USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 534 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 CYS SG : rot -87:sc= -3.64! USER MOD Set 1.2: A 63 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 11 CYS SG : rot -73:sc= 0.244 USER MOD Set 2.2: A 12 ASN : amide:sc= -3.41! C(o=-3.2!,f=-3.2!) USER MOD Single : A 2 GLN : amide:sc= -2.17 K(o=-2.2,f=-3.6!) USER MOD Single : A 5 SER OG : rot -150:sc= -0.237 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -158:sc= -1.54! (180deg=-2.7!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= -0.0154 X(o=-0.015,f=-0.26) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00255) USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.000701) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -5.34! C(o=-5.3!,f=-5.8!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -163:sc= -0.0125 (180deg=-0.226) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -1.94 K(o=-1.9,f=-1.1!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 90:sc= -0.0691 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -2.11 K(o=-2.1,f=-6.7!) USER MOD Single : A 64 GLN : amide:sc=-0.00313 X(o=-0.0031,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 -7.197 -4.180 -4.912 1.00 0.00 N ATOM 12 CA GLN A 2 -7.853 -3.282 -3.977 1.00 0.00 C ATOM 13 C GLN A 2 -7.065 -1.976 -3.854 1.00 0.00 C ATOM 14 O GLN A 2 -5.897 -1.913 -4.235 1.00 0.00 O ATOM 15 CB GLN A 2 -8.029 -3.947 -2.610 1.00 0.00 C ATOM 16 CG GLN A 2 -9.429 -4.547 -2.469 1.00 0.00 C ATOM 17 CD GLN A 2 -10.281 -3.727 -1.497 1.00 0.00 C ATOM 18 OE1 GLN A 2 -10.306 -3.965 -0.301 1.00 0.00 O ATOM 19 NE2 GLN A 2 -10.976 -2.752 -2.076 1.00 0.00 N ATOM 0 HA GLN A 2 -8.846 -3.050 -4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.280 -4.728 -2.483 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -7.862 -3.214 -1.821 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.914 -4.581 -3.444 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -9.354 -5.575 -2.115 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.909 -2.607 -3.083 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.576 -2.149 -1.513 1.00 0.00 H new ATOM 28 N GLU A 3 -7.736 -0.966 -3.319 1.00 0.00 N ATOM 29 CA GLU A 3 -7.113 0.335 -3.141 1.00 0.00 C ATOM 30 C GLU A 3 -7.412 0.879 -1.743 1.00 0.00 C ATOM 31 O GLU A 3 -8.429 0.534 -1.142 1.00 0.00 O ATOM 32 CB GLU A 3 -7.573 1.315 -4.221 1.00 0.00 C ATOM 33 CG GLU A 3 -9.007 1.783 -3.963 1.00 0.00 C ATOM 34 CD GLU A 3 -9.478 2.739 -5.060 1.00 0.00 C ATOM 35 OE1 GLU A 3 -8.945 3.869 -5.096 1.00 0.00 O ATOM 36 OE2 GLU A 3 -10.361 2.319 -5.838 1.00 0.00 O ATOM 0 H GLU A 3 -8.704 -1.022 -3.003 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.034 0.217 -3.240 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.905 2.176 -4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.513 0.838 -5.199 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.672 0.921 -3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.062 2.280 -2.994 1.00 0.00 H new ATOM 43 N PHE A 4 -6.508 1.721 -1.265 1.00 0.00 N ATOM 44 CA PHE A 4 -6.662 2.317 0.052 1.00 0.00 C ATOM 45 C PHE A 4 -6.543 3.841 -0.019 1.00 0.00 C ATOM 46 O PHE A 4 -5.687 4.368 -0.726 1.00 0.00 O ATOM 47 CB PHE A 4 -5.532 1.769 0.926 1.00 0.00 C ATOM 48 CG PHE A 4 -5.015 0.398 0.487 1.00 0.00 C ATOM 49 CD1 PHE A 4 -5.894 -0.587 0.158 1.00 0.00 C ATOM 50 CD2 PHE A 4 -3.677 0.163 0.426 1.00 0.00 C ATOM 51 CE1 PHE A 4 -5.414 -1.860 -0.249 1.00 0.00 C ATOM 52 CE2 PHE A 4 -3.197 -1.110 0.018 1.00 0.00 C ATOM 53 CZ PHE A 4 -4.076 -2.095 -0.311 1.00 0.00 C ATOM 0 H PHE A 4 -5.666 2.005 -1.766 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.644 2.074 0.458 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.704 2.478 0.918 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.883 1.701 1.956 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.957 -0.401 0.206 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -2.979 0.945 0.688 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.112 -2.642 -0.509 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.134 -1.296 -0.031 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.711 -3.063 -0.621 1.00 0.00 H new ATOM 63 N SER A 5 -7.416 4.505 0.725 1.00 0.00 N ATOM 64 CA SER A 5 -7.419 5.958 0.756 1.00 0.00 C ATOM 65 C SER A 5 -6.571 6.458 1.927 1.00 0.00 C ATOM 66 O SER A 5 -6.692 5.960 3.044 1.00 0.00 O ATOM 67 CB SER A 5 -8.845 6.503 0.863 1.00 0.00 C ATOM 68 OG SER A 5 -8.879 7.797 1.458 1.00 0.00 O ATOM 0 H SER A 5 -8.125 4.064 1.310 1.00 0.00 H new ATOM 0 HA SER A 5 -6.989 6.321 -0.177 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.291 6.549 -0.131 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.452 5.817 1.453 1.00 0.00 H new ATOM 0 HG SER A 5 -9.726 7.915 1.936 1.00 0.00 H new ATOM 74 N VAL A 6 -5.730 7.438 1.630 1.00 0.00 N ATOM 75 CA VAL A 6 -4.861 8.012 2.643 1.00 0.00 C ATOM 76 C VAL A 6 -5.335 9.429 2.972 1.00 0.00 C ATOM 77 O VAL A 6 -5.761 10.167 2.085 1.00 0.00 O ATOM 78 CB VAL A 6 -3.406 7.962 2.174 1.00 0.00 C ATOM 79 CG1 VAL A 6 -2.487 8.687 3.160 1.00 0.00 C ATOM 80 CG2 VAL A 6 -2.948 6.518 1.958 1.00 0.00 C ATOM 0 H VAL A 6 -5.632 7.849 0.702 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.912 7.430 3.563 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.345 8.479 1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.458 8.637 2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.792 9.730 3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.555 8.211 4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.910 6.511 1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.032 5.966 2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.575 6.047 1.201 1.00 0.00 H new ATOM 90 N LYS A 7 -5.246 9.767 4.250 1.00 0.00 N ATOM 91 CA LYS A 7 -5.660 11.082 4.708 1.00 0.00 C ATOM 92 C LYS A 7 -4.730 11.543 5.832 1.00 0.00 C ATOM 93 O LYS A 7 -5.192 11.986 6.882 1.00 0.00 O ATOM 94 CB LYS A 7 -7.139 11.072 5.099 1.00 0.00 C ATOM 95 CG LYS A 7 -8.016 11.546 3.938 1.00 0.00 C ATOM 96 CD LYS A 7 -8.694 10.362 3.245 1.00 0.00 C ATOM 97 CE LYS A 7 -9.620 10.840 2.124 1.00 0.00 C ATOM 98 NZ LYS A 7 -10.961 11.162 2.662 1.00 0.00 N ATOM 0 H LYS A 7 -4.893 9.152 4.983 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.572 11.811 3.902 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.434 10.065 5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.295 11.717 5.964 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.773 12.238 4.308 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.408 12.094 3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.937 9.693 2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.266 9.788 3.974 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.194 11.720 1.643 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.704 10.068 1.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.577 11.485 1.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.372 10.313 3.