USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=11 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 -88:sc= -0.223 USER MOD Set 1.2: A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= -4.36! C(o=-4.4!,f=-7.7!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 142:sc= -1.61! (180deg=-3.55!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0.0499 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 HIS : no HE2:sc= -7.84! C(o=-7.8!,f=-11!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.32) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -118:sc= 0 (180deg=-1.09) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.202 K(o=-0.2,f=-2.7!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 101:sc= -6.91! USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.0271 K(o=-0.027,f=-9.6!) USER MOD Single : A 64 GLN : amide:sc= -0.0177 X(o=-0.018,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 -7.360 -4.342 -4.030 1.00 0.00 N ATOM 12 CA GLN A 2 -8.080 -3.368 -3.227 1.00 0.00 C ATOM 13 C GLN A 2 -7.216 -2.126 -2.997 1.00 0.00 C ATOM 14 O GLN A 2 -6.040 -2.239 -2.653 1.00 0.00 O ATOM 15 CB GLN A 2 -8.528 -3.977 -1.897 1.00 0.00 C ATOM 16 CG GLN A 2 -9.008 -2.893 -0.930 1.00 0.00 C ATOM 17 CD GLN A 2 -10.489 -3.076 -0.593 1.00 0.00 C ATOM 18 OE1 GLN A 2 -10.857 -3.532 0.478 1.00 0.00 O ATOM 19 NE2 GLN A 2 -11.316 -2.696 -1.563 1.00 0.00 N ATOM 0 HA GLN A 2 -8.975 -3.068 -3.772 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -9.331 -4.693 -2.073 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -7.701 -4.529 -1.449 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.416 -2.929 -0.015 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -8.851 -1.910 -1.373 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.942 -2.322 -2.435 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.325 -2.778 -1.435 1.00 0.00 H new ATOM 28 N GLU A 3 -7.832 -0.970 -3.197 1.00 0.00 N ATOM 29 CA GLU A 3 -7.134 0.291 -3.016 1.00 0.00 C ATOM 30 C GLU A 3 -7.380 0.837 -1.608 1.00 0.00 C ATOM 31 O GLU A 3 -8.331 0.434 -0.940 1.00 0.00 O ATOM 32 CB GLU A 3 -7.553 1.307 -4.080 1.00 0.00 C ATOM 33 CG GLU A 3 -8.946 1.867 -3.784 1.00 0.00 C ATOM 34 CD GLU A 3 -9.703 2.168 -5.080 1.00 0.00 C ATOM 35 OE1 GLU A 3 -10.096 1.187 -5.748 1.00 0.00 O ATOM 36 OE2 GLU A 3 -9.871 3.371 -5.372 1.00 0.00 O ATOM 0 H GLU A 3 -8.807 -0.881 -3.483 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.065 0.112 -3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.830 2.122 -4.115 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.548 0.834 -5.062 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.510 1.151 -3.187 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -8.857 2.777 -3.191 1.00 0.00 H new ATOM 43 N PHE A 4 -6.507 1.746 -1.199 1.00 0.00 N ATOM 44 CA PHE A 4 -6.617 2.351 0.117 1.00 0.00 C ATOM 45 C PHE A 4 -6.391 3.863 0.046 1.00 0.00 C ATOM 46 O PHE A 4 -5.669 4.346 -0.825 1.00 0.00 O ATOM 47 CB PHE A 4 -5.528 1.725 0.990 1.00 0.00 C ATOM 48 CG PHE A 4 -5.113 0.318 0.554 1.00 0.00 C ATOM 49 CD1 PHE A 4 -6.050 -0.660 0.432 1.00 0.00 C ATOM 50 CD2 PHE A 4 -3.807 0.046 0.289 1.00 0.00 C ATOM 51 CE1 PHE A 4 -5.665 -1.965 0.027 1.00 0.00 C ATOM 52 CE2 PHE A 4 -3.422 -1.260 -0.115 1.00 0.00 C ATOM 53 CZ PHE A 4 -4.359 -2.238 -0.238 1.00 0.00 C ATOM 0 H PHE A 4 -5.720 2.078 -1.756 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.613 2.178 0.524 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.651 2.372 0.978 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.881 1.686 2.021 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -7.087 -0.444 0.643 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.063 0.823 0.386 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.409 -2.741 -0.071 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.385 -1.477 -0.325 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.066 -3.231 -0.546 1.00 0.00 H new ATOM 63 N SER A 5 -7.022 4.567 0.974 1.00 0.00 N ATOM 64 CA SER A 5 -6.898 6.014 1.027 1.00 0.00 C ATOM 65 C SER A 5 -5.856 6.412 2.075 1.00 0.00 C ATOM 66 O SER A 5 -5.892 5.929 3.206 1.00 0.00 O ATOM 67 CB SER A 5 -8.244 6.670 1.342 1.00 0.00 C ATOM 68 OG SER A 5 -8.086 7.932 1.986 1.00 0.00 O ATOM 0 H SER A 5 -7.620 4.163 1.695 1.00 0.00 H new ATOM 0 HA SER A 5 -6.572 6.366 0.048 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.808 6.802 0.418 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.829 6.008 1.980 1.00 0.00 H new ATOM 0 HG SER A 5 -8.968 8.319 2.169 1.00 0.00 H new ATOM 74 N VAL A 6 -4.953 7.288 1.661 1.00 0.00 N ATOM 75 CA VAL A 6 -3.902 7.756 2.549 1.00 0.00 C ATOM 76 C VAL A 6 -4.276 9.137 3.090 1.00 0.00 C ATOM 77 O VAL A 6 -4.742 9.996 2.342 1.00 0.00 O ATOM 78 CB VAL A 6 -2.557 7.743 1.821 1.00 0.00 C ATOM 79 CG1 VAL A 6 -1.526 8.599 2.559 1.00 0.00 C ATOM 80 CG2 VAL A 6 -2.049 6.313 1.632 1.00 0.00 C ATOM 0 H VAL A 6 -4.927 7.686 0.722 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.799 7.088 3.404 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.707 8.178 0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.579 8.573 2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.882 9.628 2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.382 8.207 3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.091 6.333 1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.923 5.840 2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.770 5.746 1.043 1.00 0.00 H new ATOM 90 N LYS A 7 -4.058 9.309 4.386 1.00 0.00 N ATOM 91 CA LYS A 7 -4.367 10.571 5.036 1.00 0.00 C ATOM 92 C LYS A 7 -3.211 10.959 5.961 1.00 0.00 C ATOM 93 O LYS A 7 -2.383 10.120 6.311 1.00 0.00 O ATOM 94 CB LYS A 7 -5.721 10.493 5.743 1.00 0.00 C ATOM 95 CG LYS A 7 -6.748 11.400 5.063 1.00 0.00 C ATOM 96 CD LYS A 7 -8.175 10.977 5.420 1.00 0.00 C ATOM 97 CE LYS A 7 -9.100 12.192 5.513 1.00 0.00 C ATOM 98 NZ LYS A 7 -10.250 11.902 6.398 1.00 0.00 N ATOM 0 H LYS A 7 -3.671 8.595 5.003 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.466 11.366 4.297 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.079 9.464 5.737 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.607 10.785 6.787 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.584 12.434 5.368 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.613 11.362 3.982 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.552 10.285 4.667 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.173 10.443 6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.546 13.049 5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.457 12.461 4.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.867 12.737 6.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.787 11.097 6.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.905 11.667 7.350 1.00 0.00 H new ATOM 112 N GLY A 8 -3.192 12.232 6.330 1.00 0.00 N ATOM 113 CA GLY A 8 -2.152 12.741 7.207 1.00 0.00 C ATOM 114 C GLY A 8 -0.869 13.030 6.426 1.00 0.00 C ATOM 115 O GLY A 8 0.026 13.712 6.924 1.00 0.00 O ATOM 0 H GLY A 8 -3.880 12.925 6.037 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.497 13.652 7.696 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.947 12.015 7.994 1.00 0.00 H new ATOM 119 N MET A 9 -0.819 12.497 5.214 1.00 0.00 N ATOM 120 CA MET A 9 0.340 12.690 4.359 1.00 0.00 C ATOM 121 C MET A 9 0.519 14.167 4.001 1.00 0.00 C ATOM 122 O MET A 9 -0.460 14.900 3.871 1.00 0.00 O ATOM 123 CB MET A 9 0.170 11.871 3.077 1.00 0.00 C ATOM 124 CG MET A 9 1.364 10.938 2.860 1.00 0.00 C ATOM 125 SD MET A 9 1.862 10.973 1.147 1.00 0.00 S ATOM 126 CE MET A 9 0.322 10.519 0.367 1.00 0.00 C ATOM 0 H MET A 9 -1.562 11.932 4.804 1.00 0.00 H new ATOM 0 HA MET A 9 1.226 12.357 4.900 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.748 11.286 3.134 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.068 12.541 2.224 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.195 11.244 3.495 