35.925 14.221 8.105 1.00 1.00 C ATOM 549 O VAL A 38 35.785 13.506 9.097 1.00 1.00 O ATOM 550 CB VAL A 38 35.099 13.038 6.069 1.00 1.00 C ATOM 551 CG1 VAL A 38 35.448 11.803 6.902 1.00 1.00 C ATOM 552 CG2 VAL A 38 33.820 12.768 5.272 1.00 1.00 C ATOM 0 H VAL A 38 35.900 15.778 6.010 1.00 1.00 H new ATOM 0 HA VAL A 38 33.887 14.168 7.448 1.00 1.00 H new ATOM 0 HB VAL A 38 35.918 13.257 5.383 1.00 1.00 H new ATOM 0 HG11 VAL A 38 35.606 10.951 6.241 1.00 1.00 H new ATOM 0 HG12 VAL A 38 36.357 11.994 7.472 1.00 1.00 H new ATOM 0 HG13 VAL A 38 34.630 11.583 7.588 1.00 1.00 H new ATOM 0 HG21 VAL A 38 33.976 11.916 4.611 1.00 1.00 H new ATOM 0 HG22 VAL A 38 33.003 12.549 5.959 1.00 1.00 H new ATOM 0 HG23 VAL A 38 33.569 13.647 4.678 1.00 1.00 H new ATOM 562 N PHE A 39 36.974 15.018 7.930 1.00 1.00 N ATOM 563 CA PHE A 39 38.040 15.091 8.922 1.00 1.00 C ATOM 564 C PHE A 39 37.536 15.749 10.202 1.00 1.00 C ATOM 565 O PHE A 39 37.890 15.335 11.306 1.00 1.00 O ATOM 566 CB PHE A 39 39.219 15.892 8.365 1.00 1.00 C ATOM 567 CG PHE A 39 40.001 16.497 9.507 1.00 1.00 C ATOM 568 CD1 PHE A 39 40.389 15.699 10.589 1.00 1.00 C ATOM 569 CD2 PHE A 39 40.337 17.856 9.483 1.00 1.00 C ATOM 570 CE1 PHE A 39 41.114 16.259 11.648 1.00 1.00 C ATOM 571 CE2 PHE A 39 41.062 18.416 10.541 1.00 1.00 C ATOM 572 CZ PHE A 39 41.451 17.618 11.624 1.00 1.00 C ATOM 0 H PHE A 39 37.108 15.618 7.116 1.00 1.00 H new ATOM 0 HA PHE A 39 38.366 14.077 9.152 1.00 1.00 H new ATOM 0 HB2 PHE A 39 39.864 15.245 7.771 1.00 1.00 H new ATOM 0 HB3 PHE A 39 38.858 16.677 7.701 1.00 1.00 H new ATOM 0 HD1 PHE A 39 40.129 14.651 10.607 1.00 1.00 H new ATOM 0 HD2 PHE A 39 40.037 18.472 8.648 1.00 1.00 H new ATOM 0 HE1 PHE A 39 41.413 15.643 12.483 1.00 1.00 H new ATOM 0 HE2 PHE A 39 41.322 19.464 10.522 1.00 1.00 H new ATOM 0 HZ PHE A 39 42.011 18.050 12.440 1.00 1.00 H new ATOM 582 N LEU A 40 36.706 16.776 10.047 1.00 1.00 N ATOM 583 CA LEU A 40 36.158 17.485 11.198 1.00 1.00 C ATOM 584 C LEU A 40 34.771 16.954 11.542 1.00 1.00 C ATOM 585 O LEU A 40 34.111 17.457 12.451 1.00 1.00 O ATOM 586 CB LEU A 40 36.073 18.982 10.897 1.00 1.00 C ATOM 587 CG LEU A 40 35.259 19.202 9.622 1.00 1.00 C ATOM 588 CD1 LEU A 40 34.100 20.157 9.913 1.00 1.00 C ATOM 589 CD2 LEU A 40 36.159 19.809 8.542 1.00 1.00 C ATOM 0 H LEU A 40 36.400 17.134 9.142 1.00 1.00 H new ATOM 0 HA LEU A 40 36.819 17.323 12.050 1.00 1.00 H new ATOM 0 HB2 LEU A 40 35.608 19.506 11.732 1.00 1.00 H