USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=10 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 83:sc= 0 USER MOD Set 1.2: A 63 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 34 GLN : amide:sc= -1.33 K(o=-1.3,f=-6.7!) USER MOD Set 2.2: A 37 LYS NZ :NH3+ 165:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.548 X(o=-0.55,f=-0.68) 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 147:sc= -6.81! (180deg=-8.09!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0.192 USER MOD Single : A 12 ASN : amide:sc= -3.11! C(o=-3.1!,f=-3.4!) USER MOD Single : A 13 HIS : no HD1:sc= -3.4! C(o=-3.4!,f=-6!) 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 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -4.02! C(o=-4!,f=-4.5!) USER MOD Single : A 50 GLN : amide:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot -170:sc= -0.373 USER MOD Single : A 56 GLN : amide:sc= -0.0782 X(o=-0.078,f=-0.56) USER MOD Single : A 59 ASN : amide:sc= -0.762 K(o=-0.76,f=-0.066) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 -7.191 -3.698 -4.154 1.00 0.00 N ATOM 12 CA GLN A 2 -7.803 -2.875 -3.124 1.00 0.00 C ATOM 13 C GLN A 2 -6.850 -1.752 -2.707 1.00 0.00 C ATOM 14 O GLN A 2 -5.808 -2.009 -2.107 1.00 0.00 O ATOM 15 CB GLN A 2 -8.213 -3.722 -1.918 1.00 0.00 C ATOM 16 CG GLN A 2 -9.565 -3.266 -1.363 1.00 0.00 C ATOM 17 CD GLN A 2 -10.673 -3.445 -2.403 1.00 0.00 C ATOM 18 OE1 GLN A 2 -10.729 -4.425 -3.126 1.00 0.00 O ATOM 19 NE2 GLN A 2 -11.548 -2.444 -2.437 1.00 0.00 N ATOM 0 HA GLN A 2 -8.707 -2.425 -3.534 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -8.270 -4.771 -2.208 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -7.453 -3.647 -1.141 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.806 -3.838 -0.467 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -9.506 -2.219 -1.066 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.442 -1.652 -1.803 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.325 -2.468 -3.097 1.00 0.00 H new ATOM 28 N GLU A 3 -7.243 -0.532 -3.042 1.00 0.00 N ATOM 29 CA GLU A 3 -6.438 0.631 -2.710 1.00 0.00 C ATOM 30 C GLU A 3 -6.808 1.154 -1.321 1.00 0.00 C ATOM 31 O GLU A 3 -7.850 0.794 -0.775 1.00 0.00 O ATOM 32 CB GLU A 3 -6.592 1.725 -3.767 1.00 0.00 C ATOM 33 CG GLU A 3 -7.942 2.433 -3.631 1.00 0.00 C ATOM 34 CD GLU A 3 -8.202 3.354 -4.824 1.00 0.00 C ATOM 35 OE1 GLU A 3 -7.207 3.905 -5.343 1.00 0.00 O ATOM 36 OE2 GLU A 3 -9.389 3.487 -5.191 1.00 0.00 O ATOM 0 H GLU A 3 -8.108 -0.324 -3.540 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.390 0.331 -2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.785 2.450 -3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.505 1.289 -4.762 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.739 1.693 -3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.961 3.013 -2.708 1.00 0.00 H new ATOM 43 N PHE A 4 -5.935 1.995 -0.788 1.00 0.00 N ATOM 44 CA PHE A 4 -6.157 2.572 0.528 1.00 0.00 C ATOM 45 C PHE A 4 -6.004 4.094 0.492 1.00 0.00 C ATOM 46 O PHE A 4 -4.988 4.609 0.028 1.00 0.00 O ATOM 47 CB PHE A 4 -5.094 1.986 1.459 1.00 0.00 C ATOM 48 CG PHE A 4 -4.619 0.587 1.059 1.00 0.00 C ATOM 49 CD1 PHE A 4 -3.837 0.423 -0.042 1.00 0.00 C ATOM 50 CD2 PHE A 4 -4.979 -0.492 1.804 1.00 0.00 C ATOM 51 CE1 PHE A 4 -3.396 -0.875 -0.413 1.00 0.00 C ATOM 52 CE2 PHE A 4 -4.538 -1.790 1.433 1.00 0.00 C ATOM 53 CZ PHE A 4 -3.756 -1.954 0.333 1.00 0.00 C ATOM 0 H PHE A 4 -5.072 2.291 -1.243 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.167 2.343 0.869 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.236 2.657 1.482 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.495 1.947 2.472 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.552 1.280 -0.634 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.600 -0.362 2.678 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.775 -1.005 -1.287 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.824 -2.647 2.025 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.421 -2.941 0.051 1.00 0.00 H new ATOM 63 N SER A 5 -7.029 4.771 0.989 1.00 0.00 N ATOM 64 CA SER A 5 -7.022 6.224 1.020 1.00 0.00 C ATOM 65 C SER A 5 -6.188 6.717 2.204 1.00 0.00 C ATOM 66 O SER A 5 -6.404 6.294 3.339 1.00 0.00 O ATOM 67 CB SER A 5 -8.444 6.780 1.104 1.00 0.00 C ATOM 68 OG SER A 5 -8.481 8.062 1.726 1.00 0.00 O ATOM 0 H SER A 5 -7.870 4.340 1.373 1.00 0.00 H new ATOM 0 HA SER A 5 -6.575 6.584 0.093 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.865 6.852 0.101 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.072 6.087 1.664 1.00 0.00 H new ATOM 0 HG SER A 5 -9.406 8.383 1.759 1.00 0.00 H new ATOM 74 N VAL A 6 -5.254 7.606 1.899 1.00 0.00 N ATOM 75 CA VAL A 6 -4.387 8.161 2.925 1.00 0.00 C ATOM 76 C VAL A 6 -4.923 9.528 3.354 1.00 0.00 C ATOM 77 O VAL A 6 -5.135 10.406 2.519 1.00 0.00 O ATOM 78 CB VAL A 6 -2.945 8.218 2.416 1.00 0.00 C ATOM 79 CG1 VAL A 6 -1.958 8.337 3.579 1.00 0.00 C ATOM 80 CG2 VAL A 6 -2.622 7.001 1.546 1.00 0.00 C ATOM 0 H VAL A 6 -5.079 7.956 0.957 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.382 7.522 3.808 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.843 9.109 1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.940 8.376 3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.166 9.247 4.141 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.063 7.473 4.235 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.591 7.066 1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.750 6.091 2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.294 6.978 0.688 1.00 0.00 H new ATOM 90 N LYS A 7 -5.127 9.666 4.656 1.00 0.00 N ATOM 91 CA LYS A 7 -5.635 10.912 5.206 1.00 0.00 C ATOM 92 C LYS A 7 -4.681 11.410 6.293 1.00 0.00 C ATOM 93 O LYS A 7 -5.119 11.833 7.362 1.00 0.00 O ATOM 94 CB LYS A 7 -7.077 10.737 5.686 1.00 0.00 C ATOM 95 CG LYS A 7 -8.032 10.567 4.503 1.00 0.00 C ATOM 96 CD LYS A 7 -9.449 11.010 4.874 1.00 0.00 C ATOM 97 CE LYS A 7 -9.590 12.531 4.782 1.00 0.00 C ATOM 98 NZ LYS A 7 -10.455 13.038 5.869 1.00 0.00 N ATOM 0 H LYS A 7 -4.950 8.936 5.346 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.671 11.682 4.436 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.143 9.867 6.339 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.375 11.603 6.277 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.674 11.152 3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.044 9.524 4.188 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.169 10.534 4.208 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.684 10.680 5.886 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.607 12.998 4.844 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.012 12.805 3.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.540 14.072 5.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.398 12.606 5.