USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 597 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 109 LYS NZ :NH3+ -173:sc= 1.25 (180deg=0) USER MOD Set 1.2: A 127 GLN : amide:sc= 2.96 K(o=4.2,f=-10!) USER MOD Set 2.1: A 77 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 115 ASN : amide:sc= 0.119 X(o=0.12,f=0) USER MOD Set 3.1: A 55 SER OG : rot 177:sc= 0.0508 USER MOD Set 3.2: A 57 THR OG1 : rot -47:sc= 0.0143 USER MOD Single : A 56 ASN : amide:sc= -0.476 X(o=-0.48,f=-0.3) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.143 K(o=-0.14,f=-2.4!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 71 ASN : amide:sc= -0.72 K(o=-0.72,f=-2!) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -5.02! C(o=-5.8!,f=-5!) USER MOD Single : A 81 CYS SG : rot 130:sc= -0.326 USER MOD Single : A 83 MET CE :methyl 152:sc= -0.212 (180deg=-1) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -141:sc= 1.17 (180deg=-0.0871) USER MOD Single : A 92 GLN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 95 CYS SG : rot 180:sc= -0.0212 USER MOD Single : A 96 CYS SG : rot 108:sc= 0.0493 USER MOD Single : A 103 HIS : +bothHN:sc= 1.5 K(o=1.5,f=-11!) USER MOD Single : A 105 HIS :FLIP no HD1:sc= -0.465 F(o=-1.8,f=-0.47) USER MOD Single : A 106 LYS NZ :NH3+ -162:sc= 1.25 (180deg=1.13) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -170:sc= -0.487 USER MOD Single : A 120 SER OG : rot 81:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -12.637 8.110 2.906 1.00 0.00 N ATOM 2 CA SER A 55 -12.518 7.527 1.567 1.00 0.00 C ATOM 3 C SER A 55 -12.730 6.046 1.626 1.00 0.00 C ATOM 4 O SER A 55 -13.077 5.488 2.665 1.00 0.00 O ATOM 5 CB SER A 55 -11.114 7.794 0.988 1.00 0.00 C ATOM 6 OG SER A 55 -11.134 7.674 -0.431 1.00 0.00 O ATOM 0 HA SER A 55 -13.275 7.987 0.931 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.780 8.792 1.271 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.399 7.088 1.410 1.00 0.00 H new ATOM 0 HG SER A 55 -10.249 7.894 -0.790 1.00 0.00 H new ATOM 14 N ASN A 56 -12.520 5.378 0.479 1.00 0.00 N ATOM 15 CA ASN A 56 -12.550 3.946 0.436 1.00 0.00 C ATOM 16 C ASN A 56 -11.578 3.541 -0.632 1.00 0.00 C ATOM 17 O ASN A 56 -11.594 2.419 -1.135 1.00 0.00 O ATOM 18 CB ASN A 56 -13.964 3.410 0.145 1.00 0.00 C ATOM 19 CG ASN A 56 -13.981 1.900 0.359 1.00 0.00 C ATOM 20 OD1 ASN A 56 -14.280 1.133 -0.558 1.00 0.00 O ATOM 21 ND2 ASN A 56 -13.723 1.458 1.611 1.00 0.00 N ATOM 0 H ASN A 56 -12.330 5.826 -0.418 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.274 3.523 1.402 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.690 3.891 0.801 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.253 3.648 -0.879 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.773 0.461 1.820 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.478 2.122 2.346 1.00 0.00 H new ATOM 28 N THR A 57 -10.646 4.459 -0.953 1.00 0.00 N ATOM 29 CA THR A 57 -9.711 4.217 -2.011 1.00 0.00 C ATOM 30 C THR A 57 -8.376 4.710 -1.540 1.00 0.00 C ATOM 31 O THR A 57 -8.291 5.674 -0.777 1.00 0.00 O ATOM 32 CB THR A 57 -10.085 4.935 -3.322 1.00 0.00 C ATOM 33 OG1 THR A 57 -9.898 6.340 -3.196 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.566 4.796 -3.692 1.00 0.00 C ATOM 0 H THR A 57 -10.540 5.360 -0.486 1.00 0.00 H new ATOM 0 HA THR A 57 -9.706 3.150 -2.234 1.00 0.00 H new ATOM 0 HB THR A 57 -9.447 4.471 -4.074 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.294 6.648 -2.354 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.759 5.325 -4.625 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.813 3.741 -3.815 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.181 5.222 -2.899 1.00 0.00 H new ATOM 42 N ILE A 58 -7.301 4.009 -1.948 1.00 0.00 N ATOM 43 CA ILE A 58 -5.973 4.482 -1.681 1.00 0.00 C ATOM 44 C ILE A 58 -5.154 4.125 -2.877 1.00 0.00 C ATOM 45 O ILE A 58 -5.583 3.337 -3.719 1.00 0.00 O ATOM 46 CB ILE A 58 -5.301 3.892 -0.426 1.00 0.00 C ATOM 47 CG1 ILE A 58 -6.282 3.229 0.551 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.392 4.898 0.305 1.00 0.00 C ATOM 49 CD1 ILE A 58 -6.641 1.786 0.177 1.00 0.00 C ATOM 0 H ILE A 58 -7.347 3.126 -2.456 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.039 5.552 -1.487 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.664 3.098 -0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.848 3.239 1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.195 3.822 0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.950 4.420 1.179 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.600 5.228 -0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.982 5.758 0.621 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.338 1.382 0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.105 1.770 -0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.736 1.178 0.162 1.00 0.00 H new ATOM 61 N ARG A 59 -3.936 4.691 -2.990 1.00 0.00 N ATOM 62 CA ARG A 59 -3.163 4.456 -4.167 1.00 0.00 C ATOM 63 C ARG A 59 -1.958 3.700 -3.760 1.00 0.00 C ATOM 64 O ARG A 59 -1.572 3.736 -2.600 1.00 0.00 O ATOM 65 CB ARG A 59 -2.718 5.759 -4.807 1.00 0.00 C ATOM 66 CG ARG A 59 -3.888 6.601 -5.312 1.00 0.00 C ATOM 67 CD ARG A 59 -4.354 7.671 -4.319 1.00 0.00 C ATOM 68 NE ARG A 59 -5.840 7.576 -4.213 1.00 0.00 N ATOM 69 CZ ARG A 59 -6.516 8.327 -3.299 1.00 0.00 C ATOM 70 NH1 ARG A 59 -5.859 8.978 -2.320 1.00 0.00 N ATOM 71 NH2 ARG A 59 -7.866 8.302 -3.267 1.00 0.00 N ATOM 0 H ARG A 59 -3.500 5.292 -2.290 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.767 3.909 -4.891 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.146 6.338 -4.082 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.049 5.540 -5.639 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.599 7.085 -6.245 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.725 5.942 -5.541 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.890 7.516 -3.345 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.058 8.663 -4.659 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.353 6.945 -4.829 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.843 8.912 -2.256 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.377 9.537 -1.642 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.381 7.720 -3.928 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.370 8.865 -2.582 1.00 0.00 H new ATOM 85 N VAL A 60 -1.326 3.034 -4.740 1.00 0.00 N ATOM 86 CA VAL A 60 -0.148 2.267 -4.460 1.00 0.00 C ATOM 87 C VAL A 60 0.847 2.592 -5.521 1.00 0.00 C ATOM 88 O VAL A 60 0.641 2.282 -6.692 1.00 0.00 O ATOM 89 CB VAL A 60 -0.368 0.750 -4.446 1.00 0.00 C ATOM 90 CG1 VAL A 60 0.780 -0.024 -3.786 1.00 0.00 C ATOM 91 CG2 VAL A 60 -1.694 0.332 -3.793 1.00 0.00 C ATOM 0 H VAL A 60 -1.623 3.024 -5.716 1.00 0.00 H new ATOM 0 HA VAL A 60 0.185 2.531 -3.456 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.404 0.484 -5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.560 -1.091 -3.810 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.707 0.168 -4.327 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.890 0.301 -2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.785 -0.754 -3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.714 0.675 -2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.525 0.778 -4.339 1.00 0.00 H new ATOM 101 N PHE A 61 1.966 3.212 -5.110 1.00 0.00 N ATOM 102 CA PHE A 61 2.983 3.596 -6.044 1.00 0.00 C ATOM 103 C PHE A 61 4.038 2.535 -5.995 1.00 0.00 C ATOM 104 O PHE A 61 4.285 1.924 -4.956 1.00 0.00 O ATOM 105 CB PHE A 61 3.625 4.943 -5.679 1.00 0.00 C ATOM 106 CG PHE A 61 2.722 6.030 -6.160 1.00 0.00 C ATOM 107 CD1 PHE A 61 1.473 6.238 -5.563 1.00 0.00 C ATOM 108 CD2 PHE A 61 3.131 6.920 -7.141 1.00 0.00 C ATOM 109 CE1 PHE A 61 0.676 7.302 -5.934 1.00 0.00 C ATOM 110 CE2 PHE A 61 2.346 8.008 -7.484 1.00 0.00 C ATOM 111 CZ PHE A 61 1.122 8.203 -6.879 1.00 0.00 C ATOM 0 H PHE A 61 2.169 3.447 -4.138 1.00 0.00 H new ATOM 0 HA PHE A 61 2.540 3.703 -7.034 