new ATOM 0 HB3 LEU A 40 37.074 19.397 10.778 1.00 1.00 H new ATOM 0 HG LEU A 40 34.864 18.247 9.275 1.00 1.00 H new ATOM 0 HD11 LEU A 40 33.520 20.313 9.003 1.00 1.00 H new ATOM 0 HD12 LEU A 40 33.459 19.727 10.683 1.00 1.00 H new ATOM 0 HD13 LEU A 40 34.494 21.112 10.261 1.00 1.00 H new ATOM 0 HD21 LEU A 40 35.580 19.966 7.632 1.00 1.00 H new ATOM 0 HD22 LEU A 40 36.553 20.763 8.891 1.00 1.00 H new ATOM 0 HD23 LEU A 40 36.985 19.130 8.333 1.00 1.00 H new ATOM 601 N LEU A 41 34.335 15.934 10.810 1.00 1.00 N ATOM 602 CA LEU A 41 33.023 15.341 11.048 1.00 1.00 C ATOM 603 C LEU A 41 33.101 13.819 10.977 1.00 1.00 C ATOM 604 O LEU A 41 32.094 13.145 10.765 1.00 1.00 O ATOM 605 CB LEU A 41 32.024 15.852 10.008 1.00 1.00 C ATOM 606 CG LEU A 41 31.508 17.229 10.426 1.00 1.00 C ATOM 607 CD1 LEU A 41 31.178 18.052 9.180 1.00 1.00 C ATOM 608 CD2 LEU A 41 30.245 17.063 11.275 1.00 1.00 C ATOM 0 H LEU A 41 34.866 15.503 10.053 1.00 1.00 H new ATOM 0 HA LEU A 41 32.690 15.629 12.045 1.00 1.00 H new ATOM 0 HB2 LEU A 41 32.501 15.913 9.030 1.00 1.00 H new ATOM 0 HB3 LEU A 41 31.192 15.154 9.914 1.00 1.00 H new ATOM 0 HG LEU A 41 32.274 17.742 11.007 1.00 1.00 H new ATOM 0 HD11 LEU A 41 30.810 19.033 9.479 1.00 1.00 H new ATOM 0 HD12 LEU A 41 32.076 18.170 8.574 1.00 1.00 H new ATOM 0 HD13 LEU A 41 30.412 17.540 8.598 1.00 1.00 H new ATOM 0 HD21 LEU A 41 29.876 18.044 11.574 1.00 1.00 H new ATOM 0 HD22 LEU A 41 29.480 16.549 10.693 1.00 1.00 H new ATOM 0 HD23 LEU A 41 30.479 16.477 12.164 1.00 1.00 H new ATOM 620 N GLY A 42 34.305 13.286 11.156 1.00 1.00 N ATOM 621 CA GLY A 42 34.503 11.841 11.110 1.00 1.00 C ATOM 622 C GLY A 42 35.457 11.387 12.211 1.00 1.00 C ATOM 623 O GLY A 42 35.874 10.230 12.245 1.00 1.00 O ATOM 0 H GLY A 42 35.152 13.827 11.333 1.00 1.00 H new ATOM 0 HA2 GLY A 42 33.544 11.335 11.222 1.00 1.00 H new ATOM 0 HA3 GLY A 42 34.902 11.555 10.137 1.00 1.00 H new ATOM 627 N THR A 43 35.796 12.306 13.109 1.00 1.00 N ATOM 628 CA THR A 43 36.701 11.989 14.207 1.00 1.00 C ATOM 629 C THR A 43 36.603 13.044 15.304 1.00 1.00 C ATOM 630 O THR A 43 36.575 12.719 16.491 1.00 1.00 O ATOM 631 CB THR A 43 38.141 11.915 13.694 1.00 1.00 C ATOM 632 OG1 THR A 43 38.360 10.651 13.085 1.00 1.00 O ATOM 633 CG2 THR A 43 39.111 12.097 14.862 1.00 1.00 C ATOM 0 H THR A 43 35.461 13.269 13.099 1.00 1.00 H new ATOM 0 HA THR A 43 36.414 11.023 14.621 1.00 1.00 H new ATOM 0 HB THR A 43 38.307 12.705 12.962 1.00 1.00 