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.877 11.914 3.375 1.00 0.00 H new ATOM 112 N GLY A 8 -3.436 11.424 5.572 1.00 0.00 N ATOM 113 CA GLY A 8 -2.437 11.823 6.549 1.00 0.00 C ATOM 114 C GLY A 8 -1.044 11.878 5.918 1.00 0.00 C ATOM 115 O GLY A 8 -0.040 11.703 6.605 1.00 0.00 O ATOM 0 H GLY A 8 -3.057 11.057 4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.693 12.800 6.958 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.436 11.119 7.381 1.00 0.00 H new ATOM 119 N MET A 9 -1.029 12.123 4.616 1.00 0.00 N ATOM 120 CA MET A 9 0.223 12.204 3.884 1.00 0.00 C ATOM 121 C MET A 9 0.940 13.526 4.168 1.00 0.00 C ATOM 122 O MET A 9 0.312 14.502 4.574 1.00 0.00 O ATOM 123 CB MET A 9 -0.053 12.085 2.383 1.00 0.00 C ATOM 124 CG MET A 9 0.742 10.932 1.769 1.00 0.00 C ATOM 125 SD MET A 9 1.259 11.359 0.115 1.00 0.00 S ATOM 126 CE MET A 9 -0.124 10.724 -0.816 1.00 0.00 C ATOM 0 H MET A 9 -1.864 12.268 4.049 1.00 0.00 H new ATOM 0 HA MET A 9 0.866 11.386 4.210 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.118 11.926 2.217 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.211 13.019 1.886 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.613 10.711 2.386 1.00 0.00 H new ATOM 0 HG3 MET A 9 0.131 10.030 1.746 1.00 0.00 H new ATOM 0 HE1 MET A 9 0.182 10.546 -1.847 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.463 9.788 -0.371 1.00 0.00 H new ATOM 0 HE3 MET A 9 -0.937 11.449 -0.799 1.00 0.00 H new ATOM 136 N SER A 10 2.246 13.514 3.944 1.00 0.00 N ATOM 137 CA SER A 10 3.055 14.699 4.171 1.00 0.00 C ATOM 138 C SER A 10 3.525 15.276 2.834 1.00 0.00 C ATOM 139 O SER A 10 3.725 16.483 2.711 1.00 0.00 O ATOM 140 CB SER A 10 4.256 14.384 5.065 1.00 0.00 C ATOM 141 OG SER A 10 4.492 15.411 6.024 1.00 0.00 O ATOM 0 H SER A 10 2.764 12.702 3.608 1.00 0.00 H new ATOM 0 HA SER A 10 2.440 15.439 4.683 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.086 13.439 5.581 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.144 14.255 4.447 1.00 0.00 H new ATOM 0 HG SER A 10 5.265 15.172 6.576 1.00 0.00 H new ATOM 147 N CYS A 11 3.688 14.385 1.867 1.00 0.00 N ATOM 148 CA CYS A 11 4.131 14.791 0.543 1.00 0.00 C ATOM 149 C CYS A 11 5.656 14.907 0.562 1.00 0.00 C ATOM 150 O CYS A 11 6.226 15.498 1.478 1.00 0.00 O ATOM 151 CB CYS A 11 3.465 16.094 0.098 1.00 0.00 C ATOM 152 SG CYS A 11 3.588 16.271 -1.719 1.00 0.00 S ATOM 0 H CYS A 11 3.522 13.384 1.973 1.00 0.00 H new ATOM 0 HA CYS A 11 3.833 14.040 -0.189 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.418 16.099 0.402 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.943 16.942 0.587 1.00 0.00 H new ATOM 0 HG CYS A 11 4.812 16.562 -2.045 1.00 0.00 H new ATOM 158 N ASN A 12 6.274 14.333 -0.460 1.00 0.00 N ATOM 159 CA ASN A 12 7.723 14.365 -0.572 1.00 0.00 C ATOM 160 C ASN A 12 8.323 13.273 0.315 1.00 0.00 C ATOM 161 O ASN A 12 8.515 13.477 1.513 1.00 0.00 O ATOM 162 CB ASN A 12 8.282 15.712 -0.108 1.00 0.00 C ATOM 163 CG ASN A 12 7.336 16.856 -0.480 1.00 0.00 C ATOM 164 OD1 ASN A 12 6.857 16.961 -1.598 1.00 0.00 O ATOM 165 ND2 ASN A 12 7.096 17.705 0.515 1.00 0.00 N ATOM 0 H ASN A 12 5.798 13.843 -1.218 1.00 0.00 H new ATOM 0 HA ASN A 12 7.984 14.208 -1.619 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.431 15.695 0.972 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.258 15.880 -0.562 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.478 18.503 0.367 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.530 17.558 1.426 1.00 0.00 H new ATOM 172 N HIS A 13 8.603 12.137 -0.307 1.00 0.00 N ATOM 173 CA HIS A 13 9.177 11.012 0.411 1.00 0.00 C ATOM 174 C HIS A 13 8.056 10.135 0.972 1.00 0.00 C ATOM 175 O HIS A 13 8.226 8.926 1.123 1.00 0.00 O ATOM 176 CB HIS A 13 10.148 11.495 1.490 1.00 0.00 C ATOM 177 CG HIS A 13 11.375 10.629 1.645 1.00 0.00 C ATOM 178 ND1 HIS A 13 11.352 9.257 1.464 1.00 0.00 N ATOM 179 CD2 HIS A 13 12.661 10.954 1.963 1.00 0.00 C ATOM 180 CE1 HIS A 13 12.574 8.788 1.668 1.00 0.00 C ATOM 181 NE2 HIS A 13 13.384 9.841 1.978 1.00 0.00 N ATOM 0 H HIS A 13 8.443 11.972 -1.301 1.00 0.00 H new ATOM 0 HA HIS A 13 9.762 10.399 -0.274 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.461 12.512 1.253 1.00 0.00 H new ATOM 0 HB3 HIS A 13 9.623 11.537 2.444 1.00 0.00 H new ATOM 0 HD1 HIS A 13 10.533 8.701 1.216 1.00 0.00 H new ATOM 0 HD2 HIS A 13 13.029 11.949 2.168 1.00 0.00 H new ATOM 0 HE1 HIS A 13 12.876 7.753 1.601 1.00 0.00 H new ATOM 189 N CYS A 14 6.936 10.778 1.266 1.00 0.00 N ATOM 190 CA CYS A 14 5.787 10.072 1.807 1.00 0.00 C ATOM 191 C CYS A 14 5.294 9.078 0.753 1.00 0.00 C ATOM 192 O CYS A 14 5.240 7.876 1.005 1.00 0.00 O ATOM 193 CB CYS A 14 4.683 11.037 2.242 1.00 0.00 C ATOM 194 SG CYS A 14 5.065 11.721 3.896 1.00 0.00 S ATOM 0 H CYS A 14 6.799 11.781 1.140 1.00 0.00 H new ATOM 0 HA CYS A 14 6.080 9.531 2.707 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.590 11.846 1.518 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.724 10.519 2.266 1.00 0.00 H new ATOM 0 HG CYS A 14 4.604 10.923 4.813 1.00 0.00 H new ATOM 200 N VAL A 15 4.946 9.618 -0.406 1.00 0.00 N ATOM 201 CA VAL A 15 4.459 8.794 -1.500 1.00 0.00 C ATOM 202 C VAL A 15 5.343 7.553 -1.629 1.00 0.00 C ATOM 203 O VAL A 15 4.839 6.434 -1.718 1.00 0.00 O ATOM 204 CB VAL A 15 4.393 9.619 -2.787 1.00 0.00 C ATOM 205 CG1 VAL A 15 4.505 8.720 -4.020 1.00 0.00 C ATOM 206 CG2 VAL A 15 3.115 10.459 -2.835 1.00 0.00 C ATOM 0 H VAL A 15 4.992 10.616 -0.611 1.00 0.00 H new ATOM 0 HA VAL A 15 3.444 8.451 -1.298 1.00 0.00 H new ATOM 0 HB VAL A 15 5.243 10.302 -2.792 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.455 9.331 -4.921 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.455 8.186 -3.996 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.685 8.002 -4.023 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.093 11.036 -3.760 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.246 9.802 -2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.094 11.139 -1.983 1.00 0.00 H new ATOM 216 N ALA A 16 6.646 7.791 -1.636 1.00 0.00 N ATOM 217 CA ALA A 16 7.605 6.706 -1.754 1.00 0.00 C ATOM 218 C ALA A 16 7.518 5.817 -0.512 1.00 0.00 C ATOM 219 O ALA A 16 7.339 4.605 -0.622 1.00 0.00 O ATOM 220 CB ALA A 16 9.007 7.283 -1.961 1.00 0.00 C ATOM 0 H ALA A 16 7.060 8.720 -1.562 1.00 0.00 H new ATOM 0 HA ALA A 16 7.377 6.085 -2.621 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.726 6.469 -2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.023 7.882 -2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.272 7.910 -1.110 1.00 0.00 H new ATOM 226 N ARG A 17 7.649 6.454 0.643 1.00 0.00 N ATOM 227 CA ARG A 17 7.587 5.737 1.905 1.00 0.00 C ATOM 228 C ARG A 17 6.423 4.744 1.895 1.00 0.00 C ATOM 229 O ARG A 17 6.594 3.577 2.244 1.00 0.00 O ATOM 230 CB ARG A 17 7.415 6.702 3.079 1.00 0.00 C ATOM 231 CG ARG A 17 8.580 6.580 4.064 1.00 0.00 C ATOM 232 CD ARG A 17 8.872 7.923 4.736 1.00 0.00 C ATOM 233 NE ARG A 17 8.799 7.779 6.208 1.00 0.00 N ATOM 234 CZ ARG A 17 8.801 8.809 7.064 1.00 0.00 C ATOM 235 NH1 ARG A 17 8.872 10.065 6.602 1.00 0.00 N ATOM 236 NH2 ARG A 17 8.732 8.584 8.383 1.00 0.00 N ATOM 0 H ARG A 17 7.798 7.459 0.731 1.00 0.00 H new ATOM 0 HA ARG A 17 8.527 5.199 2.027 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.354 7.725 2.708 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.477 6.492 3.592 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.343 5.834 4.822 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.469 6.231 3.540 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.861 8.277 4.446 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.154 8.671 4.399 1.00 0.00 H new ATOM 0 HE ARG A 17 8.744 6.837 6.594 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.925 10.237 5.598 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.873 10.849 7.254 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.678 7.628 8.735 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.734 9.368 9.035 1.00 0.00 H new ATOM 250 N ILE A 18 5.264 5.244 1.490 1.00 0.00 N ATOM 251 CA ILE A 18 4.072 4.416 1.430 1.00 0.00 C ATOM 252 C ILE A 18 4.281 3.303 0.400 1.00 0.00 C ATOM 253 O ILE A 18 4.213 2.122 0.735 1.00 0.00 O ATOM 254 CB ILE A 18 2.835 5.276 1.164 1.00 0.00 C ATOM 255 CG1 ILE A 18 2.705 6.387 2.208 1.00 0.00 C ATOM 256 CG2 ILE A 18 1.574 4.413 1.084 1.00 0.00 C ATOM 257 CD1 ILE A 18 1.536 7.317 1.876 1.00 0.00 C ATOM 0 H ILE A 18 5.126 6.212 1.200 1.00 0.00 H new ATOM 0 HA ILE A 18 3.895 3.933 2.391 1.00 0.00 H new ATOM 0 HB ILE A 18 2.956 5.759 0.194 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.556 5.948 3.195 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.631 6.961 2.251 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.709 5.049 0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.678 3.691 0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.435 3.884 2.027 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.466 8.098 