USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 750 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 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 34 THR OG1 : rot 180:sc= -1.81! USER MOD Set 2.2: A 35 GLN : amide:sc= -13.1! C(o=-15!,f=-2.8!) USER MOD Set 3.1: A 23 HIS : no HD1:sc= -8.27! C(o=-16!,f=-25!) USER MOD Set 3.2: A 24 HIS : no HE2:sc= -7.58! C(o=-16!,f=-16!) USER MOD Set 4.1: A 7 ASN : amide:sc= -0.423 K(o=-6,f=-3.9) USER MOD Set 4.2: A 9 LYS NZ :NH3+ -178:sc= -0.883 (180deg=-0.603) USER MOD Set 4.3: A 14 CYS SG : rot -50:sc= -4.67! USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -90:sc= -1.13! USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0539 USER MOD Single : A 25 THR OG1 : rot 90:sc= -3.78! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.409 X(o=-0.41,f=-0.25) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 164:sc= -1.47! (180deg=-2.11!) USER MOD Single : A 44 HIS : no HD1:sc= -10.6! C(o=-11!,f=-14!) USER MOD Single : A 48 ASN : amide:sc= -4.69 K(o=-4.7,f=-7.6!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.2 USER MOD Single : A 55 MET CE :methyl -147:sc= -18.8! (180deg=-20.3!) USER MOD Single : A 57 SER OG : rot 63:sc= 1.18 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -140:sc= -4.13! USER MOD Single : A 68 LYS NZ :NH3+ 156:sc= -0.182 (180deg=-0.517) USER MOD Single : A 69 GLN : amide:sc= -6.32! K(o=-6.3!,f=-4.1) USER MOD Single : A 77 MET CE :methyl 168:sc= -6.23! (180deg=-6.56!) USER MOD Single : A 80 CYS SG : rot 80:sc= -5.45! USER MOD Single : A 83 SER OG : rot 180:sc= -0.542 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -9.87! C(o=-9.9!,f=-14!) USER MOD Single : A 107 GLN : amide:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.195 USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 -8.653 -14.430 -0.424 1.00 0.00 N ATOM 12 CA LEU A 2 -7.682 -13.350 -0.344 1.00 0.00 C ATOM 13 C LEU A 2 -6.272 -13.927 -0.487 1.00 0.00 C ATOM 14 O LEU A 2 -5.979 -14.998 0.043 1.00 0.00 O ATOM 15 CB LEU A 2 -7.888 -12.539 0.936 1.00 0.00 C ATOM 16 CG LEU A 2 -6.651 -11.820 1.481 1.00 0.00 C ATOM 17 CD1 LEU A 2 -7.036 -10.814 2.567 1.00 0.00 C ATOM 18 CD2 LEU A 2 -5.606 -12.824 1.972 1.00 0.00 C ATOM 0 HA LEU A 2 -7.824 -12.647 -1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.664 -11.796 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.265 -13.208 1.710 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.197 -11.255 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.139 -10.317 2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.716 -10.071 2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.527 -11.336 3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.737 -12.288 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.034 -13.435 2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.301 -13.466 1.145 1.00 0.00 H new ATOM 29 N GLY A 3 -5.436 -13.192 -1.206 1.00 0.00 N ATOM 30 CA GLY A 3 -4.064 -13.616 -1.424 1.00 0.00 C ATOM 31 C GLY A 3 -3.082 -12.689 -0.707 1.00 0.00 C ATOM 32 O GLY A 3 -3.487 -11.861 0.108 1.00 0.00 O ATOM 0 H GLY A 3 -5.683 -12.305 -1.645 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -3.934 -14.637 -1.065 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.848 -13.624 -2.492 1.00 0.00 H new ATOM 36 N ILE A 4 -1.810 -12.858 -1.035 1.00 0.00 N ATOM 37 CA ILE A 4 -0.767 -12.047 -0.432 1.00 0.00 C ATOM 38 C ILE A 4 0.590 -12.454 -1.012 1.00 0.00 C ATOM 39 O ILE A 4 0.875 -13.641 -1.157 1.00 0.00 O ATOM 40 CB ILE A 4 -0.834 -12.135 1.094 1.00 0.00 C ATOM 41 CG1 ILE A 4 -0.609 -10.762 1.733 1.00 0.00 C ATOM 42 CG2 ILE A 4 0.146 -13.182 1.626 1.00 0.00 C ATOM 43 CD1 ILE A 4 0.416 -9.949 0.940 1.00 0.00 C ATOM 0 H ILE A 4 -1.478 -13.545 -1.711 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.916 -10.995 -0.675 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.836 -12.460 1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.553 -10.219 1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -0.264 -10.887 2.759 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.078 -13.224 2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.102 -14.158 1.209 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.161 -12.911 1.336 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.557 -8.978 1.415 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.366 -10.483 0.918 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.057 -9.805 -0.079 1.00 0.00 H new ATOM 54 N ASP A 5 1.389 -11.445 -1.327 1.00 0.00 N ATOM 55 CA ASP A 5 2.708 -11.682 -1.888 1.00 0.00 C ATOM 56 C ASP A 5 3.670 -10.599 -1.397 1.00 0.00 C ATOM 57 O ASP A 5 3.281 -9.441 -1.246 1.00 0.00 O ATOM 58 CB ASP A 5 2.676 -11.627 -3.417 1.00 0.00 C ATOM 59 CG ASP A 5 3.278 -12.844 -4.121 1.00 0.00 C ATOM 60 OD1 ASP A 5 3.808 -13.760 -3.473 1.00 0.00 O ATOM 61 OD2 ASP A 5 3.186 -12.831 -5.407 1.00 0.00 O ATOM 0 H ASP A 5 1.148 -10.461 -1.204 1.00 0.00 H new ATOM 0 HA ASP A 5 3.035 -12.672 -1.569 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.641 -11.515 -3.740 1.00 0.00 H new ATOM 0 HB3 ASP A 5 3.211 -10.735 -3.745 1.00 0.00 H new ATOM 66 N MET A 6 4.906 -11.012 -1.159 1.00 0.00 N ATOM 67 CA MET A 6 5.926 -10.091 -0.688 1.00 0.00 C ATOM 68 C MET A 6 7.213 -10.234 -1.503 1.00 0.00 C ATOM 69 O MET A 6 7.683 -11.346 -1.738 1.00 0.00 O ATOM 70 CB MET A 6 6.222 -10.367 0.788 1.00 0.00 C ATOM 71 CG MET A 6 5.125 -9.787 1.684 1.00 0.00 C ATOM 72 SD MET A 6 5.380 -10.307 3.373 1.00 0.00 S ATOM 73 CE MET A 6 3.687 -10.577 3.872 1.00 0.00 C ATOM 0 H MET A 6 5.224 -11.973 -1.284 1.00 0.00 H new ATOM 0 HA MET A 6 5.553 -9.074 -0.808 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.301 -11.442 0.952 1.00 0.00 H new ATOM 0 HB3 MET A 6 7.185 -9.932 1.057 1.00 0.00 H new ATOM 0 HG2 MET A 6 5.133 -8.699 1.625 1.00 0.00 H new ATOM 0 HG3 MET A 6 4.147 -10.118 1.336 1.00 0.00 H new ATOM 0 HE1 MET A 6 3.662 -10.909 4.910 1.00 0.00 H new ATOM 0 HE2 MET A 6 3.126 -9.647 3.774 1.00 0.00 H new ATOM 0 HE3 MET A 6 3.238 -11.340 3.237 1.00 0.00 H new ATOM 81 N ASN A 7 7.748 -9.093 -1.911 1.00 0.00 N ATOM 82 CA ASN A 7 8.972 -9.077 -2.694 1.00 0.00 C ATOM 83 C ASN A 7 9.886 -7.963 -2.180 1.00 0.00 C ATOM 84 O ASN A 7 9.444 -7.081 -1.445 1.00 0.00 O ATOM 85 CB ASN A 7 8.678 -8.804 -4.170 1.00 0.00 C ATOM 86 CG ASN A 7 9.089 -9.993 -5.040 1.00 0.00 C ATOM 87 OD1 ASN A 7 8.328 -10.917 -5.274 1.00 0.00 O ATOM 88 ND2 ASN A 7 10.333 -9.919 -5.505 1.00 0.00 N ATOM 0 H ASN A 7 7.356 -8.172 -1.714 1.00 0.00 H new ATOM 0 HA ASN A 7 9.448 -10.053 -2.596 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.615 -8.603 -4.302 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.214 -7.911 -4.492 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.702 -10.664 -6.096 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.918 -9.117 -5.271 1.00 0.00 H new ATOM 94 N VAL A 8 11.145 -8.040 -2.588 1.00 0.00 N ATOM 95 CA VAL A 8 12.126 -7.049 -2.179 1.00 0.00 C ATOM 96 C VAL A 8 12.890 -6.556 -3.409 1.00 0.00 C ATOM 97 O VAL A 8 13.171 -7.331 -4.322 1.00 0.00 O ATOM 98 CB VAL A 8 13.041 -7.634 -1.100 1.00 0.00 C ATOM 99 CG1 VAL A 8 14.501 -7.627 -1.558 1.00 0.00 C ATOM 100 CG2 VAL A 8 12.877 -6.882 0.223 1.00 0.00 C ATOM 0 H VAL A 8 11.508 -8.773 -3.197 1.00 0.00 H new ATOM 0 HA VAL A 8 11.634 -6.184 -1.735 1.00 0.00 H new ATOM 0 HB VAL A 8 12.747 -8.670 -0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.130 -8.048 -0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.601 -8.225 -2.464 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.813 -6.603 -1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.538 -7.317 0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.133 -5.832 0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.844 -6.961 0.561 1.00 0.00 H new ATOM 110 N LYS A 9 13.205 -5.269 -3.393 1.00 0.00 N ATOM 111 CA LYS A 9 13.932 -4.663 -4.496 1.00 0.00 C ATOM 112 C LYS A 9 14.807 -3.528 -3.962 1.00 0.00 C ATOM 113 O LYS A 9 14.309 -2.448 -3.652 1.00 0.00 O ATOM 114 CB LYS A 9 12.965 -4.227 -5.599 1.00 0.00 C ATOM 115 CG LYS A 9 11.577 -4.834 -5.383 1.00 0.00 C ATOM 116 CD LYS A 9 11.500 -6.245 -5.967 1.00 0.00 C ATOM 117 CE LYS A 9 10.573 -6.285 -7.184 1.00 0.00 C ATOM 118 NZ LYS A 9 9.865 -7.584 -7.254 1.00 0.00 N ATOM 0 H LYS A 9 12.970 -4.629 -2.634 1.00 0.00 H new ATOM 0 HA LYS A 9 14.600 -5.390 -4.958 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.892 -3.140 -5.614 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.353 -4.534 -6.570 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.351 -4.865 -4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.823 -4.201 -5.850 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.497 -6.579 -6.254 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.138 -6.938 -5.207 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.849 -5.472 -7.124 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.152 -6.130 -8.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.266 -7.608 -8.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.560 -8.356 -7.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.271 -7.702 -6.408 1.00 0.00 H new ATOM 127 N GLU A 10 16.098 -3.812 -3.871 1.00 0.00 N ATOM 128 CA GLU A 10 17.049 -2.829 -3.379 1.00 0.00 C ATOM 129 C GLU A 10 16.743 -2.477 -1.923 1.00 0.00 C ATOM 130 O GLU A 10 17.642 -2.112 -1.166 1.00 0.00 O ATOM 131 CB GLU A 10 17.046 -1.576 -4.259 1.00 0.00 C ATOM 132 CG GLU A 10 17.704 -0.399 -3.537 1.00 0.00 C ATOM 133 CD GLU A 10 18.539 0.441 -4.507 1.00 0.00 C ATOM 134 OE1 GLU A 10 19.538 -0.051 -5.051 1.00 0.00 O ATOM 135 OE2 GLU A 10 18.115 1.645 -4.688 1.00 0.00 O ATOM 0 H GLU A 10 16.508 -4.709 -4.130 1.00 0.00 H new ATOM 0 HA GLU A 10 18.048 -3.263 -3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.576 -1.779 -5.189 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.021 -1.317 -4.526 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.938 0.225 -3.077 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.339 -0.770 -2.732 1.00 0.00 H new ATOM 141 N SER A 11 15.471 -2.599 -1.573 1.00 0.00 N ATOM 142 CA SER A 11 15.035 -2.299 -0.220 1.00 0.00 C ATOM 143 C SER A 11 13.520 -2.090 -0.192 1.00 0.00 C ATOM 144 O SER A 11 12.942 -1.845 0.866 1.00 0.00 O ATOM 145 CB SER A 11 15.751 -1.062 0.328 1.00 0.00 C ATOM 146 OG SER A 11 16.393 -0.317 -0.703 1.00 0.00 O ATOM 0 H SER A 11 14.728 -2.902 -2.203 1.00 0.00 H new ATOM 0 HA SER A 11 15.290 -3.146 0.417 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.032 -0.424 0.842 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.490 -1.369 1.068 1.00 0.00 H new ATOM 0 HG SER A 11 17.308 -0.647 -0.824 1.00 0.00 H new ATOM 151 N VAL A 12 12.918 -2.195 -1.368 1.00 0.00 N ATOM 152 CA VAL A 12 11.481 -2.021 -1.492 1.00 0.00 C ATOM 153 C VAL A 12 10.797 -3.387 -1.409 1.00 0.00 C ATOM 154 O VAL A 12 11.059 -4.267 -2.227 1.00 0.00 O ATOM 155 CB VAL A 12 11.155 -1.266 -2.783 1.00 0.00 C ATOM 156 CG1 VAL A 12 11.476 -2.118 -4.012 1.00 0.00 C ATOM 157 CG2 VAL A 12 9.694 -0.811 -2.797 1.00 0.00 C ATOM 0 H VAL A 12 13.400 -2.399 -2.244 1.00 0.00 H new ATOM 0 HA VAL A 12 11.097 -1.415 -0.671 1.00 0.00 H new ATOM 0 HB VAL A 12 11.784 -0.376 -2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.235 -1.558 -4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.536 -2.370 -4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.885 -3.034 -3.984 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.488 -0.277 -3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.041 -1.681 -2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.511 -0.150 -1.950 1.00 0.00 H new ATOM 167 N LEU A 13 9.933 -3.521 -0.414 1.00 0.00 N ATOM 168 CA LEU A 13 9.210 -4.765 -0.213 1.00 0.00 C ATOM 169 C LEU A 13 7.852 -4.679 -0.912 1.00 0.00 C ATOM 170 O LEU A 13 6.945 -4.003 -0.430 1.00 0.00 O ATOM 171 CB LEU A 13 9.115 -5.095 1.278 1.00 0.00 C ATOM 172 CG LEU A 13 9.770 -4.093 2.230 1.00 0.00 C ATOM 173 CD1 LEU A 13 11.175 -3.722 1.753 1.00 0.00 C ATOM 174 CD2 LEU A 13 8.885 -2.860 2.422 1.00 0.00 C ATOM 0 H LEU A 13 9.717 -2.788 0.262 1.00 0.00 H new ATOM 0 HA LEU A 13 9.750 -5.597 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.062 -5.183 1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.568 -6.072 1.443 1.00 0.00 H new ATOM 0 HG LEU A 13 9.876 -4.568 3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.618 -3.008 2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.793 -4.619 1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.116 -3.274 0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.374 -2.164 3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.725 -2.374 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.925 -3.163 2.840 1.00 0.00 H new ATOM 185 N CYS A 14 7.756 -5.372 -2.036 1.00 0.00 N ATOM 186 CA CYS A 14 6.523 -5.382 -2.807 1.00 0.00 C ATOM 187 C CYS A 14 5.510 -6.267 -2.079 1.00 0.00 C ATOM 188 O CYS A 14 5.828 -7.389 -1.686 1.00 0.00 O ATOM 189 CB CYS A 14 6.759 -5.848 -4.245 1.00 0.00 C ATOM 190 SG CYS A 14 8.481 -5.482 -4.747 1.00 0.00 S ATOM 0 H CYS A 14 8.511 -5.931 -2.432 1.00 0.00 H new ATOM 0 HA CYS A 14 6.130 -4.368 -2.884 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.568 -6.918 -4.325 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.061 -5.348 -4.917 1.00 0.00 H new ATOM 0 HG CYS A 14 8.758 -4.241 -4.476 1.00 0.00 H new ATOM 195 N ILE A 15 4.309 -5.730 -1.921 1.00 0.00 N ATOM 196 CA ILE A 15 3.246 -6.456 -1.248 1.00 0.00 C ATOM 197 C ILE A 15 2.079 -6.658 -2.216 1.00 0.00 C ATOM 198 O ILE A 15 1.190 -5.813 -2.308 1.00 0.00 O ATOM 199 CB ILE A 15 2.853 -5.749 0.050 1.00 0.00 C ATOM 200 CG1 ILE A 15 3.754 -6.185 1.208 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.371 -5.965 0.366 1.00 0.00 C ATOM 202 CD1 ILE A 15 5.231 -6.043 0.836 1.00 0.00 C ATOM 0 H ILE A 15 4.049 -4.800 -2.248 1.00 0.00 H new ATOM 0 HA ILE A 15 3.590 -7.447 -0.952 1.00 0.00 H new ATOM 0 HB ILE A 15 3.001 -4.678 -0.088 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.537 -5.581 2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.539 -7.221 1.471 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.118 -5.452 1.294 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.764 -5.566 -0.446 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.174 -7.031 0.476 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.850 -6.359 1.676 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.449 -6.667 -0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.448 -5.002 0.598 1.00 0.00 H new ATOM 213 N ARG A 16 2.119 -7.783 -2.915 1.00 0.00 N ATOM 214 CA ARG A 16 1.076 -8.107 -3.873 1.00 0.00 C ATOM 215 C ARG A 16 -0.004 -8.966 -3.212 1.00 0.00 C ATOM 216 O ARG A 16 0.225 -10.137 -2.914 1.00 0.00 O ATOM 217 CB ARG A 16 1.648 -8.856 -5.078 1.00 0.00 C ATOM 218 CG ARG A 16 1.518 -8.023 -6.354 1.00 0.00 C ATOM 219 CD ARG A 16 2.878 -7.844 -7.033 1.00 0.00 C ATOM 220 NE ARG A 16 2.710 -7.142 -8.325 1.00 0.00 N ATOM 221 CZ ARG A 16 3.692 -6.995 -9.239 1.00 0.00 C ATOM 222 NH1 ARG A 16 4.922 -7.500 -9.011 1.00 0.00 N ATOM 223 NH2 ARG A 16 3.431 -6.348 -10.361 1.00 0.00 N ATOM 0 H ARG A 16 2.858 -8.482 -2.837 1.00 0.00 H new ATOM 0 HA ARG A 16 0.639 -7.170 -4.217 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.697 -9.092 -4.899 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.125 -9.804 -5.203 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.826 -8.509 -7.041 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.096 -7.047 -6.114 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.545 -7.276 -6.385 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.343 -8.816 -7.196 1.00 0.00 H new ATOM 0 HE ARG A 16 1.795 -6.745 -8.538 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.116 -7.998 -8.142 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.658 -7.384 -9.708 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.499 -5.969 -10.526 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.162 -6.228 -11.062 1.00 0.00 H new ATOM 233 N LEU A 17 -1.159 -8.351 -3.002 1.00 0.00 N ATOM 234 CA LEU A 17 -2.274 -9.045 -2.382 1.00 0.00 C ATOM 235 C LEU A 17 -3.397 -9.213 -3.408 1.00 0.00 C ATOM 236 O LEU A 17 -3.715 -8.281 -4.144 1.00 0.00 O ATOM 237 CB LEU A 17 -2.710 -8.324 -1.104 1.00 0.00 C ATOM 238 CG LEU A 17 -4.044 -7.579 -1.178 1.00 0.00 C ATOM 239 CD1 LEU A 17 -5.212 -8.509 -0.843 1.00 0.00 C ATOM 240 CD2 LEU A 17 -4.027 -6.336 -0.285 1.00 0.00 C ATOM 0 H LEU A 17 -1.346 -7.380 -3.250 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.975 -10.045 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.769 -9.057 -0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.933 -7.611 -0.829 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.188 -7.238 -2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.148 -7.954 -0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.234 -9.336 -1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.087 -8.901 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.987 -5.824 -0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.849 -6.633 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.233 -5.664 -0.611 1.00 0.00 H new ATOM 251 N THR A 18 -3.969 -10.408 -3.421 1.00 0.00 N ATOM 252 CA THR A 18 -5.050 -10.711 -4.343 1.00 0.00 C ATOM 253 C THR A 18 -6.254 -11.278 -3.587 1.00 0.00 C ATOM 254 O THR A 18 -6.177 -12.364 -3.015 1.00 0.00 O ATOM 255 CB THR A 18 -4.505 -11.658 -5.415 1.00 0.00 C ATOM 256 OG1 THR A 18 -3.600 -12.500 -4.708 1.00 0.00 O ATOM 257 CG2 THR A 18 -3.625 -10.939 -6.438 1.00 0.00 C ATOM 0 H THR A 18 -3.704 -11.178 -2.807 1.00 0.00 H new ATOM 0 HA THR A 18 -5.412 -9.810 -4.838 1.00 0.00 H new ATOM 0 HB THR A 18 -5.336 -12.142 -5.928 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.202 -13.146 -5.328 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.264 -11.656 -7.176 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.207 -10.165 -6.938 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.775 -10.483 -5.930 1.00 0.00 H new ATOM 265 N GLY A 19 -7.337 -10.514 -3.607 1.00 0.00 N ATOM 266 CA GLY A 19 -8.555 -10.926 -2.931 1.00 0.00 C ATOM 267 C GLY A 19 -9.496 -9.737 -2.725 1.00 0.00 C ATOM 268 O GLY A 19 -9.970 -9.142 -3.692 1.00 0.00 O ATOM 0 H GLY A 19 -7.396 -9.613 -4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.058 -11.695 -3.517 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.308 -11.370 -1.967 1.00 0.00 H new ATOM 272 N GLU A 20 -9.739 -9.429 -1.460 1.00 0.00 N ATOM 273 CA GLU A 20 -10.616 -8.322 -1.116 1.00 0.00 C ATOM 274 C GLU A 20 -9.885 -7.327 -0.213 1.00 0.00 C ATOM 275 O GLU A 20 -8.858 -7.658 0.378 1.00 0.00 O ATOM 276 CB GLU A 20 -11.899 -8.825 -0.450 1.00 0.00 C ATOM 277 CG GLU A 20 -13.076 -8.783 -1.427 1.00 0.00 C ATOM 278 CD GLU A 20 -14.409 -8.882 -0.683 1.00 0.00 C ATOM 279 OE1 GLU A 20 -14.477 -8.561 0.513 1.00 0.00 O ATOM 280 OE2 GLU A 20 -15.399 -9.309 -1.392 1.00 0.00 O ATOM 0 H GLU A 20 -9.345 -9.926 -0.661 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.899 -7.809 -2.035 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.753 -9.845 -0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.124 -8.212 0.423 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.044 -7.857 -2.001 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.991 -9.603 -2.140 1.00 0.00 H new ATOM 286 N LEU A 21 -10.442 -6.127 -0.134 1.00 0.00 N ATOM 287 CA LEU A 21 -9.855 -5.081 0.685 1.00 0.00 C ATOM 288 C LEU A 21 -10.874 -4.631 1.735 1.00 0.00 C ATOM 289 O LEU A 21 -11.538 -3.611 1.562 1.00 0.00 O ATOM 290 CB LEU A 21 -9.331 -3.943 -0.191 1.00 0.00 C ATOM 291 CG LEU A 21 -8.989 -2.640 0.534 1.00 0.00 C ATOM 292 CD1 LEU A 21 -9.993 -1.540 0.188 1.00 0.00 C ATOM 293 CD2 LEU A 21 -8.884 -2.864 2.045 1.00 0.00 C ATOM 0 H LEU A 21 -11.294 -5.856 -0.624 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.987 -5.461 1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.438 -4.292 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.078 -3.725 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.011 -2.304 0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.727 -0.625 0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.976 -1.357 -0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.993 -1.853 0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.640 -1.922 2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.836 -3.236 2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.101 -3.594 2.251 1.00 0.00 H new ATOM 304 N ASP A 22 -10.964 -5.414 2.800 1.00 0.00 N ATOM 305 CA ASP A 22 -11.890 -5.108 3.877 1.00 0.00 C ATOM 306 C ASP A 22 -11.223 -5.413 5.220 1.00 0.00 C ATOM 307 O ASP A 22 -10.126 -5.968 5.260 1.00 0.00 O ATOM 308 CB ASP A 22 -13.155 -5.962 3.774 1.00 0.00 C ATOM 309 CG ASP A 22 -13.054 -7.349 4.412 1.00 0.00 C ATOM 310 OD1 ASP A 22 -13.435 -7.546 5.576 1.00 0.00 O ATOM 311 OD2 ASP A 22 -12.551 -8.262 3.653 1.00 0.00 O ATOM 0 H ASP A 22 -10.411 -6.260 2.940 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.158 -4.054 3.802 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.978 -5.423 4.242 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.410 -6.081 2.721 1.00 0.00 H new ATOM 316 N HIS A 23 -11.912 -5.034 6.286 1.00 0.00 N ATOM 317 CA HIS A 23 -11.399 -5.260 7.627 1.00 0.00 C ATOM 318 C HIS A 23 -10.844 -6.681 7.732 1.00 0.00 C ATOM 319 O HIS A 23 -9.898 -6.928 8.478 1.00 0.00 O ATOM 320 CB HIS A 23 -12.474 -4.964 8.676 1.00 0.00 C ATOM 321 CG HIS A 23 -13.377 -6.136 8.976 1.00 0.00 C ATOM 322 ND1 HIS A 23 -13.391 -6.777 10.203 1.00 0.00 N ATOM 323 CD2 HIS A 23 -14.297 -6.775 8.198 1.00 0.00 C ATOM 324 CE1 HIS A 23 -14.282 -7.756 10.153 1.00 0.00 C ATOM 325 NE2 HIS A 23 -14.842 -7.754 8.910 1.00 0.00 N ATOM 0 H HIS A 23 -12.821 -4.572 6.249 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.578 -4.572 7.827 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.989 -4.646 9.599 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -13.083 -4.128 8.332 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -14.541 -6.527 7.176 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -14.523 -8.437 10.956 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -15.561 -8.398 8.581 1.00 0.00 H new ATOM 332 N HIS A 24 -11.455 -7.579 6.974 1.00 0.00 N ATOM 333 CA HIS A 24 -11.033 -8.969 6.971 1.00 0.00 C ATOM 334 C HIS A 24 -9.703 -9.101 6.225 1.00 0.00 C ATOM 335 O HIS A 24 -8.754 -9.691 6.741 1.00 0.00 O ATOM 336 CB HIS A 24 -12.128 -9.869 6.394 1.00 0.00 C ATOM 337 CG HIS A 24 -13.254 -10.161 7.358 1.00 0.00 C ATOM 338 ND1 HIS A 24 -13.118 -11.025 8.429 1.00 0.00 N ATOM 339 CD2 HIS A 24 -14.534 -9.693 7.399 1.00 0.00 C ATOM 340 CE1 HIS A 24 -14.271 -11.070 9.079 1.00 0.00 C ATOM 341 NE2 HIS A 24 -15.148 -10.244 8.439 1.00 0.00 N ATOM 0 H HIS A 24 -12.240 -7.371 6.357 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.870 -9.305 7.995 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -12.540 -9.397 5.502 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.681 -10.811 6.078 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -12.273 -11.540 8.676 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -14.974 -8.993 6.704 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -14.480 -11.657 9.961 1.00 0.00 H new ATOM 348 N THR A 25 -9.678 -8.542 5.025 1.00 0.00 N ATOM 349 CA THR A 25 -8.480 -8.589 4.203 1.00 0.00 C ATOM 350 C THR A 25 -7.450 -7.575 4.704 1.00 0.00 C ATOM 351 O THR A 25 -6.245 -7.802 4.592 1.00 0.00 O ATOM 352 CB THR A 25 -8.896 -8.365 2.748 1.00 0.00 C ATOM 353 OG1 THR A 25 -8.995 -6.948 2.630 1.00 0.00 O ATOM 354 CG2 THR A 25 -10.314 -8.862 2.461 1.00 0.00 C ATOM 0 H THR A 25 -10.467 -8.054 4.602 1.00 0.00 H new ATOM 0 HA THR A 25 -7.992 -9.561 4.270 1.00 0.00 H new ATOM 0 HB THR A 25 -8.193 -8.872 2.087 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.128 -6.581 2.356 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.559 -8.679 1.415 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.373 -9.931 2.666 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.022 -8.331 3.098 1.00 0.00 H new ATOM 362 N ALA A 26 -7.959 -6.479 5.245 1.00 0.00 N ATOM 363 CA ALA A 26 -7.098 -5.430 5.763 1.00 0.00 C ATOM 364 C ALA A 26 -6.234 -5.997 6.892 1.00 0.00 C ATOM 365 O ALA A 26 -5.158 -5.473 7.177 1.00 0.00 O ATOM 366 CB ALA A 26 -7.953 -4.247 6.221 1.00 0.00 C ATOM 0 H ALA A 26 -8.958 -6.294 5.336 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.427 -5.065 4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.307 -3.460 6.610 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.525 -3.863 5.376 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.637 -4.574 7.004 1.00 0.00 H new ATOM 372 N GLU A 27 -6.738 -7.059 7.504 1.00 0.00 N ATOM 373 CA GLU A 27 -6.026 -7.702 8.595 1.00 0.00 C ATOM 374 C GLU A 27 -4.616 -8.094 8.150 1.00 0.00 C ATOM 375 O GLU A 27 -3.632 -7.707 8.779 1.00 0.00 O ATOM 376 CB GLU A 27 -6.797 -8.919 9.111 1.00 0.00 C ATOM 377 CG GLU A 27 -6.842 -8.931 10.640 1.00 0.00 C ATOM 378 CD GLU A 27 -8.125 -8.276 11.156 1.00 0.00 C ATOM 379 OE1 GLU A 27 -9.226 -8.791 10.911 1.00 0.00 O ATOM 380 OE2 GLU A 27 -7.949 -7.194 11.835 1.00 0.00 O ATOM 0 H GLU A 27 -7.631 -7.490 7.265 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.942 -6.991 9.417 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.812 -8.906 8.714 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.325 -9.833 8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.783 -9.958 11.001 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.975 -8.403 11.037 1.00 0.00 H new ATOM 386 N THR A 28 -4.562 -8.859 7.069 1.00 0.00 N ATOM 387 CA THR A 28 -3.288 -9.309 6.534 1.00 0.00 C ATOM 388 C THR A 28 -2.286 -8.154 6.501 1.00 0.00 C ATOM 389 O THR A 28 -1.144 -8.305 6.934 1.00 0.00 O ATOM 390 CB THR A 28 -3.546 -9.928 5.158 1.00 0.00 C ATOM 391 OG1 THR A 28 -2.762 -11.118 5.161 1.00 0.00 O ATOM 392 CG2 THR A 28 -2.955 -9.095 4.020 1.00 0.00 C ATOM 0 H THR A 28 -5.380 -9.178 6.550 1.00 0.00 H new ATOM 0 HA THR A 28 -2.838 -10.071 7.171 1.00 0.00 H new ATOM 0 HB THR A 28 -4.620 -10.039 5.006 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.871 -11.584 4.306 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.167 -9.579 3.067 