H new ATOM 0 HG1 THR A 43 37.506 10.180 12.992 1.00 1.00 H new ATOM 0 HG21 THR A 43 40.136 12.044 14.495 1.00 1.00 H new ATOM 0 HG22 THR A 43 38.942 13.068 15.328 1.00 1.00 H new ATOM 0 HG23 THR A 43 38.947 11.309 15.597 1.00 1.00 H new ATOM 641 N THR A 44 36.551 14.309 14.899 1.00 1.00 N ATOM 642 CA THR A 44 36.457 15.404 15.857 1.00 1.00 C ATOM 643 C THR A 44 35.071 15.440 16.494 1.00 1.00 C ATOM 644 O THR A 44 34.868 16.078 17.527 1.00 1.00 O ATOM 645 CB THR A 44 36.734 16.737 15.157 1.00 1.00 C ATOM 646 OG1 THR A 44 38.121 16.834 14.863 1.00 1.00 O ATOM 647 CG2 THR A 44 36.320 17.891 16.070 1.00 1.00 C ATOM 0 H THR A 44 36.572 14.600 13.921 1.00 1.00 H new ATOM 0 HA THR A 44 37.200 15.243 16.638 1.00 1.00 H new ATOM 0 HB THR A 44 36.161 16.789 14.231 1.00 1.00 H new ATOM 0 HG1 THR A 44 38.301 17.686 14.413 1.00 1.00 H new ATOM 0 HG21 THR A 44 36.518 18.839 15.570 1.00 1.00 H new ATOM 0 HG22 THR A 44 35.256 17.814 16.294 1.00 1.00 H new ATOM 0 HG23 THR A 44 36.891 17.844 16.998 1.00 1.00 H new ATOM 655 N GLY A 45 34.120 14.753 15.869 1.00 1.00 N ATOM 656 CA GLY A 45 32.756 14.713 16.384 1.00 1.00 C ATOM 657 C GLY A 45 32.748 14.464 17.889 1.00 1.00 C ATOM 658 O GLY A 45 32.216 15.265 18.657 1.00 1.00 O ATOM 0 H GLY A 45 34.267 14.220 15.012 1.00 1.00 H new ATOM 0 HA2 GLY A 45 32.253 15.655 16.165 1.00 1.00 H new ATOM 0 HA3 GLY A 45 32.195 13.927 15.879 1.00 1.00 H new ATOM 662 N ASN A 46 33.342 13.349 18.301 1.00 1.00 N ATOM 663 CA ASN A 46 33.398 13.004 19.717 1.00 1.00 C ATOM 664 C ASN A 46 32.063 13.298 20.393 1.00 1.00 C ATOM 665 O ASN A 46 31.839 14.400 20.893 1.00 1.00 O ATOM 666 CB ASN A 46 34.507 13.802 20.406 1.00 1.00 C ATOM 667 CG ASN A 46 34.826 13.187 21.764 1.00 1.00 C ATOM 668 OD1 ASN A 46 33.917 12.832 22.515 1.00 1.00 O ATOM 669 ND2 ASN A 46 36.071 13.038 22.126 1.00 1.00 N ATOM 0 H ASN A 46 33.788 12.674 17.680 1.00 1.00 H new ATOM 0 HA ASN A 46 33.610 11.938 19.804 1.00 1.00 H new ATOM 0 HB2 ASN A 46 35.401 13.811 19.783 1.00 1.00 H new ATOM 0 HB3 ASN A 46 34.196 14.839 20.531 1.00 1.00 H new ATOM 0 HD21 ASN A 46 36.293 12.627 23.033 1.00 1.00 H new ATOM 0 HD22 ASN A 46 36.822 13.333 21.502 1.00 1.00 H new ATOM 676 N GLY A 47 31.180 12.305 20.403 1.00 1.00 N ATOM 677 CA GLY A 47 29.869 12.469 21.021 1.00 1.00 C ATOM 678 C GLY A 47 28.849 11.527 20.391 1.00 1.00 C ATOM 679 O GLY A 47 27.779 11.289 20.953 1.00 1.00 O ATOM 0 H GLY A 47 31.346 11.385 19.994 1.00 1.00 H new