USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 887 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 49 LYS NZ :NH3+ -152:sc= -0.749! (180deg=-2.17!) USER MOD Set 1.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 9 HIS : no HD1:sc= -2.39 K(o=-6.6,f=-8.5!) USER MOD Set 2.2: A 13 ASN :FLIP amide:sc= -4.2! C(o=-7.2!,f=-6.6!) USER MOD Single : A 2 THR OG1 : rot -21:sc= -0.332 USER MOD Single : A 6 GLN : amide:sc= -2.44 K(o=-2.4,f=-6.3!) USER MOD Single : A 8 LYS NZ :NH3+ -129:sc= 0.697 (180deg=-1.16) USER MOD Single : A 10 TYR OH : rot 180:sc= -0.0362 USER MOD Single : A 12 THR OG1 : rot -7:sc= -0.987 USER MOD Single : A 16 ASN :FLIP amide:sc= -0.152 F(o=-1.7!,f=-0.15) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 13:sc= 0.91 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc=-0.00914 K(o=-0.0091,f=-1.8!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -87:sc= 0.681 USER MOD Single : A 48 ASN : amide:sc= -0.815 X(o=-0.81,f=-1.1) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.436 K(o=-0.44,f=-2.7!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 159:sc= 1.07 USER MOD Single : A 58 SER OG : rot 180:sc=-0.00823 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.716! F(o=-1.3,f=-0.72!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -52:sc= 0.548 USER MOD Single : A 74 GLN : amide:sc= -0.249 K(o=-0.25,f=-0.99) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -4.54! C(o=-4.5!,f=-7.6!) USER MOD Single : A 86 ASN :FLIP amide:sc= -0.774 F(o=-1.6,f=-0.77) USER MOD Single : A 87 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.28) USER MOD Single : A 89 MET CE :methyl -146:sc= 0 (180deg=-2.82!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -2.81! C(o=-2.8!,f=-7.5!) USER MOD Single : A 96 ASN : amide:sc= -3.3! C(o=-3.3!,f=-4.4!) USER MOD Single : A 97 THR OG1 : rot 180:sc=0.000674 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.16!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -11.824 -7.183 19.440 1.00 0.00 N ATOM 21 CA THR A 2 -11.316 -7.345 18.044 1.00 0.00 C ATOM 22 C THR A 2 -11.926 -6.260 17.153 1.00 0.00 C ATOM 23 O THR A 2 -13.116 -6.240 16.892 1.00 0.00 O ATOM 24 CB THR A 2 -11.711 -8.730 17.528 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.078 -8.973 17.825 1.00 0.00 O ATOM 26 CG2 THR A 2 -10.839 -9.787 18.211 1.00 0.00 C ATOM 0 HA THR A 2 -10.230 -7.249 18.028 1.00 0.00 H new ATOM 0 HB THR A 2 -11.564 -8.778 16.449 1.00 0.00 H new ATOM 0 HG1 THR A 2 -13.364 -8.384 18.555 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.115 -10.777 17.848 1.00 0.00 H new ATOM 0 HG22 THR A 2 -9.790 -9.596 17.983 1.00 0.00 H new ATOM 0 HG23 THR A 2 -10.990 -9.741 19.290 1.00 0.00 H new ATOM 34 N LEU A 3 -11.112 -5.355 16.692 1.00 0.00 N ATOM 35 CA LEU A 3 -11.614 -4.257 15.823 1.00 0.00 C ATOM 36 C LEU A 3 -12.161 -4.839 14.520 1.00 0.00 C ATOM 37 O LEU A 3 -13.169 -4.402 14.005 1.00 0.00 O ATOM 38 CB LEU A 3 -10.456 -3.308 15.504 1.00 0.00 C ATOM 39 CG LEU A 3 -10.966 -2.088 14.720 1.00 0.00 C ATOM 40 CD1 LEU A 3 -11.958 -1.275 15.574 1.00 0.00 C ATOM 41 CD2 LEU A 3 -9.768 -1.212 14.330 1.00 0.00 C ATOM 0 H LEU A 3 -10.110 -5.329 16.882 1.00 0.00 H new ATOM 0 HA LEU A 3 -12.409 -3.718 16.338 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.979 -2.981 16.428 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.698 -3.832 14.922 1.00 0.00 H new ATOM 0 HG LEU A 3 -11.485 -2.426 13.823 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -12.309 -0.415 15.004 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -12.807 -1.904 15.843 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -11.460 -0.931 16.481 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.119 -0.343 13.773 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -9.251 -0.881 15.231 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.082 -1.789 13.709 1.00 0.00 H new ATOM 53 N GLU A 4 -11.486 -5.811 13.976 1.00 0.00 N ATOM 54 CA GLU A 4 -11.943 -6.417 12.697 1.00 0.00 C ATOM 55 C GLU A 4 -13.345 -7.004 12.870 1.00 0.00 C ATOM 56 O GLU A 4 -14.174 -6.921 11.987 1.00 0.00 O ATOM 57 CB GLU A 4 -10.962 -7.520 12.294 1.00 0.00 C ATOM 58 CG GLU A 4 -10.976 -8.628 13.351 1.00 0.00 C ATOM 59 CD GLU A 4 -9.886 -9.651 13.040 1.00 0.00 C ATOM 60 OE1 GLU A 4 -8.806 -9.239 12.648 1.00 0.00 O ATOM 61 OE2 GLU A 4 -10.150 -10.831 13.197 1.00 0.00 O ATOM 0 H GLU A 4 -10.633 -6.214 14.365 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.978 -5.654 11.920 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.236 -7.928 11.321 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.957 -7.109 12.196 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.816 -8.201 14.341 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -11.951 -9.115 13.368 1.00 0.00 H new ATOM 68 N LEU A 5 -13.617 -7.597 13.996 1.00 0.00 N ATOM 69 CA LEU A 5 -14.963 -8.185 14.215 1.00 0.00 C ATOM 70 C LEU A 5 -16.010 -7.072 14.187 1.00 0.00 C ATOM 71 O LEU A 5 -17.072 -7.219 13.618 1.00 0.00 O ATOM 72 CB LEU A 5 -14.995 -8.890 15.575 1.00 0.00 C ATOM 73 CG LEU A 5 -16.399 -9.450 15.857 1.00 0.00 C ATOM 74 CD1 LEU A 5 -16.836 -10.395 14.726 1.00 0.00 C ATOM 75 CD2 LEU A 5 -16.375 -10.214 17.186 1.00 0.00 C ATOM 0 H LEU A 5 -12.965 -7.700 14.774 1.00 0.00 H new ATOM 0 HA LEU A 5 -15.181 -8.908 13.429 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -14.265 -9.699 15.589 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.711 -8.190 16.361 1.00 0.00 H new ATOM 0 HG LEU A 5 -17.109 -8.625 15.915 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -17.832 -10.783 14.940 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -16.855 -9.849 13.783 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.132 -11.224 14.652 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -17.367 -10.614 17.393 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -15.659 -11.033 17.122 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -16.081 -9.538 17.989 1.00 0.00 H new ATOM 87 N GLN A 6 -15.714 -5.961 14.802 1.00 0.00 N ATOM 88 CA GLN A 6 -16.689 -4.835 14.818 1.00 0.00 C ATOM 89 C GLN A 6 -17.003 -4.427 13.374 1.00 0.00 C ATOM 90 O GLN A 6 -18.139 -4.201 13.012 1.00 0.00 O ATOM 91 CB GLN A 6 -16.046 -3.650 15.572 1.00 0.00 C ATOM 92 CG GLN A 6 -16.552 -3.594 17.016 1.00 0.00 C ATOM 93 CD GLN A 6 -16.347 -4.951 17.687 1.00 0.00 C ATOM 94 OE1 GLN A 6 -15.419 -5.666 17.371 1.00 0.00 O ATOM 95 NE2 GLN A 6 -17.183 -5.336 18.611 1.00 0.00 N ATOM 0 H GLN A 6 -14.839 -5.784 15.295 1.00 0.00 H new ATOM 0 HA GLN A 6 -17.613 -5.131 15.314 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.961 -3.753 15.565 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -16.281 -2.716 15.062 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.019 -2.820 17.568 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -17.608 -3.326 17.031 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -17.963 -4.734 18.876 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -17.057 -6.239 19.069 1.00 0.00 H new ATOM 104 N LEU A 7 -16.000 -4.334 12.556 1.00 0.00 N ATOM 105 CA LEU A 7 -16.223 -3.943 11.139 1.00 0.00 C ATOM 106 C LEU A 7 -17.102 -4.985 10.450 1.00 0.00 C ATOM 107 O LEU A 7 -17.991 -4.658 9.690 1.00 0.00 O ATOM 108 CB LEU A 7 -14.872 -3.854 10.428 1.00 0.00 C ATOM 109 CG LEU A 7 -15.077 -3.583 8.931 1.00 0.00 C ATOM 110 CD1 LEU A 7 -15.950 -2.339 8.732 1.00 0.00 C ATOM 111 CD2 LEU A 7 -13.714 -3.352 8.283 1.00 0.00 C ATOM 0 H LEU A 7 -15.028 -4.513 12.807 1.00 0.00 H new ATOM 0 HA LEU A 7 -16.723 -2.975 11.099 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -14.272 -3.059 10.870 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -14.319 -4.784 10.564 1.00 0.00 H new ATOM 0 HG LEU A 7 -15.574 -4.438 8.473 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -16.088 -2.158 7.666 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -16.921 -2.497 9.202 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -15.463 -1.476 9.187 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -13.845 -3.158 7.218 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -13.229 -2.495 8.751 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -13.093 -4.238 8.417 1.00 0.00 H new ATOM 123 N LYS A 8 -16.857 -6.236 10.707 1.00 0.00 N ATOM 124 CA LYS A 8 -17.670 -7.303 10.067 1.00 0.00 C ATOM 125 C LYS A 8 -19.136 -7.140 10.476 1.00 0.00 C ATOM 126 O LYS A 8 -20.035 -7.295 9.676 1.00 0.00 O ATOM 127 CB LYS A 8 -17.154 -8.665 10.531 1.00 0.00 C ATOM 128 CG LYS A 8 -15.782 -8.932 9.906 1.00 0.00 C ATOM 129 CD LYS A 8 -15.244 -10.273 10.409 1.00 0.00 C ATOM 130 CE LYS A 8 -13.846 -10.509 9.836 1.00 0.00 C ATOM 131 NZ LYS A 8 -13.936 -10.682 8.359 1.00 0.00 N ATOM 0 H LYS A 8 -16.125 -6.567 11.336 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.591 -7.231 8.982 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.080 -8.687 11.618 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.855 -9.449 10.243 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.862 -8.945 8.819 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.090 -8.130 10.165 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.207 -10.277 11.498 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.912 -11.080 10.110 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.197 -9.667 10.075 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.400 -11.394 10.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.434 -11.549 8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.935 -10.755 8.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.502 -9.863 7.887 1.00 0.00 H new ATOM 145 N HIS A 9 -19.383 -6.824 11.714 1.00 0.00 N ATOM 146 CA HIS A 9 -20.787 -6.642 12.168 1.00 0.00 C ATOM 147 C HIS A 9 -21.344 -5.327 11.607 1.00 0.00 C ATOM 148 O HIS A 9 -22.493 -5.239 11.223 1.00 0.00 O ATOM 149 CB HIS A 9 -20.830 -6.608 13.693 1.00 0.00 C ATOM 150 CG HIS A 9 -22.252 -6.438 14.149 1.00 0.00 C ATOM 151 ND1 HIS A 9 -23.237 -7.375 13.871 1.00 0.00 N ATOM 152 CD2 HIS A 9 -22.872 -5.444 14.860 1.00 0.00 C ATOM 153 CE1 HIS A 9 -24.385 -6.927 14.410 1.00 0.00 C ATOM 154 NE2 HIS A 9 -24.218 -5.752 15.024 1.00 0.00 N ATOM 0 H HIS A 9 -18.672 -6.684 12.432 1.00 0.00 H new ATOM 0 HA HIS A 9 -21.394 -7.473 11.808 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -20.414 -7.529 14.100 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -20.216 -5.788 14.067 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -22.388 -4.555 15.236 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -25.327 -7.453 14.353 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -24.926 -5.200 15.509 1.00 0.00 H new ATOM 162 N TYR A 10 -20.534 -4.300 11.575 1.00 0.00 N ATOM 163 CA TYR A 10 -21.000 -2.980 11.057 1.00 0.00 C ATOM 164 C TYR A 10 -21.388 -3.083 9.576 1.00 0.00 C ATOM 165 O TYR A 10 -22.442 -2.636 9.172 1.00 0.00 O ATOM 166 CB TYR A 10 -19.869 -1.959 11.215 1.00 0.00 C ATOM 167 CG TYR A 10 -20.283 -0.645 10.594 1.00 0.00 C ATOM 168 CD1 TYR A 10 -21.171 0.200 11.272 1.00 0.00 C ATOM 169 CD2 TYR A 10 -19.783 -0.276 9.339 1.00 0.00 C ATOM 170 CE1 TYR A 10 -21.557 1.414 10.695 1.00 0.00 C ATOM 171 CE2 TYR A 10 -20.170 0.938 8.763 1.00 0.00 C ATOM 172 CZ TYR A 10 -21.057 1.784 9.440 1.00 0.00 C ATOM 173 OH TYR A 10 -21.438 2.981 8.871 1.00 0.00 O ATOM 0 H TYR A 10 -19.563 -4.320 11.888 1.00 0.00 H new ATOM 0 HA TYR A 10 -21.877 -2.667 11.623 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -19.638 -1.817 12.271 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -18.962 -2.329 10.737 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -21.557 -0.086 12.239 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -19.099 -0.928 8.816 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -22.241 2.067 11.217 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -19.785 1.223 7.795 1.00 0.00 H new ATOM 0 HH TYR A 10 -20.999 3.084 8.001 1.00 0.00 H new ATOM 183 N ILE A 11 -20.543 -3.657 8.764 1.00 0.00 N ATOM 184 CA ILE A 11 -20.865 -3.771 7.314 1.00 0.00 C ATOM 185 C ILE A 11 -22.035 -4.734 7.108 1.00 0.00 C ATOM 186 O ILE A 11 -22.900 -4.503 6.288 1.00 0.00 O ATOM 187 CB ILE A 11 -19.636 -4.279 6.559 1.00 0.00 C ATOM 188 CG1 ILE A 11 -19.902 -4.223 5.054 1.00 0.00 C ATOM 189 CG2 ILE A 11 -19.332 -5.721 6.966 1.00 0.00 C ATOM 190 CD1 ILE A 11 -18.590 -4.433 4.296 1.00 0.00 C ATOM 0 H ILE A 11 -19.644 -4.052 9.042 1.00 0.00 H new ATOM 0 HA ILE A 11 -21.147 -2.790 6.932 1.00 0.00 H new ATOM 0 HB ILE A 11 -18.781 -3.649 6.805 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -20.624 -4.990 4.773 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -20.339 -3.261 4.787 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -18.455 -6.075 6.424 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -19.137 -5.763 8.038 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -20.186 -6.354 6.727 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -18.779 -4.393 3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -17.883 -3.650 4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -18.172 -5.406 4.555 1.00 0.00 H new ATOM 202 N THR A 12 -22.068 -5.811 7.839 1.00 0.00 N ATOM 203 CA THR A 12 -23.184 -6.781 7.673 1.00 0.00 C ATOM 204 C THR A 12 -24.507 -6.084 7.984 1.00 0.00 C ATOM 205 O THR A 12 -25.478 -6.251 7.288 1.00 0.00 O ATOM 206 CB THR A 12 -22.993 -7.949 8.642 1.00 0.00 C ATOM 207 OG1 THR A 12 -22.733 -7.431 9.934 1.00 0.00 O ATOM 208 CG2 THR A 12 -21.816 -8.830 8.195 1.00 0.00 C ATOM 0 H THR A 12 -21.373 -6.061 8.542 1.00 0.00 H new ATOM 0 HA THR A 12 -23.193 -7.153 6.649 1.00 0.00 H new ATOM 0 HB THR A 12 -23.897 -8.558 8.655 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.623 -6.459 9.881 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.694 -9.656 8.895 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.015 -9.225 7.199 1.00 0.00 H new ATOM 0 HG23 THR A 12 -20.903 -8.234 8.174 1.00 0.00 H new ATOM 216 N ASN A 13 -24.549 -5.303 9.024 1.00 0.00 N ATOM 217 CA ASN A 13 -25.808 -4.588 9.366 1.00 0.00 C ATOM 218 C ASN A 13 -26.118 -3.558 8.279 1.00 0.00 C ATOM 219 O ASN A 13 -27.255 -3.359 7.901 1.00 0.00 O ATOM 220 CB ASN A 13 -25.641 -3.884 10.712 1.00 0.00 C ATOM 221 CG ASN A 13 -25.723 -4.915 11.839 1.00 0.00 C ATOM 222 OD1 ASN A 13 -25.318 -4.588 13.033 1.00 0.00 O flip ATOM 223 ND2 ASN A 13 -26.164 -6.029 11.630 1.00 0.00 N flip ATOM 0 H ASN A 13 -23.765 -5.128 9.653 1.00 0.00 H new ATOM 0 HA ASN A 13 -26.630 -5.301 9.431 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -24.683 -3.366 10.747 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -26.417 -3.129 10.838 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -26.481 -6.285 10.695 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -26.217 -6.707 12.390 1.00 0.00 H new ATOM 230 N LEU A 14 -25.112 -2.891 7.783 1.00 0.00 N ATOM 231 CA LEU A 14 -25.344 -1.865 6.729 1.00 0.00 C ATOM 232 C LEU A 14 -25.941 -2.530 5.492 1.00 0.00 C ATOM 233 O LEU A 14 -26.872 -2.033 4.893 1.00 0.00 O ATOM 234 CB LEU A 14 -24.005 -1.214 6.361 1.00 0.00 C ATOM 235 CG LEU A 14 -24.199 -0.190 5.229 1.00 0.00 C ATOM 236 CD1 LEU A 14 -25.230 0.873 5.642 1.00 0.00 C ATOM 237 CD2 LEU A 14 -22.855 0.482 4.928 1.00 0.00 C ATOM 0 H LEU A 14 -24.139 -3.013 8.063 1.00 0.00 H new ATOM 0 HA LEU A 14 -26.034 -1.107 7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -23.580 -0.722 7.236 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -23.295 -1.980 6.049 1.00 0.00 H new ATOM 0 HG LEU A 14 -24.565 -0.702 4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -25.357 1.591 4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -26.185 0.391 5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -24.880 1.392 6.535 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -22.983 1.210 4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -22.493 0.988 5.823 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -22.132 -0.273 4.620 1.00 0.00 H new ATOM 249 N PHE A 15 -25.410 -3.653 5.106 1.00 0.00 N ATOM 250 CA PHE A 15 -25.932 -4.369 3.911 1.00 0.00 C ATOM 251 C PHE A 15 -26.885 -5.467 4.388 1.00 0.00 C ATOM 252 O PHE A 15 -27.451 -6.202 3.606 1.00 0.00 O ATOM 253 CB PHE A 15 -24.749 -4.990 3.160 1.00 0.00 C ATOM 254 CG PHE A 15 -23.953 -3.900 2.477 1.00 0.00 C ATOM 255 CD1 PHE A 15 -24.359 -3.418 1.228 1.00 0.00 C ATOM 256 CD2 PHE A 15 -22.808 -3.372 3.092 1.00 0.00 C ATOM 257 CE1 PHE A 15 -23.624 -2.411 0.592 1.00 0.00 C ATOM 258 CE2 PHE A 15 -22.072 -2.364 2.454 1.00 0.00 C ATOM 259 CZ PHE A 15 -22.480 -1.884 1.204 1.00 0.00 C ATOM 0 H PHE A 15 -24.627 -4.111 5.573 1.00 0.00 H new ATOM 0 HA PHE A 15 -26.463 -3.687 3.247 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -24.112 -5.539 3.854 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -25.109 -5.707 2.423 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -25.241 -3.823 0.754 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -22.494 -3.742 4.057 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -23.939 -2.040 -0.372 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -21.190 -1.958 2.927 1.00 0.00 H new ATOM 0 HZ PHE A 15 -21.913 -1.108 0.712 1.00 0.00 H new ATOM 269 N ASN A 16 -27.044 -5.584 5.677 1.00 0.00 N ATOM 270 CA ASN A 16 -27.935 -6.631 6.243 1.00 0.00 C ATOM 271 C ASN A 16 -27.506 -7.996 5.711 1.00 0.00 C ATOM 272 O ASN A 16 -28.321 -8.861 5.469 1.00 0.00 O ATOM 273 CB ASN A 16 -29.392 -6.349 5.867 1.00 0.00 C ATOM 274 CG ASN A 16 -29.887 -5.131 6.651 1.00 0.00 C ATOM 275 OD1 ASN A 16 -29.490 -4.957 7.884 1.00 0.00 O flip ATOM 276 ND2 ASN A 16 -30.648 -4.335 6.140 1.00 0.00 N flip ATOM 0 H ASN A 16 -26.588 -4.990 6.370 1.00 0.00 H new ATOM 0 HA ASN A 16 -27.855 -6.625 7.330 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -29.475 -6.165 4.796 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -30.012 -7.217 6.090 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -30.958 -4.471 5.178 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -30.978 -3.530 6.673 1.00 0.00 H new ATOM 283 N LEU A 17 -26.227 -8.202 5.523 1.00 0.00 N ATOM 284 CA LEU A 17 -25.762 -9.517 5.006 1.00 0.00 C ATOM 285 C LEU A 17 -25.671 -10.520 6.169 1.00 0.00 C ATOM 286 O LEU A 17 -25.488 -10.129 7.305 1.00 0.00 O ATOM 287 CB LEU A 17 -24.387 -9.350 4.348 1.00 0.00 C ATOM 288 CG LEU A 17 -24.554 -8.690 2.965 1.00 0.00 C ATOM 289 CD1 LEU A 17 -23.226 -8.079 2.518 1.00 0.00 C ATOM 290 CD2 LEU A 17 -24.993 -9.729 1.922 1.00 0.00 C ATOM 0 H LEU A 17 -25.492 -7.519 5.705 1.00 0.00 H new ATOM 0 HA LEU A 17 -26.468 -9.892 4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.742 -8.738 4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -23.902 -10.321 4.243 1.00 0.00 H new ATOM 0 HG LEU A 17 -25.315 -7.914 3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -23.350 -7.614 1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -22.910 -7.326 3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -22.469 -8.861 2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -25.106 -9.245 0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -24.240 -10.514 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.945 -10.166 2.222 1.00 0.00 H new ATOM 302 N PRO A 18 -25.799 -11.805 5.899 1.00 0.00 N ATOM 303 CA PRO A 18 -25.732 -12.859 6.968 1.00 0.00 C ATOM 304 C PRO A 18 -24.513 -12.711 7.894 1.00 0.00 C ATOM 305 O PRO A 18 -23.397 -12.525 7.454 1.00 0.00 O ATOM 306 CB PRO A 18 -25.631 -14.168 6.170 1.00 0.00 C ATOM 307 CG PRO A 18 -26.294 -13.882 4.862 1.00 0.00 C ATOM 308 CD PRO A 18 -26.043 -12.401 4.566 1.00 0.00 C ATOM 0 HA PRO A 18 -26.593 -12.801 7.633 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -24.591 -14.463 6.028 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -26.127 -14.987 6.692 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -25.883 -14.511 4.072 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -27.362 -14.092 4.914 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -25.186 -12.266 3.906 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -26.900 -11.941 4.074 1.00 0.00 H new ATOM 316 N ARG A 19 -24.738 -12.804 9.183 1.00 0.00 N ATOM 317 CA ARG A 19 -23.624 -12.682 10.172 1.00 0.00 C ATOM 318 C ARG A 19 -23.088 -14.074 10.528 1.00 0.00 C ATOM 319 O ARG A 19 -22.008 -14.215 11.063 1.00 0.00 O ATOM 320 CB ARG A 19 -24.160 -12.009 11.439 1.00 0.00 C ATOM 321 CG ARG A 19 -24.574 -10.568 11.124 1.00 0.00 C ATOM 322 CD ARG A 19 -25.138 -9.911 12.389 1.00 0.00 C ATOM 323 NE ARG A 19 -26.448 -10.534 12.732 1.00 0.00 N ATOM 324 CZ ARG A 19 -26.975 -10.352 13.915 1.00 0.00 C ATOM 325 NH1 ARG A 19 -26.349 -9.633 14.807 1.00 0.00 N ATOM 326 NH2 ARG A 19 -28.126 -10.893 14.207 1.00 0.00 N ATOM 0 H ARG A 19 -25.658 -12.961 9.595 1.00 0.00 H new ATOM 0 HA ARG A 19 -22.818 -12.088 9.742 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -25.013 -12.566 11.825 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -23.396 -12.016 12.217 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -23.716 -10.003 10.759 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -25.322 -10.558 10.331 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -24.439 -10.031 13.216 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -25.263 -8.840 12.230 1.00 0.00 H new ATOM 0 HE ARG A 19 -26.935 -11.105 12.041 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -25.448 -9.212 14.582 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -26.761 -9.492 15.729 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -28.615 -11.458 13.513 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -28.537 -10.751 15.130 1.00 0.00 H new ATOM 340 N ASP A 20 -23.844 -15.102 10.252 1.00 0.00 N ATOM 341 CA ASP A 20 -23.390 -16.483 10.591 1.00 0.00 C ATOM 342 C ASP A 20 -22.595 -17.071 9.424 1.00 0.00 C ATOM 343 O ASP A 20 -22.111 -18.181 9.492 1.00 0.00 O ATOM 344 CB ASP A 20 -24.614 -17.359 10.858 1.00 0.00 C ATOM 345 CG ASP A 20 -25.307 -16.890 12.139 1.00 0.00 C ATOM 346 OD1 ASP A 20 -24.681 -16.166 12.897 1.00 0.00 O ATOM 347 OD2 ASP A 20 -26.451 -17.261 12.340 1.00 0.00 O ATOM 0 H ASP A 20 -24.759 -15.046 9.805 1.00 0.00 H new ATOM 0 HA ASP A 20 -22.755 -16.448 11.476 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -25.305 -17.303 10.017 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -24.314 -18.402 10.955 1.00 0.00 H new ATOM 352 N GLU A 21 -22.450 -16.339 8.352 1.00 0.00 N ATOM 353 CA GLU A 21 -21.679 -16.868 7.190 1.00 0.00 C ATOM 354 C GLU A 21 -20.203 -16.499 7.350 1.00 0.00 C ATOM 355 O GLU A 21 -19.819 -15.353 7.242 1.00 0.00 O ATOM 356 CB GLU A 21 -22.238 -16.268 5.893 1.00 0.00 C ATOM 357 CG GLU A 21 -23.633 -16.844 5.620 1.00 0.00 C ATOM 358 CD GLU A 21 -23.526 -18.343 5.328 1.00 0.00 C ATOM 359 OE1 GLU A 21 -22.447 -18.778 4.958 1.00 0.00 O ATOM 360 OE2 GLU A 21 -24.520 -19.031 5.487 1.00 0.00 O ATOM 0 H GLU A 21 -22.831 -15.401 8.231 1.00 0.00 H new ATOM 0 HA GLU A 21 -21.771 -17.953 7.148 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -22.291 -15.182 5.976 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -21.572 -16.492 5.060 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -24.280 -16.677 6.481 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -24.089 -16.331 4.774 1.00 0.00 H new ATOM 367 N LYS A 22 -19.378 -17.475 7.617 1.00 0.00 N ATOM 368 CA LYS A 22 -17.925 -17.209 7.801 1.00 0.00 C ATOM 369 C LYS A 22 -17.243 -17.062 6.441 1.00 0.00 C ATOM 370 O LYS A 22 -17.617 -17.698 5.477 1.00 0.00 O ATOM 371 CB LYS A 22 -17.294 -18.372 8.567 1.00 0.00 C ATOM 372 CG LYS A 22 -15.814 -18.079 8.821 1.00 0.00 C ATOM 373 CD LYS A 22 -15.207 -19.211 9.650 1.00 0.00 C ATOM 374 CE LYS A 22 -13.732 -18.909 9.916 1.00 0.00 C ATOM 375 NZ LYS A 22 -13.142 -20.002 10.738 1.00 0.00 N ATOM 0 H LYS A 22 -19.652 -18.453 7.716 1.00 0.00 H new ATOM 0 HA LYS A 22 -17.796 -16.284 8.363 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -17.813 -18.521 9.514 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.399 -19.295 7.997 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.283 -17.982 7.874 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.705 -17.130 9.346 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.744 -19.315 10.593 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.306 -20.158 9.120 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.193 -18.817 8.973 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.633 -17.955 10.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.139 -19.797 10.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.651 -20.069 11.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.224 -20.904 10.227 1.00 0.00 H new ATOM 389 N TRP A 23 -16.241 -16.222 6.360 1.00 0.00 N ATOM 390 CA TRP A 23 -15.520 -16.015 5.066 1.00 0.00 C ATOM 391 C TRP A 23 -14.187 -16.758 5.097 1.00 0.00 C ATOM 392 O TRP A 23 -13.788 -17.296 6.110 1.00 0.00 O ATOM 393 CB TRP A 23 -15.255 -14.521 4.870 1.00 0.00 C ATOM 394 CG TRP A 23 -16.488 -13.740 5.195 1.00 0.00 C ATOM 395 CD1 TRP A 23 -17.756 -14.209 5.116 1.00 0.00 C ATOM 396 CD2 TRP A 23 -16.591 -12.361 5.655 1.00 0.00 C ATOM 397 NE1 TRP A 23 -18.628 -13.204 5.494 1.00 0.00 N ATOM 398 CE2 TRP A 23 -17.957 -12.046 5.835 1.00 0.00 C ATOM 399 CE3 TRP A 23 -15.638 -11.362 5.929 1.00 0.00 C ATOM 400 CZ2 TRP A 23 -18.366 -10.785 6.270 1.00 0.00 C ATOM 401 CZ3 TRP A 23 -16.045 -10.092 6.367 1.00 0.00 C ATOM 402 CH2 TRP A 23 -17.407 -9.804 6.538 1.00 0.00 C ATOM 0 H TRP A 23 -15.889 -15.667 7.140 1.00 0.00 H new ATOM 0 HA TRP A 23 -16.131 -16.395 4.247 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -14.432 -14.201 5.510 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -14.952 -14.328 3.841 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -18.040 -15.205 4.808 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -19.643 -13.306 5.518 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -14.587 -11.574 5.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -19.416 -10.568 6.