2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.700 7.773 0.899 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.609 6.744 1.858 1.00 0.00 H new ATOM 269 N GLU A 19 4.530 3.721 -0.832 1.00 0.00 N ATOM 270 CA GLU A 19 4.749 2.774 -1.913 1.00 0.00 C ATOM 271 C GLU A 19 5.778 1.722 -1.496 1.00 0.00 C ATOM 272 O GLU A 19 5.515 0.523 -1.583 1.00 0.00 O ATOM 273 CB GLU A 19 5.186 3.493 -3.191 1.00 0.00 C ATOM 274 CG GLU A 19 5.978 2.555 -4.104 1.00 0.00 C ATOM 275 CD GLU A 19 7.484 2.731 -3.899 1.00 0.00 C ATOM 276 OE1 GLU A 19 7.846 3.555 -3.032 1.00 0.00 O ATOM 277 OE2 GLU A 19 8.239 2.036 -4.613 1.00 0.00 O ATOM 0 H GLU A 19 4.585 4.702 -1.106 1.00 0.00 H new ATOM 0 HA GLU A 19 3.807 2.268 -2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.309 3.867 -3.720 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.797 4.359 -2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.698 1.521 -3.900 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.723 2.755 -5.145 1.00 0.00 H new ATOM 284 N GLU A 20 6.929 2.208 -1.054 1.00 0.00 N ATOM 285 CA GLU A 20 7.999 1.324 -0.624 1.00 0.00 C ATOM 286 C GLU A 20 7.556 0.507 0.592 1.00 0.00 C ATOM 287 O GLU A 20 7.809 -0.695 0.662 1.00 0.00 O ATOM 288 CB GLU A 20 9.273 2.113 -0.319 1.00 0.00 C ATOM 289 CG GLU A 20 10.520 1.268 -0.589 1.00 0.00 C ATOM 290 CD GLU A 20 11.392 1.908 -1.671 1.00 0.00 C ATOM 291 OE1 GLU A 20 11.503 3.153 -1.648 1.00 0.00 O ATOM 292 OE2 GLU A 20 11.927 1.138 -2.498 1.00 0.00 O ATOM 0 H GLU A 20 7.144 3.203 -0.984 1.00 0.00 H new ATOM 0 HA GLU A 20 8.224 0.635 -1.438 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.301 3.015 -0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.266 2.434 0.723 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.096 1.159 0.330 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.224 0.266 -0.901 1.00 0.00 H new ATOM 299 N ALA A 21 6.902 1.191 1.519 1.00 0.00 N ATOM 300 CA ALA A 21 6.422 0.544 2.727 1.00 0.00 C ATOM 301 C ALA A 21 5.566 -0.666 2.347 1.00 0.00 C ATOM 302 O ALA A 21 5.624 -1.704 3.005 1.00 0.00 O ATOM 303 CB ALA A 21 5.654 1.557 3.579 1.00 0.00 C ATOM 0 H ALA A 21 6.693 2.188 1.457 1.00 0.00 H new ATOM 0 HA ALA A 21 7.258 0.182 3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.294 1.071 4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.314 2.382 3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.806 1.941 3.012 1.00 0.00 H new ATOM 309 N VAL A 22 4.790 -0.492 1.287 1.00 0.00 N ATOM 310 CA VAL A 22 3.923 -1.557 0.812 1.00 0.00 C ATOM 311 C VAL A 22 4.765 -2.610 0.089 1.00 0.00 C ATOM 312 O VAL A 22 4.661 -3.801 0.382 1.00 0.00 O ATOM 313 CB VAL A 22 2.813 -0.975 -0.066 1.00 0.00 C ATOM 314 CG1 VAL A 22 1.894 -2.080 -0.592 1.00 0.00 C ATOM 315 CG2 VAL A 22 2.014 0.087 0.693 1.00 0.00 C ATOM 0 H VAL A 22 4.744 0.370 0.744 1.00 0.00 H new ATOM 0 HA VAL A 22 3.432 -2.052 1.650 1.00 0.00 H new ATOM 0 HB VAL A 22 3.282 -0.493 -0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.114 -1.640 -1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.476 -2.785 -1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.437 -2.604 0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.232 0.485 0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.561 -0.361 1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.679 0.895 0.996 1.00 0.00 H new ATOM 325 N GLY A 23 5.581 -2.134 -0.840 1.00 0.00 N ATOM 326 CA GLY A 23 6.441 -3.020 -1.606 1.00 0.00 C ATOM 327 C GLY A 23 7.277 -3.907 -0.681 1.00 0.00 C ATOM 328 O GLY A 23 7.725 -4.980 -1.083 1.00 0.00 O ATOM 0 H GLY A 23 5.665 -1.146 -1.080 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.834 -3.643 -2.263 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.100 -2.431 -2.244 1.00 0.00 H new ATOM 332 N ARG A 24 7.462 -3.427 0.540 1.00 0.00 N ATOM 333 CA ARG A 24 8.236 -4.163 1.524 1.00 0.00 C ATOM 334 C ARG A 24 7.426 -5.344 2.062 1.00 0.00 C ATOM 335 O ARG A 24 7.984 -6.265 2.655 1.00 0.00 O ATOM 336 CB ARG A 24 8.645 -3.260 2.690 1.00 0.00 C ATOM 337 CG ARG A 24 10.032 -3.635 3.214 1.00 0.00 C ATOM 338 CD ARG A 24 9.988 -3.943 4.712 1.00 0.00 C ATOM 339 NE ARG A 24 9.599 -5.355 4.927 1.00 0.00 N ATOM 340 CZ ARG A 24 9.290 -5.875 6.123 1.00 0.00 C ATOM 341 NH1 ARG A 24 9.324 -5.104 7.218 1.00 0.00 N ATOM 342 NH2 ARG A 24 8.948 -7.167 6.223 1.00 0.00 N ATOM 0 H ARG A 24 7.089 -2.537 0.870 1.00 0.00 H new ATOM 0 HA ARG A 24 9.136 -4.531 1.031 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.644 -2.219 2.366 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.914 -3.344 3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.407 -4.503 2.672 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.728 -2.817 3.028 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.964 -3.754 5.159 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.277 -3.282 5.207 1.00 0.00 H new ATOM 0 HE ARG A 24 9.564 -5.970 4.114 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.585 -4.121 7.142 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.089 -5.500 8.128 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.923 -7.754 5.389 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.713 -7.563 7.133 1.00 0.00 H new ATOM 356 N ILE A 25 6.122 -5.278 1.835 1.00 0.00 N ATOM 357 CA ILE A 25 5.230 -6.330 2.290 1.00 0.00 C ATOM 358 C ILE A 25 5.497 -7.603 1.484 1.00 0.00 C ATOM 359 O ILE A 25 5.265 -7.638 0.277 1.00 0.00 O ATOM 360 CB ILE A 25 3.775 -5.861 2.232 1.00 0.00 C ATOM 361 CG1 ILE A 25 3.587 -4.559 3.014 1.00 0.00 C ATOM 362 CG2 ILE A 25 2.824 -6.960 2.712 1.00 0.00 C ATOM 363 CD1 ILE A 25 4.148 -4.685 4.432 1.00 0.00 C ATOM 0 H ILE A 25 5.662 -4.512 1.342 1.00 0.00 H new ATOM 0 HA ILE A 25 5.424 -6.567 3.336 1.00 0.00 H new ATOM 0 HB ILE A 25 3.525 -5.651 1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.086 -3.742 2.493 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.527 -4.308 3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.796 -6.600 2.660 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.933 -7.839 2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.064 -7.225 3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.002 -3.746 4.966 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.630 -5.486 4.958 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.213 -4.912 4.383 1.00 0.00 H new ATOM 375 N SER A 26 5.982 -8.618 2.185 1.00 0.00 N ATOM 376 CA SER A 26 6.284 -9.889 1.550 1.00 0.00 C ATOM 377 C SER A 26 4.997 -10.533 1.030 1.00 0.00 C ATOM 378 O SER A 26 4.284 -11.197 1.781 1.00 0.00 O ATOM 379 CB SER A 26 6.997 -10.834 2.520 1.00 0.00 C ATOM 380 OG SER A 26 7.465 -12.013 1.870 1.00 0.00 O ATOM 0 H SER A 26 6.173 -8.585 3.186 1.00 0.00 H new ATOM 0 HA SER A 26 6.954 -9.701 0.711 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.838 -10.315 2.979 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.315 -11.110 3.324 1.00 0.00 H new ATOM 0 HG SER A 26 7.915 -12.589 2.522 1.00 0.00 H new ATOM 386 N GLY A 27 4.739 -10.315 -0.251 1.00 0.00 N ATOM 387 CA GLY A 27 3.551 -10.865 -0.879 1.00 0.00 C ATOM 388 C GLY A 27 2.989 -9.903 -1.927 1.00 0.00 C ATOM 389 O GLY A 27 2.186 -10.298 -2.772 1.00 0.00 O ATOM 0 H GLY A 27 5.333 -9.765 -0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.792 -11.819 -1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.794 -11.065 -0.121 1.00 0.00 H new ATOM 393 N VAL A 28 3.432 -8.657 -1.839 1.00 0.00 N ATOM 394 CA VAL A 28 2.984 -7.635 -2.769 1.00 0.00 C ATOM 395 C VAL A 28 3.739 -7.788 -4.091 1.00 0.00 C ATOM 396 O VAL A 28 4.958 -7.956 -4.098 1.00 0.00 O ATOM 397 CB VAL A 28 3.148 -6.249 -2.143 1.00 0.00 C ATOM 398 CG1 VAL A 28 3.325 -5.178 -3.221 1.00 0.00 C ATOM 399 CG2 VAL A 28 1.967 -5.917 -1.228 1.00 0.00 C ATOM 0 H VAL A 28 4.097 -8.332 -1.137 1.00 0.00 H new ATOM 0 HA VAL A 28 1.922 -7.755 -2.986 1.00 0.00 H new ATOM 0 HB VAL A 28 4.051 -6.262 -1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.439 -4.202 -2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.213 -5.401 -3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.449 -5.167 -3.870 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.109 -4.926 -0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.043 -5.932 -1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.907 -6.656 -0.429 1.00 0.00 H new ATOM 409 N LYS A 29 2.985 -7.723 -5.178 1.00 0.00 N ATOM 410 CA LYS A 29 3.568 -7.852 -6.503 1.00 0.00 C ATOM 411 C LYS A 29 3.825 -6.458 -7.080 1.00 0.00 C ATOM 412 O LYS A 29 4.900 -6.192 -7.614 1.00 0.00 O ATOM 413 CB LYS A 29 2.689 -8.733 -7.392 1.00 0.00 C ATOM 414 CG LYS A 29 3.517 -9.405 -8.489 1.00 0.00 C ATOM 415 CD LYS A 29 2.638 -10.286 -9.378 1.00 0.00 C ATOM 416 CE LYS A 29 3.147 -10.289 -10.821 1.00 0.00 C ATOM 417 NZ LYS A 29 4.440 -11.002 -10.913 1.00 0.00 N ATOM 0 H LYS A 29 1.975 -7.583 -5.169 1.00 0.00 H new ATOM 0 HA LYS A 29 4.532 -8.357 -6.447 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.198 -9.493 -6.785 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.902 -8.129 -7.844 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.008 -8.645 -9.096 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.304 -10.009 -8.037 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.628 -11.305 -8.990 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.610 -9.924 -9.352 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.414 -10.768 -11.470 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.264 -9.264 -11.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.755 -11.024 -11.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.150 -10.509 -10.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.325 -11.975 -10.564 1.00 0.00 H new ATOM 431 N LYS A 30 2.819 -5.605 -6.952 1.00 0.00 N ATOM 432 CA LYS A 30 2.922 -4.246 -7.454 1.00 0.00 C ATOM 433 C LYS A 30 2.365 -3.277 -6.410 1.00 0.00 C ATOM 434 O LYS A 30 1.558 -3.665 -5.566 1.00 0.00 O ATOM 435 CB LYS A 30 2.250 -4.128 -8.823 1.00 0.00 C ATOM 436 CG LYS A 30 2.735 -5.227 -9.770 1.00 0.00 C ATOM 437 CD LYS A 30 3.088 -4.653 -11.143 1.00 0.00 C ATOM 438 CE LYS A 30 2.295 -5.350 -12.250 1.00 0.00 C ATOM 439 NZ LYS A 30 2.975 -6.595 -12.670 1.00 0.00 N ATOM 0 H LYS A 30 1.929 -5.829 -6.508 1.00 0.00 H new ATOM 0 HA LYS A 30 3.966 -3.977 -7.613 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.168 -4.194 -8.708 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.465 -3.150 -9.254 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.608 -5.720 -9.343 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.961 -5.987 -9.878 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.878 -3.584 -11.159 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.156 -4.771 -11.327 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.290 -5.579 -11.896 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.187 -4.682 -13.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.406 -7.073 -13.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.912 -6.365 -13.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.086 -7.224 -11.849 1.00 0.00 H new ATOM 453 N VAL A 31 2.816 -2.035 -6.500 1.00 0.00 N ATOM 454 CA VAL A 31 2.373 -1.008 -5.573 1.00 0.00 C ATOM 455 C VAL A 31 2.523 0.366 -6.231 1.00 0.00 C ATOM 456 O VAL A 31 3.474 0.602 -6.974 1.00 0.00 O ATOM 457 CB VAL A 31 3.140 -1.126 -4.255 1.00 0.00 C ATOM 458 CG1 VAL A 31 4.648 -1.187 -4.502 1.00 0.00 C ATOM 459 CG2 VAL A 31 2.784 0.023 -3.309 1.00 0.00 C ATOM 0 H VAL A 31 3.484 -1.716 -7.201 1.00 0.00 H new ATOM 0 HA VAL A 31 1.318 -1.140 -5.332 1.00 0.00 H new ATOM 0 HB VAL A 31 2.842 -2.058 -3.776 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.170 -1.271 -3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.881 -2.054 -5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.970 -0.280 -5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.343 -0.085 -2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.040 0.973 -3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.716 0.000 -3.095 1.00 0.00 H new ATOM 469 N LYS A 32 1.569 1.236 -5.933 1.00 0.00 N ATOM 470 CA LYS A 32 1.583 2.580 -6.486 1.00 0.00 C ATOM 471 C LYS A 32 0.915 3.540 -5.500 1.00 0.00 C ATOM 472 O LYS A 32 0.249 3.106 -4.560 1.00 0.00 O ATOM 473 CB LYS A 32 0.951 2.592 -7.880 1.00 0.00 C ATOM 474 CG LYS A 32 1.461 3.778 -8.702 1.00 0.00 C ATOM 475 CD LYS A 32 1.060 3.638 -10.172 1.00 0.00 C ATOM 476 CE LYS A 32 1.776 2.455 -10.826 1.00 0.00 C ATOM 477 NZ LYS A 32 2.630 2.919 -11.942 1.00 0.00 N ATOM 0 H LYS A 32 0.782 1.037 -5.316 1.00 0.00 H new ATOM 0 HA LYS A 32 2.608 2.925 -6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.182 1.660 -8.396 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.134 2.646 -7.791 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.057 4.706 -8.298 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.546 3.841 -8.622 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.019 3.501 -10.247 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.303 4.556 -10.708 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.385 1.936 -10.086 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.043 1.738 -11.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.109 2.104 -12.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.041 3.394 -12.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.341 3.586 -11.581 1.00 0.00 H new ATOM 491 N VAL A 33 1.115 4.826 -5.747 1.00 0.00 N ATOM 492 CA VAL A 33 0.541 5.850 -4.892 1.00 0.00 C ATOM 493 C VAL A 33 0.387 7.147 -5.690 1.00 0.00 C ATOM 494 O VAL A 33 1.308 7.562 -6.391 1.00 0.00 O ATOM 495 CB VAL A 33 1.394 6.021 -3.633 1.00 0.00 C ATOM 496 CG1 VAL A 33 1.021 7.304 -2.888 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.272 4.801 -2.719 1.00 0.00 C ATOM 0 H VAL A 33 1.667 5.182 -6.527 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.453 5.554 -4.557 1.00 0.00 H new ATOM 0 HB VAL A 33 2.436 6.105 -3.943 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.642 7.401 -1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.183 8.163 -3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.028 7.263 -2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.888 4.948 -1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.231 4.672 -2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.610 3.912 -3.252 1.00 0.00 H new ATOM 507 N GLN A 34 -0.785 7.751 -5.556 1.00 0.00 N ATOM 508 CA GLN A 34 -1.071 8.991 -6.256 1.00 0.00 C ATOM 509 C GLN A 34 -1.285 10.128 -5.255 1.00 0.00 C ATOM 510 O GLN A 34 -2.184 10.063 -4.419 1.00 0.00 O ATOM 511 CB GLN A 34 -2.285 8.835 -7.175 1.00 0.00 C ATOM 512 CG GLN A 34 -2.035 7.761 -8.236 1.00 0.00 C ATOM 513 CD GLN A 34 -1.888 6.380 -7.593 1.00 0.00 C ATOM 514 OE1 GLN A 34 -0.928 5.661 -7.819 1.00 0.00 O ATOM 515 NE2 GLN A 34 -2.889 6.051 -6.783 1.00 0.00 N ATOM 0 H GLN A 34 -1.547 7.404 -4.973 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.213 9.239 -6.881 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.162 8.570 -6.584 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.503 9.787 -7.660 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.860 7.749 -8.948 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.133 8.003 -8.798 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.662 6.700 -6.638 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.884 5.149 -6.306 1.00 0.00 H new ATOM 524 N LEU A 35 -0.442 11.144 -5.373 1.00 0.00 N ATOM 525 CA LEU A 35 -0.527 12.294 -4.489 1.00 0.00 C ATOM 526 C LEU A 35 -1.825 13.053 -4.770 1.00 0.00 C ATOM 527 O LEU A 35 -2.559 13.400 -3.846 1.00 0.00 O ATOM 528 CB LEU A 35 0.730 13.158 -4.611 1.00 0.00 C ATOM 529 CG LEU A 35 0.945 14.190 -3.502 1.00 0.00 C ATOM 530 CD1 LEU A 35 -0.257 15.130 -3.387 1.00 0.00 C ATOM 531 CD2 LEU A 35 1.267 13.506 -2.172 1.00 0.00 C ATOM 0 H LEU A 35 0.303 11.194 -6.068 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.565 11.972 -3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.598 