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= -1! C(o=-1!,f=-1.6!) 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= -0.0599! X(o=-0.06!,f=-0.071) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot -125:sc= 0.0496! USER MOD Single : A 19 CYS SG : rot -52:sc= -0.172 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -54:sc= 0.988 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 146:sc= -0.389 (180deg=-1.45!) USER MOD Single : A 43 THR OG1 : rot 13:sc= 1.26 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN :FLIP amide:sc= -1.74! F(o=-2.4,f=-1.7!) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 56 LYS NZ :NH3+ 153:sc= -0.16 (180deg=-1.15) USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 78.160 13.232 -28.893 1.00 1.00 N ATOM 58 CA GLY A 5 77.771 12.254 -27.883 1.00 1.00 C ATOM 59 C GLY A 5 77.612 10.869 -28.499 1.00 1.00 C ATOM 60 O GLY A 5 76.645 10.604 -29.214 1.00 1.00 O ATOM 0 HA2 GLY A 5 78.523 12.221 -27.094 1.00 1.00 H new ATOM 0 HA3 GLY A 5 76.834 12.559 -27.418 1.00 1.00 H new ATOM 64 N ASP A 6 78.567 9.988 -28.217 1.00 1.00 N ATOM 65 CA ASP A 6 78.522 8.632 -28.749 1.00 1.00 C ATOM 66 C ASP A 6 77.244 7.924 -28.309 1.00 1.00 C ATOM 67 O ASP A 6 76.987 6.786 -28.701 1.00 1.00 O ATOM 68 CB ASP A 6 79.738 7.840 -28.264 1.00 1.00 C ATOM 69 CG ASP A 6 80.232 6.913 -29.368 1.00 1.00 C ATOM 70 OD1 ASP A 6 80.447 7.395 -30.468 1.00 1.00 O ATOM 71 OD2 ASP A 6 80.388 5.733 -29.098 1.00 1.00 O ATOM 0 H ASP A 6 79.375 10.187 -27.628 1.00 1.00 H new ATOM 0 HA ASP A 6 78.535 8.689 -29.837 1.00 1.00 H new ATOM 0 HB2 ASP A 6 80.534 8.524 -27.969 1.00 1.00 H new ATOM 0 HB3 ASP A 6 79.474 7.258 -27.381 1.00 1.00 H new ATOM 76 N PHE A 7 76.447 8.606 -27.494 1.00 1.00 N ATOM 77 CA PHE A 7 75.197 8.033 -27.007 1.00 1.00 C ATOM 78 C PHE A 7 74.082 9.073 -27.043 1.00 1.00 C ATOM 79 O PHE A 7 72.998 8.853 -26.500 1.00 1.00 O ATOM 80 CB PHE A 7 75.378 7.525 -25.576 1.00 1.00 C ATOM 81 CG PHE A 7 74.787 8.522 -24.608 1.00 1.00 C ATOM 82 CD1 PHE A 7 75.448 9.731 -24.358 1.00 1.00 C ATOM 83 CD2 PHE A 7 73.579 8.238 -23.961 1.00 1.00 C ATOM 84 CE1 PHE A 7 74.901 10.655 -23.461 1.00 1.00 C ATOM 85 CE2 PHE A 7 73.031 9.163 -23.064 1.00 1.00 C ATOM 86 CZ PHE A 7 73.692 10.372 -22.814 1.00 1.00 C ATOM 0 H PHE A 7 76.642 9.549 -27.158 1.00 1.00 H new ATOM 0 HA PHE A 7 74.923 7.201 -27.655 1.00 1.00 H new ATOM 0 HB2 PHE A 7 74.892 6.556 -25.459 1.00 1.00 H new ATOM 0 HB3 PHE A 7 76.437 7.378 -25.362 1.00 1.00 H new ATOM 0 HD1 PHE A 7 76.380 9.950 -24.858 1.00 1.00 H new ATOM 0 HD2 PHE A 7 73.069 7.305 -24.154 1.00 1.00 H new ATOM 0 HE1 PHE A 7 75.412 11.587 -23.268 1.00 1.00 H new ATOM 0 HE2 PHE A 7 72.099 8.944 -22.565 1.00 1.00 H new ATOM 0 HZ PHE A 7 73.269 11.086 -22.122 1.00 1.00 H new ATOM 96 N ASP A 8 74.354 10.203 -27.686 1.00 1.00 N ATOM 97 CA ASP A 8 73.364 11.270 -27.787 1.00 1.00 C ATOM 98 C ASP A 8 72.033 10.720 -28.288 1.00 1.00 C ATOM 99 O ASP A 8 71.761 10.723 -29.489 1.00 1.00 O ATOM 100 CB ASP A 8 73.863 12.356 -28.742 1.00 1.00 C ATOM 101 CG ASP A 8 74.374 11.722 -30.031 1.00 1.00 C ATOM 102 OD1 ASP A 8 74.293 10.510 -30.145 1.00 1.00 O ATOM 103 OD2 ASP A 8 74.839 12.457 -30.886 1.00 1.00 O ATOM 0 H ASP A 8 75.244 10.404 -28.142 1.00 1.00 H new ATOM 0 HA ASP A 8 73.216 11.699 -26.796 1.00 1.00 H new ATOM 0 HB2 ASP A 8 73.056 13.054 -28.965 1.00 1.00 H new ATOM 0 HB3 ASP A 8 74.660 12.930 -28.269 1.00 1.00 H new ATOM 108 N ASN A 9 71.205 10.251 -27.361 1.00 1.00 N ATOM 109 CA ASN A 9 69.903 9.701 -27.721 1.00 1.00 C ATOM 110 C ASN A 9 68.941 9.787 -26.541 1.00 1.00 C ATOM 111 O ASN A 9 68.056 8.944 -26.386 1.00 1.00 O ATOM 112 CB ASN A 9 70.054 8.241 -28.154 1.00 1.00 C ATOM 113 CG ASN A 9 68.720 7.709 -28.666 1.00 1.00 C ATOM 114 OD1 ASN A 9 68.022 8.396 -29.412 1.00 1.00 O ATOM 115 ND2 ASN A 9 68.321 6.520 -28.307 1.00 1.00 N ATOM 0 H ASN A 9 71.410 10.240 -26.362 1.00 1.00 H new ATOM 0 HA ASN A 9 69.499 10.285 -28.548 1.00 1.00 H new ATOM 0 HB2 ASN A 9 70.811 8.161 -28.934 1.00 1.00 H new ATOM 0 HB3 ASN A 9 70.397 7.637 -27.314 1.00 1.00 H new ATOM 0 HD21 ASN A 9 67.429 6.158 -28.644 1.00 1.00 H new ATOM 0 HD22 ASN A 9 68.901 5.952 -27.689 1.00 1.00 H new ATOM 122 N TYR A 10 69.120 10.809 -25.711 1.00 1.00 N ATOM 123 CA TYR A 10 68.261 10.996 -24.547 1.00 1.00 C ATOM 124 C TYR A 10 68.243 9.736 -23.687 1.00 1.00 C ATOM 125 O TYR A 10 68.993 9.624 -22.717 1.00 1.00 O ATOM 126 CB TYR A 10 66.837 11.328 -24.997 1.00 1.00 C ATOM 127 CG TYR A 10 66.835 12.652 -25.723 1.00 1.00 C ATOM 128 CD1 TYR A 10 66.751 13.848 -24.998 1.00 1.00 C ATOM 129 CD2 TYR A 10 66.916 12.685 -27.120 1.00 1.00 C ATOM 130 CE1 TYR A 10 66.749 15.075 -25.671 1.00 1.00 C ATOM 131 CE2 TYR A 10 66.914 13.912 -27.792 1.00 1.00 C ATOM 132 CZ TYR A 10 66.830 15.108 -27.068 1.00 1.00 C ATOM 133 OH TYR A 10 66.828 16.317 -27.731 1.00 1.00 O ATOM 0 H TYR A 10 69.847 11.516 -25.821 1.00 1.00 H new ATOM 0 HA TYR A 10 68.657 11.821 -23.955 1.00 1.00 H new ATOM 0 HB2 TYR A 10 66.458 10.542 -25.650 1.00 1.00 H new ATOM 0 HB3 TYR A 10 66.173 11.373 -24.134 1.00 1.00 H new ATOM 0 HD1 TYR A 10 66.688 13.823 -23.920 1.00 1.00 H new ATOM 0 HD2 TYR A 10 66.980 11.763 -27.679 1.00 1.00 H new ATOM 0 HE1 TYR A 10 66.685 15.997 -25.112 1.00 1.00 H new ATOM 0 HE2 TYR A 10 66.977 13.937 -28.870 1.00 1.00 H new ATOM 0 HH TYR A 10 66.891 16.161 -28.696 1.00 1.00 H new ATOM 143 N TYR A 11 67.383 8.790 -24.050 1.00 1.00 N ATOM 144 CA TYR A 11 67.277 7.541 -23.303 1.00 1.00 C ATOM 145 C TYR A 11 66.568 7.772 -21.972 1.00 1.00 C ATOM 146 O TYR A 11 66.750 8.808 -21.332 1.00 1.00 O ATOM 147 CB TYR A 11 68.671 6.965 -23.048 1.00 1.00 C ATOM 148 CG TYR A 11 68.612 