ATOM 0 HA2 GLY A 47 29.940 12.272 22.091 1.00 1.00 H new ATOM 0 HA3 GLY A 47 29.536 13.501 20.908 1.00 1.00 H new ATOM 683 N LEU A 48 29.186 10.993 19.222 1.00 1.00 N ATOM 684 CA LEU A 48 28.292 10.077 18.525 1.00 1.00 C ATOM 685 C LEU A 48 28.583 8.634 18.923 1.00 1.00 C ATOM 686 O LEU A 48 28.014 7.697 18.362 1.00 1.00 O ATOM 687 CB LEU A 48 28.459 10.234 17.011 1.00 1.00 C ATOM 688 CG LEU A 48 28.465 11.719 16.650 1.00 1.00 C ATOM 689 CD1 LEU A 48 28.596 11.876 15.134 1.00 1.00 C ATOM 690 CD2 LEU A 48 27.156 12.361 17.116 1.00 1.00 C ATOM 0 H LEU A 48 30.066 11.177 18.740 1.00 1.00 H new ATOM 0 HA LEU A 48 27.267 10.319 18.805 1.00 1.00 H new ATOM 0 HB2 LEU A 48 29.389 9.766 16.687 1.00 1.00 H new ATOM 0 HB3 LEU A 48 27.648 9.726 16.490 1.00 1.00 H new ATOM 0 HG LEU A 48 29.307 12.208 17.140 1.00 1.00 H new ATOM 0 HD11 LEU A 48 28.600 12.935 14.877 1.00 1.00 H new ATOM 0 HD12 LEU A 48 29.527 11.418 14.800 1.00 1.00 H new ATOM 0 HD13 LEU A 48 27.754 11.387 14.643 1.00 1.00 H new ATOM 0 HD21 LEU A 48 27.159 13.420 16.859 1.00 1.00 H new ATOM 0 HD22 LEU A 48 26.315 11.871 16.625 1.00 1.00 H new ATOM 0 HD23 LEU A 48 27.060 12.250 18.196 1.00 1.00 H new ATOM 702 N VAL A 49 29.473 8.463 19.897 1.00 1.00 N ATOM 703 CA VAL A 49 29.835 7.129 20.364 1.00 1.00 C ATOM 704 C VAL A 49 29.156 6.825 21.695 1.00 1.00 C ATOM 705 O VAL A 49 29.184 5.689 22.170 1.00 1.00 O ATOM 706 CB VAL A 49 31.352 7.028 20.527 1.00 1.00 C ATOM 707 CG1 VAL A 49 31.698 5.761 21.312 1.00 1.00 C ATOM 708 CG2 VAL A 49 32.010 6.968 19.147 1.00 1.00 C ATOM 0 H VAL A 49 29.953 9.226 20.375 1.00 1.00 H new ATOM 0 HA VAL A 49 29.500 6.401 19.625 1.00 1.00 H new ATOM 0 HB VAL A 49 31.718 7.901 21.067 1.00 1.00 H new ATOM 0 HG11 VAL A 49 32.779 5.689 21.428 1.00 1.00 H new ATOM 0 HG12 VAL A 49 31.229 5.803 22.295 1.00 1.00 H new ATOM 0 HG13 VAL A 49 31.332 4.887 20.773 1.00 1.00 H new ATOM 0 HG21 VAL A 49 33.091 6.896 19.262 1.00 1.00 H new ATOM 0 HG22 VAL A 49 31.644 6.095 18.607 1.00 1.00 H new ATOM 0 HG23 VAL A 49 31.764 7.870 18.587 1.00 1.00 H new ATOM 718 N LEU A 50 28.547 7.847 22.291 1.00 1.00 N ATOM 719 CA LEU A 50 27.860 7.680 23.569 1.00 1.00 C ATOM 720 C LEU A 50 26.475 8.317 23.518 1.00 1.00 C ATOM 721 O LEU A 50 25.837 8.523 24.550 1.00 1.00 O ATOM 722 CB LEU A 50 28.672 8.317 24.703 1.00 1.00 C ATOM 723 CG LEU A 50 30.084 8.657 24.216 1.00 1.00 C ATOM 724 CD1 LEU A 50 30.037 9.861 23.272 1.00 1.00 C ATOM 725 CD2 LEU A 50 