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.769 5.017 -4.601 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.609 5.033 -6.139 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.128 5.555 -4.800 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.074 6.763 -7.644 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.298 7.429 -5.484 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.694 8.708 -8.229 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.516 9.057 -7.144 1.00 0.00 H new ATOM 121 N LEU A 62 4.696 2.260 -7.139 1.00 0.00 N ATOM 122 CA LEU A 62 5.630 1.171 -7.166 1.00 0.00 C ATOM 123 C LEU A 62 6.992 1.738 -6.896 1.00 0.00 C ATOM 124 O LEU A 62 7.235 2.938 -7.038 1.00 0.00 O ATOM 125 CB LEU A 62 5.647 0.422 -8.506 1.00 0.00 C ATOM 126 CG LEU A 62 4.524 -0.611 -8.647 1.00 0.00 C ATOM 127 CD1 LEU A 62 4.867 -1.969 -8.026 1.00 0.00 C ATOM 128 CD2 LEU A 62 3.175 -0.129 -8.096 1.00 0.00 C ATOM 0 H LEU A 62 4.589 2.770 -8.016 1.00 0.00 H new ATOM 0 HA LEU A 62 5.330 0.444 -6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.568 1.145 -9.318 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.608 -0.081 -8.619 1.00 0.00 H new ATOM 0 HG LEU A 62 4.426 -0.739 -9.725 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.029 -2.653 -8.161 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.752 -2.379 -8.513 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.064 -1.843 -6.961 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.427 -0.911 -8.229 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.276 0.099 -7.035 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.862 0.767 -8.632 1.00 0.00 H new ATOM 140 N PRO A 63 7.895 0.802 -6.637 1.00 0.00 N ATOM 141 CA PRO A 63 9.215 1.361 -6.450 1.00 0.00 C ATOM 142 C PRO A 63 9.796 1.441 -7.842 1.00 0.00 C ATOM 143 O PRO A 63 10.903 1.934 -8.037 1.00 0.00 O ATOM 144 CB PRO A 63 9.992 0.356 -5.624 1.00 0.00 C ATOM 145 CG PRO A 63 9.043 -0.809 -5.337 1.00 0.00 C ATOM 146 CD PRO A 63 7.667 -0.380 -5.835 1.00 0.00 C ATOM 0 HA PRO A 63 9.230 2.333 -5.957 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.874 0.012 -6.164 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.342 0.807 -4.696 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.375 -1.714 -5.846 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.017 -1.034 -4.271 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.200 -1.169 -6.424 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.998 -0.165 -5.002 1.00 0.00 H new ATOM 154 N ASN A 64 9.015 1.014 -8.860 1.00 0.00 N ATOM 155 CA ASN A 64 9.407 1.206 -10.226 1.00 0.00 C ATOM 156 C ASN A 64 8.781 2.493 -10.687 1.00 0.00 C ATOM 157 O ASN A 64 8.733 2.765 -11.884 1.00 0.00 O ATOM 158 CB ASN A 64 8.920 0.079 -11.154 1.00 0.00 C ATOM 159 CG ASN A 64 9.354 -1.254 -10.558 1.00 0.00 C ATOM 160 OD1 ASN A 64 8.709 -1.784 -9.652 1.00 0.00 O ATOM 161 ND2 ASN A 64 10.454 -1.837 -11.103 1.00 0.00 N ATOM 0 H ASN A 64 8.120 0.540 -8.737 1.00 0.00 H new ATOM 0 HA ASN A 64 10.496 1.217 -10.272 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.835 0.114 -11.256 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.339 0.202 -12.153 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.771 -2.745 -10.763 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.962 -1.367 -11.852 1.00 0.00 H new ATOM 168 N LYS A 65 8.228 3.270 -9.725 1.00 0.00 N ATOM 169 CA LYS A 65 7.754 4.600 -9.994 1.00 0.00 C ATOM 170 C LYS A 65 6.314 4.520 -10.400 1.00 0.00 C ATOM 171 O LYS A 65 5.647 5.544 -10.522 1.00 0.00 O ATOM 172 CB LYS A 65 8.542 5.415 -11.027 1.00 0.00 C ATOM 173 CG LYS A 65 10.056 5.404 -10.792 1.00 0.00 C ATOM 174 CD LYS A 65 10.482 6.116 -9.503 1.00 0.00 C ATOM 175 CE LYS A 65 10.887 5.157 -8.380 1.00 0.00 C ATOM 176 NZ LYS A 65 11.309 5.914 -7.204 1.00 0.00 N ATOM 0 H LYS A 65 8.110 2.973 -8.756 1.00 0.00 H new ATOM 0 HA LYS A 65 7.898 5.149 -9.064 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.334 5.022 -12.022 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.188 6.446 -11.011 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.403 4.371 -10.758 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.550 5.878 -11.640 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.319 6.779 -9.723 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.661 6.743 -9.156 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.049 4.509 -8.124 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.698 4.511 -8.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.582 5.255 -6.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.122 6.514 -7.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.524 6.512 -6.876 1.00 0.00 H new ATOM 190 N GLN A 66 5.783 3.288 -10.550 1.00 0.00 N ATOM 191 CA GLN A 66 4.461 3.122 -11.073 1.00 0.00 C ATOM 192 C GLN A 66 3.466 3.440 -10.006 1.00 0.00 C ATOM 193 O GLN A 66 3.810 3.886 -8.920 1.00 0.00 O ATOM 194 CB GLN A 66 4.242 1.705 -11.606 1.00 0.00 C ATOM 195 CG GLN A 66 4.376 1.599 -13.125 1.00 0.00 C ATOM 196 CD GLN A 66 5.762 2.086 -13.523 1.00 0.00 C ATOM 197 OE1 GLN A 66 5.930 3.227 -13.958 1.00 0.00 O ATOM 198 NE2 GLN A 66 6.781 1.203 -13.382 1.00 0.00 N ATOM 0 H GLN A 66 6.263 2.420 -10.312 1.00 0.00 H new ATOM 0 HA GLN A 66 4.330 3.806 -11.911 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.962 1.034 -11.138 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.250 1.364 -11.312 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.230 0.568 -13.447 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.609 2.198 -13.616 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.599 0.268 -13.018 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.730 1.474 -13.640 1.00 0.00 H new ATOM 207 N ARG A 67 2.171 3.347 -10.368 1.00 0.00 N ATOM 208 CA ARG A 67 1.134 3.745 -9.470 1.00 0.00 C ATOM 209 C ARG A 67 -0.115 3.037 -9.884 1.00 0.00 C ATOM 210 O ARG A 67 -0.191 2.474 -10.977 1.00 0.00 O ATOM 211 CB ARG A 67 0.865 5.251 -9.480 1.00 0.00 C ATOM 212 CG ARG A 67 0.721 5.846 -10.885 1.00 0.00 C ATOM 213 CD ARG A 67 1.917 6.703 -11.309 1.00 0.00 C ATOM 214 NE ARG A 67 2.619 5.987 -12.416 1.00 0.00 N ATOM 215 CZ ARG A 67 3.799 6.457 -12.904 1.00 0.00 C ATOM 216 NH1 ARG A 67 4.367 7.565 -12.389 1.00 0.00 N ATOM 217 NH2 ARG A 67 4.417 5.812 -13.919 1.00 0.00 N ATOM 0 H ARG A 67 1.847 3.001 -11.271 1.00 0.00 H new ATOM 0 HA ARG A 67 1.451 3.488 -8.459 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.046 5.451 -8.916 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.679 5.759 -8.962 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.591 5.036 -11.603 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.183 6.453 -10.923 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.584 7.687 -11.640 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.592 6.861 -10.468 1.00 0.00 H new ATOM 0 HE ARG A 67 2.211 5.139 -12.809 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.912 8.063 -11.624 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.252 7.906 -12.765 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.999 4.972 -14.320 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.302 6.165 -14.284 1.00 0.00 H new ATOM 231 N THR A 68 -1.119 3.055 -8.988 1.00 0.00 N ATOM 232 CA THR A 68 -2.402 2.494 -9.292 1.00 0.00 C ATOM 233 C THR A 68 -3.283 2.802 -8.121 1.00 0.00 C ATOM 234 O THR A 68 -2.807 3.293 -7.098 1.00 0.00 O ATOM 235 CB THR A 68 -2.395 0.976 -9.551 1.00 0.00 C ATOM 236 OG1 THR A 68 -3.663 0.550 -10.033 1.00 0.00 O ATOM 237 CG2 THR A 68 -1.989 0.131 -8.337 1.00 0.00 C ATOM 0 H THR A 68 -1.044 3.457 -8.054 1.00 0.00 H new ATOM 0 HA THR A 68 -2.754 2.933 -10.225 1.00 0.00 H new ATOM 0 HB THR A 68 -1.626 0.811 -10.306 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.644 -0.416 -10.195 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.010 -0.925 -8.605 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.982 0.405 -8.023 