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.099 9.921 3.150 1.00 0.00 H new ATOM 0 HE1 MET A 9 0.198 11.089 -0.554 1.00 0.00 H new ATOM 0 HE2 MET A 9 0.332 9.454 0.136 1.00 0.00 H new ATOM 0 HE3 MET A 9 -0.506 10.736 1.042 1.00 0.00 H new ATOM 136 N SER A 10 1.775 14.559 3.853 1.00 0.00 N ATOM 137 CA SER A 10 2.095 15.935 3.513 1.00 0.00 C ATOM 138 C SER A 10 3.323 15.977 2.601 1.00 0.00 C ATOM 139 O SER A 10 3.945 17.026 2.440 1.00 0.00 O ATOM 140 CB SER A 10 2.340 16.770 4.772 1.00 0.00 C ATOM 141 OG SER A 10 3.638 16.549 5.315 1.00 0.00 O ATOM 0 H SER A 10 2.584 13.948 3.962 1.00 0.00 H new ATOM 0 HA SER A 10 1.244 16.364 2.985 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.222 17.827 4.534 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.587 16.525 5.521 1.00 0.00 H new ATOM 0 HG SER A 10 3.756 17.101 6.116 1.00 0.00 H new ATOM 147 N CYS A 11 3.635 14.824 2.028 1.00 0.00 N ATOM 148 CA CYS A 11 4.777 14.716 1.137 1.00 0.00 C ATOM 149 C CYS A 11 6.003 14.337 1.970 1.00 0.00 C ATOM 150 O CYS A 11 5.930 13.449 2.819 1.00 0.00 O ATOM 151 CB CYS A 11 5.001 16.007 0.346 1.00 0.00 C ATOM 152 SG CYS A 11 5.939 15.648 -1.183 1.00 0.00 S ATOM 0 H CYS A 11 3.116 13.956 2.164 1.00 0.00 H new ATOM 0 HA CYS A 11 4.590 13.940 0.395 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.042 16.461 0.096 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.546 16.727 0.956 1.00 0.00 H new ATOM 0 HG CYS A 11 6.122 16.750 -1.849 1.00 0.00 H new ATOM 158 N ASN A 12 7.100 15.028 1.699 1.00 0.00 N ATOM 159 CA ASN A 12 8.340 14.775 2.413 1.00 0.00 C ATOM 160 C ASN A 12 8.860 13.384 2.046 1.00 0.00 C ATOM 161 O ASN A 12 9.676 12.812 2.767 1.00 0.00 O ATOM 162 CB ASN A 12 8.121 14.814 3.927 1.00 0.00 C ATOM 163 CG ASN A 12 8.713 16.087 4.534 1.00 0.00 C ATOM 164 OD1 ASN A 12 9.842 16.120 4.994 1.00 0.00 O ATOM 165 ND2 ASN A 12 7.889 17.131 4.510 1.00 0.00 N ATOM 0 H ASN A 12 7.156 15.763 0.994 1.00 0.00 H new ATOM 0 HA ASN A 12 9.055 15.548 2.132 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.054 14.765 4.145 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.581 13.939 4.387 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.190 18.028 4.892 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.956 17.035 4.110 1.00 0.00 H new ATOM 172 N HIS A 13 8.366 12.879 0.924 1.00 0.00 N ATOM 173 CA HIS A 13 8.771 11.566 0.453 1.00 0.00 C ATOM 174 C HIS A 13 7.867 10.498 1.071 1.00 0.00 C ATOM 175 O HIS A 13 8.245 9.330 1.150 1.00 0.00 O ATOM 176 CB HIS A 13 10.255 11.322 0.733 1.00 0.00 C ATOM 177 CG HIS A 13 10.516 10.377 1.881 1.00 0.00 C ATOM 178 ND1 HIS A 13 9.732 10.349 3.022 1.00 0.00 N ATOM 179 CD2 HIS A 13 11.479 9.427 2.052 1.00 0.00 C ATOM 180 CE1 HIS A 13 10.213 9.420 3.836 1.00 0.00 C ATOM 181 NE2 HIS A 13 11.296 8.851 3.234 1.00 0.00 N ATOM 0 H HIS A 13 7.689 13.356 0.328 1.00 0.00 H new ATOM 0 HA HIS A 13 8.652 11.511 -0.629 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.723 10.922 -0.167 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.736 12.277 0.945 1.00 0.00 H new ATOM 0 HD1 HIS A 13 8.923 10.942 3.205 1.00 0.00 H new ATOM 0 HD2 HIS A 13 12.259 9.184 1.345 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.816 9.159 4.806 1.00 0.00 H new ATOM 189 N CYS A 14 6.691 10.936 1.495 1.00 0.00 N ATOM 190 CA CYS A 14 5.730 10.032 2.104 1.00 0.00 C ATOM 191 C CYS A 14 5.254 9.046 1.035 1.00 0.00 C ATOM 192 O CYS A 14 5.264 7.835 1.254 1.00 0.00 O ATOM 193 CB CYS A 14 4.564 10.791 2.740 1.00 0.00 C ATOM 194 SG CYS A 14 5.023 11.347 4.422 1.00 0.00 S ATOM 0 H CYS A 14 6.381 11.906 1.429 1.00 0.00 H new ATOM 0 HA CYS A 14 6.207 9.484 2.916 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.299 11.650 2.124 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.684 10.149 2.788 1.00 0.00 H new ATOM 0 HG CYS A 14 4.735 10.414 5.281 1.00 0.00 H new ATOM 200 N VAL A 15 4.848 9.600 -0.098 1.00 0.00 N ATOM 201 CA VAL A 15 4.369 8.785 -1.201 1.00 0.00 C ATOM 202 C VAL A 15 5.350 7.636 -1.443 1.00 0.00 C ATOM 203 O VAL A 15 4.943 6.481 -1.560 1.00 0.00 O ATOM 204 CB VAL A 15 4.151 9.656 -2.439 1.00 0.00 C ATOM 205 CG1 VAL A 15 4.230 8.820 -3.718 1.00 0.00 C ATOM 206 CG2 VAL A 15 2.819 10.404 -2.355 1.00 0.00 C ATOM 0 H VAL A 15 4.841 10.604 -0.276 1.00 0.00 H new ATOM 0 HA VAL A 15 3.403 8.342 -0.958 1.00 0.00 H new ATOM 0 HB VAL A 15 4.950 10.397 -2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.072 9.463 -4.584 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.213 8.354 -3.788 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.462 8.047 -3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.688 11.016 -3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.002 9.686 -2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.816 11.044 -1.473 1.00 0.00 H new ATOM 216 N ALA A 16 6.625 7.993 -1.512 1.00 0.00 N ATOM 217 CA ALA A 16 7.667 7.006 -1.739 1.00 0.00 C ATOM 218 C ALA A 16 7.728 6.052 -0.544 1.00 0.00 C ATOM 219 O ALA A 16 7.567 4.843 -0.703 1.00 0.00 O ATOM 220 CB ALA A 16 8.999 7.718 -1.985 1.00 0.00 C ATOM 0 H ALA A 16 6.959 8.952 -1.415 1.00 0.00 H new ATOM 0 HA ALA A 16 7.446 6.411 -2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.781 6.978 -2.155 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.911 8.361 -2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.255 8.322 -1.115 1.00 0.00 H new ATOM 226 N ARG A 17 7.961 6.631 0.624 1.00 0.00 N ATOM 227 CA ARG A 17 8.045 5.847 1.845 1.00 0.00 C ATOM 228 C ARG A 17 6.902 4.833 1.904 1.00 0.00 C ATOM 229 O ARG A 17 7.127 3.652 2.164 1.00 0.00 O ATOM 230 CB ARG A 17 7.986 6.745 3.082 1.00 0.00 C ATOM 231 CG ARG A 17 9.200 6.517 3.984 1.00 0.00 C ATOM 232 CD ARG A 17 9.185 5.107 4.578 1.00 0.00 C ATOM 233 NE ARG A 17 9.712 5.134 5.960 1.00 0.00 N ATOM 234 CZ ARG A 17 11.016 5.105 6.267 1.00 0.00 C ATOM 235 NH1 ARG A 17 11.933 5.048 5.292 1.00 0.00 N ATOM 236 NH2 ARG A 17 11.403 5.133 7.550 1.00 0.00 N ATOM 0 H ARG A 17 8.094 7.634 0.751 1.00 0.00 H new ATOM 0 HA ARG A 17 9.000 5.322 1.837 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.948 7.790 2.775 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.071 6.543 3.639 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.116 6.664 3.411 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.204 7.254 4.787 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.169 4.713 4.575 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.788 4.438 3.963 1.00 0.00 H new ATOM 0 HE ARG A 17 9.041 5.177 6.727 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.639 5.027 4.316 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.926 5.026 5.526 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.705 5.176 8.292 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.396 5.111 7.784 1.00 0.00 H new ATOM 250 N ILE A 18 5.699 5.330 1.658 1.00 0.00 N ATOM 251 CA ILE A 18 4.519 4.482 1.680 1.00 0.00 C ATOM 252 C ILE A 18 4.641 3.417 0.589 1.00 0.00 C ATOM 253 O ILE A 18 4.555 2.223 0.869 1.00 0.00 O ATOM 254 CB ILE A 18 3.249 5.328 1.574 1.00 0.00 C ATOM 255 CG1 ILE A 18 3.124 6.281 2.765 1.00 0.00 C ATOM 256 CG2 ILE A 18 2.011 4.442 1.418 1.00 0.00 C ATOM 257 CD1 ILE A 18 1.849 7.121 2.664 1.00 0.00 C ATOM 0 H ILE A 18 5.516 6.310 1.442 1.00 0.00 H new ATOM 0 HA ILE A 18 4.446 3.957 2.632 1.00 0.00 H new ATOM 0 HB ILE A 18 3.322 5.941 0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.115 5.710 3.693 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.994 6.937 2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.122 5.069 1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.106 3.840 0.514 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.922 3.786 2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.785 7.789 3.523 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.873 7.710 1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.980 6.463 2.651 1.00 0.00 H new ATOM 269 N GLU A 19 4.840 3.888 -0.634 1.00 0.00 N ATOM 270 CA GLU A 19 4.975 2.991 -1.769 1.00 0.00 C ATOM 271 C GLU A 19 5.994 1.893 -1.459 1.00 0.00 C ATOM 272 O GLU A 19 5.692 0.707 -1.585 1.00 0.00 O ATOM 273 CB GLU A 19 5.365 3.761 -3.032 1.00 0.00 C ATOM 274 CG GLU A 19 6.081 2.849 -4.031 1.00 0.00 C ATOM 275 CD GLU A 19 7.592 2.854 -3.792 1.00 0.00 C ATOM 276 OE1 GLU A 19 8.161 3.967 -3.781 1.00 0.00 O ATOM 277 OE2 GLU A 19 8.144 1.745 -3.626 1.00 0.00 O ATOM 0 H GLU A 19 4.911 4.879 -0.863 1.00 0.00 H new ATOM 0 HA GLU A 19 4.009 2.521 -1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.473 4.184 -3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.013 4.596 -2.767 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.698 1.833 -3.940 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.869 3.180 -5.048 1.00 0.00 H new ATOM 284 N GLU A 20 7.181 2.327 -1.060 1.00 0.00 N ATOM 285 CA GLU A 20 8.246 1.395 -0.731 1.00 0.00 C ATOM 286 C GLU A 20 7.867 0.567 0.498 1.00 0.00 C ATOM 287 O GLU A 20 8.001 -0.656 0.493 1.00 0.00 O ATOM 288 CB GLU A 20 9.569 2.131 -0.510 1.00 0.00 C ATOM 289 CG GLU A 20 10.759 1.243 -0.877 1.00 0.00 C ATOM 290 CD GLU A 20 12.083 1.973 -0.639 1.00 0.00 C ATOM 291 OE1 GLU A 20 12.602 1.852 0.492 1.00 0.00 O ATOM 292 OE2 GLU A 20 12.545 2.635 -1.593 1.00 0.00 O ATOM 0 H GLU A 20 7.428 3.311 -0.957 1.00 0.00 H new ATOM 0 HA GLU A 20 8.381 0.717 -1.573 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.589 3.039 -1.113 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.648 2.439 0.533 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.732 0.329 -0.284 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.686 0.946 -1.923 1.00 0.00 H new ATOM 299 N ALA A 21 7.400 1.266 1.522 1.00 0.00 N ATOM 300 CA ALA A 21 7.001 0.611 2.756 1.00 0.00 C ATOM 301 C ALA A 21 5.928 -0.436 2.448 1.00 0.00 C ATOM 302 O ALA A 21 5.873 -1.482 3.092 1.00 0.00 O ATOM 303 CB ALA A 21 6.520 1.661 3.759 1.00 0.00 C ATOM 0 H ALA A 21 7.289 2.280 1.522 1.00 0.00 H new ATOM 0 HA ALA A 21 7.847 0.093 3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.221 1.170 4.685 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.327 2.363 3.966 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.669 2.199 3.342 1.00 0.00 H new ATOM 309 N VAL A 22 5.102 -0.117 1.462 1.00 0.00 N ATOM 310 CA VAL A 22 4.034 -1.017 1.061 1.00 0.00 C ATOM 311 C VAL A 22 4.626 -2.184 0.268 1.00 0.00 C ATOM 312 O VAL A 22 4.136 -3.309 0.354 1.00 0.00 O ATOM 313 CB VAL A 22 2.966 -0.247 0.281 1.00 0.00 C ATOM 314 CG1 VAL A 22 2.065 -1.202 -0.504 1.00 0.00 C ATOM 315 CG2 VAL A 22 2.141 0.643 1.214 1.00 0.00 C ATOM 0 H VAL A 22 5.151 0.752 0.929 1.00 0.00 H new ATOM 0 HA VAL A 22 3.540 -1.436 1.937 1.00 0.00 H new ATOM 0 HB VAL A 22 3.474 0.398 -0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.315 -0.629 -1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.668 -1.774 -1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.569 -1.884 0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.389 1.179 0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.648 0.025 1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.797 1.359 1.708 1.00 0.00 H new ATOM 325 N GLY A 23 5.673 -1.876 -0.484 1.00 0.00 N ATOM 326 CA GLY A 23 6.337 -2.885 -1.291 1.00 0.00 C ATOM 327 C GLY A 23 7.120 -3.863 -0.411 1.00 0.00 C ATOM 328 O GLY A 23 7.695 -4.829 -0.909 1.00 0.00 O ATOM 0 H GLY A 23 6.077 -0.942 -0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.598 -3.430 -1.878 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.014 -2.404 -1.997 1.00 0.00 H new ATOM 332 N ARG A 24 7.116 -3.577 0.883 1.00 0.00 N ATOM 333 CA ARG A 24 7.818 -4.419 1.837 1.00 0.00 C ATOM 334 C ARG A 24 6.898 -5.534 2.339 1.00 0.00 C ATOM 335 O ARG A 24 7.364 -6.515 2.916 1.00 0.00 O ATOM 336 CB ARG A 24 8.316 -3.601 3.031 1.00 0.00 C ATOM 337 CG ARG A 24 8.678 -4.512 4.206 1.00 0.00 C ATOM 338 CD ARG A 24 9.630 -3.806 5.174 1.00 0.00 C ATOM 339 NE ARG A 24 10.420 -4.806 5.926 1.00 0.00 N ATOM 340 CZ ARG A 24 11.381 -4.495 6.807 1.00 0.00 C ATOM 341 NH1 ARG A 24 11.677 -3.211 7.051 1.00 0.00 N ATOM 342 NH2 ARG A 24 12.046 -5.469 7.444 1.00 0.00 N ATOM 0 H ARG A 24 6.638 -2.774 1.293 1.00 0.00 H new ATOM 0 HA ARG A 24 8.677 -4.855 1.326 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.188 -3.016 2.738 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.546 -2.893 3.338 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.771 -4.809 4.733 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.143 -5.425 3.833 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.297 -3.143 4.623 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.063 -3.184 5.866 1.00 0.00 H new ATOM 0 HE ARG A 24 10.221 -5.793 5.764 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.171 -2.470 6.566 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.408 -2.975 7.722 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.821 -6.446 7.258 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.777 -5.233 8.115 1.00 0.00 H new ATOM 356 N ILE A 25 5.609 -5.345 2.101 1.00 0.00 N ATOM 357 CA ILE A 25 4.619 -6.323 2.522 1.00 0.00 C ATOM 358 C ILE A 25 4.838 -7.627 1.752 1.00 0.00 C ATOM 359 O ILE A 25 4.566 -7.698 0.555 1.00 0.00 O ATOM 360 CB ILE A 25 3.207 -5.753 2.377 1.00 0.00 C ATOM 361 CG1 ILE A 25 3.058 -4.451 3.167 1.00 0.00 C ATOM 362 CG2 ILE A 25 2.154 -6.789 2.774 1.00 0.00 C ATOM 363 CD1 ILE A 25 2.058 -3.511 2.491 1.00 0.00 C ATOM 0 H ILE A 25 5.227 -4.530 1.622 1.00 0.00 H new ATOM 0 HA ILE A 25 4.737 -6.553 3.581 1.00 0.00 H new ATOM 0 HB ILE A 25 3.041 -5.513 1.327 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.726 -4.673 4.181 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.027 -3.959 3.250 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.159 -6.358 2.662 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.245 -7.665 2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.307 -7.084 3.812 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.971 -2.593 3.073 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.406 -3.272 1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.084 -3.997 2.432 1.00 0.00 H new ATOM 375 N SER A 26 5.327 -8.627 2.471 1.00 0.00 N ATOM 376 CA SER A 26 5.585 -9.924 1.871 1.00 0.00 C ATOM 377 C SER A 26 4.299 -10.484 1.260 1.00 0.00 C ATOM 378 O SER A 26 3.468 -11.052 1.967 1.00 0.00 O ATOM 379 CB SER A 26 6.154 -10.904 2.899 1.00 0.00 C ATOM 380 OG SER A 26 6.676 -12.079 2.286 1.00 0.00 O ATOM 0 H SER A 26 5.551 -8.564 3.464 1.00 0.00 H new ATOM 0 HA SER A 26 6.327 -9.794 1.083 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.942 -10.413 3.470 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.373 -11.181 3.607 1.00 0.00 H new ATOM 0 HG SER A 26 7.031 -12.678 2.976 1.00 0.00 H new ATOM 386 N GLY A 27 4.174 -10.303 -0.046 1.00 0.00 N ATOM 387 CA GLY A 27 3.003 -10.783 -0.760 1.00 0.00 C ATOM 388 C GLY A 27 2.561 -9.779 -1.826 1.00 0.00 C ATOM 389 O GLY A 27 1.761 -10.108 -2.700 1.00 0.00 O ATOM 0 H GLY A 27 4.865 -9.830 -0.629 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.226 -11.742 -1.228 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.188 -10.954 -0.056 1.00 0.00 H new ATOM 393 N VAL A 28 3.103 -8.574 -1.720 1.00 0.00 N ATOM 394 CA VAL A 28 2.775 -7.520 -2.664 1.00 0.00 C ATOM 395 C VAL A 28 3.653 -7.664 -3.908 1.00 0.00 C ATOM 396 O VAL A 28 4.869 -7.818 -3.800 1.00 0.00 O ATOM 397 CB VAL A 28 2.911 -6.153 -1.991 1.00 0.00 C ATOM 398 CG1 VAL A 28 2.960 -5.032 -3.031 1.00 0.00 C ATOM 399 CG2 VAL A 28 1.780 -5.921 -0.987 1.00 0.00 C ATOM 0 H VAL A 28 3.767 -8.305 -0.994 1.00 0.00 H new ATOM 0 HA VAL A 28 1.737 -7.606 -2.987 1.00 0.00 H new ATOM 0 HB VAL A 28 3.853 -6.142 -1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.057 -4.071 -2.526 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.815 -5.184 -3.689 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.043 -5.042 -3.620 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.901 -4.942 -0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.821 -5.962 -1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.812 -6.693 -0.218 1.00 0.00 H new ATOM 409 N LYS A 29 3.004 -7.608 -5.062 1.00 0.00 N ATOM 410 CA LYS A 29 3.711 -7.730 -6.325 1.00 0.00 C ATOM 411 C LYS A 29 3.946 -6.336 -6.911 1.00 0.00 C ATOM 412 O LYS A 29 5.054 -6.016 -7.336 1.00 0.00 O ATOM 413 CB LYS A 29 2.964 -8.676 -7.268 1.00 0.00 C ATOM 414 CG LYS A 29 3.943 -9.535 -8.072 1.00 0.00 C ATOM 415 CD LYS A 29 3.256 -10.152 -9.292 1.00 0.00 C ATOM 416 CE LYS A 29 3.669 -9.431 -10.577 1.00 0.00 C ATOM 417 NZ LYS A 29 2.634 -9.599 -11.621 1.00 0.00 N ATOM 0 H LYS A 29 1.996 -7.480 -5.148 1.00 0.00 H new ATOM 0 HA LYS A 29 4.692 -8.180 -6.170 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.299 -9.319 -6.692 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.338 -8.098 -7.948 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.787 -8.925 -8.395 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.345 -10.325 -7.438 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.515 -11.208 -9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.174 -10.097 -9.171 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.820 -8.371 -10.374 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.620 -9.826 -10.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.930 -9.104 -12.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.509 -10.611 -11.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.734 -9.201 -11.285 1.00 0.00 H new ATOM 431 N LYS A 30 2.883 -5.545 -6.914 1.00 0.00 N ATOM 432 CA LYS A 30 2.959 -4.192 -7.440 1.00 0.00 C ATOM 433 C LYS A 30 2.295 -3.228 -6.455 1.00 0.00 C ATOM 434 O LYS A 30 1.310 -3.579 -5.806 1.00 0.00 O ATOM 435 CB LYS A 30 2.371 -4.133 -8.851 1.00 0.00 C ATOM 436 CG LYS A 30 2.535 -5.473 -9.571 1.00 0.00 C ATOM 437 CD LYS A 30 2.067 -5.376 -11.024 1.00 0.00 C ATOM 438 CE LYS A 30 3.142 -4.736 -11.905 1.00 0.00 C ATOM 439 NZ LYS A 30 2.541 -3.731 -12.810 1.00 0.00 N ATOM 0 H LYS A 30 1.965 -5.815 -6.561 1.00 0.00 H new ATOM 0 HA LYS A 30 3.998 -3.879 -7.539 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.314 -3.872 -8.798 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.865 -3.347 -9.422 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.580 -5.780 -9.542 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.963 -6.241 -9.051 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.828 -6.371 -11.400 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.151 -4.787 -11.076 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.899 -4.264 -11.279 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.646 -5.505 -12.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.285 -3.307 -13.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.835 -4.191 -13.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.080 -2.988 -12.247 1.00 0.00 H new ATOM 453 N VAL A 31 2.859 -2.033 -6.375 1.00 0.00 N ATOM 454 CA VAL A 31 2.334 -1.016 -5.480 1.00 0.00 C ATOM 455 C VAL A 31 2.595 0.368 -6.078 1.00 0.00 C ATOM 456 O VAL A 31 3.624 0.588 -6.716 1.00 0.00 O ATOM 457 CB VAL A 31 2.934 -1.186 -4.083 1.00 0.00 C ATOM 458 CG1 VAL A 31 4.453 -1.361 -4.157 1.00 0.00 C ATOM 459 CG2 VAL A 31 2.561 -0.011 -3.178 1.00 0.00 C ATOM 0 H VAL A 31 3.675 -1.745 -6.915 1.00 0.00 H new ATOM 0 HA VAL A 31 1.255 -1.125 -5.371 1.00 0.00 H new ATOM 0 HB VAL A 31 2.513 -2.091 -3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.855 -1.480 -3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.689 -2.245 -4.749 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.898 -0.482 -4.624 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.001 -0.158 -2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.940 0.915 -3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.476 0.048 -3.087 1.00 0.00 H new ATOM 469 N LYS A 32 1.647 1.265 -5.850 1.00 0.00 N ATOM 470 CA LYS A 32 1.762 2.621 -6.358 1.00 0.00 C ATOM 471 C LYS A 32 0.930 3.561 -5.484 1.00 0.00 C ATOM 472 O LYS A 32 0.120 3.109 -4.676 1.00 0.00 O ATOM 473 CB LYS A 32 1.391 2.671 -7.842 1.00 0.00 C ATOM 474 CG LYS A 32 2.068 3.853 -8.537 1.00 0.00 C ATOM 475 CD LYS A 32 2.080 3.663 -10.056 1.00 0.00 C ATOM 476 CE LYS A 32 1.974 5.007 -10.778 1.00 0.00 C ATOM 477 NZ LYS A 32 2.888 5.044 -11.941 1.00 0.00 N ATOM 0 H LYS A 32 0.796 1.079 -5.320 1.00 0.00 H new ATOM 0 HA LYS A 32 2.795 2.963 -6.300 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.688 1.741 -8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.309 2.754 -7.947 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.544 4.775 -8.286 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.090 3.958 -8.172 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.998 3.157 -10.355 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.251 3.021 -10.352 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.948 5.169 -11.109 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.218 5.816 -10.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.803 5.963 -12.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.867 4.911 -11.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.637 4.284 -12.605 1.00 0.00 H new ATOM 491 N VAL A 33 1.157 4.853 -5.676 1.00 0.00 N ATOM 492 CA VAL A 33 0.438 5.860 -4.915 1.00 0.00 C ATOM 493 C VAL A 33 0.308 7.132 -5.756 1.00 0.00 C ATOM 494 O VAL A 33 1.283 7.589 -6.350 1.00 0.00 O ATOM 495 CB VAL A 33 1.135 6.099 -3.573 1.00 0.00 C ATOM 496 CG1 VAL A 33 0.408 7.172 -2.761 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.255 4.797 -2.779 1.00 0.00 C ATOM 0 H VAL A 33 1.829 5.225 -6.348 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.571 5.517 -4.685 1.00 0.00 H new ATOM 0 HB VAL A 33 2.143 6.460 -3.778 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.924 7.322 -1.813 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.398 8.107 -3.321 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.616 6.852 -2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.754 4.994 -1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.260 4.394 -2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.837 4.074 -3.351 1.00 0.00 H new ATOM 507 N GLN A 34 -0.904 7.666 -5.778 1.00 0.00 N ATOM 508 CA GLN A 34 -1.174 8.876 -6.536 1.00 0.00 C ATOM 509 C GLN A 34 -1.406 10.055 -5.590 1.00 0.00 C ATOM 510 O GLN A 34 -2.297 10.010 -4.743 1.00 0.00 O ATOM 511 CB GLN A 34 -2.368 8.681 -7.473 1.00 0.00 C ATOM 512 CG GLN A 34 -2.072 7.609 -8.523 1.00 0.00 C ATOM 513 CD GLN A 34 -1.079 8.123 -9.568 1.00 0.00 C ATOM 514 OE1 GLN A 34 -1.205 9.216 -10.096 1.00 0.00 O ATOM 515 NE2 GLN A 34 -0.088 7.278 -9.835 1.00 0.00 N ATOM 0 H GLN A 34 -1.710 7.283 -5.283 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.303 9.097 -7.152 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.246 8.395 -6.894 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.605 9.623 -7.967 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.667 6.721 -8.037 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.998 7.309 -9.013 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.042 6.378 -9.357 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.626 7.529 -10.518 1.00 0.00 H new ATOM 524 N LEU A 35 -0.590 11.084 -5.765 1.00 0.00 N ATOM 525 CA LEU A 35 -0.695 12.273 -4.936 1.00 0.00 C ATOM 526 C LEU A 35 -2.014 12.986 -5.242 1.00 0.00 C ATOM 527 O LEU A 35 -2.754 13.346 -4.328 1.00 0.00 O ATOM 528 CB LEU A 35 0.539 13.160 -5.113 1.00 0.00 C ATOM 529 CG LEU A 35 0.614 14.392 -4.208 1.00 0.00 C ATOM 530 CD1 LEU A 35 1.439 14.101 -2.953 1.00 0.00 C ATOM 531 CD2 LEU A 35 1.147 15.604 -4.976 1.00 0.00 C ATOM 0 H LEU A 35 0.147 11.119 -6.469 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.715 12.002 -3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.427 12.552 -4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.577 13.493 -6.150 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.396 14.637 -3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.476 14.993 -2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.978 13.286 -2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.451 13.817 -3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.191 16.466 -4.310 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.146 15.385 -5.353 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.484 15.825 -5.813 1.00 0.00 H new ATOM 543 N LYS A 36 -2.266 13.169 -6.529 1.00 0.00 N ATOM 544 CA LYS A 36 -3.483 13.833 -6.966 1.00 0.00 C ATOM 545 C LYS A 36 -4.620 12.812 -7.034 1.00 0.00 C ATOM 546 O LYS A 36 -5.397 12.805 -7.987 1.00 0.00 O ATOM 547 CB LYS A 36 -3.245 14.576 -8.282 1.00 0.00 C ATOM 548 CG LYS A 36 -2.808 13.611 -9.386 1.00 0.00 C ATOM 549 CD LYS A 36 -1.349 13.851 -9.779 1.00 0.00 C ATOM 550 CE LYS A 36 -1.066 13.321 -11.186 1.00 0.00 C ATOM 551 NZ LYS A 36 0.247 13.804 -11.668 1.00 0.00 N ATOM 0 H LYS A 36 -1.649 12.869 -7.284 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.781 14.595 -6.245 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.158 15.090 -8.584 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.481 15.340 -8.139 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.932 12.583 -9.045 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.449 13.737 -10.259 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.128 14.918 -9.737 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.690 13.361 -9.062 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.079 12.231 -11.180 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.852 13.645 -11.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.423 13.435 -12.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.247 14.844 -11.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.996 13.473 -11.026 1.00 0.00 H new ATOM 565 N LYS A 37 -4.682 11.974 -6.009 1.00 0.00 N ATOM 566 CA LYS A 37 -5.711 10.951 -5.940 1.00 0.00 C ATOM 567 C LYS A 37 -6.090 10.713 -4.477 1.00 0.00 C ATOM 568 O LYS A 37 -7.259 10.492 -4.163 1.00 0.00 O ATOM 569 CB LYS A 37 -5.259 9.686 -6.672 1.00 0.00 C ATOM 570 CG LYS A 37 -6.407 9.080 -7.481 1.00 0.00 C ATOM 571 CD LYS A 37 -5.934 7.864 -8.281 1.00 0.00 C ATOM 572 CE LYS A 37 -5.973 8.147 -9.784 1.00 0.00 C ATOM 573 NZ LYS A 37 -4.835 9.006 -10.180 1.00 0.00 N ATOM 0 H LYS A 37 -4.036 11.983 -5.220 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.613 11.283 -6.453 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.428 9.923 -7.336 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.893 8.956 -5.951 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.214 8.786 -6.810 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.814 9.830 -8.159 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.919 7.601 -7.983 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.566 7.006 -8.052 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.938 7.209 -10.338 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.912 8.635 -10.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.194 9.903 -10.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.240 9.199 -9.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.270 8.520 -10.905 1.00 0.00 H new ATOM 587 N GLU A 38 -5.080 10.766 -3.621 1.00 0.00 N ATOM 588 CA GLU A 38 -5.293 10.558 -2.199 1.00 0.00 C ATOM 589 C GLU A 38 -5.609 9.088 -1.918 1.00 0.00 C ATOM 590 O GLU A 38 -6.381 8.777 -1.013 1.00 0.00 O ATOM 591 CB GLU A 38 -6.405 11.468 -1.673 1.00 0.00 C ATOM 592 CG GLU A 38 -5.823 12.673 -0.932 1.00 0.00 C ATOM 593 CD GLU A 38 -6.751 13.123 0.198 1.00 0.00 C ATOM 594 OE1 GLU A 38 -7.977 13.137 -0.046 1.00 0.00 O ATOM 595 OE2 GLU A 38 -6.214 13.443 1.280 1.00 0.00 O ATOM 0 H GLU A 38 -4.112 10.950 -3.885 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.375 10.818 -1.672 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.022 11.811 -2.503 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.055 10.904 -1.004 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.846 12.416 -0.524 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.670 13.495 -1.631 1.00 0.00 H new ATOM 602 N LYS A 39 -4.995 8.222 -2.711 1.00 0.00 N ATOM 603 CA LYS A 39 -5.201 6.792 -2.559 1.00 0.00 C ATOM 604 C LYS A 39 -3.947 6.048 -3.025 1.00 0.00 C ATOM 605 O LYS A 39 -3.131 6.601 -3.760 1.00 0.00 O ATOM 606 CB LYS A 39 -6.478 6.355 -3.279 1.00 0.00 C ATOM 607 CG LYS A 39 -6.961 7.439 -4.245 1.00 0.00 C ATOM 608 CD LYS A 39 -8.218 6.987 -4.992 1.00 0.00 C ATOM 609 CE LYS A 39 -9.400 7.909 -4.683 1.00 0.00 C ATOM 610 NZ LYS A 39 -10.467 7.739 -5.694 1.00 0.00 N ATOM 0 H LYS A 39 -4.355 8.483 -3.461 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.352 6.538 -1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.293 5.431 -3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.257 6.141 -2.547 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.171 8.355 -3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.172 7.671 -4.960 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.026 6.983 -6.065 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.466 5.964 -4.708 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.792 7.687 -3.691 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.066 8.946 -4.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.262 8.372 -5.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.093 7.973 -6.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.797 6.753 -5.688 1.00 0.00 H new ATOM 624 N ALA A 40 -3.834 4.806 -2.578 1.00 0.00 N ATOM 625 CA ALA A 40 -2.694 3.981 -2.940 1.00 0.00 C ATOM 626 C ALA A 40 -3.193 2.657 -3.523 1.00 0.00 C ATOM 627 O ALA A 40 -4.084 2.023 -2.961 1.00 0.00 O ATOM 628 CB ALA A 40 -1.801 3.778 -1.714 1.00 0.00 C ATOM 0 H ALA A 40 -4.513 4.351 -1.968 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.092 4.472 -3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.946 3.159 -1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.450 4.746 -1.356 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.371 3.285 -0.927 1.00 0.00 H new ATOM 634 N VAL A 41 -2.596 2.280 -4.644 1.00 0.00 N ATOM 635 CA VAL A 41 -2.968 1.043 -5.310 1.00 0.00 C ATOM 636 C VAL A 41 -1.970 -0.054 -4.934 1.00 0.00 C ATOM 637 O VAL A 41 -0.781 0.213 -4.770 1.00 0.00 O ATOM 638 CB VAL A 41 -3.065 1.270 -6.820 1.00 0.00 C ATOM 639 CG1 VAL A 41 -1.688 1.560 -7.420 1.00 0.00 C ATOM 640 CG2 VAL A 41 -3.726 0.077 -7.513 1.00 0.00 C ATOM 0 H VAL A 41 -1.858 2.809 -5.108 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.953 0.714 -4.980 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.694 2.144 -6.988 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.785 1.718 -8.494 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.271 2.455 -6.958 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.025 0.714 -7.236 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.782 0.265 -8.585 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.136 -0.821 -7.332 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.731 -0.063 -7.116 1.00 0.00 H new ATOM 650 N VAL A 42 -2.492 -1.266 -4.808 1.00 0.00 N ATOM 651 CA VAL A 42 -1.661 -2.404 -4.454 1.00 0.00 C ATOM 652 C VAL A 42 -2.184 -3.653 -5.167 1.00 0.00 C ATOM 653 O VAL A 42 -3.393 -3.835 -5.302 1.00 0.00 O ATOM 654 CB VAL A 42 -1.611 -2.563 -2.933 1.00 0.00 C ATOM 655 CG1 VAL A 42 -0.854 -3.832 -2.538 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.993 -1.328 -2.273 1.00 0.00 C ATOM 0 H VAL A 42 -3.479 -1.484 -4.945 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.635 -2.245 -4.785 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.635 -2.659 -2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.834 -3.920 -1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.355 -4.702 -2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.167 -3.780 -2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.969 -1.467 -1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.022 -1.187 -2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.592 -0.449 -2.513 1.00 0.00 H new ATOM 666 N LYS A 43 -1.247 -4.480 -5.606 1.00 0.00 N ATOM 667 CA LYS A 43 -1.598 -5.706 -6.303 1.00 0.00 C ATOM 668 C LYS A 43 -0.903 -6.889 -5.626 1.00 0.00 C ATOM 669 O LYS A 43 0.180 -7.298 -6.042 1.00 0.00 O ATOM 670 CB LYS A 43 -1.287 -5.582 -7.796 1.00 0.00 C ATOM 671 CG LYS A 43 -2.249 -6.431 -8.629 1.00 0.00 C ATOM 672 CD LYS A 43 -2.083 -6.142 -10.122 1.00 0.00 C ATOM 673 CE LYS A 43 -3.426 -5.787 -10.765 1.00 0.00 C ATOM 674 NZ LYS A 43 -3.954 -6.939 -11.530 1.00 0.00 N ATOM 0 H LYS A 43 -0.245 -4.325 -5.493 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.671 -5.887 -6.239 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.360 -4.538 -8.101 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.261 -5.898 -7.985 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.066 -7.488 -8.437 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.276 -6.225 -8.327 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.381 -5.320 -10.261 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.657 -7.013 -10.619 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.140 -5.497 -9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.304 -4.929 -11.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.865 -6.682 -11.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.279 -7.198 -12.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.089 -7.748 -10.890 1.00 0.00 H new ATOM 688 N PHE A 44 -1.554 -7.406 -4.595 1.00 0.00 N ATOM 689 CA PHE A 44 -1.012 -8.534 -3.857 1.00 0.00 C ATOM 690 C PHE A 44 -1.968 -9.727 -3.899 1.00 0.00 C ATOM 691 O PHE A 44 -3.036 -9.651 -4.504 1.00 0.00 O ATOM 692 CB PHE A 44 -0.845 -8.080 -2.405 1.00 0.00 C ATOM 693 CG PHE A 44 -2.145 -7.615 -1.745 1.00 0.00 C ATOM 694 CD1 PHE A 44 -2.688 -6.415 -2.085 1.00 0.00 C ATOM 695 CD2 PHE A 44 -2.756 -8.401 -0.819 1.00 0.00 C ATOM 696 CE1 PHE A 44 -3.894 -5.984 -1.473 1.00 0.00 C ATOM 697 CE2 PHE A 44 -3.963 -7.969 -0.207 1.00 0.00 C ATOM 698 CZ PHE A 44 -4.506 -6.770 -0.547 1.00 0.00 C ATOM 0 H PHE A 44 -2.452 -7.065 -4.253 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.065 -8.846 -4.297 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.428 -8.902 -1.824 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.121 -7.266 -2.371 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.202 -5.791 -2.820 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.324 -9.353 -0.549 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.326 -5.032 -1.743 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.449 -8.593 0.528 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.424 -6.442 -0.082 1.00 0.00 H new ATOM 708 N ASP A 45 -1.550 -10.803 -3.247 1.00 0.00 N ATOM 709 CA ASP A 45 -2.356 -12.011 -3.203 1.00 0.00 C ATOM 710 C ASP A 45 -3.164 -12.032 -1.904 1.00 0.00 C ATOM 711 O ASP A 45 -2.623 -11.783 -0.828 1.00 0.00 O ATOM 712 CB ASP A 45 -1.476 -13.262 -3.232 1.00 0.00 C ATOM 713 CG ASP A 45 -2.199 -14.569 -2.900 1.00 0.00 C ATOM 714 OD1 ASP A 45 -3.440 -14.583 -3.041 1.00 0.00 O ATOM 715 OD2 ASP A 45 -1.493 -15.525 -2.513 1.00 0.00 O ATOM 0 H ASP A 45 -0.664 -10.863 -2.745 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.011 -12.011 -4.074 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.031 -13.352 -4.223 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.657 -13.128 -2.526 1.00 0.00 H new ATOM 720 N GLU A 46 -4.447 -12.331 -2.047 1.00 0.00 N ATOM 721 CA GLU A 46 -5.335 -12.388 -0.898 1.00 0.00 C ATOM 722 C GLU A 46 -5.094 -13.674 -0.104 1.00 0.00 C ATOM 723 O GLU A 46 -5.390 -13.735 1.088 1.00 0.00 O ATOM 724 CB GLU A 46 -6.798 -12.277 -1.330 1.00 0.00 C ATOM 725 CG GLU A 46 -7.668 -11.746 -0.189 1.00 0.00 C ATOM 726 CD GLU A 46 -8.203 -10.349 -0.510 1.00 0.00 C ATOM 727 OE1 GLU A 46 -8.859 -10.221 -1.566 1.00 0.00 O ATOM 728 OE2 GLU A 46 -7.942 -9.440 0.307 1.00 0.00 O ATOM 0 H GLU A 46 -4.893 -12.536 -2.941 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.116 -11.538 -0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.877 -11.614 -2.191 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.163 -13.254 -1.646 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.501 -12.427 -0.015 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.086 -11.713 0.732 1.00 0.00 H new ATOM 735 N ALA A 47 -4.561 -14.669 -0.798 1.00 0.00 N ATOM 736 CA ALA A 47 -4.277 -15.949 -0.172 1.00 0.00 C ATOM 737 C ALA A 47 -2.894 -15.898 0.480 1.00 0.00 C ATOM 738 O ALA A 47 -2.345 -16.931 0.861 1.00 0.00 O ATOM 739 CB ALA A 47 -4.389 -17.063 -1.215 1.00 0.00 C ATOM 0 H ALA A 47 -4.318 -14.615 -1.787 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.003 -16.162 0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.176 -18.023 -0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.398 -17.076 -1.626 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.673 -16.884 -2.017 1.00 0.00 H new ATOM 745 N ASN A 48 -2.371 -14.686 0.589 1.00 0.00 N ATOM 746 CA ASN A 48 -1.062 -14.486 1.188 1.00 0.00 C ATOM 747 C ASN A 48 -1.136 -13.333 2.190 1.00 0.00 C ATOM 748 O ASN A 48 -0.745 -13.484 3.347 1.00 0.00 O ATOM 749 CB ASN A 48 -0.020 -14.126 0.128 1.00 0.00 C ATOM 750 CG ASN A 48 1.190 -15.060 0.209 1.00 0.00 C ATOM 751 OD1 ASN A 48 2.269 -14.685 0.636 1.00 0.00 O ATOM 752 ND2 ASN A 48 0.950 -16.294 -0.225 1.00 0.00 N ATOM 0 H ASN A 48 -2.830 -13.832 0.273 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.770 -15.415 1.679 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.468 -14.190 -0.864 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.303 -13.094 0.266 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.693 -16.992 -0.213 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.023 -16.542 -0.570 1.00 0.00 H new ATOM 759 N VAL A 49 -1.639 -12.205 1.710 1.00 0.00 N ATOM 760 CA VAL A 49 -1.769 -11.026 2.550 1.00 0.00 C ATOM 761 C VAL A 49 -3.151 -10.404 2.338 1.00 0.00 C ATOM 762 O VAL A 49 -3.802 -10.659 1.326 1.00 0.00 O ATOM 763 CB VAL A 49 -0.625 -10.052 2.263 1.00 0.00 C ATOM 764 CG1 VAL A 49 -0.918 -8.672 2.857 1.00 0.00 C ATOM 765 CG2 VAL A 49 0.706 -10.601 2.782 1.00 0.00 C ATOM 0 H VAL A 49 -1.961 -12.082 0.750 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.692 -11.296 3.603 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.543 -9.941 1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.089 -7.999 2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.834 -8.274 2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.040 -8.759 3.937 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.503 -9.889 2.565 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.641 -10.755 3.859 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.924 -11.550 2.292 1.00 0.00 H new ATOM 775 N GLN A 50 -3.557 -9.600 3.309 1.00 0.00 N ATOM 776 CA GLN A 50 -4.850 -8.940 3.242 1.00 0.00 C ATOM 777 C GLN A 50 -4.667 -7.428 3.097 1.00 0.00 C ATOM 778 O GLN A 50 -3.709 -6.862 3.622 1.00 0.00 O ATOM 779 CB GLN A 50 -5.701 -9.274 4.469 1.00 0.00 C ATOM 780 CG GLN A 50 -5.655 -10.772 4.777 1.00 0.00 C ATOM 781 CD GLN A 50 -6.536 -11.559 3.805 1.00 0.00 C ATOM 782 OE1 GLN A 50 -7.306 -11.005 3.038 1.00 0.00 O ATOM 783 NE2 GLN A 50 -6.380 -12.877 3.880 1.00 0.00 N ATOM 0 H GLN A 50 -3.014 -9.390 4.146 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.379 -9.309 2.363 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.341 -8.711 5.330 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.732 -8.966 4.296 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.627 -11.129 4.712 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.989 -10.947 5.800 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.717 -13.275 4.545 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.923 -13.490 3.272 1.00 0.00 H new ATOM 792 N ALA A 51 -5.600 -6.817 2.382 1.00 0.00 N ATOM 793 CA ALA A 51 -5.554 -5.381 2.161 1.00 0.00 