12.499 -4.640 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.695 13.682 -5.566 1.00 0.00 H new ATOM 0 HG LEU A 35 1.808 14.802 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.078 15.853 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.399 15.656 -4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.151 14.551 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.415 14.262 -1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.440 12.855 -1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.175 12.913 -2.278 1.00 0.00 H new ATOM 543 N LYS A 36 -2.069 13.290 -6.051 1.00 0.00 N ATOM 544 CA LYS A 36 -3.266 14.002 -6.466 1.00 0.00 C ATOM 545 C LYS A 36 -4.432 13.016 -6.564 1.00 0.00 C ATOM 546 O LYS A 36 -5.221 13.074 -7.506 1.00 0.00 O ATOM 547 CB LYS A 36 -3.007 14.779 -7.758 1.00 0.00 C ATOM 548 CG LYS A 36 -3.374 16.255 -7.593 1.00 0.00 C ATOM 549 CD LYS A 36 -2.137 17.095 -7.270 1.00 0.00 C ATOM 550 CE LYS A 36 -2.066 18.333 -8.166 1.00 0.00 C ATOM 551 NZ LYS A 36 -0.943 19.206 -7.755 1.00 0.00 N ATOM 0 H LYS A 36 -1.458 13.001 -6.815 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.542 14.750 -5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.957 14.691 -8.035 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.589 14.345 -8.571 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.839 16.622 -8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.110 16.364 -6.796 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.163 17.400 -6.224 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.239 16.492 -7.404 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.938 18.030 -9.205 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.004 18.885 -8.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.909 20.042 -8.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.082 19.509 -6.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.049 18.681 -7.833 1.00 0.00 H new ATOM 565 N LYS A 37 -4.505 12.134 -5.578 1.00 0.00 N ATOM 566 CA LYS A 37 -5.562 11.138 -5.542 1.00 0.00 C ATOM 567 C LYS A 37 -5.935 10.849 -4.086 1.00 0.00 C ATOM 568 O LYS A 37 -7.105 10.635 -3.772 1.00 0.00 O ATOM 569 CB LYS A 37 -5.151 9.892 -6.330 1.00 0.00 C ATOM 570 CG LYS A 37 -6.320 9.358 -7.160 1.00 0.00 C ATOM 571 CD LYS A 37 -5.972 8.008 -7.791 1.00 0.00 C ATOM 572 CE LYS A 37 -6.253 8.018 -9.295 1.00 0.00 C ATOM 573 NZ LYS A 37 -7.644 7.591 -9.566 1.00 0.00 N ATOM 0 H LYS A 37 -3.849 12.089 -4.798 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.459 11.516 -6.033 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.314 10.132 -6.986 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.806 9.120 -5.642 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.201 9.252 -6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.573 10.074 -7.941 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.921 7.780 -7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.553 7.219 -7.314 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.089 9.019 -9.695 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.556 7.353 -9.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.817 7.604 -10.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.788 6.627 -9.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.305 8.242 -9.095 1.00 0.00 H new ATOM 587 N GLU A 38 -4.918 10.853 -3.236 1.00 0.00 N ATOM 588 CA GLU A 38 -5.125 10.594 -1.822 1.00 0.00 C ATOM 589 C GLU A 38 -5.436 9.113 -1.593 1.00 0.00 C ATOM 590 O GLU A 38 -5.988 8.744 -0.557 1.00 0.00 O ATOM 591 CB GLU A 38 -6.237 11.481 -1.258 1.00 0.00 C ATOM 592 CG GLU A 38 -5.654 12.669 -0.491 1.00 0.00 C ATOM 593 CD GLU A 38 -6.577 13.088 0.656 1.00 0.00 C ATOM 594 OE1 GLU A 38 -7.801 13.143 0.408 1.00 0.00 O ATOM 595 OE2 GLU A 38 -6.038 13.342 1.754 1.00 0.00 O ATOM 0 H GLU A 38 -3.949 11.031 -3.500 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.206 10.839 -1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.867 11.842 -2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.875 10.894 -0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.673 12.405 -0.095 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.508 13.509 -1.170 1.00 0.00 H new ATOM 602 N LYS A 39 -5.069 8.305 -2.576 1.00 0.00 N ATOM 603 CA LYS A 39 -5.302 6.873 -2.495 1.00 0.00 C ATOM 604 C LYS A 39 -4.049 6.130 -2.961 1.00 0.00 C ATOM 605 O LYS A 39 -3.229 6.684 -3.691 1.00 0.00 O ATOM 606 CB LYS A 39 -6.566 6.492 -3.268 1.00 0.00 C ATOM 607 CG LYS A 39 -7.303 7.738 -3.764 1.00 0.00 C ATOM 608 CD LYS A 39 -8.263 8.268 -2.697 1.00 0.00 C ATOM 609 CE LYS A 39 -9.487 7.360 -2.562 1.00 0.00 C ATOM 610 NZ LYS A 39 -10.365 7.493 -3.745 1.00 0.00 N ATOM 0 H LYS A 39 -4.612 8.615 -3.433 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.485 6.574 -1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.301 5.860 -4.116 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.225 5.906 -2.628 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.581 8.512 -4.026 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.858 7.500 -4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.747 8.334 -1.739 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.581 9.277 -2.958 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.168 6.323 -2.454 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.041 7.619 -1.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.306 7.110 -3.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.451 8.497 -4.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.956 6.965 -4.542 1.00 0.00 H new ATOM 624 N ALA A 40 -3.939 4.886 -2.518 1.00 0.00 N ATOM 625 CA ALA A 40 -2.799 4.060 -2.880 1.00 0.00 C ATOM 626 C ALA A 40 -3.297 2.762 -3.518 1.00 0.00 C ATOM 627 O ALA A 40 -4.268 2.169 -3.050 1.00 0.00 O ATOM 628 CB ALA A 40 -1.938 3.808 -1.641 1.00 0.00 C ATOM 0 H ALA A 40 -4.621 4.430 -1.912 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.174 4.569 -3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.083 3.189 -1.912 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.585 4.760 -1.243 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.531 3.296 -0.884 1.00 0.00 H new ATOM 634 N VAL A 41 -2.611 2.359 -4.577 1.00 0.00 N ATOM 635 CA VAL A 41 -2.971 1.142 -5.284 1.00 0.00 C ATOM 636 C VAL A 41 -1.895 0.081 -5.046 1.00 0.00 C ATOM 637 O VAL A 41 -0.703 0.388 -5.054 1.00 0.00 O ATOM 638 CB VAL A 41 -3.194 1.445 -6.767 1.00 0.00 C ATOM 639 CG1 VAL A 41 -3.657 0.195 -7.519 1.00 0.00 C ATOM 640 CG2 VAL A 41 -4.189 2.594 -6.949 1.00 0.00 C ATOM 0 H VAL A 41 -1.807 2.854 -4.963 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.911 0.743 -4.902 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.240 1.757 -7.192 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.808 0.438 -8.571 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.899 -0.584 -7.432 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.594 -0.161 -7.091 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.329 2.789 -8.012 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.145 2.322 -6.501 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.802 3.490 -6.464 1.00 0.00 H new ATOM 650 N VAL A 42 -2.353 -1.145 -4.840 1.00 0.00 N ATOM 651 CA VAL A 42 -1.444 -2.253 -4.600 1.00 0.00 C ATOM 652 C VAL A 42 -2.002 -3.516 -5.257 1.00 0.00 C ATOM 653 O VAL A 42 -3.213 -3.647 -5.431 1.00 0.00 O ATOM 654 CB VAL A 42 -1.203 -2.416 -3.098 1.00 0.00 C ATOM 655 CG1 VAL A 42 -0.153 -3.496 -2.826 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.800 -1.086 -2.459 1.00 0.00 C ATOM 0 H VAL A 42 -3.342 -1.396 -4.834 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.472 -2.055 -5.052 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.140 -2.736 -2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.000 -3.592 -1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.497 -4.448 -3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.787 -3.218 -3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.635 -1.231 -1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.117 -0.723 -2.922 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.595 -0.355 -2.607 1.00 0.00 H new ATOM 666 N LYS A 43 -1.093 -4.416 -5.605 1.00 0.00 N ATOM 667 CA LYS A 43 -1.480 -5.665 -6.239 1.00 0.00 C ATOM 668 C LYS A 43 -0.793 -6.829 -5.523 1.00 0.00 C ATOM 669 O LYS A 43 0.352 -7.161 -5.828 1.00 0.00 O ATOM 670 CB LYS A 43 -1.196 -5.613 -7.741 1.00 0.00 C ATOM 671 CG LYS A 43 -2.087 -6.598 -8.501 1.00 0.00 C ATOM 672 CD LYS A 43 -1.815 -6.534 -10.006 1.00 0.00 C ATOM 673 CE LYS A 43 -1.732 -7.938 -10.608 1.00 0.00 C ATOM 674 NZ LYS A 43 -2.906 -8.203 -11.470 1.00 0.00 N ATOM 0 H LYS A 43 -0.090 -4.305 -5.460 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.555 -5.823 -6.146 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.366 -4.602 -8.112 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.148 -5.848 -7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.908 -7.610 -8.138 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.135 -6.370 -8.307 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.607 -5.969 -10.499 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.882 -6.000 -10.188 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.816 -8.037 -11.191 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.684 -8.680 -9.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.834 -9.160 -11.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.776 -8.129 -10.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.935 -7.506 -12.242 1.00 0.00 H new ATOM 688 N PHE A 44 -1.520 -7.417 -4.585 1.00 0.00 N ATOM 689 CA PHE A 44 -0.995 -8.538 -3.823 1.00 0.00 C ATOM 690 C PHE A 44 -1.985 -9.705 -3.811 1.00 0.00 C ATOM 691 O PHE A 44 -3.081 -9.600 -4.360 1.00 0.00 O ATOM 692 CB PHE A 44 -0.787 -8.046 -2.390 1.00 0.00 C ATOM 693 CG PHE A 44 -1.990 -7.301 -1.807 1.00 0.00 C ATOM 694 CD1 PHE A 44 -2.355 -6.095 -2.317 1.00 0.00 C ATOM 695 CD2 PHE A 44 -2.693 -7.845 -0.778 1.00 0.00 C ATOM 696 CE1 PHE A 44 -3.471 -5.404 -1.776 1.00 0.00 C ATOM 697 CE2 PHE A 44 -3.809 -7.154 -0.237 1.00 0.00 C ATOM 698 CZ PHE A 44 -4.175 -5.948 -0.747 1.00 0.00 C ATOM 0 H PHE A 44 -2.469 -7.138 -4.335 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.066 -8.890 -4.271 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.558 -8.900 -1.753 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.082 -7.388 -2.365 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.796 -5.663 -3.134 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.402 -8.803 -0.372 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.761 -4.446 -2.182 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.367 -7.587 0.580 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.024 -5.422 -0.335 1.00 0.00 H new ATOM 708 N ASP A 45 -1.563 -10.790 -3.179 1.00 0.00 N ATOM 709 CA ASP A 45 -2.399 -11.975 -3.088 1.00 0.00 C ATOM 710 C ASP A 45 -3.149 -11.964 -1.754 1.00 0.00 C ATOM 711 O ASP A 45 -2.551 -11.739 -0.703 1.00 0.00 O ATOM 712 CB ASP A 45 -1.555 -13.250 -3.144 1.00 0.00 C ATOM 713 CG ASP A 45 -2.320 -14.545 -2.864 1.00 0.00 C ATOM 714 OD1 ASP A 45 -3.568 -14.477 -2.860 1.00 0.00 O ATOM 715 OD2 ASP A 45 -1.640 -15.574 -2.661 1.00 0.00 O ATOM 0 H ASP A 45 -0.653 -10.874 -2.725 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.092 -11.963 -3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.098 -13.322 -4.131 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.743 -13.162 -2.422 1.00 0.00 H new ATOM 720 N GLU A 46 -4.449 -12.209 -1.841 1.00 0.00 N ATOM 721 CA GLU A 46 -5.287 -12.230 -0.654 1.00 0.00 C ATOM 722 C GLU A 46 -5.063 -13.524 0.131 1.00 0.00 C ATOM 723 O GLU A 46 -5.299 -13.571 1.337 1.00 0.00 O ATOM 724 CB GLU A 46 -6.762 -12.059 -1.022 1.00 0.00 C ATOM 725 CG GLU A 46 -7.548 -11.443 0.137 1.00 0.00 C ATOM 726 CD GLU A 46 -8.635 -12.400 0.632 1.00 0.00 C ATOM 727 OE1 GLU A 46 -9.654 -12.520 -0.082 1.00 0.00 O ATOM 728 OE2 GLU A 46 -8.423 -12.989 1.714 1.00 0.00 O ATOM 0 H GLU A 46 -4.942 -12.394 -2.715 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.006 -11.390 -0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.849 -11.424 -1.904 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.190 -13.027 -1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.869 -11.204 0.955 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.002 -10.506 -0.184 1.00 0.00 H new ATOM 735 N ALA A 47 -4.611 -14.543 -0.585 1.00 0.00 N ATOM 736 CA ALA A 47 -4.354 -15.834 0.029 1.00 0.00 C ATOM 737 C ALA A 47 -2.940 -15.842 0.615 1.00 0.00 C ATOM 738 O ALA A 47 -2.425 -16.895 0.987 1.00 0.00 O ATOM 739 CB ALA A 47 -4.563 -16.942 -1.005 1.00 0.00 C ATOM 0 H ALA A 47 -4.416 -14.500 -1.585 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.051 -16.016 0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.370 -17.911 -0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.590 -16.911 -1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.878 -16.795 -1.840 1.00 0.00 H new ATOM 745 N ASN A 48 -2.354 -14.656 0.679 1.00 0.00 N ATOM 746 CA ASN A 48 -1.010 -14.513 1.213 1.00 0.00 C ATOM 747 C ASN A 48 -0.965 -13.307 2.153 1.00 0.00 C ATOM 748 O ASN A 48 -0.504 -13.416 3.288 1.00 0.00 O ATOM 749 CB ASN A 48 0.006 -14.277 0.094 1.00 0.00 C ATOM 750 CG ASN A 48 1.162 -15.276 0.183 1.00 0.00 C ATOM 751 OD1 ASN A 48 2.295 -14.928 0.470 1.00 0.00 O ATOM 752 ND2 ASN A 48 0.813 -16.532 -0.078 1.00 0.00 N ATOM 0 H ASN A 48 -2.785 -13.785 0.370 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.758 -15.433 1.741 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.486 -14.370 -0.874 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.394 -13.260 0.158 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.513 -17.273 -0.044 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.155 -16.754 -0.312 1.00 0.00 H new ATOM 759 N VAL A 49 -1.451 -12.183 1.646 1.00 0.00 N ATOM 760 CA VAL A 49 -1.472 -10.957 2.426 1.00 0.00 C ATOM 761 C VAL A 49 -2.836 -10.283 2.271 1.00 0.00 C ATOM 762 O VAL A 49 -3.478 -10.405 1.229 1.00 0.00 O ATOM 763 CB VAL A 49 -0.308 -10.054 2.014 1.00 0.00 C ATOM 764 CG1 VAL A 49 -0.503 -8.632 2.544 1.00 0.00 C ATOM 765 CG2 VAL A 49 1.028 -10.635 2.481 1.00 0.00 C ATOM 0 H VAL A 49 -1.833 -12.096 0.704 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.336 -11.176 3.485 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.290 -10.006 0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.338 -8.011 2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.427 -8.217 2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.560 -8.654 3.632 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.839 -9.974 2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.025 -10.727 3.567 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.173 -11.618 2.034 1.00 0.00 H new ATOM 775 N GLN A 50 -3.239 -9.585 3.323 1.00 0.00 N ATOM 776 CA GLN A 50 -4.515 -8.890 3.317 1.00 0.00 C ATOM 777 C GLN A 50 -4.296 -7.378 3.246 1.00 0.00 C ATOM 778 O GLN A 50 -3.328 -6.861 3.801 1.00 0.00 O ATOM 779 CB GLN A 50 -5.350 -9.267 4.542 1.00 0.00 C ATOM 780 CG GLN A 50 -5.341 -10.780 4.769 1.00 0.00 C ATOM 781 CD GLN A 50 -6.535 -11.445 4.080 1.00 0.00 C ATOM 782 OE1 GLN A 50 -6.417 -12.057 3.031 1.00 0.00 O ATOM 783 NE2 GLN A 50 -7.686 -11.291 4.727 1.00 0.00 N ATOM 0 H GLN A 50 -2.704 -9.486 4.186 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.070 -9.198 2.431 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.957 -8.761 5.424 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.375 -8.922 4.407 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.413 -11.203 4.385 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.369 -10.991 5.838 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.713 -10.766 5.601 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.542 -11.698 4.349 1.00 0.00 H new ATOM 792 N ALA A 51 -5.212 -6.711 2.558 1.00 