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.036 12.793 6.789 1.00 0.00 H new ATOM 112 N GLY A 8 -3.395 11.345 5.983 1.00 0.00 N ATOM 113 CA GLY A 8 -2.375 11.784 6.920 1.00 0.00 C ATOM 114 C GLY A 8 -1.027 11.962 6.220 1.00 0.00 C ATOM 115 O GLY A 8 0.023 11.863 6.853 1.00 0.00 O ATOM 0 H GLY A 8 -3.035 10.995 5.095 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.678 12.726 7.378 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.277 11.055 7.725 1.00 0.00 H new ATOM 119 N MET A 9 -1.099 12.221 4.922 1.00 0.00 N ATOM 120 CA MET A 9 0.103 12.414 4.129 1.00 0.00 C ATOM 121 C MET A 9 0.741 13.773 4.423 1.00 0.00 C ATOM 122 O MET A 9 0.039 14.759 4.638 1.00 0.00 O ATOM 123 CB MET A 9 -0.247 12.324 2.642 1.00 0.00 C ATOM 124 CG MET A 9 0.590 11.249 1.946 1.00 0.00 C ATOM 125 SD MET A 9 0.745 11.626 0.208 1.00 0.00 S ATOM 126 CE MET A 9 1.993 12.901 0.278 1.00 0.00 C ATOM 0 H MET A 9 -1.972 12.302 4.400 1.00 0.00 H new ATOM 0 HA MET A 9 0.818 11.634 4.391 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.307 12.096 2.527 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.075 13.289 2.165 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.578 11.192 2.404 1.00 0.00 H new ATOM 0 HG3 MET A 9 0.123 10.273 2.075 1.00 0.00 H new ATOM 0 HE1 MET A 9 2.617 12.849 -0.614 1.00 0.00 H new ATOM 0 HE2 MET A 9 1.513 13.878 0.328 1.00 0.00 H new ATOM 0 HE3 MET A 9 2.612 12.756 1.163 1.00 0.00 H new ATOM 136 N SER A 10 2.066 13.781 4.422 1.00 0.00 N ATOM 137 CA SER A 10 2.808 15.003 4.685 1.00 0.00 C ATOM 138 C SER A 10 3.579 15.427 3.434 1.00 0.00 C ATOM 139 O SER A 10 3.984 16.582 3.312 1.00 0.00 O ATOM 140 CB SER A 10 3.766 14.822 5.864 1.00 0.00 C ATOM 141 OG SER A 10 3.815 15.978 6.695 1.00 0.00 O ATOM 0 H SER A 10 2.645 12.961 4.243 1.00 0.00 H new ATOM 0 HA SER A 10 2.096 15.786 4.947 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.453 13.963 6.457 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.766 14.603 5.488 1.00 0.00 H new ATOM 0 HG SER A 10 4.436 15.822 7.437 1.00 0.00 H new ATOM 147 N CYS A 11 3.758 14.470 2.535 1.00 0.00 N ATOM 148 CA CYS A 11 4.474 14.730 1.298 1.00 0.00 C ATOM 149 C CYS A 11 5.965 14.498 1.547 1.00 0.00 C ATOM 150 O CYS A 11 6.338 13.736 2.438 1.00 0.00 O ATOM 151 CB CYS A 11 4.196 16.139 0.769 1.00 0.00 C ATOM 152 SG CYS A 11 4.182 16.129 -1.061 1.00 0.00 S ATOM 0 H CYS A 11 3.419 13.513 2.639 1.00 0.00 H new ATOM 0 HA CYS A 11 4.126 14.047 0.523 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.238 16.495 1.146 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.958 16.829 1.131 1.00 0.00 H new ATOM 0 HG CYS A 11 3.943 17.329 -1.500 1.00 0.00 H new ATOM 158 N ASN A 12 6.778 15.169 0.744 1.00 0.00 N ATOM 159 CA ASN A 12 8.221 15.045 0.867 1.00 0.00 C ATOM 160 C ASN A 12 8.679 13.763 0.170 1.00 0.00 C ATOM 161 O ASN A 12 9.363 13.818 -0.852 1.00 0.00 O ATOM 162 CB ASN A 12 8.644 14.963 2.335 1.00 0.00 C ATOM 163 CG ASN A 12 7.750 15.841 3.213 1.00 0.00 C ATOM 164 OD1 ASN A 12 7.186 15.403 4.202 1.00 0.00 O ATOM 165 ND2 ASN A 12 7.654 17.100 2.798 1.00 0.00 N ATOM 0 H ASN A 12 6.465 15.800 0.006 1.00 0.00 H new ATOM 0 HA ASN A 12 8.675 15.924 0.410 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.591 13.929 2.675 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.682 15.279 2.436 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.081 17.766 3.317 1.00 0.00 H new ATOM 0 HD22 ASN A 12 8.153 17.400 1.961 1.00 0.00 H new ATOM 172 N HIS A 13 8.285 12.639 0.749 1.00 0.00 N ATOM 173 CA HIS A 13 8.647 11.345 0.196 1.00 0.00 C ATOM 174 C HIS A 13 7.735 10.264 0.781 1.00 0.00 C ATOM 175 O HIS A 13 8.128 9.102 0.878 1.00 0.00 O ATOM 176 CB HIS A 13 10.132 11.054 0.422 1.00 0.00 C ATOM 177 CG HIS A 13 10.443 10.460 1.776 1.00 0.00 C ATOM 178 ND1 HIS A 13 9.561 10.520 2.841 1.00 0.00 N ATOM 179 CD2 HIS A 13 11.545 9.794 2.225 1.00 0.00 C ATOM 180 CE1 HIS A 13 10.118 9.915 3.879 1.00 0.00 C ATOM 181 NE2 HIS A 13 11.348 9.466 3.496 1.00 0.00 N ATOM 0 H HIS A 13 7.718 12.597 1.596 1.00 0.00 H new ATOM 0 HA HIS A 13 8.498 11.352 -0.884 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.479 10.370 -0.352 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.695 11.980 0.305 1.00 0.00 H new ATOM 0 HD2 HIS A 13 12.428 9.571 1.645 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.676 9.798 4.857 1.00 0.00 H new ATOM 0 HE2 HIS A 13 12.007 8.962 4.089 1.00 0.00 H new ATOM 189 N CYS A 14 6.536 10.685 1.154 1.00 0.00 N ATOM 190 CA CYS A 14 5.565 9.767 1.726 1.00 0.00 C ATOM 191 C CYS A 14 5.142 8.776 0.639 1.00 0.00 C ATOM 192 O CYS A 14 5.275 7.566 0.813 1.00 0.00 O ATOM 193 CB CYS A 14 4.366 10.510 2.319 1.00 0.00 C ATOM 194 SG CYS A 14 4.740 11.035 4.032 1.00 0.00 S ATOM 0 H CYS A 14 6.214 11.649 1.072 1.00 0.00 H new ATOM 0 HA CYS A 14 6.019 9.223 2.555 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.128 11.380 1.707 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.488 9.865 2.311 1.00 0.00 H new ATOM 0 HG CYS A 14 5.418 12.144 4.008 1.00 0.00 H new ATOM 200 N VAL A 15 4.642 9.327 -0.457 1.00 0.00 N ATOM 201 CA VAL A 15 4.199 8.507 -1.571 1.00 0.00 C ATOM 202 C VAL A 15 5.173 7.343 -1.761 1.00 0.00 C ATOM 203 O VAL A 15 4.756 6.190 -1.866 1.00 0.00 O ATOM 204 CB VAL A 15 4.046 9.369 -2.827 1.00 0.00 C ATOM 205 CG1 VAL A 15 4.190 8.522 -4.093 1.00 0.00 C ATOM 206 CG2 VAL A 15 2.713 10.119 -2.817 1.00 0.00 C ATOM 0 H VAL A 15 4.534 10.332 -0.597 1.00 0.00 H new ATOM 0 HA VAL A 15 3.218 8.080 -1.364 1.00 0.00 H new ATOM 0 HB VAL A 15 4.846 10.109 -2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.077 9.158 -4.971 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.174 8.054 -4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.421 7.750 -4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.629 10.724 -3.720 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.893 9.402 -2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.666 10.766 -1.941 1.00 0.00 H new ATOM 216 N ALA A 16 6.453 7.683 -1.798 1.00 0.00 N ATOM 217 CA ALA A 16 7.490 6.681 -1.973 1.00 0.00 C ATOM 218 C ALA A 16 7.504 5.750 -0.758 1.00 0.00 C ATOM 219 O ALA A 16 7.320 4.542 -0.895 1.00 0.00 O ATOM 220 CB ALA A 16 8.837 7.372 -2.194 1.00 0.00 C ATOM 0 H ALA A 16 6.796 8.640 -1.710 1.00 0.00 H new ATOM 0 HA ALA A 16 7.289 6.071 -2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.615 6.620 -2.325 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.783 7.998 -3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.074 7.992 -1.329 1.00 0.00 H new ATOM 226 N ARG A 17 7.724 6.349 0.403 1.00 0.00 N ATOM 227 CA ARG A 17 7.764 5.590 1.641 1.00 0.00 C ATOM 228 C ARG A 17 6.584 4.618 1.706 1.00 0.00 C ATOM 229 O ARG A 17 6.750 3.459 2.084 1.00 0.00 O ATOM 230 CB ARG A 17 7.720 6.517 2.857 1.00 0.00 C ATOM 231 CG ARG A 17 9.027 6.444 3.649 1.00 0.00 C ATOM 232 CD ARG A 17 10.238 6.514 2.716 1.00 0.00 C ATOM 233 NE ARG A 17 10.875 5.182 2.613 1.00 0.00 N ATOM 234 CZ ARG A 17 11.778 4.851 1.680 1.00 0.00 C ATOM 235 NH1 ARG A 17 12.155 5.752 0.763 1.00 0.00 N ATOM 236 NH2 ARG A 17 12.303 3.618 1.663 1.00 0.00 N ATOM 0 H ARG A 17 7.876 7.352 0.512 1.00 0.00 H new ATOM 0 HA ARG A 17 8.700 5.032 1.658 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.545 7.542 2.531 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.885 6.240 3.500 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.068 7.264 4.366 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.058 5.517 4.222 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.927 6.855 1.728 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.957 7.242 3.093 1.00 0.00 H new ATOM 0 HE ARG A 17 10.610 4.471 3.295 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.755 6.690 0.775 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.842 5.500 0.053 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.015 2.931 2.360 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.990 3.366 0.953 1.00 0.00 H new ATOM 250 N ILE A 18 5.419 5.126 1.332 1.00 0.00 N ATOM 251 CA ILE A 18 4.212 4.317 1.343 1.00 0.00 C ATOM 252 C ILE A 18 4.352 3.186 0.322 1.00 0.00 C ATOM 253 O ILE A 18 4.285 2.011 0.680 1.00 0.00 O ATOM 254 CB ILE A 18 2.977 5.194 1.123 1.00 0.00 C ATOM 255 CG1 ILE A 18 2.868 6.268 2.208 1.00 0.00 C ATOM 256 CG2 ILE A 18 1.710 4.342 1.030 1.00 0.00 C ATOM 257 CD1 ILE A 18 1.686 7.201 1.938 1.00 0.00 C ATOM 0 H ILE A 18 5.285 6.088 1.019 1.00 0.00 H new ATOM 0 HA ILE A 18 4.075 3.851 2.319 1.00 0.00 H new ATOM 0 HB ILE A 18 3.089 5.710 0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.747 5.795 3.182 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.791 6.846 2.247 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.847 4.989 0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.799 3.648 0.194 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.580 3.781 1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.631 7.955 2.723 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.822 7.691 0.974 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.762 6.623 