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.400 -8.100 4.028 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.876 -9.011 4.153 1.00 0.00 H new ATOM 400 N LEU A 29 -2.748 -7.025 5.983 1.00 0.00 N ATOM 401 CA LEU A 29 -1.907 -5.844 5.889 1.00 0.00 C ATOM 402 C LEU A 29 -1.676 -5.275 7.289 1.00 0.00 C ATOM 403 O LEU A 29 -0.673 -4.604 7.533 1.00 0.00 O ATOM 404 CB LEU A 29 -2.507 -4.836 4.906 1.00 0.00 C ATOM 405 CG LEU A 29 -1.511 -4.112 3.998 1.00 0.00 C ATOM 406 CD1 LEU A 29 -0.442 -5.074 3.478 1.00 0.00 C ATOM 407 CD2 LEU A 29 -2.234 -3.389 2.859 1.00 0.00 C ATOM 0 H LEU A 29 -3.695 -6.903 5.624 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.928 -6.104 5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.229 -5.357 4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.060 -4.088 5.475 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.999 -3.353 4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.253 -4.533 2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.102 -5.503 4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.917 -5.872 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.504 -2.882 2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.789 -4.113 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.925 -2.656 3.274 1.00 0.00 H new ATOM 418 N LYS A 30 -2.619 -5.562 8.174 1.00 0.00 N ATOM 419 CA LYS A 30 -2.530 -5.087 9.544 1.00 0.00 C ATOM 420 C LYS A 30 -1.204 -5.545 10.154 1.00 0.00 C ATOM 421 O LYS A 30 -0.522 -4.768 10.820 1.00 0.00 O ATOM 422 CB LYS A 30 -3.759 -5.525 10.343 1.00 0.00 C ATOM 423 CG LYS A 30 -4.035 -4.559 11.498 1.00 0.00 C ATOM 424 CD LYS A 30 -3.252 -4.962 12.749 1.00 0.00 C ATOM 425 CE LYS A 30 -2.409 -3.795 13.267 1.00 0.00 C ATOM 426 NZ LYS A 30 -1.840 -4.116 14.596 1.00 0.00 N ATOM 0 H LYS A 30 -3.449 -6.118 7.969 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.533 -3.997 9.570 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.628 -5.569 9.686 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.604 -6.530 10.734 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.760 -3.546 11.203 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.102 -4.548 11.720 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.943 -5.289 13.526 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.605 -5.809 12.521 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.605 -3.579 12.563 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.023 -2.897 13.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.271 -3.313 14.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.612 -4.300 15.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.238 -4.960 14.521 1.00 0.00 H new ATOM 435 N GLN A 31 -0.879 -6.805 9.904 1.00 0.00 N ATOM 436 CA GLN A 31 0.354 -7.376 10.420 1.00 0.00 C ATOM 437 C GLN A 31 1.547 -6.904 9.586 1.00 0.00 C ATOM 438 O GLN A 31 2.689 -6.969 10.037 1.00 0.00 O ATOM 439 CB GLN A 31 0.278 -8.904 10.454 1.00 0.00 C ATOM 440 CG GLN A 31 -0.093 -9.465 9.079 1.00 0.00 C ATOM 441 CD GLN A 31 0.170 -10.971 9.013 1.00 0.00 C ATOM 442 OE1 GLN A 31 1.233 -11.458 9.363 1.00 0.00 O ATOM 443 NE2 GLN A 31 -0.854 -11.679 8.546 1.00 0.00 N ATOM 0 H GLN A 31 -1.448 -7.446 9.351 1.00 0.00 H new ATOM 0 HA GLN A 31 0.492 -7.029 11.444 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.238 -9.313 10.771 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.461 -9.219 11.191 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.145 -9.266 8.873 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.485 -8.957 8.307 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.716 -11.208 8.271 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.778 -12.693 8.463 1.00 0.00 H new ATOM 450 N LYS A 32 1.241 -6.441 8.383 1.00 0.00 N ATOM 451 CA LYS A 32 2.274 -5.959 7.482 1.00 0.00 C ATOM 452 C LYS A 32 2.764 -4.590 7.960 1.00 0.00 C ATOM 453 O LYS A 32 3.925 -4.237 7.757 1.00 0.00 O ATOM 454 CB LYS A 32 1.769 -5.961 6.038 1.00 0.00 C ATOM 455 CG LYS A 32 2.862 -5.494 5.074 1.00 0.00 C ATOM 456 CD LYS A 32 4.077 -6.421 5.132 1.00 0.00 C ATOM 457 CE LYS A 32 5.102 -6.050 4.059 1.00 0.00 C ATOM 458 NZ LYS A 32 6.473 -6.083 4.617 1.00 0.00 N ATOM 0 H LYS A 32 0.293 -6.389 8.011 1.00 0.00 H new ATOM 0 HA LYS A 32 3.134 -6.629 7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.442 -6.964 5.765 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.900 -5.308 5.952 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.469 -5.468 4.058 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.164 -4.477 5.326 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.539 -6.360 6.117 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.758 -7.454 4.993 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.027 -6.743 3.221 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.886 -5.055 3.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.156 -5.829 3.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.545 -5.404 5.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.682 -7.040 4.967 1.00 0.00 H new ATOM 467 N VAL A 33 1.856 -3.859 8.587 1.00 0.00 N ATOM 468 CA VAL A 33 2.181 -2.537 9.097 1.00 0.00 C ATOM 469 C VAL A 33 3.238 -2.665 10.196 1.00 0.00 C ATOM 470 O VAL A 33 4.312 -2.074 10.100 1.00 0.00 O ATOM 471 CB VAL A 33 0.909 -1.830 9.569 1.00 0.00 C ATOM 472 CG1 VAL A 33 1.120 -0.317 9.649 1.00 0.00 C ATOM 473 CG2 VAL A 33 -0.276 -2.171 8.664 1.00 0.00 C ATOM 0 H VAL A 33 0.895 -4.156 8.754 1.00 0.00 H new ATOM 0 HA VAL A 33 2.606 -1.917 8.308 1.00 0.00 H new ATOM 0 HB VAL A 33 0.679 -2.190 10.572 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.201 0.161 9.987 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.923 -0.098 10.353 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.387 0.066 8.664 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.167 -1.656 9.022 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.058 -1.854 7.644 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.448 -3.247 8.680 1.00 0.00 H new ATOM 483 N THR A 34 2.895 -3.439 11.215 1.00 0.00 N ATOM 484 CA THR A 34 3.801 -3.651 12.330 1.00 0.00 C ATOM 485 C THR A 34 5.220 -3.913 11.823 1.00 0.00 C ATOM 486 O THR A 34 6.195 -3.560 12.484 1.00 0.00 O ATOM 487 CB THR A 34 3.240 -4.791 13.184 1.00 0.00 C ATOM 488 OG1 THR A 34 4.383 -5.579 13.505 1.00 0.00 O ATOM 489 CG2 THR A 34 2.347 -5.738 12.382 1.00 0.00 C ATOM 0 H THR A 34 2.002 -3.927 11.292 1.00 0.00 H new ATOM 0 HA THR A 34 3.873 -2.761 12.956 1.00 0.00 H new ATOM 0 HB THR A 34 2.672 -4.376 14.017 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.110 -6.340 14.059 1.00 0.00 H new ATOM 0 HG21 THR A 34 1.976 -6.528 13.035 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.505 -5.182 11.970 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.923 -6.180 11.569 1.00 0.00 H new ATOM 497 N GLN A 35 5.291 -4.533 10.654 1.00 0.00 N ATOM 498 CA GLN A 35 6.575 -4.847 10.051 1.00 0.00 C ATOM 499 C GLN A 35 7.309 -3.562 9.666 1.00 0.00 C ATOM 500 O GLN A 35 8.515 -3.443 9.878 1.00 0.00 O ATOM 501 CB GLN A 35 6.402 -5.763 8.837 1.00 0.00 C ATOM 502 CG GLN A 35 5.295 -6.792 9.081 1.00 0.00 C ATOM 503 CD GLN A 35 5.482 -7.487 10.432 1.00 0.00 C ATOM 504 OE1 GLN A 35 6.167 -8.490 10.553 1.00 0.00 O ATOM 505 NE2 GLN A 35 4.836 -6.901 11.435 1.00 0.00 N ATOM 0 H GLN A 35 4.480 -4.826 10.109 1.00 0.00 H new ATOM 0 HA GLN A 35 7.178 -5.381 10.786 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.161 -5.166 7.957 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.341 -6.276 8.627 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.323 -6.300 9.052 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.300 -7.534 8.282 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.280 -6.063 11.263 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.896 -7.289 12.376 1.00 0.00 H new ATOM 512 N SER A 36 6.552 -2.629 9.106 1.00 0.00 N ATOM 513 CA SER A 36 7.115 -1.357 8.691 1.00 0.00 C ATOM 514 C SER A 36 7.345 -0.462 9.910 1.00 0.00 C ATOM 515 O SER A 36 8.215 0.408 9.892 1.00 0.00 O ATOM 516 CB SER A 36 6.206 -0.654 7.681 1.00 0.00 C ATOM 517 OG SER A 36 6.950 0.060 6.698 1.00 0.00 O ATOM 0 H SER A 36 5.552 -2.730 8.930 1.00 0.00 H new ATOM 0 HA SER A 36 8.071 -1.551 8.205 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.571 -1.392 7.190 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.545 0.035 8.207 1.00 0.00 H new ATOM 0 HG SER A 36 6.333 0.493 6.072 1.00 0.00 H new ATOM 522 N LEU A 37 6.549 -0.705 10.941 1.00 0.00 N ATOM 523 CA LEU A 37 6.654 0.067 12.167 1.00 0.00 C ATOM 524 C LEU A 37 8.129 0.209 12.551 1.00 0.00 C ATOM 525 O LEU A 37 8.555 1.267 13.007 1.00 0.00 O ATOM 526 CB LEU A 37 5.790 -0.553 13.267 1.00 0.00 C ATOM 527 CG LEU A 37 4.614 0.297 13.755 1.00 0.00 C ATOM 528 CD1 LEU A 37 3.880 -0.393 14.906 1.00 0.00 C ATOM 529 CD2 LEU A 37 5.076 1.706 14.133 1.00 0.00 C ATOM 0 H LEU A 37 5.828 -1.426 10.952 1.00 0.00 H new ATOM 0 HA LEU A 37 6.264 1.074 12.017 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.399 -1.503 12.903 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.429 -0.778 14.121 1.00 0.00 H new ATOM 0 HG LEU A 37 3.903 0.400 12.935 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.049 0.232 15.234 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.498 -1.357 14.568 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.569 -0.546 15.737 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.222 2.289 14.476 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.817 1.644 14.930 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.519 2.189 13.262 1.00 0.00 H new ATOM 540 N GLU A 38 8.866 -0.874 12.352 1.00 0.00 N ATOM 541 CA GLU A 38 10.283 -0.884 12.670 1.00 0.00 C ATOM 542 C GLU A 38 10.964 -2.094 12.028 1.00 0.00 C ATOM 543 O GLU A 38 11.269 -3.073 12.707 1.00 0.00 O ATOM 544 CB GLU A 38 10.504 -0.870 14.184 1.00 0.00 C ATOM 545 CG GLU A 38 10.922 0.521 14.665 1.00 0.00 C ATOM 546 CD GLU A 38 12.444 0.630 14.772 1.00 0.00 C ATOM 547 OE1 GLU A 38 13.079 1.287 13.933 1.00 0.00 O ATOM 548 OE2 GLU A 38 12.967 0.004 15.770 1.00 0.00 O ATOM 0 H GLU A 38 8.508 -1.751 11.974 1.00 0.00 H new ATOM 0 HA GLU A 38 10.733 0.020 12.261 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.588 -1.174 14.691 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.272 -1.596 14.450 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.548 1.276 13.974 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.470 0.725 15.636 1.00 0.00 H new ATOM 554 N LYS A 39 11.181 -1.988 10.725 1.00 0.00 N ATOM 555 CA LYS A 39 11.820 -3.061 9.983 1.00 0.00 C ATOM 556 C LYS A 39 13.289 -3.160 10.400 1.00 0.00 C ATOM 557 O LYS A 39 13.771 -4.241 10.735 1.00 0.00 O ATOM 558 CB LYS A 39 11.620 -2.865 8.479 1.00 0.00 C ATOM 559 CG LYS A 39 11.476 -4.210 7.765 1.00 0.00 C ATOM 560 CD LYS A 39 11.985 -4.125 6.325 1.00 0.00 C ATOM 561 CE LYS A 39 13.514 -4.163 6.281 1.00 0.00 C ATOM 562 NZ LYS A 39 13.980 -5.203 5.336 1.00 0.00 N ATOM 0 H LYS A 39 10.925 -1.175 10.164 1.00 0.00 H new ATOM 0 HA LYS A 39 11.356 -4.018 10.221 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.731 -2.259 8.303 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.467 -2.318 8.064 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.033 -4.974 8.307 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.430 -4.516 7.767 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.580 -4.953 5.743 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.627 -3.205 5.863 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.899 -3.189 5.978 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.907 -4.366 7.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.982 -5.043 5.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.869 -6.142 5.