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -15.305 -9.333 6.573 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -17.714 -8.826 6.876 1.00 0.00 H new ATOM 413 N GLU A 24 -13.494 -16.790 3.986 1.00 0.00 N ATOM 414 CA GLU A 24 -12.179 -17.496 3.920 1.00 0.00 C ATOM 415 C GLU A 24 -11.054 -16.468 3.809 1.00 0.00 C ATOM 416 O GLU A 24 -11.002 -15.684 2.883 1.00 0.00 O ATOM 417 CB GLU A 24 -12.180 -18.410 2.697 1.00 0.00 C ATOM 418 CG GLU A 24 -13.143 -19.570 2.948 1.00 0.00 C ATOM 419 CD GLU A 24 -13.228 -20.450 1.702 1.00 0.00 C ATOM 420 OE1 GLU A 24 -12.563 -20.132 0.731 1.00 0.00 O ATOM 421 OE2 GLU A 24 -13.959 -21.426 1.740 1.00 0.00 O ATOM 0 H GLU A 24 -13.787 -16.352 3.113 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.022 -18.090 4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.483 -17.853 1.810 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.175 -18.788 2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.802 -20.160 3.799 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.131 -19.186 3.202 1.00 0.00 H new ATOM 428 N CYS A 25 -10.161 -16.460 4.761 1.00 0.00 N ATOM 429 CA CYS A 25 -9.043 -15.479 4.737 1.00 0.00 C ATOM 430 C CYS A 25 -7.933 -15.975 3.814 1.00 0.00 C ATOM 431 O CYS A 25 -7.636 -17.152 3.766 1.00 0.00 O ATOM 432 CB CYS A 25 -8.498 -15.306 6.159 1.00 0.00 C ATOM 433 SG CYS A 25 -7.480 -16.735 6.607 1.00 0.00 S ATOM 0 H CYS A 25 -10.159 -17.096 5.559 1.00 0.00 H new ATOM 0 HA CYS A 25 -9.407 -14.522 4.364 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.906 -14.393 6.222 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -9.323 -15.201 6.864 1.00 0.00 H new ATOM 0 HG CYS A 25 -7.229 -17.439 5.544 1.00 0.00 H new ATOM 439 N GLU A 26 -7.312 -15.079 3.089 1.00 0.00 N ATOM 440 CA GLU A 26 -6.203 -15.471 2.164 1.00 0.00 C ATOM 441 C GLU A 26 -4.930 -14.742 2.587 1.00 0.00 C ATOM 442 O GLU A 26 -4.857 -13.530 2.552 1.00 0.00 O ATOM 443 CB GLU A 26 -6.578 -15.080 0.734 1.00 0.00 C ATOM 444 CG GLU A 26 -5.456 -15.495 -0.217 1.00 0.00 C ATOM 445 CD GLU A 26 -5.875 -15.207 -1.658 1.00 0.00 C ATOM 446 OE1 GLU A 26 -7.055 -14.982 -1.876 1.00 0.00 O ATOM 447 OE2 GLU A 26 -5.012 -15.220 -2.519 1.00 0.00 O ATOM 0 H GLU A 26 -7.528 -14.082 3.098 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.038 -16.548 2.207 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.511 -15.564 0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.744 -14.005 0.671 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.542 -14.951 0.023 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.237 -16.556 -0.096 1.00 0.00 H new ATOM 454 N SER A 27 -3.929 -15.473 2.997 1.00 0.00 N ATOM 455 CA SER A 27 -2.660 -14.832 3.443 1.00 0.00 C ATOM 456 C SER A 27 -1.722 -14.653 2.248 1.00 0.00 C ATOM 457 O SER A 27 -1.231 -15.609 1.684 1.00 0.00 O ATOM 458 CB SER A 27 -1.992 -15.737 4.480 1.00 0.00 C ATOM 459 OG SER A 27 -0.742 -15.179 4.863 1.00 0.00 O ATOM 0 H SER A 27 -3.936 -16.492 3.042 1.00 0.00 H new ATOM 0 HA SER A 27 -2.874 -13.856 3.878 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.636 -15.845 5.352 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.845 -16.735 4.066 1.00 0.00 H new ATOM 0 HG SER A 27 -0.315 -15.758 5.528 1.00 0.00 H new ATOM 465 N ILE A 28 -1.464 -13.431 1.862 1.00 0.00 N ATOM 466 CA ILE A 28 -0.550 -13.182 0.709 1.00 0.00 C ATOM 467 C ILE A 28 0.230 -11.889 0.955 1.00 0.00 C ATOM 468 O ILE A 28 -0.328 -10.878 1.328 1.00 0.00 O ATOM 469 CB ILE A 28 -1.366 -13.065 -0.579 1.00 0.00 C ATOM 470 CG1 ILE A 28 -0.413 -12.835 -1.753 1.00 0.00 C ATOM 471 CG2 ILE A 28 -2.345 -11.893 -0.470 1.00 0.00 C ATOM 472 CD1 ILE A 28 -1.172 -12.991 -3.070 1.00 0.00 C ATOM 0 H ILE A 28 -1.848 -12.592 2.297 1.00 0.00 H new ATOM 0 HA ILE A 28 0.150 -14.012 0.609 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.932 -13.983 -0.739 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.024 -11.838 -1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.411 -13.547 -1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.923 -11.815 -1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.020 -12.060 0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.790 -10.969 -0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.490 -12.827 -3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.587 -13.997 -3.134 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.980 -12.261 -3.113 1.00 0.00 H new ATOM 484 N GLU A 29 1.517 -11.919 0.756 1.00 0.00 N ATOM 485 CA GLU A 29 2.340 -10.698 0.988 1.00 0.00 C ATOM 486 C GLU A 29 2.262 -9.774 -0.228 1.00 0.00 C ATOM 487 O GLU A 29 2.397 -10.207 -1.354 1.00 0.00 O ATOM 488 CB GLU A 29 3.790 -11.122 1.226 1.00 0.00 C ATOM 489 CG GLU A 29 3.881 -11.851 2.567 1.00 0.00 C ATOM 490 CD GLU A 29 5.303 -12.371 2.779 1.00 0.00 C ATOM 491 OE1 GLU A 29 6.133 -12.139 1.918 1.00 0.00 O ATOM 492 OE2 GLU A 29 5.536 -12.993 3.804 1.00 0.00 O ATOM 0 H GLU A 29 2.037 -12.738 0.442 1.00 0.00 H new ATOM 0 HA GLU A 29 1.963 -10.160 1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.129 -11.773 0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.442 -10.249 1.227 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.606 -11.176 3.378 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.174 -12.680 2.589 1.00 0.00 H new ATOM 499 N GLU A 30 2.051 -8.500 -0.014 1.00 0.00 N ATOM 500 CA GLU A 30 1.973 -7.556 -1.170 1.00 0.00 C ATOM 501 C GLU A 30 2.341 -6.142 -0.713 1.00 0.00 C ATOM 502 O GLU A 30 2.202 -5.793 0.442 1.00 0.00 O ATOM 503 CB GLU A 30 0.552 -7.561 -1.747 1.00 0.00 C ATOM 504 CG GLU A 30 0.484 -6.616 -2.953 1.00 0.00 C ATOM 505 CD GLU A 30 -0.901 -6.694 -3.592 1.00 0.00 C ATOM 506 OE1 GLU A 30 -1.783 -7.275 -2.980 1.00 0.00 O ATOM 507 OE2 GLU A 30 -1.058 -6.170 -4.681 1.00 0.00 O ATOM 0 H GLU A 30 1.930 -8.075 0.905 1.00 0.00 H new ATOM 0 HA GLU A 30 2.675 -7.876 -1.940 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.274 -8.571 -2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.162 -7.247 -0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.692 -5.594 -2.638 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.247 -6.887 -3.683 1.00 0.00 H new ATOM 514 N VAL A 31 2.815 -5.330 -1.620 1.00 0.00 N ATOM 515 CA VAL A 31 3.201 -3.936 -1.260 1.00 0.00 C ATOM 516 C VAL A 31 1.954 -3.112 -0.928 1.00 0.00 C ATOM 517 O VAL A 31 0.947 -3.188 -1.603 1.00 0.00 O ATOM 518 CB VAL A 31 3.937 -3.299 -2.436 1.00 0.00 C ATOM 519 CG1 VAL A 31 4.225 -1.829 -2.127 1.00 0.00 C ATOM 520 CG2 VAL A 31 5.256 -4.040 -2.663 1.00 0.00 C ATOM 0 H VAL A 31 2.952 -5.575 -2.601 1.00 0.00 H new ATOM 0 HA VAL A 31 3.851 -3.958 -0.386 1.00 0.00 H new ATOM 0 HB VAL A 31 3.319 -3.364 -3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.750 -1.377 -2.968 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.286 -1.302 -1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.844 -1.760 -1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.787 -3.590 -3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.871 -3.971 -1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.051 -5.088 -2.883 1.00 0.00 H new ATOM 530 N ALA A 32 2.021 -2.324 0.109 1.00 0.00 N ATOM 531 CA ALA A 32 0.850 -1.488 0.497 1.00 0.00 C ATOM 532 C ALA A 32 0.509 -0.507 -0.633 1.00 0.00 C ATOM 533 O ALA A 32 -0.642 -0.237 -0.907 1.00 0.00 O ATOM 534 CB ALA A 32 1.210 -0.698 1.754 1.00 0.00 C ATOM 0 H ALA A 32 2.841 -2.223 0.708 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.011 -2.129 0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.362 -0.081 2.051 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.456 -1.389 2.560 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.069 -0.060 1.549 1.00 0.00 H new ATOM 540 N ASP A 33 1.502 0.036 -1.278 1.00 0.00 N ATOM 541 CA ASP A 33 1.239 1.011 -2.377 1.00 0.00 C ATOM 542 C ASP A 33 0.581 0.306 -3.570 1.00 0.00 C ATOM 543 O ASP A 33 0.107 0.943 -4.488 1.00 0.00 O ATOM 544 CB ASP A 33 2.571 1.618 -2.820 1.00 0.00 C ATOM 545 CG ASP A 33 2.317 2.842 -3.701 1.00 0.00 C ATOM 546 OD1 ASP A 33 1.233 3.395 -3.616 1.00 0.00 O ATOM 547 OD2 ASP A 33 3.213 3.209 -4.440 1.00 0.00 O ATOM 0 H ASP A 33 2.487 -0.152 -1.093 1.00 0.00 H new ATOM 0 HA ASP A 33 0.567 1.790 -2.017 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.159 1.903 -1.948 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.153 0.878 -3.369 1.00 0.00 H new ATOM 552 N ASP A 34 0.547 -1.001 -3.568 1.00 0.00 N ATOM 553 CA ASP A 34 -0.082 -1.739 -4.708 1.00 0.00 C ATOM 554 C ASP A 34 -1.548 -2.040 -4.394 1.00 0.00 C ATOM 555 O ASP A 34 -2.273 -2.557 -5.220 1.00 0.00 O ATOM 556 CB ASP A 34 0.665 -3.051 -4.937 1.00 0.00 C ATOM 557 CG ASP A 34 2.050 -2.753 -5.512 1.00 0.00 C ATOM 558 OD1 ASP A 34 2.299 -1.603 -5.836 1.00 0.00 O ATOM 559 OD2 ASP A 34 2.837 -3.678 -5.619 1.00 0.00 O ATOM 0 H ASP A 34 0.927 -1.591 -2.828 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.028 -1.121 -5.605 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.759 -3.598 -3.999 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.104 -3.687 -5.622 1.00 0.00 H new ATOM 564 N ILE A 35 -1.989 -1.722 -3.204 1.00 0.00 N ATOM 565 CA ILE A 35 -3.413 -1.981 -2.816 1.00 0.00 C ATOM 566 C ILE A 35 -4.005 -0.714 -2.210 1.00 0.00 C ATOM 567 O ILE A 35 -5.175 -0.433 -2.365 1.00 0.00 O ATOM 568 CB ILE A 35 -3.463 -3.112 -1.784 1.00 0.00 C ATOM 569 CG1 ILE A 35 -2.384 -2.887 -0.720 1.00 0.00 C ATOM 570 CG2 ILE A 35 -3.219 -4.453 -2.479 1.00 0.00 C ATOM 571 CD1 ILE A 35 -2.608 -3.844 0.451 1.00 0.00 C ATOM 0 H ILE A 35 -1.420 -1.290 -2.476 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.987 -2.269 -3.697 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.444 -3.122 -1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.396 -3.049 -1.150 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.414 -1.855 -0.370 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.255 -5.256 -1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.989 -4.617 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.239 -4.442 -2.957 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.839 -3.681 1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.590 -3.661 0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.555 -4.873 0.095 1.00 0.00 H new ATOM 583 N LEU A 36 -3.206 0.055 -1.516 1.00 0.00 N ATOM 584 CA LEU A 36 -3.722 1.307 -0.890 1.00 0.00 C ATOM 585 C LEU A 36 -3.402 2.501 -1.805 1.00 0.00 C ATOM 586 O LEU A 36 -2.549 2.410 -2.667 1.00 0.00 O ATOM 587 CB LEU A 36 -3.041 1.504 0.480 1.00 0.00 C ATOM 588 CG LEU A 36 -3.952 1.010 1.606 1.00 0.00 C ATOM 589 CD1 LEU A 36 -4.049 -0.513 1.552 1.00 0.00 C ATOM 590 CD2 LEU A 36 -3.362 1.441 2.940 1.00 0.00 C ATOM 0 H LEU A 36 -2.216 -0.132 -1.356 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.801 1.237 -0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.096 0.962 0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.808 2.558 0.629 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.949 1.434 1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.698 -0.865 2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.463 -0.817 0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.056 -0.945 1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.003 1.094 3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.367 1.010 3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.292 2.528 2.973 1.00 0.00 H new ATOM 602 N PRO A 37 -4.063 3.621 -1.609 1.00 0.00 N ATOM 603 CA PRO A 37 -3.808 4.846 -2.428 1.00 0.00 C ATOM 604 C PRO A 37 -2.337 5.290 -2.372 1.00 0.00 C ATOM 605 O PRO A 37 -1.682 5.191 -1.354 1.00 0.00 O ATOM 606 CB PRO A 37 -4.713 5.920 -1.790 1.00 0.00 C ATOM 607 CG PRO A 37 -5.764 5.169 -1.038 1.00 0.00 C ATOM 608 CD PRO A 37 -5.131 3.843 -0.610 1.00 0.00 C ATOM 0 HA PRO A 37 -4.019 4.671 -3.483 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.142 6.567 -1.124 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.158 6.560 -2.552 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.099 5.736 -0.170 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.640 4.996 -1.664 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.727 3.901 0.401 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.859 3.032 -0.616 1.00 0.00 H new ATOM 616 N ASP A 38 -1.825 5.792 -3.463 1.00 0.00 N ATOM 617 CA ASP A 38 -0.411 6.260 -3.488 1.00 0.00 C ATOM 618 C ASP A 38 -0.264 7.485 -2.579 1.00 0.00 C ATOM 619 O ASP A 38 0.772 7.711 -1.986 1.00 0.00 O ATOM 620 CB ASP A 38 -0.031 6.632 -4.923 1.00 0.00 C ATOM 621 CG ASP A 38 -1.003 7.687 -5.456 1.00 0.00 C ATOM 622 OD1 ASP A 38 -1.955 7.995 -4.760 1.00 0.00 O ATOM 623 OD2 ASP A 38 -0.780 8.169 -6.555 1.00 0.00 O ATOM 0 H ASP A 38 -2.329 5.898 -4.343 1.00 0.00 H new ATOM 0 HA ASP A 38 0.247 5.468 -3.131 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.989 7.015 -4.952 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.056 5.746 -5.558 1.00 0.00 H new ATOM 628 N GLN A 39 -1.292 8.277 -2.473 1.00 0.00 N ATOM 629 CA GLN A 39 -1.220 9.491 -1.615 1.00 0.00 C ATOM 630 C GLN A 39 -1.025 9.086 -0.153 1.00 0.00 C ATOM 631 O GLN A 39 -0.319 9.736 0.589 1.00 0.00 O ATOM 632 CB GLN A 39 -2.519 10.282 -1.753 1.00 0.00 C ATOM 633 CG GLN A 39 -2.437 11.544 -0.892 1.00 0.00 C ATOM 634 CD GLN A 39 -3.638 12.444 -1.183 1.00 0.00 C ATOM 635 OE1 GLN A 39 -4.298 12.289 -2.190 1.00 0.00 O ATOM 636 NE2 GLN A 39 -3.950 13.387 -0.336 1.00 0.00 N ATOM 0 H GLN A 39 -2.184 8.135 -2.946 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.377 10.106 -1.931 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.686 10.550 -2.796 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.366 9.670 -1.442 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.419 11.275 0.164 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.510 12.079 -1.100 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.395 13.517 0.510 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.749 13.994 -0.520 1.00 0.00 H new ATOM 645 N TYR A 40 -1.649 8.020 0.272 1.00 0.00 N ATOM 646 CA TYR A 40 -1.498 7.581 1.689 1.00 0.00 C ATOM 647 C TYR A 40 -0.366 6.557 1.779 1.00 0.00 C ATOM 648 O TYR A 40 -0.052 6.057 2.839 1.00 0.00 O ATOM 649 CB TYR A 40 -2.815 6.953 2.163 1.00 0.00 C ATOM 650 CG TYR A 40 -3.797 8.050 2.510 1.00 0.00 C ATOM 651 CD1 TYR A 40 -3.684 8.724 3.732 1.00 0.00 C ATOM 652 CD2 TYR A 40 -4.812 8.398 1.609 1.00 0.00 C ATOM 653 CE1 TYR A 40 -4.585 9.746 4.054 1.00 0.00 C ATOM 654 CE2 TYR A 40 -5.713 9.422 1.931 1.00 0.00 C ATOM 655 CZ TYR A 40 -5.599 10.094 3.154 1.00 0.00 C ATOM 656 OH TYR A 40 -6.484 11.105 3.471 1.00 0.00 O ATOM 0 H TYR A 40 -2.257 7.435 -0.301 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.259 8.435 2.323 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.228 6.314 1.383 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.637 6.320 3.033 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.902 8.455 4.426 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.900 7.877 0.667 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.498 10.266 4.997 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -6.495 9.693 1.236 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.124 11.221 2.738 1.00 0.00 H new ATOM 666 N VAL A 41 0.264 6.255 0.673 1.00 0.00 N ATOM 667 CA VAL A 41 1.394 5.280 0.691 1.00 0.00 C ATOM 668 C VAL A 41 2.428 5.683 -0.363 1.00 0.00 C ATOM 669 O VAL A 41 2.330 5.312 -1.515 1.00 0.00 O ATOM 670 CB VAL A 41 0.872 3.872 0.390 1.00 0.00 C ATOM 671 CG1 VAL A 41 1.989 2.854 0.621 1.00 0.00 C ATOM 672 CG2 VAL A 41 -0.295 3.553 1.325 1.00 0.00 C ATOM 0 H VAL A 41 0.043 6.643 -0.244 1.00 0.00 H new ATOM 0 HA VAL A 41 1.858 5.283 1.677 1.00 0.00 H new ATOM 0 HB VAL A 41 