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.686 0.311 -7.519 1.00 0.00 H new ATOM 245 N VAL A 69 -4.595 2.534 -8.257 1.00 0.00 N ATOM 246 CA VAL A 69 -5.503 2.784 -7.177 1.00 0.00 C ATOM 247 C VAL A 69 -6.059 1.466 -6.752 1.00 0.00 C ATOM 248 O VAL A 69 -6.244 0.560 -7.565 1.00 0.00 O ATOM 249 CB VAL A 69 -6.651 3.739 -7.532 1.00 0.00 C ATOM 250 CG1 VAL A 69 -7.312 3.430 -8.881 1.00 0.00 C ATOM 251 CG2 VAL A 69 -7.702 3.905 -6.417 1.00 0.00 C ATOM 0 H VAL A 69 -5.023 2.150 -9.100 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.949 3.280 -6.380 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.158 4.706 -7.633 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.114 4.145 -9.065 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.570 3.505 -9.676 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.723 2.421 -8.862 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.478 4.595 -6.748 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.150 2.937 -6.192 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.223 4.300 -5.521 1.00 0.00 H new ATOM 261 N VAL A 70 -6.329 1.341 -5.442 1.00 0.00 N ATOM 262 CA VAL A 70 -6.865 0.123 -4.916 1.00 0.00 C ATOM 263 C VAL A 70 -8.007 0.490 -4.027 1.00 0.00 C ATOM 264 O VAL A 70 -8.057 1.594 -3.480 1.00 0.00 O ATOM 265 CB VAL A 70 -5.849 -0.689 -4.104 1.00 0.00 C ATOM 266 CG1 VAL A 70 -4.688 -1.215 -4.951 1.00 0.00 C ATOM 267 CG2 VAL A 70 -5.271 0.068 -2.897 1.00 0.00 C ATOM 0 H VAL A 70 -6.178 2.076 -4.751 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.166 -0.505 -5.754 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.435 -1.531 -3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.004 -1.781 -4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.076 -1.863 -5.737 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.157 -0.376 -5.401 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.561 -0.571 -2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.763 0.969 -3.242 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.079 0.344 -2.220 1.00 0.00 H new ATOM 277 N ASN A 71 -8.936 -0.464 -3.837 1.00 0.00 N ATOM 278 CA ASN A 71 -10.070 -0.224 -2.993 1.00 0.00 C ATOM 279 C ASN A 71 -10.088 -1.322 -1.979 1.00 0.00 C ATOM 280 O ASN A 71 -9.869 -2.489 -2.306 1.00 0.00 O ATOM 281 CB ASN A 71 -11.409 -0.259 -3.748 1.00 0.00 C ATOM 282 CG ASN A 71 -11.331 0.723 -4.911 1.00 0.00 C ATOM 283 OD1 ASN A 71 -10.904 1.866 -4.754 1.00 0.00 O ATOM 284 ND2 ASN A 71 -11.769 0.281 -6.122 1.00 0.00 N ATOM 0 H ASN A 71 -8.906 -1.391 -4.261 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.971 0.772 -2.561 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.612 -1.265 -4.114 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.228 0.008 -3.080 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.748 0.903 -6.930 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -12.118 -0.672 -6.221 1.00 0.00 H new ATOM 291 N VAL A 72 -10.357 -0.969 -0.709 1.00 0.00 N ATOM 292 CA VAL A 72 -10.367 -1.955 0.331 1.00 0.00 C ATOM 293 C VAL A 72 -11.792 -2.357 0.546 1.00 0.00 C ATOM 294 O VAL A 72 -12.634 -1.550 0.940 1.00 0.00 O ATOM 295 CB VAL A 72 -9.760 -1.465 1.653 1.00 0.00 C ATOM 296 CG1 VAL A 72 -10.150 -0.031 2.011 1.00 0.00 C ATOM 297 CG2 VAL A 72 -10.032 -2.389 2.855 1.00 0.00 C ATOM 0 H VAL A 72 -10.564 -0.018 -0.404 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.744 -2.792 0.015 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.689 -1.490 1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.685 0.247 2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.810 0.645 1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -11.234 0.039 2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.569 -1.970 3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -11.107 -2.476 3.011 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.613 -3.376 2.658 1.00 0.00 H new ATOM 369 N SER A 77 -6.608 -6.702 4.196 1.00 0.00 N ATOM 370 CA SER A 77 -5.276 -6.491 4.673 1.00 0.00 C ATOM 371 C SER A 77 -4.504 -6.003 3.527 1.00 0.00 C ATOM 372 O SER A 77 -4.817 -6.404 2.433 1.00 0.00 O ATOM 373 CB SER A 77 -4.545 -7.782 5.008 1.00 0.00 C ATOM 374 OG SER A 77 -4.643 -8.054 6.397 1.00 0.00 O ATOM 0 HA SER A 77 -5.350 -5.844 5.547 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.970 -8.608 4.437 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.497 -7.701 4.719 1.00 0.00 H new ATOM 0 HG SER A 77 -4.170 -8.888 6.601 1.00 0.00 H new ATOM 380 N LEU A 78 -3.299 -5.491 3.823 1.00 0.00 N ATOM 381 CA LEU A 78 -2.471 -4.874 2.845 1.00 0.00 C ATOM 382 C LEU A 78 -1.845 -5.910 1.981 1.00 0.00 C ATOM 383 O LEU A 78 -1.668 -5.714 0.794 1.00 0.00 O ATOM 384 CB LEU A 78 -1.471 -4.086 3.632 1.00 0.00 C ATOM 385 CG LEU A 78 -1.864 -2.628 3.700 1.00 0.00 C ATOM 386 CD1 LEU A 78 -1.390 -1.965 4.885 1.00 0.00 C ATOM 387 CD2 LEU A 78 -1.099 -1.788 2.721 1.00 0.00 C ATOM 0 H LEU A 78 -2.895 -5.507 4.759 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.018 -4.223 2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.394 -4.493 4.640 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.486 -4.180 3.174 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.945 -2.684 3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.707 -0.922 4.870 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.802 -2.457 5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.302 -2.013 4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.416 -0.749 2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.033 -1.861 2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.292 -2.143 1.709 1.00 0.00 H new ATOM 399 N HIS A 79 -1.543 -7.085 2.535 1.00 0.00 N ATOM 400 CA HIS A 79 -0.973 -8.133 1.732 1.00 0.00 C ATOM 401 C HIS A 79 -2.072 -8.710 0.870 1.00 0.00 C ATOM 402 O HIS A 79 -1.823 -9.555 0.021 1.00 0.00 O ATOM 403 CB HIS A 79 -0.399 -9.272 2.584 1.00 0.00 C ATOM 404 CG HIS A 79 1.070 -9.495 2.378 1.00 0.00 C ATOM 405 ND1 HIS A 79 2.020 -9.855 3.259 1.00 0.00 N flip ATOM 406 CD2 HIS A 79 1.708 -9.197 1.203 1.00 0.00 C flip ATOM 407 CE1 HIS A 79 3.224 -9.781 2.616 1.00 0.00 C flip ATOM 408 NE2 HIS A 79 3.012 -9.336 1.392 1.00 0.00 N flip ATOM 0 H HIS A 79 -1.685 -7.319 3.518 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.162 -7.705 1.144 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.581 -9.054 3.636 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.934 -10.193 2.352 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.230 -8.900 0.281 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.184 -10.042 3.037 1.00 0.00 H new ATOM 0 HE2 HIS A 79 3.735 -9.132 0.702 1.00 0.00 H new ATOM 417 N ASP A 80 -3.329 -8.290 1.115 1.00 0.00 N ATOM 418 CA ASP A 80 -4.414 -8.631 0.237 1.00 0.00 C ATOM 419 C ASP A 80 -4.801 -7.370 -0.484 1.00 0.00 C ATOM 420 O ASP A 80 -5.435 -7.409 -1.535 1.00 0.00 O ATOM 421 CB ASP A 80 -5.645 -9.107 1.026 1.00 0.00 C ATOM 422 CG ASP A 80 -5.384 -10.528 1.500 1.00 0.00 C ATOM 423 OD1 ASP A 80 -5.393 -11.448 0.641 1.00 0.00 O ATOM 424 OD2 ASP A 80 -5.182 -10.705 2.731 1.00 0.00 O ATOM 0 H ASP A 80 -3.595 -7.717 1.916 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.099 -9.430 -0.434 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.829 -8.450 1.876 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.536 -9.073 0.398 1.00 0.00 H new ATOM 429 N CYS A 81 -4.344 -6.224 0.056 1.00 0.00 N ATOM 430 CA CYS A 81 -4.803 -4.940 -0.381 1.00 0.00 C ATOM 431 C CYS A 81 -3.825 -4.443 -1.409 1.00 0.00 C ATOM 432 O CYS A 81 -4.118 -3.520 -2.168 1.00 0.00 O ATOM 433 CB CYS A 81 -4.869 -3.944 0.815 1.00 0.00 C ATOM 434 SG CYS A 81 -6.431 -3.011 0.749 1.00 0.00 S ATOM 0 H CYS A 81 -3.650 -6.188 0.802 1.00 0.00 H new ATOM 0 HA CYS A 81 -5.806 -5.019 -0.801 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.798 -4.487 1.758 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.022 -3.258 0.777 1.00 0.00 H new ATOM 0 HG CYS A 81 -7.014 -3.058 1.910 1.00 0.00 H new ATOM 440 N LEU A 82 -2.652 -5.103 -1.480 1.00 0.00 N ATOM 441 CA LEU A 82 -1.577 -4.649 -2.316 1.00 0.00 C ATOM 442 C LEU A 82 -1.306 -5.713 -3.278 1.00 0.00 C ATOM 443 O LEU A 82 -0.852 -5.446 -4.380 1.00 0.00 O ATOM 444 CB LEU A 82 -0.286 -4.586 -1.512 1.00 0.00 C ATOM 445 CG LEU A 82 -0.197 -3.363 -0.615 1.00 0.00 C ATOM 446 CD1 LEU A 82 1.173 -2.684 -0.661 1.00 0.00 C ATOM 447 CD2 LEU A 82 -1.192 -2.286 -1.012 1.00 0.00 C ATOM 0 H LEU A 82 -2.447 -5.954 -0.957 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.850 -3.687 -2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.203 -5.484 -0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.561 -4.588 -2.197 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.403 -3.756 0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.172 -1.818 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.939 -3.388 -0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.385 -2.362 -1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.090 -1.432 -0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.996 -1.969 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.205 -2.683 -0.943 1.00 0.00 H new ATOM 459 N MET A 83 -1.483 -6.954 -2.810 1.00 0.00 N ATOM 460 CA MET A 83 -1.435 -8.102 -3.662 1.00 0.00 C ATOM 461 C MET A 83 -2.278 -7.800 -4.855 1.00 0.00 C ATOM 462 O MET A 83 -1.794 -7.890 -5.952 1.00 0.00 O ATOM 463 CB MET A 83 -2.043 -9.254 -2.875 1.00 0.00 C ATOM 464 CG MET A 83 -2.494 -10.436 -3.726 1.00 0.00 C ATOM 465 SD MET A 83 -1.039 -11.345 -4.338 1.00 0.00 S ATOM 466 CE MET A 83 -0.430 -12.044 -2.770 1.00 0.00 C ATOM 0 H MET A 83 -1.662 -7.169 -1.829 1.00 0.00 H new ATOM 0 HA MET A 83 -0.423 -8.353 -3.979 1.00 0.00 H new ATOM 0 HB2 MET A 83 -1.312 -9.605 -2.147 1.00 0.00 H new ATOM 0 HB3 MET A 83 -2.899 -8.881 -2.312 1.00 0.00 H new ATOM 0 HG2 MET A 83 -3.128 -11.099 -3.137 1.00 0.00 H new ATOM 0 HG3 MET A 83 -3.094 -10.084 -4.565 1.00 0.00 H new ATOM 0 HE1 MET A 83 0.101 -12.975 -2.969 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.246 -11.334 -2.294 1.00 0.00 H new ATOM 0 HE3 MET A 83 -1.273 -12.242 -2.108 1.00 0.00 H new ATOM 476 N LYS A 84 -3.418 -7.130 -4.614 1.00 0.00 N ATOM 477 CA LYS A 84 -4.243 -6.612 -5.645 1.00 0.00 C ATOM 478 C LYS A 84 -3.398 -5.916 -6.695 1.00 0.00 C ATOM 479 O LYS A 84 -3.450 -6.258 -7.878 1.00 0.00 O ATOM 480 CB LYS A 84 -5.056 -5.557 -4.899 1.00 0.00 C ATOM 481 CG LYS A 84 -6.108 -4.905 -5.761 1.00 0.00 C ATOM 482 CD LYS A 84 -6.633 -5.865 -6.817 1.00 0.00 C ATOM 483 CE LYS A 84 -7.960 -5.429 -7.442 1.00 0.00 C ATOM 484 NZ LYS A 84 -7.749 -4.268 -8.302 1.00 0.00 N ATOM 0 H LYS A 84 -3.771 -6.947 -3.675 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.832 -7.375 -6.154 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.536 -6.019 -4.037 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.382 -4.791 -4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.933 -4.563 -5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.689 -4.023 -6.245 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.887 -5.967 -7.605 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.760 -6.850 -6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.385 -6.249 -8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.678 -5.186 -6.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.655 -3.978 -8.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.362 -3.484 -7.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.079 -4.514 -9.059 1.00 0.00 H new ATOM 498 N ALA A 85 -2.587 -4.929 -6.274 1.00 0.00 N ATOM 499 CA ALA A 85 -2.026 -3.985 -7.206 1.00 0.00 C ATOM 500 C ALA A 85 -0.712 -4.500 -7.725 1.00 0.00 C ATOM 501 O ALA A 85 0.025 -3.767 -8.383 1.00 0.00 O ATOM 502 CB ALA A 85 -1.702 -2.795 -6.290 1.00 0.00 C ATOM 0 H ALA A 85 -2.319 -4.780 -5.301 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.681 -3.775 -8.052 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.262 -1.991 -6.880 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.618 -2.439 -5.818 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.996 -3.109 -5.521 1.00 0.00 H new ATOM 508 N LEU A 86 -0.366 -5.767 -7.437 1.00 0.00 N ATOM 509 CA LEU A 86 0.940 -6.260 -7.784 1.00 0.00 C ATOM 510 C LEU A 86 0.755 -7.610 -8.341 1.00 0.00 C ATOM 511 O LEU A 86 1.563 -8.077 -9.123 1.00 0.00 O ATOM 512 CB LEU A 86 1.762 -6.424 -6.521 1.00 0.00 C ATOM 513 CG LEU A 86 1.844 -5.130 -5.719 1.00 0.00 C ATOM 514 CD1 LEU A 86 1.916 -5.337 -4.236 1.00 0.00 C ATOM 515 CD2 LEU A 86 2.796 -4.105 -6.323 1.00 0.00 C ATOM 0 H LEU A 86 -0.973 -6.443 -6.973 1.00 0.00 H new ATOM 0 HA LEU A 86 1.431 -5.579 -8.479 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.323 -7.207 -5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.768 -6.752 -6.783 1.00 0.00 H new ATOM 0 HG LEU A 86 0.876 -4.639 -5.823 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.972 -4.370 -3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.026 -5.869 -3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.802 -5.923 -3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.807 -3.209 -5.703 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.801 -4.525 -6.371 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.463 -3.847 -7.328 1.00 0.00 H new ATOM 527 N LYS A 87 -0.284 -8.294 -7.851 1.00 0.00 N ATOM 528 CA LYS A 87 -0.743 -9.512 -8.452 1.00 0.00 C ATOM 529 C LYS A 87 -1.092 -9.222 -9.876 1.00 0.00 C ATOM 530 O LYS A 87 -0.846 -10.037 -10.765 1.00 0.00 O ATOM 531 CB LYS A 87 -2.065 -9.919 -7.817 1.00 0.00 C ATOM 532 CG LYS A 87 -2.289 -11.417 -7.794 1.00 0.00 C ATOM 533 CD LYS A 87 -3.160 -11.922 -8.949 1.00 0.00 C ATOM 534 CE LYS A 87 -2.577 -13.140 -9.673 1.00 0.00 C ATOM 535 NZ LYS A 87 -1.315 -12.786 -10.315 1.00 0.00 N ATOM 0 H LYS A 87 -0.816 -8.006 -7.030 1.00 0.00 H new ATOM 0 HA LYS A 87 0.026 -10.276 -8.337 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.101 -9.539 -6.796 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.882 -9.446 -8.362 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.323 -11.921 -7.830 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.757 -11.692 -6.849 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.147 -12.178 -8.563 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.298 -11.115 -9.668 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.418 -13.952 -8.964 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.284 -13.502 -10.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.253 -13.256 -11.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.269 -11.755 -10.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.522 -13.094 -9.716 1.00 0.00 H new ATOM 549 N VAL A 88 -1.721 -8.052 -10.089 1.00 0.00 N ATOM 550 CA VAL A 88 -2.169 -7.658 -11.397 1.00 0.00 C ATOM 551 C VAL A 88 -0.949 -7.403 -12.255 1.00 0.00 C ATOM 552 O VAL A 88 -1.011 -7.461 -13.481 1.00 0.00 O ATOM 553 CB VAL A 88 -3.034 -6.390 -11.319 1.00 0.00 C ATOM 554 CG1 VAL A 88 -2.282 -5.160 -10.813 1.00 0.00 C ATOM 555 CG2 VAL A 88 -3.599 -5.917 -12.650 1.00 0.00 C ATOM 0 H VAL A 88 -1.922 -7.373 -9.354 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.780 -8.450 -11.830 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.817 -6.723 -10.638 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.958 -4.306 -10.786 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.901 -5.353 -9.810 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.449 -4.942 -11.482 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.195 -5.018 -12.493 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.780 -5.696 -13.335 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.228 -6.699 -13.077 1.00 0.00 H new ATOM 565 N ARG A 89 0.205 -7.156 -11.605 1.00 0.00 N ATOM 566 CA ARG A 89 1.428 -6.911 -12.315 1.00 0.00 C ATOM 567 C ARG A 89 2.115 -8.225 -12.491 1.00 0.00 C ATOM 568 O ARG A 89 2.627 -8.535 -13.564 1.00 0.00 O