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.417 -5.156 4.463 1.00 0.00 H new ATOM 571 N ASP A 40 13.959 -2.017 10.366 1.00 0.00 N ATOM 572 CA ASP A 40 15.363 -1.962 10.737 1.00 0.00 C ATOM 573 C ASP A 40 15.978 -0.670 10.198 1.00 0.00 C ATOM 574 O ASP A 40 15.934 0.367 10.858 1.00 0.00 O ATOM 575 CB ASP A 40 16.137 -3.139 10.141 1.00 0.00 C ATOM 576 CG ASP A 40 16.258 -4.363 11.053 1.00 0.00 C ATOM 577 OD1 ASP A 40 16.624 -4.246 12.232 1.00 0.00 O ATOM 578 OD2 ASP A 40 15.954 -5.487 10.499 1.00 0.00 O ATOM 0 H ASP A 40 13.556 -1.122 10.087 1.00 0.00 H new ATOM 0 HA ASP A 40 15.426 -2.003 11.824 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.650 -3.442 9.214 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.139 -2.800 9.879 1.00 0.00 H new ATOM 583 N ASP A 41 16.538 -0.773 9.001 1.00 0.00 N ATOM 584 CA ASP A 41 17.161 0.375 8.364 1.00 0.00 C ATOM 585 C ASP A 41 16.075 1.283 7.785 1.00 0.00 C ATOM 586 O ASP A 41 15.289 1.869 8.528 1.00 0.00 O ATOM 587 CB ASP A 41 18.075 -0.061 7.218 1.00 0.00 C ATOM 588 CG ASP A 41 18.821 1.077 6.518 1.00 0.00 C ATOM 589 OD1 ASP A 41 19.214 2.068 7.151 1.00 0.00 O ATOM 590 OD2 ASP A 41 18.998 0.915 5.250 1.00 0.00 O ATOM 0 H ASP A 41 16.573 -1.634 8.456 1.00 0.00 H new ATOM 0 HA ASP A 41 17.751 0.900 9.116 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.806 -0.770 7.606 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.477 -0.593 6.478 1.00 0.00 H new ATOM 595 N ILE A 42 16.066 1.373 6.463 1.00 0.00 N ATOM 596 CA ILE A 42 15.089 2.199 5.775 1.00 0.00 C ATOM 597 C ILE A 42 14.781 1.586 4.407 1.00 0.00 C ATOM 598 O ILE A 42 15.348 1.998 3.397 1.00 0.00 O ATOM 599 CB ILE A 42 15.570 3.650 5.705 1.00 0.00 C ATOM 600 CG1 ILE A 42 15.088 4.448 6.918 1.00 0.00 C ATOM 601 CG2 ILE A 42 15.152 4.303 4.385 1.00 0.00 C ATOM 602 CD1 ILE A 42 13.564 4.397 7.037 1.00 0.00 C ATOM 0 H ILE A 42 16.720 0.887 5.850 1.00 0.00 H new ATOM 0 HA ILE A 42 14.152 2.224 6.331 1.00 0.00 H new ATOM 0 HB ILE A 42 16.660 3.650 5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 42 15.541 4.047 7.825 1.00 0.00 H new ATOM 0 HG13 ILE A 42 15.415 5.484 6.830 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.506 5.334 4.361 1.00 0.00 H new ATOM 0 HG22 ILE A 42 15.586 3.750 3.552 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.065 4.291 4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.248 4.972 7.907 1.00 0.00 H new ATOM 0 HD12 ILE A 42 13.115 4.821 6.139 1.00 0.00 H new ATOM 0 HD13 ILE A 42 13.242 3.362 7.150 1.00 0.00 H new ATOM 613 N ARG A 43 13.883 0.611 4.420 1.00 0.00 N ATOM 614 CA ARG A 43 13.492 -0.063 3.194 1.00 0.00 C ATOM 615 C ARG A 43 12.427 0.752 2.456 1.00 0.00 C ATOM 616 O ARG A 43 12.189 1.912 2.788 1.00 0.00 O ATOM 617 CB ARG A 43 12.945 -1.461 3.484 1.00 0.00 C ATOM 618 CG ARG A 43 14.039 -2.520 3.334 1.00 0.00 C ATOM 619 CD ARG A 43 15.403 -1.962 3.746 1.00 0.00 C ATOM 620 NE ARG A 43 16.209 -3.022 4.392 1.00 0.00 N ATOM 621 CZ ARG A 43 17.008 -3.880 3.722 1.00 0.00 C ATOM 622 NH1 ARG A 43 17.114 -3.809 2.379 1.00 0.00 N ATOM 623 NH2 ARG A 43 17.684 -4.788 4.401 1.00 0.00 N ATOM 0 H ARG A 43 13.415 0.272 5.261 1.00 0.00 H new ATOM 0 HA ARG A 43 14.380 -0.156 2.569 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.538 -1.494 4.495 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.124 -1.683 2.803 1.00 0.00 H new ATOM 0 HG2 ARG A 43 13.797 -3.388 3.948 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.079 -2.862 2.300 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.927 -1.577 2.871 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.271 -1.125 4.432 1.00 0.00 H new ATOM 0 HE ARG A 43 16.158 -3.110 5.407 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.589 -3.104 1.863 1.00 0.00 H new ATOM 0 HH12 ARG A 43 17.720 -4.461 1.880 1.00 0.00 H new ATOM 0 HH21 ARG A 43 17.598 -4.834 5.416 1.00 0.00 H new ATOM 0 HH22 ARG A 43 18.292 -5.444 3.910 1.00 0.00 H new ATOM 633 N HIS A 44 11.815 0.112 1.472 1.00 0.00 N ATOM 634 CA HIS A 44 10.781 0.762 0.686 1.00 0.00 C ATOM 635 C HIS A 44 9.578 -0.174 0.544 1.00 0.00 C ATOM 636 O HIS A 44 9.720 -1.392 0.644 1.00 0.00 O ATOM 637 CB HIS A 44 11.334 1.224 -0.664 1.00 0.00 C ATOM 638 CG HIS A 44 12.341 2.345 -0.564 1.00 0.00 C ATOM 639 ND1 HIS A 44 12.158 3.444 0.257 1.00 0.00 N ATOM 640 CD2 HIS A 44 13.540 2.525 -1.188 1.00 0.00 C ATOM 641 CE1 HIS A 44 13.207 4.244 0.123 1.00 0.00 C ATOM 642 NE2 HIS A 44 14.061 3.672 -0.773 1.00 0.00 N ATOM 0 H HIS A 44 12.015 -0.851 1.201 1.00 0.00 H new ATOM 0 HA HIS A 44 10.440 1.660 1.201 1.00 0.00 H new ATOM 0 HB2 HIS A 44 11.799 0.375 -1.164 1.00 0.00 H new ATOM 0 HB3 HIS A 44 10.505 1.549 -1.293 1.00 0.00 H new ATOM 0 HD2 HIS A 44 13.989 1.848 -1.900 1.00 0.00 H new ATOM 0 HE1 HIS A 44 13.358 5.183 0.634 1.00 0.00 H new ATOM 0 HE2 HIS A 44 14.954 4.062 -1.075 1.00 0.00 H new ATOM 649 N ILE A 45 8.423 0.431 0.314 1.00 0.00 N ATOM 650 CA ILE A 45 7.196 -0.333 0.158 1.00 0.00 C ATOM 651 C ILE A 45 6.814 -0.380 -1.322 1.00 0.00 C ATOM 652 O ILE A 45 7.270 0.446 -2.112 1.00 0.00 O ATOM 653 CB ILE A 45 6.096 0.230 1.060 1.00 0.00 C ATOM 654 CG1 ILE A 45 5.861 1.715 0.775 1.00 0.00 C ATOM 655 CG2 ILE A 45 6.410 -0.028 2.535 1.00 0.00 C ATOM 656 CD1 ILE A 45 6.311 2.080 -0.640 1.00 0.00 C ATOM 0 H ILE A 45 8.310 1.441 0.232 1.00 0.00 H new ATOM 0 HA ILE A 45 7.345 -1.363 0.481 1.00 0.00 H new ATOM 0 HB ILE A 45 5.167 -0.293 0.833 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.803 1.949 0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.406 2.319 1.501 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.612 0.382 3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.488 -1.101 2.708 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.354 0.451 2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.133 3.141 -0.816 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.374 1.868 -0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.747 1.492 -1.364 1.00 0.00 H new ATOM 667 N VAL A 46 5.981 -1.355 -1.655 1.00 0.00 N ATOM 668 CA VAL A 46 5.532 -1.520 -3.027 1.00 0.00 C ATOM 669 C VAL A 46 4.220 -2.306 -3.039 1.00 0.00 C ATOM 670 O VAL A 46 4.223 -3.522 -3.219 1.00 0.00 O ATOM 671 CB VAL A 46 6.632 -2.180 -3.862 1.00 0.00 C ATOM 672 CG1 VAL A 46 6.034 -3.117 -4.913 1.00 0.00 C ATOM 673 CG2 VAL A 46 7.533 -1.129 -4.511 1.00 0.00 C ATOM 0 H VAL A 46 5.605 -2.039 -0.998 1.00 0.00 H new ATOM 0 HA VAL A 46 5.334 -0.550 -3.483 1.00 0.00 H new ATOM 0 HB VAL A 46 7.248 -2.779 -3.192 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.837 -3.573 -5.493 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.455 -3.897 -4.418 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.383 -2.550 -5.578 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.306 -1.625 -5.098 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.936 -0.490 -5.162 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.000 -0.522 -3.736 1.00 0.00 H new ATOM 683 N LEU A 47 3.130 -1.578 -2.845 1.00 0.00 N ATOM 684 CA LEU A 47 1.813 -2.193 -2.831 1.00 0.00 C ATOM 685 C LEU A 47 1.297 -2.316 -4.266 1.00 0.00 C ATOM 686 O LEU A 47 1.696 -1.548 -5.141 1.00 0.00 O ATOM 687 CB LEU A 47 0.871 -1.422 -1.904 1.00 0.00 C ATOM 688 CG LEU A 47 1.259 -1.399 -0.423 1.00 0.00 C ATOM 689 CD1 LEU A 47 0.898 -2.720 0.259 1.00 0.00 C ATOM 690 CD2 LEU A 47 2.738 -1.050 -0.249 1.00 0.00 C ATOM 0 H LEU A 47 3.132 -0.569 -2.696 1.00 0.00 H new ATOM 0 HA LEU A 47 1.869 -3.202 -2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.806 -0.393 -2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.126 -1.853 -1.991 1.00 0.00 H new ATOM 0 HG LEU A 47 0.683 -0.615 0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.184 -2.677 1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.176 -2.888 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.429 -3.538 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.987 -1.040 0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.350 -1.794 -0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.932 -0.066 -0.676 1.00 0.00 H new ATOM 701 N ASN A 48 0.417 -3.286 -4.464 1.00 0.00 N ATOM 702 CA ASN A 48 -0.157 -3.520 -5.778 1.00 0.00 C ATOM 703 C ASN A 48 -1.146 -4.685 -5.699 1.00 0.00 C ATOM 704 O ASN A 48 -0.743 -5.835 -5.533 1.00 0.00 O ATOM 705 CB ASN A 48 0.925 -3.887 -6.795 1.00 0.00 C ATOM 706 CG ASN A 48 2.030 -4.722 -6.143 1.00 0.00 C ATOM 707 OD1 ASN A 48 1.875 -5.270 -5.064 1.00 0.00 O ATOM 708 ND2 ASN A 48 3.150 -4.788 -6.857 1.00 0.00 N ATOM 0 H ASN A 48 0.087 -3.920 -3.736 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.654 -2.604 -6.096 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.480 -4.445 -7.619 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.353 -2.979 -7.220 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.946 -5.322 -6.508 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.213 -4.305 -7.753 1.00 0.00 H new ATOM 714 N LEU A 49 -2.421 -4.346 -5.820 1.00 0.00 N ATOM 715 CA LEU A 49 -3.470 -5.350 -5.764 1.00 0.00 C ATOM 716 C LEU A 49 -4.064 -5.539 -7.161 1.00 0.00 C ATOM 717 O LEU A 49 -4.542 -4.584 -7.770 1.00 0.00 O ATOM 718 CB LEU A 49 -4.506 -4.983 -4.699 1.00 0.00 C ATOM 719 CG LEU A 49 -5.901 -4.624 -5.217 1.00 0.00 C ATOM 720 CD1 LEU A 49 -6.963 -4.870 -4.144 1.00 0.00 C ATOM 721 CD2 LEU A 49 -5.938 -3.187 -5.741 1.00 0.00 C ATOM 0 H LEU A 49 -2.751 -3.391 -5.957 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.060 -6.313 -5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.601 -5.821 -4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.125 -4.139 -4.125 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.133 -5.279 -6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.945 -4.607 -4.537 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.956 -5.922 -3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.746 -4.256 -3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.940 -2.957 -6.103 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.676 -2.500 -4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.224 -3.079 -6.557 1.00 0.00 H new ATOM 732 N GLU A 50 -4.015 -6.779 -7.627 1.00 0.00 N ATOM 733 CA GLU A 50 -4.543 -7.105 -8.941 1.00 0.00 C ATOM 734 C GLU A 50 -5.953 -7.685 -8.818 1.00 0.00 C ATOM 735 O GLU A 50 -6.726 -7.654 -9.774 1.00 0.00 O ATOM 736 CB GLU A 50 -3.615 -8.073 -9.678 1.00 0.00 C ATOM 737 CG GLU A 50 -3.180 -7.495 -11.027 1.00 0.00 C ATOM 738 CD GLU A 50 -4.275 -7.676 -12.080 1.00 0.00 C ATOM 739 OE1 GLU A 50 -5.200 -8.478 -11.881 1.00 0.00 O ATOM 740 OE2 GLU A 50 -4.142 -6.946 -13.135 1.00 0.00 O ATOM 0 H GLU A 50 -3.618 -7.569 -7.118 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.599 -6.188 -9.527 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.737 -8.278 -9.066 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.124 -9.024 -9.833 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.950 -6.436 -10.915 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.266 -7.987 -11.360 1.00 0.00 H new ATOM 746 N ASP A 51 -6.245 -8.199 -7.631 1.00 0.00 N ATOM 747 CA ASP A 51 -7.549 -8.785 -7.371 1.00 0.00 C ATOM 748 C ASP A 51 -8.382 -7.812 -6.533 1.00 0.00 C ATOM 749 O ASP A 51 -8.683 -8.089 -5.373 1.00 0.00 O ATOM 750 CB ASP A 51 -7.419 -10.093 -6.588 1.00 0.00 C ATOM 751 CG ASP A 51 -8.741 -10.687 -6.096 1.00 0.00 C ATOM 752 OD1 ASP A 51 -9.788 -10.023 -6.124 1.00 0.00 O ATOM 753 OD2 ASP A 51 -8.667 -11.900 -5.665 1.00 0.00 O ATOM 0 H ASP A 51 -5.601 -8.222 -6.840 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.026 -8.986 -8.330 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.920 -10.829 -7.219 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.773 -9.921 -5.727 1.00 0.00 H new ATOM 758 N LEU A 52 -8.729 -6.694 -7.153 1.00 0.00 N ATOM 759 CA LEU A 52 -9.520 -5.680 -6.479 1.00 0.00 C ATOM 760 C LEU A 52 -11.003 -5.918 -6.771 1.00 0.00 C ATOM 761 O LEU A 52 -11.406 -5.997 -7.930 1.00 0.00 O ATOM 762 CB LEU A 52 -9.035 -4.280 -6.861 1.00 0.00 C ATOM 763 CG LEU A 52 -9.900 -3.115 -6.375 1.00 0.00 C ATOM 764 CD1 LEU A 52 -11.338 -3.251 -6.880 1.00 0.00 C ATOM 765 CD2 LEU A 52 -9.837 -2.983 -4.852 1.00 0.00 C ATOM 0 H LEU A 52 -8.477 -6.468 -8.115 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.392 -5.753 -5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.027 -4.147 -6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.964 -4.225 -7.947 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.498 -2.193 -6.795 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.931 -2.410 -6.520 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.342 -3.258 -7.970 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.767 -4.182 -6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.460 -2.148 -4.533 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.199 -3.902 -4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.807 -2.805 -4.545 1.00 0.00 H new ATOM 776 N SER A 53 -11.775 -6.025 -5.700 1.00 0.00 N ATOM 777 CA SER A 53 -13.204 -6.253 -5.827 1.00 0.00 C ATOM 778 C SER A 53 -13.966 -5.354 -4.852 1.00 0.00 C ATOM 779 O SER A 53 -14.337 -4.233 -5.195 1.00 0.00 O ATOM 780 CB SER A 53 -13.553 -7.722 -5.578 1.00 0.00 C ATOM 781 OG SER A 53 -14.940 -7.903 -5.307 1.00 0.00 O ATOM 0 H SER A 53 -11.438 -5.958 -4.740 1.00 0.00 H new ATOM 0 HA SER A 53 -13.500 -6.006 -6.847 1.00 0.00 H new ATOM 0 HB2 SER A 53 -13.274 -8.314 -6.450 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.968 -8.096 -4.738 1.00 0.00 H new ATOM 0 HG SER A 53 -15.122 -8.854 -5.155 1.00 0.00 H new ATOM 786 N PHE A 54 -14.178 -5.879 -3.654 1.00 0.00 N ATOM 787 CA PHE A 54 -14.890 -5.138 -2.626 1.00 0.00 C ATOM 788 C PHE A 54 -14.209 -3.796 -2.348 1.00 0.00 C ATOM 789 O PHE A 54 -14.766 -2.741 -2.647 1.00 0.00 O ATOM 790 CB PHE A 54 -14.851 -5.989 -1.354 1.00 0.00 C ATOM 791 CG PHE A 54 -15.434 -5.292 -0.123 1.00 0.00 C ATOM 792 CD1 PHE A 54 -16.756 -4.977 -0.082 1.00 0.00 C ATOM 793 CD2 PHE A 54 -14.629 -4.988 0.931 1.00 0.00 C ATOM 794 CE1 PHE A 54 -17.297 -4.330 1.061 1.00 0.00 C ATOM 795 CE2 PHE A 54 -15.169 -4.343 2.074 1.00 0.00 C ATOM 796 CZ PHE A 54 -16.492 -4.027 2.115 1.00 0.00 C ATOM 0 H PHE A 54 -13.869 -6.809 -3.372 1.00 0.00 H new ATOM 0 HA PHE A 54 -15.911 -4.937 -2.951 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.401 -6.913 -1.530 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.818 -6.267 -1.146 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -17.395 -5.219 -0.919 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.579 -5.238 0.898 