USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 527 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 12 THR OG1 : rot 180:sc= 0.0697 USER MOD Single : A 15 CYS SG : rot 35:sc= 0.0282 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.255 X(o=-0.25,f=-0.46) USER MOD Single : A 24 ASN : amide:sc= 0.155 K(o=0.16,f=-2.7!) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.354 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -104:sc= 0.28 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 141:sc= 0.537 (180deg=-2.85) USER MOD Single : A 36 HIS : no HD1:sc= -0.967 K(o=-0.97,f=-1.7) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 55 SER OG : rot 5:sc= 0.729 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 62 THR OG1 : rot -160:sc= -0.218 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 30:sc= -0.0845 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0859 K(o=-0.086,f=-1.6!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 5.731 15.135 11.297 1.00 0.00 N ATOM 67 CA LEU A 8 6.446 14.951 12.554 1.00 0.00 C ATOM 68 C LEU A 8 6.061 13.630 13.212 1.00 0.00 C ATOM 69 O LEU A 8 4.920 13.181 13.104 1.00 0.00 O ATOM 70 CB LEU A 8 6.153 16.112 13.506 1.00 0.00 C ATOM 71 CG LEU A 8 6.502 17.508 12.990 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.740 18.571 13.766 1.00 0.00 C ATOM 73 CD2 LEU A 8 8.002 17.751 13.082 1.00 0.00 C ATOM 0 HA LEU A 8 7.514 14.929 12.335 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.092 16.093 13.754 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.700 15.942 14.433 1.00 0.00 H new ATOM 0 HG LEU A 8 6.207 17.571 11.943 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.002 19.558 13.384 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.668 18.409 13.649 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.003 18.509 14.822 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.232 18.750 12.710 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.321 17.668 14.121 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.528 17.010 12.481 1.00 0.00 H new ATOM 85 N ARG A 9 7.020 13.013 13.895 1.00 0.00 N ATOM 86 CA ARG A 9 6.781 11.743 14.571 1.00 0.00 C ATOM 87 C ARG A 9 7.377 11.754 15.975 1.00 0.00 C ATOM 88 O ARG A 9 8.276 12.541 16.272 1.00 0.00 O ATOM 89 CB ARG A 9 7.376 10.590 13.761 1.00 0.00 C ATOM 90 CG ARG A 9 6.503 10.147 12.599 1.00 0.00 C ATOM 91 CD ARG A 9 5.171 9.595 13.082 1.00 0.00 C ATOM 92 NE ARG A 9 5.338 8.641 14.175 1.00 0.00 N ATOM 93 CZ ARG A 9 4.350 8.267 14.981 1.00 0.00 C ATOM 94 NH1 ARG A 9 3.132 8.764 14.818 1.00 0.00 N ATOM 95 NH2 ARG A 9 4.581 7.394 15.954 1.00 0.00 N ATOM 0 H ARG A 9 7.970 13.372 13.995 1.00 0.00 H new ATOM 0 HA ARG A 9 5.703 11.601 14.654 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.351 10.892 13.378 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.543 9.740 14.423 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.328 10.991 11.932 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.025 9.385 12.020 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.536 10.417 13.412 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.658 9.109 12.252 1.00 0.00 H new ATOM 0 HE ARG A 9 6.263 8.240 14.328 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.951 9.436 14.072 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.376 8.475 15.438 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.517 7.010 16.083 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.822 7.107 16.573 1.00 0.00 H new ATOM 109 N ARG A 10 6.869 10.877 16.835 1.00 0.00 N ATOM 110 CA ARG A 10 7.350 10.787 18.208 1.00 0.00 C ATOM 111 C ARG A 10 7.795 9.365 18.536 1.00 0.00 C ATOM 112 O ARG A 10 7.184 8.394 18.090 1.00 0.00 O ATOM 113 CB ARG A 10 6.258 11.229 19.184 1.00 0.00 C ATOM 114 CG ARG A 10 5.967 12.720 19.137 1.00 0.00 C ATOM 115 CD ARG A 10 4.889 13.046 18.114 1.00 0.00 C ATOM 116 NE ARG A 10 3.592 12.489 18.490 1.00 0.00 N ATOM 117 CZ ARG A 10 2.491 12.636 17.762 1.00 0.00 C ATOM 118 NH1 ARG A 10 2.530 13.318 16.626 1.00 0.00 N ATOM 119 NH2 ARG A 10 1.348 12.100 18.170 1.00 0.00 N ATOM 0 H ARG A 10 6.124 10.219 16.605 1.00 0.00 H new ATOM 0 HA ARG A 10 8.209 11.451 18.310 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.342 10.681 18.963 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.556 10.957 20.197 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.650 13.061 20.122 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.880 13.262 18.891 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.803 14.128 18.010 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.183 12.655 17.140 1.00 0.00 H new ATOM 0 HE ARG A 10 3.529 11.958 19.359 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.407 13.731 16.309 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.683 13.429 16.069 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.314 11.574 19.044 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.503 12.214 17.610 1.00 0.00 H new ATOM 133 N ALA A 11 8.863 9.250 19.319 1.00 0.00 N ATOM 134 CA ALA A 11 9.389 7.948 19.708 1.00 0.00 C ATOM 135 C ALA A 11 10.361 8.074 20.876 1.00 0.00 C ATOM 136 O ALA A 11 11.076 9.069 20.997 1.00 0.00 O ATOM 137 CB ALA A 11 10.069 7.278 18.523 1.00 0.00 C ATOM 0 H ALA A 11 9.381 10.044 19.696 1.00 0.00 H new ATOM 0 HA ALA A 11 8.553 7.328 20.031 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.457 6.306 18.828 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.347 7.144 17.717 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.890 7.903 18.174 1.00 0.00 H new ATOM 143 N THR A 12 10.382 7.060 21.735 1.00 0.00 N ATOM 144 CA THR A 12 11.265 7.059 22.895 1.00 0.00 C ATOM 145 C THR A 12 12.662 6.577 22.522 1.00 0.00 C ATOM 146 O THR A 12 12.818 5.655 21.721 1.00 0.00 O ATOM 147 CB THR A 12 10.710 6.168 24.022 1.00 0.00 C ATOM 148 OG1 THR A 12 9.999 5.057 23.464 1.00 0.00 O ATOM 149 CG2 THR A 12 9.786 6.961 24.934 1.00 0.00 C ATOM 0 H THR A 12 9.797 6.229 21.649 1.00 0.00 H new ATOM 0 HA THR A 12 11.322 8.088 23.250 1.00 0.00 H new ATOM 0 HB THR A 12 11.550 5.802 24.612 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.651 4.495 24.187 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.407 6.311 25.722 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.338 7.788 25.381 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.951 7.353 24.354 1.00 0.00 H new ATOM 157 N VAL A 13 13.676 7.205 23.108 1.00 0.00 N ATOM 158 CA VAL A 13 15.061 6.839 22.839 1.00 0.00 C ATOM 159 C VAL A 13 15.448 5.566 23.584 1.00 0.00 C ATOM 160 O VAL A 13 15.023 5.346 24.718 1.00 0.00 O ATOM 161 CB VAL A 13 16.029 7.969 23.238 1.00 0.00 C ATOM 162 CG1 VAL A 13 17.469 7.557 22.973 1.00 0.00 C ATOM 163 CG2 VAL A 13 15.686 9.250 22.494 1.00 0.00 C ATOM 0 H VAL A 13 13.564 7.970 23.773 1.00 0.00 H new ATOM 0 HA VAL A 13 15.139 6.666 21.766 1.00 0.00 H new ATOM 0 HB VAL A 13 15.922 8.157 24.306 1.00 0.00 H new ATOM 0 HG11 VAL A 13 18.138 8.368 23.261 1.00 0.00 H new ATOM 0 HG12 VAL A 13 17.706 6.667 23.556 1.00 0.00 H new ATOM 0 HG13 VAL A 13 17.596 7.341 21.912 1.00 0.00 H new ATOM 0 HG21 VAL A 13 16.379 10.038 22.788 1.00 0.00 H new ATOM 0 HG22 VAL A 13 15.764 9.079 21.420 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.668 9.552 22.740 1.00 0.00 H new ATOM 173 N GLU A 14 16.257 4.732 22.939 1.00 0.00 N ATOM 174 CA GLU A 14 16.701 3.480 23.542 1.00 0.00 C ATOM 175 C GLU A 14 17.765 3.736 24.605 1.00 0.00 C ATOM 176 O GLU A 14 17.671 3.235 25.726 1.00 0.00 O ATOM 177 CB GLU A 14 17.251 2.539 22.469 1.00 0.00 C ATOM 178 CG GLU A 14 17.491 1.123 22.966 1.00 0.00 C ATOM 179 CD GLU A 14 16.258 0.248 22.851 1.00 0.00 C ATOM 180 OE1 GLU A 14 15.378 0.344 23.731 1.00 0.00 O ATOM 181 OE2 GLU A 14 16.175 -0.534 21.881 1.00 0.00 O ATOM 