5.458 -23.111 1.00 1.00 C ATOM 149 CD1 TYR A 11 68.790 4.800 -24.334 1.00 1.00 C ATOM 150 CD2 TYR A 11 68.378 4.716 -21.946 1.00 1.00 C ATOM 151 CE1 TYR A 11 68.736 3.403 -24.393 1.00 1.00 C ATOM 152 CE2 TYR A 11 68.323 3.319 -22.005 1.00 1.00 C ATOM 153 CZ TYR A 11 68.502 2.662 -23.228 1.00 1.00 C ATOM 154 OH TYR A 11 68.449 1.284 -23.287 1.00 1.00 O ATOM 0 H TYR A 11 66.754 8.862 -24.850 1.00 1.00 H new ATOM 0 HA TYR A 11 66.695 6.834 -23.894 1.00 1.00 H new ATOM 0 HB2 TYR A 11 69.374 7.343 -23.790 1.00 1.00 H new ATOM 0 HB3 TYR A 11 69.035 7.285 -22.072 1.00 1.00 H new ATOM 0 HD1 TYR A 11 68.969 5.371 -25.233 1.00 1.00 H new ATOM 0 HD2 TYR A 11 68.240 5.222 -21.002 1.00 1.00 H new ATOM 0 HE1 TYR A 11 68.875 2.896 -25.337 1.00 1.00 H new ATOM 0 HE2 TYR A 11 68.142 2.747 -21.107 1.00 1.00 H new ATOM 0 HH TYR A 11 68.280 0.924 -22.391 1.00 1.00 H new ATOM 164 N GLY A 12 65.760 6.800 -21.562 1.00 1.00 N ATOM 165 CA GLY A 12 65.028 6.908 -20.305 1.00 1.00 C ATOM 166 C GLY A 12 64.416 8.296 -20.148 1.00 1.00 C ATOM 167 O GLY A 12 64.287 8.806 -19.035 1.00 1.00 O ATOM 0 H GLY A 12 65.596 5.935 -22.077 1.00 1.00 H new ATOM 0 HA2 GLY A 12 64.242 6.154 -20.272 1.00 1.00 H new ATOM 0 HA3 GLY A 12 65.699 6.706 -19.470 1.00 1.00 H new ATOM 171 N ALA A 13 64.042 8.902 -21.270 1.00 1.00 N ATOM 172 CA ALA A 13 63.446 10.233 -21.245 1.00 1.00 C ATOM 173 C ALA A 13 62.061 10.187 -20.608 1.00 1.00 C ATOM 174 O ALA A 13 61.755 10.965 -19.704 1.00 1.00 O ATOM 175 CB ALA A 13 63.337 10.783 -22.668 1.00 1.00 C ATOM 0 H ALA A 13 64.140 8.497 -22.201 1.00 1.00 H new ATOM 0 HA ALA A 13 64.085 10.886 -20.651 1.00 1.00 H new ATOM 0 HB1 ALA A 13 62.891 11.777 -22.641 1.00 1.00 H new ATOM 0 HB2 ALA A 13 64.331 10.843 -23.112 1.00 1.00 H new ATOM 0 HB3 ALA A 13 62.712 10.121 -23.267 1.00 1.00 H new ATOM 181 N ASP A 14 61.225 9.268 -21.085 1.00 1.00 N ATOM 182 CA ASP A 14 59.875 9.130 -20.553 1.00 1.00 C ATOM 183 C ASP A 14 59.906 9.013 -19.033 1.00 1.00 C ATOM 184 O ASP A 14 58.937 9.355 -18.354 1.00 1.00 O ATOM 185 CB ASP A 14 59.204 7.891 -21.149 1.00 1.00 C ATOM 186 CG ASP A 14 58.587 7.047 -20.037 1.00 1.00 C ATOM 187 OD1 ASP A 14 59.303 6.239 -19.468 1.00 1.00 O ATOM 188 OD2 ASP A 14 57.410 7.221 -19.773 1.00 1.00 O ATOM 0 H ASP A 14 61.457 8.614 -21.832 1.00 1.00 H new ATOM 0 HA ASP A 14 59.305 10.019 -20.825 1.00 1.00 H new ATOM 0 HB2 ASP A 14 58.434 8.191 -21.860 1.00 1.00 H new ATOM 0 HB3 ASP A 14 59.935 7.301 -21.702 1.00 1.00 H new ATOM 193 N ASN A 15 61.025 8.530 -18.504 1.00 1.00 N ATOM 194 CA ASN A 15 61.171 8.372 -17.062 1.00 1.00 C ATOM 195 C ASN A 15 60.835 9.675 -16.344 1.00 1.00 C ATOM 196 O ASN A 15 60.280 9.665 -15.245 1.00 1.00 O ATOM 197 CB ASN A 15 62.604 7.956 -16.725 1.00 1.00 C ATOM 198 CG ASN A 15 62.628 7.193 -15.405 1.00 1.00 C ATOM 199 OD1 ASN A 15 63.468 6.314 -15.210 1.00 1.00 O ATOM 200 ND2 ASN A 15 61.751 7.477 -14.481 1.00 1.00 N ATOM 0 H ASN A 15 61.839 8.243 -19.048 1.00 1.00 H new ATOM 0 HA ASN A 15 60.480 7.598 -16.728 1.00 1.00 H new ATOM 0 HB2 ASN A 15 63.008 7.332 -17.523 1.00 1.00 H new ATOM 0 HB3 ASN A 15 63.241 8.838 -16.657 1.00 1.00 H new ATOM 0 HD21 ASN A 15 61.761 6.971 -13.596 1.00 1.00 H new ATOM 0 HD22 ASN A 15 61.056 8.205 -14.644 1.00 1.00 H new ATOM 207 N GLN A 16 61.175 10.796 -16.973 1.00 1.00 N ATOM 208 CA GLN A 16 60.904 12.103 -16.385 1.00 1.00 C ATOM 209 C GLN A 16 59.671 12.732 -17.022 1.00 1.00 C ATOM 210 O GLN A 16 59.651 13.930 -17.311 1.00 1.00 O ATOM 211 CB GLN A 16 62.109 13.024 -16.580 1.00 1.00 C ATOM 212 CG GLN A 16 63.387 12.290 -16.166 1.00 1.00 C ATOM 213 CD GLN A 16 64.562 13.261 -16.147 1.00 1.00 C ATOM 214 OE1 GLN A 16 65.210 13.433 -15.114 1.00 1.00 O ATOM 215 NE2 GLN A 16 64.878 13.910 -17.234 1.00 1.00 N ATOM 0 H GLN A 16 61.635 10.826 -17.883 1.00 1.00 H new ATOM 0 HA GLN A 16 60.719 11.969 -15.319 1.00 1.00 H new ATOM 0 HB2 GLN A 16 62.177 13.335 -17.623 1.00 1.00 H new ATOM 0 HB3 GLN A 16 61.988 13.929 -15.985 1.00 1.00 H new ATOM 0 HG2 GLN A 16 63.257 11.844 -15.180 1.00 1.00 H new ATOM 0 HG3 GLN A 16 63.589 11.475 -16.861 1.00 1.00 H new ATOM 0 HE21 GLN A 16 64.340 13.766 -18.089 1.00 1.00 H new ATOM 0 HE22 GLN A 16 65.663 14.561 -17.229 1.00 1.00 H new ATOM 224 N SER A 17 58.643 11.919 -17.241 1.00 1.00 N ATOM 225 CA SER A 17 57.409 12.408 -17.845 1.00 1.00 C ATOM 226 C SER A 17 56.234 11.512 -17.468 1.00 1.00 C ATOM 227 O SER A 17 56.348 10.665 -16.581 1.00 1.00 O ATOM 228 CB SER A 17 57.554 12.447 -19.367 1.00 1.00 C ATOM 229 OG SER A 17 56.326 12.871 -19.944 1.00 1.00 O ATOM 0 H SER A 17 58.639 10.925 -17.011 1.00 1.00 H new ATOM 0 HA SER A 17 57.218 13.414 -17.471 1.00 1.00 H new ATOM 0 HB2 SER A 17 58.357 13.128 -19.650 1.00 1.00 H new ATOM 0 HB3 SER A 17 57.825 11.461 -19.744 1.00 1.00 H new ATOM 0 HG SER A 17 56.030 12.210 -20.604 1.00 1.00 H new ATOM 235 N GLU A 18 55.107 11.704 -18.144 1.00 1.00 N ATOM 236 CA GLU A 18 53.918 10.907 -17.871 1.00 1.00 C ATOM 237 C GLU A 18 54.289 9.441 -17.674 1.00 1.00 C ATOM 238 O GLU A 18 54.466 8.700 -18.642 1.00 1.00 O ATOM 239 CB GLU A 18 52.926 11.033 -19.029 1.00 1.00 C ATOM 240 CG GLU A 18 53.579 10.529 -20.318 1.00 1.00 C ATOM 241 CD GLU A 18 53.228 11.456 -21.477 1.00 1.00 C ATOM 242 OE1 GLU A 18 52.048 11.620 -21.741 1.00 1.00 O ATOM 243 OE2 GLU A 18 54.143 11.987 -22.084 1.00 1.00 O ATOM 0 H GLU A 18 54.992 12.400 -18.881 1.00 1.00 H new ATOM 0 HA GLU A 18 53.457 11.280 -16.956 1.00 1.00 H new ATOM 0 HB2 GLU A 18 52.026 10.456 -18.815 1.00 1.00 H new ATOM 0 HB3 GLU A 18 52.618 12.072 -19.147 1.00 1.00 H new ATOM 0 HG2 GLU A 18 54.661 10.483 -20.193 1.00 1.00 H new ATOM 0 HG3 GLU A 18 53.239 9.516 -20.536 1.00 1.00 H