ATOM 569 CB ARG A 89 2.327 -6.022 -11.459 1.00 0.00 C ATOM 570 CG ARG A 89 1.639 -4.734 -11.036 1.00 0.00 C ATOM 571 CD ARG A 89 2.610 -3.671 -10.532 1.00 0.00 C ATOM 572 NE ARG A 89 1.804 -2.500 -10.078 1.00 0.00 N ATOM 573 CZ ARG A 89 1.323 -1.593 -10.973 1.00 0.00 C ATOM 574 NH1 ARG A 89 1.620 -1.690 -12.282 1.00 0.00 N ATOM 575 NH2 ARG A 89 0.587 -0.546 -10.539 1.00 0.00 N ATOM 0 H ARG A 89 0.293 -7.126 -10.589 1.00 0.00 H new ATOM 0 HA ARG A 89 1.227 -6.432 -13.273 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.638 -6.573 -10.571 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.232 -5.781 -12.017 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.080 -4.334 -11.882 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.915 -4.957 -10.252 1.00 0.00 H new ATOM 0 HD2 ARG A 89 3.213 -4.061 -9.712 1.00 0.00 H new ATOM 0 HD3 ARG A 89 3.300 -3.377 -11.323 1.00 0.00 H new ATOM 0 HE ARG A 89 1.611 -2.377 -9.084 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.213 -2.450 -12.616 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.252 -1.003 -12.941 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.393 -0.437 -9.544 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.225 0.135 -11.207 1.00 0.00 H new ATOM 589 N GLY A 90 2.167 -8.992 -11.393 1.00 0.00 N ATOM 590 CA GLY A 90 2.847 -10.256 -11.379 1.00 0.00 C ATOM 591 C GLY A 90 4.072 -10.096 -10.530 1.00 0.00 C ATOM 592 O GLY A 90 5.105 -10.706 -10.793 1.00 0.00 O ATOM 0 H GLY A 90 1.736 -8.739 -10.504 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.200 -11.036 -10.977 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.118 -10.557 -12.391 1.00 0.00 H new ATOM 596 N LEU A 91 3.966 -9.280 -9.461 1.00 0.00 N ATOM 597 CA LEU A 91 5.111 -8.973 -8.654 1.00 0.00 C ATOM 598 C LEU A 91 4.936 -9.655 -7.331 1.00 0.00 C ATOM 599 O LEU A 91 3.868 -10.179 -7.015 1.00 0.00 O ATOM 600 CB LEU A 91 5.238 -7.467 -8.384 1.00 0.00 C ATOM 601 CG LEU A 91 5.625 -6.649 -9.619 1.00 0.00 C ATOM 602 CD1 LEU A 91 6.272 -5.304 -9.267 1.00 0.00 C ATOM 603 CD2 LEU A 91 6.505 -7.420 -10.605 1.00 0.00 C ATOM 0 H LEU A 91 3.098 -8.838 -9.158 1.00 0.00 H new ATOM 0 HA LEU A 91 6.002 -9.307 -9.185 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.290 -7.096 -7.996 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.985 -7.308 -7.606 1.00 0.00 H new ATOM 0 HG LEU A 91 4.678 -6.444 -10.118 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.524 -4.770 -10.184 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.574 -4.707 -8.680 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.179 -5.477 -8.687 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.742 -6.782 -11.457 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.428 -7.722 -10.110 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.973 -8.306 -10.952 1.00 0.00 H new ATOM 615 N GLN A 92 6.000 -9.617 -6.504 1.00 0.00 N ATOM 616 CA GLN A 92 5.957 -10.236 -5.211 1.00 0.00 C ATOM 617 C GLN A 92 5.955 -9.132 -4.188 1.00 0.00 C ATOM 618 O GLN A 92 6.815 -8.250 -4.200 1.00 0.00 O ATOM 619 CB GLN A 92 7.185 -11.120 -4.952 1.00 0.00 C ATOM 620 CG GLN A 92 7.330 -12.277 -5.950 1.00 0.00 C ATOM 621 CD GLN A 92 6.761 -13.542 -5.314 1.00 0.00 C ATOM 622 OE1 GLN A 92 7.500 -14.467 -4.975 1.00 0.00 O ATOM 623 NE2 GLN A 92 5.406 -13.621 -5.176 1.00 0.00 N ATOM 0 H GLN A 92 6.884 -9.161 -6.728 1.00 0.00 H new ATOM 0 HA GLN A 92 5.070 -10.867 -5.154 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.082 -10.502 -4.992 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.123 -11.527 -3.943 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.801 -12.048 -6.875 1.00 0.00 H new ATOM 0 HG3 GLN A 92 8.378 -12.423 -6.210 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.818 -12.840 -5.465 1.00 0.00 H new ATOM 0 HE22 GLN A 92 4.981 -14.461 -4.784 1.00 0.00 H new ATOM 632 N PRO A 93 5.025 -9.274 -3.253 1.00 0.00 N ATOM 633 CA PRO A 93 5.012 -8.145 -2.342 1.00 0.00 C ATOM 634 C PRO A 93 5.649 -8.661 -1.077 1.00 0.00 C ATOM 635 O PRO A 93 5.986 -7.888 -0.185 1.00 0.00 O ATOM 636 CB PRO A 93 3.550 -7.885 -2.042 1.00 0.00 C ATOM 637 CG PRO A 93 2.790 -9.125 -2.495 1.00 0.00 C ATOM 638 CD PRO A 93 3.699 -9.813 -3.503 1.00 0.00 C ATOM 0 HA PRO A 93 5.512 -7.256 -2.726 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.398 -7.704 -0.978 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.197 -6.999 -2.570 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.571 -9.781 -1.652 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.835 -8.857 -2.947 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.683 -10.895 -3.373 1.00 0.00 H new ATOM 0 HD3 PRO A 93 3.378 -9.610 -4.525 1.00 0.00 H new ATOM 646 N GLU A 94 5.880 -9.987 -0.976 1.00 0.00 N ATOM 647 CA GLU A 94 6.257 -10.576 0.281 1.00 0.00 C ATOM 648 C GLU A 94 7.695 -10.230 0.560 1.00 0.00 C ATOM 649 O GLU A 94 8.177 -10.405 1.678 1.00 0.00 O ATOM 650 CB GLU A 94 6.139 -12.107 0.299 1.00 0.00 C ATOM 651 CG GLU A 94 4.738 -12.622 -0.057 1.00 0.00 C ATOM 652 CD GLU A 94 4.726 -13.007 -1.532 1.00 0.00 C ATOM 653 OE1 GLU A 94 5.204 -12.187 -2.364 1.00 0.00 O ATOM 654 OE2 GLU A 94 4.219 -14.115 -1.851 1.00 0.00 O ATOM 0 H GLU A 94 5.808 -10.645 -1.752 1.00 0.00 H new ATOM 0 HA GLU A 94 5.573 -10.179 1.032 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.860 -12.526 -0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.410 -12.472 1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.482 -13.482 0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.990 -11.854 0.140 1.00 0.00 H new ATOM 661 N CYS A 95 8.412 -9.711 -0.455 1.00 0.00 N ATOM 662 CA CYS A 95 9.815 -9.457 -0.300 1.00 0.00 C ATOM 663 C CYS A 95 10.004 -7.967 -0.216 1.00 0.00 C ATOM 664 O CYS A 95 11.118 -7.458 -0.351 1.00 0.00 O ATOM 665 CB CYS A 95 10.616 -9.972 -1.505 1.00 0.00 C ATOM 666 SG CYS A 95 12.341 -10.292 -1.011 1.00 0.00 S ATOM 0 H CYS A 95 8.029 -9.470 -1.369 1.00 0.00 H new ATOM 0 HA CYS A 95 10.169 -9.968 0.595 1.00 0.00 H new ATOM 0 HB2 CYS A 95 10.163 -10.886 -1.890 1.00 0.00 H new ATOM 0 HB3 CYS A 95 10.589 -9.239 -2.311 1.00 0.00 H new ATOM 0 HG CYS A 95 13.012 -10.729 -2.035 1.00 0.00 H new ATOM 672 N CYS A 96 8.912 -7.224 0.048 1.00 0.00 N ATOM 673 CA CYS A 96 8.983 -5.794 -0.021 1.00 0.00 C ATOM 674 C CYS A 96 8.382 -5.240 1.237 1.00 0.00 C ATOM 675 O CYS A 96 7.740 -5.956 2.006 1.00 0.00 O ATOM 676 CB CYS A 96 8.159 -5.250 -1.193 1.00 0.00 C ATOM 677 SG CYS A 96 8.927 -5.743 -2.771 1.00 0.00 S ATOM 0 H CYS A 96 7.999 -7.601 0.304 1.00 0.00 H new ATOM 0 HA CYS A 96 10.026 -5.505 -0.150 1.00 0.00 H new ATOM 0 HB2 CYS A 96 7.139 -5.631 -1.140 1.00 0.00 H new ATOM 0 HB3 CYS A 96 8.097 -4.163 -1.132 1.00 0.00 H new ATOM 0 HG CYS A 96 8.201 -6.659 -3.339 1.00 0.00 H new ATOM 683 N ALA A 97 8.588 -3.925 1.452 1.00 0.00 N ATOM 684 CA ALA A 97 7.939 -3.228 2.523 1.00 0.00 C ATOM 685 C ALA A 97 7.047 -2.220 1.883 1.00 0.00 C ATOM 686 O ALA A 97 7.405 -1.605 0.884 1.00 0.00 O ATOM 687 CB ALA A 97 8.892 -2.457 3.457 1.00 0.00 C ATOM 0 H ALA A 97 9.205 -3.344 0.883 1.00 0.00 H new ATOM 0 HA ALA A 97 7.430 -3.971 3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.314 -1.961 4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.596 -3.153 3.914 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.441 -1.711 2.882 1.00 0.00 H new ATOM 693 N VAL A 98 5.857 -2.019 2.465 1.00 0.00 N ATOM 694 CA VAL A 98 4.932 -1.072 1.925 1.00 0.00 C ATOM 695 C VAL A 98 4.799 0.034 2.924 1.00 0.00 C ATOM 696 O VAL A 98 5.033 -0.147 4.121 1.00 0.00 O ATOM 697 CB VAL A 98 3.562 -1.695 1.635 1.00 0.00 C ATOM 698 CG1 VAL A 98 3.107 -2.672 2.714 1.00 0.00 C ATOM 699 CG2 VAL A 98 2.437 -0.676 1.432 1.00 0.00 C ATOM 0 H VAL A 98 5.534 -2.505 3.302 1.00 0.00 H new ATOM 0 HA VAL A 98 5.307 -0.704 0.970 1.00 0.00 H new ATOM 0 HB VAL A 98 3.733 -2.224 0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.131 -3.078 2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.828 -3.485 2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.037 -2.152 3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.503 -1.201 1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.328 -0.071 2.332 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.679 -0.031 0.588 1.00 0.00 H new ATOM 709 N PHE A 99 4.395 1.218 2.431 1.00 0.00 N ATOM 710 CA PHE A 99 4.378 2.393 3.245 1.00 0.00 C ATOM 711 C PHE A 99 3.201 3.201 2.824 1.00 0.00 C ATOM 712 O PHE A 99 2.650 3.007 1.741 1.00 0.00 O ATOM 713 CB PHE A 99 5.568 3.320 2.955 1.00 0.00 C ATOM 714 CG PHE A 99 6.806 2.665 3.459 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.454 1.701 2.704 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.447 3.113 4.625 1.00 0.00 C ATOM 717 CE1 PHE A 99 8.763 1.364 2.967 1.00 0.00 C ATOM 718 CE2 PHE A 99 8.746 2.760 4.893 1.00 0.00 C ATOM 719 CZ PHE A 99 9.429 1.970 4.006 1.00 0.00 C ATOM 0 H PHE A 99 4.081 1.362 1.471 1.00 0.00 H new ATOM 0 HA PHE A 99 4.382 2.069 4.286 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.648 3.511 1.885 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.424 4.285 3.441 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.927 1.208 1.900 1.00 0.00 H new ATOM 0 HD2 PHE A 99 6.911 3.743 5.320 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.265 0.626 2.359 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.227 3.103 5.797 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.493 1.823 4.123 1.00 0.00 H new ATOM 729 N ARG A 100 2.875 4.210 3.648 1.00 0.00 N ATOM 730 CA ARG A 100 2.088 5.306 3.188 1.00 0.00 C ATOM 731 C ARG A 100 3.040 6.443 3.000 1.00 0.00 C ATOM 732 O ARG A 100 4.079 6.518 3.657 1.00 0.00 O ATOM 733 CB ARG A 100 0.923 5.608 4.131 1.00 0.00 C ATOM 734 CG ARG A 100 0.793 7.069 4.563 1.00 0.00 C ATOM 735 CD ARG A 100 0.248 7.200 5.983 1.00 0.00 C ATOM 736 NE ARG A 100 -0.525 8.473 6.082 1.00 0.00 N ATOM 737 CZ ARG A 100 0.092 9.673 6.243 1.00 0.00 C ATOM 738 NH1 ARG A 100 1.435 9.772 6.248 1.00 0.00 N ATOM 739 NH2 ARG A 100 -0.659 10.792 6.337 1.00 0.00 N ATOM 0 H ARG A 100 3.155 4.266 4.627 1.00 0.00 H new ATOM 0 HA ARG A 100 1.592 5.086 2.243 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -0.004 5.307 3.644 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.030 4.991 5.023 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.768 7.553 4.503 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.134 7.594 3.872 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.391 6.350 6.223 1.00 0.00 H new ATOM 0 HD3 ARG A 100 1.066 7.197 6.704 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.543 8.441 6.027 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.008 8.937 6.129 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.879 10.682 6.370 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.676 10.729 6.287 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.209 11.699 6.458 1.00 0.00 H new ATOM 753 N LEU A 101 2.729 7.335 2.049 1.00 0.00 N ATOM 754 CA LEU A 101 3.680 8.322 1.629 1.00 0.00 C ATOM 755 C LEU A 101 3.655 9.439 2.625 1.00 0.00 C ATOM 756 O LEU A 101 2.941 9.406 3.626 1.00 0.00 O ATOM 757 CB LEU A 101 3.314 8.911 0.259 1.00 0.00 C ATOM 758 CG LEU A 101 3.471 7.915 -0.892 1.00 0.00 C ATOM 759 CD1 LEU A 101 3.136 8.515 -2.260 1.00 0.00 C ATOM 760 CD2 LEU A 101 4.835 7.224 -0.902 1.00 0.00 C ATOM 0 H LEU A 101 1.829 7.378 1.571 1.00 0.00 H new ATOM 0 HA LEU A 101 4.660 7.851 1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.283 9.263 0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.943 9.780 0.066 1.00 0.00 H new ATOM 0 HG LEU A 101 2.726 7.143 -0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.268 7.757 -3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.102 8.860 -2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.800 9.356 -2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.885 6.530 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.621 7.972 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.972 6.676 0.030 1.00 0.00 H new ATOM 772 N LEU A 102 4.461 10.480 2.353 1.00 0.00 N ATOM 773 CA LEU A 102 4.575 11.574 3.261 1.00 0.00 C ATOM 774 C LEU A 102 3.571 12.602 2.852 1.00 0.00 C ATOM 775 O LEU A 102 3.671 13.200 1.782 1.00 0.00 O ATOM 776 CB LEU A 102 5.964 12.210 3.227 1.00 0.00 C ATOM 777 CG LEU A 102 6.679 12.068 1.879 1.00 0.00 C ATOM 778 CD1 LEU A 102 7.684 13.193 1.624 1.00 0.00 C ATOM 779 CD2 LEU A 102 7.414 10.731 1.712 1.00 0.00 C ATOM 0 H LEU A 102 5.029 10.563 1.510 1.00 0.00 H new ATOM 0 HA LEU A 102 4.405 11.208 4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.874 13.269 3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 102 6.580 11.756 4.003 1.00 0.00 H new ATOM 0 HG LEU A 102 5.871 12.120 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.161 13.042 0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 102 7.166 14.152 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.443 13.188 2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.897 10.701 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.168 10.630 2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.700 9.911 1.790 1.00 0.00 H new ATOM 791 N HIS A 103 2.576 12.843 3.724 1.00 0.00 N ATOM 792 CA HIS A 103 1.648 13.908 3.492 1.00 0.00 C ATOM 793 C HIS A 103 1.859 14.909 4.586 1.00 0.00 C ATOM 794 O HIS A 103 1.087 15.851 4.747 1.00 0.00 O ATOM 795 CB HIS A 103 0.184 13.435 3.513 1.00 0.00 C ATOM 796 CG HIS A 103 -0.184 12.609 2.314 1.00 0.00 C ATOM 797 ND1 HIS A 103 -1.334 11.862 2.264 1.00 0.00 N ATOM 798 CD2 HIS A 103 0.338 12.595 1.064 1.00 0.00 C ATOM 799 CE1 HIS A 103 -1.500 11.419 1.029 1.00 0.00 C ATOM 800 NE2 HIS A 103 -0.499 11.846 0.282 1.00 0.00 N ATOM 0 H HIS A 103 2.414 12.310 4.578 1.00 0.00 H new ATOM 0 HA HIS A 103 1.825 14.327 2.501 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.010 12.851 4.417 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.472 14.304 3.564 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -1.958 11.679 3.050 1.00 0.00 H new ATOM 0 HD2 HIS A 103 1.246 13.084 0.744 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.322 10.807 0.687 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -0.371 11.651 -0.711 1.00 0.00 H new ATOM 809 N GLU A 104 2.954 14.732 5.356 1.00 0.00 N ATOM 810 CA GLU A 104 3.189 15.574 6.491 1.00 0.00 C ATOM 811 C GLU A 104 4.604 15.343 6.949 1.00 0.00 C ATOM 812 O GLU A 104 4.916 15.468 8.133 1.00 0.00 O ATOM 813 CB GLU A 104 2.219 15.344 7.655 1.00 0.00 C ATOM 814 CG GLU A 104 2.259 13.923 8.230 1.00 0.00 C ATOM 815 CD GLU A 104 1.613 12.975 7.228 1.00 0.00 C ATOM 816 OE1 GLU A 104 0.365 13.033 7.062 1.00 0.00 O ATOM 817 OE2 GLU A 104 2.348 12.170 6.585 1.00 0.00 O ATOM 0 H GLU A 104 3.665 14.018 5.195 1.00 0.00 H new ATOM 0 HA GLU A 104 3.023 16.605 6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.448 16.053 8.450 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.205 15.560 7.318 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.288 13.623 8.425 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.730 13.885 9.182 1.00 0.00 H new ATOM 824 N HIS A 105 5.508 14.998 6.009 1.00 0.00 N ATOM 825 CA HIS A 105 6.884 14.798 6.368 1.00 0.00 C ATOM 826 C HIS A 105 7.714 15.419 5.289 1.00 0.00 C ATOM 827 O HIS A 105 7.194 15.833 4.254 1.00 0.00 O ATOM 828 CB HIS A 105 7.305 13.324 6.515 1.00 0.00 C ATOM 829 CG HIS A 105 6.229 12.450 7.088 1.00 0.00 C ATOM 830 ND1 HIS A 105 5.687 11.312 6.608 1.00 0.00 N flip ATOM 831 CD2 HIS A 105 5.789 12.585 8.378 1.00 0.00 C flip ATOM 832 CE1 HIS A 105 4.916 10.776 7.602 1.00 0.00 C flip ATOM 833 NE2 HIS A 105 4.996 11.563 8.661 1.00 0.00 N flip ATOM 0 H HIS A 105 5.294 14.860 5.021 1.00 0.00 H new ATOM 0 HA HIS A 105 7.030 15.249 7.349 1.00 0.00 H new ATOM 0 HB2 HIS A 105 7.594 12.938 5.538 1.00 0.00 H new ATOM 0 HB3 HIS A 105 8.187 13.268 7.154 1.00 0.00 H new ATOM 0 HD2 HIS A 105 6.046 13.390 9.051 1.00 0.00 H new ATOM 0 HE1 HIS A 105 4.340 9.865 7.534 1.00 0.00 H new ATOM 0 HE2 HIS A 105 4.524 11.408 9.552 1.00 0.00 H new ATOM 842 N LYS A 106 9.048 15.448 5.492 1.00 0.00 N ATOM 843 CA LYS A 106 9.913 16.106 4.559 1.00 0.00 C ATOM 844 C LYS A 106 10.404 15.081 3.589 1.00 0.00 C ATOM 845 O LYS A 106 10.576 15.359 2.404 1.00 0.00 O ATOM 846 CB LYS A 106 11.117 16.740 5.266 1.00 0.00 C ATOM 847 CG LYS A 106 12.076 17.472 4.322 1.00 0.00 C ATOM 848 CD LYS A 106 11.489 18.755 3.723 1.00 0.00 C ATOM 849 CE LYS A 106 11.675 18.863 2.206 1.00 0.00 C ATOM 850 NZ LYS A 106 10.731 17.982 1.520 1.00 0.00 N ATOM 0 H LYS A 106 9.520 15.023 6.290 1.00 0.00 H new ATOM 0 HA LYS A 106 9.360 16.900 4.057 1.00 0.00 H new ATOM 0 HB2 LYS A 106 10.756 17.442 6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 106 11.667 15.961 5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.988 17.719 4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.359 16.799 3.512 1.00 0.00 H new ATOM 0 HD2 LYS A 106 10.425 18.801 3.955 1.00 0.00 H new ATOM 0 HD3 LYS A 106 11.956 19.616 4.200 1.00 0.00 H new ATOM 0 HE2 LYS A 106 11.522 19.893 1.885 1.00 0.00 H new ATOM 0 HE3 LYS A 106 12.697 18.594 1.