1.924 1.00 0.00 H new ATOM 269 N GLU A 19 4.543 3.580 -0.928 1.00 0.00 N ATOM 270 CA GLU A 19 4.692 2.614 -2.003 1.00 0.00 C ATOM 271 C GLU A 19 5.777 1.594 -1.652 1.00 0.00 C ATOM 272 O GLU A 19 5.564 0.388 -1.773 1.00 0.00 O ATOM 273 CB GLU A 19 5.004 3.311 -3.328 1.00 0.00 C ATOM 274 CG GLU A 19 4.571 2.450 -4.517 1.00 0.00 C ATOM 275 CD GLU A 19 5.432 2.740 -5.747 1.00 0.00 C ATOM 276 OE1 GLU A 19 5.624 3.941 -6.036 1.00 0.00 O ATOM 277 OE2 GLU A 19 5.881 1.754 -6.371 1.00 0.00 O ATOM 0 H GLU A 19 4.598 4.556 -1.221 1.00 0.00 H new ATOM 0 HA GLU A 19 3.747 2.085 -2.123 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.493 4.273 -3.366 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.073 3.515 -3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.650 1.395 -4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.524 2.644 -4.748 1.00 0.00 H new ATOM 284 N GLU A 20 6.919 2.114 -1.225 1.00 0.00 N ATOM 285 CA GLU A 20 8.037 1.264 -0.856 1.00 0.00 C ATOM 286 C GLU A 20 7.683 0.424 0.372 1.00 0.00 C ATOM 287 O GLU A 20 7.950 -0.776 0.406 1.00 0.00 O ATOM 288 CB GLU A 20 9.298 2.094 -0.608 1.00 0.00 C ATOM 289 CG GLU A 20 10.558 1.286 -0.925 1.00 0.00 C ATOM 290 CD GLU A 20 10.766 1.164 -2.436 1.00 0.00 C ATOM 291 OE1 GLU A 20 11.280 2.143 -3.019 1.00 0.00 O ATOM 292 OE2 GLU A 20 10.407 0.094 -2.974 1.00 0.00 O ATOM 0 H GLU A 20 7.093 3.114 -1.127 1.00 0.00 H new ATOM 0 HA GLU A 20 8.244 0.588 -1.686 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.273 2.992 -1.225 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.324 2.421 0.431 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.426 1.766 -0.473 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.478 0.292 -0.484 1.00 0.00 H new ATOM 299 N ALA A 21 7.088 1.088 1.352 1.00 0.00 N ATOM 300 CA ALA A 21 6.694 0.418 2.579 1.00 0.00 C ATOM 301 C ALA A 21 5.788 -0.767 2.240 1.00 0.00 C ATOM 302 O ALA A 21 5.877 -1.821 2.869 1.00 0.00 O ATOM 303 CB ALA A 21 6.017 1.422 3.515 1.00 0.00 C ATOM 0 H ALA A 21 6.869 2.084 1.321 1.00 0.00 H new ATOM 0 HA ALA A 21 7.568 0.026 3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.721 0.919 4.436 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.713 2.228 3.749 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.134 1.835 3.028 1.00 0.00 H new ATOM 309 N VAL A 22 4.936 -0.554 1.248 1.00 0.00 N ATOM 310 CA VAL A 22 4.014 -1.592 0.818 1.00 0.00 C ATOM 311 C VAL A 22 4.785 -2.666 0.048 1.00 0.00 C ATOM 312 O VAL A 22 4.669 -3.853 0.347 1.00 0.00 O ATOM 313 CB VAL A 22 2.874 -0.975 0.005 1.00 0.00 C ATOM 314 CG1 VAL A 22 1.901 -2.052 -0.480 1.00 0.00 C ATOM 315 CG2 VAL A 22 2.144 0.101 0.812 1.00 0.00 C ATOM 0 H VAL A 22 4.865 0.322 0.730 1.00 0.00 H new ATOM 0 HA VAL A 22 3.555 -2.077 1.680 1.00 0.00 H new ATOM 0 HB VAL A 22 3.309 -0.497 -0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.100 -1.587 -1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.432 -2.766 -1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.476 -2.572 0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.339 0.523 0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.728 -0.342 1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.845 0.890 1.084 1.00 0.00 H new ATOM 325 N GLY A 23 5.554 -2.210 -0.930 1.00 0.00 N ATOM 326 CA GLY A 23 6.344 -3.117 -1.745 1.00 0.00 C ATOM 327 C GLY A 23 7.200 -4.036 -0.871 1.00 0.00 C ATOM 328 O GLY A 23 7.611 -5.109 -1.309 1.00 0.00 O ATOM 0 H GLY A 23 5.647 -1.225 -1.176 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.684 -3.717 -2.372 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.986 -2.544 -2.414 1.00 0.00 H new ATOM 332 N ARG A 24 7.444 -3.580 0.349 1.00 0.00 N ATOM 333 CA ARG A 24 8.243 -4.348 1.288 1.00 0.00 C ATOM 334 C ARG A 24 7.422 -5.502 1.866 1.00 0.00 C ATOM 335 O ARG A 24 7.975 -6.428 2.457 1.00 0.00 O ATOM 336 CB ARG A 24 8.746 -3.466 2.433 1.00 0.00 C ATOM 337 CG ARG A 24 10.147 -3.891 2.878 1.00 0.00 C ATOM 338 CD ARG A 24 10.222 -4.024 4.400 1.00 0.00 C ATOM 339 NE ARG A 24 11.532 -4.589 4.795 1.00 0.00 N ATOM 340 CZ ARG A 24 11.952 -4.699 6.063 1.00 0.00 C ATOM 341 NH1 ARG A 24 11.167 -4.282 7.066 1.00 0.00 N ATOM 342 NH2 ARG A 24 13.156 -5.224 6.327 1.00 0.00 N ATOM 0 H ARG A 24 7.102 -2.689 0.708 1.00 0.00 H new ATOM 0 HA ARG A 24 9.101 -4.745 0.745 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.762 -2.424 2.114 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.058 -3.530 3.276 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.407 -4.842 2.413 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.879 -3.159 2.537 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.082 -3.049 4.866 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.417 -4.666 4.757 1.00 0.00 H new ATOM 0 HE ARG A 24 12.154 -4.915 4.056 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.251 -3.881 6.864 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.486 -4.365 8.031 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.753 -5.540 5.563 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.475 -5.308 7.292 1.00 0.00 H new ATOM 356 N ILE A 25 6.114 -5.409 1.675 1.00 0.00 N ATOM 357 CA ILE A 25 5.211 -6.434 2.170 1.00 0.00 C ATOM 358 C ILE A 25 5.392 -7.709 1.344 1.00 0.00 C ATOM 359 O ILE A 25 5.046 -7.744 0.164 1.00 0.00 O ATOM 360 CB ILE A 25 3.772 -5.915 2.191 1.00 0.00 C ATOM 361 CG1 ILE A 25 3.666 -4.627 3.010 1.00 0.00 C ATOM 362 CG2 ILE A 25 2.807 -6.992 2.690 1.00 0.00 C ATOM 363 CD1 ILE A 25 4.332 -4.790 4.378 1.00 0.00 C ATOM 0 H ILE A 25 5.658 -4.640 1.184 1.00 0.00 H new ATOM 0 HA ILE A 25 5.450 -6.686 3.203 1.00 0.00 H new ATOM 0 HB ILE A 25 3.482 -5.672 1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.137 -3.807 2.468 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.617 -4.361 3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.791 -6.596 2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.856 -7.858 2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.085 -7.290 3.701 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.242 -3.860 4.939 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.843 -5.594 4.927 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.386 -5.032 4.243 1.00 0.00 H new ATOM 375 N SER A 26 5.934 -8.727 1.997 1.00 0.00 N ATOM 376 CA SER A 26 6.166 -10.001 1.338 1.00 0.00 C ATOM 377 C SER A 26 4.840 -10.582 0.843 1.00 0.00 C ATOM 378 O SER A 26 4.082 -11.159 1.622 1.00 0.00 O ATOM 379 CB SER A 26 6.861 -10.988 2.277 1.00 0.00 C ATOM 380 OG SER A 26 7.320 -12.148 1.588 1.00 0.00 O ATOM 0 H SER A 26 6.219 -8.695 2.976 1.00 0.00 H new ATOM 0 HA SER A 26 6.822 -9.831 0.484 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.705 -10.496 2.760 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.171 -11.285 3.066 1.00 0.00 H new ATOM 0 HG SER A 26 7.759 -12.753 2.222 1.00 0.00 H new ATOM 386 N GLY A 27 4.600 -10.411 -0.448 1.00 0.00 N ATOM 387 CA GLY A 27 3.379 -10.911 -1.056 1.00 0.00 C ATOM 388 C GLY A 27 2.846 -9.932 -2.103 1.00 0.00 C ATOM 389 O GLY A 27 1.969 -10.278 -2.893 1.00 0.00 O ATOM 0 H GLY A 27 5.231 -9.933 -1.091 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.570 -11.878 -1.521 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.625 -11.071 -0.286 1.00 0.00 H new ATOM 393 N VAL A 28 3.399 -8.728 -2.076 1.00 0.00 N ATOM 394 CA VAL A 28 2.990 -7.695 -3.013 1.00 0.00 C ATOM 395 C VAL A 28 3.861 -7.777 -4.268 1.00 0.00 C ATOM 396 O VAL A 28 5.088 -7.797 -4.176 1.00 0.00 O ATOM 397 CB VAL A 28 3.043 -6.324 -2.337 1.00 0.00 C ATOM 398 CG1 VAL A 28 3.138 -5.204 -3.375 1.00 0.00 C ATOM 399 CG2 VAL A 28 1.838 -6.118 -1.418 1.00 0.00 C ATOM 0 H VAL A 28 4.127 -8.445 -1.420 1.00 0.00 H new ATOM 0 HA VAL A 28 1.957 -7.849 -3.324 1.00 0.00 H new ATOM 0 HB VAL A 28 3.943 -6.289 -1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.174 -4.240 -2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.042 -5.335 -3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.266 -5.238 -4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.901 -5.135 -0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.920 -6.184 -2.002 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.833 -6.888 -0.646 1.00 0.00 H new ATOM 409 N LYS A 29 3.194 -7.824 -5.411 1.00 0.00 N ATOM 410 CA LYS A 29 3.892 -7.903 -6.683 1.00 0.00 C ATOM 411 C LYS A 29 4.135 -6.490 -7.216 1.00 0.00 C ATOM 412 O LYS A 29 5.251 -6.155 -7.609 1.00 0.00 O ATOM 413 CB LYS A 29 3.130 -8.805 -7.657 1.00 0.00 C ATOM 414 CG LYS A 29 4.058 -9.336 -8.752 1.00 0.00 C ATOM 415 CD LYS A 29 3.890 -10.847 -8.926 1.00 0.00 C ATOM 416 CE LYS A 29 3.612 -11.203 -10.388 1.00 0.00 C ATOM 417 NZ LYS A 29 3.127 -12.597 -10.499 1.00 0.00 N ATOM 0 H LYS A 29 2.177 -7.809 -5.483 1.00 0.00 H new ATOM 0 HA LYS A 29 4.870 -8.367 -6.552 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.687 -9.640 -7.114 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.310 -8.247 -8.109 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.842 -8.831 -9.694 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.093 -9.108 -8.499 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.792 -11.358 -8.589 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.071 -11.200 -8.300 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.870 -10.520 -10.800 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.521 -11.080 -10.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.943 -12.822 -11.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.848 -13.246 -10.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.248 -12.703 -9.953 1.00 0.00 H new ATOM 431 N LYS A 30 3.072 -5.699 -7.212 1.00 0.00 N ATOM 432 CA LYS A 30 3.156 -4.329 -7.690 1.00 0.00 C ATOM 433 C LYS A 30 2.398 -3.411 -6.729 1.00 0.00 C ATOM 434 O LYS A 30 1.465 -3.846 -6.055 1.00 0.00 O ATOM 435 CB LYS A 30 2.674 -4.237 -9.139 1.00 0.00 C ATOM 436 CG LYS A 30 3.328 -5.317 -10.004 1.00 0.00 C ATOM 437 CD LYS A 30 3.796 -4.739 -11.341 1.00 0.00 C ATOM 438 CE LYS A 30 3.293 -5.587 -12.511 1.00 0.00 C ATOM 439 NZ LYS A 30 4.337 -5.705 -13.552 1.00 0.00 N ATOM 0 H LYS A 30 2.148 -5.981 -6.885 1.00 0.00 H new ATOM 0 HA LYS A 30 4.192 -3.992 -7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.590 -4.346 -9.173 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.908 -3.252 -9.542 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.177 -5.749 -9.473 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.618 -6.125 -10.181 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.433 -3.716 -11.446 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.885 -4.695 -11.361 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.012 -6.578 -12.155 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.397 -5.135 -12.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.979 -6.284 -14.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.585 -4.758 -13.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.182 -6.156 -13.147 1.00 0.00 H new ATOM 453 N VAL A 31 2.825 -2.157 -6.698 1.00 0.00 N ATOM 454 CA VAL A 31 2.198 -1.174 -5.832 1.00 0.00 C ATOM 455 C VAL A 31 2.451 0.227 -6.391 1.00 0.00 C ATOM 456 O VAL A 31 3.486 0.476 -7.006 1.00 0.00 O ATOM 457 CB VAL A 31 2.700 -1.345 -4.397 1.00 0.00 C ATOM 458 CG1 VAL A 31 4.224 -1.474 -4.361 1.00 0.00 C ATOM 459 CG2 VAL A 31 2.227 -0.192 -3.509 1.00 0.00 C ATOM 0 H VAL A 31 3.598 -1.799 -7.259 1.00 0.00 H new ATOM 0 HA VAL A 31 1.119 -1.323 -5.804 1.00 0.00 H new ATOM 0 HB VAL A 31 2.276 -2.268 -4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.555 -1.594 -3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.529 -2.343 -4.944 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.675 -0.577 -4.784 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.598 -0.338 -2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.608 0.750 -3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.137 -0.166 -3.497 1.00 0.00 H new ATOM 469 N LYS A 32 1.487 1.106 -6.157 1.00 0.00 N ATOM 470 CA LYS A 32 1.592 2.476 -6.630 1.00 0.00 C ATOM 471 C LYS A 32 0.863 3.404 -5.656 1.00 0.00 C ATOM 472 O LYS A 32 0.076 2.947 -4.829 1.00 0.00 O ATOM 473 CB LYS A 32 1.094 2.584 -8.073 1.00 0.00 C ATOM 474 CG LYS A 32 1.732 3.780 -8.784 1.00 0.00 C ATOM 475 CD LYS A 32 3.258 3.708 -8.717 1.00 0.00 C ATOM 476 CE LYS A 32 3.895 4.446 -9.895 1.00 0.00 C ATOM 477 NZ LYS A 32 4.897 3.587 -10.566 1.00 0.00 N ATOM 0 H LYS A 32 0.630 0.896 -5.646 1.00 0.00 H new ATOM 0 HA LYS A 32 2.635 2.793 -6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.330 1.667 -8.613 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.009 2.688 -8.080 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.411 3.802 -9.825 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.388 4.707 -8.325 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.605 4.144 -7.780 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.577 2.666 -8.721 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.124 4.740 -10.607 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.370 5.362 -9.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.319 4.104 -11.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.642 3.328 -9.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.435 2.725 -10.919 1.00 0.00 H new ATOM 491 N VAL A 33 1.152 4.691 -5.787 1.00 0.00 N ATOM 492 CA VAL A 33 0.534 5.687 -4.929 1.00 0.00 C ATOM 493 C VAL A 33 0.406 7.005 -5.696 1.00 0.00 C ATOM 494 O VAL A 33 1.306 7.381 -6.446 1.00 0.00 O ATOM 495 CB VAL A 33 1.330 5.826 -3.630 1.00 0.00 C ATOM 496 CG1 VAL A 33 0.642 6.794 -2.666 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.550 4.462 -2.974 1.00 0.00 C ATOM 0 H VAL A 33 1.806 5.066 -6.474 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.472 5.376 -4.646 1.00 0.00 H new ATOM 0 HB VAL A 33 2.307 6.240 -3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.229 6.874 -1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.561 7.776 -3.132 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.354 6.422 -2.427 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.118 4.589 -2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.586 4.008 -2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.103 3.816 -3.655 1.00 0.00 H new ATOM 507 N GLN A 34 -0.719 7.671 -5.481 1.00 0.00 N ATOM 508 CA GLN A 34 -0.976 8.939 -6.143 1.00 0.00 C ATOM 509 C GLN A 34 -1.248 10.032 -5.107 1.00 0.00 C ATOM 510 O GLN A 34 -2.187 9.928 -4.321 1.00 0.00 O ATOM 511 CB GLN A 34 -2.140 8.817 -7.129 1.00 0.00 C ATOM 512 CG GLN A 34 -1.830 7.788 -8.218 1.00 0.00 C ATOM 513 CD GLN A 34 -2.353 6.404 -7.829 1.00 0.00 C ATOM 514 OE1 GLN A 34 -2.380 6.025 -6.669 1.00 0.00 O ATOM 515 NE2 GLN A 34 -2.764 5.671 -8.860 1.00 0.00 N ATOM 0 H GLN A 34 -1.463 7.357 -4.858 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.089 9.216 -6.712 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.045 8.526 -6.595 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.338 9.787 -7.586 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.283 8.101 -9.159 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.754 7.741 -8.383 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.714 6.049 -9.806 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.129 4.731 -8.704 1.00 0.00 H new ATOM 524 N LEU A 35 -0.407 11.056 -5.141 1.00 0.00 N ATOM 525 CA LEU A 35 -0.544 12.168 -4.215 1.00 0.00 C ATOM 526 C LEU A 35 -1.833 12.930 -4.528 1.00 0.00 C ATOM 527 O LEU A 35 -2.619 13.223 -3.629 1.00 0.00 O ATOM 528 CB LEU A 35 0.710 13.043 -4.240 1.00 0.00 C ATOM 529 CG LEU A 35 0.626 14.357 -3.461 1.00 0.00 C ATOM 530 CD1 LEU A 35 0.151 14.115 -2.027 1.00 0.00 C ATOM 531 CD2 LEU A 35 1.959 15.107 -3.504 1.00 0.00 C ATOM 0 H LEU A 35 0.371 11.139 -5.795 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.629 11.804 -3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.543 12.462 -3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.947 