C ATOM 794 C ALA A 51 -5.495 -4.664 3.511 1.00 0.00 C ATOM 795 O ALA A 51 -4.693 -3.750 3.698 1.00 0.00 O ATOM 796 CB ALA A 51 -6.762 -4.954 1.326 1.00 0.00 C ATOM 0 H ALA A 51 -6.393 -7.290 1.948 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.659 -5.107 1.603 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.727 -3.877 1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.741 -5.470 0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.679 -5.210 1.856 1.00 0.00 H new ATOM 802 N THR A 52 -6.355 -5.105 4.418 1.00 0.00 N ATOM 803 CA THR A 52 -6.411 -4.516 5.745 1.00 0.00 C ATOM 804 C THR A 52 -5.013 -4.466 6.366 1.00 0.00 C ATOM 805 O THR A 52 -4.639 -3.470 6.982 1.00 0.00 O ATOM 806 CB THR A 52 -7.416 -5.316 6.575 1.00 0.00 C ATOM 807 OG1 THR A 52 -7.747 -4.445 7.654 1.00 0.00 O ATOM 808 CG2 THR A 52 -6.780 -6.529 7.257 1.00 0.00 C ATOM 0 H THR A 52 -7.019 -5.863 4.260 1.00 0.00 H new ATOM 0 HA THR A 52 -6.751 -3.481 5.704 1.00 0.00 H new ATOM 0 HB THR A 52 -8.233 -5.648 5.934 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.396 -4.885 8.242 1.00 0.00 H new ATOM 0 HG21 THR A 52 -7.537 -7.061 7.833 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.364 -7.195 6.501 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.985 -6.196 7.924 1.00 0.00 H new ATOM 816 N GLU A 53 -4.280 -5.554 6.182 1.00 0.00 N ATOM 817 CA GLU A 53 -2.932 -5.647 6.716 1.00 0.00 C ATOM 818 C GLU A 53 -2.019 -4.624 6.036 1.00 0.00 C ATOM 819 O GLU A 53 -1.182 -4.004 6.688 1.00 0.00 O ATOM 820 CB GLU A 53 -2.377 -7.065 6.561 1.00 0.00 C ATOM 821 CG GLU A 53 -1.794 -7.572 7.881 1.00 0.00 C ATOM 822 CD GLU A 53 -0.286 -7.801 7.762 1.00 0.00 C ATOM 823 OE1 GLU A 53 0.097 -8.632 6.910 1.00 0.00 O ATOM 824 OE2 GLU A 53 0.451 -7.140 8.526 1.00 0.00 O ATOM 0 H GLU A 53 -4.594 -6.379 5.671 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.969 -5.421 7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.169 -7.735 6.228 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.606 -7.076 5.791 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.994 -6.850 8.672 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.285 -8.502 8.166 1.00 0.00 H new ATOM 831 N ILE A 54 -2.213 -4.480 4.733 1.00 0.00 N ATOM 832 CA ILE A 54 -1.418 -3.544 3.957 1.00 0.00 C ATOM 833 C ILE A 54 -1.633 -2.129 4.498 1.00 0.00 C ATOM 834 O ILE A 54 -0.702 -1.326 4.534 1.00 0.00 O ATOM 835 CB ILE A 54 -1.727 -3.686 2.465 1.00 0.00 C ATOM 836 CG1 ILE A 54 -1.311 -5.064 1.948 1.00 0.00 C ATOM 837 CG2 ILE A 54 -1.083 -2.554 1.662 1.00 0.00 C ATOM 838 CD1 ILE A 54 -1.997 -5.380 0.617 1.00 0.00 C ATOM 0 H ILE A 54 -2.909 -4.996 4.195 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.356 -3.768 4.061 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.805 -3.604 2.330 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.229 -5.097 1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.569 -5.826 2.684 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.318 -2.678 0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.470 -1.596 2.009 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.002 -2.580 1.799 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.684 -6.365 0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.078 -5.370 0.754 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.718 -4.630 -0.123 1.00 0.00 H new ATOM 850 N CYS A 55 -2.867 -1.866 4.904 1.00 0.00 N ATOM 851 CA CYS A 55 -3.217 -0.562 5.442 1.00 0.00 C ATOM 852 C CYS A 55 -2.411 -0.339 6.723 1.00 0.00 C ATOM 853 O CYS A 55 -1.903 0.756 6.959 1.00 0.00 O ATOM 854 CB CYS A 55 -4.722 -0.435 5.684 1.00 0.00 C ATOM 855 SG CYS A 55 -5.431 0.827 4.565 1.00 0.00 S ATOM 0 H CYS A 55 -3.637 -2.534 4.871 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.966 0.213 4.717 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.208 -1.396 5.516 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.910 -0.160 6.722 1.00 0.00 H new ATOM 0 HG CYS A 55 -6.014 0.240 3.562 1.00 0.00 H new ATOM 861 N GLN A 56 -2.321 -1.395 7.518 1.00 0.00 N ATOM 862 CA GLN A 56 -1.586 -1.328 8.770 1.00 0.00 C ATOM 863 C GLN A 56 -0.128 -0.945 8.510 1.00 0.00 C ATOM 864 O GLN A 56 0.430 -0.100 9.209 1.00 0.00 O ATOM 865 CB GLN A 56 -1.678 -2.653 9.531 1.00 0.00 C ATOM 866 CG GLN A 56 -1.943 -2.413 11.019 1.00 0.00 C ATOM 867 CD GLN A 56 -0.632 -2.258 11.792 1.00 0.00 C ATOM 868 OE1 GLN A 56 0.065 -3.217 12.082 1.00 0.00 O ATOM 869 NE2 GLN A 56 -0.336 -1.001 12.108 1.00 0.00 N ATOM 0 H GLN A 56 -2.745 -2.301 7.320 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.038 -0.556 9.393 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.476 -3.264 9.110 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.750 -3.212 9.409 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.551 -1.517 11.144 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.515 -3.246 11.429 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.964 -0.245 11.834 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.519 -0.793 12.624 1.00 0.00 H new ATOM 878 N ALA A 57 0.449 -1.586 7.504 1.00 0.00 N ATOM 879 CA ALA A 57 1.831 -1.323 7.143 1.00 0.00 C ATOM 880 C ALA A 57 1.998 0.166 6.830 1.00 0.00 C ATOM 881 O ALA A 57 3.066 0.734 7.050 1.00 0.00 O ATOM 882 CB ALA A 57 2.230 -2.214 5.966 1.00 0.00 C ATOM 0 H ALA A 57 -0.016 -2.287 6.928 1.00 0.00 H new ATOM 0 HA ALA A 57 2.496 -1.562 7.973 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.267 -2.016 5.695 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.122 -3.261 6.249 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.586 -2.001 5.113 1.00 0.00 H new ATOM 888 N ILE A 58 0.925 0.754 6.321 1.00 0.00 N ATOM 889 CA ILE A 58 0.939 2.165 5.975 1.00 0.00 C ATOM 890 C ILE A 58 0.745 2.999 7.244 1.00 0.00 C ATOM 891 O ILE A 58 1.462 3.973 7.467 1.00 0.00 O ATOM 892 CB ILE A 58 -0.090 2.459 4.882 1.00 0.00 C ATOM 893 CG1 ILE A 58 0.217 1.664 3.612 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.186 3.962 4.609 1.00 0.00 C ATOM 895 CD1 ILE A 58 -1.072 1.209 2.925 1.00 0.00 C ATOM 0 H ILE A 58 0.041 0.279 6.140 1.00 0.00 H new ATOM 0 HA ILE A 58 1.905 2.445 5.554 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.068 2.133 5.237 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.801 2.278 2.927 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.827 0.795 3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.924 4.144 3.828 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.487 4.479 5.520 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.785 4.336 4.284 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.825 0.646 2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.642 0.575 3.604 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.668 2.081 2.656 1.00 0.00 H new ATOM 907 N ASN A 59 -0.229 2.585 8.041 1.00 0.00 N ATOM 908 CA ASN A 59 -0.527 3.281 9.281 1.00 0.00 C ATOM 909 C ASN A 59 0.664 3.151 10.233 1.00 0.00 C ATOM 910 O ASN A 59 0.909 4.036 11.051 1.00 0.00 O ATOM 911 CB ASN A 59 -1.752 2.677 9.972 1.00 0.00 C ATOM 912 CG ASN A 59 -3.025 3.436 9.593 1.00 0.00 C ATOM 913 OD1 ASN A 59 -3.071 4.180 8.627 1.00 0.00 O ATOM 914 ND2 ASN A 59 -4.053 3.208 10.405 1.00 0.00 N ATOM 0 H ASN A 59 -0.822 1.777 7.852 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.726 4.325 9.041 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.852 1.629 9.691 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.615 2.706 11.053 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.948 3.668 10.237 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.947 2.573 11.196 1.00 0.00 H new ATOM 921 N GLU A 60 1.373 2.041 10.094 1.00 0.00 N ATOM 922 CA GLU A 60 2.532 1.784 10.931 1.00 0.00 C ATOM 923 C GLU A 60 3.630 2.811 10.648 1.00 0.00 C ATOM 924 O GLU A 60 4.622 2.881 11.373 1.00 0.00 O ATOM 925 CB GLU A 60 3.050 0.358 10.728 1.00 0.00 C ATOM 926 CG GLU A 60 3.943 -0.072 11.894 1.00 0.00 C ATOM 927 CD GLU A 60 5.232 -0.721 11.387 1.00 0.00 C