0 H GLU A 14 16.618 4.900 22.000 1.00 0.00 H new ATOM 0 HA GLU A 14 15.841 3.011 24.020 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.553 2.508 21.632 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.188 2.945 22.087 1.00 0.00 H new ATOM 0 HG2 GLU A 14 18.305 0.675 22.396 1.00 0.00 H new ATOM 0 HG3 GLU A 14 17.812 1.157 24.007 1.00 0.00 H new ATOM 188 N CYS A 15 18.777 4.517 24.244 1.00 0.00 N ATOM 189 CA CYS A 15 19.861 4.839 25.166 1.00 0.00 C ATOM 190 C CYS A 15 20.774 5.910 24.578 1.00 0.00 C ATOM 191 O CYS A 15 21.229 5.797 23.439 1.00 0.00 O ATOM 192 CB CYS A 15 20.671 3.583 25.491 1.00 0.00 C ATOM 193 SG CYS A 15 21.302 2.714 24.036 1.00 0.00 S ATOM 0 H CYS A 15 18.870 4.939 23.320 1.00 0.00 H new ATOM 0 HA CYS A 15 19.421 5.227 26.085 1.00 0.00 H new ATOM 0 HB2 CYS A 15 21.511 3.860 26.128 1.00 0.00 H new ATOM 0 HB3 CYS A 15 20.046 2.900 26.066 1.00 0.00 H new ATOM 0 HG CYS A 15 21.609 3.578 23.114 1.00 0.00 H new ATOM 199 N VAL A 16 21.038 6.950 25.362 1.00 0.00 N ATOM 200 CA VAL A 16 21.897 8.043 24.920 1.00 0.00 C ATOM 201 C VAL A 16 23.164 8.121 25.763 1.00 0.00 C ATOM 202 O VAL A 16 23.301 8.995 26.620 1.00 0.00 O ATOM 203 CB VAL A 16 21.163 9.395 24.988 1.00 0.00 C ATOM 204 CG1 VAL A 16 22.002 10.491 24.347 1.00 0.00 C ATOM 205 CG2 VAL A 16 19.800 9.296 24.319 1.00 0.00 C ATOM 0 H VAL A 16 20.669 7.059 26.307 1.00 0.00 H new ATOM 0 HA VAL A 16 22.166 7.836 23.884 1.00 0.00 H new ATOM 0 HB VAL A 16 21.010 9.653 26.036 1.00 0.00 H new ATOM 0 HG11 VAL A 16 21.467 11.439 24.404 1.00 0.00 H new ATOM 0 HG12 VAL A 16 22.952 10.578 24.875 1.00 0.00 H new ATOM 0 HG13 VAL A 16 22.189 10.242 23.302 1.00 0.00 H new ATOM 0 HG21 VAL A 16 19.296 10.261 24.377 1.00 0.00 H new ATOM 0 HG22 VAL A 16 19.927 9.015 23.274 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.199 8.542 24.827 1.00 0.00 H new ATOM 215 N LYS A 17 24.092 7.203 25.514 1.00 0.00 N ATOM 216 CA LYS A 17 25.351 7.167 26.248 1.00 0.00 C ATOM 217 C LYS A 17 26.432 7.951 25.512 1.00 0.00 C ATOM 218 O LYS A 17 27.094 8.812 26.093 1.00 0.00 O ATOM 219 CB LYS A 17 25.805 5.721 26.453 1.00 0.00 C ATOM 220 CG LYS A 17 27.094 5.594 27.247 1.00 0.00 C ATOM 221 CD LYS A 17 26.832 5.615 28.743 1.00 0.00 C ATOM 222 CE LYS A 17 27.943 4.917 29.513 1.00 0.00 C ATOM 223 NZ LYS A 17 27.621 4.794 30.962 1.00 0.00 N ATOM 0 H LYS A 17 23.995 6.473 24.808 1.00 0.00 H new ATOM 0 HA LYS A 17 25.189 7.631 27.221 1.00 0.00 H new ATOM 0 HB2 LYS A 17 25.016 5.171 26.966 1.00 0.00 H new ATOM 0 HB3 LYS A 17 25.940 5.250 25.479 1.00 0.00 H new ATOM 0 HG2 LYS A 17 27.598 4.666 26.978 1.00 0.00 H new ATOM 0 HG3 LYS A 17 27.767 6.410 26.983 1.00 0.00 H new ATOM 0 HD2 LYS A 17 26.744 6.647 29.084 1.00 0.00 H new ATOM 0 HD3 LYS A 17 25.880 5.128 28.954 1.00 0.00 H new ATOM 0 HE2 LYS A 17 28.109 3.925 29.092 1.00 0.00 H new ATOM 0 HE3 LYS A 17 28.873 5.473 29.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 28.402 4.313 31.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 27.488 5.741 31.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 26.748 4.241 31.078 1.00 0.00 H new ATOM 237 N ASP A 18 26.606 7.650 24.230 1.00 0.00 N ATOM 238 CA ASP A 18 27.605 8.328 23.413 1.00 0.00 C ATOM 239 C ASP A 18 26.985 9.500 22.657 1.00 0.00 C ATOM 240 O ASP A 18 25.768 9.682 22.667 1.00 0.00 O ATOM 241 CB ASP A 18 28.240 7.347 22.426 1.00 0.00 C ATOM 242 CG ASP A 18 28.862 6.151 23.118 1.00 0.00 C ATOM 243 OD1 ASP A 18 29.319 6.304 24.270 1.00 0.00 O ATOM 244 OD2 ASP A 18 28.894 5.062 22.508 1.00 0.00 O ATOM 0 H ASP A 18 26.067 6.940 23.734 1.00 0.00 H new ATOM 0 HA ASP A 18 28.378 8.715 24.076 1.00 0.00 H new ATOM 0 HB2 ASP A 18 27.482 7.002 21.722 1.00 0.00 H new ATOM 0 HB3 ASP A 18 29.003 7.864 21.844 1.00 0.00 H new ATOM 249 N GLN A 19 27.831 10.291 22.006 1.00 0.00 N ATOM 250 CA GLN A 19 27.366 11.446 21.247 1.00 0.00 C ATOM 251 C GLN A 19 26.261 11.048 20.273 1.00 0.00 C ATOM 252 O GLN A 19 25.381 11.849 19.956 1.00 0.00 O ATOM 253 CB GLN A 19 28.529 12.084 20.485 1.00 0.00 C ATOM 254 CG GLN A 19 29.297 13.114 21.297 1.00 0.00 C ATOM 255 CD GLN A 19 29.650 12.617 22.685 1.00 0.00 C ATOM 256 OE1 GLN A 19 30.455 11.698 22.842 1.00 0.00 O ATOM 257 NE2 GLN A 19 29.048 13.222 23.702 1.00 0.00 N ATOM 0 H GLN A 19 28.842 10.154 21.989 1.00 0.00 H new ATOM 0 HA GLN A 19 26.960 12.173 21.951 1.00 0.00 H new ATOM 0 HB2 GLN A 19 29.216 11.301 20.165 1.00 0.00 H new ATOM 0 HB3 GLN A 19 28.144 12.559 19.582 1.00 0.00 H new ATOM 0 HG2 GLN A 19 30.211 13.381 20.767 1.00 0.00 H new ATOM 0 HG3 GLN A 19 28.701 14.023 21.381 1.00 0.00 H new ATOM 0 HE21 GLN A 19 28.388 13.979 23.526 1.00 0.00 H new ATOM 0 HE22 GLN A 19 29.246 12.930 24.659 1.00 0.00 H new ATOM 266 N PHE A 20 26.314 9.807 19.801 1.00 0.00 N ATOM 267 CA PHE A 20 25.318 9.304 18.862 1.00 0.00 C ATOM 268 C PHE A 20 24.480 8.198 19.499 1.00 0.00 C ATOM 269 O PHE A 20 25.015 7.268 20.101 1.00 0.00 O ATOM 270 CB PHE A 20 26.000 8.778 17.597 1.00 0.00 C ATOM 271 CG PHE A 20 26.992 7.682 17.862 1.00 0.00 C ATOM 272 CD1 PHE A 20 28.316 7.981 18.139 1.00 0.00 C ATOM 273 CD2 PHE A 20 26.600 6.353 17.834 1.00 0.00 C ATOM 274 CE1 PHE A 20 29.231 6.974 18.382 1.00 0.00 C ATOM 275 CE2 PHE A 20 27.511 5.342 18.076 1.00 0.00 C ATOM 276 CZ PHE A 20 28.828 5.653 18.352 1.00 0.00 C ATOM 0 H PHE A 20 27.035 9.131 20.053 1.00 0.00 H new ATOM 0 HA PHE A 20 24.657 10.128 18.595 1.00 0.00 H new ATOM 0 HB2 PHE A 20 25.238 8.409 16.910 1.00 0.00 H new ATOM 0 HB3 PHE A 20 26.507 9.603 17.098 1.00 0.00 H new ATOM 0 HD1 PHE A 20 28.637 9.012 18.165 1.00 0.00 H new ATOM 0 HD2 PHE A 20 25.571 6.104 17.621 1.00 0.00 H new ATOM 0 HE1 PHE A 20 30.261 7.220 18.595 1.00 0.00 H new ATOM 0 HE2 PHE A 20 27.193 4.310 18.049 1.00 0.00 H new ATOM 0 HZ PHE A 20 29.541 4.865 18.544 1.00 0.00 H new ATOM 286 N GLY A 21 23.163 8.308 19.360 1.00 0.00 N ATOM 287 CA GLY A 21 22.271 7.313 19.927 1.00 0.00 C ATOM 288 C GLY A 21 21.267 6.793 18.918 1.00 0.00 C ATOM 289 O GLY A 21 21.289 7.184 17.751 1.00 0.00 O ATOM 0 H GLY A 21 22.697 9.068 18.865 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.859 6.480 20.312 1.00 0.00 H new ATOM 0 HA3 GLY A 21 21.739 7.747 20.774 1.00 0.00 H new ATOM 293 N PHE A 22 20.383 5.908 19.367 1.00 0.00 N ATOM 294 CA PHE A 22 19.367 5.331 18.495 1.00 0.00 C ATOM 295 C PHE A 22 17.975 5.495 19.098 1.00 0.00 C ATOM 296 O PHE A 22 17.810 5.477 20.318 1.00 0.00 O ATOM 297 CB PHE A 22 19.657 3.849 18.249 1.00 0.00 C ATOM 298 CG PHE A 22 20.963 3.601 17.550 1.00 0.00 C ATOM 299 CD1 PHE A 22 21.030 3.578 16.166 1.00 0.00 C ATOM 300 CD2 PHE A 22 22.124 3.392 18.277 1.00 0.00 C ATOM 301 CE1 PHE A 22 22.231 3.351 15.520 1.00 0.00 C ATOM 302 CE2 PHE A 22 23.328 3.165 17.636 1.00 0.00 C ATOM 303 CZ PHE A 22 23.381 3.143 16.256 1.00 0.00 C ATOM 0 H PHE A 22 20.350 5.575 20.330 1.00 0.00 H new ATOM 0 HA PHE A 22 19.397 5.863 17.544 1.00 0.00 H new ATOM 0 HB2 PHE A 22 19.660 3.324 19.204 1.00 0.00 H new ATOM 0 HB3 PHE A 22 18.849 3.423 17.654 1.00 0.00 H new ATOM 0 HD1 PHE A 22 20.134 3.739 15.585 1.00 0.00 H new ATOM 0 HD2 PHE A 22 22.088 3.407 19.356 1.00 0.00 H new ATOM 0 HE1 PHE A 22 22.270 3.336 14.441 1.00 0.00 H new ATOM 0 HE2 PHE A 22 24.226 3.005 18.214 1.00 0.00 H new ATOM 0 HZ PHE A 22 24.320 2.963 15.753 1.00 0.00 H new ATOM 313 N ILE A 23 16.978 5.656 18.234 1.00 0.00 N ATOM 314 CA ILE A 23 15.601 5.823 18.681 1.00 0.00 C ATOM 315 C ILE A 23 14.754 4.607 18.320 1.00 0.00 C ATOM 316 O ILE A 23 14.941 3.999 17.267 1.00 0.00 O ATOM 317 CB ILE A 23 14.959 7.082 18.068 1.00 0.00 C ATOM 318 CG1 ILE A 23 15.773 8.325 18.432 1.00 0.00 C ATOM 319 CG2 ILE A 23 13.520 7.227 18.541 1.00 0.00 C ATOM 320 CD1 ILE A 23 15.367 9.561 17.660 1.00 0.00 C ATOM 0 H ILE A 23 17.098 5.674 17.221 1.00 0.00 H new ATOM 0 HA ILE A 23 