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -18.347 -4.079 1.093 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.530 -4.103 2.911 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.903 -3.536 2.984 1.00 0.00 H new ATOM 805 N MET A 55 -13.016 -3.880 -1.780 1.00 0.00 N ATOM 806 CA MET A 55 -12.254 -2.685 -1.459 1.00 0.00 C ATOM 807 C MET A 55 -13.172 -1.571 -0.949 1.00 0.00 C ATOM 808 O MET A 55 -13.736 -0.816 -1.740 1.00 0.00 O ATOM 809 CB MET A 55 -11.510 -2.203 -2.706 1.00 0.00 C ATOM 810 CG MET A 55 -11.592 -0.680 -2.840 1.00 0.00 C ATOM 811 SD MET A 55 -13.040 -0.228 -3.780 1.00 0.00 S ATOM 812 CE MET A 55 -13.209 -1.678 -4.806 1.00 0.00 C ATOM 0 H MET A 55 -12.558 -4.757 -1.533 1.00 0.00 H new ATOM 0 HA MET A 55 -11.541 -2.932 -0.673 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.466 -2.511 -2.653 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.936 -2.673 -3.592 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.632 -0.221 -1.852 1.00 0.00 H new ATOM 0 HG3 MET A 55 -10.696 -0.301 -3.332 1.00 0.00 H new ATOM 0 HE1 MET A 55 -13.613 -1.392 -5.777 1.00 0.00 H new ATOM 0 HE2 MET A 55 -12.233 -2.143 -4.942 1.00 0.00 H new ATOM 0 HE3 MET A 55 -13.885 -2.386 -4.327 1.00 0.00 H new ATOM 820 N ASP A 56 -13.291 -1.503 0.369 1.00 0.00 N ATOM 821 CA ASP A 56 -14.130 -0.494 0.993 1.00 0.00 C ATOM 822 C ASP A 56 -13.264 0.405 1.878 1.00 0.00 C ATOM 823 O ASP A 56 -12.062 0.533 1.652 1.00 0.00 O ATOM 824 CB ASP A 56 -15.201 -1.137 1.875 1.00 0.00 C ATOM 825 CG ASP A 56 -16.514 -0.358 1.970 1.00 0.00 C ATOM 826 OD1 ASP A 56 -16.942 0.042 3.062 1.00 0.00 O ATOM 827 OD2 ASP A 56 -17.115 -0.165 0.845 1.00 0.00 O ATOM 0 H ASP A 56 -12.821 -2.130 1.022 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.613 0.081 0.202 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.415 -2.135 1.492 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.796 -1.261 2.879 1.00 0.00 H new ATOM 832 N SER A 57 -13.910 1.005 2.867 1.00 0.00 N ATOM 833 CA SER A 57 -13.216 1.889 3.787 1.00 0.00 C ATOM 834 C SER A 57 -12.874 1.138 5.077 1.00 0.00 C ATOM 835 O SER A 57 -12.843 1.730 6.154 1.00 0.00 O ATOM 836 CB SER A 57 -14.056 3.128 4.102 1.00 0.00 C ATOM 837 OG SER A 57 -14.768 2.993 5.329 1.00 0.00 O ATOM 0 H SER A 57 -14.907 0.896 3.051 1.00 0.00 H new ATOM 0 HA SER A 57 -12.293 2.221 3.311 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.407 4.002 4.154 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.762 3.303 3.290 1.00 0.00 H new ATOM 0 HG SER A 57 -14.131 2.902 6.068 1.00 0.00 H new ATOM 842 N SER A 58 -12.626 -0.155 4.922 1.00 0.00 N ATOM 843 CA SER A 58 -12.287 -0.992 6.060 1.00 0.00 C ATOM 844 C SER A 58 -10.768 -1.061 6.226 1.00 0.00 C ATOM 845 O SER A 58 -10.259 -1.015 7.345 1.00 0.00 O ATOM 846 CB SER A 58 -12.868 -2.398 5.901 1.00 0.00 C ATOM 847 OG SER A 58 -14.089 -2.392 5.166 1.00 0.00 O ATOM 0 H SER A 58 -12.653 -0.642 4.026 1.00 0.00 H new ATOM 0 HA SER A 58 -12.723 -0.546 6.954 1.00 0.00 H new ATOM 0 HB2 SER A 58 -12.143 -3.035 5.394 1.00 0.00 H new ATOM 0 HB3 SER A 58 -13.040 -2.833 6.886 1.00 0.00 H new ATOM 0 HG SER A 58 -14.427 -3.308 5.085 1.00 0.00 H new ATOM 852 N GLY A 59 -10.085 -1.170 5.095 1.00 0.00 N ATOM 853 CA GLY A 59 -8.634 -1.246 5.101 1.00 0.00 C ATOM 854 C GLY A 59 -8.013 0.108 4.752 1.00 0.00 C ATOM 855 O GLY A 59 -6.793 0.259 4.773 1.00 0.00 O ATOM 0 H GLY A 59 -10.510 -1.207 4.169 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.287 -1.567 6.083 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.303 -1.998 4.385 1.00 0.00 H new ATOM 859 N LEU A 60 -8.882 1.058 4.439 1.00 0.00 N ATOM 860 CA LEU A 60 -8.434 2.394 4.085 1.00 0.00 C ATOM 861 C LEU A 60 -7.469 2.904 5.158 1.00 0.00 C ATOM 862 O LEU A 60 -6.428 3.478 4.840 1.00 0.00 O ATOM 863 CB LEU A 60 -9.632 3.316 3.849 1.00 0.00 C ATOM 864 CG LEU A 60 -9.549 4.220 2.616 1.00 0.00 C ATOM 865 CD1 LEU A 60 -8.883 5.554 2.961 1.00 0.00 C ATOM 866 CD2 LEU A 60 -8.844 3.509 1.461 1.00 0.00 C ATOM 0 H LEU A 60 -9.894 0.929 4.423 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.885 2.375 3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.528 2.701 3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.760 3.946 4.729 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.563 4.442 2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.836 6.179 2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.464 6.063 3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.874 5.372 3.330 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.799 4.173 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.833 3.238 1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.397 2.608 1.196 1.00 0.00 H new ATOM 877 N GLY A 61 -7.849 2.677 6.407 1.00 0.00 N ATOM 878 CA GLY A 61 -7.030 3.107 7.528 1.00 0.00 C ATOM 879 C GLY A 61 -5.856 2.151 7.747 1.00 0.00 C ATOM 880 O GLY A 61 -4.780 2.571 8.168 1.00 0.00 O ATOM 0 H GLY A 61 -8.713 2.201 6.667 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.655 4.114 7.344 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.639 3.154 8.431 1.00 0.00 H new ATOM 884 N VAL A 62 -6.103 0.883 7.452 1.00 0.00 N ATOM 885 CA VAL A 62 -5.080 -0.135 7.611 1.00 0.00 C ATOM 886 C VAL A 62 -3.920 0.159 6.657 1.00 0.00 C ATOM 887 O VAL A 62 -2.785 -0.242 6.913 1.00 0.00 O ATOM 888 CB VAL A 62 -5.687 -1.525 7.403 1.00 0.00 C ATOM 889 CG1 VAL A 62 -5.227 -2.130 6.075 1.00 0.00 C ATOM 890 CG2 VAL A 62 -5.352 -2.451 8.573 1.00 0.00 C ATOM 0 H VAL A 62 -6.997 0.538 7.104 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.680 -0.118 8.625 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.771 -1.415 7.364 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.672 -3.117 5.951 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.540 -1.485 5.254 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.141 -2.219 6.073 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.795 -3.432 8.399 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.270 -2.552 8.659 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.751 -2.030 9.496 1.00 0.00 H new ATOM 900 N ILE A 63 -4.245 0.858 5.579 1.00 0.00 N ATOM 901 CA ILE A 63 -3.244 1.211 4.587 1.00 0.00 C ATOM 902 C ILE A 63 -2.597 2.543 4.972 1.00 0.00 C ATOM 903 O ILE A 63 -1.407 2.749 4.741 1.00 0.00 O ATOM 904 CB ILE A 63 -3.856 1.208 3.185 1.00 0.00 C ATOM 905 CG1 ILE A 63 -3.731 -0.173 2.536 1.00 0.00 C ATOM 906 CG2 ILE A 63 -3.242 2.307 2.316 1.00 0.00 C ATOM 907 CD1 ILE A 63 -5.107 -0.731 2.167 1.00 0.00 C ATOM 0 H ILE A 63 -5.187 1.189 5.371 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.450 0.465 4.566 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.920 1.427 3.276 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.111 -0.104 1.642 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.229 -0.857 3.221 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.695 2.283 1.325 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.425 3.279 2.775 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.168 2.144 2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.990 -1.713 1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.716 -0.821 3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.596 -0.057 1.464 1.00 0.00 H new ATOM 918 N LEU A 64 -3.411 3.413 5.554 1.00 0.00 N ATOM 919 CA LEU A 64 -2.934 4.719 5.974 1.00 0.00 C ATOM 920 C LEU A 64 -1.914 4.547 7.102 1.00 0.00 C ATOM 921 O LEU A 64 -0.868 5.192 7.102 1.00 0.00 O ATOM 922 CB LEU A 64 -4.110 5.628 6.340 1.00 0.00 C ATOM 923 CG LEU A 64 -4.015 7.075 5.855 1.00 0.00 C ATOM 924 CD1 LEU A 64 -2.558 7.486 5.634 1.00 0.00 C ATOM 925 CD2 LEU A 64 -4.868 7.290 4.602 1.00 0.00 C ATOM 0 H LEU A 64 -4.398 3.238 5.744 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.420 5.218 5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.022 5.189 5.936 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.214 5.635 7.425 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.417 7.723 6.634 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.520 8.519 5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.008 7.395 6.571 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.106 6.836 4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.783 8.327 4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.519 6.631 3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.910 7.065 4.828 1.00 0.00 H new ATOM 936 N GLY A 65 -2.257 3.673 8.037 1.00 0.00 N ATOM 937 CA GLY A 65 -1.386 3.407 9.169 1.00 0.00 C ATOM 938 C GLY A 65 -0.003 2.951 8.701 1.00 0.00 C ATOM 939 O GLY A 65 0.978 3.081 9.431 1.00 0.00 O ATOM 0 H GLY A 65 -3.127 3.140 8.034 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.290 4.306 9.778 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.831 2.640 9.802 1.00 0.00 H new ATOM 943 N ARG A 66 0.032 2.425 7.485 1.00 0.00 N ATOM 944 CA ARG A 66 1.278 1.947 6.911 1.00 0.00 C ATOM 945 C ARG A 66 2.061 3.112 6.300 1.00 0.00 C ATOM 946 O ARG A 66 3.289 3.145 6.372 1.00 0.00 O ATOM 947 CB ARG A 66 1.019 0.895 5.830 1.00 0.00 C ATOM 948 CG ARG A 66 1.638 -0.450 6.217 1.00 0.00 C ATOM 949 CD ARG A 66 1.117 -1.573 5.318 1.00 0.00 C ATOM 950 NE ARG A 66 1.994 -1.721 4.135 1.00 0.00 N ATOM 951 CZ ARG A 66 3.298 -2.067 4.199 1.00 0.00 C ATOM 952 NH1 ARG A 66 3.887 -2.302 5.391 1.00 0.00 N ATOM 953 NH2 ARG A 66 3.988 -2.171 3.079 1.00 0.00 N ATOM 0 H ARG A 66 -0.783 2.319 6.881 1.00 0.00 H new ATOM 0 HA ARG A 66 1.860 1.492 7.713 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.054 0.777 5.682 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.436 1.232 4.881 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.724 -0.391 6.138 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.406 -0.675 7.258 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.082 -2.509 5.875 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.098 -1.353 5.000 1.00 0.00 H new ATOM 0 HE ARG A 66 1.589 -1.551 3.215 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.347 -2.219 6.252 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.872 -2.563 5.430 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.536 -1.991 2.183 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.974 -2.431 3.110 1.00 0.00 H new ATOM 963 N TYR A 67 1.318 4.040 5.715 1.00 0.00 N ATOM 964 CA TYR A 67 1.928 5.204 5.092 1.00 0.00 C ATOM 965 C TYR A 67 2.732 6.012 6.113 1.00 0.00 C ATOM 966 O TYR A 67 3.863 6.412 5.841 1.00 0.00 O ATOM 967 CB TYR A 67 0.770 6.061 4.577 1.00 0.00 C ATOM 968 CG TYR A 67 1.052 6.749 3.241 1.00 0.00 C ATOM 969 CD1 TYR A 67 0.782 6.095 2.056 1.00 0.00 C ATOM 970 CD2 TYR A 67 1.578 8.026 3.219 1.00 0.00 C ATOM 971 CE1 TYR A 67 1.048 6.743 0.798 1.00 0.00 C ATOM 972 CE2 TYR A 67 1.844 8.673 1.961 1.00 0.00 C ATOM 973 CZ TYR A 67 1.566 8.000 0.813 1.00 0.00 C ATOM 974 OH TYR A 67 1.817 8.611 -0.376 1.00 0.00 O ATOM 0 H TYR A 67 0.300 4.010 5.659 1.00 0.00 H new ATOM 0 HA TYR A 67 2.610 4.902 4.297 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.114 5.433 4.471 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.534 6.820 5.322 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.371 5.096 2.072 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.790 8.539 4.146 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.841 6.242 -0.136 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.255 9.671 1.930 1.00 0.00 H new ATOM 0 HH TYR A 67 2.662 9.104 -0.318 1.00 0.00 H new ATOM 983 N LYS A 68 2.116 6.230 7.266 1.00 0.00 N ATOM 984 CA LYS A 68 2.760 6.984 8.327 1.00 0.00 C ATOM 985 C LYS A 68 3.748 6.077 9.064 1.00 0.00 C ATOM 986 O LYS A 68 4.352 6.486 10.055 1.00 0.00 O ATOM 987 CB LYS A 68 1.713 7.624 9.242 1.00 0.00 C ATOM 988 CG LYS A 68 0.553 8.199 8.427 1.00 0.00 C ATOM 989 CD LYS A 68 0.985 9.454 7.668 1.00 0.00 C ATOM 990 CE LYS A 68 0.544 10.720 8.405 1.00 0.00 C ATOM 991 NZ LYS A 68 1.187 11.916 7.813 1.00 0.00 N ATOM 0 H LYS A 68 1.178 5.897 7.488 1.00 0.00 H new ATOM 0 HA LYS A 68 3.335 7.811 7.911 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.336 6.881 9.945 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.175 8.415 9.832 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.193 7.450 7.722 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.278 8.439 9.090 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.069 9.457 7.550 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.555 9.444 6.666 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.540 10.819 8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.806 10.644 9.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.610 12.757 8.