0.539 3.824 -0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.618 1.852 0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.828 3.079 -0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.319 2.905 1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.668 2.551 1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.044 3.602 2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.094 4.278 1.170 1.00 0.00 H new ATOM 682 N ARG A 42 3.422 6.434 0.028 1.00 0.00 N ATOM 683 CA ARG A 42 4.476 6.859 -0.936 1.00 0.00 C ATOM 684 C ARG A 42 5.797 7.011 -0.183 1.00 0.00 C ATOM 685 O ARG A 42 6.743 6.291 -0.423 1.00 0.00 O ATOM 686 CB ARG A 42 4.088 8.200 -1.564 1.00 0.00 C ATOM 687 CG ARG A 42 5.130 8.596 -2.614 1.00 0.00 C ATOM 688 CD ARG A 42 4.723 9.922 -3.257 1.00 0.00 C ATOM 689 NE ARG A 42 5.750 10.322 -4.267 1.00 0.00 N ATOM 690 CZ ARG A 42 5.661 9.908 -5.506 1.00 0.00 C ATOM 691 NH1 ARG A 42 4.679 9.128 -5.870 1.00 0.00 N ATOM 692 NH2 ARG A 42 6.558 10.275 -6.382 1.00 0.00 N ATOM 0 H ARG A 42 3.549 6.774 0.981 1.00 0.00 H new ATOM 0 HA ARG A 42 4.580 6.113 -1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.103 8.126 -2.025 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.023 8.968 -0.794 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.112 8.690 -2.151 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.210 7.819 -3.375 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.748 9.823 -3.734 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.628 10.694 -2.494 1.00 0.00 H new ATOM 0 HE ARG A 42 6.526 10.922 -3.989 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.978 8.839 -5.188 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.613 8.808 -6.836 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.327 10.883 -6.100 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.490 9.953 -7.347 1.00 0.00 H new ATOM 706 N LEU A 43 5.866 7.948 0.728 1.00 0.00 N ATOM 707 CA LEU A 43 7.124 8.161 1.510 1.00 0.00 C ATOM 708 C LEU A 43 6.977 7.558 2.908 1.00 0.00 C ATOM 709 O LEU A 43 7.945 7.189 3.539 1.00 0.00 O ATOM 710 CB LEU A 43 7.383 9.668 1.652 1.00 0.00 C ATOM 711 CG LEU A 43 8.820 9.913 2.158 1.00 0.00 C ATOM 712 CD1 LEU A 43 9.833 9.774 1.010 1.00 0.00 C ATOM 713 CD2 LEU A 43 8.922 11.325 2.744 1.00 0.00 C ATOM 0 H LEU A 43 5.101 8.579 0.966 1.00 0.00 H new ATOM 0 HA LEU A 43 7.952 7.681 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.238 10.162 0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.665 10.105 2.346 1.00 0.00 H new ATOM 0 HG LEU A 43 9.047 9.170 2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.839 9.951 1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.774 8.769 0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.605 10.504 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.937 11.498 3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.679 12.057 1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.223 11.426 3.574 1.00 0.00 H new ATOM 725 N GLY A 44 5.779 7.490 3.410 1.00 0.00 N ATOM 726 CA GLY A 44 5.575 6.950 4.783 1.00 0.00 C ATOM 727 C GLY A 44 6.211 5.559 4.923 1.00 0.00 C ATOM 728 O GLY A 44 6.702 4.994 3.964 1.00 0.00 O ATOM 0 H GLY A 44 4.929 7.785 2.929 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.012 7.630 5.514 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.509 6.891 5.000 1.00 0.00 H new ATOM 732 N PRO A 45 6.189 5.004 6.118 1.00 0.00 N ATOM 733 CA PRO A 45 6.759 3.646 6.389 1.00 0.00 C ATOM 734 C PRO A 45 6.112 2.581 5.492 1.00 0.00 C ATOM 735 O PRO A 45 6.732 1.611 5.106 1.00 0.00 O ATOM 736 CB PRO A 45 6.412 3.378 7.869 1.00 0.00 C ATOM 737 CG PRO A 45 6.159 4.724 8.469 1.00 0.00 C ATOM 738 CD PRO A 45 5.623 5.607 7.339 1.00 0.00 C ATOM 0 HA PRO A 45 7.829 3.605 6.187 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.534 2.738 7.957 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.230 2.869 8.378 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.439 4.657 9.284 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.075 5.141 8.887 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.533 5.608 7.316 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.940 6.643 7.457 1.00 0.00 H new ATOM 746 N LEU A 46 4.859 2.762 5.182 1.00 0.00 N ATOM 747 CA LEU A 46 4.136 1.777 4.331 1.00 0.00 C ATOM 748 C LEU A 46 4.494 2.009 2.862 1.00 0.00 C ATOM 749 O LEU A 46 4.013 1.319 1.988 1.00 0.00 O ATOM 750 CB LEU A 46 2.628 1.972 4.507 1.00 0.00 C ATOM 751 CG LEU A 46 2.274 2.046 5.995 1.00 0.00 C ATOM 752 CD1 LEU A 46 0.755 2.156 6.146 1.00 0.00 C ATOM 753 CD2 LEU A 46 2.775 0.788 6.716 1.00 0.00 C ATOM 0 H LEU A 46 4.299 3.559 5.485 1.00 0.00 H new ATOM 0 HA LEU A 46 4.421 0.767 4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.311 2.886 4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.090 1.148 4.038 1.00 0.00 H new ATOM 0 HG LEU A 46 2.751 2.920 6.437 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.497 2.209 7.204 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.403 3.056 5.641 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.281 1.281 5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.519 0.849 7.774 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.305 -0.093 6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.857 0.713 6.608 1.00 0.00 H new ATOM 765 N SER A 47 5.319 2.993 2.596 1.00 0.00 N ATOM 766 CA SER A 47 5.722 3.321 1.190 1.00 0.00 C ATOM 767 C SER A 47 5.785 2.059 0.314 1.00 0.00 C ATOM 768 O SER A 47 4.792 1.618 -0.225 1.00 0.00 O ATOM 769 CB SER A 47 7.099 3.985 1.218 1.00 0.00 C ATOM 770 OG SER A 47 7.945 3.268 2.109 1.00 0.00 O ATOM 0 H SER A 47 5.738 3.594 3.306 1.00 0.00 H new ATOM 0 HA SER A 47 4.977 3.992 0.762 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.531 3.997 0.217 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.009 5.023 1.539 1.00 0.00 H new ATOM 0 HG SER A 47 7.828 3.612 3.019 1.00 0.00 H new ATOM 776 N ASN A 48 6.951 1.485 0.169 1.00 0.00 N ATOM 777 CA ASN A 48 7.106 0.257 -0.670 1.00 0.00 C ATOM 778 C ASN A 48 7.265 -0.949 0.254 1.00 0.00 C ATOM 779 O ASN A 48 7.776 -1.980 -0.130 1.00 0.00 O ATOM 780 CB ASN A 48 8.359 0.413 -1.539 1.00 0.00 C ATOM 781 CG ASN A 48 8.551 -0.828 -2.411 1.00 0.00 C ATOM 782 OD1 ASN A 48 9.459 -1.605 -2.190 1.00 0.00 O ATOM 783 ND2 ASN A 48 7.735 -1.045 -3.405 1.00 0.00 N ATOM 0 H ASN A 48 7.813 1.818 0.601 1.00 0.00 H new ATOM 0 HA ASN A 48 6.234 0.115 -1.309 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.267 1.298 -2.168 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.234 0.561 -0.906 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.859 -1.867 -3.997 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.973 -0.393 -3.591 1.00 0.00 H new ATOM 790 N LYS A 49 6.846 -0.813 1.481 1.00 0.00 N ATOM 791 CA LYS A 49 6.986 -1.932 2.454 1.00 0.00 C ATOM 792 C LYS A 49 6.003 -3.063 2.127 1.00 0.00 C ATOM 793 O LYS A 49 4.869 -2.830 1.750 1.00 0.00 O ATOM 794 CB LYS A 49 6.715 -1.404 3.872 1.00 0.00 C ATOM 795 CG LYS A 49 7.372 -2.325 4.908 1.00 0.00 C ATOM 796 CD LYS A 49 7.226 -1.720 6.306 1.00 0.00 C ATOM 797 CE LYS A 49 7.974 -2.597 7.311 1.00 0.00 C ATOM 798 NZ LYS A 49 7.284 -3.912 7.432 1.00 0.00 N ATOM 0 H LYS A 49 6.410 0.030 1.854 1.00 0.00 H new ATOM 0 HA LYS A 49 7.999 -2.329 2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.106 -0.392 3.973 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.641 -1.350 4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.908 -3.311 4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.427 -2.462 4.669 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.626 -0.706 6.321 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.173 -1.651 6.578 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.004 -2.743 6.986 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.013 -2.104 8.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.453 -4.307 8.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.262 -3.782 7.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.654 -4.566 6.713 1.00 0.00 H new ATOM 812 N ILE A 50 6.435 -4.289 2.282 1.00 0.00 N ATOM 813 CA ILE A 50 5.538 -5.450 2.002 1.00 0.00 C ATOM 814 C ILE A 50 4.847 -5.869 3.296 1.00 0.00 C ATOM 815 O ILE A 50 5.482 -6.313 4.231 1.00 0.00 O ATOM 816 CB ILE A 50 6.373 -6.610 1.467 1.00 0.00 C ATOM 817 CG1 ILE A 50 7.017 -6.192 0.144 1.00 0.00 C ATOM 818 CG2 ILE A 50 5.473 -7.824 1.242 1.00 0.00 C ATOM 819 CD1 ILE A 50 8.039 -7.245 -0.293 1.00 0.00 C ATOM 0 H ILE A 50 7.375 -4.536 2.592 1.00 0.00 H new ATOM 0 HA ILE A 50 4.788 -5.172 1.262 1.00 0.00 H new ATOM 0 HB ILE A 50 7.150 -6.869 2.186 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.251 -6.076 -0.623 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.505 -5.224 0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.069 -8.653 0.860 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.011 -8.114 2.186 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.696 -7.572 0.520 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.494 -6.941 -1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.812 -7.340 0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.539 -8.205 -0.424 1.00 0.00 H new ATOM 831 N LEU A 51 3.548 -5.716 3.359 1.00 0.00 N ATOM 832 CA LEU A 51 2.787 -6.085 4.593 1.00 0.00 C ATOM 833 C LEU A 51 1.932 -7.321 4.331 1.00 0.00 C ATOM 834 O LEU A 51 1.533 -7.599 3.211 1.00 0.00 O ATOM 835 CB LEU A 51 1.898 -4.898 5.004 1.00 0.00 C ATOM 836 CG LEU A 51 2.705 -3.934 5.885 1.00 0.00 C ATOM 837 CD1 LEU A 51 3.927 -3.412 5.118 1.00 0.00 C ATOM 838 CD2 LEU A 51 1.812 -2.764 6.310 1.00 0.00 C ATOM 0 H LEU A 51 2.976 -5.347 2.600 1.00 0.00 H new ATOM 0 HA LEU A 51 3.483 -6.315 5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.534 -4.379 4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.023 -5.256 5.546 1.00 0.00 H new ATOM 0 HG LEU A 51 3.053 -4.464 6.772 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.491 -2.729 5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.562 -4.250 4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.597 -2.885 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.384 -2.079 6.936 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.457 -2.237 5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.959 -3.143 6.873 1.00 0.00 H new ATOM 850 N GLN A 52 1.656 -8.066 5.365 1.00 0.00 N ATOM 851 CA GLN A 52 0.834 -9.286 5.200 1.00 0.00 C ATOM 852 C GLN A 52 -0.596 -8.870 4.882 1.00 0.00 C ATOM 853 O GLN A 52 -1.279 -8.288 5.699 1.00 0.00 O ATOM 854 CB GLN A 52 0.867 -10.088 6.499 1.00 0.00 C ATOM 855 CG GLN A 52 0.121 -11.407 6.301 1.00 0.00 C ATOM 856 CD GLN A 52 0.152 -12.213 7.601 1.00 0.00 C ATOM 857 OE1 GLN A 52 -0.337 -11.765 8.620 1.00 0.00 O ATOM 858 NE2 GLN A 52 0.709 -13.392 7.607 1.00 0.00 N ATOM 0 H GLN A 52 1.967 -7.878 6.318 1.00 0.00 H new ATOM 0 HA GLN A 52 1.224 -9.902 4.389 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.898 -10.282 6.793 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.408 -9.515 7.305 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.910 -11.213 6.006 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.581 -11.979 5.495 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.119 -13.767 6.751 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.735 -13.939 8.467 1.00 0.00 H new ATOM 867 N THR A 53 -1.052 -9.151 3.694 1.00 0.00 N ATOM 868 CA THR A 53 -2.436 -8.759 3.310 1.00 0.00 C ATOM 869 C THR A 53 -3.373 -9.949 3.494 1.00 0.00 C ATOM 870 O THR A 53 -3.216 -10.976 2.867 1.00 0.00 O ATOM 871 CB THR A 53 -2.432 -8.328 1.842 1.00 0.00 C ATOM 872 OG1 THR A 53 -1.594 -7.191 1.689 1.00 0.00 O ATOM 873 CG2 THR A 53 -3.851 -7.978 1.399 1.00 0.00 C ATOM 0 H THR A 53 -0.524 -9.637 2.970 1.00 0.00 H new ATOM 0 HA THR A 53 -2.780 -7.937 3.937 1.00 0.00 H new ATOM 0 HB THR A 53 -2.058 -9.147 1.227 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.588 -6.913 0.749 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.841 -7.672 0.353 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.494 -8.850 1.516 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.233 -7.161 2.012 1.00 0.00 H new ATOM 881 N ASN A 54 -4.353 -9.809 4.348 1.00 0.00 N ATOM 882 CA ASN A 54 -5.327 -10.916 4.584 1.00 0.00 C ATOM 883 C ASN A 54 -6.651 -10.533 3.934 1.00 0.00 C ATOM 884 O ASN A 54 -7.437 -9.794 4.489 1.00 0.00 O ATOM 885 CB ASN A 54 -5.511 -11.109 6.091 1.00 0.00 C ATOM 886 CG ASN A 54 -4.265 -11.795 6.659 1.00 0.00 C ATOM 887 OD1 ASN A 54 -3.481 -12.356 5.920 1.00 0.00 O ATOM 888 ND2 ASN A 54 -4.050 -11.779 7.945 1.00 0.00 N ATOM 0 H ASN A 54 -4.522 -8.966 4.898 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.964 -11.849 4.153 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -5.666 -10.146 6.578 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.397 -11.713 6.288 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.224 -12.237 8.330 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.708 -11.308 8.566 1.00 0.00 H new ATOM 895 N THR A 55 -6.893 -11.017 2.746 1.00 0.00 N ATOM 896 CA THR A 55 -8.156 -10.665 2.033 1.00 0.00 C ATOM 897 C THR A 55 -9.199 -11.755 2.260 1.00 0.00 C ATOM 898 O THR A 55 -8.965 -12.917 1.997 1.00 0.00 O ATOM 899 CB THR A 55 -7.863 -10.531 0.537 1.00 0.00 C ATOM 900 OG1 THR A 55 -6.906 -9.500 0.342 1.00 0.00 O ATOM 901 CG2 THR A 55 -9.149 -10.185 -0.220 1.00 0.00 C ATOM 0 H THR A 55 -6.269 -11.643 2.236 1.00 0.00 H new ATOM 0 HA THR A 55 -8.543 -9.721 2.417 1.00 0.00 H new ATOM 0 HB THR A 55 -7.473 -11.476 0.159 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.712 -9.410 -0.614 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.931 -10.092 -1.284 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.884 -10.975 -0.068 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.548 -9.242 0.153 1.00 0.00 H new ATOM 909 N TYR A 56 -10.353 -11.387 