new ATOM 250 N CYS A 19 54.404 9.028 -16.416 1.00 1.00 N ATOM 251 CA CYS A 19 54.755 7.648 -16.104 1.00 1.00 C ATOM 252 C CYS A 19 53.911 7.128 -14.945 1.00 1.00 C ATOM 253 O CYS A 19 54.442 6.653 -13.942 1.00 1.00 O ATOM 254 CB CYS A 19 56.238 7.555 -15.740 1.00 1.00 C ATOM 255 SG CYS A 19 56.711 5.816 -15.572 1.00 1.00 S ATOM 0 H CYS A 19 54.260 9.625 -15.601 1.00 1.00 H new ATOM 0 HA CYS A 19 54.558 7.036 -16.984 1.00 1.00 H new ATOM 0 HB2 CYS A 19 56.843 8.035 -16.509 1.00 1.00 H new ATOM 0 HB3 CYS A 19 56.428 8.086 -14.808 1.00 1.00 H new ATOM 0 HG CYS A 19 55.896 5.222 -14.752 1.00 1.00 H new ATOM 261 N GLU A 20 52.594 7.224 -15.090 1.00 1.00 N ATOM 262 CA GLU A 20 51.684 6.761 -14.048 1.00 1.00 C ATOM 263 C GLU A 20 51.959 7.488 -12.735 1.00 1.00 C ATOM 264 O GLU A 20 51.819 6.915 -11.656 1.00 1.00 O ATOM 265 CB GLU A 20 51.851 5.254 -13.842 1.00 1.00 C ATOM 266 CG GLU A 20 51.803 4.545 -15.196 1.00 1.00 C ATOM 267 CD GLU A 20 50.802 3.395 -15.149 1.00 1.00 C ATOM 268 OE1 GLU A 20 50.983 2.512 -14.327 1.00 1.00 O ATOM 269 OE2 GLU A 20 49.869 3.415 -15.934 1.00 1.00 O ATOM 0 H GLU A 20 52.135 7.615 -15.913 1.00 1.00 H new ATOM 0 HA GLU A 20 50.662 6.975 -14.362 1.00 1.00 H new ATOM 0 HB2 GLU A 20 52.799 5.047 -13.345 1.00 1.00 H new ATOM 0 HB3 GLU A 20 51.061 4.875 -13.193 1.00 1.00 H new ATOM 0 HG2 GLU A 20 51.520 5.252 -15.976 1.00 1.00 H new ATOM 0 HG3 GLU A 20 52.792 4.166 -15.452 1.00 1.00 H new ATOM 276 N TYR A 21 52.348 8.756 -12.837 1.00 1.00 N ATOM 277 CA TYR A 21 52.639 9.551 -11.651 1.00 1.00 C ATOM 278 C TYR A 21 52.077 10.962 -11.801 1.00 1.00 C ATOM 279 O TYR A 21 52.387 11.852 -11.009 1.00 1.00 O ATOM 280 CB TYR A 21 54.151 9.623 -11.428 1.00 1.00 C ATOM 281 CG TYR A 21 54.673 10.949 -11.930 1.00 1.00 C ATOM 282 CD1 TYR A 21 54.799 11.176 -13.305 1.00 1.00 C ATOM 283 CD2 TYR A 21 55.030 11.950 -11.018 1.00 1.00 C ATOM 284 CE1 TYR A 21 55.283 12.405 -13.769 1.00 1.00 C ATOM 285 CE2 TYR A 21 55.514 13.178 -11.483 1.00 1.00 C ATOM 286 CZ TYR A 21 55.640 13.407 -12.858 1.00 1.00 C ATOM 287 OH TYR A 21 56.117 14.618 -13.316 1.00 1.00 O ATOM 0 H TYR A 21 52.468 9.250 -13.721 1.00 1.00 H new ATOM 0 HA TYR A 21 52.168 9.073 -10.792 1.00 1.00 H new ATOM 0 HB2 TYR A 21 54.379 9.508 -10.368 1.00 1.00 H new ATOM 0 HB3 TYR A 21 54.646 8.804 -11.951 1.00 1.00 H new ATOM 0 HD1 TYR A 21 54.523 10.404 -14.008 1.00 1.00 H new ATOM 0 HD2 TYR A 21 54.932 11.774 -9.957 1.00 1.00 H new ATOM 0 HE1 TYR A 21 55.381 12.580 -14.830 1.00 1.00 H new ATOM 0 HE2 TYR A 21 55.791 13.950 -10.780 1.00 1.00 H new ATOM 0 HH TYR A 21 56.317 15.200 -12.554 1.00 1.00 H new ATOM 297 N THR A 22 51.251 11.158 -12.823 1.00 1.00 N ATOM 298 CA THR A 22 50.651 12.465 -13.068 1.00 1.00 C ATOM 299 C THR A 22 49.385 12.326 -13.906 1.00 1.00 C ATOM 300 O THR A 22 48.413 13.055 -13.707 1.00 1.00 O ATOM 301 CB THR A 22 51.649 13.371 -13.793 1.00 1.00 C ATOM 302 OG1 THR A 22 51.073 14.656 -13.978 1.00 1.00 O ATOM 303 CG2 THR A 22 51.996 12.764 -15.154 1.00 1.00 C ATOM 0 H THR A 22 50.983 10.435 -13.491 1.00 1.00 H new ATOM 0 HA THR A 22 50.389 12.909 -12.107 1.00 1.00 H new ATOM 0 HB THR A 22 52.557 13.463 -13.196 1.00 1.00 H new ATOM 0 HG1 THR A 22 51.712 15.237 -14.441 1.00 1.00 H new ATOM 0 HG21 THR A 22 52.707 13.410 -15.670 1.00 1.00 H new ATOM 0 HG22 THR A 22 52.439 11.778 -15.011 1.00 1.00 H new ATOM 0 HG23 THR A 22 51.090 12.671 -15.753 1.00 1.00 H new ATOM 311 N ASP A 23 49.404 11.386 -14.847 1.00 1.00 N ATOM 312 CA ASP A 23 48.250 11.161 -15.711 1.00 1.00 C ATOM 313 C ASP A 23 46.999 10.899 -14.878 1.00 1.00 C ATOM 314 O ASP A 23 45.894 10.809 -15.412 1.00 1.00 O ATOM 315 CB ASP A 23 48.513 9.967 -16.631 1.00 1.00 C ATOM 316 CG ASP A 23 48.577 10.432 -18.082 1.00 1.00 C ATOM 317 OD1 ASP A 23 47.565 10.895 -18.581 1.00 1.00 O ATOM 318 OD2 ASP A 23 49.638 10.317 -18.673 1.00 1.00 O ATOM 0 H ASP A 23 50.198 10.773 -15.030 1.00 1.00 H new ATOM 0 HA ASP A 23 48.090 12.056 -16.313 1.00 1.00 H new ATOM 0 HB2 ASP A 23 49.449 9.483 -16.354 1.00 1.00 H new ATOM 0 HB3 ASP A 23 47.723 9.225 -16.513 1.00 1.00 H new ATOM 323 N TRP A 24 47.182 10.776 -13.568 1.00 1.00 N ATOM 324 CA TRP A 24 46.061 10.524 -12.670 1.00 1.00 C ATOM 325 C TRP A 24 46.204 11.343 -11.390 1.00 1.00 C ATOM 326 O TRP A 24 45.873 10.873 -10.301 1.00 1.00 O ATOM 327 CB TRP A 24 45.995 9.035 -12.322 1.00 1.00 C ATOM 328 CG TRP A 24 47.065 8.708 -11.331 1.00 1.00 C ATOM 329 CD1 TRP A 24 48.373 8.531 -11.630 1.00 1.00 C ATOM 330 CD2 TRP A 24 46.945 8.513 -9.892 1.00 1.00 C ATOM 331 NE1 TRP A 24 49.063 8.241 -10.466 1.00 1.00 N ATOM 332 CE2 TRP A 24 48.225 8.219 -9.368 1.00 1.00 C ATOM 333 CE3 TRP A 24 45.859 8.564 -8.999 1.00 1.00 C ATOM 334 CZ2 TRP A 24 48.422 7.982 -8.007 1.00 1.00 C ATOM 335 CZ3 TRP A 24 46.053 8.327 -7.629 1.00 1.00 C ATOM 336 CH2 TRP A 24 47.333 8.036 -7.133 1.00 1.00 C ATOM 0 H TRP A 24 48.089 10.846 -13.107 1.00 1.00 H new ATOM 0 HA TRP A 24 45.142 10.820 -13.175 1.00 1.00 H new ATOM 0 HB2 TRP A 24 45.016 8.790 -11.911 1.00 1.00 H new ATOM 0 HB3 TRP A 24 46.122 8.434 -13.222 1.00 1.00 H new ATOM 0 HD1 TRP A 24 48.807 8.604 -12.616 1.00 1.00 H new ATOM 0 HE1 TRP A 24 50.067 8.065 -10.424 1.00 1.00 H new ATOM 0 HE3 TRP A 24 44.870 8.787 -9.370 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 49.410 7.758 -7.632 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 45.212 8.369 -6.953 1.00 1.00 H new ATOM 0 HH2 TRP A 24 47.476 7.854 -6.078 1.00 1.00 H new ATOM 347 N LYS A 25 46.698 12.568 -11.530 1.00 1.00 N ATOM 348 CA LYS A 25 46.881 13.444 -10.378 1.00 1.00 C ATOM 349 C LYS A 25 45.532 13.898 -9.831 1.00 1.00 C ATOM 350 O LYS A 25 44.958 14.878 -10.305 1.00 1.00 O ATOM 351 