ATOM 928 OE1 GLU A 60 5.885 -0.090 10.528 1.00 0.00 O ATOM 929 OE2 GLU A 60 5.536 -1.834 11.869 1.00 0.00 O ATOM 0 H GLU A 60 1.167 1.309 9.414 1.00 0.00 H new ATOM 0 HA GLU A 60 2.231 1.881 11.974 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.209 -0.329 10.637 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.611 0.300 9.795 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.186 0.794 12.510 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.404 -0.774 12.530 1.00 0.00 H new ATOM 936 N LEU A 61 3.416 3.583 9.592 1.00 0.00 N ATOM 937 CA LEU A 61 4.375 4.603 9.204 1.00 0.00 C ATOM 938 C LEU A 61 4.152 5.856 10.054 1.00 0.00 C ATOM 939 O LEU A 61 4.915 6.127 10.980 1.00 0.00 O ATOM 940 CB LEU A 61 4.303 4.861 7.698 1.00 0.00 C ATOM 941 CG LEU A 61 4.327 3.620 6.803 1.00 0.00 C ATOM 942 CD1 LEU A 61 3.983 3.980 5.357 1.00 0.00 C ATOM 943 CD2 LEU A 61 5.669 2.893 6.909 1.00 0.00 C ATOM 0 H LEU A 61 2.592 3.522 8.993 1.00 0.00 H new ATOM 0 HA LEU A 61 5.392 4.263 9.397 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.390 5.418 7.488 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.139 5.502 7.419 1.00 0.00 H new ATOM 0 HG LEU A 61 3.559 2.931 7.154 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.007 3.080 4.742 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.986 4.419 5.319 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.710 4.698 4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.659 2.015 6.263 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.471 3.563 6.599 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.834 2.583 7.941 1.00 0.00 H new ATOM 955 N GLY A 62 3.102 6.587 9.709 1.00 0.00 N ATOM 956 CA GLY A 62 2.768 7.804 10.429 1.00 0.00 C ATOM 957 C GLY A 62 1.717 8.618 9.672 1.00 0.00 C ATOM 958 O GLY A 62 1.791 9.845 9.626 1.00 0.00 O ATOM 0 H GLY A 62 2.471 6.360 8.940 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.393 7.553 11.421 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.666 8.405 10.571 1.00 0.00 H new ATOM 962 N TYR A 63 0.762 7.902 9.097 1.00 0.00 N ATOM 963 CA TYR A 63 -0.304 8.542 8.345 1.00 0.00 C ATOM 964 C TYR A 63 -1.628 7.798 8.527 1.00 0.00 C ATOM 965 O TYR A 63 -1.649 6.675 9.029 1.00 0.00 O ATOM 966 CB TYR A 63 0.113 8.464 6.874 1.00 0.00 C ATOM 967 CG TYR A 63 1.626 8.412 6.658 1.00 0.00 C ATOM 968 CD1 TYR A 63 2.414 9.482 7.032 1.00 0.00 C ATOM 969 CD2 TYR A 63 2.204 7.295 6.090 1.00 0.00 C ATOM 970 CE1 TYR A 63 3.839 9.432 6.829 1.00 0.00 C ATOM 971 CE2 TYR A 63 3.629 7.245 5.887 1.00 0.00 C ATOM 972 CZ TYR A 63 4.376 8.317 6.266 1.00 0.00 C ATOM 973 OH TYR A 63 5.721 8.270 6.074 1.00 0.00 O ATOM 0 H TYR A 63 0.704 6.884 9.137 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.451 9.567 8.685 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.338 7.579 6.426 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.289 9.329 6.347 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.962 10.356 7.477 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.587 6.458 5.798 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.467 10.262 7.118 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.094 6.377 5.444 1.00 0.00 H new ATOM 0 HH TYR A 63 5.963 7.413 5.664 1.00 0.00 H new ATOM 983 N GLN A 64 -2.701 8.453 8.110 1.00 0.00 N ATOM 984 CA GLN A 64 -4.026 7.868 8.221 1.00 0.00 C ATOM 985 C GLN A 64 -4.366 7.079 6.955 1.00 0.00 C ATOM 986 O GLN A 64 -4.896 7.636 5.995 1.00 0.00 O ATOM 987 CB GLN A 64 -5.079 8.943 8.496 1.00 0.00 C ATOM 988 CG GLN A 64 -5.875 8.619 9.763 1.00 0.00 C ATOM 989 CD GLN A 64 -5.059 8.934 11.018 1.00 0.00 C ATOM 990 OE1 GLN A 64 -4.507 10.011 11.178 1.00 0.00 O ATOM 991 NE2 GLN A 64 -5.014 7.938 11.898 1.00 0.00 N ATOM 0 H GLN A 64 -2.680 9.384 7.694 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.028 7.180 9.066 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.594 9.913 8.605 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.757 9.019 7.646 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.801 9.195 9.773 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.155 7.566 9.762 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.499 7.062 11.702 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.495 8.050 12.769 1.00 0.00 H new ATOM 1000 N ALA A 65 -4.046 5.793 6.994 1.00 0.00 N ATOM 1001 CA ALA A 65 -4.311 4.922 5.861 1.00 0.00 C ATOM 1002 C ALA A 65 -5.489 4.004 6.194 1.00 0.00 C ATOM 1003 O ALA A 65 -5.604 3.518 7.318 1.00 0.00 O ATOM 1004 CB ALA A 65 -3.044 4.140 5.511 1.00 0.00 C ATOM 0 H ALA A 65 -3.606 5.334 7.792 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.586 5.507 4.983 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.243 3.487 4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.246 4.836 5.254 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.739 3.539 6.368 1.00 0.00 H new ATOM 1010 N GLU A 66 -6.336 3.796 5.196 1.00 0.00 N ATOM 1011 CA GLU A 66 -7.501 2.945 5.369 1.00 0.00 C ATOM 1012 C GLU A 66 -7.937 2.363 4.023 1.00 0.00 C ATOM 1013 O GLU A 66 -7.849 3.033 2.995 1.00 0.00 O ATOM 1014 CB GLU A 66 -8.647 3.713 6.031 1.00 0.00 C ATOM 1015 CG GLU A 66 -9.598 4.292 4.981 1.00 0.00 C ATOM 1016 CD GLU A 66 -10.586 5.271 5.618 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -11.655 4.794 6.056 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -10.251 6.475 5.652 1.00 0.00 O ATOM 0 H GLU A 66 -6.239 4.202 4.265 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.230 2.121 6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.197 3.049 6.698 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.243 4.518 6.645 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.024 4.801 4.206 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.144 3.484 4.494 1.00 0.00 H new ATOM 1025 N VAL A 67 -8.398 1.122 4.072 1.00 0.00 N ATOM 1026 CA VAL A 67 -8.848 0.442 2.870 1.00 0.00 C ATOM 1027 C VAL A 67 -10.069 1.169 2.304 1.00 0.00 C ATOM 1028 O VAL A 67 -10.999 1.494 3.041 1.00 0.00 O ATOM 1029 CB VAL A 67 -9.118 -1.034 3.173 1.00 0.00 C ATOM 1030 CG1 VAL A 67 -9.706 -1.745 1.953 1.00 0.00 C ATOM 1031 CG2 VAL A 67 -7.847 -1.735 3.657 1.00 0.00 C ATOM 0 H VAL A 67 -8.470 0.569 4.926 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.072 0.466 2.105 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.854 -1.083 3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.888 -2.792 2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.645 -1.269 1.672 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.004 -1.682 1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.066 -2.782 3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.080 -1.671 2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.488 -1.252 4.566 1.00 0.00 H new ATOM 1041 N ILE A 68 -10.028 1.403 1.001 1.00 0.00 N ATOM 1042 CA ILE A 68 -11.119 2.086 0.328 1.00 0.00 C ATOM 1043 C ILE A 68 -12.144 1.055 -0.148 1.00 0.00 C ATOM 1044 O ILE A 68 -11.981 -0.142 0.087 1.00 0.00 O ATOM 1045 CB ILE A 68 -10.583 2.982 -0.790 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -9.669 4.073 -0.228 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -11.727 3.565 -1.622 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -8.745 4.627 -1.315 1.00 0.00 C ATOM 0 H ILE A 68 -9.255 1.131 0.393 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.634 2.753 1.019 1.00 0.00 H new ATOM 0 HB ILE A 68 -9.979 2.369 -1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.273 4.880 0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.073 3.668 0.589 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -11.318 4.198 -2.410 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.301 2.754 -2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.378 4.159 -0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.106 5.401 -0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.126 3.822 -1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.344 5.053 -2.119 1.00 0.00 H new