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 11.051 17.824 0.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 10.680 17.071 2.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.789 18.424 1.509 1.00 0.00 H new ATOM 864 N GLY A 107 10.664 13.864 4.091 1.00 0.00 N ATOM 865 CA GLY A 107 11.185 12.823 3.251 1.00 0.00 C ATOM 866 C GLY A 107 11.237 11.572 4.065 1.00 0.00 C ATOM 867 O GLY A 107 12.311 11.041 4.330 1.00 0.00 O ATOM 0 H GLY A 107 10.518 13.598 5.065 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.551 12.684 2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 107 12.179 13.085 2.887 1.00 0.00 H new ATOM 871 N LYS A 108 10.053 11.054 4.444 1.00 0.00 N ATOM 872 CA LYS A 108 9.990 9.822 5.161 1.00 0.00 C ATOM 873 C LYS A 108 8.657 9.235 4.871 1.00 0.00 C ATOM 874 O LYS A 108 7.641 9.924 4.900 1.00 0.00 O ATOM 875 CB LYS A 108 10.106 9.980 6.672 1.00 0.00 C ATOM 876 CG LYS A 108 11.535 10.263 7.128 1.00 0.00 C ATOM 877 CD LYS A 108 11.900 9.572 8.443 1.00 0.00 C ATOM 878 CE LYS A 108 13.308 9.911 8.938 1.00 0.00 C ATOM 879 NZ LYS A 108 13.584 9.200 10.183 1.00 0.00 N ATOM 0 H LYS A 108 9.148 11.486 4.255 1.00 0.00 H new ATOM 0 HA LYS A 108 10.830 9.204 4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.457 10.793 6.999 1.00 0.00 H new ATOM 0 HB3 LYS A 108 9.748 9.072 7.157 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.228 9.939 6.351 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.666 11.339 7.243 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.176 9.856 9.207 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.819 8.493 8.312 1.00 0.00 H new ATOM 0 HE2 LYS A 108 14.044 9.637 8.182 1.00 0.00 H new ATOM 0 HE3 LYS A 108 13.398 10.986 9.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 14.542 9.436 10.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.891 9.482 10.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.516 8.175 10.020 1.00 0.00 H new ATOM 893 N LYS A 109 8.644 7.935 4.561 1.00 0.00 N ATOM 894 CA LYS A 109 7.422 7.266 4.278 1.00 0.00 C ATOM 895 C LYS A 109 7.006 6.594 5.540 1.00 0.00 C ATOM 896 O LYS A 109 7.837 6.093 6.297 1.00 0.00 O ATOM 897 CB LYS A 109 7.631 6.248 3.167 1.00 0.00 C ATOM 898 CG LYS A 109 7.579 6.841 1.764 1.00 0.00 C ATOM 899 CD LYS A 109 7.744 5.780 0.684 1.00 0.00 C ATOM 900 CE LYS A 109 9.204 5.545 0.293 1.00 0.00 C ATOM 901 NZ LYS A 109 9.579 6.439 -0.797 1.00 0.00 N ATOM 0 H LYS A 109 9.476 7.348 4.506 1.00 0.00 H new ATOM 0 HA LYS A 109 6.654 7.961 3.940 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.597 5.763 3.310 1.00 0.00 H new ATOM 0 HB3 LYS A 109 6.870 5.473 3.251 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.628 7.355 1.624 1.00 0.00 H new ATOM 0 HG3 LYS A 109 8.364 7.589 1.659 1.00 0.00 H new ATOM 0 HD2 LYS A 109 7.312 4.843 1.035 1.00 0.00 H new ATOM 0 HD3 LYS A 109 7.181 6.079 -0.200 1.00 0.00 H new ATOM 0 HE2 LYS A 109 9.851 5.716 1.153 1.00 0.00 H new ATOM 0 HE3 LYS A 109 9.345 4.508 -0.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 10.531 6.193 -1.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 8.898 6.341 -1.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 9.576 7.422 -0.457 1.00 0.00 H new ATOM 915 N ALA A 110 5.694 6.620 5.820 1.00 0.00 N ATOM 916 CA ALA A 110 5.194 6.032 7.028 1.00 0.00 C ATOM 917 C ALA A 110 5.023 4.579 6.760 1.00 0.00 C ATOM 918 O ALA A 110 4.293 4.184 5.856 1.00 0.00 O ATOM 919 CB ALA A 110 3.863 6.577 7.543 1.00 0.00 C ATOM 0 H ALA A 110 4.984 7.041 5.221 1.00 0.00 H new ATOM 0 HA ALA A 110 5.918 6.271 7.807 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.587 6.057 8.460 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.961 7.643 7.746 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.090 6.420 6.791 1.00 0.00 H new ATOM 925 N ARG A 111 5.737 3.737 7.524 1.00 0.00 N ATOM 926 CA ARG A 111 5.854 2.371 7.148 1.00 0.00 C ATOM 927 C ARG A 111 4.745 1.641 7.807 1.00 0.00 C ATOM 928 O ARG A 111 4.321 1.984 8.910 1.00 0.00 O ATOM 929 CB ARG A 111 7.190 1.812 7.601 1.00 0.00 C ATOM 930 CG ARG A 111 7.423 0.366 7.180 1.00 0.00 C ATOM 931 CD ARG A 111 7.304 -0.598 8.355 1.00 0.00 C ATOM 932 NE ARG A 111 7.780 -1.938 7.895 1.00 0.00 N ATOM 933 CZ ARG A 111 9.107 -2.168 7.679 1.00 0.00 C ATOM 934 NH1 ARG A 111 10.034 -1.262 8.048 1.00 0.00 N ATOM 935 NH2 ARG A 111 9.517 -3.355 7.177 1.00 0.00 N ATOM 0 H ARG A 111 6.222 3.996 8.383 1.00 0.00 H new ATOM 0 HA ARG A 111 5.800 2.263 6.065 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.990 2.432 7.196 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.253 1.880 8.687 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.701 0.091 6.411 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.413 0.273 6.734 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.901 -0.249 9.198 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.271 -0.656 8.698 1.00 0.00 H new ATOM 0 HE ARG A 111 7.106 -2.688 7.741 1.00 0.00 H new ATOM 0 HH11 ARG A 111 9.747 -0.391 8.495 1.00 0.00 H new ATOM 0 HH12 ARG A 111 11.023 -1.447 7.880 1.00 0.00 H new ATOM 0 HH21 ARG A 111 8.833 -4.080 6.959 1.00 0.00 H new ATOM 0 HH22 ARG A 111 10.510 -3.525 7.016 1.00 0.00 H new ATOM 949 N LEU A 112 4.257 0.604 7.116 1.00 0.00 N ATOM 950 CA LEU A 112 3.018 0.000 7.492 1.00 0.00 C ATOM 951 C LEU A 112 3.268 -1.447 7.716 1.00 0.00 C ATOM 952 O LEU A 112 4.400 -1.924 7.646 1.00 0.00 O ATOM 953 CB LEU A 112 1.975 0.111 6.381 1.00 0.00 C ATOM 954 CG LEU A 112 1.560 1.549 6.080 1.00 0.00 C ATOM 955 CD1 LEU A 112 0.731 1.675 4.802 1.00 0.00 C ATOM 956 CD2 LEU A 112 0.884 2.252 7.264 1.00 0.00 C ATOM 0 H LEU A 112 4.711 0.184 6.305 1.00 0.00 H new ATOM 0 HA LEU A 112 2.644 0.507 8.381 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.373 -0.342 5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.092 -0.463 6.663 1.00 0.00 H new ATOM 0 HG LEU A 112 2.497 2.078 5.905 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.466 2.720 4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.313 1.314 3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.178 1.081 4.898 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.616 3.269 6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.016 1.705 7.546 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.571 2.281 8.110 1.00 0.00 H new ATOM 968 N ASP A 113 2.171 -2.180 7.964 1.00 0.00 N ATOM 969 CA ASP A 113 2.253 -3.595 8.159 1.00 0.00 C ATOM 970 C ASP A 113 1.698 -4.244 6.931 1.00 0.00 C ATOM 971 O ASP A 113 0.969 -3.641 6.153 1.00 0.00 O ATOM 972 CB ASP A 113 1.481 -4.092 9.393 1.00 0.00 C ATOM 973 CG ASP A 113 1.981 -5.486 9.746 1.00 0.00 C ATOM 974 OD1 ASP A 113 3.121 -5.591 10.268 1.00 0.00 O ATOM 975 OD2 ASP A 113 1.249 -6.462 9.430 1.00 0.00 O ATOM 0 H ASP A 113 1.228 -1.796 8.030 1.00 