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.135 12.039 8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.268 11.793 6.783 1.00 0.00 H new ATOM 1000 N GLN A 69 3.882 4.862 8.552 1.00 0.00 N ATOM 1001 CA GLN A 69 4.786 3.894 9.149 1.00 0.00 C ATOM 1002 C GLN A 69 6.103 3.847 8.372 1.00 0.00 C ATOM 1003 O GLN A 69 7.180 3.918 8.963 1.00 0.00 O ATOM 1004 CB GLN A 69 4.140 2.510 9.216 1.00 0.00 C ATOM 1005 CG GLN A 69 4.071 2.006 10.659 1.00 0.00 C ATOM 1006 CD GLN A 69 2.789 2.483 11.346 1.00 0.00 C ATOM 1007 OE1 GLN A 69 2.503 3.666 11.426 1.00 0.00 O ATOM 1008 NE2 GLN A 69 2.039 1.500 11.836 1.00 0.00 N ATOM 0 H GLN A 69 3.379 4.526 7.730 1.00 0.00 H new ATOM 0 HA GLN A 69 5.001 4.209 10.170 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.136 2.553 8.794 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.712 1.808 8.609 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.110 0.917 10.670 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.939 2.361 11.214 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.339 0.530 11.734 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.164 1.716 12.314 1.00 0.00 H new ATOM 1090 N GLY A 75 11.252 6.432 5.228 1.00 0.00 N ATOM 1091 CA GLY A 75 11.085 5.938 3.872 1.00 0.00 C ATOM 1092 C GLY A 75 9.903 6.622 3.182 1.00 0.00 C ATOM 1093 O GLY A 75 9.689 7.821 3.350 1.00 0.00 O ATOM 0 HA2 GLY A 75 11.997 6.116 3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.926 4.860 3.891 1.00 0.00 H new ATOM 1097 N GLU A 76 9.166 5.828 2.418 1.00 0.00 N ATOM 1098 CA GLU A 76 8.010 6.342 1.702 1.00 0.00 C ATOM 1099 C GLU A 76 6.994 5.223 1.463 1.00 0.00 C ATOM 1100 O GLU A 76 7.356 4.049 1.421 1.00 0.00 O ATOM 1101 CB GLU A 76 8.428 6.994 0.382 1.00 0.00 C ATOM 1102 CG GLU A 76 9.935 7.259 0.355 1.00 0.00 C ATOM 1103 CD GLU A 76 10.263 8.611 0.991 1.00 0.00 C ATOM 1104 OE1 GLU A 76 9.352 9.335 1.418 1.00 0.00 O ATOM 1105 OE2 GLU A 76 11.520 8.903 1.035 1.00 0.00 O ATOM 0 H GLU A 76 9.347 4.834 2.279 1.00 0.00 H new ATOM 0 HA GLU A 76 7.539 7.110 2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.154 6.346 -0.451 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.888 7.931 0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.457 6.465 0.889 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.293 7.240 -0.674 1.00 0.00 H new ATOM 1111 N MET A 77 5.741 5.627 1.314 1.00 0.00 N ATOM 1112 CA MET A 77 4.669 4.674 1.080 1.00 0.00 C ATOM 1113 C MET A 77 4.076 4.848 -0.319 1.00 0.00 C ATOM 1114 O MET A 77 3.702 5.954 -0.706 1.00 0.00 O ATOM 1115 CB MET A 77 3.573 4.873 2.129 1.00 0.00 C ATOM 1116 CG MET A 77 2.756 3.593 2.317 1.00 0.00 C ATOM 1117 SD MET A 77 3.581 2.506 3.467 1.00 0.00 S ATOM 1118 CE MET A 77 3.111 0.922 2.789 1.00 0.00 C ATOM 0 H MET A 77 5.444 6.602 1.351 1.00 0.00 H new ATOM 0 HA MET A 77 5.079 3.667 1.156 1.00 0.00 H new ATOM 0 HB2 MET A 77 4.022 5.165 3.078 1.00 0.00 H new ATOM 0 HB3 MET A 77 2.916 5.687 1.823 1.00 0.00 H new ATOM 0 HG2 MET A 77 1.760 3.838 2.686 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.626 3.091 1.358 1.00 0.00 H new ATOM 0 HE1 MET A 77 3.708 0.136 3.252 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.055 0.740 2.988 1.00 0.00 H new ATOM 0 HE3 MET A 77 3.283 0.921 1.713 1.00 0.00 H new ATOM 1126 N VAL A 78 4.007 3.738 -1.039 1.00 0.00 N ATOM 1127 CA VAL A 78 3.467 3.754 -2.388 1.00 0.00 C ATOM 1128 C VAL A 78 2.364 2.698 -2.502 1.00 0.00 C ATOM 1129 O VAL A 78 2.410 1.672 -1.824 1.00 0.00 O ATOM 1130 CB VAL A 78 4.592 3.556 -3.406 1.00 0.00 C ATOM 1131 CG1 VAL A 78 4.026 3.325 -4.809 1.00 0.00 C ATOM 1132 CG2 VAL A 78 5.557 4.743 -3.392 1.00 0.00 C ATOM 0 H VAL A 78 4.316 2.822 -0.714 1.00 0.00 H new ATOM 0 HA VAL A 78 3.016 4.722 -2.608 1.00 0.00 H new ATOM 0 HB VAL A 78 5.152 2.666 -3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.846 3.187 -5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.397 2.435 -4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.432 4.188 -5.108 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.347 4.578 -4.124 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.015 5.655 -3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.997 4.843 -2.400 1.00 0.00 H new ATOM 1142 N VAL A 79 1.401 2.986 -3.365 1.00 0.00 N ATOM 1143 CA VAL A 79 0.290 2.074 -3.576 1.00 0.00 C ATOM 1144 C VAL A 79 -0.303 2.314 -4.966 1.00 0.00 C ATOM 1145 O VAL A 79 -0.508 3.458 -5.369 1.00 0.00 O ATOM 1146 CB VAL A 79 -0.737 2.230 -2.453 1.00 0.00 C ATOM 1147 CG1 VAL A 79 -1.311 3.648 -2.429 1.00 0.00 C ATOM 1148 CG2 VAL A 79 -1.852 1.190 -2.580 1.00 0.00 C ATOM 0 H VAL A 79 1.367 3.837 -3.926 1.00 0.00 H new ATOM 0 HA VAL A 79 0.633 1.040 -3.542 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.226 2.058 -1.506 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.038 3.732 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.505 4.364 -2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.799 3.859 -3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.568 1.324 -1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.359 1.315 -3.537 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.424 0.189 -2.525 1.00 0.00 H new ATOM 1158 N CYS A 80 -0.563 1.216 -5.662 1.00 0.00 N ATOM 1159 CA CYS A 80 -1.128 1.293 -6.998 1.00 0.00 C ATOM 1160 C CYS A 80 -2.196 0.205 -7.130 1.00 0.00 C ATOM 1161 O CYS A 80 -2.607 -0.391 -6.137 1.00 0.00 O ATOM 1162 CB CYS A 80 -0.050 1.170 -8.076 1.00 0.00 C ATOM 1163 SG CYS A 80 0.410 -0.587 -8.303 1.00 0.00 S ATOM 0 H CYS A 80 -0.393 0.268 -5.325 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.586 2.271 -7.147 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.415 1.583 -9.016 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.828 1.751 -7.792 1.00 0.00 H new ATOM 0 HG CYS A 80 -0.478 -1.175 -9.048 1.00 0.00 H new ATOM 1168 N ALA A 81 -2.615 -0.020 -8.367 1.00 0.00 N ATOM 1169 CA ALA A 81 -3.626 -1.026 -8.644 1.00 0.00 C ATOM 1170 C ALA A 81 -5.004 -0.473 -8.269 1.00 0.00 C ATOM 1171 O ALA A 81 -5.908 -1.232 -7.928 1.00 0.00 O ATOM 1172 CB ALA A 81 -3.289 -2.311 -7.886 1.00 0.00 C ATOM 0 H ALA A 81 -2.272 0.478 -9.189 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.645 -1.269 -9.706 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.048 -3.066 -8.094 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.314 -2.678 -8.207 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.265 -2.106 -6.816 1.00 0.00 H new ATOM 1178 N ILE A 82 -5.118 0.845 -8.348 1.00 0.00 N ATOM 1179 CA ILE A 82 -6.370 1.507 -8.023 1.00 0.00 C ATOM 1180 C ILE A 82 -7.428 1.126 -9.059 1.00 0.00 C ATOM 1181 O ILE A 82 -7.384 0.036 -9.626 1.00 0.00 O ATOM 1182 CB ILE A 82 -6.157 3.017 -7.887 1.00 0.00 C ATOM 1183 CG1 ILE A 82 -7.120 3.615 -6.859 1.00 0.00 C ATOM 1184 CG2 ILE A 82 -6.265 3.710 -9.246 1.00 0.00 C ATOM 1185 CD1 ILE A 82 -6.665 3.299 -5.433 1.00 0.00 C ATOM 0 H ILE A 82 -4.365 1.471 -8.632 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.738 1.171 -7.054 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.146 3.189 -7.519 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.178 4.695 -6.995 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -8.122 3.219 -7.021 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.110 4.782 -9.121 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.508 3.310 -9.920 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.255 3.533 -9.667 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.367 3.735 -4.722 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.631 2.219 -5.293 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.672 3.718 -5.267 1.00 0.00 H new ATOM 1196 N SER A 83 -8.357 2.047 -9.275 1.00 0.00 N ATOM 1197 CA SER A 83 -9.425 1.820 -10.233 1.00 0.00 C ATOM 1198 C SER A 83 -10.388 3.009 -10.234 1.00 0.00 C ATOM 1199 O SER A 83 -10.292 3.891 -9.381 1.00 0.00 O ATOM 1200 CB SER A 83 -10.181 0.527 -9.922 1.00 0.00 C ATOM 1201 OG SER A 83 -10.158 -0.383 -11.018 1.00 0.00 O ATOM 0 H SER A 83 -8.392 2.951 -8.803 1.00 0.00 H new ATOM 0 HA SER A 83 -8.979 1.719 -11.223 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.740 0.051 -9.046 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.215 0.764 -9.669 1.00 0.00 H new ATOM 0 HG SER A 83 -10.650 -1.196 -10.778 1.00 0.00 H new ATOM 1206 N PRO A 84 -11.318 2.996 -11.227 1.00 0.00 N ATOM 1207 CA PRO A 84 -12.297 4.063 -11.349 1.00 0.00 C ATOM 1208 C PRO A 84 -13.385 3.935 -10.281 1.00 0.00 C ATOM 1209 O PRO A 84 -14.265 4.788 -10.181 1.00 0.00 O ATOM 1210 CB PRO A 84 -12.837 3.940 -12.765 1.00 0.00 C ATOM 1211 CG PRO A 84 -12.485 2.534 -13.224 1.00 0.00 C ATOM 1212 CD PRO A 84 -11.461 1.969 -12.254 1.00 0.00 C ATOM 0 HA PRO A 84 -11.866 5.050 -11.185 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.915 4.100 -12.787 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.390 4.688 -13.420 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -13.376 1.906 -13.247 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -12.082 2.553 -14.236 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -11.799 1.025 -11.826 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -10.511 1.771 -12.751 1.00 0.00 H new ATOM 1217 N ALA A 85 -13.288 2.861 -9.510 1.00 0.00 N ATOM 1218 CA ALA A 85 -14.253 2.610 -8.453 1.00 0.00 C ATOM 1219 C ALA A 85 -13.510 2.268 -7.161 1.00 0.00 C ATOM 1220 O ALA A 85 -14.055 1.596 -6.286 1.00 0.00 O ATOM 1221 CB ALA A 85 -15.209 1.498 -8.888 1.00 0.00 C ATOM 0 H ALA A 85 -12.556 2.155 -9.596 1.00 0.00 H new ATOM 0 HA ALA A 85 -14.853 3.500 -8.262 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -15.933 1.310 -8.095 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -15.734 1.803 -9.793 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.643 0.588 -9.086 1.00 0.00 H new ATOM 1227 N VAL A 86 -12.277 2.746 -7.081 1.00 0.00 N ATOM 1228 CA VAL A 86 -11.453 2.498 -5.910 1.00 0.00 C ATOM 1229 C VAL A 86 -10.740 3.792 -5.510 1.00 0.00 C ATOM 1230 O VAL A 86 -10.576 4.074 -4.325 1.00 0.00 O ATOM 1231 CB VAL A 86 -10.487 1.344 -6.184 1.00 0.00 C ATOM 1232 CG1 VAL A 86 -9.318 1.360 -5.195 1.00 0.00 C ATOM 1233 CG2 VAL A 86 -11.215 -0.001 -6.150 1.00 0.00 C ATOM 0 H VAL A 86 -11.829 3.304 -7.808 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.072 2.193 -5.066 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.080 1.479 -7.186 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.646 0.529 -5.412 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.775 2.300 -5.289 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.700 1.262 -4.179 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -10.505 -0.804 -6.348 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -11.664 -0.147 -5.167 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -11.996 -0.011 -6.910 1.00 0.00 H new ATOM 1243 N LYS A 87 -10.338 4.545 -6.523 1.00 0.00 N ATOM 1244 CA LYS A 87 -9.647 5.802 -6.292 1.00 0.00 C ATOM 1245 C LYS A 87 -10.649 6.846 -5.795 1.00 0.00 C ATOM 1246 O LYS A 87 -10.261 7.940 -5.390 1.00 0.00 O ATOM 1247 CB LYS A 87 -8.883 6.232 -7.547 1.00 0.00 C ATOM 1248 CG LYS A 87 -9.709 7.212 -8.383 1.00 0.00 C ATOM 1249 CD LYS A 87 -9.381 7.075 -9.871 1.00 0.00 C ATOM 1250 CE LYS A 87 -8.382 8.146 -10.313 1.00 0.00 C ATOM 1251 NZ LYS A 87 -8.122 8.043 -11.767 1.00 0.00 N ATOM 0 H LYS A 87 -10.477 4.309 -7.505 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.894 5.685 -5.512 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.940 6.697 -7.261 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.637 5.355 -8.146 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.771 7.027 -8.223 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.510 8.232 -8.056 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.969 6.085 -10.067 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.295 7.161 -10.458 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.772 9.136 -10.076 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.449 8.031 -9.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.442 8.777 -12.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.729 7.105 -11.