15.632 5.932 19.765 1.00 0.00 H new ATOM 0 HB ILE A 23 14.955 6.978 16.983 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.664 8.521 19.499 1.00 0.00 H new ATOM 0 HG13 ILE A 23 16.829 8.124 18.251 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.080 8.121 18.099 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.947 6.352 18.236 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.501 7.312 19.628 1.00 0.00 H new ATOM 0 HD11 ILE A 23 15.986 10.403 17.970 1.00 0.00 H new ATOM 0 HD12 ILE A 23 15.502 9.384 16.593 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.320 9.787 17.860 1.00 0.00 H new ATOM 332 N ASN A 24 13.822 4.259 19.201 1.00 0.00 N ATOM 333 CA ASN A 24 12.945 3.116 18.975 1.00 0.00 C ATOM 334 C ASN A 24 11.817 3.478 18.014 1.00 0.00 C ATOM 335 O ASN A 24 10.672 3.666 18.427 1.00 0.00 O ATOM 336 CB ASN A 24 12.363 2.624 20.301 1.00 0.00 C ATOM 337 CG ASN A 24 13.302 1.684 21.032 1.00 0.00 C ATOM 338 OD1 ASN A 24 14.105 0.986 20.412 1.00 0.00 O ATOM 339 ND2 ASN A 24 13.205 1.662 22.356 1.00 0.00 N ATOM 0 H ASN A 24 13.655 4.752 20.078 1.00 0.00 H new ATOM 0 HA ASN A 24 13.537 2.318 18.528 1.00 0.00 H new ATOM 0 HB2 ASN A 24 12.143 3.481 20.938 1.00 0.00 H new ATOM 0 HB3 ASN A 24 11.418 2.115 20.113 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.811 1.049 22.902 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.525 2.258 22.827 1.00 0.00 H new ATOM 346 N TYR A 25 12.148 3.574 16.732 1.00 0.00 N ATOM 347 CA TYR A 25 11.163 3.916 15.712 1.00 0.00 C ATOM 348 C TYR A 25 11.330 3.035 14.477 1.00 0.00 C ATOM 349 O TYR A 25 12.446 2.665 14.112 1.00 0.00 O ATOM 350 CB TYR A 25 11.290 5.389 15.323 1.00 0.00 C ATOM 351 CG TYR A 25 10.254 5.842 14.319 1.00 0.00 C ATOM 352 CD1 TYR A 25 8.913 5.934 14.671 1.00 0.00 C ATOM 353 CD2 TYR A 25 10.615 6.178 13.020 1.00 0.00 C ATOM 354 CE1 TYR A 25 7.962 6.347 13.757 1.00 0.00 C ATOM 355 CE2 TYR A 25 9.671 6.593 12.101 1.00 0.00 C ATOM 356 CZ TYR A 25 8.346 6.676 12.474 1.00 0.00 C ATOM 357 OH TYR A 25 7.403 7.088 11.561 1.00 0.00 O ATOM 0 H TYR A 25 13.090 3.420 16.374 1.00 0.00 H new ATOM 0 HA TYR A 25 10.171 3.742 16.129 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.206 6.002 16.221 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.284 5.563 14.910 1.00 0.00 H new ATOM 0 HD1 TYR A 25 8.609 5.679 15.675 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.652 6.114 12.724 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.923 6.412 14.046 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.969 6.851 11.096 1.00 0.00 H new ATOM 0 HH TYR A 25 7.839 7.282 10.705 1.00 0.00 H new ATOM 367 N GLU A 26 10.212 2.705 13.838 1.00 0.00 N ATOM 368 CA GLU A 26 10.235 1.869 12.644 1.00 0.00 C ATOM 369 C GLU A 26 10.099 2.717 11.382 1.00 0.00 C ATOM 370 O GLU A 26 9.231 3.585 11.295 1.00 0.00 O ATOM 371 CB GLU A 26 9.109 0.833 12.698 1.00 0.00 C ATOM 372 CG GLU A 26 9.188 -0.210 11.596 1.00 0.00 C ATOM 373 CD GLU A 26 8.420 -1.473 11.933 1.00 0.00 C ATOM 374 OE1 GLU A 26 7.786 -1.514 13.007 1.00 0.00 O ATOM 375 OE2 GLU A 26 8.453 -2.421 11.120 1.00 0.00 O ATOM 0 H GLU A 26 9.280 3.003 14.127 1.00 0.00 H new ATOM 0 HA GLU A 26 11.194 1.353 12.612 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.135 0.330 13.665 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.150 1.347 12.632 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.796 0.213 10.671 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.233 -0.462 11.414 1.00 0.00 H new ATOM 382 N VAL A 27 10.965 2.459 10.407 1.00 0.00 N ATOM 383 CA VAL A 27 10.943 3.198 9.150 1.00 0.00 C ATOM 384 C VAL A 27 10.943 2.250 7.956 1.00 0.00 C ATOM 385 O VAL A 27 11.427 2.593 6.878 1.00 0.00 O ATOM 386 CB VAL A 27 12.149 4.149 9.037 1.00 0.00 C ATOM 387 CG1 VAL A 27 12.016 5.301 10.022 1.00 0.00 C ATOM 388 CG2 VAL A 27 13.449 3.391 9.264 1.00 0.00 C ATOM 0 H VAL A 27 11.690 1.744 10.463 1.00 0.00 H new ATOM 0 HA VAL A 27 10.025 3.786 9.144 1.00 0.00 H new ATOM 0 HB VAL A 27 12.168 4.564 8.029 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.877 5.962 9.927 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.105 5.859 9.808 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.970 4.908 11.038 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.291 4.079 9.180 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.442 2.946 10.259 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.547 2.605 8.515 1.00 0.00 H new ATOM 398 N GLY A 28 10.396 1.055 8.156 1.00 0.00 N ATOM 399 CA GLY A 28 10.343 0.075 7.086 1.00 0.00 C ATOM 400 C GLY A 28 11.267 -1.101 7.331 1.00 0.00 C ATOM 401 O GLY A 28 10.904 -2.052 8.023 1.00 0.00 O ATOM 0 H GLY A 28 9.989 0.748 9.039 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.320 -0.287 6.979 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.612 0.554 6.145 1.00 0.00 H new ATOM 405 N ASP A 29 12.465 -1.038 6.760 1.00 0.00 N ATOM 406 CA ASP A 29 13.445 -2.107 6.919 1.00 0.00 C ATOM 407 C ASP A 29 13.847 -2.262 8.382 1.00 0.00 C ATOM 408 O ASP A 29 13.437 -3.211 9.052 1.00 0.00 O ATOM 409 CB ASP A 29 14.682 -1.825 6.065 1.00 0.00 C ATOM 410 CG ASP A 29 15.789 -2.834 6.298 1.00 0.00 C ATOM 411 OD1 ASP A 29 15.576 -4.029 6.003 1.00 0.00 O ATOM 412 OD2 ASP A 29 16.869 -2.429 6.776 1.00 0.00 O ATOM 0 H ASP A 29 12.781 -0.258 6.183 1.00 0.00 H new ATOM 0 HA ASP A 29 12.987 -3.038 6.586 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.402 -1.834 5.012 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.053 -0.825 6.288 1.00 0.00 H new ATOM 417 N SER A 30 14.652 -1.325 8.873 1.00 0.00 N ATOM 418 CA SER A 30 15.114 -1.361 10.255 1.00 0.00 C ATOM 419 C SER A 30 14.054 -0.797 11.196 1.00 0.00 C ATOM 420 O SER A 30 13.195 -0.015 10.787 1.00 0.00 O ATOM 421 CB SER A 30 16.415 -0.570 10.401 1.00 0.00 C ATOM 422 OG SER A 30 17.532 -1.349 10.008 1.00 0.00 O ATOM 0 H SER A 30 14.998 -0.531 8.334 1.00 0.00 H new ATOM 0 HA SER A 30 15.298 -2.401 10.524 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.365 0.333 9.793 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.536 -0.251 11.436 1.00 0.00 H new ATOM 0 HG SER A 30 18.351 -0.821 10.109 1.00 0.00 H new ATOM 428 N LYS A 31 14.121 -1.198 12.461 1.00 0.00 N ATOM 429 CA LYS A 31 13.169 -0.734 13.463 1.00 0.00 C ATOM 430 C LYS A 31 13.830 0.244 14.429 1.00 0.00 C ATOM 431 O LYS A 31 13.415 0.372 15.581 1.00 0.00 O ATOM 432 CB LYS A 31 12.592 -1.921 14.238 1.00 0.00 C ATOM 433 CG LYS A 31 11.491 -2.656 13.493 1.00 0.00 C ATOM 434 CD LYS A 31 10.992 -3.856 14.279 1.00 0.00 C ATOM 435 CE LYS A 31 9.626 -4.313 13.790 1.00 0.00 C ATOM 436 NZ LYS A 31 9.697 -4.916 12.431 1.00 0.00 N ATOM 0 H LYS A 31 14.826 -1.844 12.817 1.00 0.00 H new ATOM 0 HA LYS A 31 12.360 -0.218 12.947 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.396 -2.621 14.465 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.200 -1.566 15.191 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.662 -1.975 13.302 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.863 -2.985 12.523 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.705 -4.675 14.187 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.934 -3.601 15.337 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.215 -5.041 14.489 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.943 -3.464 13.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.332 -4.239 11.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.685 -5.148 12.