0.00 N ATOM 793 CA ALA A 51 -5.130 -5.268 2.408 1.00 0.00 C ATOM 794 C ALA A 51 -5.077 -4.617 3.791 1.00 0.00 C ATOM 795 O ALA A 51 -4.269 -3.722 4.029 1.00 0.00 O ATOM 796 CB ALA A 51 -6.316 -4.774 1.576 1.00 0.00 C ATOM 0 H ALA A 51 -6.014 -7.143 2.099 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.220 -4.988 1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.255 -3.692 1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.291 -5.244 0.593 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.247 -5.035 2.079 1.00 0.00 H new ATOM 802 N THR A 52 -5.950 -5.094 4.668 1.00 0.00 N ATOM 803 CA THR A 52 -6.012 -4.569 6.021 1.00 0.00 C ATOM 804 C THR A 52 -4.615 -4.531 6.644 1.00 0.00 C ATOM 805 O THR A 52 -4.260 -3.569 7.323 1.00 0.00 O ATOM 806 CB THR A 52 -7.007 -5.421 6.813 1.00 0.00 C ATOM 807 OG1 THR A 52 -8.109 -4.547 7.040 1.00 0.00 O ATOM 808 CG2 THR A 52 -6.502 -5.758 8.217 1.00 0.00 C ATOM 0 H THR A 52 -6.619 -5.837 4.467 1.00 0.00 H new ATOM 0 HA THR A 52 -6.365 -3.538 6.029 1.00 0.00 H new ATOM 0 HB THR A 52 -7.208 -6.344 6.269 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.802 -5.019 7.546 1.00 0.00 H new ATOM 0 HG21 THR A 52 -7.245 -6.363 8.736 1.00 0.00 H new ATOM 0 HG22 THR A 52 -5.568 -6.315 8.144 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.332 -4.836 8.774 1.00 0.00 H new ATOM 816 N GLU A 53 -3.860 -5.590 6.390 1.00 0.00 N ATOM 817 CA GLU A 53 -2.510 -5.690 6.917 1.00 0.00 C ATOM 818 C GLU A 53 -1.618 -4.611 6.299 1.00 0.00 C ATOM 819 O GLU A 53 -0.830 -3.976 6.999 1.00 0.00 O ATOM 820 CB GLU A 53 -1.929 -7.085 6.676 1.00 0.00 C ATOM 821 CG GLU A 53 -1.544 -7.753 7.998 1.00 0.00 C ATOM 822 CD GLU A 53 -0.160 -7.294 8.462 1.00 0.00 C ATOM 823 OE1 GLU A 53 -0.109 -6.249 9.146 1.00 0.00 O ATOM 824 OE2 GLU A 53 0.815 -7.999 8.122 1.00 0.00 O ATOM 0 H GLU A 53 -4.158 -6.386 5.826 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.549 -5.529 7.994 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.659 -7.702 6.152 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.052 -7.012 6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.285 -7.513 8.760 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.550 -8.836 7.878 1.00 0.00 H new ATOM 831 N ILE A 54 -1.772 -4.436 4.995 1.00 0.00 N ATOM 832 CA ILE A 54 -0.991 -3.445 4.275 1.00 0.00 C ATOM 833 C ILE A 54 -1.291 -2.055 4.841 1.00 0.00 C ATOM 834 O ILE A 54 -0.393 -1.224 4.965 1.00 0.00 O ATOM 835 CB ILE A 54 -1.234 -3.561 2.769 1.00 0.00 C ATOM 836 CG1 ILE A 54 -0.678 -4.878 2.224 1.00 0.00 C ATOM 837 CG2 ILE A 54 -0.668 -2.349 2.027 1.00 0.00 C ATOM 838 CD1 ILE A 54 -1.134 -5.110 0.781 1.00 0.00 C ATOM 0 H ILE A 54 -2.427 -4.964 4.418 1.00 0.00 H new ATOM 0 HA ILE A 54 0.075 -3.624 4.417 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.310 -3.570 2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.411 -4.863 2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.010 -5.705 2.852 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.854 -2.457 0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.151 -1.442 2.390 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.406 -2.283 2.203 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.725 -6.053 0.417 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.223 -5.149 0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.779 -4.294 0.152 1.00 0.00 H new ATOM 850 N CYS A 55 -2.557 -1.847 5.170 1.00 0.00 N ATOM 851 CA CYS A 55 -2.987 -0.572 5.720 1.00 0.00 C ATOM 852 C CYS A 55 -2.232 -0.335 7.029 1.00 0.00 C ATOM 853 O CYS A 55 -1.765 0.774 7.288 1.00 0.00 O ATOM 854 CB CYS A 55 -4.503 -0.525 5.920 1.00 0.00 C ATOM 855 SG CYS A 55 -5.240 0.743 4.825 1.00 0.00 S ATOM 0 H CYS A 55 -3.299 -2.539 5.067 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.754 0.228 5.017 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.937 -1.501 5.703 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.734 -0.297 6.961 1.00 0.00 H new ATOM 0 HG CYS A 55 -5.555 0.202 3.685 1.00 0.00 H new ATOM 861 N GLN A 56 -2.135 -1.393 7.820 1.00 0.00 N ATOM 862 CA GLN A 56 -1.444 -1.314 9.095 1.00 0.00 C ATOM 863 C GLN A 56 0.004 -0.865 8.888 1.00 0.00 C ATOM 864 O GLN A 56 0.537 -0.089 9.679 1.00 0.00 O ATOM 865 CB GLN A 56 -1.503 -2.651 9.835 1.00 0.00 C ATOM 866 CG GLN A 56 -1.828 -2.445 11.316 1.00 0.00 C ATOM 867 CD GLN A 56 -0.613 -2.755 12.193 1.00 0.00 C ATOM 868 OE1 GLN A 56 -0.265 -3.899 12.435 1.00 0.00 O ATOM 869 NE2 GLN A 56 0.011 -1.674 12.653 1.00 0.00 N ATOM 0 H GLN A 56 -2.524 -2.310 7.602 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.949 -0.572 9.713 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.259 -3.290 9.379 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.548 -3.167 9.737 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.148 -1.416 11.482 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.661 -3.088 11.602 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.334 -0.745 12.412 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.834 -1.774 13.247 1.00 0.00 H new ATOM 878 N ALA A 57 0.600 -1.374 7.819 1.00 0.00 N ATOM 879 CA ALA A 57 1.976 -1.035 7.497 1.00 0.00 C ATOM 880 C ALA A 57 2.069 0.459 7.180 1.00 0.00 C ATOM 881 O ALA A 57 3.053 1.110 7.526 1.00 0.00 O ATOM 882 CB ALA A 57 2.458 -1.908 6.337 1.00 0.00 C ATOM 0 H ALA A 57 0.155 -2.018 7.165 1.00 0.00 H new ATOM 0 HA ALA A 57 2.629 -1.232 8.347 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.490 -1.654 6.095 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.400 -2.958 6.623 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.828 -1.735 5.465 1.00 0.00 H new ATOM 888 N ILE A 58 1.030 0.958 6.526 1.00 0.00 N ATOM 889 CA ILE A 58 0.982 2.363 6.159 1.00 0.00 C ATOM 890 C ILE A 58 0.835 3.211 7.424 1.00 0.00 C ATOM 891 O ILE A 58 1.640 4.109 7.670 1.00 0.00 O ATOM 892 CB ILE A 58 -0.117 2.608 5.123 1.00 0.00 C ATOM 893 CG1 ILE A 58 0.276 2.034 3.760 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.468 4.095 5.038 1.00 0.00 C ATOM 895 CD1 ILE A 58 -0.948 1.489 3.021 1.00 0.00 C ATOM 0 H ILE A 58 0.215 0.414 6.241 1.00 0.00 H new ATOM 0 HA ILE A 58 1.913 2.664 5.679 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.015 2.082 5.447 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.753 2.808 3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.009 1.238 3.894 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.251 4.242 4.295 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.820 4.442 6.010 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.417 4.662 4.749 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.641 1.087 2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.408 0.698 3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.668 2.293 2.867 1.00 0.00 H new ATOM 907 N ASN A 59 -0.197 2.897 8.192 1.00 0.00 N ATOM 908 CA ASN A 59 -0.459 3.620 9.425 1.00 0.00 C ATOM 909 C ASN A 59 0.732 3.455 10.371 1.00 0.00 C ATOM 910 O ASN A 59 1.000 4.328 11.195 1.00 0.00 O ATOM 911 CB ASN A 59 -1.702 3.072 10.130 1.00 0.00 C ATOM 912 CG ASN A 59 -2.951 3.860 9.730 1.00 0.00 C ATOM 913 OD1 ASN A 59 -2.893 4.841 9.007 1.00 0.00 O ATOM 914 ND2 ASN A 59 -4.081 3.377 10.239 1.00 0.00 N ATOM 0 H ASN A 59 -0.862 2.152 7.985 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.619 4.669 9.174 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.834 2.020 9.876 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.565 3.125 11.210 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.970 3.832 10.031 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.059 2.551 10.838 1.00 0.00 H new ATOM 921 N GLU A 60 1.415 2.330 10.220 1.00 0.00 N ATOM 922 CA GLU A 60 2.572 2.040 11.050 1.00 0.00 C ATOM 923 C GLU A 60 3.673 3.074 10.806 1.00 0.00 C ATOM 924 O GLU A 60 4.641 3.145 11.562 1.00 0.00 O ATOM 925 CB GLU A 60 3.086 0.621 10.798 1.00 0.00 C ATOM 926 CG GLU A 60 4.287 0.306 11.692 1.00 0.00 C ATOM 927 CD GLU A 60 4.735 -1.146 11.517 1.00 0.00 