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.012 8.175 -12.289 1.00 0.00 H new ATOM 1260 N ARG A 88 -11.918 6.470 -5.842 1.00 0.00 N ATOM 1261 CA ARG A 88 -12.979 7.359 -5.401 1.00 0.00 C ATOM 1262 C ARG A 88 -12.997 7.446 -3.874 1.00 0.00 C ATOM 1263 O ARG A 88 -13.471 8.432 -3.310 1.00 0.00 O ATOM 1264 CB ARG A 88 -14.344 6.875 -5.894 1.00 0.00 C ATOM 1265 CG ARG A 88 -14.921 5.814 -4.955 1.00 0.00 C ATOM 1266 CD ARG A 88 -14.200 4.476 -5.131 1.00 0.00 C ATOM 1267 NE ARG A 88 -15.154 3.358 -4.952 1.00 0.00 N ATOM 1268 CZ ARG A 88 -16.237 3.157 -5.733 1.00 0.00 C ATOM 1269 NH1 ARG A 88 -16.512 3.996 -6.753 1.00 0.00 N ATOM 1270 NH2 ARG A 88 -17.023 2.125 -5.482 1.00 0.00 N ATOM 0 H ARG A 88 -12.236 5.561 -6.179 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.783 8.345 -5.822 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.031 7.719 -5.961 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.247 6.463 -6.898 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.828 6.148 -3.922 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -15.985 5.687 -5.154 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.749 4.424 -6.122 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.390 4.393 -4.407 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.983 2.699 -4.192 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.900 4.790 -6.939 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.332 3.836 -7.338 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -16.807 1.496 -4.709 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.846 1.958 -6.061 1.00 0.00 H new ATOM 1280 N LEU A 89 -12.476 6.402 -3.247 1.00 0.00 N ATOM 1281 CA LEU A 89 -12.427 6.349 -1.795 1.00 0.00 C ATOM 1282 C LEU A 89 -11.484 7.438 -1.280 1.00 0.00 C ATOM 1283 O LEU A 89 -11.804 8.140 -0.322 1.00 0.00 O ATOM 1284 CB LEU A 89 -12.057 4.941 -1.323 1.00 0.00 C ATOM 1285 CG LEU A 89 -13.229 4.006 -1.020 1.00 0.00 C ATOM 1286 CD1 LEU A 89 -12.741 2.577 -0.774 1.00 0.00 C ATOM 1287 CD2 LEU A 89 -14.065 4.535 0.147 1.00 0.00 C ATOM 0 H LEU A 89 -12.084 5.586 -3.717 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.411 6.554 -1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.434 4.475 -2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.447 5.029 -0.424 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.879 3.978 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.594 1.933 -0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.223 2.212 -1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.058 2.567 0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.892 3.852 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.440 4.612 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.460 5.519 -0.105 1.00 0.00 H new ATOM 1298 N PHE A 90 -10.340 7.545 -1.940 1.00 0.00 N ATOM 1299 CA PHE A 90 -9.348 8.538 -1.562 1.00 0.00 C ATOM 1300 C PHE A 90 -9.631 9.882 -2.236 1.00 0.00 C ATOM 1301 O PHE A 90 -9.151 10.920 -1.785 1.00 0.00 O ATOM 1302 CB PHE A 90 -7.990 8.017 -2.039 1.00 0.00 C ATOM 1303 CG PHE A 90 -7.731 6.550 -1.692 1.00 0.00 C ATOM 1304 CD1 PHE A 90 -8.169 5.567 -2.523 1.00 0.00 C ATOM 1305 CD2 PHE A 90 -7.060 6.229 -0.553 1.00 0.00 C ATOM 1306 CE1 PHE A 90 -7.927 4.205 -2.201 1.00 0.00 C ATOM 1307 CE2 PHE A 90 -6.818 4.867 -0.232 1.00 0.00 C ATOM 1308 CZ PHE A 90 -7.257 3.884 -1.063 1.00 0.00 C ATOM 0 H PHE A 90 -10.078 6.961 -2.734 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.369 8.693 -0.483 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -7.924 8.141 -3.120 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.202 8.629 -1.599 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.701 5.822 -3.428 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.711 7.010 0.107 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.276 3.424 -2.861 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.285 4.612 0.672 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.073 2.848 -0.819 1.00 0.00 H new ATOM 1317 N ASP A 91 -10.409 9.818 -3.306 1.00 0.00 N ATOM 1318 CA ASP A 91 -10.763 11.016 -4.047 1.00 0.00 C ATOM 1319 C ASP A 91 -11.770 11.835 -3.236 1.00 0.00 C ATOM 1320 O ASP A 91 -11.757 13.064 -3.284 1.00 0.00 O ATOM 1321 CB ASP A 91 -11.410 10.665 -5.388 1.00 0.00 C ATOM 1322 CG ASP A 91 -10.698 11.230 -6.619 1.00 0.00 C ATOM 1323 OD1 ASP A 91 -10.046 10.493 -7.374 1.00 0.00 O ATOM 1324 OD2 ASP A 91 -10.834 12.501 -6.792 1.00 0.00 O ATOM 0 H ASP A 91 -10.804 8.954 -3.678 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.849 11.583 -4.225 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.455 9.580 -5.479 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.438 11.027 -5.384 1.00 0.00 H new ATOM 1329 N MET A 92 -12.617 11.120 -2.511 1.00 0.00 N ATOM 1330 CA MET A 92 -13.629 11.764 -1.691 1.00 0.00 C ATOM 1331 C MET A 92 -13.073 12.114 -0.309 1.00 0.00 C ATOM 1332 O MET A 92 -13.470 13.113 0.289 1.00 0.00 O ATOM 1333 CB MET A 92 -14.831 10.831 -1.536 1.00 0.00 C ATOM 1334 CG MET A 92 -15.972 11.526 -0.789 1.00 0.00 C ATOM 1335 SD MET A 92 -16.748 10.381 0.340 1.00 0.00 S ATOM 1336 CE MET A 92 -17.604 11.530 1.406 1.00 0.00 C ATOM 0 H MET A 92 -12.623 10.101 -2.474 1.00 0.00 H new ATOM 0 HA MET A 92 -13.936 12.687 -2.184 1.00 0.00 H new ATOM 0 HB2 MET A 92 -15.177 10.511 -2.519 1.00 0.00 H new ATOM 0 HB3 MET A 92 -14.532 9.933 -0.996 1.00 0.00 H new ATOM 0 HG2 MET A 92 -15.588 12.386 -0.241 1.00 0.00 H new ATOM 0 HG3 MET A 92 -16.707 11.903 -1.500 1.00 0.00 H new ATOM 0 HE1 MET A 92 -18.145 10.979 2.175 1.00 0.00 H new ATOM 0 HE2 MET A 92 -16.882 12.196 1.878 1.00 0.00 H new ATOM 0 HE3 MET A 92 -18.308 12.117 0.817 1.00 0.00 H new ATOM 1344 N SER A 93 -12.162 11.272 0.158 1.00 0.00 N ATOM 1345 CA SER A 93 -11.548 11.480 1.458 1.00 0.00 C ATOM 1346 C SER A 93 -10.695 12.750 1.437 1.00 0.00 C ATOM 1347 O SER A 93 -10.531 13.409 2.462 1.00 0.00 O ATOM 1348 CB SER A 93 -10.696 10.275 1.863 1.00 0.00 C ATOM 1349 OG SER A 93 -9.840 10.573 2.962 1.00 0.00 O ATOM 0 H SER A 93 -11.835 10.445 -0.341 1.00 0.00 H new ATOM 0 HA SER A 93 -12.341 11.595 2.197 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.348 9.442 2.126 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.095 9.953 1.012 1.00 0.00 H new ATOM 0 HG SER A 93 -9.314 9.779 3.192 1.00 0.00 H new ATOM 1354 N GLY A 94 -10.174 13.056 0.258 1.00 0.00 N ATOM 1355 CA GLY A 94 -9.342 14.235 0.090 1.00 0.00 C ATOM 1356 C GLY A 94 -8.002 14.067 0.807 1.00 0.00 C ATOM 1357 O GLY A 94 -7.324 15.051 1.101 1.00 0.00 O ATOM 0 H GLY A 94 -10.312 12.507 -0.591 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.171 14.415 -0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.861 15.110 0.482 1.00 0.00 H new ATOM 1361 N LEU A 95 -7.660 12.814 1.070 1.00 0.00 N ATOM 1362 CA LEU A 95 -6.412 12.505 1.749 1.00 0.00 C ATOM 1363 C LEU A 95 -5.557 11.609 0.851 1.00 0.00 C ATOM 1364 O LEU A 95 -4.541 11.073 1.290 1.00 0.00 O ATOM 1365 CB LEU A 95 -6.688 11.909 3.130 1.00 0.00 C ATOM 1366 CG LEU A 95 -5.611 12.149 4.190 1.00 0.00 C ATOM 1367 CD1 LEU A 95 -5.005 13.547 4.050 1.00 0.00 C ATOM 1368 CD2 LEU A 95 -6.160 11.900 5.596 1.00 0.00 C ATOM 0 H LEU A 95 -8.225 12.001 0.825 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.840 13.415 1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.630 12.316 3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.827 10.834 3.019 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.806 11.432 4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.243 13.691 4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.553 13.651 3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.787 14.296 4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.374 12.078 6.330 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.994 12.576 5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.504 10.869 5.675 1.00 0.00 H new ATOM 1379 N PHE A 96 -6.001 11.473 -0.391 1.00 0.00 N ATOM 1380 CA PHE A 96 -5.289 10.650 -1.354 1.00 0.00 C ATOM 1381 C PHE A 96 -3.799 10.994 -1.373 1.00 0.00 C ATOM 1382 O PHE A 96 -2.958 10.116 -1.563 1.00 0.00 O ATOM 1383 CB PHE A 96 -5.888 10.953 -2.729 1.00 0.00 C ATOM 1384 CG PHE A 96 -6.224 9.705 -3.549 1.00 0.00 C ATOM 1385 CD1 PHE A 96 -5.606 8.525 -3.276 1.00 0.00 C ATOM 1386 CD2 PHE A 96 -7.142 9.777 -4.551 1.00 0.00 C ATOM 1387 CE1 PHE A 96 -5.918 7.368 -4.037 1.00 0.00 C ATOM 1388 CE2 PHE A 96 -7.454 8.620 -5.311 1.00 0.00 C ATOM 1389 CZ PHE A 96 -6.836 7.439 -5.039 1.00 0.00 C ATOM 0 H PHE A 96 -6.844 11.919 -0.752 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.388 9.597 -1.090 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.794 11.544 -2.597 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.186 11.568 -3.293 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -4.878 8.468 -2.480 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.633 10.714 -4.768 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.427 6.431 -3.821 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.183 8.677 -6.106 1.00 0.00 H new ATOM 0 HZ PHE A 96 -7.074 6.559 -5.618 1.00 0.00 H new ATOM 1398 N LYS A 97 -3.517 12.273 -1.174 1.00 0.00 N ATOM 1399 CA LYS A 97 -2.141 12.744 -1.166 1.00 0.00 C ATOM 1400 C LYS A 97 -1.381 12.061 -0.028 1.00 0.00 C ATOM 1401 O LYS A 97 -0.154 11.972 -0.063 1.00 0.00 O ATOM 1402 CB LYS A 97 -2.099 14.272 -1.105 1.00 0.00 C ATOM 1403 CG LYS A 97 -3.062 14.889 -2.122 1.00 0.00 C ATOM 1404 CD LYS A 97 -2.297 15.551 -3.269 1.00 0.00 C ATOM 1405 CE LYS A 97 -2.368 14.701 -4.539 1.00 0.00 C ATOM 1406 NZ LYS A 97 -2.858 15.510 -5.677 1.00 0.00 N ATOM 0 H LYS A 97 -4.217 12.998 -1.017 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.638 12.472 -2.094 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.361 14.607 -0.101 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.085 14.619 -1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.722 14.117 -2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.694 15.627 -1.628 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.713 16.539 -3.465 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.256 15.694 -2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.382 14.298 -4.770 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.030 13.850 -4.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.900 14.918 -6.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.808 15.874 -5.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.211 16.307 -5.840 1.00 0.00 H new ATOM 1415 N ILE A 98 -2.139 11.599 0.955 1.00 0.00 N ATOM 1416 CA ILE A 98 -1.551 10.927 2.101 1.00 0.00 C ATOM 1417 C ILE A 98 -1.327 9.451 1.763 1.00 0.00 C ATOM 1418 O ILE A 98 -0.677 8.730 2.518 1.00 0.00 O ATOM 1419 CB ILE A 98 -2.406 11.150 3.349 1.00 0.00 C ATOM 1420 CG1 ILE A 98 -1.569 11.730 4.492 1.00 0.00 C ATOM 1421 CG2 ILE A 98 -3.122 9.862 3.761 1.00 0.00 C ATOM 1422 CD1 ILE A 98 -1.353 10.692 5.595 1.00 0.00 C ATOM 0 H ILE A 98 -3.156 11.677 0.982 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.574 11.352 2.332 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.175 11.884 3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -0.605 12.064 4.108 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.069 12.606 4.905 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -3.723 10.049 4.651 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.769 9.530 2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.385 9.089 3.977 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.756 11.130 6.395 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.318 10.378 5.993 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -0.831 9.828 5.184 1.00 0.00 H new ATOM 1433 N ILE A 99 -1.881 9.047 0.629 1.00 0.00 N ATOM 1434 CA ILE A 99 -1.750 7.671 0.182 1.00 0.00 C ATOM 1435 C ILE A 99 -1.005 7.640 -1.153 1.00 0.00 C ATOM 1436 O ILE A 99 -0.569 6.581 -1.602 1.00 0.00 O ATOM 1437 CB ILE A 99 -3.120 6.990 0.138 1.00 0.00 C ATOM 1438 CG1 ILE A 99 -3.732 6.897 1.537 1.00 0.00 C ATOM 1439 CG2 ILE A 99 -3.031 5.622 -0.541 1.00 0.00 C ATOM 1440 CD1 ILE A 99 -2.805 6.140 2.491 1.00 0.00 C ATOM 0 H ILE A 99 -2.421 9.648 0.007 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.155 7.095 0.891 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.788 7.606 -0.465 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.918 7.899 1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.696 6.391 1.483 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.018 5.160 -0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.669 5.745 -1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.342 4.985 0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.263 6.088 3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.640 5.131 2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.850 6.662 2.561 1.00 0.00 H new ATOM 1451 N ARG A 100 -0.881 8.816 -1.752 1.00 0.00 N ATOM 1452 CA ARG A 100 -0.196 8.938 -3.028 1.00 0.00 C ATOM 1453 C ARG A 100 -0.361 7.654 -3.843 1.00 0.00 C ATOM 1454 O ARG A 100 0.479 6.759 -3.774 1.00 0.00 O ATOM 1455 CB ARG A 100 1.294 9.220 -2.828 1.00 0.00 C ATOM 1456 CG ARG A 100 1.925 9.770 -4.108 1.00 0.00 C ATOM 1457 CD ARG A 100 2.396 8.636 -5.020 1.00 0.00 C ATOM 1458 NE ARG A 100 3.112 9.190 -6.190 1.00 0.00 N ATOM 1459 CZ ARG A 100 4.353 9.720 -6.138 1.00 0.00 C ATOM 1460 NH1 ARG A 100 5.027 9.770 -4.969 1.00 0.00 N ATOM 1461 NH2 ARG A 100 4.897 10.187 -7.245 1.00 0.00 N ATOM 0 H ARG A 100 -1.243 9.693 -1.377 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.643 9.774 -3.566 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.426 9.936 -2.017 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.804 8.304 -2.531 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.201 10.390 -4.637 1.00 0.00 H new ATOM 0 HG3 ARG A 100 2.769 10.412 -3.855 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.052 7.963 -4.468 1.00 0.00 H new ATOM 0 HD3 ARG A 100 1.541 8.047 -5.352 1.00 0.00 H new ATOM 0 HE ARG A 100 2.638 9.170 -7.093 1.00 0.00 H new ATOM 0 HH11 ARG A 100 4.599 9.406 -4.118 1.00 0.00 H new ATOM 0 HH12 ARG A 100 5.964 10.172 -4.937 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.381 10.145 -8.124 1.00 0.00 H new ATOM 0 HH22 ARG A 100 5.834 10.590 -7.222 1.00 0.00 H new ATOM 1471 N PHE A 101 -1.449 7.605 -4.597 1.00 0.00 N ATOM 1472 CA PHE A 101 -1.735 6.446 -5.426 1.00 0.00 C ATOM 1473 C PHE A 101 -1.418 6.730 -6.895 1.00 0.00 C ATOM 1474 O PHE A 101 -1.104 7.863 -7.259 1.00 0.00 O ATOM 1475 CB PHE A 101 -3.230 6.153 -5.285 1.00 0.00 C ATOM 1476 CG PHE A 101 -3.552 4.687 -4.993 1.00 0.00 C ATOM 1477 CD1 PHE A 101 -3.606 3.786 -6.012 1.00 0.00 C ATOM 