CB LYS A 25 47.710 14.665 -10.779 1.00 1.00 C ATOM 352 CG LYS A 25 48.138 15.429 -9.519 1.00 1.00 C ATOM 353 CD LYS A 25 49.626 15.193 -9.233 1.00 1.00 C ATOM 354 CE LYS A 25 49.853 13.728 -8.852 1.00 1.00 C ATOM 355 NZ LYS A 25 51.226 13.567 -8.295 1.00 1.00 N ATOM 0 H LYS A 25 46.977 12.975 -12.423 1.00 1.00 H new ATOM 0 HA LYS A 25 47.406 12.888 -9.601 1.00 1.00 H new ATOM 0 HB2 LYS A 25 48.588 14.352 -11.343 1.00 1.00 H new ATOM 0 HB3 LYS A 25 47.127 15.315 -11.431 1.00 1.00 H new ATOM 0 HG2 LYS A 25 47.951 16.495 -9.650 1.00 1.00 H new ATOM 0 HG3 LYS A 25 47.541 15.103 -8.667 1.00 1.00 H new ATOM 0 HD2 LYS A 25 50.220 15.446 -10.111 1.00 1.00 H new ATOM 0 HD3 LYS A 25 49.959 15.845 -8.425 1.00 1.00 H new ATOM 0 HE2 LYS A 25 49.112 13.413 -8.118 1.00 1.00 H new ATOM 0 HE3 LYS A 25 49.727 13.090 -9.727 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 51.381 12.572 -8.036 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 51.926 13.852 -9.009 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 51.330 14.165 -7.450 1.00 1.00 H new ATOM 369 N SER A 26 45.032 13.176 -8.831 1.00 1.00 N ATOM 370 CA SER A 26 43.748 13.509 -8.225 1.00 1.00 C ATOM 371 C SER A 26 42.604 12.988 -9.085 1.00 1.00 C ATOM 372 O SER A 26 42.584 13.195 -10.298 1.00 1.00 O ATOM 373 CB SER A 26 43.620 15.024 -8.060 1.00 1.00 C ATOM 374 OG SER A 26 42.976 15.567 -9.204 1.00 1.00 O ATOM 0 H SER A 26 45.494 12.362 -8.426 1.00 1.00 H new ATOM 0 HA SER A 26 43.697 13.036 -7.244 1.00 1.00 H new ATOM 0 HB2 SER A 26 43.048 15.257 -7.162 1.00 1.00 H new ATOM 0 HB3 SER A 26 44.606 15.473 -7.936 1.00 1.00 H new ATOM 0 HG SER A 26 43.452 15.284 -10.013 1.00 1.00 H new ATOM 380 N SER A 27 41.655 12.312 -8.450 1.00 1.00 N ATOM 381 CA SER A 27 40.512 11.764 -9.170 1.00 1.00 C ATOM 382 C SER A 27 39.558 12.877 -9.592 1.00 1.00 C ATOM 383 O SER A 27 38.400 12.623 -9.919 1.00 1.00 O ATOM 384 CB SER A 27 39.771 10.760 -8.288 1.00 1.00 C ATOM 385 OG SER A 27 40.547 9.575 -8.172 1.00 1.00 O ATOM 0 H SER A 27 41.653 12.131 -7.446 1.00 1.00 H new ATOM 0 HA SER A 27 40.879 11.259 -10.064 1.00 1.00 H new ATOM 0 HB2 SER A 27 39.591 11.188 -7.302 1.00 1.00 H new ATOM 0 HB3 SER A 27 38.797 10.530 -8.719 1.00 1.00 H new ATOM 0 HG SER A 27 40.075 8.929 -7.605 1.00 1.00 H new ATOM 391 N GLY A 28 40.053 14.112 -9.585 1.00 1.00 N ATOM 392 CA GLY A 28 39.233 15.254 -9.971 1.00 1.00 C ATOM 393 C GLY A 28 39.500 16.453 -9.064 1.00 1.00 C ATOM 394 O GLY A 28 38.959 17.537 -9.280 1.00 1.00 O ATOM 0 H GLY A 28 41.010 14.345 -9.319 1.00 1.00 H new ATOM 0 HA2 GLY A 28 39.443 15.523 -11.006 1.00 1.00 H new ATOM 0 HA3 GLY A 28 38.179 14.983 -9.920 1.00 1.00 H new ATOM 398 N ALA A 29 40.340 16.250 -8.050 1.00 1.00 N ATOM 399 CA ALA A 29 40.676 17.321 -7.117 1.00 1.00 C ATOM 400 C ALA A 29 39.584 17.485 -6.064 1.00 1.00 C ATOM 401 O ALA A 29 39.401 18.571 -5.511 1.00 1.00 O ATOM 402 CB ALA A 29 40.865 18.640 -7.871 1.00 1.00 C ATOM 0 H ALA A 29 40.797 15.359 -7.855 1.00 1.00 H new ATOM 0 HA ALA A 29 41.607 17.055 -6.617 1.00 1.00 H new ATOM 0 HB1 ALA A 29 41.115 19.431 -7.164 1.00 1.00 H new ATOM 0 HB2 ALA A 29 41.672 18.532 -8.596 1.00 1.00 H new ATOM 0 HB3 ALA A 29 39.942 18.897 -8.391 1.00 1.00 H new ATOM 408 N LEU A 30 38.867 16.401 -5.787 1.00 1.00 N ATOM 409 CA LEU A 30 37.799 16.434 -4.792 1.00 1.00 C ATOM 410 C LEU A 30 38.252 15.757 -3.506 1.00 1.00 C ATOM 411 O LEU A 30 37.520 15.725 -2.518 1.00 1.00 O ATOM 412 CB LEU A 30 36.553 15.720 -5.331 1.00 1.00 C ATOM 413 CG LEU A 30 35.966 16.498 -6.514 1.00 1.00 C ATOM 414 CD1 LEU A 30 36.379 15.821 -7.822 1.00 1.00 C ATOM 415 CD2 LEU A 30 34.440 16.504 -6.405 1.00 1.00 C ATOM 0 H LEU A 30 39.004 15.494 -6.233 1.00 1.00 H new ATOM 0 HA LEU A 30 37.557 17.476 -4.582 1.00 1.00 H new ATOM 0 HB2 LEU A 30 36.812 14.709 -5.644 1.00 1.00 H new ATOM 0 HB3 LEU A 30 35.808 15.628 -4.541 1.00 1.00 H new ATOM 0 HG LEU A 30 36.339 17.522 -6.501 1.00 1.00 H new ATOM 0 HD11 LEU A 30 35.962 16.373 -8.665 1.00 1.00 H new ATOM 0 HD12 LEU A 30 37.466 15.809 -7.898 1.00 1.00 H new ATOM 0 HD13 LEU A 30 36.003 14.798 -7.837 1.00 1.00 H new ATOM 0 HD21 LEU A 30 34.017 17.056 -7.244 1.00 1.00 H new ATOM 0 HD22 LEU A 30 34.070 15.479 -6.422 1.00 1.00 H new ATOM 0 HD23 LEU A 30 34.144 16.981 -5.471 1.00 1.00 H new ATOM 427 N ILE A 31 39.466 15.215 -3.524 1.00 1.00 N ATOM 428 CA ILE A 31 40.004 14.541 -2.349 1.00 1.00 C ATOM 429 C ILE A 31 40.316 15.537 -1.225 1.00 1.00 C ATOM 430 O ILE A 31 40.144 15.212 -0.051 1.00 1.00 O ATOM 431 CB ILE A 31 41.270 13.750 -2.709 1.00 1.00 C ATOM 432 CG1 ILE A 31 41.080 13.048 -4.058 1.00 1.00 C ATOM 433 CG2 ILE A 31 41.532 12.698 -1.631 1.00 1.00 C ATOM 434 CD1 ILE A 31 41.864 13.794 -5.139 1.00 1.00 C ATOM 0 H ILE A 31 40.090 15.229 -4.331 1.00 1.00 H new ATOM 0 HA ILE A 31 39.241 13.850 -1.992 1.00 1.00 H new ATOM 0 HB ILE A 31 42.115 14.436 -2.773 1.00 1.00 H new ATOM 0 HG12 ILE A 31 41.422 12.015 -3.993 1.00 1.00 H new ATOM 0 HG13 ILE A 31 40.022 13.017 -4.318 1.00 1.00 H new ATOM 0 HG21 ILE A 31 42.430 12.134 -1.883 1.00 1.00 H new ATOM 0 HG22 ILE A 31 41.671 13.190 -0.668 1.00 1.00 H new ATOM 0 HG23 ILE A 31 40.682 12.018 -1.572 1.00 1.00 H new ATOM 0 HD11 ILE A 31 41.728 13.294 -6.098 1.00 1.00 H new ATOM 0 HD12 ILE A 31 41.501 14.819 -5.210 1.00 1.00 H new ATOM 0 HD13 ILE A 31 42.923 13.801 -4.881 1.00 1.00 H new ATOM 446 N PRO A 32 40.766 16.732 -1.543 1.00 1.00 N ATOM 447 CA PRO A 32 41.090 17.755 -0.505 1.00 1.00 C ATOM 448 C PRO A 32 39.850 18.210 0.262 1.00 1.00 C ATOM 449 O PRO A 32 39.957 18.766 1.355 1.00 1.00 O ATOM 450 CB PRO A 32 41.694 18.927 -1.292 1.00 1.00 C ATOM 451 CG PRO A 32 41.968 18.413 -2.667 1.00 1.00 