C ATOM 928 OE1 GLU A 60 3.902 -2.035 11.797 1.00 0.00 O ATOM 929 OE2 GLU A 60 5.900 -1.335 11.106 1.00 0.00 O ATOM 0 H GLU A 60 1.190 1.608 9.535 1.00 0.00 H new ATOM 0 HA GLU A 60 2.269 2.101 12.095 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.289 -0.097 10.988 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.369 0.514 9.751 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.111 0.976 11.449 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.026 0.487 12.735 1.00 0.00 H new ATOM 936 N LEU A 61 3.489 3.849 9.748 1.00 0.00 N ATOM 937 CA LEU A 61 4.454 4.876 9.395 1.00 0.00 C ATOM 938 C LEU A 61 4.171 6.139 10.211 1.00 0.00 C ATOM 939 O LEU A 61 4.872 6.427 11.179 1.00 0.00 O ATOM 940 CB LEU A 61 4.460 5.109 7.883 1.00 0.00 C ATOM 941 CG LEU A 61 4.510 3.853 7.011 1.00 0.00 C ATOM 942 CD1 LEU A 61 4.317 4.203 5.534 1.00 0.00 C ATOM 943 CD2 LEU A 61 5.803 3.070 7.250 1.00 0.00 C ATOM 0 H LEU A 61 2.685 3.786 9.123 1.00 0.00 H new ATOM 0 HA LEU A 61 5.464 4.553 9.648 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.567 5.675 7.619 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.318 5.734 7.635 1.00 0.00 H new ATOM 0 HG LEU A 61 3.683 3.204 7.299 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.357 3.292 4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.349 4.685 5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.108 4.882 5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.813 2.182 6.618 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.659 3.699 7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.859 2.771 8.297 1.00 0.00 H new ATOM 955 N GLY A 62 3.142 6.859 9.789 1.00 0.00 N ATOM 956 CA GLY A 62 2.757 8.084 10.468 1.00 0.00 C ATOM 957 C GLY A 62 1.700 8.846 9.668 1.00 0.00 C ATOM 958 O GLY A 62 1.731 10.074 9.602 1.00 0.00 O ATOM 0 H GLY A 62 2.563 6.617 8.985 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.368 7.848 11.459 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.634 8.715 10.612 1.00 0.00 H new ATOM 962 N TYR A 63 0.788 8.087 9.078 1.00 0.00 N ATOM 963 CA TYR A 63 -0.277 8.675 8.284 1.00 0.00 C ATOM 964 C TYR A 63 -1.574 7.876 8.429 1.00 0.00 C ATOM 965 O TYR A 63 -1.605 6.855 9.113 1.00 0.00 O ATOM 966 CB TYR A 63 0.192 8.604 6.830 1.00 0.00 C ATOM 967 CG TYR A 63 1.714 8.591 6.667 1.00 0.00 C ATOM 968 CD1 TYR A 63 2.458 9.690 7.045 1.00 0.00 C ATOM 969 CD2 TYR A 63 2.342 7.480 6.142 1.00 0.00 C ATOM 970 CE1 TYR A 63 3.889 9.678 6.892 1.00 0.00 C ATOM 971 CE2 TYR A 63 3.774 7.468 5.988 1.00 0.00 C ATOM 972 CZ TYR A 63 4.477 8.568 6.371 1.00 0.00 C ATOM 973 OH TYR A 63 5.829 8.556 6.226 1.00 0.00 O ATOM 0 H TYR A 63 0.765 7.069 9.134 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.479 9.696 8.608 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.220 7.706 6.369 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.214 9.457 6.286 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.966 10.559 7.456 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.760 6.620 5.847 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.483 10.532 7.184 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.278 6.605 5.578 1.00 0.00 H new ATOM 0 HH TYR A 63 6.109 7.699 5.843 1.00 0.00 H new ATOM 983 N GLN A 64 -2.613 8.372 7.773 1.00 0.00 N ATOM 984 CA GLN A 64 -3.909 7.718 7.820 1.00 0.00 C ATOM 985 C GLN A 64 -4.195 7.010 6.494 1.00 0.00 C ATOM 986 O GLN A 64 -4.000 7.585 5.424 1.00 0.00 O ATOM 987 CB GLN A 64 -5.017 8.718 8.157 1.00 0.00 C ATOM 988 CG GLN A 64 -5.928 8.177 9.261 1.00 0.00 C ATOM 989 CD GLN A 64 -5.703 8.928 10.574 1.00 0.00 C ATOM 990 OE1 GLN A 64 -4.650 8.860 11.187 1.00 0.00 O ATOM 991 NE2 GLN A 64 -6.749 9.648 10.971 1.00 0.00 N ATOM 0 H GLN A 64 -2.583 9.219 7.206 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.887 6.970 8.612 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.575 9.662 8.476 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.606 8.927 7.264 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.970 8.273 8.957 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.735 7.114 9.408 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.601 9.661 10.411 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.699 10.187 11.836 1.00 0.00 H new ATOM 1000 N ALA A 65 -4.651 5.771 6.607 1.00 0.00 N ATOM 1001 CA ALA A 65 -4.965 4.979 5.431 1.00 0.00 C ATOM 1002 C ALA A 65 -6.202 4.123 5.713 1.00 0.00 C ATOM 1003 O ALA A 65 -6.483 3.792 6.863 1.00 0.00 O ATOM 1004 CB ALA A 65 -3.749 4.135 5.043 1.00 0.00 C ATOM 0 H ALA A 65 -4.810 5.296 7.496 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.197 5.625 4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.985 3.541 4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.906 4.790 4.824 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.488 3.472 5.868 1.00 0.00 H new ATOM 1010 N GLU A 66 -6.908 3.789 4.642 1.00 0.00 N ATOM 1011 CA GLU A 66 -8.107 2.978 4.760 1.00 0.00 C ATOM 1012 C GLU A 66 -8.376 2.234 3.450 1.00 0.00 C ATOM 1013 O GLU A 66 -8.301 2.822 2.372 1.00 0.00 O ATOM 1014 CB GLU A 66 -9.310 3.834 5.161 1.00 0.00 C ATOM 1015 CG GLU A 66 -9.772 3.500 6.581 1.00 0.00 C ATOM 1016 CD GLU A 66 -11.024 2.620 6.558 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -12.011 3.054 5.926 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -10.965 1.533 7.172 1.00 0.00 O ATOM 0 H GLU A 66 -6.672 4.066 3.689 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.948 2.241 5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.046 4.890 5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.128 3.669 4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.973 2.987 7.116 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.980 4.421 7.125 1.00 0.00 H new ATOM 1025 N VAL A 67 -8.683 0.953 3.587 1.00 0.00 N ATOM 1026 CA VAL A 67 -8.964 0.123 2.428 1.00 0.00 C ATOM 1027 C VAL A 67 -10.289 0.560 1.801 1.00 0.00 C ATOM 1028 O VAL A 67 -11.259 0.822 2.511 1.00 0.00 O ATOM 1029 CB VAL A 67 -8.950 -1.354 2.826 1.00 0.00 C ATOM 1030 CG1 VAL A 67 -9.376 -2.242 1.655 1.00 0.00 C ATOM 1031 CG2 VAL A 67 -7.574 -1.767 3.354 1.00 0.00 C ATOM 0 H VAL A 67 -8.743 0.469 4.483 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.189 0.250 1.672 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.673 -1.490 3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.357 -3.287 1.965 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.386 -1.974 1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.689 -2.099 0.821 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.592 -2.821 3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.824 -1.607 2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.325 -1.167 4.229 1.00 0.00 H new ATOM 1041 N ILE A 68 -10.288 0.626 0.478 1.00 0.00 N ATOM 1042 CA ILE A 68 -11.479 1.027 -0.253 1.00 0.00 C ATOM 1043 C ILE A 68 -11.554 0.246 -1.566 1.00 0.00 C ATOM 1044 O ILE A 68 -12.642 -0.030 -2.067 1.00 0.00 O ATOM 1045 CB ILE A 68 -11.507 2.545 -0.438 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -12.011 3.243 0.827 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -12.327 2.932 -1.670 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -10.843 3.696 1.705 1.00 0.00 C ATOM 0 H ILE A 68 -9.481 0.409 -0.107 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.376 0.781 0.316 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.486 2.886 -0.609 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.620 4.104 0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.652 2.565 1.390 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -12.331 4.017 -1.779 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -11.885 2.480 -2.558 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.350 2.576 -1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.229 4.189 2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.250 2.829 1.997 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.217 4.393 1.147 1.00 0.00 H new