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.123 -5.783 12.406 1.00 0.00 H new ATOM 450 N LYS A 32 14.861 0.934 13.953 1.00 0.00 N ATOM 451 CA LYS A 32 15.579 1.903 14.772 1.00 0.00 C ATOM 452 C LYS A 32 16.147 3.028 13.913 1.00 0.00 C ATOM 453 O LYS A 32 16.691 2.785 12.835 1.00 0.00 O ATOM 454 CB LYS A 32 16.708 1.214 15.541 1.00 0.00 C ATOM 455 CG LYS A 32 16.224 0.149 16.510 1.00 0.00 C ATOM 456 CD LYS A 32 17.255 -0.133 17.590 1.00 0.00 C ATOM 457 CE LYS A 32 17.077 0.791 18.785 1.00 0.00 C ATOM 458 NZ LYS A 32 17.985 0.426 19.908 1.00 0.00 N ATOM 0 H LYS A 32 15.218 0.840 13.002 1.00 0.00 H new ATOM 0 HA LYS A 32 14.874 2.334 15.483 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.396 0.759 14.829 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.272 1.966 16.093 1.00 0.00 H new ATOM 0 HG2 LYS A 32 15.291 0.473 16.972 1.00 0.00 H new ATOM 0 HG3 LYS A 32 16.007 -0.769 15.964 1.00 0.00 H new ATOM 0 HD2 LYS A 32 17.169 -1.170 17.915 1.00 0.00 H new ATOM 0 HD3 LYS A 32 18.257 -0.009 17.179 1.00 0.00 H new ATOM 0 HE2 LYS A 32 17.271 1.820 18.481 1.00 0.00 H new ATOM 0 HE3 LYS A 32 16.043 0.749 19.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 18.347 1.291 20.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 17.461 -0.135 20.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 18.782 -0.133 19.542 1.00 0.00 H new ATOM 472 N LEU A 33 16.018 4.258 14.397 1.00 0.00 N ATOM 473 CA LEU A 33 16.520 5.422 13.673 1.00 0.00 C ATOM 474 C LEU A 33 17.828 5.918 14.282 1.00 0.00 C ATOM 475 O LEU A 33 18.164 5.581 15.417 1.00 0.00 O ATOM 476 CB LEU A 33 15.480 6.543 13.686 1.00 0.00 C ATOM 477 CG LEU A 33 15.502 7.493 12.488 1.00 0.00 C ATOM 478 CD1 LEU A 33 15.253 6.729 11.197 1.00 0.00 C ATOM 479 CD2 LEU A 33 14.470 8.597 12.664 1.00 0.00 C ATOM 0 H LEU A 33 15.570 4.476 15.287 1.00 0.00 H new ATOM 0 HA LEU A 33 16.710 5.124 12.642 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.490 6.092 13.748 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.620 7.131 14.593 1.00 0.00 H new ATOM 0 HG LEU A 33 16.489 7.952 12.430 1.00 0.00 H new ATOM 0 HD11 LEU A 33 15.272 7.421 10.355 1.00 0.00 H new ATOM 0 HD12 LEU A 33 16.029 5.975 11.065 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.279 6.242 11.244 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.500 9.264 11.802 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.477 8.156 12.748 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.693 9.163 13.568 1.00 0.00 H new ATOM 491 N PHE A 34 18.561 6.724 13.520 1.00 0.00 N ATOM 492 CA PHE A 34 19.831 7.268 13.984 1.00 0.00 C ATOM 493 C PHE A 34 19.766 8.790 14.084 1.00 0.00 C ATOM 494 O PHE A 34 19.109 9.449 13.277 1.00 0.00 O ATOM 495 CB PHE A 34 20.963 6.855 13.041 1.00 0.00 C ATOM 496 CG PHE A 34 22.286 7.478 13.383 1.00 0.00 C ATOM 497 CD1 PHE A 34 23.101 6.914 14.352 1.00 0.00 C ATOM 498 CD2 PHE A 34 22.715 8.625 12.736 1.00 0.00 C ATOM 499 CE1 PHE A 34 24.319 7.486 14.669 1.00 0.00 C ATOM 500 CE2 PHE A 34 23.932 9.201 13.049 1.00 0.00 C ATOM 501 CZ PHE A 34 24.736 8.629 14.017 1.00 0.00 C ATOM 0 H PHE A 34 18.297 7.014 12.579 1.00 0.00 H new ATOM 0 HA PHE A 34 20.030 6.864 14.977 1.00 0.00 H new ATOM 0 HB2 PHE A 34 21.065 5.770 13.062 1.00 0.00 H new ATOM 0 HB3 PHE A 34 20.694 7.130 12.021 1.00 0.00 H new ATOM 0 HD1 PHE A 34 22.781 6.019 14.865 1.00 0.00 H new ATOM 0 HD2 PHE A 34 22.091 9.075 11.978 1.00 0.00 H new ATOM 0 HE1 PHE A 34 24.945 7.038 15.427 1.00 0.00 H new ATOM 0 HE2 PHE A 34 24.254 10.096 12.538 1.00 0.00 H new ATOM 0 HZ PHE A 34 25.688 9.075 14.263 1.00 0.00 H new ATOM 511 N PHE A 35 20.453 9.341 15.079 1.00 0.00 N ATOM 512 CA PHE A 35 20.473 10.785 15.286 1.00 0.00 C ATOM 513 C PHE A 35 21.725 11.207 16.049 1.00 0.00 C ATOM 514 O PHE A 35 22.228 10.469 16.897 1.00 0.00 O ATOM 515 CB PHE A 35 19.223 11.229 16.048 1.00 0.00 C ATOM 516 CG PHE A 35 19.240 10.848 17.501 1.00 0.00 C ATOM 517 CD1 PHE A 35 19.059 9.530 17.887 1.00 0.00 C ATOM 518 CD2 PHE A 35 19.437 11.809 18.480 1.00 0.00 C ATOM 519 CE1 PHE A 35 19.075 9.176 19.224 1.00 0.00 C ATOM 520 CE2 PHE A 35 19.454 11.461 19.818 1.00 0.00 C ATOM 521 CZ PHE A 35 19.271 10.143 20.190 1.00 0.00 C ATOM 0 H PHE A 35 21.003 8.810 15.754 1.00 0.00 H new ATOM 0 HA PHE A 35 20.485 11.268 14.309 1.00 0.00 H new ATOM 0 HB2 PHE A 35 19.122 12.311 15.966 1.00 0.00 H new ATOM 0 HB3 PHE A 35 18.344 10.790 15.576 1.00 0.00 H new ATOM 0 HD1 PHE A 35 18.904 8.770 17.135 1.00 0.00 H new ATOM 0 HD2 PHE A 35 19.579 12.841 18.195 1.00 0.00 H new ATOM 0 HE1 PHE A 35 18.934 8.145 19.512 1.00 0.00 H new ATOM 0 HE2 PHE A 35 19.610 12.219 20.572 1.00 0.00 H new ATOM 0 HZ PHE A 35 19.281 9.870 21.235 1.00 0.00 H new ATOM 531 N HIS A 36 22.225 12.399 15.740 1.00 0.00 N ATOM 532 CA HIS A 36 23.419 12.921 16.396 1.00 0.00 C ATOM 533 C HIS A 36 23.063 14.064 17.342 1.00 0.00 C ATOM 534 O HIS A 36 22.013 14.692 17.206 1.00 0.00 O ATOM 535 CB HIS A 36 24.430 13.402 15.354 1.00 0.00 C ATOM 536 CG HIS A 36 25.810 13.594 15.903 1.00 0.00 C ATOM 537 ND1 HIS A 36 26.412 14.830 16.012 1.00 0.00 N ATOM 538 CD2 HIS A 36 26.707 12.698 16.378 1.00 0.00 C ATOM 539 CE1 HIS A 36 27.619 14.686 16.528 1.00 0.00 C ATOM 540 NE2 HIS A 36 27.823 13.401 16.760 1.00 0.00 N ATOM 0 H HIS A 36 21.822 13.022 15.040 1.00 0.00 H new ATOM 0 HA HIS A 36 23.865 12.115 16.979 1.00 0.00 H new ATOM 0 HB2 HIS A 36 24.470 12.680 14.538 1.00 0.00 H new ATOM 0 HB3 HIS A 36 24.082 14.344 14.930 1.00 0.00 H new ATOM 0 HD2 HIS A 36 26.570 11.629 16.444 1.00 0.00 H new ATOM 0 HE1 HIS A 36 28.320 15.483 16.727 1.00 0.00 H new ATOM 0 HE2 HIS A 36 28.671 12.997 17.158 1.00 0.00 H new ATOM 548 N VAL A 37 23.945 14.329 18.301 1.00 0.00 N ATOM 549 CA VAL A 37 23.724 15.396 19.269 1.00 0.00 C ATOM 550 C VAL A 37 23.416 16.716 18.571 1.00 0.00 C ATOM 551 O VAL A 37 22.707 17.566 19.111 1.00 0.00 O ATOM 552 CB VAL A 37 24.949 15.585 20.184 1.00 0.00 C ATOM 553 CG1 VAL A 37 25.042 14.451 21.193 1.00 0.00 C ATOM 554 CG2 VAL A 37 26.222 15.680 19.358 1.00 0.00 C ATOM 0 H VAL A 37 24.819 13.819 18.428 1.00 0.00 H new ATOM 0 HA VAL A 37 22.868 15.101 19.876 1.00 0.00 H new ATOM 0 HB VAL A 37 24.829 16.519 20.733 1.00 0.00 H new ATOM 0 HG11 VAL A 37 25.913 14.602 21.830 1.00 0.00 H new ATOM 0 HG12 VAL A 37 24.141 14.436 21.807 1.00 0.00 H new ATOM 0 HG13 VAL A 37 25.138 13.502 20.666 1.00 0.00 H new ATOM 0 HG21 VAL A 37 27.077 15.813 20.021 1.00 0.00 H new ATOM 0 HG22 VAL A 37 26.350 14.765 18.780 1.00 0.00 H new ATOM 0 HG23 VAL A 37 26.153 16.530 18.680 1.00 0.00 H new ATOM 564 N LYS A 38 23.954 16.882 17.368 1.00 0.00 N ATOM 565 CA LYS A 38 23.736 18.098 16.593 1.00 0.00 C ATOM 566 C LYS A 38 22.248 18.324 16.343 1.00 0.00 C ATOM 567 O LYS A 38 21.788 19.463 16.276 1.00 0.00 O ATOM 568 CB LYS A 38 24.482 18.018 15.259 1.00 0.00 C ATOM 569 CG LYS A 38 23.849 17.061 14.264 1.00 0.00 C ATOM 570 CD LYS A 38 24.871 16.530 13.273 1.00 0.00 C ATOM 571 CE LYS A 38 24.283 15.431 12.401 1.00 0.00 C ATOM 572 NZ LYS A 38 25.022 15.287 11.116 1.00 0.00 N ATOM 0 H LYS A 38 24.545 16.189 16.908 1.00 0.00 H new ATOM 0 HA LYS A 38 24.122 18.940 17.168 1.00 0.00 H new ATOM 0 HB2 LYS A 38 24.525 19.013 14.816 1.00 0.00 H new ATOM 0 HB3 LYS A 38 25.510 17.707 15.445 1.00 0.00 H new ATOM 0 HG2 LYS A 38 23.393 16.228 14.799 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.050 17.570 13.726 1.00 0.00 H new ATOM 0 HD2 LYS A 38 25.226 17.345 12.643 1.00 0.00 H new ATOM 0 HD3 LYS A 38 25.736 16.144 13.812 1.00 0.00 H new ATOM 0 HE2 LYS A 38 24.308 14.485 12.942 1.00 0.00 H new ATOM 0 HE3 LYS A 38 23.236 15.652 12.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 24.591 14.528 10.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 24.977 16.181 10.