C ATOM 452 CD PRO A 32 41.015 17.245 -2.898 1.00 1.00 C ATOM 0 HA PRO A 32 41.768 17.354 0.248 1.00 1.00 H new ATOM 0 HB2 PRO A 32 41.005 19.771 -1.323 1.00 1.00 H new ATOM 0 HB3 PRO A 32 42.610 19.281 -0.820 1.00 1.00 H new ATOM 0 HG2 PRO A 32 41.810 19.194 -3.411 1.00 1.00 H new ATOM 0 HG3 PRO A 32 43.005 18.090 -2.760 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.093 17.569 -3.380 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.460 16.485 -3.540 1.00 1.00 H new ATOM 460 N ALA A 33 38.678 17.975 -0.321 1.00 1.00 N ATOM 461 CA ALA A 33 37.424 18.373 0.315 1.00 1.00 C ATOM 462 C ALA A 33 36.698 17.163 0.897 1.00 1.00 C ATOM 463 O ALA A 33 36.620 17.000 2.113 1.00 1.00 O ATOM 464 CB ALA A 33 36.522 19.065 -0.708 1.00 1.00 C ATOM 0 H ALA A 33 38.569 17.515 -1.225 1.00 1.00 H new ATOM 0 HA ALA A 33 37.657 19.061 1.127 1.00 1.00 H new ATOM 0 HB1 ALA A 33 35.588 19.360 -0.229 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.025 19.950 -1.097 1.00 1.00 H new ATOM 0 HB3 ALA A 33 36.309 18.379 -1.528 1.00 1.00 H new ATOM 470 N ILE A 34 36.163 16.323 0.018 1.00 1.00 N ATOM 471 CA ILE A 34 35.438 15.133 0.454 1.00 1.00 C ATOM 472 C ILE A 34 36.150 14.470 1.630 1.00 1.00 C ATOM 473 O ILE A 34 35.521 13.818 2.462 1.00 1.00 O ATOM 474 CB ILE A 34 35.315 14.142 -0.710 1.00 1.00 C ATOM 475 CG1 ILE A 34 34.094 14.503 -1.562 1.00 1.00 C ATOM 476 CG2 ILE A 34 35.145 12.719 -0.169 1.00 1.00 C ATOM 477 CD1 ILE A 34 34.196 15.958 -2.025 1.00 1.00 C ATOM 0 H ILE A 34 36.216 16.441 -0.994 1.00 1.00 H new ATOM 0 HA ILE A 34 34.441 15.433 0.778 1.00 1.00 H new ATOM 0 HB ILE A 34 36.219 14.193 -1.317 1.00 1.00 H new ATOM 0 HG12 ILE A 34 34.033 13.841 -2.425 1.00 1.00 H new ATOM 0 HG13 ILE A 34 33.181 14.359 -0.985 1.00 1.00 H new ATOM 0 HG21 ILE A 34 35.058 12.021 -1.002 1.00 1.00 H new ATOM 0 HG22 ILE A 34 36.011 12.454 0.438 1.00 1.00 H new ATOM 0 HG23 ILE A 34 34.244 12.668 0.443 1.00 1.00 H new ATOM 0 HD11 ILE A 34 33.325 16.209 -2.630 1.00 1.00 H new ATOM 0 HD12 ILE A 34 34.235 16.615 -1.156 1.00 1.00 H new ATOM 0 HD13 ILE A 34 35.101 16.088 -2.619 1.00 1.00 H new ATOM 489 N TYR A 35 37.466 14.642 1.693 1.00 1.00 N ATOM 490 CA TYR A 35 38.252 14.053 2.772 1.00 1.00 C ATOM 491 C TYR A 35 38.261 14.966 3.996 1.00 1.00 C ATOM 492 O TYR A 35 37.614 14.676 5.002 1.00 1.00 O ATOM 493 CB TYR A 35 39.687 13.813 2.304 1.00 1.00 C ATOM 494 CG TYR A 35 40.388 12.892 3.274 1.00 1.00 C ATOM 495 CD1 TYR A 35 40.144 11.515 3.230 1.00 1.00 C ATOM 496 CD2 TYR A 35 41.282 13.416 4.214 1.00 1.00 C ATOM 497 CE1 TYR A 35 40.795 10.660 4.128 1.00 1.00 C ATOM 498 CE2 TYR A 35 41.934 12.562 5.113 1.00 1.00 C ATOM 499 CZ TYR A 35 41.690 11.183 5.069 1.00 1.00 C ATOM 500 OH TYR A 35 42.333 10.341 5.954 1.00 1.00 O ATOM 0 H TYR A 35 38.008 15.180 1.016 1.00 1.00 H new ATOM 0 HA TYR A 35 37.795 13.102 3.047 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.686 13.375 1.306 1.00 1.00 H new ATOM 0 HB3 TYR A 35 40.221 14.761 2.235 1.00 1.00 H new ATOM 0 HD1 TYR A 35 39.454 11.112 2.504 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.470 14.479 4.247 1.00 1.00 H new ATOM 0 HE1 TYR A 35 40.607 9.597 4.095 1.00 1.00 H new ATOM 0 HE2 TYR A 35 42.624 12.966 5.839 1.00 1.00 H new ATOM 0 HH TYR A 35 42.920 10.866 6.538 1.00 1.00 H new ATOM 510 N MET A 36 39.002 16.066 3.903 1.00 1.00 N ATOM 511 CA MET A 36 39.091 17.010 5.011 1.00 1.00 C ATOM 512 C MET A 36 37.722 17.224 5.650 1.00 1.00 C ATOM 513 O MET A 36 37.624 17.590 6.822 1.00 1.00 O ATOM 514 CB MET A 36 39.653 18.348 4.518 1.00 1.00 C ATOM 515 CG MET A 36 38.531 19.194 3.906 1.00 1.00 C ATOM 516 SD MET A 36 37.699 20.142 5.207 1.00 1.00 S ATOM 517 CE MET A 36 39.068 21.253 5.625 1.00 1.00 C ATOM 0 H MET A 36 39.545 16.324 3.079 1.00 1.00 H new ATOM 0 HA MET A 36 39.762 16.595 5.763 1.00 1.00 H new ATOM 0 HB2 MET A 36 40.114 18.885 5.346 1.00 1.00 H new ATOM 0 HB3 MET A 36 40.433 18.173 3.777 1.00 1.00 H new ATOM 0 HG2 MET A 36 38.941 19.870 3.156 1.00 1.00 H new ATOM 0 HG3 MET A 36 37.814 18.550 3.397 1.00 1.00 H new ATOM 0 HE1 MET A 36 38.672 22.229 5.906 1.00 1.00 H new ATOM 0 HE2 MET A 36 39.633 20.837 6.459 1.00 1.00 H new ATOM 0 HE3 MET A 36 39.724 21.363 4.761 1.00 1.00 H new ATOM 527 N LEU A 37 36.668 16.994 4.874 1.00 1.00 N ATOM 528 CA LEU A 37 35.310 17.165 5.378 1.00 1.00 C ATOM 529 C LEU A 37 34.953 16.042 6.348 1.00 1.00 C ATOM 530 O LEU A 37 34.472 16.294 7.453 1.00 1.00 O ATOM 531 CB LEU A 37 34.317 17.171 4.214 1.00 1.00 C ATOM 532 CG LEU A 37 34.119 18.605 3.717 1.00 1.00 C ATOM 533 CD1 LEU A 37 33.667 18.581 2.256 1.00 1.00 C ATOM 534 CD2 LEU A 37 33.052 19.296 4.569 1.00 1.00 C ATOM 0 H LEU A 37 36.726 16.691 3.902 1.00 1.00 H new ATOM 0 HA LEU A 37 35.256 18.117 5.906 1.00 1.00 H new ATOM 0 HB2 LEU A 37 34.687 16.542 3.404 1.00 1.00 H new ATOM 0 HB3 LEU A 37 33.363 16.751 4.534 1.00 1.00 H new ATOM 0 HG LEU A 37 35.059 19.151 3.797 1.00 1.00 H new ATOM 0 HD11 LEU A 37 33.526 19.602 1.902 1.00 1.00 H new ATOM 0 HD12 LEU A 37 34.426 18.088 1.648 1.00 1.00 H new ATOM 0 HD13 LEU A 37 32.727 18.036 2.175 1.00 1.00 H new ATOM 0 HD21 LEU A 37 32.910 20.317 4.216 1.00 1.00 H new ATOM 0 HD22 LEU A 37 32.112 18.750 4.488 1.00 1.00 H new ATOM 0 HD23 LEU A 37 33.373 19.313 5.611 1.00 1.00 H new ATOM 546 N VAL A 38 35.190 14.804 5.927 1.00 1.00 N ATOM 547 CA VAL A 38 34.890 13.651 6.767 1.00 1.00 C ATOM 548 C VAL A 38 35.640 13.743 8.092 1.00 1.00 C ATOM 549 O VAL A 38 35.196 13.206 9.106 1.00 1.00 O ATOM 550 CB VAL A 38 35.281 12.362 6.045 1.00 1.00 C ATOM 551 CG1 VAL A 38 35.265 11.196 7.035 1.00 1.00 C ATOM 552 CG2 VAL A 38 34.283 12.086 4.918 1.00 1.00 C ATOM 0 H VAL A 38 35.586 14.574 5.016 