30.965 8.994 25.421 1.00 1.00 C ATOM 0 H LEU A 50 28.515 8.794 21.913 1.00 1.00 H new ATOM 0 HA LEU A 50 27.756 6.612 23.759 1.00 1.00 H new ATOM 0 HB2 LEU A 50 28.173 9.220 25.054 1.00 1.00 H new ATOM 0 HB3 LEU A 50 28.726 7.633 25.550 1.00 1.00 H new ATOM 0 HG LEU A 50 30.495 7.800 23.683 1.00 1.00 H new ATOM 0 HD11 LEU A 50 31.045 10.095 22.931 1.00 1.00 H new ATOM 0 HD12 LEU A 50 29.409 9.625 22.413 1.00 1.00 H new ATOM 0 HD13 LEU A 50 29.623 10.721 23.799 1.00 1.00 H new ATOM 0 HD21 LEU A 50 31.971 9.237 25.079 1.00 1.00 H new ATOM 0 HD22 LEU A 50 30.545 9.849 25.951 1.00 1.00 H new ATOM 0 HD23 LEU A 50 31.007 8.136 26.092 1.00 1.00 H new ATOM 737 N TRP A 51 26.015 8.625 22.309 1.00 1.00 N ATOM 738 CA TRP A 51 24.703 9.237 22.136 1.00 1.00 C ATOM 739 C TRP A 51 23.677 8.192 21.706 1.00 1.00 C ATOM 740 O TRP A 51 22.794 7.821 22.479 1.00 1.00 O ATOM 741 CB TRP A 51 24.777 10.345 21.084 1.00 1.00 C ATOM 742 CG TRP A 51 23.458 10.463 20.391 1.00 1.00 C ATOM 743 CD1 TRP A 51 22.282 10.740 21.001 1.00 1.00 C ATOM 744 CD2 TRP A 51 23.157 10.312 18.973 1.00 1.00 C ATOM 745 NE1 TRP A 51 21.280 10.768 20.048 1.00 1.00 N ATOM 746 CE2 TRP A 51 21.770 10.511 18.782 1.00 1.00 C ATOM 747 CE3 TRP A 51 23.947 10.025 17.845 1.00 1.00 C ATOM 748 CZ2 TRP A 51 21.186 10.428 17.518 1.00 1.00 C ATOM 749 CZ3 TRP A 51 23.362 9.941 16.571 1.00 1.00 C ATOM 750 CH2 TRP A 51 21.984 10.142 16.407 1.00 1.00 C ATOM 0 H TRP A 51 26.527 8.462 21.442 1.00 1.00 H new ATOM 0 HA TRP A 51 24.393 9.663 23.090 1.00 1.00 H new ATOM 0 HB2 TRP A 51 25.038 11.292 21.556 1.00 1.00 H new ATOM 0 HB3 TRP A 51 25.561 10.122 20.361 1.00 1.00 H new ATOM 0 HD1 TRP A 51 22.148 10.911 22.059 1.00 1.00 H new ATOM 0 HE1 TRP A 51 20.299 10.956 20.255 1.00 1.00 H new ATOM 0 HE3 TRP A 51 25.009 9.868 17.959 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 20.124 10.584 17.399 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 23.978 9.720 15.712 1.00 1.00 H new ATOM 0 HH2 TRP A 51 21.540 10.076 15.425 1.00 1.00 H new ATOM 761 N THR A 52 23.803 7.723 20.469 1.00 1.00 N ATOM 762 CA THR A 52 22.880 6.720 19.947 1.00 1.00 C ATOM 763 C THR A 52 23.124 5.370 20.614 1.00 1.00 C ATOM 764 O THR A 52 22.195 4.587 20.810 1.00 1.00 O ATOM 765 CB THR A 52 23.060 6.583 18.434 1.00 1.00 C ATOM 766 OG1 THR A 52 22.159 5.603 17.939 1.00 1.00 O ATOM 767 CG2 THR A 52 24.498 6.162 18.124 1.00 1.00 C ATOM 0 H THR A 52 24.528 8.017 19.814 1.00 1.00 H new ATOM 