13.274 -5.279 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.117 14.993 -3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.100 15.065 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.837 13.655 -2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.851 13.452 -1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.871 16.037 -2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.739 14.488 -3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.217 15.331 -4.539 1.00 0.00 H new ATOM 543 N LYS A 36 -2.010 13.230 -5.807 1.00 0.00 N ATOM 544 CA LYS A 36 -3.190 13.953 -6.250 1.00 0.00 C ATOM 545 C LYS A 36 -4.343 12.966 -6.448 1.00 0.00 C ATOM 546 O LYS A 36 -5.084 13.061 -7.425 1.00 0.00 O ATOM 547 CB LYS A 36 -2.873 14.786 -7.493 1.00 0.00 C ATOM 548 CG LYS A 36 -3.988 15.795 -7.776 1.00 0.00 C ATOM 549 CD LYS A 36 -4.147 16.028 -9.280 1.00 0.00 C ATOM 550 CE LYS A 36 -5.621 15.997 -9.687 1.00 0.00 C ATOM 551 NZ LYS A 36 -6.315 17.216 -9.216 1.00 0.00 N ATOM 0 H LYS A 36 -1.356 12.985 -6.550 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.508 14.666 -5.490 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.929 15.312 -7.351 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.746 14.129 -8.353 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.927 15.431 -7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.764 16.739 -7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.712 16.990 -9.551 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.598 15.264 -9.830 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.703 15.921 -10.771 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.102 15.113 -9.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.315 17.178 -9.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.252 17.273 -8.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.867 18.055 -9.636 1.00 0.00 H new ATOM 565 N LYS A 37 -4.457 12.042 -5.506 1.00 0.00 N ATOM 566 CA LYS A 37 -5.507 11.039 -5.565 1.00 0.00 C ATOM 567 C LYS A 37 -5.953 10.690 -4.144 1.00 0.00 C ATOM 568 O LYS A 37 -7.138 10.466 -3.899 1.00 0.00 O ATOM 569 CB LYS A 37 -5.046 9.829 -6.379 1.00 0.00 C ATOM 570 CG LYS A 37 -6.169 9.317 -7.284 1.00 0.00 C ATOM 571 CD LYS A 37 -5.843 7.925 -7.828 1.00 0.00 C ATOM 572 CE LYS A 37 -6.313 7.779 -9.277 1.00 0.00 C ATOM 573 NZ LYS A 37 -5.854 6.491 -9.844 1.00 0.00 N ATOM 0 H LYS A 37 -3.840 11.966 -4.697 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.380 11.431 -6.086 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.182 10.102 -6.985 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.726 9.034 -5.706 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.104 9.283 -6.725 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.318 10.010 -8.113 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.769 7.751 -7.771 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.322 7.167 -7.208 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.401 7.835 -9.320 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.927 8.604 -9.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.380 6.289 -10.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.838 6.548 -10.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.021 5.729 -9.156 1.00 0.00 H new ATOM 587 N GLU A 38 -4.981 10.655 -3.244 1.00 0.00 N ATOM 588 CA GLU A 38 -5.259 10.337 -1.854 1.00 0.00 C ATOM 589 C GLU A 38 -5.613 8.855 -1.709 1.00 0.00 C ATOM 590 O GLU A 38 -6.457 8.492 -0.891 1.00 0.00 O ATOM 591 CB GLU A 38 -6.376 11.224 -1.301 1.00 0.00 C ATOM 592 CG GLU A 38 -5.803 12.373 -0.470 1.00 0.00 C ATOM 593 CD GLU A 38 -6.788 12.808 0.617 1.00 0.00 C ATOM 594 OE1 GLU A 38 -7.951 13.084 0.251 1.00 0.00 O ATOM 595 OE2 GLU A 38 -6.356 12.856 1.789 1.00 0.00 O ATOM 0 H GLU A 38 -4.000 10.842 -3.451 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.360 10.535 -1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.968 11.625 -2.124 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.049 10.626 -0.686 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.864 12.062 -0.012 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.576 13.218 -1.120 1.00 0.00 H new ATOM 602 N LYS A 39 -4.951 8.040 -2.516 1.00 0.00 N ATOM 603 CA LYS A 39 -5.185 6.606 -2.487 1.00 0.00 C ATOM 604 C LYS A 39 -3.941 5.880 -3.002 1.00 0.00 C ATOM 605 O LYS A 39 -3.195 6.421 -3.818 1.00 0.00 O ATOM 606 CB LYS A 39 -6.462 6.256 -3.254 1.00 0.00 C ATOM 607 CG LYS A 39 -6.909 7.424 -4.137 1.00 0.00 C ATOM 608 CD LYS A 39 -8.092 7.022 -5.020 1.00 0.00 C ATOM 609 CE LYS A 39 -9.366 6.859 -4.189 1.00 0.00 C ATOM 610 NZ LYS A 39 -10.487 7.599 -4.808 1.00 0.00 N ATOM 0 H LYS A 39 -4.253 8.345 -3.194 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.352 6.268 -1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.290 5.374 -3.871 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.255 6.003 -2.551 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.189 8.271 -3.511 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.078 7.751 -4.762 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.250 7.778 -5.789 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.866 6.087 -5.533 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.621 5.802 -4.107 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.196 7.225 -3.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.344 7.478 -4.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.247 8.609 -4.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.659 7.231 -5.765 1.00 0.00 H new ATOM 624 N ALA A 40 -3.755 4.666 -2.505 1.00 0.00 N ATOM 625 CA ALA A 40 -2.613 3.860 -2.905 1.00 0.00 C ATOM 626 C ALA A 40 -3.107 2.514 -3.437 1.00 0.00 C ATOM 627 O ALA A 40 -3.885 1.828 -2.776 1.00 0.00 O ATOM 628 CB ALA A 40 -1.658 3.704 -1.719 1.00 0.00 C ATOM 0 H ALA A 40 -4.376 4.221 -1.829 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.059 4.349 -3.707 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.802 3.100 -2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.314 4.687 -1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.178 3.214 -0.896 1.00 0.00 H new ATOM 634 N VAL A 41 -2.634 2.175 -4.628 1.00 0.00 N ATOM 635 CA VAL A 41 -3.017 0.923 -5.257 1.00 0.00 C ATOM 636 C VAL A 41 -1.929 -0.123 -5.006 1.00 0.00 C ATOM 637 O VAL A 41 -0.748 0.212 -4.926 1.00 0.00 O ATOM 638 CB VAL A 41 -3.298 1.148 -6.744 1.00 0.00 C ATOM 639 CG1 VAL A 41 -2.037 1.610 -7.476 1.00 0.00 C ATOM 640 CG2 VAL A 41 -3.877 -0.112 -7.390 1.00 0.00 C ATOM 0 H VAL A 41 -1.989 2.746 -5.174 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.940 0.543 -4.820 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.043 1.939 -6.828 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.264 1.763 -8.531 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.686 2.546 -7.041 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.261 0.851 -7.378 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.067 0.076 -8.447 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.166 -0.932 -7.289 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.811 -0.379 -6.895 1.00 0.00 H new ATOM 650 N VAL A 42 -2.366 -1.368 -4.888 1.00 0.00 N ATOM 651 CA VAL A 42 -1.443 -2.465 -4.648 1.00 0.00 C ATOM 652 C VAL A 42 -1.926 -3.706 -5.401 1.00 0.00 C ATOM 653 O VAL A 42 -3.129 -3.942 -5.510 1.00 0.00 O ATOM 654 CB VAL A 42 -1.290 -2.700 -3.144 1.00 0.00 C ATOM 655 CG1 VAL A 42 -0.373 -3.893 -2.866 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.781 -1.441 -2.441 1.00 0.00 C ATOM 0 H VAL A 42 -3.346 -1.642 -4.954 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.451 -2.220 -5.028 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.275 -2.933 -2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.281 -4.038 -1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.796 -4.790 -3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.612 -3.702 -3.292 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.681 -1.636 -1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.190 -1.162 -2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.488 -0.626 -2.597 1.00 0.00 H new ATOM 666 N LYS A 43 -0.964 -4.467 -5.902 1.00 0.00 N ATOM 667 CA LYS A 43 -1.276 -5.678 -6.641 1.00 0.00 C ATOM 668 C LYS A 43 -0.674 -6.883 -5.917 1.00 0.00 C ATOM 669 O LYS A 43 0.399 -7.360 -6.283 1.00 0.00 O ATOM 670 CB LYS A 43 -0.826 -5.548 -8.098 1.00 0.00 C ATOM 671 CG LYS A 43 -1.715 -6.380 -9.024 1.00 0.00 C ATOM 672 CD LYS A 43 -1.321 -6.180 -10.488 1.00 0.00 C ATOM 673 CE LYS A 43 -2.147 -7.082 -11.407 1.00 0.00 C ATOM 674 NZ LYS A 43 -3.129 -6.282 -12.173 1.00 0.00 N ATOM 0 H LYS A 43 0.032 -4.268 -5.810 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.354 -5.834 -6.677 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.859 -4.501 -8.400 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.210 -5.874 -8.193 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.632 -7.435 -8.762 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.758 -6.098 -8.883 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.468 -5.137 -10.768 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.261 -6.398 -10.616 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.488 -7.613 -12.093 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.666 -7.836 -10.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.681 -6.910 -12.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.769 -5.795 -11.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.628 -5.579 -12.752 1.00 0.00 H new ATOM 688 N PHE A 44 -1.390 -7.341 -4.900 1.00 0.00 N ATOM 689 CA PHE A 44 -0.939 -8.482 -4.121 1.00 0.00 C ATOM 690 C PHE A 44 -2.052 -9.522 -3.976 1.00 0.00 C ATOM 691 O PHE A 44 -3.192 -9.274 -4.367 1.00 0.00 O ATOM 692 CB PHE A 44 -0.566 -7.955 -2.733 1.00 0.00 C ATOM 693 CG PHE A 44 -1.741 -7.355 -1.959 1.00 0.00 C ATOM 694 CD1 PHE A 44 -2.292 -6.179 -2.363 1.00 0.00 C ATOM 695 CD2 PHE A 44 -2.234 -7.997 -0.866 1.00 0.00 C ATOM 696 CE1 PHE A 44 -3.383 -5.622 -1.644 1.00 0.00 C ATOM 697 CE2 PHE A 44 -3.324 -7.440 -0.147 1.00 0.00 C ATOM 698 CZ PHE A 44 -3.876 -6.264 -0.551 1.00 0.00 C ATOM 0 H PHE A 44 -2.279 -6.943 -4.598 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.094 -8.960 -4.616 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.138 -8.770 -2.149 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.210 -7.197 -2.840 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.900 -5.669 -3.230 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -1.796 -8.931 -0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.821 -4.689 -1.965 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.715 -7.950 0.721 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.705 -5.840 -0.004 1.00 0.00 H new ATOM 708 N ASP A 45 -1.683 -10.663 -3.414 1.00 0.00 N ATOM 709 CA ASP A 45 -2.635 -11.741 -3.213 1.00 0.00 C ATOM 710 C ASP A 45 -3.126 -11.719 -1.764 1.00 0.00 C ATOM 711 O ASP A 45 -2.339 -11.512 -0.842 1.00 0.00 O ATOM 712 CB ASP A 45 -1.989 -13.103 -3.473 1.00 0.00 C ATOM 713 CG ASP A 45 -2.957 -14.209 -3.897 1.00 0.00 C ATOM 714 OD1 ASP A 45 -4.175 -13.925 -3.904 1.00 0.00 O ATOM 715 OD2 ASP A 45 -2.459 -15.313 -4.205 1.00 0.00 O ATOM 0 H ASP A 45 -0.737 -10.864 -3.091 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.461 -11.595 -3.910 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.232 -12.987 -4.249 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.472 -13.421 -2.568 1.00 0.00 H new ATOM 720 N GLU A 46 -4.424 -11.936 -1.609 1.00 0.00 N ATOM 721 CA GLU A 46 -5.028 -11.944 -0.288 1.00 0.00 C ATOM 722 C GLU A 46 -4.713 -13.256 0.433 1.00 0.00 C ATOM 723 O GLU A 46 -5.071 -13.432 1.596 1.00 0.00 O ATOM 724 CB GLU A 46 -6.539 -11.716 -0.375 1.00 0.00 C ATOM 725 CG GLU A 46 -7.014 -10.768 0.728 1.00 0.00 C ATOM 726 CD GLU A 46 -8.162 -9.884 0.235 1.00 0.00 C ATOM 727 OE1 GLU A 46 -7.903 -9.081 -0.687 1.00 0.00 O ATOM 728 OE2 GLU A 46 -9.272 -10.033 0.790 1.00 0.00 O ATOM 0 H GLU A 46 -5.074 -12.108 -2.376 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.602 -11.124 0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.792 -11.301 -1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.060 -12.670 -0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.341 -11.345 1.593 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.184 -10.143 1.057 1.00 0.00 H new ATOM 735 N ALA A 47 -4.045 -14.145 -0.289 1.00 0.00 N ATOM 736 CA ALA A 47 -3.677 -15.436 0.267 1.00 0.00 C ATOM 737 C ALA A 47 -2.357 -15.301 1.028 1.00 0.00 C ATOM 738 O ALA A 47 -2.100 -16.048 1.971 1.00 0.00 O ATOM 739 CB ALA A 47 -3.601 -16.472 -0.856 1.00 0.00 C ATOM 0 H ALA A 47 -3.749 -13.996 -1.254 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.431 -15.779 0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.325 -17.441 -0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.572 -16.551 -1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.852 -16.164 -1.585 1.00 0.00 H new ATOM 745 N ASN A 48 -1.553 -14.343 0.589 1.00 0.00 N ATOM 746 CA ASN A 48 -0.265 -14.101 1.216 1.00 0.00 C ATOM 747 C ASN A 48 -0.376 -12.895 2.151 1.00 0.00 C ATOM 748 O ASN A 48 -0.032 -12.984 3.328 1.00 0.00 O ATOM 749 CB ASN A 48 0.808 -13.791 0.170 1.00 0.00 C ATOM 750 CG ASN A 48 0.362 -14.243 -1.222 1.00 0.00 C ATOM 751 OD1 ASN A 48 -0.267 -15.273 -1.397 1.00 0.00 O ATOM 752 ND2 ASN A 48 0.723 -13.416 -2.200 1.00 0.00 N ATOM 0 H ASN A 48 -1.769 -13.725 -0.193 1.00 0.00 H new ATOM 0 HA ASN A 48 0.016 -14.999 1.765 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.013 -12.721 0.160 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.738 -14.292 0.438 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.473 -13.629 -3.166 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.249 -12.569 -1.984 1.00 0.00 H new ATOM 759 N VAL A 49 -0.859 -11.796 1.591 1.00 0.00 N ATOM 760 CA VAL A 49 -1.020 -10.573 2.360 1.00 0.00 C ATOM 761 C VAL A 49 -2.402 -9.978 2.080 1.00 0.00 C ATOM 762 O VAL A 49 -2.898 -10.055 0.957 1.00 0.00 O ATOM 763 CB VAL A 49 0.122 -9.605 2.048 1.00 0.00 C ATOM 764 CG1 VAL A 49 -0.210 -8.191 2.530 1.00 0.00 C ATOM 765 CG2 VAL A 49 1.438 -10.095 2.655 1.00 0.00 C ATOM 0 H VAL A 49 -1.144 -11.726 0.614 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.967 -10.783 3.428 1.00 0.00 H new ATOM 0 HB VAL A 49 0.244 -9.570 0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.619 -7.523 2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.113 -7.839 2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.373 -8.203 3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.233 -9.388 2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.333 -10.173 3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.687 -11.073 2.243 1.00 0.00 H new ATOM 775 N GLN A 50 -2.983 -9.399 3.120 1.00 0.00 N ATOM 776 CA GLN A 50 -4.297 -8.791 3.000 1.00 0.00 C ATOM 777 C GLN A 50 -4.178 -7.266 2.998 1.00 0.00 C ATOM 778 O GLN A 50 -3.262 -6.710 3.602 1.00 0.00 O ATOM 779 CB GLN A 50 -5.225 -9.267 4.120 1.00 0.00 C ATOM 780 CG GLN A 50 -5.145 -10.785 4.291 1.00 0.00 C ATOM 781 CD GLN A 50 -6.117 -11.268 5.369 1.00 0.00 C ATOM 782 OE1 GLN A 50 -6.110 -10.808 6.499 1.00 0.00 O ATOM 783 NE2 GLN A 50 -6.952 -12.218 4.958 1.00 0.00 N ATOM 0 H GLN A 50 -2.568 -9.338 4.050 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.735 -9.103 2.052 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.953 -8.777 5.055 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.251 -8.976 3.895 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.375 -11.274 3.344 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.128 -11.071 4.559 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.904 -12.558 3.998 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.640 -12.606 5.603 1.00 0.00 H new ATOM 792 N ALA A 51 -5.118 -6.632 2.311 1.00 0.00 N ATOM 793 CA ALA A 51 -5.130 -5.182 2.222 