2.744 1.00 0.00 N ATOM 910 CA TYR A 56 -11.423 -12.395 2.989 1.00 0.00 C ATOM 911 C TYR A 56 -12.298 -12.506 1.748 1.00 0.00 C ATOM 912 O TYR A 56 -12.665 -11.515 1.150 1.00 0.00 O ATOM 913 CB TYR A 56 -12.273 -11.948 4.175 1.00 0.00 C ATOM 914 CG TYR A 56 -11.438 -11.988 5.429 1.00 0.00 C ATOM 915 CD1 TYR A 56 -10.578 -10.926 5.727 1.00 0.00 C ATOM 916 CD2 TYR A 56 -11.523 -13.086 6.294 1.00 0.00 C ATOM 917 CE1 TYR A 56 -9.801 -10.958 6.891 1.00 0.00 C ATOM 918 CE2 TYR A 56 -10.746 -13.119 7.459 1.00 0.00 C ATOM 919 CZ TYR A 56 -9.886 -12.055 7.756 1.00 0.00 C ATOM 920 OH TYR A 56 -9.120 -12.089 8.904 1.00 0.00 O ATOM 0 H TYR A 56 -10.602 -10.427 2.982 1.00 0.00 H new ATOM 0 HA TYR A 56 -10.976 -13.365 3.208 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -12.650 -10.939 4.007 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.141 -12.599 4.281 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -10.513 -10.080 5.058 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -12.187 -13.906 6.063 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -9.137 -10.138 7.121 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -10.810 -13.965 8.128 1.00 0.00 H new ATOM 0 HH TYR A 56 -9.300 -12.919 9.393 1.00 0.00 H new ATOM 930 N TYR A 57 -12.634 -13.705 1.353 1.00 0.00 N ATOM 931 CA TYR A 57 -13.487 -13.891 0.143 1.00 0.00 C ATOM 932 C TYR A 57 -14.542 -14.953 0.430 1.00 0.00 C ATOM 933 O TYR A 57 -14.236 -16.031 0.900 1.00 0.00 O ATOM 934 CB TYR A 57 -12.611 -14.344 -1.025 1.00 0.00 C ATOM 935 CG TYR A 57 -11.993 -15.687 -0.707 1.00 0.00 C ATOM 936 CD1 TYR A 57 -10.843 -15.759 0.089 1.00 0.00 C ATOM 937 CD2 TYR A 57 -12.568 -16.856 -1.217 1.00 0.00 C ATOM 938 CE1 TYR A 57 -10.267 -17.005 0.374 1.00 0.00 C ATOM 939 CE2 TYR A 57 -11.992 -18.100 -0.933 1.00 0.00 C ATOM 940 CZ TYR A 57 -10.841 -18.174 -0.138 1.00 0.00 C ATOM 941 OH TYR A 57 -10.274 -19.401 0.139 1.00 0.00 O ATOM 0 H TYR A 57 -12.353 -14.568 1.819 1.00 0.00 H new ATOM 0 HA TYR A 57 -13.977 -12.951 -0.112 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -13.208 -14.414 -1.934 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -11.829 -13.608 -1.213 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -10.400 -14.856 0.483 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.456 -16.799 -1.829 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -9.381 -17.063 0.988 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -12.435 -19.003 -1.327 1.00 0.00 H new ATOM 0 HH TYR A 57 -10.942 -20.106 0.011 1.00 0.00 H new ATOM 951 N SER A 58 -15.783 -14.652 0.155 1.00 0.00 N ATOM 952 CA SER A 58 -16.880 -15.634 0.406 1.00 0.00 C ATOM 953 C SER A 58 -17.833 -15.635 -0.786 1.00 0.00 C ATOM 954 O SER A 58 -17.853 -14.716 -1.579 1.00 0.00 O ATOM 955 CB SER A 58 -17.645 -15.233 1.666 1.00 0.00 C ATOM 956 OG SER A 58 -18.604 -16.238 1.969 1.00 0.00 O ATOM 0 H SER A 58 -16.087 -13.760 -0.236 1.00 0.00 H new ATOM 0 HA SER A 58 -16.457 -16.629 0.541 1.00 0.00 H new ATOM 0 HB2 SER A 58 -16.955 -15.108 2.501 1.00 0.00 H new ATOM 0 HB3 SER A 58 -18.140 -14.274 1.516 1.00 0.00 H new ATOM 0 HG SER A 58 -19.097 -15.987 2.778 1.00 0.00 H new ATOM 962 N ASP A 59 -18.627 -16.658 -0.915 1.00 0.00 N ATOM 963 CA ASP A 59 -19.588 -16.721 -2.050 1.00 0.00 C ATOM 964 C ASP A 59 -20.550 -15.532 -1.972 1.00 0.00 C ATOM 965 O ASP A 59 -20.823 -14.875 -2.954 1.00 0.00 O ATOM 966 CB ASP A 59 -20.379 -18.023 -1.948 1.00 0.00 C ATOM 967 CG ASP A 59 -21.358 -18.127 -3.116 1.00 0.00 C ATOM 968 OD1 ASP A 59 -21.471 -17.167 -3.858 1.00 0.00 O ATOM 969 OD2 ASP A 59 -21.980 -19.168 -3.247 1.00 0.00 O ATOM 0 H ASP A 59 -18.653 -17.457 -0.281 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.049 -16.684 -2.997 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -19.698 -18.874 -1.955 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -20.921 -18.057 -1.003 1.00 0.00 H new ATOM 974 N THR A 60 -21.065 -15.250 -0.805 1.00 0.00 N ATOM 975 CA THR A 60 -22.006 -14.105 -0.660 1.00 0.00 C ATOM 976 C THR A 60 -21.271 -12.800 -0.981 1.00 0.00 C ATOM 977 O THR A 60 -21.764 -11.958 -1.703 1.00 0.00 O ATOM 978 CB THR A 60 -22.525 -14.056 0.776 1.00 0.00 C ATOM 979 OG1 THR A 60 -22.961 -15.352 1.160 1.00 0.00 O ATOM 980 CG2 THR A 60 -23.693 -13.076 0.865 1.00 0.00 C ATOM 0 H THR A 60 -20.873 -15.765 0.054 1.00 0.00 H new ATOM 0 HA THR A 60 -22.843 -14.230 -1.347 1.00 0.00 H new ATOM 0 HB THR A 60 -21.728 -13.726 1.442 1.00 0.00 H new ATOM 0 HG1 THR A 60 -23.293 -15.326 2.082 1.00 0.00 H new ATOM 0 HG21 THR A 60 -24.062 -13.042 1.890 1.00 0.00 H new ATOM 0 HG22 THR A 60 -23.358 -12.083 0.567 1.00 0.00 H new ATOM 0 HG23 THR A 60 -24.494 -13.403 0.202 1.00 0.00 H new ATOM 988 N LEU A 61 -20.092 -12.632 -0.448 1.00 0.00 N ATOM 989 CA LEU A 61 -19.317 -11.389 -0.720 1.00 0.00 C ATOM 990 C LEU A 61 -19.004 -11.317 -2.215 1.00 0.00 C ATOM 991 O LEU A 61 -19.061 -10.270 -2.825 1.00 0.00 O ATOM 992 CB LEU A 61 -18.000 -11.426 0.062 1.00 0.00 C ATOM 993 CG LEU A 61 -18.268 -11.329 1.573 1.00 0.00 C ATOM 994 CD1 LEU A 61 -16.954 -11.564 2.326 1.00 0.00 C ATOM 995 CD2 LEU A 61 -18.835 -9.942 1.935 1.00 0.00 C ATOM 0 H LEU A 61 -19.631 -13.304 0.166 1.00 0.00 H new ATOM 0 HA LEU A 61 -19.900 -10.520 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -17.464 -12.349 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -17.360 -10.602 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 61 -19.001 -12.084 1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -17.133 -11.497 3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -16.568 -12.554 2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -16.226 -10.808 2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -19.018 -9.893 3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -18.118 -9.171 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -19.771 -9.780 1.399 1.00 0.00 H new ATOM 1007 N HIS A 62 -18.666 -12.428 -2.801 1.00 0.00 N ATOM 1008 CA HIS A 62 -18.336 -12.445 -4.250 1.00 0.00 C ATOM 1009 C HIS A 62 -19.528 -11.933 -5.063 1.00 0.00 C ATOM 1010 O HIS A 62 -19.377 -11.144 -5.972 1.00 0.00 O ATOM 1011 CB HIS A 62 -18.022 -13.879 -4.665 1.00 0.00 C ATOM 1012 CG HIS A 62 -17.669 -13.909 -6.123 1.00 0.00 C ATOM 1013 ND1 HIS A 62 -16.475 -13.395 -6.602 1.00 0.00 N ATOM 1014 CD2 HIS A 62 -18.345 -14.377 -7.220 1.00 0.00 C ATOM 1015 CE1 HIS A 62 -16.469 -13.563 -7.936 1.00 0.00 C ATOM 1016 NE2 HIS A 62 -17.586 -14.158 -8.365 1.00 0.00 N ATOM 0 H HIS A 62 -18.604 -13.333 -2.334 1.00 0.00 H new ATOM 0 HA HIS A 62 -17.476 -11.802 -4.436 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -17.195 -14.269 -4.071 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -18.882 -14.521 -4.474 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -19.318 -14.844 -7.199 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -15.660 -13.255 -8.582 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -17.830 -14.400 -9.326 1.00 0.00 H new ATOM 1024 N LYS A 63 -20.709 -12.380 -4.747 1.00 0.00 N ATOM 1025 CA LYS A 63 -21.907 -11.923 -5.505 1.00 0.00 C ATOM 1026 C LYS A 63 -22.103 -10.418 -5.305 1.00 0.00 C ATOM 1027 O LYS A 63 -22.444 -9.698 -6.222 1.00 0.00 O ATOM 1028 CB LYS A 63 -23.141 -12.666 -4.996 1.00 0.00 C ATOM 1029 CG LYS A 63 -23.051 -14.144 -5.392 1.00 0.00 C ATOM 1030 CD LYS A 63 -24.230 -14.919 -4.784 1.00 0.00 C ATOM 1031 CE LYS A 63 -25.519 -14.634 -5.567 1.00 0.00 C ATOM 1032 NZ LYS A 63 -26.581 -15.590 -5.139 1.00 0.00 N ATOM 0 H LYS A 63 -20.898 -13.043 -3.995 1.00 0.00 H new ATOM 0 HA LYS A 63 -21.764 -12.130 -6.565 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -23.213 -12.573 -3.912 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -24.044 -12.221 -5.414 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -23.062 -14.240 -6.478 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -22.108 -14.566 -5.044 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -24.017 -15.988 -4.799 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -24.361 -14.634 -3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -25.845 -13.609 -5.391 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -25.336 -14.731 -6.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -27.455 -15.398 -5.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -26.268 -16.564 -5.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -26.761 -15.476 -4.121 1.00 0.00 H new ATOM 1046 N SER A 64 -21.894 -9.939 -4.112 1.00 0.00 N ATOM 1047 CA SER A 64 -22.070 -8.487 -3.844 1.00 0.00 C ATOM 1048 C SER A 64 -20.864 -7.721 -4.397 1.00 0.00 C ATOM 1049 O SER A 64 -20.815 -6.510 -4.358 1.00 0.00 O ATOM 1050 CB SER A 64 -22.180 -8.269 -2.334 1.00 0.00 C ATOM 1051 OG SER A 64 -23.338 -8.941 -1.851 1.00 0.00 O ATOM 0 H SER A 64 -21.607 -10.495 -3.306 1.00 0.00 H new ATOM 0 HA SER A 64 -22.976 -8.124 -4.329 1.00 0.00 H new ATOM 0 HB2 SER A 64 -21.289 -8.648 -1.833 1.00 0.00 H new ATOM 0 HB3 SER A 64 -22.243 -7.204 -2.111 1.00 0.00 H new ATOM 0 HG SER A 64 -23.414 -8.807 -0.883 1.00 0.00 H new ATOM 1057 N ASN A 65 -19.893 -8.428 -4.910 1.00 0.00 N ATOM 1058 CA ASN A 65 -18.679 -7.763 -5.471 1.00 0.00 C ATOM 1059 C ASN A 65 -17.986 -6.940 -4.385 1.00 0.00 C ATOM 1060 O ASN A 65 -17.528 -5.843 -4.630 1.00 0.00 O ATOM 1061 CB ASN A 65 -19.068 -6.846 -6.637 1.00 0.00 C ATOM 1062 CG ASN A 65 -17.804 -6.405 -7.381 1.00 0.00 C ATOM 1063 OD1 ASN A 65 -17.426 -7.054 -8.448 1.00 0.00 O flip ATOM 1064 ND2 ASN A 65 -17.152 -5.459 -6.985 1.00 0.00 N flip ATOM 0 H ASN A 65 -19.888 -9.446 -4.965 1.00 0.00 H new ATOM 0 HA ASN A 65 -17.997 -8.532 -5.833 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -19.740 -7.370 -7.317 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -19.607 -5.975 -6.265 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -17.446 -4.950 -6.151 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.311 -5.174 -7.487 1.00 0.00 H new ATOM 1071 N ILE A 66 -17.894 -7.470 -3.189 1.00 0.00 N ATOM 1072 CA ILE A 66 -17.216 -6.734 -2.073 1.00 0.00 C ATOM 1073 C ILE A 66 -15.947 -7.498 -1.693 1.00 0.00 C ATOM 1074 O ILE A 66 -15.977 -8.691 -1.472 1.00 0.00 O ATOM 1075 CB ILE A 66 -18.152 -6.663 -0.864 1.00 0.00 C ATOM 1076 CG1 ILE A 66 -19.448 -5.972 -1.281 1.00 0.00 C ATOM 1077 CG2 ILE A 66 -17.488 -5.852 0.255 1.00 0.00 C ATOM 1078 CD1 ILE A 66 -20.463 -6.053 -0.140 1.00 0.00 C ATOM 0 H ILE A 66 -18.262 -8.387 -2.936 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.965 -5.721 -2.388 1.00 0.00 H new ATOM 0 HB ILE A 66 -18.363 -7.670 -0.505 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -19.251 -4.930 -1.533 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -19.853 -6.445 -2.176 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -18.156 -5.803 1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.555 -6.333 0.548 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -17.280 -4.843 -0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -21.387 -5.559 -0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.668 -7.098 0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -20.058 -5.559 0.743 1.00 0.00 H new ATOM 1090 N TYR A 67 -14.833 -6.813 -1.622 1.00 0.00 N ATOM 1091 CA TYR A 67 -13.542 -7.477 -1.262 1.00 0.00 C ATOM 1092 C TYR A 67 -13.014 -6.867 0.044 1.00 0.00 C ATOM 1093 O TYR A 67 -12.228 -5.941 0.025 1.00 0.00 O ATOM 1094 CB TYR A 67 -12.531 -7.237 -2.387 1.00 0.00 C ATOM 1095 CG TYR A 67 -12.870 -8.133 -3.556 1.00 0.00 C ATOM 1096 CD1 TYR A 67 -12.579 -9.500 -3.490 1.00 0.00 C ATOM 1097 CD2 TYR A 67 -13.483 -7.601 -4.696 1.00 0.00 C ATOM 1098 CE1 TYR A 67 -12.900 -10.337 -4.562 1.00 0.00 C ATOM 1099 CE2 TYR A 67 -13.804 -8.438 -5.772 1.00 0.00 C ATOM 1100 CZ TYR A 67 -13.512 -9.807 -5.704 1.00 0.00 C ATOM 1101 OH TYR A 67 -13.829 -10.632 -6.762 1.00 0.00 O ATOM 0 H TYR A 67 -14.762 -5.811 -1.800 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.693 -8.548 -1.128 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -12.553 -6.192 -2.696 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -11.520 -7.444 -2.035 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -12.106 -9.909 -2.609 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -13.708 -6.546 -4.746 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -12.676 -11.392 -4.509 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.276 -8.029 -6.653 1.00 0.00 H new ATOM 0 HH TYR A 67 -14.249 -10.105 -7.473 1.00 0.00 H new ATOM 1111 N PRO A 68 -13.454 -7.373 1.174 1.00 0.00 N ATOM 1112 CA PRO A 68 -13.024 -6.856 2.503 1.00 0.00 C ATOM 1113 C PRO A 68 -11.670 -7.446 2.916 1.00 0.00 C ATOM 1114 O PRO A 68 -11.530 -8.646 3.031 1.00 0.00 O ATOM 1115 CB PRO A 68 -14.146 -7.321 3.442 1.00 0.00 C ATOM 1116 CG PRO A 68 -14.700 -8.569 2.819 1.00 0.00 C ATOM 1117 CD PRO A 68 -14.404 -8.493 1.310 1.00 0.00 C ATOM 0 HA PRO A 68 -12.881 -5.775 2.515 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.763 -7.519 4.443 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.917 -6.557 3.541 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.240 -9.455 3.257 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.773 -8.645 2.998 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.974 -9.425 0.943 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.313 -8.314 0.736 1.00 0.00 H new ATOM 1125 N PHE A 69 -10.666 -6.620 3.126 1.00 0.00 N ATOM 1126 CA PHE A 69 -9.323 -7.162 3.514 1.00 0.00 C ATOM 1127 C PHE A 69 -8.719 -6.327 4.638 1.00 0.00 C ATOM 1128 O PHE A 69 -9.056 -5.174 4.825 1.00 0.00 O ATOM 1129 CB PHE A 69 -8.382 -7.126 2.302 1.00 0.00 C ATOM 1130 CG PHE A 69 -8.053 -5.696 1.937 1.00 0.00 C ATOM 1131 CD1 PHE A 69 -7.062 -5.009 2.648 1.00 0.00 C ATOM 1132 CD2 PHE A 69 -8.726 -5.063 0.885 1.00 0.00 C ATOM 1133 CE1 PHE A 69 -6.745 -3.690 2.311 1.00 0.00 C ATOM 1134 CE2 PHE A 69 -8.409 -3.741 0.548 1.00 0.00 C ATOM 1135 CZ PHE A 69 -7.418 -3.055 1.261 1.00 0.00 C ATOM 