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 26.016 15.051 11.312 1.00 0.00 H new ATOM 586 N GLU A 39 21.503 17.232 16.206 1.00 0.00 N ATOM 587 CA GLU A 39 20.067 17.313 15.964 1.00 0.00 C ATOM 588 C GLU A 39 19.365 18.056 17.097 1.00 0.00 C ATOM 589 O GLU A 39 18.849 19.157 16.907 1.00 0.00 O ATOM 590 CB GLU A 39 19.473 15.912 15.813 1.00 0.00 C ATOM 591 CG GLU A 39 19.960 15.174 14.577 1.00 0.00 C ATOM 592 CD GLU A 39 19.011 14.074 14.142 1.00 0.00 C ATOM 593 OE1 GLU A 39 17.862 14.053 14.631 1.00 0.00 O ATOM 594 OE2 GLU A 39 19.418 13.233 13.313 1.00 0.00 O ATOM 0 H GLU A 39 21.869 16.281 16.258 1.00 0.00 H new ATOM 0 HA GLU A 39 19.911 17.867 15.038 1.00 0.00 H new ATOM 0 HB2 GLU A 39 19.720 15.325 16.697 1.00 0.00 H new ATOM 0 HB3 GLU A 39 18.386 15.989 15.775 1.00 0.00 H new ATOM 0 HG2 GLU A 39 20.085 15.885 13.760 1.00 0.00 H new ATOM 0 HG3 GLU A 39 20.941 14.744 14.778 1.00 0.00 H new ATOM 601 N VAL A 40 19.351 17.444 18.277 1.00 0.00 N ATOM 602 CA VAL A 40 18.713 18.047 19.442 1.00 0.00 C ATOM 603 C VAL A 40 19.233 19.459 19.684 1.00 0.00 C ATOM 604 O VAL A 40 20.441 19.695 19.680 1.00 0.00 O ATOM 605 CB VAL A 40 18.946 17.202 20.709 1.00 0.00 C ATOM 606 CG1 VAL A 40 20.434 16.989 20.943 1.00 0.00 C ATOM 607 CG2 VAL A 40 18.297 17.862 21.916 1.00 0.00 C ATOM 0 H VAL A 40 19.774 16.532 18.452 1.00 0.00 H new ATOM 0 HA VAL A 40 17.644 18.088 19.232 1.00 0.00 H new ATOM 0 HB VAL A 40 18.482 16.226 20.564 1.00 0.00 H new ATOM 0 HG11 VAL A 40 20.579 16.390 21.842 1.00 0.00 H new ATOM 0 HG12 VAL A 40 20.866 16.470 20.088 1.00 0.00 H new ATOM 0 HG13 VAL A 40 20.925 17.954 21.067 1.00 0.00 H new ATOM 0 HG21 VAL A 40 18.471 17.252 22.802 1.00 0.00 H new ATOM 0 HG22 VAL A 40 18.729 18.851 22.066 1.00 0.00 H new ATOM 0 HG23 VAL A 40 17.224 17.957 21.746 1.00 0.00 H new ATOM 617 N GLN A 41 18.312 20.394 19.895 1.00 0.00 N ATOM 618 CA GLN A 41 18.678 21.785 20.139 1.00 0.00 C ATOM 619 C GLN A 41 17.913 22.347 21.332 1.00 0.00 C ATOM 620 O GLN A 41 17.202 21.620 22.026 1.00 0.00 O ATOM 621 CB GLN A 41 18.402 22.632 18.896 1.00 0.00 C ATOM 622 CG GLN A 41 18.885 21.992 17.604 1.00 0.00 C ATOM 623 CD GLN A 41 19.181 23.013 16.523 1.00 0.00 C ATOM 624 OE1 GLN A 41 20.096 23.826 16.655 1.00 0.00 O ATOM 625 NE2 GLN A 41 18.407 22.974 15.444 1.00 0.00 N ATOM 0 H GLN A 41 17.308 20.214 19.902 1.00 0.00 H new ATOM 0 HA GLN A 41 19.744 21.820 20.365 1.00 0.00 H new ATOM 0 HB2 GLN A 41 17.330 22.815 18.822 1.00 0.00 H new ATOM 0 HB3 GLN A 41 18.884 23.602 19.013 1.00 0.00 H new ATOM 0 HG2 GLN A 41 19.784 21.410 17.805 1.00 0.00 H new ATOM 0 HG3 GLN A 41 18.129 21.295 17.243 1.00 0.00 H new ATOM 0 HE21 GLN A 41 17.660 22.283 15.377 1.00 0.00 H new ATOM 0 HE22 GLN A 41 18.560 23.635 14.683 1.00 0.00 H new ATOM 634 N ASP A 42 18.065 23.646 21.566 1.00 0.00 N ATOM 635 CA ASP A 42 17.388 24.307 22.676 1.00 0.00 C ATOM 636 C ASP A 42 17.862 23.746 24.013 1.00 0.00 C ATOM 637 O ASP A 42 17.176 23.869 25.028 1.00 0.00 O ATOM 638 CB ASP A 42 15.873 24.143 22.548 1.00 0.00 C ATOM 639 CG ASP A 42 15.112 25.328 23.111 1.00 0.00 C ATOM 640 OD1 ASP A 42 15.157 26.411 22.491 1.00 0.00 O ATOM 641 OD2 ASP A 42 14.472 25.171 24.171 1.00 0.00 O ATOM 0 H ASP A 42 18.651 24.262 21.002 1.00 0.00 H new ATOM 0 HA ASP A 42 17.635 25.368 22.640 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.612 24.013 21.498 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.564 23.236 23.068 1.00 0.00 H new ATOM 646 N GLY A 43 19.039 23.128 24.007 1.00 0.00 N ATOM 647 CA GLY A 43 19.583 22.556 25.224 1.00 0.00 C ATOM 648 C GLY A 43 18.601 21.638 25.924 1.00 0.00 C ATOM 649 O GLY A 43 17.905 22.054 26.851 1.00 0.00 O ATOM 0 H GLY A 43 19.626 23.013 23.180 1.00 0.00 H new ATOM 0 HA2 GLY A 43 20.489 21.999 24.986 1.00 0.00 H new ATOM 0 HA3 GLY A 43 19.871 23.359 25.902 1.00 0.00 H new ATOM 653 N ILE A 44 18.542 20.388 25.478 1.00 0.00 N ATOM 654 CA ILE A 44 17.636 19.409 26.067 1.00 0.00 C ATOM 655 C ILE A 44 18.373 18.122 26.423 1.00 0.00 C ATOM 656 O ILE A 44 19.349 17.754 25.770 1.00 0.00 O ATOM 657 CB ILE A 44 16.472 19.075 25.116 1.00 0.00 C ATOM 658 CG1 ILE A 44 15.820 20.360 24.601 1.00 0.00 C ATOM 659 CG2 ILE A 44 15.447 18.200 25.821 1.00 0.00 C ATOM 660 CD1 ILE A 44 15.148 21.173 25.686 1.00 0.00 C ATOM 0 H ILE A 44 19.110 20.029 24.711 1.00 0.00 H new ATOM 0 HA ILE A 44 17.234 19.858 26.975 1.00 0.00 H new ATOM 0 HB ILE A 44 16.866 18.523 24.263 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.579 20.974 24.116 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.082 20.104 23.840 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.630 17.972 25.136 1.00 0.00 H new ATOM 0 HG22 ILE A 44 15.920 17.272 26.142 1.00 0.00 H new ATOM 0 HG23 ILE A 44 15.055 18.728 26.691 1.00 0.00 H new ATOM 0 HD11 ILE A 44 14.708 22.069 25.249 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.366 20.577 26.156 1.00 0.00 H new ATOM 0 HD13 ILE A 44 15.886 21.460 26.436 1.00 0.00 H new ATOM 672 N GLU A 45 17.898 17.442 27.461 1.00 0.00 N ATOM 673 CA GLU A 45 18.512 16.195 27.902 1.00 0.00 C ATOM 674 C GLU A 45 17.797 14.991 27.293 1.00 0.00 C ATOM 675 O GLU A 45 16.611 14.769 27.540 1.00 0.00 O ATOM 676 CB GLU A 45 18.484 16.099 29.428 1.00 0.00 C ATOM 677 CG GLU A 45 17.087 16.189 30.019 1.00 0.00 C ATOM 678 CD GLU A 45 17.005 17.168 31.175 1.00 0.00 C ATOM 679 OE1 GLU A 45 17.588 18.267 31.065 1.00 0.00 O ATOM 680 OE2 GLU A 45 16.357 16.834 32.189 1.00 0.00 O ATOM 0 H GLU A 45 17.091 17.733 28.012 1.00 0.00 H new ATOM 0 HA GLU A 45 19.548 16.191 27.563 1.00 0.00 H new ATOM 0 HB2 GLU A 45 18.938 15.156 29.732 1.00 0.00 H new ATOM 0 HB3 GLU A 45 19.098 16.897 29.845 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.386 16.492 29.241 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.777 15.202 30.361 1.00 0.00 H new ATOM 687 N LEU A 46 18.527 14.219 26.496 1.00 0.00 N ATOM 688 CA LEU A 46 17.964 13.038 25.850 1.00 0.00 C ATOM 689 C LEU A 46 18.595 11.763 26.401 1.00 0.00 C ATOM 690 O LEU A 46 19.817 11.619 26.411 1.00 0.00 O ATOM 691 CB LEU A 46 18.173 13.111 24.337 1.00 0.00 C ATOM 692 CG LEU A 46 17.682 14.387 23.652 1.00 0.00 C ATOM 693 CD1 LEU A 46 17.837 14.277 22.143 1.00 0.00 C ATOM 694 CD2 LEU A 46 16.233 14.667 24.022 1.00 0.00 C ATOM 0 H LEU A 46 19.510 14.389 26.281 1.00 0.00 H new ATOM 0 HA LEU A 46 16.895 13.014 26.062 1.00 0.00 H new ATOM 0 HB2 LEU A 46 19.238 12.999 24.132 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.669 12.260 23.879 1.00 0.00 H new ATOM 0 HG LEU A 46 18.293 15.221 23.999 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.482 15.194 21.673 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.888 14.125 21.895 1.00 0.00 H new ATOM 0 HD13 LEU A 46 17.252 13.433 21.778 1.00 0.00 H new ATOM 0 HD21 LEU A 46 15.900 15.579 23.526 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.608 13.832 23.704 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.151 14.791 25.102 1.00 0.00 H new ATOM 706 N GLN A 47 17.753 10.841 26.856 1.00 0.00 N ATOM 707 CA GLN A 47 18.230 9.578 27.407 1.00 0.00 C ATOM 708 C GLN A 47 17.222 8.461 27.157 1.00 0.00 C ATOM 709 O GLN A 47 16.191 8.673 26.521 1.00 0.00 O ATOM 710 CB GLN A 47 18.491 9.718 28.908 1.00 0.00 C ATOM 711 CG GLN A 47 19.410 10.877 29.259 1.00 0.00 C ATOM 712 CD GLN A 47 19.608 11.032 30.754 1.00 0.00 C ATOM 713 OE1 GLN A 47 19.608 10.050 31.497 1.00 0.00 O ATOM 714 NE2 GLN A 47 19.780 12.269 31.204 1.00 0.00 N ATOM 0 H GLN A 47 16.738 10.945 26.854 1.00 0.00 H new ATOM 0 HA GLN A 47 19.163 9.321 26.906 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.540 9.850 29.423 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.929 8.792 29.280 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.378 10.725 28.782 1.00 0.00 H new ATOM 0 HG3 GLN A 47 18.996 11.800 28.853 1.00 0.00 H new ATOM 0 HE21 GLN A 47 19.773 13.054 30.553 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.919 12.434 32.201 1.00 0.00 H new ATOM 723 N ALA A 48 17.529 7.270 27.662 1.00 0.00 N ATOM 724 CA ALA A 48 16.650 6.120 27.494 1.00 0.00 C ATOM 725 C ALA A 48 15.288 6.372 28.132 1.00 0.00 C ATOM 726 O ALA A 48 