0 HA THR A 52 21.861 7.042 20.164 1.00 1.00 H new ATOM 0 HB THR A 52 22.855 7.540 17.955 1.00 1.00 H new ATOM 0 HG1 THR A 52 22.272 5.515 16.970 1.00 1.00 H new ATOM 0 HG21 THR A 52 24.624 6.065 17.046 1.00 1.00 H new ATOM 0 HG22 THR A 52 25.188 6.916 18.504 1.00 1.00 H new ATOM 0 HG23 THR A 52 24.708 5.205 18.601 1.00 1.00 H new ATOM 775 N VAL A 53 24.379 5.106 20.963 1.00 1.00 N ATOM 776 CA VAL A 53 24.733 3.847 21.608 1.00 1.00 C ATOM 777 C VAL A 53 24.057 3.735 22.970 1.00 1.00 C ATOM 778 O VAL A 53 23.597 2.662 23.359 1.00 1.00 O ATOM 779 CB VAL A 53 26.251 3.758 21.781 1.00 1.00 C ATOM 780 CG1 VAL A 53 26.592 2.582 22.698 1.00 1.00 C ATOM 781 CG2 VAL A 53 26.906 3.545 20.415 1.00 1.00 C ATOM 0 H VAL A 53 25.162 5.742 20.812 1.00 1.00 H new ATOM 0 HA VAL A 53 24.391 3.027 20.976 1.00 1.00 H new ATOM 0 HB VAL A 53 26.622 4.683 22.223 1.00 1.00 H new ATOM 0 HG11 VAL A 53 27.673 2.518 22.821 1.00 1.00 H new ATOM 0 HG12 VAL A 53 26.124 2.732 23.671 1.00 1.00 H new ATOM 0 HG13 VAL A 53 26.222 1.657 22.256 1.00 1.00 H new ATOM 0 HG21 VAL A 53 27.987 3.481 20.536 1.00 1.00 H new ATOM 0 HG22 VAL A 53 26.535 2.620 19.974 1.00 1.00 H new ATOM 0 HG23 VAL A 53 26.663 4.382 19.760 1.00 1.00 H new ATOM 791 N PHE A 54 24.000 4.850 23.691 1.00 1.00 N ATOM 792 CA PHE A 54 23.377 4.866 25.009 1.00 1.00 C ATOM 793 C PHE A 54 21.857 4.840 24.884 1.00 1.00 C ATOM 794 O PHE A 54 21.143 5.254 25.797 1.00 1.00 O ATOM 795 CB PHE A 54 23.807 6.119 25.776 1.00 1.00 C ATOM 796 CG PHE A 54 24.270 5.729 27.159 1.00 1.00 C ATOM 797 CD1 PHE A 54 23.333 5.516 28.177 1.00 1.00 C ATOM 798 CD2 PHE A 54 25.638 5.580 27.423 1.00 1.00 C ATOM 799 CE1 PHE A 54 23.763 5.154 29.459 1.00 1.00 C ATOM 800 CE2 PHE A 54 26.067 5.219 28.706 1.00 1.00 C ATOM 801 CZ PHE A 54 25.130 5.006 29.724 1.00 1.00 C ATOM 0 H PHE A 54 24.375 5.749 23.387 1.00 1.00 H new ATOM 0 HA PHE A 54 23.701 3.979 25.553 1.00 1.00 H new ATOM 0 HB2 PHE A 54 24.610 6.627 25.242 1.00 1.00 H new ATOM 0 HB3 PHE A 54 22.975 6.820 25.844 1.00 1.00 H new ATOM 0 HD1 PHE A 54 22.279 5.631 27.973 1.00 1.00 H new ATOM 0 HD2 PHE A 54 26.361 5.743 26.637 1.00 1.00 H new ATOM 0 HE1 PHE A 54 23.040 4.989 30.244 1.00 1.00 H new ATOM 0 HE2 PHE A 54 27.121 5.105 28.910 1.00 1.00 H new ATOM 0 HZ PHE A 54 25.461 4.728 30.713 1.00 1.00 H new ATOM 811 N ARG A 55 21.371 4.352 23.748 1.00 1.00 N ATOM 812 CA ARG A 55 19.933 4.277 23.512 1.00 1.00 C ATOM 813 C ARG A 55 19.564 2.945 22.869 