0 H PHE A 69 -10.719 -5.605 3.046 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.448 -8.189 3.857 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.466 -7.671 2.528 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.850 -7.627 1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.542 -5.499 3.458 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.489 -5.593 0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.981 -3.161 2.861 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -8.929 -3.251 -0.262 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.173 -2.036 1.001 1.00 0.00 H new ATOM 1145 N ILE A 70 -7.816 -6.911 5.383 1.00 0.00 N ATOM 1146 CA ILE A 70 -7.150 -6.182 6.500 1.00 0.00 C ATOM 1147 C ILE A 70 -5.648 -6.426 6.413 1.00 0.00 C ATOM 1148 O ILE A 70 -5.211 -7.460 5.953 1.00 0.00 O ATOM 1149 CB ILE A 70 -7.669 -6.701 7.840 1.00 0.00 C ATOM 1150 CG1 ILE A 70 -9.161 -6.387 7.962 1.00 0.00 C ATOM 1151 CG2 ILE A 70 -6.901 -6.018 8.972 1.00 0.00 C ATOM 1152 CD1 ILE A 70 -9.740 -7.100 9.185 1.00 0.00 C ATOM 0 H ILE A 70 -7.509 -7.876 5.261 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.365 -5.116 6.424 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.524 -7.780 7.902 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.310 -5.311 8.052 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.685 -6.707 7.061 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.266 -6.384 9.932 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.839 -6.243 8.878 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.050 -4.940 8.914 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.803 -6.874 9.269 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.605 -8.176 9.076 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.225 -6.759 10.083 1.00 0.00 H new ATOM 1164 N LEU A 71 -4.850 -5.478 6.836 1.00 0.00 N ATOM 1165 CA LEU A 71 -3.364 -5.646 6.762 1.00 0.00 C ATOM 1166 C LEU A 71 -2.795 -5.902 8.156 1.00 0.00 C ATOM 1167 O LEU A 71 -3.192 -5.288 9.126 1.00 0.00 O ATOM 1168 CB LEU A 71 -2.747 -4.372 6.189 1.00 0.00 C ATOM 1169 CG LEU A 71 -3.397 -4.051 4.840 1.00 0.00 C ATOM 1170 CD1 LEU A 71 -2.762 -2.787 4.262 1.00 0.00 C ATOM 1171 CD2 LEU A 71 -3.207 -5.224 3.865 1.00 0.00 C ATOM 0 H LEU A 71 -5.164 -4.591 7.231 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.128 -6.496 6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.892 -3.542 6.881 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.672 -4.500 6.065 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.465 -3.890 4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.222 -2.555 3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.917 -1.955 4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.693 -2.948 4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.674 -4.983 2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.142 -5.403 3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.670 -6.120 4.279 1.00 0.00 H new ATOM 1183 N TYR A 72 -1.862 -6.815 8.249 1.00 0.00 N ATOM 1184 CA TYR A 72 -1.236 -7.150 9.562 1.00 0.00 C ATOM 1185 C TYR A 72 0.285 -7.137 9.417 1.00 0.00 C ATOM 1186 O TYR A 72 0.821 -7.396 8.354 1.00 0.00 O ATOM 1187 CB TYR A 72 -1.685 -8.548 9.988 1.00 0.00 C ATOM 1188 CG TYR A 72 -3.173 -8.543 10.241 1.00 0.00 C ATOM 1189 CD1 TYR A 72 -3.670 -8.039 11.447 1.00 0.00 C ATOM 1190 CD2 TYR A 72 -4.053 -9.045 9.276 1.00 0.00 C ATOM 1191 CE1 TYR A 72 -5.049 -8.036 11.689 1.00 0.00 C ATOM 1192 CE2 TYR A 72 -5.432 -9.042 9.516 1.00 0.00 C ATOM 1193 CZ TYR A 72 -5.930 -8.537 10.723 1.00 0.00 C ATOM 1194 OH TYR A 72 -7.289 -8.535 10.964 1.00 0.00 O ATOM 0 H TYR A 72 -1.503 -7.350 7.458 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.540 -6.418 10.310 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.440 -9.273 9.212 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -1.153 -8.854 10.889 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -2.990 -7.652 12.192 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -3.668 -9.435 8.345 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.433 -7.647 12.621 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.111 -9.429 8.771 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.469 -8.967 11.825 1.00 0.00 H new ATOM 1204 N TYR A 73 0.986 -6.841 10.478 1.00 0.00 N ATOM 1205 CA TYR A 73 2.475 -6.817 10.412 1.00 0.00 C ATOM 1206 C TYR A 73 3.052 -7.279 11.753 1.00 0.00 C ATOM 1207 O TYR A 73 3.311 -6.488 12.634 1.00 0.00 O ATOM 1208 CB TYR A 73 2.949 -5.394 10.091 1.00 0.00 C ATOM 1209 CG TYR A 73 4.458 -5.338 10.141 1.00 0.00 C ATOM 1210 CD1 TYR A 73 5.217 -5.896 9.104 1.00 0.00 C ATOM 1211 CD2 TYR A 73 5.098 -4.727 11.226 1.00 0.00 C ATOM 1212 CE1 TYR A 73 6.614 -5.843 9.154 1.00 0.00 C ATOM 1213 CE2 TYR A 73 6.495 -4.675 11.274 1.00 0.00 C ATOM 1214 CZ TYR A 73 7.254 -5.232 10.238 1.00 0.00 C ATOM 1215 OH TYR A 73 8.632 -5.179 10.286 1.00 0.00 O ATOM 0 H TYR A 73 0.590 -6.614 11.390 1.00 0.00 H new ATOM 0 HA TYR A 73 2.821 -7.490 9.627 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.597 -5.097 9.103 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.525 -4.689 10.806 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.724 -6.367 8.266 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.513 -4.296 12.025 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.199 -6.274 8.355 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.989 -4.205 12.111 1.00 0.00 H new ATOM 0 HH TYR A 73 8.913 -4.720 11.105 1.00 0.00 H new ATOM 1225 N GLN A 74 3.256 -8.565 11.894 1.00 0.00 N ATOM 1226 CA GLN A 74 3.830 -9.138 13.153 1.00 0.00 C ATOM 1227 C GLN A 74 2.876 -8.931 14.338 1.00 0.00 C ATOM 1228 O GLN A 74 3.176 -8.222 15.276 1.00 0.00 O ATOM 1229 CB GLN A 74 5.185 -8.485 13.449 1.00 0.00 C ATOM 1230 CG GLN A 74 5.924 -9.288 14.524 1.00 0.00 C ATOM 1231 CD GLN A 74 6.332 -10.651 13.959 1.00 0.00 C ATOM 1232 OE1 GLN A 74 6.752 -10.748 12.823 1.00 0.00 O ATOM 1233 NE2 GLN A 74 6.223 -11.713 14.707 1.00 0.00 N ATOM 0 H GLN A 74 3.045 -9.257 11.175 1.00 0.00 H new ATOM 0 HA GLN A 74 3.967 -10.210 13.012 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.784 -8.440 12.539 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.039 -7.458 13.785 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.807 -8.742 14.857 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.284 -9.422 15.396 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.870 -11.631 15.661 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.490 -12.626 14.339 1.00 0.00 H new ATOM 1242 N LYS A 75 1.736 -9.567 14.304 1.00 0.00 N ATOM 1243 CA LYS A 75 0.759 -9.437 15.426 1.00 0.00 C ATOM 1244 C LYS A 75 0.477 -7.958 15.703 1.00 0.00 C ATOM 1245 O LYS A 75 0.372 -7.541 16.838 1.00 0.00 O ATOM 1246 CB LYS A 75 1.323 -10.107 16.689 1.00 0.00 C ATOM 1247 CG LYS A 75 1.345 -11.630 16.499 1.00 0.00 C ATOM 1248 CD LYS A 75 1.885 -12.308 17.764 1.00 0.00 C ATOM 1249 CE LYS A 75 1.877 -13.829 17.574 1.00 0.00 C ATOM 1250 NZ LYS A 75 2.382 -14.490 18.813 1.00 0.00 N ATOM 0 H LYS A 75 1.437 -10.176 13.542 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.172 -9.930 15.146 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.330 -9.741 16.888 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.713 -9.847 17.554 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.340 -11.992 16.283 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.968 -11.889 15.643 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.898 -11.962 17.970 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.274 -12.035 18.624 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.867 -14.173 17.352 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.501 -14.103 16.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.376 -15.522 18.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.353 -14.171 19.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.769 -14.239 19.615 1.00 0.00 H new ATOM 1264 N GLN A 76 0.346 -7.160 14.675 1.00 0.00 N ATOM 1265 CA GLN A 76 0.064 -5.708 14.880 1.00 0.00 C ATOM 1266 C GLN A 76 -0.811 -5.184 13.735 1.00 0.00 C ATOM 1267 O GLN A 76 -0.430 -5.215 12.584 1.00 0.00 O ATOM 1268 CB GLN A 76 1.389 -4.936 14.923 1.00 0.00 C ATOM 1269 CG GLN A 76 1.178 -3.578 15.599 1.00 0.00 C ATOM 1270 CD GLN A 76 0.257 -2.713 14.734 1.00 0.00 C ATOM 1271 OE1 GLN A 76 0.325 -2.759 13.523 1.00 0.00 O ATOM 1272 NE2 GLN A 76 -0.606 -1.921 15.310 1.00 0.00 N ATOM 0 H GLN A 76 0.422 -7.452 13.701 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.466 -5.568 15.822 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.138 -5.511 15.468 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.770 -4.794 13.912 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.741 -3.716 16.588 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.136 -3.078 15.741 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -0.663 -1.883 16.328 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -1.224 -1.341 14.742 1.00 0.00 H new ATOM 1281 N LEU A 77 -1.984 -4.703 14.051 1.00 0.00 N ATOM 1282 CA LEU A 77 -2.896 -4.175 12.990 1.00 0.00 C ATOM 1283 C LEU A 77 -2.325 -2.877 12.409 1.00 0.00 C ATOM 1284 O LEU A 77 -1.949 -1.975 13.131 1.00 0.00 O ATOM 1285 CB LEU A 77 -4.270 -3.896 13.612 1.00 0.00 C ATOM 1286 CG LEU A 77 -5.222 -3.297 12.564 1.00 0.00 C ATOM 1287 CD1 LEU A 77 -5.368 -4.252 11.367 1.00 0.00 C ATOM 1288 CD2 LEU A 77 -6.591 -3.062 13.212 1.00 0.00 C ATOM 0 H LEU A 77 -2.352 -4.652 15.001 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.990 -4.910 12.190 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.691 -4.820 14.009 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.163 -3.208 14.451 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.815 -2.352 12.204 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.045 -3.815 10.633 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.392 -4.414 10.909 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.771 -5.205 11.709 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.274 -2.637 12.476 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.990 -4.010 13.573 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.484 -2.372 14.049 1.00 0.00 H new ATOM 1300 N ILE A 78 -2.266 -2.776 11.102 1.00 0.00 N ATOM 1301 CA ILE A 78 -1.728 -1.536 10.454 1.00 0.00 C ATOM 1302 C ILE A 78 -2.878 -0.699 9.890 1.00 0.00 C ATOM 1303 O ILE A 78 -3.032 0.458 10.216 1.00 0.00 O ATOM 1304 CB ILE A 78 -0.799 -1.939 9.307 1.00 0.00 C ATOM 1305 CG1 ILE A 78 0.403 -2.742 9.857 1.00 0.00 C ATOM 1306 CG2 ILE A 78 -0.317 -0.685 8.566 1.00 0.00 C ATOM 1307 CD1 ILE A 78 1.512 -1.808 10.366 1.00 0.00 C ATOM 0 H ILE A 78 -2.569 -3.502 10.453 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.185 -0.949 11.195 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.344 -2.571 8.606 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.070 -3.390 10.668 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.800 -3.389 9.074 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.344 -0.976 7.750 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.176 -0.148 8.163 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.223 -0.039 9.258 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.343 -2.403 10.746 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.861 -1.178 9.548 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.120 -1.180 11.166 1.00 0.00 H new ATOM 1319 N ALA A 79 -3.677 -1.267 9.030 1.00 0.00 N ATOM 1320 CA ALA A 79 -4.798 -0.487 8.438 1.00 0.00 C ATOM 1321 C ALA A 79 -5.877 -1.435 7.929 1.00 0.00 C ATOM 1322 O ALA A 79 -5.635 -2.605 7.715 1.00 0.00 O ATOM 1323 CB ALA A 79 -4.271 0.339 7.262 1.00 0.00 C ATOM 0 H ALA A 79 -3.602 -2.234 8.713 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.219 0.169 9.200 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.088 0.912 6.825 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.497 1.021 7.614 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.852 -0.327 6.508 1.00 0.00 H new ATOM 1329 N ILE A 80 -7.064 -0.927 7.720 1.00 0.00 N ATOM 1330 CA ILE A 80 -8.181 -1.773 7.203 1.00 0.00 C ATOM 1331 C ILE A 80 -8.702 -1.144 5.915 1.00 0.00 C ATOM 1332 O ILE A 80 -8.988 0.036 5.871 1.00 0.00 O ATOM 1333 CB ILE A 80 -9.304 -1.819 8.242 1.00 0.00 C ATOM 1334 CG1 ILE A 80 -8.761 -2.466 9.523 1.00 0.00 C ATOM 1335 CG2 ILE A 80 -10.490 -2.633 7.690 1.00 0.00 C ATOM 1336 CD1 ILE A 80 -9.786 -2.339 10.652 1.00 0.00 C ATOM 0 H ILE A 80 -7.310 0.049 7.887 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.831 -2.787 7.010 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.652 -0.810 8.464 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.537 -3.517 9.342 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.827 -1.986 9.814 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.287 -2.663 8.433 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -10.861 -2.164 6.779 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.162 -3.649 7.468 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.390 -2.801 11.556 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.989 -1.285 10.842 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.710 -2.840 10.363 1.00 0.00 H new ATOM 1348 N GLY A 81 -8.821 -1.915 4.862 1.00 0.00 N ATOM 1349 CA GLY A 81 -9.317 -1.360 3.563 1.00 0.00 C ATOM 1350 C GLY A 81 -10.415 -2.261 3.013 1.00 0.00 C ATOM 1351 O GLY A 81 -10.160 -3.352 2.533 1.00 0.00 O ATOM 0 H GLY A 81 -8.595 -2.910 4.846 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.700 -0.350 3.709 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.497 -1.290 2.848 1.00 0.00 H new ATOM 1355 N PHE A 82 -11.642 -1.815 3.090 1.00 0.00 N ATOM 1356 CA PHE A 82 -12.781 -2.629 2.576 1.00 0.00 C ATOM 1357 C PHE A 82 -13.237 -2.028 1.251 1.00 0.00 C ATOM 1358 O PHE A 82 -13.509 -0.849 1.160 