15.193 6.649 29.327 1.00 0.00 O ATOM 727 CB ALA A 48 17.290 4.874 28.089 1.00 0.00 C ATOM 0 H ALA A 48 18.380 7.077 28.191 1.00 0.00 H new ATOM 0 HA ALA A 48 16.499 5.963 26.426 1.00 0.00 H new ATOM 0 HB1 ALA A 48 16.622 4.023 27.956 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.236 4.675 27.585 1.00 0.00 H new ATOM 0 HB3 ALA A 48 17.471 5.030 29.152 1.00 0.00 H new ATOM 733 N GLY A 49 14.234 6.275 27.327 1.00 0.00 N ATOM 734 CA GLY A 49 12.892 6.497 27.831 1.00 0.00 C ATOM 735 C GLY A 49 12.427 7.926 27.632 1.00 0.00 C ATOM 736 O GLY A 49 11.451 8.359 28.246 1.00 0.00 O ATOM 0 H GLY A 49 14.286 6.046 26.334 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.202 5.820 27.328 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.861 6.253 28.893 1.00 0.00 H new ATOM 740 N ASP A 50 13.127 8.661 26.775 1.00 0.00 N ATOM 741 CA ASP A 50 12.780 10.050 26.498 1.00 0.00 C ATOM 742 C ASP A 50 12.053 10.173 25.163 1.00 0.00 C ATOM 743 O ASP A 50 12.640 9.955 24.104 1.00 0.00 O ATOM 744 CB ASP A 50 14.039 10.919 26.489 1.00 0.00 C ATOM 745 CG ASP A 50 14.572 11.180 27.884 1.00 0.00 C ATOM 746 OD1 ASP A 50 14.769 10.203 28.636 1.00 0.00 O ATOM 747 OD2 ASP A 50 14.793 12.362 28.224 1.00 0.00 O ATOM 0 H ASP A 50 13.938 8.318 26.260 1.00 0.00 H new ATOM 0 HA ASP A 50 12.113 10.397 27.287 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.810 10.430 25.894 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.817 11.870 26.004 1.00 0.00 H new ATOM 752 N GLU A 51 10.771 10.521 25.223 1.00 0.00 N ATOM 753 CA GLU A 51 9.964 10.670 24.018 1.00 0.00 C ATOM 754 C GLU A 51 10.230 12.015 23.347 1.00 0.00 C ATOM 755 O GLU A 51 9.802 13.061 23.835 1.00 0.00 O ATOM 756 CB GLU A 51 8.477 10.542 24.355 1.00 0.00 C ATOM 757 CG GLU A 51 7.638 9.998 23.210 1.00 0.00 C ATOM 758 CD GLU A 51 6.237 9.614 23.645 1.00 0.00 C ATOM 759 OE1 GLU A 51 6.077 9.156 24.795 1.00 0.00 O ATOM 760 OE2 GLU A 51 5.301 9.771 22.833 1.00 0.00 O ATOM 0 H GLU A 51 10.270 10.705 26.092 1.00 0.00 H new ATOM 0 HA GLU A 51 10.243 9.876 23.325 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.364 9.888 25.220 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.093 11.521 24.643 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.577 10.748 22.421 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.134 9.126 22.783 1.00 0.00 H new ATOM 767 N VAL A 52 10.942 11.979 22.225 1.00 0.00 N ATOM 768 CA VAL A 52 11.266 13.193 21.486 1.00 0.00 C ATOM 769 C VAL A 52 10.561 13.219 20.134 1.00 0.00 C ATOM 770 O VAL A 52 10.280 12.173 19.551 1.00 0.00 O ATOM 771 CB VAL A 52 12.784 13.326 21.264 1.00 0.00 C ATOM 772 CG1 VAL A 52 13.508 13.473 22.593 1.00 0.00 C ATOM 773 CG2 VAL A 52 13.316 12.131 20.487 1.00 0.00 C ATOM 0 H VAL A 52 11.305 11.122 21.808 1.00 0.00 H new ATOM 0 HA VAL A 52 10.919 14.032 22.089 1.00 0.00 H new ATOM 0 HB VAL A 52 12.969 14.225 20.676 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.579 13.566 22.415 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.147 14.364 23.107 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.317 12.595 23.210 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.390 12.242 20.339 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.119 11.216 21.046 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.820 12.077 19.518 1.00 0.00 H new ATOM 783 N GLU A 53 10.279 14.421 19.643 1.00 0.00 N ATOM 784 CA GLU A 53 9.607 14.582 18.359 1.00 0.00 C ATOM 785 C GLU A 53 10.596 15.000 17.275 1.00 0.00 C ATOM 786 O GLU A 53 11.254 16.035 17.385 1.00 0.00 O ATOM 787 CB GLU A 53 8.488 15.620 18.471 1.00 0.00 C ATOM 788 CG GLU A 53 7.697 15.804 17.187 1.00 0.00 C ATOM 789 CD GLU A 53 6.935 17.114 17.153 1.00 0.00 C ATOM 790 OE1 GLU A 53 7.534 18.140 16.768 1.00 0.00 O ATOM 791 OE2 GLU A 53 5.739 17.114 17.512 1.00 0.00 O ATOM 0 H GLU A 53 10.505 15.297 20.114 1.00 0.00 H new ATOM 0 HA GLU A 53 9.175 13.620 18.081 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.807 15.322 19.268 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.920 16.578 18.762 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.377 15.762 16.337 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.996 14.977 17.075 1.00 0.00 H new ATOM 798 N PHE A 54 10.696 14.187 16.229 1.00 0.00 N ATOM 799 CA PHE A 54 11.606 14.470 15.125 1.00 0.00 C ATOM 800 C PHE A 54 10.870 14.429 13.789 1.00 0.00 C ATOM 801 O PHE A 54 9.786 13.854 13.682 1.00 0.00 O ATOM 802 CB PHE A 54 12.759 13.464 15.116 1.00 0.00 C ATOM 803 CG PHE A 54 12.308 12.035 15.219 1.00 0.00 C ATOM 804 CD1 PHE A 54 11.769 11.384 14.121 1.00 0.00 C ATOM 805 CD2 PHE A 54 12.424 11.343 16.414 1.00 0.00 C ATOM 806 CE1 PHE A 54 11.354 10.068 14.213 1.00 0.00 C ATOM 807 CE2 PHE A 54 12.011 10.027 16.511 1.00 0.00 C ATOM 808 CZ PHE A 54 11.474 9.390 15.410 1.00 0.00 C ATOM 0 H PHE A 54 10.158 13.327 16.122 1.00 0.00 H new ATOM 0 HA PHE A 54 12.009 15.473 15.267 1.00 0.00 H new ATOM 0 HB2 PHE A 54 13.334 13.590 14.198 1.00 0.00 H new ATOM 0 HB3 PHE A 54 13.430 13.685 15.946 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.672 11.910 13.183 1.00 0.00 H new ATOM 0 HD2 PHE A 54 12.842 11.837 17.279 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.937 9.571 13.350 1.00 0.00 H new ATOM 0 HE2 PHE A 54 12.108 9.498 17.447 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.148 8.363 15.485 1.00 0.00 H new ATOM 818 N SER A 55 11.466 15.044 12.772 1.00 0.00 N ATOM 819 CA SER A 55 10.865 15.082 11.444 1.00 0.00 C ATOM 820 C SER A 55 11.536 14.074 10.516 1.00 0.00 C ATOM 821 O SER A 55 12.752 14.105 10.321 1.00 0.00 O ATOM 822 CB SER A 55 10.974 16.489 10.853 1.00 0.00 C ATOM 823 OG SER A 55 12.274 16.729 10.343 1.00 0.00 O ATOM 0 H SER A 55 12.364 15.522 12.842 1.00 0.00 H new ATOM 0 HA SER A 55 9.812 14.816 11.540 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.240 16.610 10.057 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.738 17.228 11.619 1.00 0.00 H new ATOM 0 HG SER A 55 12.809 15.911 10.413 1.00 0.00 H new ATOM 829 N VAL A 56 10.735 13.181 9.944 1.00 0.00 N ATOM 830 CA VAL A 56 11.250 12.164 9.035 1.00 0.00 C ATOM 831 C VAL A 56 11.674 12.779 7.706 1.00 0.00 C ATOM 832 O VAL A 56 10.841 13.267 6.942 1.00 0.00 O ATOM 833 CB VAL A 56 10.201 11.067 8.768 1.00 0.00 C ATOM 834 CG1 VAL A 56 10.810 9.932 7.960 1.00 0.00 C ATOM 835 CG2 VAL A 56 9.626 10.551 10.079 1.00 0.00 C ATOM 0 H VAL A 56 9.727 13.141 10.094 1.00 0.00 H new ATOM 0 HA VAL A 56 12.118 11.717 9.519 1.00 0.00 H new ATOM 0 HB VAL A 56 9.387 11.499 8.186 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.055 9.167 7.781 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.170 10.317 7.006 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.643 9.498 8.513 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.887 9.777 9.872 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.428 10.134 10.689 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.151 11.372 10.616 1.00 0.00 H new ATOM 845 N ILE A 57 12.975 12.752 7.437 1.00 0.00 N ATOM 846 CA ILE A 57 13.511 13.305 6.199 1.00 0.00 C ATOM 847 C ILE A 57 14.143 12.217 5.338 1.00 0.00 C ATOM 848 O ILE A 57 14.998 11.461 5.802 1.00 0.00 O ATOM 849 CB ILE A 57 14.560 14.397 6.479 1.00 0.00 C ATOM 850 CG1 ILE A 57 14.016 15.412 7.486 1.00 0.00 C ATOM 851 CG2 ILE A 57 14.961 15.090 5.185 1.00 0.00 C ATOM 852 CD1 ILE A 57 12.820 16.187 6.978 1.00 0.00 C ATOM 0 H ILE A 57 13.678 12.353 8.060 1.00 0.00 H new ATOM 0 HA ILE A 57 12.672 13.747 5.662 1.00 0.00 H new ATOM 0 HB ILE A 57 15.446 13.928 6.907 1.00 0.00 H new ATOM 0 HG12 ILE A 57 13.738 14.890 8.402 1.00 0.00 H new ATOM 0 HG13 ILE A 57 14.809 16.113 7.747 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.703 15.859 5.399 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.385 