1.00 1.00 H new ATOM 0 HA VAL A 38 33.819 13.642 6.969 1.00 1.00 H new ATOM 0 HB VAL A 38 36.282 12.470 5.627 1.00 1.00 H new ATOM 0 HG11 VAL A 38 35.544 10.277 6.519 1.00 1.00 H new ATOM 0 HG12 VAL A 38 35.975 11.391 7.839 1.00 1.00 H new ATOM 0 HG13 VAL A 38 34.264 11.088 7.454 1.00 1.00 H new ATOM 0 HG21 VAL A 38 34.561 11.167 4.403 1.00 1.00 H new ATOM 0 HG22 VAL A 38 33.282 11.979 5.336 1.00 1.00 H new ATOM 0 HG23 VAL A 38 34.294 12.916 4.211 1.00 1.00 H new ATOM 562 N PHE A 39 36.780 14.426 8.075 1.00 1.00 N ATOM 563 CA PHE A 39 37.584 14.581 9.282 1.00 1.00 C ATOM 564 C PHE A 39 36.821 15.377 10.336 1.00 1.00 C ATOM 565 O PHE A 39 36.677 14.937 11.477 1.00 1.00 O ATOM 566 CB PHE A 39 38.895 15.296 8.949 1.00 1.00 C ATOM 567 CG PHE A 39 39.987 14.799 9.864 1.00 1.00 C ATOM 568 CD1 PHE A 39 40.594 13.561 9.621 1.00 1.00 C ATOM 569 CD2 PHE A 39 40.395 15.576 10.955 1.00 1.00 C ATOM 570 CE1 PHE A 39 41.607 13.099 10.470 1.00 1.00 C ATOM 571 CE2 PHE A 39 41.408 15.115 11.803 1.00 1.00 C ATOM 572 CZ PHE A 39 42.014 13.876 11.561 1.00 1.00 C ATOM 0 H PHE A 39 37.166 14.878 7.246 1.00 1.00 H new ATOM 0 HA PHE A 39 37.802 13.590 9.680 1.00 1.00 H new ATOM 0 HB2 PHE A 39 39.167 15.114 7.909 1.00 1.00 H new ATOM 0 HB3 PHE A 39 38.773 16.373 9.063 1.00 1.00 H new ATOM 0 HD1 PHE A 39 40.281 12.962 8.779 1.00 1.00 H new ATOM 0 HD2 PHE A 39 39.928 16.532 11.142 1.00 1.00 H new ATOM 0 HE1 PHE A 39 42.074 12.143 10.283 1.00 1.00 H new ATOM 0 HE2 PHE A 39 41.723 15.715 12.644 1.00 1.00 H new ATOM 0 HZ PHE A 39 42.795 13.520 12.216 1.00 1.00 H new ATOM 582 N LEU A 40 36.334 16.551 9.946 1.00 1.00 N ATOM 583 CA LEU A 40 35.586 17.400 10.866 1.00 1.00 C ATOM 584 C LEU A 40 34.260 16.747 11.241 1.00 1.00 C ATOM 585 O LEU A 40 33.530 17.250 12.096 1.00 1.00 O ATOM 586 CB LEU A 40 35.323 18.762 10.222 1.00 1.00 C ATOM 587 CG LEU A 40 36.622 19.303 9.621 1.00 1.00 C ATOM 588 CD1 LEU A 40 36.360 20.668 8.981 1.00 1.00 C ATOM 589 CD2 LEU A 40 37.670 19.453 10.726 1.00 1.00 C ATOM 0 H LEU A 40 36.443 16.934 9.007 1.00 1.00 H new ATOM 0 HA LEU A 40 36.179 17.534 11.771 1.00 1.00 H new ATOM 0 HB2 LEU A 40 34.563 18.669 9.447 1.00 1.00 H new ATOM 0 HB3 LEU A 40 34.936 19.459 10.966 1.00 1.00 H new ATOM 0 HG LEU A 40 36.987 18.610 8.863 1.00 1.00 H new ATOM 0 HD11 LEU A 40 37.286 21.053 8.553 1.00 1.00 H new ATOM 0 HD12 LEU A 40 35.613 20.564 8.195 1.00 1.00 H new ATOM 0 HD13 LEU A 40 35.995 21.361 9.739 1.00 1.00 H new ATOM 0 HD21 LEU A 40 38.596 19.838 10.299 1.00 1.00 H new ATOM 0 HD22 LEU A 40 37.304 20.146 11.483 1.00 1.00 H new ATOM 0 HD23 LEU A 40 37.858 18.482 11.183 1.00 1.00 H new ATOM 601 N LEU A 41 33.956 15.625 10.597 1.00 1.00 N ATOM 602 CA LEU A 41 32.713 14.911 10.871 1.00 1.00 C ATOM 603 C LEU A 41 32.966 13.408 10.955 1.00 1.00 C ATOM 604 O LEU A 41 32.070 12.604 10.702 1.00 1.00 O ATOM 605 CB LEU A 41 31.692 15.198 9.769 1.00 1.00 C ATOM 606 CG LEU A 41 31.082 16.584 9.987 1.00 1.00 C ATOM 607 CD1 LEU A 41 30.728 17.204 8.634 1.00 1.00 C ATOM 608 CD2 LEU A 41 29.815 16.454 10.834 1.00 1.00 C ATOM 0 H LEU A 41 34.547 15.193 9.887 1.00 1.00 H new ATOM 0 HA LEU A 41 32.321 15.256 11.828 1.00 1.00 H new ATOM 0 HB2 LEU A 41 32.173 15.150 8.792 1.00 1.00 H new ATOM 0 HB3 LEU A 41 30.910 14.439 9.777 1.00 1.00 H new ATOM 0 HG LEU A 41 31.801 17.221 10.502 1.00 1.00 H new ATOM 0 HD11 LEU A 41 30.293 18.192 8.789 1.00 1.00 H new ATOM 0 HD12 LEU A 41 31.630 17.295 8.029 1.00 1.00 H new ATOM 0 HD13 LEU A 41 30.008 16.567 8.119 1.00 1.00 H new ATOM 0 HD21 LEU A 41 29.379 17.441 10.990 1.00 1.00 H new ATOM 0 HD22 LEU A 41 29.096 15.817 10.318 1.00 1.00 H new ATOM 0 HD23 LEU A 41 30.066 16.011 11.798 1.00 1.00 H new ATOM 620 N GLY A 42 34.192 13.039 11.310 1.00 1.00 N ATOM 621 CA GLY A 42 34.552 11.631 11.425 1.00 1.00 C ATOM 622 C GLY A 42 35.448 11.395 12.634 1.00 1.00 C ATOM 623 O GLY A 42 35.947 10.288 12.843 1.00 1.00 O ATOM 0 H GLY A 42 34.948 13.690 11.522 1.00 1.00 H new ATOM 0 HA2 GLY A 42 33.649 11.027 11.513 1.00 1.00 H new ATOM 0 HA3 GLY A 42 35.065 11.308 10.519 1.00 1.00 H new ATOM 627 N THR A 43 35.651 12.441 13.428 1.00 1.00 N ATOM 628 CA THR A 43 36.490 12.336 14.616 1.00 1.00 C ATOM 629 C THR A 43 36.269 13.532 15.536 1.00 1.00 C ATOM 630 O THR A 43 36.294 13.400 16.759 1.00 1.00 O ATOM 631 CB THR A 43 37.964 12.268 14.209 1.00 1.00 C ATOM 632 OG1 THR A 43 38.286 10.939 13.820 1.00 1.00 O ATOM 633 CG2 THR A 43 38.841 12.682 15.392 1.00 1.00 C ATOM 0 H THR A 43 35.249 13.365 13.272 1.00 1.00 H new ATOM 0 HA THR A 43 36.218 11.426 15.151 1.00 1.00 H new ATOM 0 HB THR A 43 38.142 12.945 13.373 1.00 1.00 H new ATOM 0 HG1 THR A 43 37.461 10.423 13.706 1.00 1.00 H new ATOM 0 HG21 THR A 43 39.890 12.633 15.102 1.00 1.00 H new ATOM 0 HG22 THR A 43 38.594 13.701 15.689 1.00 1.00 H new ATOM 0 HG23 THR A 43 38.665 12.007 16.229 1.00 1.00 H new ATOM 641 N THR A 44 36.052 14.699 14.938 1.00 1.00 N ATOM 642 CA THR A 44 35.827 15.913 15.713 1.00 1.00 C ATOM 643 C THR A 44 34.438 15.898 16.343 1.00 1.00 C ATOM 644 O THR A 44 34.204 16.535 17.370 1.00 1.00 O ATOM 645 CB THR A 44 35.968 17.143 14.812 1.00 1.00 C ATOM 646 OG1 THR A 44 37.326 17.285 14.418 1.00 1.00 O ATOM 647 CG2 THR A 44 35.522 18.390 15.574 1.00 1.00 C ATOM 0 H THR A 44 36.027 14.829 13.927 1.00 1.00 H new ATOM 0 HA THR A 44 36.573 15.957 16.507 1.00 1.00 H new ATOM 0 HB THR A 44 35.344 17.020 13.927 1.00 1.00 H new ATOM 0 HG1 THR A 44 37.418 18.071 13.840 1.00 1.00 H new ATOM 0 HG21 THR A 44 35.623 19.265 14.931 1.00 1.00 H new ATOM 0 HG22 THR A 44 34.480 18.279 15.875 1.00 1.00 H new ATOM 0 HG23 THR A 44 36.144 18.517 16.460 1.00 1.00 H new ATOM 655 N GLY A 45 33.520 15.165 15.720 