1.00 0.00 O ATOM 1359 CB PHE A 82 -13.935 -2.606 3.597 1.00 0.00 C ATOM 1360 CG PHE A 82 -13.777 -3.727 4.607 1.00 0.00 C ATOM 1361 CD1 PHE A 82 -12.521 -4.015 5.158 1.00 0.00 C ATOM 1362 CD2 PHE A 82 -14.890 -4.488 4.978 1.00 0.00 C ATOM 1363 CE1 PHE A 82 -12.383 -5.061 6.075 1.00 0.00 C ATOM 1364 CE2 PHE A 82 -14.749 -5.537 5.892 1.00 0.00 C ATOM 1365 CZ PHE A 82 -13.495 -5.824 6.441 1.00 0.00 C ATOM 0 H PHE A 82 -11.905 -0.914 3.490 1.00 0.00 H new ATOM 0 HA PHE A 82 -12.473 -3.664 2.426 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -13.953 -1.645 4.112 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -14.888 -2.708 3.079 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -11.660 -3.429 4.874 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -15.860 -4.265 4.558 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.415 -5.280 6.501 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -15.609 -6.126 6.174 1.00 0.00 H new ATOM 0 HZ PHE A 82 -13.386 -6.634 7.147 1.00 0.00 H new ATOM 1375 N ILE A 83 -13.309 -2.827 0.221 1.00 0.00 N ATOM 1376 CA ILE A 83 -13.732 -2.302 -1.111 1.00 0.00 C ATOM 1377 C ILE A 83 -15.189 -2.675 -1.371 1.00 0.00 C ATOM 1378 O ILE A 83 -15.558 -3.831 -1.368 1.00 0.00 O ATOM 1379 CB ILE A 83 -12.845 -2.917 -2.189 1.00 0.00 C ATOM 1380 CG1 ILE A 83 -11.381 -2.592 -1.882 1.00 0.00 C ATOM 1381 CG2 ILE A 83 -13.228 -2.335 -3.546 1.00 0.00 C ATOM 1382 CD1 ILE A 83 -10.469 -3.338 -2.858 1.00 0.00 C ATOM 0 H ILE A 83 -13.093 -3.824 0.244 1.00 0.00 H new ATOM 0 HA ILE A 83 -13.634 -1.217 -1.128 1.00 0.00 H new ATOM 0 HB ILE A 83 -12.979 -3.999 -2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -11.213 -1.518 -1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -11.143 -2.877 -0.857 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -12.597 -2.771 -4.320 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -14.273 -2.563 -3.758 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -13.089 -1.254 -3.531 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -9.428 -3.103 -2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -10.629 -4.412 -2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -10.700 -3.031 -3.878 1.00 0.00 H new ATOM 1394 N ASP A 84 -16.022 -1.694 -1.591 1.00 0.00 N ATOM 1395 CA ASP A 84 -17.465 -1.967 -1.848 1.00 0.00 C ATOM 1396 C ASP A 84 -17.725 -2.071 -3.357 1.00 0.00 C ATOM 1397 O ASP A 84 -16.842 -1.873 -4.174 1.00 0.00 O ATOM 1398 CB ASP A 84 -18.294 -0.820 -1.266 1.00 0.00 C ATOM 1399 CG ASP A 84 -18.330 -0.934 0.262 1.00 0.00 C ATOM 1400 OD1 ASP A 84 -17.985 -1.988 0.769 1.00 0.00 O ATOM 1401 OD2 ASP A 84 -18.704 0.037 0.897 1.00 0.00 O ATOM 0 H ASP A 84 -15.762 -0.708 -1.604 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.745 -2.910 -1.379 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -17.864 0.138 -1.559 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -19.307 -0.851 -1.667 1.00 0.00 H new ATOM 1406 N GLU A 85 -18.938 -2.386 -3.723 1.00 0.00 N ATOM 1407 CA GLU A 85 -19.296 -2.515 -5.159 1.00 0.00 C ATOM 1408 C GLU A 85 -18.664 -1.385 -5.970 1.00 0.00 C ATOM 1409 O GLU A 85 -18.249 -0.375 -5.440 1.00 0.00 O ATOM 1410 CB GLU A 85 -20.819 -2.461 -5.295 1.00 0.00 C ATOM 1411 CG GLU A 85 -21.217 -2.723 -6.749 1.00 0.00 C ATOM 1412 CD GLU A 85 -22.733 -2.893 -6.846 1.00 0.00 C ATOM 1413 OE1 GLU A 85 -23.354 -3.080 -5.813 1.00 0.00 O ATOM 1414 OE2 GLU A 85 -23.245 -2.834 -7.951 1.00 0.00 O ATOM 0 H GLU A 85 -19.706 -2.562 -3.075 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.921 -3.464 -5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -21.278 -3.204 -4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -21.188 -1.486 -4.977 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -20.893 -1.895 -7.380 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -20.717 -3.619 -7.117 1.00 0.00 H new ATOM 1421 N ASN A 86 -18.590 -1.575 -7.253 1.00 0.00 N ATOM 1422 CA ASN A 86 -17.991 -0.557 -8.157 1.00 0.00 C ATOM 1423 C ASN A 86 -16.526 -0.347 -7.775 1.00 0.00 C ATOM 1424 O ASN A 86 -15.908 0.612 -8.181 1.00 0.00 O ATOM 1425 CB ASN A 86 -18.761 0.765 -8.054 1.00 0.00 C ATOM 1426 CG ASN A 86 -20.254 0.503 -8.271 1.00 0.00 C ATOM 1427 OD1 ASN A 86 -20.629 -0.346 -9.189 1.00 0.00 O flip ATOM 1428 ND2 ASN A 86 -21.087 1.076 -7.598 1.00 0.00 N flip ATOM 0 H ASN A 86 -18.928 -2.413 -7.726 1.00 0.00 H new ATOM 0 HA ASN A 86 -18.051 -0.908 -9.187 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -18.599 1.218 -7.076 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -18.393 1.472 -8.798 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -20.795 1.739 -6.881 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -22.079 0.894 -7.750 1.00 0.00 H new ATOM 1435 N HIS A 87 -15.971 -1.245 -6.996 1.00 0.00 N ATOM 1436 CA HIS A 87 -14.542 -1.117 -6.586 1.00 0.00 C ATOM 1437 C HIS A 87 -14.376 0.128 -5.713 1.00 0.00 C ATOM 1438 O HIS A 87 -13.280 0.593 -5.478 1.00 0.00 O ATOM 1439 CB HIS A 87 -13.642 -1.013 -7.828 1.00 0.00 C ATOM 1440 CG HIS A 87 -12.211 -1.267 -7.439 1.00 0.00 C ATOM 1441 ND1 HIS A 87 -11.760 -2.517 -7.049 1.00 0.00 N ATOM 1442 CD2 HIS A 87 -11.119 -0.437 -7.379 1.00 0.00 C ATOM 1443 CE1 HIS A 87 -10.448 -2.406 -6.774 1.00 0.00 C ATOM 1444 NE2 HIS A 87 -10.005 -1.160 -6.958 1.00 0.00 N ATOM 0 H HIS A 87 -16.452 -2.065 -6.626 1.00 0.00 H new ATOM 0 HA HIS A 87 -14.249 -2.000 -6.018 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -13.958 -1.736 -8.580 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -13.737 -0.024 -8.276 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -11.123 0.615 -7.621 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -9.828 -3.226 -6.444 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -9.056 -0.813 -6.820 1.00 0.00 H new ATOM 1452 N ASP A 88 -15.461 0.665 -5.226 1.00 0.00 N ATOM 1453 CA ASP A 88 -15.375 1.877 -4.366 1.00 0.00 C ATOM 1454 C ASP A 88 -14.533 1.566 -3.128 1.00 0.00 C ATOM 1455 O ASP A 88 -14.893 0.749 -2.305 1.00 0.00 O ATOM 1456 CB ASP A 88 -16.788 2.286 -3.943 1.00 0.00 C ATOM 1457 CG ASP A 88 -16.726 3.553 -3.088 1.00 0.00 C ATOM 1458 OD1 ASP A 88 -15.629 3.963 -2.749 1.00 0.00 O ATOM 1459 OD2 ASP A 88 -17.779 4.090 -2.787 1.00 0.00 O ATOM 0 H ASP A 88 -16.405 0.315 -5.388 1.00 0.00 H new ATOM 0 HA ASP A 88 -14.907 2.692 -4.918 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -17.405 2.461 -4.824 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -17.257 1.479 -3.380 1.00 0.00 H new ATOM 1464 N MET A 89 -13.406 2.211 -2.992 1.00 0.00 N ATOM 1465 CA MET A 89 -12.532 1.949 -1.815 1.00 0.00 C ATOM 1466 C MET A 89 -13.059 2.704 -0.597 1.00 0.00 C ATOM 1467 O MET A 89 -13.455 3.847 -0.686 1.00 0.00 O ATOM 1468 CB MET A 89 -11.114 2.425 -2.126 1.00 0.00 C ATOM 1469 CG MET A 89 -10.523 1.552 -3.233 1.00 0.00 C ATOM 1470 SD MET A 89 -8.826 2.079 -3.580 1.00 0.00 S ATOM 1471 CE MET A 89 -8.008 1.056 -2.330 1.00 0.00 C ATOM 0 H MET A 89 -13.053 2.909 -3.647 1.00 0.00 H new ATOM 0 HA MET A 89 -12.528 0.880 -1.601 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.128 3.469 -2.438 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.494 2.368 -1.231 1.00 0.00 H new ATOM 0 HG2 MET A 89 -10.535 0.505 -2.930 1.00 0.00 H new ATOM 0 HG3 MET A 89 -11.130 1.630 -4.135 1.00 0.00 H new ATOM 0 HE1 MET A 89 -7.142 1.587 -1.936 1.00 0.00 H new ATOM 0 HE2 MET A 89 -8.705 0.846 -1.519 1.00 0.00 H new ATOM 0 HE3 MET A 89 -7.684 0.119 -2.782 1.00 0.00 H new ATOM 1481 N ASP A 90 -13.059 2.067 0.543 1.00 0.00 N ATOM 1482 CA ASP A 90 -13.548 2.730 1.787 1.00 0.00 C ATOM 1483 C ASP A 90 -12.620 2.357 2.941 1.00 0.00 C ATOM 1484 O ASP A 90 -12.627 1.239 3.416 1.00 0.00 O ATOM 1485 CB ASP A 90 -14.969 2.248 2.090 1.00 0.00 C ATOM 1486 CG ASP A 90 -15.570 3.105 3.204 1.00 0.00 C ATOM 1487 OD1 ASP A 90 -15.010 4.150 3.487 1.00 0.00 O ATOM 1488 OD2 ASP A 90 -16.583 2.703 3.751 1.00 0.00 O ATOM 0 H ASP A 90 -12.738 1.107 0.667 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.556 3.812 1.658 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -15.586 2.313 1.194 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -14.953 1.200 2.391 1.00 0.00 H new ATOM 1493 N PHE A 91 -11.813 3.282 3.389 1.00 0.00 N ATOM 1494 CA PHE A 91 -10.872 2.984 4.510 1.00 0.00 C ATOM 1495 C PHE A 91 -11.467 3.515 5.813 1.00 0.00 C ATOM 1496 O PHE A 91 -11.647 4.704 5.986 1.00 0.00 O ATOM 1497 CB PHE A 91 -9.538 3.677 4.228 1.00 0.00 C ATOM 1498 CG PHE A 91 -8.822 2.936 3.125 1.00 0.00 C ATOM 1499 CD1 PHE A 91 -7.999 1.851 3.436 1.00 0.00 C ATOM 1500 CD2 PHE A 91 -8.990 3.328 1.790 1.00 0.00 C ATOM 1501 CE1 PHE A 91 -7.341 1.156 2.416 1.00 0.00 C ATOM 1502 CE2 PHE A 91 -8.333 2.632 0.769 1.00 0.00 C ATOM 1503 CZ PHE A 91 -7.509 1.545 1.082 1.00 0.00 C ATOM 0 H PHE A 91 -11.764 4.234 3.026 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.714 1.909 4.598 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.707 4.714 3.937 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.925 3.695 5.129 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.871 1.549 4.465 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.626 4.167 1.549 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.703 0.319 2.658 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.462 2.934 -0.260 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.003 1.006 0.294 1.00 0.00 H new ATOM 1513 N LEU A 92 -11.787 2.638 6.729 1.00 0.00 N ATOM 1514 CA LEU A 92 -12.387 3.081 8.021 1.00 0.00 C ATOM 1515 C LEU A 92 -11.303 3.139 9.092 1.00 0.00 C ATOM 1516 O LEU A 92 -11.499 3.691 10.155 1.00 0.00 O ATOM 1517 CB LEU A 92 -13.464 2.081 8.441 1.00 0.00 C ATOM 1518 CG LEU A 92 -14.626 2.115 7.432 1.00 0.00 C ATOM 1519 CD1 LEU A 92 -14.206 1.478 6.090 1.00 0.00 C ATOM 1520 CD2 LEU A 92 -15.813 1.347 8.016 1.00 0.00 C ATOM 0 H LEU A 92 -11.658 1.630 6.637 1.00 0.00 H new ATOM 0 HA LEU A 92 -12.829 4.070 7.901 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -13.042 1.077 8.491 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.829 2.323 9.439 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.904 3.152 7.246 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -15.043 1.513 5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -13.363 2.030 5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -13.915 0.441 6.255 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -16.642 1.365 7.308 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -15.520 0.314 8.206 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -16.124 1.813 8.951 1.00 0.00 H new ATOM 1532 N TYR A 93 -10.154 2.580 8.828 1.00 0.00 N ATOM 1533 CA TYR A 93 -9.063 2.620 9.843 1.00 0.00 C ATOM 1534 C TYR A 93 -7.714 2.663 9.138 1.00 0.00 C ATOM 1535 O TYR A 93 -7.400 1.815 8.330 1.00 0.00 O ATOM 1536 CB TYR A 93 -9.127 1.369 10.724 1.00 0.00 C ATOM 1537 CG TYR A 93 -8.253 1.570 11.939 1.00 0.00 C ATOM 1538 CD1 TYR A 93 -8.692 2.397 12.981 1.00 0.00 C ATOM 1539 CD2 TYR A 93 -7.006 0.939 12.027 1.00 0.00 C ATOM 1540 CE1 TYR A 93 -7.887 2.592 14.108 1.00 0.00 C ATOM 1541 CE2 TYR A 93 -6.200 1.134 13.156 1.00 0.00 C ATOM 1542 CZ TYR A 93 -6.641 1.960 14.197 1.00 0.00 C ATOM 1543 OH TYR A 93 -5.847 2.154 15.310 1.00 0.00 O ATOM 0 H TYR A 93 -9.924 2.100 7.958 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.185 3.508 10.462 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.156 1.177 11.029 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.793 0.497 10.162 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -9.653 2.885 12.914 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.666 0.302 11.224 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -8.227 3.230 14.910 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.238 0.647 13.223 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.017 1.643 15.213 1.00 0.00 H new ATOM 1553 N LEU A 94 -6.909 3.641 9.450 1.00 0.00 N ATOM 1554 CA LEU A 94 -5.561 3.748 8.822 1.00 0.00 C ATOM 1555 C LEU A 94 -4.553 4.103 9.905 1.00 0.00 C ATOM 1556 O LEU A 94 -4.470 5.234 10.332 1.00 0.00 O ATOM 1557 CB LEU A 94 -5.585 4.841 7.746 1.00 0.00 C ATOM 1558 CG LEU A 94 -4.169 5.084 7.197 1.00 0.00 C ATOM 1559 CD1 LEU A 94 -3.561 3.768 6.691 1.00 0.00 C ATOM 1560 CD2 LEU A 94 -4.248 6.091 6.044 1.00 0.00 C ATOM 0 H LEU A 94 -7.130 4.378 10.120 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.283 2.803 8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.251 4.547 6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.983 5.765 8.166 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.536 5.477 7.993 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.559 3.955 6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.506 3.053 7.512 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.186 3.361 5.896 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.248 6.270 5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.885 5.691 5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.667 7.029 6.408 1.00 0.00 H new ATOM 1572 N HIS A 95 -3.782 3.139 10.350 1.00 0.00 N ATOM 1573 CA HIS A 95 -2.764 3.406 11.411 1.00 0.00 C ATOM 1574 C HIS A 95 -1.376 3.067 10.873 1.00 0.00 C ATOM 1575 O HIS A 95 -1.070 1.929 10.583 1.00 0.00 O ATOM 1576 CB HIS A 95 -3.063 2.550 12.641 1.00 0.00 C ATOM 1577 CG HIS A 95 -2.173 2.987 13.770 1.00 0.00 C ATOM 1578 ND1 HIS A 95 -0.805 2.764 13.759 1.00 0.00 N ATOM 1579 CD2 HIS A 95 -2.439 3.636 14.950 1.00 0.00 C ATOM 1580 CE1 HIS A 95 -0.303 3.270 14.900 1.00 0.00 C ATOM 1581 NE2 HIS A 95 -1.256 3.813 15.663 1.00 0.00 N ATOM 0 H HIS A 95 -3.816 2.174 10.021 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.799 4.458 11.693 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.110 2.653 12.926 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.896 1.497 12.416 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -0.275 2.301 13.020 