1.00 1.00 C ATOM 814 O ARG A 55 18.441 2.462 23.016 1.00 1.00 O ATOM 815 CB ARG A 55 19.492 5.424 22.601 1.00 1.00 C ATOM 816 CG ARG A 55 19.832 6.762 23.262 1.00 1.00 C ATOM 817 CD ARG A 55 19.440 7.908 22.328 1.00 1.00 C ATOM 818 NE ARG A 55 18.389 8.717 22.936 1.00 1.00 N ATOM 819 CZ ARG A 55 17.868 9.758 22.297 1.00 1.00 C ATOM 820 NH1 ARG A 55 18.294 10.071 21.104 1.00 1.00 N ATOM 821 NH2 ARG A 55 16.928 10.467 22.861 1.00 1.00 N ATOM 0 H ARG A 55 21.946 4.005 22.981 1.00 1.00 H new ATOM 0 HA ARG A 55 19.423 4.358 24.472 1.00 1.00 H new ATOM 0 HB2 ARG A 55 19.990 5.347 21.635 1.00 1.00 H new ATOM 0 HB3 ARG A 55 18.420 5.361 22.413 1.00 1.00 H new ATOM 0 HG2 ARG A 55 19.304 6.855 24.211 1.00 1.00 H new ATOM 0 HG3 ARG A 55 20.898 6.809 23.485 1.00 1.00 H new ATOM 0 HD2 ARG A 55 20.311 8.529 22.117 1.00 1.00 H new ATOM 0 HD3 ARG A 55 19.095 7.508 21.374 1.00 1.00 H new ATOM 0 HE ARG A 55 18.049 8.479 23.868 1.00 1.00 H new ATOM 0 HH11 ARG A 55 19.027 9.516 20.662 1.00 1.00 H new ATOM 0 HH12 ARG A 55 17.894 10.871 20.613 1.00 1.00 H new ATOM 0 HH21 ARG A 55 16.594 10.221 23.793 1.00 1.00 H new ATOM 0 HH22 ARG A 55 16.528 11.267 22.370 1.00 1.00 H new ATOM 835 N LYS A 56 20.517 2.354 22.155 1.00 1.00 N ATOM 836 CA LYS A 56 20.280 1.076 21.492 1.00 1.00 C ATOM 837 C LYS A 56 20.839 -0.072 22.327 1.00 1.00 C ATOM 838 O LYS A 56 20.552 -1.240 22.063 1.00 1.00 O ATOM 839 CB LYS A 56 20.939 1.073 20.112 1.00 1.00 C ATOM 840 CG LYS A 56 22.456 1.196 20.269 1.00 1.00 C ATOM 841 CD LYS A 56 23.118 -0.138 19.914 1.00 1.00 C ATOM 842 CE LYS A 56 23.035 -0.366 18.403 1.00 1.00 C ATOM 843 NZ LYS A 56 24.393 -0.222 17.804 1.00 1.00 N ATOM 0 H LYS A 56 21.453 2.736 22.021 1.00 1.00 H new ATOM 0 HA LYS A 56 19.204 0.940 21.381 1.00 1.00 H new ATOM 0 HB2 LYS A 56 20.691 0.154 19.581 1.00 1.00 H new ATOM 0 HB3 LYS A 56 20.557 1.900 19.513 1.00 1.00 H new ATOM 0 HG2 LYS A 56 22.836 1.986 19.621 1.00 1.00 H new ATOM 0 HG3 LYS A 56 22.704 1.476 21.293 1.00 1.00 H new ATOM 0 HD2 LYS A 56 24.160 -0.135 20.235 1.00 1.00 H new ATOM 0 HD3 LYS A 56 22.624 -0.953 20.443 1.00 1.00 H new ATOM 0 HE2 LYS A 56 22.638 -1.360 18.196 1.00 1.00 H new ATOM 0 HE3 LYS A 56 22.349 0.352 17.953 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 24.338 -0.377 16.777 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 24.755 0.735 17.991 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 25.035 -0.924 18.226 1.00 1.00 H new