1.00 0.00 C ATOM 794 C ALA A 51 -5.134 -4.589 3.632 1.00 0.00 C ATOM 795 O ALA A 51 -4.356 -3.684 3.931 1.00 0.00 O ATOM 796 CB ALA A 51 -6.337 -4.731 1.396 1.00 0.00 C ATOM 0 H ALA A 51 -5.876 -7.096 1.811 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.235 -4.821 1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.346 -3.643 1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.271 -5.156 0.394 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.254 -5.073 1.876 1.00 0.00 H new ATOM 802 N THR A 52 -6.019 -5.122 4.462 1.00 0.00 N ATOM 803 CA THR A 52 -6.134 -4.657 5.833 1.00 0.00 C ATOM 804 C THR A 52 -4.756 -4.599 6.495 1.00 0.00 C ATOM 805 O THR A 52 -4.459 -3.666 7.239 1.00 0.00 O ATOM 806 CB THR A 52 -7.120 -5.572 6.562 1.00 0.00 C ATOM 807 OG1 THR A 52 -8.282 -4.765 6.733 1.00 0.00 O ATOM 808 CG2 THR A 52 -6.676 -5.893 7.990 1.00 0.00 C ATOM 0 H THR A 52 -6.663 -5.872 4.211 1.00 0.00 H new ATOM 0 HA THR A 52 -6.522 -3.639 5.873 1.00 0.00 H new ATOM 0 HB THR A 52 -7.236 -6.499 6.001 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.974 -5.282 7.197 1.00 0.00 H new ATOM 0 HG21 THR A 52 -7.411 -6.545 8.462 1.00 0.00 H new ATOM 0 HG22 THR A 52 -5.708 -6.394 7.966 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.592 -4.969 8.561 1.00 0.00 H new ATOM 816 N GLU A 53 -3.950 -5.609 6.199 1.00 0.00 N ATOM 817 CA GLU A 53 -2.611 -5.685 6.756 1.00 0.00 C ATOM 818 C GLU A 53 -1.751 -4.534 6.230 1.00 0.00 C ATOM 819 O GLU A 53 -1.056 -3.872 6.999 1.00 0.00 O ATOM 820 CB GLU A 53 -1.965 -7.037 6.448 1.00 0.00 C ATOM 821 CG GLU A 53 -1.472 -7.714 7.728 1.00 0.00 C ATOM 822 CD GLU A 53 -0.185 -8.501 7.472 1.00 0.00 C ATOM 823 OE1 GLU A 53 -0.262 -9.480 6.698 1.00 0.00 O ATOM 824 OE2 GLU A 53 0.848 -8.105 8.055 1.00 0.00 O ATOM 0 H GLU A 53 -4.199 -6.381 5.581 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.684 -5.593 7.840 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.686 -7.682 5.946 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.130 -6.897 5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.295 -6.962 8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.243 -8.384 8.109 1.00 0.00 H new ATOM 831 N ILE A 54 -1.826 -4.332 4.922 1.00 0.00 N ATOM 832 CA ILE A 54 -1.063 -3.272 4.284 1.00 0.00 C ATOM 833 C ILE A 54 -1.406 -1.935 4.943 1.00 0.00 C ATOM 834 O ILE A 54 -0.530 -1.096 5.146 1.00 0.00 O ATOM 835 CB ILE A 54 -1.287 -3.288 2.771 1.00 0.00 C ATOM 836 CG1 ILE A 54 -0.629 -4.513 2.132 1.00 0.00 C ATOM 837 CG2 ILE A 54 -0.809 -1.982 2.132 1.00 0.00 C ATOM 838 CD1 ILE A 54 -0.944 -4.587 0.636 1.00 0.00 C ATOM 0 H ILE A 54 -2.403 -4.884 4.287 1.00 0.00 H new ATOM 0 HA ILE A 54 0.006 -3.432 4.426 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.358 -3.364 2.585 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.450 -4.468 2.278 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.980 -5.419 2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.980 -2.020 1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.362 -1.145 2.558 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.255 -1.850 2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.464 -5.466 0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.023 -4.656 0.494 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.570 -3.691 0.141 1.00 0.00 H new ATOM 850 N CYS A 55 -2.683 -1.777 5.258 1.00 0.00 N ATOM 851 CA CYS A 55 -3.153 -0.556 5.889 1.00 0.00 C ATOM 852 C CYS A 55 -2.334 -0.327 7.161 1.00 0.00 C ATOM 853 O CYS A 55 -1.922 0.797 7.444 1.00 0.00 O ATOM 854 CB CYS A 55 -4.655 -0.611 6.180 1.00 0.00 C ATOM 855 SG CYS A 55 -5.530 0.654 5.188 1.00 0.00 S ATOM 0 H CYS A 55 -3.407 -2.475 5.088 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.012 0.285 5.210 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.043 -1.602 5.945 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.835 -0.441 7.242 1.00 0.00 H new ATOM 0 HG CYS A 55 -6.763 0.745 5.590 1.00 0.00 H new ATOM 861 N GLN A 56 -2.123 -1.410 7.894 1.00 0.00 N ATOM 862 CA GLN A 56 -1.360 -1.341 9.129 1.00 0.00 C ATOM 863 C GLN A 56 0.037 -0.778 8.859 1.00 0.00 C ATOM 864 O GLN A 56 0.509 0.094 9.587 1.00 0.00 O ATOM 865 CB GLN A 56 -1.278 -2.714 9.800 1.00 0.00 C ATOM 866 CG GLN A 56 -1.524 -2.604 11.306 1.00 0.00 C ATOM 867 CD GLN A 56 -0.208 -2.417 12.064 1.00 0.00 C ATOM 868 OE1 GLN A 56 0.792 -3.061 11.792 1.00 0.00 O ATOM 869 NE2 GLN A 56 -0.264 -1.501 13.027 1.00 0.00 N ATOM 0 H GLN A 56 -2.467 -2.340 7.657 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.875 -0.668 9.815 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.014 -3.384 9.356 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.297 -3.153 9.619 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.188 -1.764 11.509 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.029 -3.502 11.662 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.134 -0.998 13.202 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.563 -1.302 13.590 1.00 0.00 H new ATOM 878 N ALA A 57 0.658 -1.300 7.812 1.00 0.00 N ATOM 879 CA ALA A 57 1.992 -0.860 7.438 1.00 0.00 C ATOM 880 C ALA A 57 1.969 0.645 7.164 1.00 0.00 C ATOM 881 O ALA A 57 2.942 1.345 7.442 1.00 0.00 O ATOM 882 CB ALA A 57 2.475 -1.665 6.230 1.00 0.00 C ATOM 0 H ALA A 57 0.263 -2.023 7.211 1.00 0.00 H new ATOM 0 HA ALA A 57 2.697 -1.037 8.251 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.475 -1.335 5.949 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.500 -2.724 6.485 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.794 -1.510 5.393 1.00 0.00 H new ATOM 888 N ILE A 58 0.849 1.099 6.621 1.00 0.00 N ATOM 889 CA ILE A 58 0.687 2.508 6.307 1.00 0.00 C ATOM 890 C ILE A 58 0.490 3.297 7.603 1.00 0.00 C ATOM 891 O ILE A 58 1.261 4.207 7.903 1.00 0.00 O ATOM 892 CB ILE A 58 -0.440 2.705 5.291 1.00 0.00 C ATOM 893 CG1 ILE A 58 -0.104 2.025 3.961 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.763 4.189 5.110 1.00 0.00 C ATOM 895 CD1 ILE A 58 -1.376 1.591 3.231 1.00 0.00 C ATOM 0 H ILE A 58 0.045 0.516 6.390 1.00 0.00 H new ATOM 0 HA ILE A 58 1.587 2.897 5.830 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.338 2.226 5.681 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.465 2.710 3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.530 1.157 4.142 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.567 4.300 4.383 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.076 4.612 6.064 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.124 4.713 4.754 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.109 1.111 2.289 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.930 0.888 3.853 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.996 2.465 3.030 1.00 0.00 H new ATOM 907 N ASN A 59 -0.546 2.918 8.337 1.00 0.00 N ATOM 908 CA ASN A 59 -0.854 3.578 9.594 1.00 0.00 C ATOM 909 C ASN A 59 0.378 3.537 10.502 1.00 0.00 C ATOM 910 O ASN A 59 0.586 4.440 11.311 1.00 0.00 O ATOM 911 CB ASN A 59 -2.000 2.871 10.321 1.00 0.00 C ATOM 912 CG ASN A 59 -3.341 3.538 10.010 1.00 0.00 C ATOM 913 OD1 ASN A 59 -3.501 4.744 10.106 1.00 0.00 O ATOM 914 ND2 ASN A 59 -4.292 2.689 9.631 1.00 0.00 N ATOM 0 H ASN A 59 -1.183 2.162 8.085 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.146 4.605 9.373 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.033 1.823 10.023 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.821 2.891 11.396 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.223 3.036 9.400 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.091 1.691 9.572 1.00 0.00 H new ATOM 921 N GLU A 60 1.161 2.482 10.336 1.00 0.00 N ATOM 922 CA GLU A 60 2.366 2.312 11.129 1.00 0.00 C ATOM 923 C GLU A 60 3.376 3.415 10.803 1.00 0.00 C ATOM 924 O GLU A 60 4.373 3.576 11.505 1.00 0.00 O ATOM 925 CB GLU A 60 2.977 0.927 10.909 1.00 0.00 C ATOM 926 CG GLU A 60 4.064 0.636 11.946 1.00 0.00 C ATOM 927 CD GLU A 60 3.453 0.394 13.328 1.00 0.00 C ATOM 928 OE1 GLU A 60 3.139 