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.416 3.960 15.276 1.00 0.00 H new ATOM 0 HE1 HIS A 95 0.743 3.241 15.167 1.00 0.00 H new ATOM 1589 N ASN A 96 -0.534 4.052 10.738 1.00 0.00 N ATOM 1590 CA ASN A 96 0.834 3.801 10.216 1.00 0.00 C ATOM 1591 C ASN A 96 1.712 3.230 11.332 1.00 0.00 C ATOM 1592 O ASN A 96 1.311 3.149 12.475 1.00 0.00 O ATOM 1593 CB ASN A 96 1.428 5.120 9.722 1.00 0.00 C ATOM 1594 CG ASN A 96 0.749 5.528 8.413 1.00 0.00 C ATOM 1595 OD1 ASN A 96 0.143 4.712 7.749 1.00 0.00 O ATOM 1596 ND2 ASN A 96 0.825 6.768 8.012 1.00 0.00 N ATOM 0 H ASN A 96 -0.737 5.025 10.968 1.00 0.00 H new ATOM 0 HA ASN A 96 0.789 3.086 9.394 1.00 0.00 H new ATOM 0 HB2 ASN A 96 1.289 5.897 10.473 1.00 0.00 H new ATOM 0 HB3 ASN A 96 2.502 5.013 9.569 1.00 0.00 H new ATOM 0 HD21 ASN A 96 0.375 7.051 7.141 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.334 7.454 8.569 1.00 0.00 H new ATOM 1603 N THR A 97 2.907 2.837 11.003 1.00 0.00 N ATOM 1604 CA THR A 97 3.820 2.272 12.032 1.00 0.00 C ATOM 1605 C THR A 97 4.098 3.329 13.106 1.00 0.00 C ATOM 1606 O THR A 97 4.103 3.041 14.285 1.00 0.00 O ATOM 1607 CB THR A 97 5.129 1.866 11.357 1.00 0.00 C ATOM 1608 OG1 THR A 97 4.837 1.142 10.171 1.00 0.00 O ATOM 1609 CG2 THR A 97 5.946 0.984 12.299 1.00 0.00 C ATOM 0 H THR A 97 3.294 2.883 10.060 1.00 0.00 H new ATOM 0 HA THR A 97 3.361 1.402 12.501 1.00 0.00 H new ATOM 0 HB THR A 97 5.703 2.760 11.114 1.00 0.00 H new ATOM 0 HG1 THR A 97 5.674 0.881 9.733 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.878 0.698 11.812 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.168 1.535 13.213 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.375 0.089 12.545 1.00 0.00 H new ATOM 1617 N VAL A 98 4.342 4.549 12.710 1.00 0.00 N ATOM 1618 CA VAL A 98 4.628 5.615 13.715 1.00 0.00 C ATOM 1619 C VAL A 98 3.324 6.059 14.381 1.00 0.00 C ATOM 1620 O VAL A 98 2.917 5.510 15.384 1.00 0.00 O ATOM 1621 CB VAL A 98 5.285 6.820 13.013 1.00 0.00 C ATOM 1622 CG1 VAL A 98 6.807 6.636 12.973 1.00 0.00 C ATOM 1623 CG2 VAL A 98 4.745 6.935 11.579 1.00 0.00 C ATOM 0 H VAL A 98 4.356 4.854 11.737 1.00 0.00 H new ATOM 0 HA VAL A 98 5.305 5.223 14.474 1.00 0.00 H new ATOM 0 HB VAL A 98 5.049 7.729 13.567 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.264 7.491 12.475 1.00 0.00 H new ATOM 0 HG12 VAL A 98 7.191 6.560 13.990 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.049 5.726 12.425 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.209 7.787 11.083 1.00 0.00 H new ATOM 0 HG22 VAL A 98 4.977 6.023 11.029 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.665 7.076 11.607 1.00 0.00 H new ATOM 1633 N MET A 99 2.677 7.063 13.835 1.00 0.00 N ATOM 1634 CA MET A 99 1.401 7.570 14.431 1.00 0.00 C ATOM 1635 C MET A 99 0.281 7.500 13.381 1.00 0.00 C ATOM 1636 O MET A 99 0.534 7.588 12.195 1.00 0.00 O ATOM 1637 CB MET A 99 1.595 9.027 14.873 1.00 0.00 C ATOM 1638 CG MET A 99 2.462 9.772 13.858 1.00 0.00 C ATOM 1639 SD MET A 99 2.379 11.547 14.205 1.00 0.00 S ATOM 1640 CE MET A 99 3.520 12.096 12.914 1.00 0.00 C ATOM 0 H MET A 99 2.982 7.556 12.996 1.00 0.00 H new ATOM 0 HA MET A 99 1.130 6.958 15.291 1.00 0.00 H new ATOM 0 HB2 MET A 99 0.627 9.519 14.967 1.00 0.00 H new ATOM 0 HB3 MET A 99 2.065 9.058 15.856 1.00 0.00 H new ATOM 0 HG2 MET A 99 3.493 9.424 13.917 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.114 9.569 12.845 1.00 0.00 H new ATOM 0 HE1 MET A 99 3.616 13.181 12.951 1.00 0.00 H new ATOM 0 HE2 MET A 99 4.497 11.640 13.074 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.136 11.798 11.938 1.00 0.00 H new ATOM 1650 N PRO A 100 -0.948 7.347 13.811 1.00 0.00 N ATOM 1651 CA PRO A 100 -2.113 7.274 12.885 1.00 0.00 C ATOM 1652 C PRO A 100 -2.397 8.617 12.209 1.00 0.00 C ATOM 1653 O PRO A 100 -2.098 9.667 12.738 1.00 0.00 O ATOM 1654 CB PRO A 100 -3.280 6.848 13.793 1.00 0.00 C ATOM 1655 CG PRO A 100 -2.893 7.311 15.161 1.00 0.00 C ATOM 1656 CD PRO A 100 -1.366 7.224 15.221 1.00 0.00 C ATOM 0 HA PRO A 100 -1.940 6.580 12.063 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.217 7.304 13.472 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.426 5.768 13.768 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.233 8.332 15.338 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.350 6.686 15.928 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.944 8.021 15.834 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.036 6.280 15.655 1.00 0.00 H new ATOM 1664 N LEU A 101 -2.977 8.580 11.038 1.00 0.00 N ATOM 1665 CA LEU A 101 -3.299 9.838 10.306 1.00 0.00 C ATOM 1666 C LEU A 101 -4.803 10.087 10.392 1.00 0.00 C ATOM 1667 O LEU A 101 -5.263 11.203 10.278 1.00 0.00 O ATOM 1668 CB LEU A 101 -2.901 9.675 8.838 1.00 0.00 C ATOM 1669 CG LEU A 101 -1.454 9.179 8.747 1.00 0.00 C ATOM 1670 CD1 LEU A 101 -1.077 8.984 7.275 1.00 0.00 C ATOM 1671 CD2 LEU A 101 -0.509 10.201 9.394 1.00 0.00 C ATOM 0 H LEU A 101 -3.243 7.723 10.554 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.757 10.676 10.745 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -3.569 8.968 8.346 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.003 10.626 8.316 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.363 8.230 9.275 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.048 8.631 7.207 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.743 8.249 6.823 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.171 9.933 6.747 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.518 9.841 9.325 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.595 11.155 8.875 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.778 10.333 10.442 1.00 0.00 H new ATOM 1683 N LEU A 102 -5.576 9.051 10.583 1.00 0.00 N ATOM 1684 CA LEU A 102 -7.051 9.237 10.662 1.00 0.00 C ATOM 1685 C LEU A 102 -7.729 7.929 11.082 1.00 0.00 C ATOM 1686 O LEU A 102 -7.357 6.859 10.646 1.00 0.00 O ATOM 1687 CB LEU A 102 -7.576 9.663 9.284 1.00 0.00 C ATOM 1688 CG LEU A 102 -7.157 8.626 8.200 1.00 0.00 C ATOM 1689 CD1 LEU A 102 -8.342 7.719 7.835 1.00 0.00 C ATOM 1690 CD2 LEU A 102 -6.681 9.351 6.933 1.00 0.00 C ATOM 0 H LEU A 102 -5.251 8.090 10.687 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.277 10.004 11.403 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.662 9.750 9.312 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.184 10.647 9.026 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.348 8.019 8.606 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.030 7.001 7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.679 7.185 8.724 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.159 8.327 7.446 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.390 8.617 6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.489 9.970 6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.825 9.982 7.174 1.00 0.00 H new ATOM 1702 N ASP A 103 -8.732 8.013 11.910 1.00 0.00 N ATOM 1703 CA ASP A 103 -9.454 6.785 12.344 1.00 0.00 C ATOM 1704 C ASP A 103 -10.738 7.197 13.063 1.00 0.00 C ATOM 1705 O ASP A 103 -10.701 7.919 14.038 1.00 0.00 O ATOM 1706 CB ASP A 103 -8.566 5.957 13.281 1.00 0.00 C ATOM 1707 CG ASP A 103 -8.093 6.821 14.452 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -8.382 8.006 14.447 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -7.443 6.282 15.334 1.00 0.00 O ATOM 0 H ASP A 103 -9.085 8.884 12.307 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.700 6.175 11.475 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.120 5.096 13.654 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -7.707 5.570 12.733 1.00 0.00 H new ATOM 1714 N GLN A 104 -11.879 6.760 12.583 1.00 0.00 N ATOM 1715 CA GLN A 104 -13.169 7.148 13.237 1.00 0.00 C ATOM 1716 C GLN A 104 -13.715 5.975 14.055 1.00 0.00 C ATOM 1717 O GLN A 104 -14.108 4.950 13.527 1.00 0.00 O ATOM 1718 CB GLN A 104 -14.177 7.529 12.152 1.00 0.00 C ATOM 1719 CG GLN A 104 -13.661 8.744 11.371 1.00 0.00 C ATOM 1720 CD GLN A 104 -13.543 9.951 12.306 1.00 0.00 C ATOM 1721 OE1 GLN A 104 -14.453 10.247 13.052 1.00 0.00 O ATOM 1722 NE2 GLN A 104 -12.449 10.663 12.299 1.00 0.00 N ATOM 0 H GLN A 104 -11.972 6.153 11.769 1.00 0.00 H new ATOM 0 HA GLN A 104 -13.001 7.994 13.904 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -14.332 6.689 11.475 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -15.143 7.758 12.603 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -12.690 8.518 10.930 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -14.339 8.974 10.549 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -11.683 10.415 11.672 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -12.360 11.467 12.920 1.00 0.00 H new ATOM 1731 N ARG A 105 -13.746 6.139 15.345 1.00 0.00 N ATOM 1732 CA ARG A 105 -14.261 5.072 16.244 1.00 0.00 C ATOM 1733 C ARG A 105 -15.787 4.995 16.147 1.00 0.00 C ATOM 1734 O ARG A 105 -16.369 3.929 16.180 1.00 0.00 O ATOM 1735 CB ARG A 105 -13.852 5.418 17.677 1.00 0.00 C ATOM 1736 CG ARG A 105 -12.320 5.487 17.792 1.00 0.00 C ATOM 1737 CD ARG A 105 -11.724 4.078 17.870 1.00 0.00 C ATOM 1738 NE ARG A 105 -10.258 4.172 18.145 1.00 0.00 N ATOM 1739 CZ ARG A 105 -9.443 3.237 17.729 1.00 0.00 C ATOM 1740 NH1 ARG A 105 -9.901 2.218 17.050 1.00 0.00 N ATOM 1741 NH2 ARG A 105 -8.169 3.319 17.994 1.00 0.00 N ATOM 0 H ARG A 105 -13.430 6.983 15.823 1.00 0.00 H new ATOM 0 HA ARG A 105 -13.847 4.106 15.953 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -14.289 6.374 17.967 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -14.242 4.668 18.365 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.908 6.015 16.932 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -12.041 6.056 18.679 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.217 3.506 18.657 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -11.896 3.546 16.934 1.00 0.00 H new ATOM 0 HE ARG A 105 -9.890 4.971 18.661 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -10.897 2.150 16.843 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -9.262 1.491 16.728 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -7.809 4.112 18.525 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -7.533 2.590 17.670 1.00 0.00 H new ATOM 1755 N TYR A 106 -16.437 6.119 16.044 1.00 0.00 N ATOM 1756 CA TYR A 106 -17.922 6.119 15.963 1.00 0.00 C ATOM 1757 C TYR A 106 -18.357 5.310 14.740 1.00 0.00 C ATOM 1758 O TYR A 106 -19.269 4.512 14.792 1.00 0.00 O ATOM 1759 CB TYR A 106 -18.422 7.574 15.845 1.00 0.00 C ATOM 1760 CG TYR A 106 -18.428 8.018 14.393 1.00 0.00 C ATOM 1761 CD1 TYR A 106 -19.532 7.719 13.584 1.00 0.00 C ATOM 1762 CD2 TYR A 106 -17.336 8.709 13.858 1.00 0.00 C ATOM 1763 CE1 TYR A 106 -19.545 8.111 12.241 1.00 0.00 C ATOM 1764 CE2 TYR A 106 -17.349 9.100 12.512 1.00 0.00 C ATOM 1765 CZ TYR A 106 -18.453 8.802 11.706 1.00 0.00 C ATOM 1766 OH TYR A 106 -18.464 9.188 10.380 1.00 0.00 O ATOM 0 H TYR A 106 -16.002 7.041 16.012 1.00 0.00 H new ATOM 0 HA TYR A 106 -18.347 5.667 16.859 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.427 7.654 16.260 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -17.781 8.234 16.430 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.375 7.185 13.998 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -16.485 8.941 14.481 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -20.397 7.880 11.618 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -16.506 9.632 12.097 1.00 0.00 H new ATOM 0 HH TYR A 106 -17.630 9.658 10.169 1.00 0.00 H new ATOM 1776 N LEU A 107 -17.707 5.535 13.636 1.00 0.00 N ATOM 1777 CA LEU A 107 -18.069 4.810 12.395 1.00 0.00 C ATOM 1778 C LEU A 107 -17.848 3.313 12.592 1.00 0.00 C ATOM 1779 O LEU A 107 -18.650 2.500 12.181 1.00 0.00 O ATOM 1780 CB LEU A 107 -17.192 5.319 11.247 1.00 0.00 C ATOM 1781 CG LEU A 107 -17.509 4.554 9.952 1.00 0.00 C ATOM 1782 CD1 LEU A 107 -19.000 4.689 9.602 1.00 0.00 C ATOM 1783 CD2 LEU A 107 -16.654 5.123 8.814 1.00 0.00 C ATOM 0 H LEU A 107 -16.935 6.195 13.541 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.119 4.984 12.158 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -17.360 6.386 11.098 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -16.140 5.195 11.502 1.00 0.00 H new ATOM 0 HG LEU A 107 -17.282 3.497 10.093 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -19.209 4.142 8.683 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -19.603 4.280 10.413 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -19.247 5.741 9.462 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -16.873 4.586 7.891 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -16.882 6.181 8.681 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -15.598 5.008 9.059 1.00 0.00 H new ATOM 1795 N LEU A 108 -16.763 2.938 13.208 1.00 0.00 N ATOM 1796 CA LEU A 108 -16.496 1.488 13.417 1.00 0.00 C ATOM 1797 C LEU A 108 -17.287 0.981 14.622 1.00 0.00 C ATOM 1798 O LEU A 108 -17.351 -0.205 14.875 1.00 0.00 O ATOM 1799 CB LEU A 108 -15.002 1.287 13.660 1.00 0.00 C ATOM 1800 CG LEU A 108 -14.220 1.551 12.361 1.00 0.00 C ATOM 1801 CD1 LEU A 108 -12.722 1.621 12.677 1.00 0.00 C ATOM 1802 CD2 LEU A 108 -14.485 0.427 11.333 1.00 0.00 C ATOM 0 H LEU A 108 -16.051 3.570 13.575 1.00 0.00 H new ATOM 0 HA LEU A 108 -16.804 0.929 12.533 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.658 1.961 14.445 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -14.815 0.271 14.007 1.00 0.00 H new ATOM 0 HG LEU A 108 -14.551 2.498 11.933 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.165 1.808 11.759 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.537 2.429 13.385 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.397 0.676 13.112 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -13.925 0.629 10.420 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -14.168 -0.529 11.749 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -15.550 0.387 11.104 1.00 0.00 H new