1.00 1.00 N ATOM 656 CA GLY A 45 32.157 15.073 16.230 1.00 1.00 C ATOM 657 C GLY A 45 32.150 14.942 17.747 1.00 1.00 C ATOM 658 O GLY A 45 31.586 15.781 18.450 1.00 1.00 O ATOM 0 H GLY A 45 33.693 14.631 14.869 1.00 1.00 H new ATOM 0 HA2 GLY A 45 31.594 15.959 15.935 1.00 1.00 H new ATOM 0 HA3 GLY A 45 31.655 14.214 15.785 1.00 1.00 H new ATOM 662 N ASN A 46 32.781 13.884 18.245 1.00 1.00 N ATOM 663 CA ASN A 46 32.843 13.645 19.682 1.00 1.00 C ATOM 664 C ASN A 46 34.232 13.970 20.221 1.00 1.00 C ATOM 665 O ASN A 46 34.953 13.085 20.683 1.00 1.00 O ATOM 666 CB ASN A 46 32.503 12.183 19.978 1.00 1.00 C ATOM 667 CG ASN A 46 33.573 11.270 19.389 1.00 1.00 C ATOM 668 OD1 ASN A 46 33.590 11.045 18.103 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 34.416 10.748 20.119 1.00 1.00 N flip ATOM 0 H ASN A 46 33.255 13.181 17.678 1.00 1.00 H new ATOM 0 HA ASN A 46 32.118 14.294 20.174 1.00 1.00 H new ATOM 0 HB2 ASN A 46 32.433 12.028 21.055 1.00 1.00 H new ATOM 0 HB3 ASN A 46 31.529 11.935 19.556 1.00 1.00 H new ATOM 0 HD21 ASN A 46 34.401 10.925 21.123 1.00 1.00 H new ATOM 0 HD22 ASN A 46 35.130 10.138 19.719 1.00 1.00 H new ATOM 676 N GLY A 47 34.602 15.244 20.159 1.00 1.00 N ATOM 677 CA GLY A 47 35.910 15.674 20.644 1.00 1.00 C ATOM 678 C GLY A 47 35.815 17.022 21.350 1.00 1.00 C ATOM 679 O GLY A 47 36.515 17.269 22.332 1.00 1.00 O ATOM 0 H GLY A 47 34.021 15.992 19.781 1.00 1.00 H new ATOM 0 HA2 GLY A 47 36.311 14.928 21.330 1.00 1.00 H new ATOM 0 HA3 GLY A 47 36.606 15.745 19.808 1.00 1.00 H new ATOM 683 N LEU A 48 34.948 17.893 20.843 1.00 1.00 N ATOM 684 CA LEU A 48 34.773 19.214 21.436 1.00 1.00 C ATOM 685 C LEU A 48 33.522 19.254 22.304 1.00 1.00 C ATOM 686 O LEU A 48 33.379 20.117 23.169 1.00 1.00 O ATOM 687 CB LEU A 48 34.669 20.272 20.334 1.00 1.00 C ATOM 688 CG LEU A 48 33.343 20.118 19.583 1.00 1.00 C ATOM 689 CD1 LEU A 48 32.366 21.206 20.039 1.00 1.00 C ATOM 690 CD2 LEU A 48 33.594 20.262 18.080 1.00 1.00 C ATOM 0 H LEU A 48 34.360 17.710 20.030 1.00 1.00 H new ATOM 0 HA LEU A 48 35.639 19.426 22.063 1.00 1.00 H new ATOM 0 HB2 LEU A 48 34.737 21.269 20.769 1.00 1.00 H new ATOM 0 HB3 LEU A 48 35.503 20.169 19.640 1.00 1.00 H new ATOM 0 HG LEU A 48 32.918 19.137 19.793 1.00 1.00 H new ATOM 0 HD11 LEU A 48 31.423 21.096 19.504 1.00 1.00 H new ATOM 0 HD12 LEU A 48 32.189 21.110 21.110 1.00 1.00 H new ATOM 0 HD13 LEU A 48 32.790 22.188 19.828 1.00 1.00 H new ATOM 0 HD21 LEU A 48 32.652 20.153 17.542 1.00 1.00 H new ATOM 0 HD22 LEU A 48 34.018 21.245 17.874 1.00 1.00 H new ATOM 0 HD23 LEU A 48 34.291 19.491 17.752 1.00 1.00 H new ATOM 702 N VAL A 49 32.617 18.315 22.065 1.00 1.00 N ATOM 703 CA VAL A 49 31.375 18.249 22.825 1.00 1.00 C ATOM 704 C VAL A 49 31.650 18.334 24.325 1.00 1.00 C ATOM 705 O VAL A 49 30.727 18.492 25.124 1.00 1.00 O ATOM 706 CB VAL A 49 30.646 16.945 22.507 1.00 1.00 C ATOM 707 CG1 VAL A 49 30.313 16.902 21.015 1.00 1.00 C ATOM 708 CG2 VAL A 49 31.547 15.760 22.862 1.00 1.00 C ATOM 0 H VAL A 49 32.718 17.591 21.354 1.00 1.00 H new ATOM 0 HA VAL A 49 30.751 19.096 22.541 1.00 1.00 H new ATOM 0 HB VAL A 49 29.725 16.889 23.088 1.00 1.00 H new ATOM 0 HG11 VAL A 49 29.793 15.972 20.785 1.00 1.00 H new ATOM 0 HG12 VAL A 49 29.675 17.748 20.760 1.00 1.00 H new ATOM 0 HG13 VAL A 49 31.234 16.955 20.435 1.00 1.00 H new ATOM 0 HG21 VAL A 49 31.029 14.828 22.636 1.00 1.00 H new ATOM 0 HG22 VAL A 49 32.466 15.815 22.279 1.00 1.00 H new ATOM 0 HG23 VAL A 49 31.789 15.792 23.924 1.00 1.00 H new ATOM 718 N LEU A 50 32.920 18.228 24.699 1.00 1.00 N ATOM 719 CA LEU A 50 33.299 18.296 26.105 1.00 1.00 C ATOM 720 C LEU A 50 33.562 19.740 26.525 1.00 1.00 C ATOM 721 O LEU A 50 34.019 19.996 27.639 1.00 1.00 O ATOM 722 CB LEU A 50 34.554 17.456 26.349 1.00 1.00 C ATOM 723 CG LEU A 50 34.288 16.007 25.936 1.00 1.00 C ATOM 724 CD1 LEU A 50 35.113 15.670 24.693 1.00 1.00 C ATOM 725 CD2 LEU A 50 34.684 15.071 27.079 1.00 1.00 C ATOM 0 H LEU A 50 33.699 18.096 24.054 1.00 1.00 H new ATOM 0 HA LEU A 50 32.475 17.902 26.701 1.00 1.00 H new ATOM 0 HB2 LEU A 50 35.391 17.860 25.779 1.00 1.00 H new ATOM 0 HB3 LEU A 50 34.834 17.500 27.401 1.00 1.00 H new ATOM 0 HG LEU A 50 33.228 15.882 25.713 1.00 1.00 H new ATOM 0 HD11 LEU A 50 34.923 14.638 24.399 1.00 1.00 H new ATOM 0 HD12 LEU A 50 34.832 16.337 23.878 1.00 1.00 H new ATOM 0 HD13 LEU A 50 36.173 15.795 24.915 1.00 1.00 H new ATOM 0 HD21 LEU A 50 34.495 14.038 26.786 1.00 1.00 H new ATOM 0 HD22 LEU A 50 35.744 15.197 27.302 1.00 1.00 H new ATOM 0 HD23 LEU A 50 34.096 15.310 27.965 1.00 1.00 H new ATOM 737 N TRP A 51 33.268 20.677 25.625 1.00 1.00 N ATOM 738 CA TRP A 51 33.475 22.095 25.909 1.00 1.00 C ATOM 739 C TRP A 51 32.139 22.833 25.946 1.00 1.00 C ATOM 740 O TRP A 51 31.960 23.772 26.723 1.00 1.00 O ATOM 741 CB TRP A 51 34.378 22.716 24.839 1.00 1.00 C ATOM 742 CG TRP A 51 33.915 24.104 24.527 1.00 1.00 C ATOM 743 CD1 TRP A 51 33.808 25.109 25.427 1.00 1.00 C ATOM 744 CD2 TRP A 51 33.495 24.656 23.245 1.00 1.00 C ATOM 745 NE1 TRP A 51 33.351 26.242 24.780 1.00 1.00 N ATOM 746 CE2 TRP A 51 33.143 26.013 23.434 1.00 1.00 C ATOM 747 CE3 TRP A 51 33.387 24.116 21.951 1.00 1.00 C ATOM 748 CZ2 TRP A 51 32.699 26.807 22.375 1.00 1.00 C ATOM 749 CZ3 TRP A 51 32.941 24.913 20.883 1.00 1.00 C ATOM 750 CH2 TRP A 51 32.598 26.255 21.096 1.00 1.00 C ATOM 0 H TRP A 51 32.888 20.481 24.699 1.00 1.00 H new ATOM 0 HA TRP A 51 33.954 22.187 26.884 1.00 1.00 H new ATOM 0 HB2 TRP A 51 35.410 22.737 25.189 1.00 1.00 H new ATOM 0 HB3 TRP A 51 34.360 22.105 23.936 1.00 1.00 H new ATOM 0 HD1 TRP A 51 34.042 25.038 26.479 1.00 1.00 H new ATOM 0 HE1 TRP A 51 33.187 27.137 25.240 1.00 1.00 H new ATOM 0 