1.404 13.994 1.00 0.00 O ATOM 929 OE2 GLU A 60 3.315 -0.795 13.687 1.00 0.00 O ATOM 0 H GLU A 60 0.984 1.736 9.663 1.00 0.00 H new ATOM 0 HA GLU A 60 2.098 2.391 12.183 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.197 0.168 10.971 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.401 0.868 9.906 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.638 -0.238 11.640 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.760 1.474 11.994 1.00 0.00 H new ATOM 936 N LEU A 61 3.082 4.146 9.738 1.00 0.00 N ATOM 937 CA LEU A 61 3.952 5.229 9.311 1.00 0.00 C ATOM 938 C LEU A 61 3.695 6.459 10.184 1.00 0.00 C ATOM 939 O LEU A 61 4.591 7.275 10.392 1.00 0.00 O ATOM 940 CB LEU A 61 3.784 5.491 7.813 1.00 0.00 C ATOM 941 CG LEU A 61 3.896 4.268 6.901 1.00 0.00 C ATOM 942 CD1 LEU A 61 3.427 4.598 5.482 1.00 0.00 C ATOM 943 CD2 LEU A 61 5.316 3.699 6.918 1.00 0.00 C ATOM 0 H LEU A 61 2.254 4.010 9.158 1.00 0.00 H new ATOM 0 HA LEU A 61 4.998 4.955 9.448 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.809 5.951 7.652 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.535 6.219 7.505 1.00 0.00 H new ATOM 0 HG LEU A 61 3.234 3.492 7.287 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.517 3.712 4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.386 4.920 5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.044 5.398 5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.368 2.830 6.261 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.017 4.459 6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.577 3.402 7.934 1.00 0.00 H new ATOM 955 N GLY A 62 2.466 6.553 10.670 1.00 0.00 N ATOM 956 CA GLY A 62 2.079 7.670 11.515 1.00 0.00 C ATOM 957 C GLY A 62 1.009 8.526 10.836 1.00 0.00 C ATOM 958 O GLY A 62 0.788 9.673 11.224 1.00 0.00 O ATOM 0 H GLY A 62 1.725 5.874 10.495 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.701 7.297 12.467 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.953 8.282 11.737 1.00 0.00 H new ATOM 962 N TYR A 63 0.372 7.937 9.835 1.00 0.00 N ATOM 963 CA TYR A 63 -0.670 8.632 9.098 1.00 0.00 C ATOM 964 C TYR A 63 -1.973 7.831 9.104 1.00 0.00 C ATOM 965 O TYR A 63 -2.088 6.831 9.811 1.00 0.00 O ATOM 966 CB TYR A 63 -0.163 8.749 7.659 1.00 0.00 C ATOM 967 CG TYR A 63 1.361 8.740 7.534 1.00 0.00 C ATOM 968 CD1 TYR A 63 2.129 9.501 8.392 1.00 0.00 C ATOM 969 CD2 TYR A 63 1.970 7.971 6.563 1.00 0.00 C ATOM 970 CE1 TYR A 63 3.564 9.493 8.275 1.00 0.00 C ATOM 971 CE2 TYR A 63 3.405 7.963 6.445 1.00 0.00 C ATOM 972 CZ TYR A 63 4.131 8.724 7.306 1.00 0.00 C ATOM 973 OH TYR A 63 5.487 8.716 7.195 1.00 0.00 O ATOM 0 H TYR A 63 0.557 6.986 9.517 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.876 9.603 9.548 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.570 7.925 7.073 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.548 9.671 7.223 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.653 10.103 9.152 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.370 7.375 5.891 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.176 10.083 8.941 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.894 7.366 5.689 1.00 0.00 H new ATOM 0 HH TYR A 63 5.752 8.122 6.462 1.00 0.00 H new ATOM 983 N GLN A 64 -2.922 8.299 8.307 1.00 0.00 N ATOM 984 CA GLN A 64 -4.213 7.638 8.211 1.00 0.00 C ATOM 985 C GLN A 64 -4.317 6.865 6.896 1.00 0.00 C ATOM 986 O GLN A 64 -3.904 7.358 5.847 1.00 0.00 O ATOM 987 CB GLN A 64 -5.356 8.646 8.347 1.00 0.00 C ATOM 988 CG GLN A 64 -6.374 8.184 9.392 1.00 0.00 C ATOM 989 CD GLN A 64 -6.070 8.796 10.761 1.00 0.00 C ATOM 990 OE1 GLN A 64 -6.570 9.848 11.124 1.00 0.00 O ATOM 991 NE2 GLN A 64 -5.223 8.082 11.497 1.00 0.00 N ATOM 0 H GLN A 64 -2.823 9.128 7.721 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.298 6.928 9.034 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.955 9.619 8.630 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.850 8.773 7.384 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.378 8.468 9.077 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.359 7.097 9.464 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.841 7.209 11.132 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.955 8.407 12.426 1.00 0.00 H new ATOM 1000 N ALA A 65 -4.870 5.665 6.994 1.00 0.00 N ATOM 1001 CA ALA A 65 -5.034 4.818 5.824 1.00 0.00 C ATOM 1002 C ALA A 65 -6.354 4.052 5.935 1.00 0.00 C ATOM 1003 O ALA A 65 -6.685 3.530 6.998 1.00 0.00 O ATOM 1004 CB ALA A 65 -3.828 3.885 5.697 1.00 0.00 C ATOM 0 H ALA A 65 -5.210 5.259 7.866 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.078 5.421 4.917 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.950 3.250 4.820 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.919 4.477 5.592 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.754 3.262 6.589 1.00 0.00 H new ATOM 1010 N GLU A 66 -7.071 4.010 4.822 1.00 0.00 N ATOM 1011 CA GLU A 66 -8.348 3.317 4.780 1.00 0.00 C ATOM 1012 C GLU A 66 -8.519 2.601 3.439 1.00 0.00 C ATOM 1013 O GLU A 66 -8.366 3.210 2.382 1.00 0.00 O ATOM 1014 CB GLU A 66 -9.505 4.284 5.037 1.00 0.00 C ATOM 1015 CG GLU A 66 -9.906 4.280 6.513 1.00 0.00 C ATOM 1016 CD GLU A 66 -11.402 4.000 6.675 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -11.822 2.899 6.257 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -12.092 4.894 7.212 1.00 0.00 O ATOM 0 H GLU A 66 -6.792 4.444 3.942 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.360 2.569 5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.215 5.291 4.738 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.361 4.004 4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.331 3.524 7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.662 5.243 6.962 1.00 0.00 H new ATOM 1025 N VAL A 67 -8.835 1.317 3.527 1.00 0.00 N ATOM 1026 CA VAL A 67 -9.029 0.511 2.333 1.00 0.00 C ATOM 1027 C VAL A 67 -10.246 1.030 1.565 1.00 0.00 C ATOM 1028 O VAL A 67 -11.279 1.328 2.161 1.00 0.00 O ATOM 1029 CB VAL A 67 -9.147 -0.967 2.713 1.00 0.00 C ATOM 1030 CG1 VAL A 67 -9.476 -1.823 1.489 1.00 0.00 C ATOM 1031 CG2 VAL A 67 -7.872 -1.460 3.401 1.00 0.00 C ATOM 0 H VAL A 67 -8.961 0.815 4.406 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.167 0.595 1.671 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.969 -1.066 3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.554 -2.869 1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.423 -1.496 1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.685 -1.715 0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.982 -2.513 3.660 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.025 -1.340 2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.700 -0.879 4.307 1.00 0.00 H new ATOM 1041 N ILE A 68 -10.082 1.122 0.253 1.00 0.00 N ATOM 1042 CA ILE A 68 -11.154 1.600 -0.603 1.00 0.00 C ATOM 1043 C ILE A 68 -11.118 0.840 -1.930 1.00 0.00 C ATOM 1044 O ILE A 68 -12.115 0.244 -2.336 1.00 0.00 O ATOM 1045 CB ILE A 68 -11.076 3.119 -0.762 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -11.688 3.829 0.448 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -11.720 3.567 -2.076 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -10.614 4.178 1.480 1.00 0.00 C ATOM 0 H ILE A 68 -9.223 0.874 -0.238 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.124 1.400 -0.147 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.025 3.404 -0.805 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.194 4.738 0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.443 3.190 0.906 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -11.651 4.651 -2.164 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -11.200 3.101 -2.913 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.768 3.268 -2.088 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.076 4.682 2.329 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.126 3.265 1.821 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.874 4.837 1.026 1.00 0.00 H new