14.359 4.497 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.083 15.549 4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.488 16.887 7.744 1.00 0.00 H new ATOM 0 HD12 ILE A 57 13.098 16.737 6.079 1.00 0.00 H new ATOM 0 HD13 ILE A 57 12.011 15.495 6.744 1.00 0.00 H new ATOM 864 N LEU A 58 13.719 12.143 4.082 1.00 0.00 N ATOM 865 CA LEU A 58 14.244 11.148 3.154 1.00 0.00 C ATOM 866 C LEU A 58 15.125 11.803 2.094 1.00 0.00 C ATOM 867 O LEU A 58 14.740 12.799 1.482 1.00 0.00 O ATOM 868 CB LEU A 58 13.097 10.391 2.483 1.00 0.00 C ATOM 869 CG LEU A 58 13.474 9.536 1.272 1.00 0.00 C ATOM 870 CD1 LEU A 58 14.386 8.393 1.689 1.00 0.00 C ATOM 871 CD2 LEU A 58 12.225 9.001 0.587 1.00 0.00 C ATOM 0 H LEU A 58 13.012 12.761 3.682 1.00 0.00 H new ATOM 0 HA LEU A 58 14.852 10.444 3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.630 9.746 3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 58 12.344 11.115 2.171 1.00 0.00 H new ATOM 0 HG LEU A 58 14.013 10.163 0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 58 14.644 7.796 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 58 15.296 8.797 2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 58 13.873 7.766 2.418 1.00 0.00 H new ATOM 0 HD21 LEU A 58 12.513 8.395 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.659 8.389 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.608 9.835 0.253 1.00 0.00 H new ATOM 883 N ASN A 59 16.307 11.236 1.881 1.00 0.00 N ATOM 884 CA ASN A 59 17.242 11.764 0.894 1.00 0.00 C ATOM 885 C ASN A 59 17.162 10.973 -0.408 1.00 0.00 C ATOM 886 O ASN A 59 17.396 9.765 -0.427 1.00 0.00 O ATOM 887 CB ASN A 59 18.671 11.724 1.441 1.00 0.00 C ATOM 888 CG ASN A 59 19.023 12.970 2.230 1.00 0.00 C ATOM 889 OD1 ASN A 59 18.189 13.516 2.954 1.00 0.00 O ATOM 890 ND2 ASN A 59 20.263 13.425 2.094 1.00 0.00 N ATOM 0 H ASN A 59 16.641 10.411 2.379 1.00 0.00 H new ATOM 0 HA ASN A 59 16.968 12.799 0.688 1.00 0.00 H new ATOM 0 HB2 ASN A 59 18.789 10.848 2.079 1.00 0.00 H new ATOM 0 HB3 ASN A 59 19.371 11.612 0.613 1.00 0.00 H new ATOM 0 HD21 ASN A 59 20.558 14.260 2.601 1.00 0.00 H new ATOM 0 HD22 ASN A 59 20.920 12.940 1.483 1.00 0.00 H new ATOM 897 N GLN A 60 16.830 11.664 -1.494 1.00 0.00 N ATOM 898 CA GLN A 60 16.719 11.026 -2.801 1.00 0.00 C ATOM 899 C GLN A 60 18.096 10.814 -3.421 1.00 0.00 C ATOM 900 O GLN A 60 18.307 9.865 -4.177 1.00 0.00 O ATOM 901 CB GLN A 60 15.852 11.874 -3.733 1.00 0.00 C ATOM 902 CG GLN A 60 14.360 11.710 -3.492 1.00 0.00 C ATOM 903 CD GLN A 60 13.520 12.299 -4.608 1.00 0.00 C ATOM 904 OE1 GLN A 60 14.049 12.840 -5.580 1.00 0.00 O ATOM 905 NE2 GLN A 60 12.203 12.198 -4.475 1.00 0.00 N ATOM 0 H GLN A 60 16.633 12.665 -1.495 1.00 0.00 H new ATOM 0 HA GLN A 60 16.248 10.052 -2.664 1.00 0.00 H new ATOM 0 HB2 GLN A 60 16.119 12.924 -3.609 1.00 0.00 H new ATOM 0 HB3 GLN A 60 16.076 11.608 -4.766 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.127 10.650 -3.388 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.093 12.189 -2.550 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.807 11.742 -3.653 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.587 12.577 -5.195 1.00 0.00 H new ATOM 914 N ARG A 61 19.029 11.702 -3.097 1.00 0.00 N ATOM 915 CA ARG A 61 20.386 11.612 -3.625 1.00 0.00 C ATOM 916 C ARG A 61 21.091 10.364 -3.101 1.00 0.00 C ATOM 917 O ARG A 61 21.686 9.606 -3.868 1.00 0.00 O ATOM 918 CB ARG A 61 21.186 12.860 -3.246 1.00 0.00 C ATOM 919 CG ARG A 61 22.484 13.009 -4.023 1.00 0.00 C ATOM 920 CD ARG A 61 23.153 14.345 -3.740 1.00 0.00 C ATOM 921 NE ARG A 61 24.561 14.346 -4.127 1.00 0.00 N ATOM 922 CZ ARG A 61 25.300 15.447 -4.208 1.00 0.00 C ATOM 923 NH1 ARG A 61 24.768 16.629 -3.929 1.00 0.00 N ATOM 924 NH2 ARG A 61 26.575 15.366 -4.568 1.00 0.00 N ATOM 0 H ARG A 61 18.871 12.492 -2.472 1.00 0.00 H new ATOM 0 HA ARG A 61 20.324 11.544 -4.711 1.00 0.00 H new ATOM 0 HB2 ARG A 61 20.568 13.742 -3.414 1.00 0.00 H new ATOM 0 HB3 ARG A 61 21.412 12.827 -2.180 1.00 0.00 H new ATOM 0 HG2 ARG A 61 23.163 12.198 -3.759 1.00 0.00 H new ATOM 0 HG3 ARG A 61 22.282 12.921 -5.091 1.00 0.00 H new ATOM 0 HD2 ARG A 61 22.629 15.134 -4.279 1.00 0.00 H new ATOM 0 HD3 ARG A 61 23.069 14.574 -2.678 1.00 0.00 H new ATOM 0 HE ARG A 61 25.001 13.453 -4.347 1.00 0.00 H new ATOM 0 HH11 ARG A 61 23.789 16.695 -3.651 1.00 0.00 H new ATOM 0 HH12 ARG A 61 25.338 17.473 -3.992 1.00 0.00 H new ATOM 0 HH21 ARG A 61 26.988 14.458 -4.783 1.00 0.00 H new ATOM 0 HH22 ARG A 61 27.142 16.212 -4.630 1.00 0.00 H new ATOM 938 N THR A 62 21.021 10.157 -1.790 1.00 0.00 N ATOM 939 CA THR A 62 21.653 9.003 -1.164 1.00 0.00 C ATOM 940 C THR A 62 20.679 7.836 -1.052 1.00 0.00 C ATOM 941 O THR A 62 20.916 6.761 -1.603 1.00 0.00 O ATOM 942 CB THR A 62 22.186 9.347 0.239 1.00 0.00 C ATOM 943 OG1 THR A 62 21.192 10.064 0.980 1.00 0.00 O ATOM 944 CG2 THR A 62 23.455 10.182 0.146 1.00 0.00 C ATOM 0 H THR A 62 20.533 10.774 -1.141 1.00 0.00 H new ATOM 0 HA THR A 62 22.489 8.716 -1.802 1.00 0.00 H new ATOM 0 HB THR A 62 22.419 8.414 0.753 1.00 0.00 H new ATOM 0 HG1 THR A 62 21.619 10.547 1.718 1.00 0.00 H new ATOM 0 HG21 THR A 62 23.813 10.413 1.149 1.00 0.00 H new ATOM 0 HG22 THR A 62 24.220 9.623 -0.393 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.242 11.109 -0.386 1.00 0.00 H new ATOM 952 N GLY A 63 19.580 8.054 -0.336 1.00 0.00 N ATOM 953 CA GLY A 63 18.586 7.010 -0.166 1.00 0.00 C ATOM 954 C GLY A 63 18.543 6.475 1.252 1.00 0.00 C ATOM 955 O GLY A 63 18.272 5.295 1.470 1.00 0.00 O ATOM 0 H GLY A 63 19.360 8.935 0.129 1.00 0.00 H new ATOM 0 HA2 GLY A 63 17.604 7.401 -0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.802 6.192 -0.853 1.00 0.00 H new ATOM 959 N LYS A 64 18.814 7.345 2.219 1.00 0.00 N ATOM 960 CA LYS A 64 18.807 6.955 3.624 1.00 0.00 C ATOM 961 C LYS A 64 17.824 7.808 4.420 1.00 0.00 C ATOM 962 O LYS A 64 17.230 8.747 3.889 1.00 0.00 O ATOM 963 CB LYS A 64 20.211 7.086 4.218 1.00 0.00 C ATOM 964 CG LYS A 64 20.679 8.524 4.360 1.00 0.00 C ATOM 965 CD LYS A 64 22.170 8.599 4.644 1.00 0.00 C ATOM 966 CE LYS A 64 22.990 8.353 3.387 1.00 0.00 C ATOM 967 NZ LYS A 64 24.371 7.894 3.707 1.00 0.00 N ATOM 0 H LYS A 64 19.041 8.326 2.055 1.00 0.00 H new ATOM 0 HA LYS A 64 18.490 5.914 3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.228 6.609 5.198 1.00 0.00 H new ATOM 0 HB3 LYS A 64 20.915 6.544 3.587 1.00 0.00 H new ATOM 0 HG2 LYS A 64 20.454 9.073 3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 64 20.129 9.009 5.167 1.00 0.00 H new ATOM 0 HD2 LYS A 64 22.415 9.579 5.053 1.00 0.00 H new ATOM 0 HD3 LYS A 64 22.435 7.862 5.402 1.00 0.00 H new ATOM 0 HE2 LYS A 64 22.493 7.605 2.769 1.00 0.00 H new ATOM 0 HE3 LYS A 64 23.039 9.270 2.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 24.898 7.737 2.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 24.855 8.618 4.