HE3 TRP A 51 33.648 23.083 21.777 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 32.436 27.841 22.544 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 32.862 24.489 19.893 1.00 1.00 H new ATOM 0 HH2 TRP A 51 32.256 26.862 20.271 1.00 1.00 H new ATOM 761 N THR A 52 31.205 22.403 25.105 1.00 1.00 N ATOM 762 CA THR A 52 29.889 23.032 25.056 1.00 1.00 C ATOM 763 C THR A 52 28.999 22.499 26.174 1.00 1.00 C ATOM 764 O THR A 52 28.273 23.257 26.817 1.00 1.00 O ATOM 765 CB THR A 52 29.226 22.759 23.704 1.00 1.00 C ATOM 766 OG1 THR A 52 28.328 21.665 23.832 1.00 1.00 O ATOM 767 CG2 THR A 52 30.297 22.422 22.667 1.00 1.00 C ATOM 0 H THR A 52 31.332 21.629 24.453 1.00 1.00 H new ATOM 0 HA THR A 52 30.018 24.106 25.187 1.00 1.00 H new ATOM 0 HB THR A 52 28.678 23.645 23.382 1.00 1.00 H new ATOM 0 HG1 THR A 52 27.901 21.489 22.968 1.00 1.00 H new ATOM 0 HG21 THR A 52 29.823 22.228 21.705 1.00 1.00 H new ATOM 0 HG22 THR A 52 30.986 23.261 22.570 1.00 1.00 H new ATOM 0 HG23 THR A 52 30.847 21.536 22.986 1.00 1.00 H new ATOM 775 N VAL A 53 29.061 21.191 26.399 1.00 1.00 N ATOM 776 CA VAL A 53 28.255 20.568 27.442 1.00 1.00 C ATOM 777 C VAL A 53 28.538 21.213 28.795 1.00 1.00 C ATOM 778 O VAL A 53 27.747 21.088 29.730 1.00 1.00 O ATOM 779 CB VAL A 53 28.563 19.071 27.512 1.00 1.00 C ATOM 780 CG1 VAL A 53 28.037 18.502 28.832 1.00 1.00 C ATOM 781 CG2 VAL A 53 27.881 18.356 26.344 1.00 1.00 C ATOM 0 H VAL A 53 29.656 20.546 25.878 1.00 1.00 H new ATOM 0 HA VAL A 53 27.202 20.712 27.198 1.00 1.00 H new ATOM 0 HB VAL A 53 29.641 18.919 27.454 1.00 1.00 H new ATOM 0 HG11 VAL A 53 28.257 17.435 28.882 1.00 1.00 H new ATOM 0 HG12 VAL A 53 28.520 19.011 29.666 1.00 1.00 H new ATOM 0 HG13 VAL A 53 26.959 18.654 28.890 1.00 1.00 H new ATOM 0 HG21 VAL A 53 28.100 17.289 26.393 1.00 1.00 H new ATOM 0 HG22 VAL A 53 26.803 18.509 26.403 1.00 1.00 H new ATOM 0 HG23 VAL A 53 28.253 18.760 25.403 1.00 1.00 H new ATOM 791 N PHE A 54 29.669 21.903 28.891 1.00 1.00 N ATOM 792 CA PHE A 54 30.047 22.563 30.136 1.00 1.00 C ATOM 793 C PHE A 54 29.456 23.968 30.197 1.00 1.00 C ATOM 794 O PHE A 54 29.542 24.644 31.223 1.00 1.00 O ATOM 795 CB PHE A 54 31.571 22.643 30.242 1.00 1.00 C ATOM 796 CG PHE A 54 31.978 22.628 31.696 1.00 1.00 C ATOM 797 CD1 PHE A 54 32.075 21.413 32.383 1.00 1.00 C ATOM 798 CD2 PHE A 54 32.257 23.831 32.357 1.00 1.00 C ATOM 799 CE1 PHE A 54 32.453 21.399 33.730 1.00 1.00 C ATOM 800 CE2 PHE A 54 32.635 23.817 33.705 1.00 1.00 C ATOM 801 CZ PHE A 54 32.733 22.600 34.392 1.00 1.00 C ATOM 0 H PHE A 54 30.336 22.020 28.128 1.00 1.00 H new ATOM 0 HA PHE A 54 29.655 21.980 30.969 1.00 1.00 H new ATOM 0 HB2 PHE A 54 32.027 21.803 29.717 1.00 1.00 H new ATOM 0 HB3 PHE A 54 31.932 23.553 29.762 1.00 1.00 H new ATOM 0 HD1 PHE A 54 31.858 20.486 31.873 1.00 1.00 H new ATOM 0 HD2 PHE A 54 32.181 24.769 31.827 1.00 1.00 H new ATOM 0 HE1 PHE A 54 32.529 20.461 34.259 1.00 1.00 H new ATOM 0 HE2 PHE A 54 32.851 24.744 34.215 1.00 1.00 H new ATOM 0 HZ PHE A 54 33.024 22.589 35.432 1.00 1.00 H new ATOM 811 N ARG A 55 28.859 24.403 29.092 1.00 1.00 N ATOM 812 CA ARG A 55 28.258 25.731 29.033 1.00 1.00 C ATOM 813 C ARG A 55 26.756 25.652 29.282 1.00 1.00 C ATOM 814 O ARG A 55 26.160 26.574 29.840 1.00 1.00 O ATOM 815 CB ARG A 55 28.517 26.359 27.662 1.00 1.00 C ATOM 816 CG ARG A 55 30.009 26.664 27.512 1.00 1.00 C ATOM 817 CD ARG A 55 30.308 27.051 26.063 1.00 1.00 C ATOM 818 NE ARG A 55 31.081 28.288 26.021 1.00 1.00 N ATOM 819 CZ ARG A 55 31.133 29.028 24.918 1.00 1.00 C ATOM 820 NH1 ARG A 55 30.487 28.652 23.849 1.00 1.00 N ATOM 821 NH2 ARG A 55 31.832 30.131 24.905 1.00 1.00 N ATOM 0 H ARG A 55 28.779 23.861 28.232 1.00 1.00 H new ATOM 0 HA ARG A 55 28.711 26.349 29.808 1.00 1.00 H new ATOM 0 HB2 ARG A 55 28.193 25.681 26.873 1.00 1.00 H new ATOM 0 HB3 ARG A 55 27.935 27.275 27.554 1.00 1.00 H new ATOM 0 HG2 ARG A 55 30.294 27.475 28.182 1.00 1.00 H new ATOM 0 HG3 ARG A 55 30.599 25.793 27.796 1.00 1.00 H new ATOM 0 HD2 ARG A 55 30.862 26.251 25.572 1.00 1.00 H new ATOM 0 HD3 ARG A 55 29.376 27.177 25.513 1.00 1.00 H new ATOM 0 HE ARG A 55 31.590 28.590 26.852 1.00 1.00 H new ATOM 0 HH11 ARG A 55 29.942 27.790 23.859 1.00 1.00 H new ATOM 0 HH12 ARG A 55 30.527 29.220 23.003 1.00 1.00 H new ATOM 0 HH21 ARG A 55 32.338 30.424 25.741 1.00 1.00 H new ATOM 0 HH22 ARG A 55 31.872 30.699 24.059 1.00 1.00 H new ATOM 835 N LYS A 56 26.147 24.547 28.863 1.00 1.00 N ATOM 836 CA LYS A 56 24.713 24.360 29.046 1.00 1.00 C ATOM 837 C LYS A 56 24.413 23.856 30.455 1.00 1.00 C ATOM 838 O LYS A 56 23.869 24.587 31.282 1.00 1.00 O ATOM 839 CB LYS A 56 24.182 23.359 28.020 1.00 1.00 C ATOM 840 CG LYS A 56 24.813 23.641 26.655 1.00 1.00 C ATOM 841 CD LYS A 56 24.641 25.120 26.308 1.00 1.00 C ATOM 842 CE LYS A 56 24.871 25.324 24.809 1.00 1.00 C ATOM 843 NZ LYS A 56 23.846 24.563 24.041 1.00 1.00 N ATOM 0 H LYS A 56 26.621 23.773 28.398 1.00 1.00 H new ATOM 0 HA LYS A 56 24.219 25.321 28.904 1.00 1.00 H new ATOM 0 HB2 LYS A 56 24.413 22.342 28.336 1.00 1.00 H new ATOM 0 HB3 LYS A 56 23.097 23.433 27.953 1.00 1.00 H new ATOM 0 HG2 LYS A 56 25.871 23.381 26.671 1.00 1.00 H new ATOM 0 HG3 LYS A 56 24.344 23.021 25.891 1.00 1.00 H new ATOM 0 HD2 LYS A 56 23.640 25.454 26.582 1.00 1.00 H new ATOM 0 HD3 LYS A 56 25.346 25.723 26.880 1.00 1.00 H new ATOM 0 HE2 LYS A 56 24.813 26.384 24.562 1.00 1.00 H new ATOM 0 HE3 LYS A 56 25.871 24.987 24.534 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 23.690 25.022 23.121 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 24.177 23.589 23.891 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 22.954 24.546 24.575 1.00 1.00 H new