1478 CD2 PHE A 101 -3.784 4.282 -3.716 1.00 0.00 C ATOM 1479 CE1 PHE A 101 -3.906 2.425 -5.740 1.00 0.00 C ATOM 1480 CE2 PHE A 101 -4.083 2.921 -3.444 1.00 0.00 C ATOM 1481 CZ PHE A 101 -4.138 2.021 -4.463 1.00 0.00 C ATOM 0 H PHE A 101 -2.144 8.350 -4.651 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.124 5.601 -5.108 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.637 6.770 -4.484 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.736 6.449 -6.204 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.421 4.106 -7.027 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.741 4.997 -2.907 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.950 1.710 -6.548 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -4.267 2.600 -2.429 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.366 0.986 -4.257 1.00 0.00 H new ATOM 1490 N GLU A 102 -1.512 5.683 -7.701 1.00 0.00 N ATOM 1491 CA GLU A 102 -1.239 5.805 -9.123 1.00 0.00 C ATOM 1492 C GLU A 102 -2.144 4.864 -9.920 1.00 0.00 C ATOM 1493 O GLU A 102 -3.261 4.566 -9.499 1.00 0.00 O ATOM 1494 CB GLU A 102 0.236 5.534 -9.424 1.00 0.00 C ATOM 1495 CG GLU A 102 0.840 6.663 -10.262 1.00 0.00 C ATOM 1496 CD GLU A 102 0.892 6.280 -11.742 1.00 0.00 C ATOM 1497 OE1 GLU A 102 -0.155 6.006 -12.348 1.00 0.00 O ATOM 1498 OE2 GLU A 102 2.072 6.275 -12.264 1.00 0.00 O ATOM 0 H GLU A 102 -1.774 4.745 -7.396 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.455 6.829 -9.428 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.789 5.433 -8.490 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.335 4.588 -9.956 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.248 7.570 -10.138 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.845 6.888 -9.905 1.00 0.00 H new ATOM 1504 N GLN A 103 -1.627 4.419 -11.056 1.00 0.00 N ATOM 1505 CA GLN A 103 -2.374 3.516 -11.916 1.00 0.00 C ATOM 1506 C GLN A 103 -1.416 2.638 -12.723 1.00 0.00 C ATOM 1507 O GLN A 103 -0.978 3.023 -13.806 1.00 0.00 O ATOM 1508 CB GLN A 103 -3.316 4.292 -12.838 1.00 0.00 C ATOM 1509 CG GLN A 103 -4.347 5.084 -12.030 1.00 0.00 C ATOM 1510 CD GLN A 103 -5.274 5.877 -12.952 1.00 0.00 C ATOM 1511 OE1 GLN A 103 -4.958 6.963 -13.408 1.00 0.00 O ATOM 1512 NE2 GLN A 103 -6.435 5.275 -13.200 1.00 0.00 N ATOM 0 H GLN A 103 -0.700 4.667 -11.401 1.00 0.00 H new ATOM 0 HA GLN A 103 -2.986 2.869 -11.287 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.739 4.973 -13.464 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.827 3.600 -13.507 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.935 4.402 -11.416 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -3.836 5.765 -11.349 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -6.636 4.365 -12.786 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -7.123 5.724 -13.804 1.00 0.00 H new ATOM 1519 N SER A 104 -1.118 1.474 -12.165 1.00 0.00 N ATOM 1520 CA SER A 104 -0.220 0.538 -12.819 1.00 0.00 C ATOM 1521 C SER A 104 1.057 1.258 -13.258 1.00 0.00 C ATOM 1522 O SER A 104 2.146 0.943 -12.781 1.00 0.00 O ATOM 1523 CB SER A 104 -0.896 -0.124 -14.022 1.00 0.00 C ATOM 1524 OG SER A 104 0.029 -0.866 -14.813 1.00 0.00 O ATOM 0 H SER A 104 -1.483 1.158 -11.267 1.00 0.00 H new ATOM 0 HA SER A 104 0.038 -0.244 -12.105 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.688 -0.787 -13.673 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.368 0.641 -14.639 1.00 0.00 H new ATOM 0 HG SER A 104 -0.441 -1.274 -15.570 1.00 0.00 H new ATOM 1529 N GLU A 105 0.881 2.210 -14.161 1.00 0.00 N ATOM 1530 CA GLU A 105 2.005 2.977 -14.670 1.00 0.00 C ATOM 1531 C GLU A 105 3.042 3.194 -13.566 1.00 0.00 C ATOM 1532 O GLU A 105 4.239 3.266 -13.839 1.00 0.00 O ATOM 1533 CB GLU A 105 1.539 4.312 -15.254 1.00 0.00 C ATOM 1534 CG GLU A 105 2.726 5.129 -15.771 1.00 0.00 C ATOM 1535 CD GLU A 105 2.491 5.584 -17.213 1.00 0.00 C ATOM 1536 OE1 GLU A 105 2.107 6.742 -17.442 1.00 0.00 O ATOM 1537 OE2 GLU A 105 2.722 4.690 -18.112 1.00 0.00 O ATOM 0 H GLU A 105 -0.024 2.468 -14.554 1.00 0.00 H new ATOM 0 HA GLU A 105 2.472 2.410 -15.475 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.836 4.132 -16.067 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.006 4.880 -14.492 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.880 5.998 -15.132 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.635 4.530 -15.718 1.00 0.00 H new ATOM 1543 N GLN A 106 2.544 3.291 -12.342 1.00 0.00 N ATOM 1544 CA GLN A 106 3.413 3.497 -11.195 1.00 0.00 C ATOM 1545 C GLN A 106 4.321 2.283 -10.991 1.00 0.00 C ATOM 1546 O GLN A 106 5.252 2.327 -10.188 1.00 0.00 O ATOM 1547 CB GLN A 106 2.596 3.789 -9.934 1.00 0.00 C ATOM 1548 CG GLN A 106 3.385 3.426 -8.674 1.00 0.00 C ATOM 1549 CD GLN A 106 2.734 4.028 -7.428 1.00 0.00 C ATOM 1550 OE1 GLN A 106 1.722 3.557 -6.935 1.00 0.00 O ATOM 1551 NE2 GLN A 106 3.369 5.093 -6.946 1.00 0.00 N ATOM 0 H GLN A 106 1.550 3.231 -12.119 1.00 0.00 H new ATOM 0 HA GLN A 106 4.041 4.366 -11.391 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.326 4.845 -9.907 1.00 0.00 H new ATOM 0 HB3 GLN A 106 1.665 3.223 -9.960 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.438 2.342 -8.573 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.409 3.788 -8.765 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.212 5.436 -7.407 1.00 0.00 H new ATOM 0 HE22 GLN A 106 3.013 5.566 -6.115 1.00 0.00 H new ATOM 1558 N GLN A 107 4.019 1.227 -11.733 1.00 0.00 N ATOM 1559 CA GLN A 107 4.797 0.003 -11.644 1.00 0.00 C ATOM 1560 C GLN A 107 6.267 0.327 -11.367 1.00 0.00 C ATOM 1561 O GLN A 107 6.964 -0.448 -10.713 1.00 0.00 O ATOM 1562 CB GLN A 107 4.652 -0.833 -12.917 1.00 0.00 C ATOM 1563 CG GLN A 107 5.348 -2.187 -12.767 1.00 0.00 C ATOM 1564 CD GLN A 107 5.465 -2.896 -14.118 1.00 0.00 C ATOM 1565 OE1 GLN A 107 4.484 -3.196 -14.778 1.00 0.00 O ATOM 1566 NE2 GLN A 107 6.717 -3.146 -14.491 1.00 0.00 N ATOM 0 H GLN A 107 3.246 1.194 -12.398 1.00 0.00 H new ATOM 0 HA GLN A 107 4.412 -0.589 -10.814 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.596 -0.986 -13.137 1.00 0.00 H new ATOM 0 HB3 GLN A 107 5.079 -0.292 -13.762 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.341 -2.044 -12.340 1.00 0.00 H new ATOM 0 HG3 GLN A 107 4.789 -2.812 -12.071 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.493 -2.868 -13.891 1.00 0.00 H new ATOM 0 HE22 GLN A 107 6.901 -3.616 -15.377 1.00 0.00 H new ATOM 1573 N ALA A 108 6.694 1.473 -11.876 1.00 0.00 N ATOM 1574 CA ALA A 108 8.068 1.909 -11.691 1.00 0.00 C ATOM 1575 C ALA A 108 8.169 2.729 -10.403 1.00 0.00 C ATOM 1576 O ALA A 108 8.995 2.437 -9.540 1.00 0.00 O ATOM 1577 CB ALA A 108 8.524 2.696 -12.920 1.00 0.00 C ATOM 0 H ALA A 108 6.113 2.113 -12.417 1.00 0.00 H new ATOM 0 HA ALA A 108 8.732 1.051 -11.589 1.00 0.00 H new ATOM 0 HB1 ALA A 108 9.554 3.023 -12.781 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.461 2.060 -13.803 1.00 0.00 H new ATOM 0 HB3 ALA A 108 7.882 3.567 -13.053 1.00 0.00 H new ATOM 1583 N LEU A 109 7.315 3.739 -10.313 1.00 0.00 N ATOM 1584 CA LEU A 109 7.298 4.603 -9.145 1.00 0.00 C ATOM 1585 C LEU A 109 6.878 3.789 -7.920 1.00 0.00 C ATOM 1586 O LEU A 109 7.084 4.217 -6.786 1.00 0.00 O ATOM 1587 CB LEU A 109 6.420 5.829 -9.400 1.00 0.00 C ATOM 1588 CG LEU A 109 7.139 7.180 -9.401 1.00 0.00 C ATOM 1589 CD1 LEU A 109 6.514 8.133 -10.421 1.00 0.00 C ATOM 1590 CD2 LEU A 109 7.171 7.786 -7.996 1.00 0.00 C ATOM 0 H LEU A 109 6.630 3.978 -11.030 1.00 0.00 H new ATOM 0 HA LEU A 109 8.296 4.991 -8.943 1.00 0.00 H new ATOM 0 HB2 LEU A 109 5.925 5.703 -10.363 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.639 5.856 -8.641 1.00 0.00 H new ATOM 0 HG LEU A 109 8.173 7.016 -9.705 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.044 9.085 -10.401 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.587 7.698 -11.418 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.465 8.296 -10.172 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.688 8.745 -8.025 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.151 7.934 -7.640 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.697 7.111 -7.321 1.00 0.00 H new ATOM 1601 N LEU A 110 6.297 2.630 -8.190 1.00 0.00 N ATOM 1602 CA LEU A 110 5.847 1.751 -7.124 1.00 0.00 C ATOM 1603 C LEU A 110 7.028 1.416 -6.212 1.00 0.00 C ATOM 1604 O LEU A 110 6.871 1.327 -4.995 1.00 0.00 O ATOM 1605 CB LEU A 110 5.147 0.520 -7.703 1.00 0.00 C ATOM 1606 CG LEU A 110 4.050 -0.099 -6.836 1.00 0.00 C ATOM 1607 CD1 LEU A 110 2.744 0.689 -6.960 1.00 0.00 C ATOM 1608 CD2 LEU A 110 3.859 -1.581 -7.166 1.00 0.00 C ATOM 0 H LEU A 110 6.127 2.279 -9.132 1.00 0.00 H new ATOM 0 HA LEU A 110 5.100 2.252 -6.507 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.712 0.793 -8.664 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.901 -0.243 -7.900 1.00 0.00 H new ATOM 0 HG LEU A 110 4.365 -0.040 -5.794 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.980 0.228 -6.334 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.907 1.717 -6.636 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.413 0.684 -7.999 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.073 -1.996 -6.535 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.577 -1.687 -8.214 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.791 -2.117 -6.985 1.00 0.00 H new ATOM 1619 N THR A 111 8.184 1.238 -6.834 1.00 0.00 N ATOM 1620 CA THR A 111 9.391 0.915 -6.093 1.00 0.00 C ATOM 1621 C THR A 111 9.666 1.980 -5.030 1.00 0.00 C ATOM 1622 O THR A 111 10.588 1.840 -4.229 1.00 0.00 O ATOM 1623 CB THR A 111 10.532 0.750 -7.098 1.00 0.00 C ATOM 1624 OG1 THR A 111 10.779 -0.653 -7.118 1.00 0.00 O ATOM 1625 CG2 THR A 111 11.846 1.353 -6.596 1.00 0.00 C ATOM 0 H THR A 111 8.310 1.311 -7.843 1.00 0.00 H new ATOM 0 HA THR A 111 9.281 -0.022 -5.547 1.00 0.00 H new ATOM 0 HB THR A 111 10.254 1.219 -8.042 1.00 0.00 H new ATOM 0 HG1 THR A 111 11.505 -0.848 -7.747 1.00 0.00 H new ATOM 0 HG21 THR A 111 12.623 1.209 -7.347 1.00 0.00 H new ATOM 0 HG22 THR A 111 11.711 2.419 -6.414 1.00 0.00 H new ATOM 0 HG23 THR A 111 12.141 0.861 -5.669 1.00 0.00 H new ATOM 1633 N LEU A 112 8.848 3.023 -5.058 1.00 0.00 N ATOM 1634 CA LEU A 112 8.992 4.111 -4.106 1.00 0.00 C ATOM 1635 C LEU A 112 9.763 5.259 -4.764 1.00 0.00 C ATOM 1636 O LEU A 112 10.438 6.029 -4.081 1.00 0.00 O ATOM 1637 CB LEU A 112 9.626 3.609 -2.809 1.00 0.00 C ATOM 1638 CG LEU A 112 9.685 4.614 -1.656 1.00 0.00 C ATOM 1639 CD1 LEU A 112 9.141 4.000 -0.364 1.00 0.00 C ATOM 1640 CD2 LEU A 112 11.103 5.162 -1.479 1.00 0.00 C ATOM 0 H LEU A 112 8.084 3.137 -5.724 1.00 0.00 H new ATOM 0 HA LEU A 112 8.014 4.502 -3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 112 9.072 2.733 -2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 112 10.641 3.279 -3.029 1.00 0.00 H new ATOM 0 HG LEU A 112 9.042 5.458 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.195 4.735 0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.104 3.700 -0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.737 3.127 -0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.118 5.874 -0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.786 4.341 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.417 5.662 -2.395 1.00 0.00 H new ATOM 1651 N GLY A 113 9.636 5.337 -6.080 1.00 0.00 N ATOM 1652 CA GLY A 113 10.312 6.376 -6.836 1.00 0.00 C ATOM 1653 C GLY A 113 11.732 6.602 -6.311 1.00 0.00 C ATOM 1654 O GLY A 113 12.282 7.694 -6.447 1.00 0.00 O ATOM 0 H GLY A 113 9.075 4.697 -6.642 1.00 0.00 H new ATOM 0 HA2 GLY A 113 10.350 6.098 -7.889 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.745 7.305 -6.772 1.00 0.00 H new ATOM 1658 N VAL A 114 12.284 5.552 -5.721 1.00 0.00 N ATOM 1659 CA VAL A 114 13.628 5.622 -5.175 1.00 0.00 C ATOM 1660 C VAL A 114 14.356 4.305 -5.454 1.00 0.00 C ATOM 1661 O VAL A 114 14.728 3.588 -4.526 1.00 0.00 O ATOM 1662 CB VAL A 114 13.570 5.969 -3.686 1.00 0.00 C ATOM 1663 CG1 VAL A 114 14.911 5.685 -3.004 1.00 0.00 C ATOM 1664 CG2 VAL A 114 13.146 7.424 -3.478 1.00 0.00 C ATOM 0 H VAL A 114 11.825 4.648 -5.609 1.00 0.00 H new ATOM 0 HA VAL A 114 14.196 6.417 -5.659 1.00 0.00 H new ATOM 0 HB VAL A 114 12.817 5.332 -3.223 1.00 0.00 H new ATOM 0 HG11 VAL A 114 14.843 5.940 -1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 114 15.155 4.628 -3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 114 15.692 6.285 -3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 114 13.113 7.644 -2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 114 13.864 8.085 -3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 114 12.158 7.581 -3.912 1.00 0.00 H new ATOM 1674 N ALA A 115 14.539 4.028 -6.737 1.00 0.00 N ATOM 1675 CA ALA A 115 15.216 2.811 -7.150 1.00 0.00 C ATOM 1676 C ALA A 115 14.891 2.524 -8.618 1.00 0.00 C ATOM 1677 O ALA A 115 13.870 1.911 -8.922 1.00 0.00 O ATOM 1678 CB ALA A 115 14.808 1.661 -6.228 1.00 0.00 C ATOM 0 H ALA A 115 14.230 4.626 -7.504 1.00 0.00 H new ATOM 0 HA ALA A 115 16.297 2.927 -7.068 1.00 0.00 H new ATOM 0 HB1 ALA A 115 15.316 0.748 -6.538 1.00 0.00 H new ATOM 0 HB2 ALA A 115 15.087 1.901 -5.202 1.00 0.00 H new ATOM 0 HB3 ALA A 115 13.730 1.513 -6.286 1.00 0.00 H new