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 24.325 7.005 4.245 1.00 0.00 H new ATOM 981 N CYS A 65 17.659 7.477 5.696 1.00 0.00 N ATOM 982 CA CYS A 65 16.749 8.213 6.565 1.00 0.00 C ATOM 983 C CYS A 65 17.473 8.715 7.810 1.00 0.00 C ATOM 984 O CYS A 65 18.459 8.123 8.248 1.00 0.00 O ATOM 985 CB CYS A 65 15.568 7.329 6.969 1.00 0.00 C ATOM 986 SG CYS A 65 16.044 5.692 7.572 1.00 0.00 S ATOM 0 H CYS A 65 18.144 6.704 6.151 1.00 0.00 H new ATOM 0 HA CYS A 65 16.375 9.074 6.011 1.00 0.00 H new ATOM 0 HB2 CYS A 65 14.996 7.838 7.745 1.00 0.00 H new ATOM 0 HB3 CYS A 65 14.907 7.210 6.111 1.00 0.00 H new ATOM 0 HG CYS A 65 17.211 5.762 8.141 1.00 0.00 H new ATOM 992 N SER A 66 16.977 9.811 8.376 1.00 0.00 N ATOM 993 CA SER A 66 17.580 10.396 9.568 1.00 0.00 C ATOM 994 C SER A 66 16.614 11.362 10.247 1.00 0.00 C ATOM 995 O SER A 66 15.690 11.877 9.619 1.00 0.00 O ATOM 996 CB SER A 66 18.876 11.124 9.204 1.00 0.00 C ATOM 997 OG SER A 66 18.639 12.140 8.245 1.00 0.00 O ATOM 0 H SER A 66 16.159 10.312 8.028 1.00 0.00 H new ATOM 0 HA SER A 66 17.808 9.589 10.264 1.00 0.00 H new ATOM 0 HB2 SER A 66 19.315 11.561 10.101 1.00 0.00 H new ATOM 0 HB3 SER A 66 19.600 10.410 8.811 1.00 0.00 H new ATOM 0 HG SER A 66 19.482 12.591 8.031 1.00 0.00 H new ATOM 1003 N ALA A 67 16.836 11.603 11.535 1.00 0.00 N ATOM 1004 CA ALA A 67 15.988 12.508 12.300 1.00 0.00 C ATOM 1005 C ALA A 67 16.483 13.946 12.194 1.00 0.00 C ATOM 1006 O ALA A 67 17.585 14.199 11.705 1.00 0.00 O ATOM 1007 CB ALA A 67 15.932 12.074 13.757 1.00 0.00 C ATOM 0 H ALA A 67 17.596 11.184 12.070 1.00 0.00 H new ATOM 0 HA ALA A 67 14.983 12.465 11.880 1.00 0.00 H new ATOM 0 HB1 ALA A 67 15.295 12.759 14.316 1.00 0.00 H new ATOM 0 HB2 ALA A 67 15.524 11.065 13.821 1.00 0.00 H new ATOM 0 HB3 ALA A 67 16.937 12.086 14.179 1.00 0.00 H new ATOM 1013 N CYS A 68 15.663 14.885 12.653 1.00 0.00 N ATOM 1014 CA CYS A 68 16.018 16.299 12.608 1.00 0.00 C ATOM 1015 C CYS A 68 15.181 17.101 13.599 1.00 0.00 C ATOM 1016 O CYS A 68 14.026 16.771 13.862 1.00 0.00 O ATOM 1017 CB CYS A 68 15.824 16.850 11.195 1.00 0.00 C ATOM 1018 SG CYS A 68 16.857 18.284 10.813 1.00 0.00 S ATOM 0 H CYS A 68 14.748 14.693 13.061 1.00 0.00 H new ATOM 0 HA CYS A 68 17.068 16.394 12.886 1.00 0.00 H new ATOM 0 HB2 CYS A 68 16.038 16.059 10.476 1.00 0.00 H new ATOM 0 HB3 CYS A 68 14.777 17.125 11.064 1.00 0.00 H new ATOM 0 HG CYS A 68 16.623 18.676 9.596 1.00 0.00 H new ATOM 1024 N ASN A 69 15.774 18.157 14.148 1.00 0.00 N ATOM 1025 CA ASN A 69 15.084 19.005 15.113 1.00 0.00 C ATOM 1026 C ASN A 69 14.489 18.171 16.243 1.00 0.00 C ATOM 1027 O ASN A 69 13.313 18.311 16.580 1.00 0.00 O ATOM 1028 CB ASN A 69 13.980 19.807 14.420 1.00 0.00 C ATOM 1029 CG ASN A 69 14.525 20.992 13.647 1.00 0.00 C ATOM 1030 OD1 ASN A 69 15.590 21.520 13.968 1.00 0.00 O ATOM 1031 ND2 ASN A 69 13.795 21.417 12.622 1.00 0.00 N ATOM 0 H ASN A 69 16.730 18.445 13.941 1.00 0.00 H new ATOM 0 HA ASN A 69 15.812 19.695 15.540 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.432 19.154 13.740 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.268 20.160 15.166 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.111 22.211 12.065 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.918 20.949 12.392 1.00 0.00 H new ATOM 1038 N VAL A 70 15.310 17.304 16.827 1.00 0.00 N ATOM 1039 CA VAL A 70 14.866 16.448 17.921 1.00 0.00 C ATOM 1040 C VAL A 70 14.452 17.275 19.132 1.00 0.00 C ATOM 1041 O VAL A 70 15.293 17.687 19.932 1.00 0.00 O ATOM 1042 CB VAL A 70 15.969 15.458 18.342 1.00 0.00 C ATOM 1043 CG1 VAL A 70 15.497 14.595 19.502 1.00 0.00 C ATOM 1044 CG2 VAL A 70 16.388 14.595 17.161 1.00 0.00 C ATOM 0 H VAL A 70 16.286 17.176 16.561 1.00 0.00 H new ATOM 0 HA VAL A 70 14.005 15.888 17.556 1.00 0.00 H new ATOM 0 HB VAL A 70 16.837 16.027 18.674 1.00 0.00 H new ATOM 0 HG11 VAL A 70 16.289 13.902 19.786 1.00 0.00 H new ATOM 0 HG12 VAL A 70 15.250 15.231 20.352 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.613 14.032 19.201 1.00 0.00 H new ATOM 0 HG21 VAL A 70 17.168 13.901 17.476 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.528 14.033 16.798 1.00 0.00 H new ATOM 0 HG23 VAL A 70 16.769 15.231 16.362 1.00 0.00 H new ATOM 1054 N TRP A 71 13.152 17.515 19.262 1.00 0.00 N ATOM 1055 CA TRP A 71 12.626 18.293 20.377 1.00 0.00 C ATOM 1056 C TRP A 71 11.873 17.400 21.357 1.00 0.00 C ATOM 1057 O TRP A 71 10.859 16.796 21.007 1.00 0.00 O ATOM 1058 CB TRP A 71 11.703 19.399 19.863 1.00 0.00 C ATOM 1059 CG TRP A 71 12.441 20.564 19.275 1.00 0.00 C ATOM 1060 CD1 TRP A 71 13.595 20.519 18.546 1.00 0.00 C ATOM 1061 CD2 TRP A 71 12.077 21.945 19.370 1.00 0.00 C ATOM 1062 NE1 TRP A 71 13.970 21.790 18.181 1.00 0.00 N ATOM 1063 CE2 TRP A 71 13.055 22.682 18.673 1.00 0.00 C ATOM 1064 CE3 TRP A 71 11.019 22.631 19.972 1.00 0.00 C ATOM 1065 CZ2 TRP A 71 13.005 24.069 18.566 1.00 0.00 C ATOM 1066 CZ3 TRP A 71 10.971 24.008 19.865 1.00 0.00 C ATOM 1067 CH2 TRP A 71 11.958 24.715 19.166 1.00 0.00 C ATOM 0 H TRP A 71 12.443 17.182 18.609 1.00 0.00 H new ATOM 0 HA TRP A 71 13.468 18.746 20.901 1.00 0.00 H new ATOM 0 HB2 TRP A 71 11.035 18.983 19.109 1.00 0.00 H new ATOM 0 HB3 TRP A 71 11.078 19.751 20.684 1.00 0.00 H new ATOM 0 HD1 TRP A 71 14.134 19.618 18.294 1.00 0.00 H new ATOM 0 HE1 TRP A 71 14.796 22.030 17.633 1.00 0.00 H new ATOM 0 HE3 TRP A 71 10.252 22.095 20.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 13.765 24.616 18.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 10.159 24.548 20.328 1.00 0.00 H new ATOM 0 HH2 TRP A 71 11.891 25.791 19.099 1.00 0.00 H new ATOM 1078 N ARG A 72 12.375 17.321 22.585 1.00 0.00 N ATOM 1079 CA ARG A 72 11.749 16.500 23.615 1.00 0.00 C ATOM 1080 C ARG A 72 10.273 16.852 23.768 1.00 0.00 C ATOM 1081 O ARG A 72 9.897 18.024 23.736 1.00 0.00 O ATOM 1082 CB ARG A 72 12.470 16.684 24.951 1.00 0.00 C ATOM 1083 CG ARG A 72 12.175 15.585 25.959 1.00 0.00 C ATOM 1084 CD ARG A 72 12.466 16.040 27.380 1.00 0.00 C ATOM 1085 NE ARG A 72 11.299 16.652 28.010 1.00 0.00 N ATOM 1086 CZ ARG A 72 11.226 16.934 29.306 1.00 0.00 C ATOM 1087 NH1 ARG A 72 12.248 16.662 30.105 1.00 0.00 N ATOM 1088 NH2 ARG A 72 10.130 17.491 29.804 1.00 0.00 N ATOM 0 H ARG A 72 13.213 17.815 22.891 1.00 0.00 H new ATOM 0 HA ARG A 72 11.826 15.457 23.309 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.545 16.722 24.772 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.184 17.645 25.379 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.130 15.287 25.878 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.776 14.706 25.727 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.792 15.186 27.974 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.289 16.755 27.370 1.00 0.00 H new ATOM 0 HE ARG A 72 10.496 16.875 27.422 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.093 16.235 29.725 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.190 16.879 31.100 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.342 17.703 29.192 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.075 17.707 30.799 1.00 0.00 H new ATOM 1102 N VAL A 73 9.440 15.830 23.934 1.00 0.00 N ATOM 1103 CA VAL A 73 8.004 16.031 24.093 1.00 0.00 C ATOM 1104 C VAL A 73 7.597 15.948 25.559 1.00 0.00 C ATOM 1105 O VAL A 73 6.885 16.815 26.066 1.00 0.00 O ATOM 1106 CB VAL A 73 7.200 14.993 23.288 1.00 0.00 C ATOM 1107 CG1 VAL A 73 5.717 15.330 23.313 1.00 0.00 C ATOM 1108 CG2 VAL A 73 7.713 14.913 21.858 1.00 0.00 C ATOM 0 H VAL A 73 9.735 14.854 23.962 1.00 0.00 H new ATOM 0 HA VAL A 73 7.779 17.028 23.713 1.00 0.00 H new ATOM 0 HB VAL A 73 7.334 14.016 23.753 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.165 14.586 22.739 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.361 15.331 24.343 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.560 16.316 22.875 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.133 14.175 21.304 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.611 15.887 21.380 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.763 14.620 21.864 1.00 0.00 H new ATOM 1118 N SER A 74 8.054 14.900 26.237 1.00 0.00 N ATOM 1119 CA SER A 74 7.734 14.702 27.646 1.00 0.00 C ATOM 1120 C SER A 74 8.947 14.180 28.410 1.00 0.00 C ATOM 1121 O SER A 74 9.925 13.731 27.813 1.00 0.00 O ATOM 1122 CB SER A 74 6.566 13.725 27.793 1.00 0.00 C ATOM 1123 OG SER A 74 5.933 13.873 29.052 1.00 0.00 O ATOM 0 H SER A 74 8.647 14.175 25.833 1.00 0.00 H new ATOM 0 HA SER A 74 7.448 15.666 28.067 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.842 13.896 26.996 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.927 12.702 27.682 1.00 0.00 H new ATOM 0 HG SER A 74 5.189 13.239 29.121 1.00 0.00 H new