0.00 H new ATOM 0 HA ASP A 113 3.297 -3.855 8.333 1.00 0.00 H new ATOM 0 HB2 ASP A 113 1.630 -3.412 10.232 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.411 -4.114 9.187 1.00 0.00 H new ATOM 980 N TRP A 114 2.067 -5.518 6.713 1.00 0.00 N ATOM 981 CA TRP A 114 1.592 -6.240 5.584 1.00 0.00 C ATOM 982 C TRP A 114 0.194 -6.713 5.873 1.00 0.00 C ATOM 983 O TRP A 114 -0.540 -7.097 4.973 1.00 0.00 O ATOM 984 CB TRP A 114 2.529 -7.430 5.303 1.00 0.00 C ATOM 985 CG TRP A 114 3.485 -7.185 4.159 1.00 0.00 C ATOM 986 CD1 TRP A 114 4.819 -7.438 4.014 1.00 0.00 C ATOM 987 CD2 TRP A 114 3.063 -6.550 2.957 1.00 0.00 C ATOM 988 NE1 TRP A 114 5.249 -6.984 2.778 1.00 0.00 N ATOM 989 CE2 TRP A 114 4.167 -6.445 2.109 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.821 -6.132 2.628 1.00 0.00 C ATOM 991 CZ2 TRP A 114 3.963 -5.896 0.857 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.617 -5.668 1.354 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.665 -5.601 0.459 1.00 0.00 C ATOM 0 H TRP A 114 2.694 -6.045 7.321 1.00 0.00 H new ATOM 0 HA TRP A 114 1.578 -5.603 4.700 1.00 0.00 H new ATOM 0 HB2 TRP A 114 3.101 -7.652 6.204 1.00 0.00 H new ATOM 0 HB3 TRP A 114 1.928 -8.312 5.082 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.444 -7.919 4.751 1.00 0.00 H new ATOM 0 HE1 TRP A 114 6.203 -7.038 2.422 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.015 -6.162 3.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.797 -5.700 0.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.630 -5.353 1.049 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.474 -5.315 -0.565 1.00 0.00 H new ATOM 1004 N ASN A 115 -0.253 -6.579 7.134 1.00 0.00 N ATOM 1005 CA ASN A 115 -1.584 -6.985 7.483 1.00 0.00 C ATOM 1006 C ASN A 115 -2.384 -5.740 7.699 1.00 0.00 C ATOM 1007 O ASN A 115 -3.402 -5.750 8.391 1.00 0.00 O ATOM 1008 CB ASN A 115 -1.564 -7.706 8.840 1.00 0.00 C ATOM 1009 CG ASN A 115 -2.607 -8.813 8.822 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -2.312 -9.958 8.482 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -3.846 -8.471 9.247 1.00 0.00 N ATOM 0 H ASN A 115 0.295 -6.196 7.904 1.00 0.00 H new ATOM 0 HA ASN A 115 -1.988 -7.629 6.702 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.575 -8.122 9.032 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.775 -7.002 9.645 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.581 -9.176 9.295 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.044 -7.508 9.519 1.00 0.00 H new ATOM 1018 N THR A 116 -1.925 -4.599 7.145 1.00 0.00 N ATOM 1019 CA THR A 116 -2.372 -3.345 7.667 1.00 0.00 C ATOM 1020 C THR A 116 -3.713 -2.998 7.077 1.00 0.00 C ATOM 1021 O THR A 116 -4.042 -3.363 5.948 1.00 0.00 O ATOM 1022 CB THR A 116 -1.327 -2.218 7.817 1.00 0.00 C ATOM 1023 OG1 THR A 116 -0.868 -2.154 9.159 1.00 0.00 O ATOM 1024 CG2 THR A 116 -1.870 -0.788 7.651 1.00 0.00 C ATOM 0 H THR A 116 -1.269 -4.544 6.365 1.00 0.00 H new ATOM 0 HA THR A 116 -2.532 -3.480 8.737 1.00 0.00 H new ATOM 0 HB THR A 116 -0.595 -2.472 7.050 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.330 -1.344 9.282 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.056 -0.073 7.775 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.303 -0.676 6.657 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.636 -0.600 8.403 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.540 -2.342 7.910 1.00 0.00 N ATOM 1033 CA ASP A 117 -5.839 -1.882 7.516 1.00 0.00 C ATOM 1034 C ASP A 117 -5.632 -0.675 6.656 1.00 0.00 C ATOM 1035 O ASP A 117 -5.560 0.437 7.163 1.00 0.00 O ATOM 1036 CB ASP A 117 -6.631 -1.467 8.773 1.00 0.00 C ATOM 1037 CG ASP A 117 -8.056 -1.123 8.369 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -8.768 -2.038 7.877 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -8.439 0.064 8.551 1.00 0.00 O ATOM 0 H ASP A 117 -4.303 -2.126 8.878 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.387 -2.660 6.985 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.632 -2.277 9.502 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -6.157 -0.609 9.250 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.648 -0.894 5.325 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.436 0.165 4.367 1.00 0.00 C ATOM 1046 C ALA A 118 -6.624 1.080 4.412 1.00 0.00 C ATOM 1047 O ALA A 118 -6.574 2.205 3.921 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.436 -0.536 3.001 1.00 0.00 C ATOM 0 H ALA A 118 -5.809 -1.810 4.905 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.523 0.729 4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.280 0.201 2.214 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -4.635 -1.274 2.971 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.394 -1.034 2.847 1.00 0.00 H new ATOM 1054 N ALA A 119 -7.686 0.644 5.113 1.00 0.00 N ATOM 1055 CA ALA A 119 -8.872 1.437 5.257 1.00 0.00 C ATOM 1056 C ALA A 119 -8.631 2.442 6.346 1.00 0.00 C ATOM 1057 O ALA A 119 -9.458 3.317 6.590 1.00 0.00 O ATOM 1058 CB ALA A 119 -9.791 0.329 5.801 1.00 0.00 C ATOM 0 H ALA A 119 -7.725 -0.261 5.582 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.223 1.979 4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.784 0.738 5.986 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.861 -0.477 5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.380 -0.060 6.733 1.00 0.00 H new ATOM 1064 N SER A 120 -7.441 2.388 6.976 1.00 0.00 N ATOM 1065 CA SER A 120 -7.094 3.364 7.969 1.00 0.00 C ATOM 1066 C SER A 120 -6.116 4.313 7.335 1.00 0.00 C ATOM 1067 O SER A 120 -5.844 5.388 7.866 1.00 0.00 O ATOM 1068 CB SER A 120 -6.445 2.745 9.215 1.00 0.00 C ATOM 1069 OG SER A 120 -7.398 1.964 9.925 1.00 0.00 O ATOM 0 H SER A 120 -6.728 1.680 6.802 1.00 0.00 H new ATOM 0 HA SER A 120 -8.006 3.860 8.301 1.00 0.00 H new ATOM 0 HB2 SER A 120 -5.599 2.123 8.923 1.00 0.00 H new ATOM 0 HB3 SER A 120 -6.055 3.532 9.860 1.00 0.00 H new ATOM 0 HG SER A 120 -7.477 1.082 9.504 1.00 0.00 H new ATOM 1075 N LEU A 121 -5.570 3.922 6.164 1.00 0.00 N ATOM 1076 CA LEU A 121 -4.663 4.770 5.436 1.00 0.00 C ATOM 1077 C LEU A 121 -5.424 5.288 4.279 1.00 0.00 C ATOM 1078 O LEU A 121 -4.855 5.749 3.290 1.00 0.00 O ATOM 1079 CB LEU A 121 -3.461 3.994 4.878 1.00 0.00 C ATOM 1080 CG LEU A 121 -2.681 3.237 5.953 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -2.628 3.998 7.277 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -3.286 1.870 6.265 1.00 0.00 C ATOM 0 H LEU A 121 -5.755 3.022 5.721 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.286 5.545 6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.811 3.287 4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.790 4.689 4.374 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.682 3.125 5.532 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.063 3.419 8.007 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.142 4.961 7.124 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.641 4.158 7.646 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.692 1.377 7.035 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.308 1.997 6.621 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.290 1.259 5.362 1.00 0.00 H new ATOM 1094 N ILE A 122 -6.753 5.175 4.392 1.00 0.00 N ATOM 1095 CA ILE A 122 -7.621 5.440 3.282 1.00 0.00 C ATOM 1096 C ILE A 122 -7.564 6.903 2.968 1.00 0.00 C ATOM 1097 O ILE A 122 -7.514 7.755 3.855 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.068 4.973 3.486 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -9.700 4.393 2.221 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -10.009 6.016 4.117 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.377 2.918 1.988 1.00 0.00 C ATOM 0 H ILE A 122 -7.233 4.901 5.249 1.00 0.00 H new ATOM 0 HA ILE A 122 -7.259 4.851 2.440 1.00 0.00 H new ATOM 0 HB ILE A 122 -8.960 4.173 4.218 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -10.782 4.513 2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -9.361 4.969 1.360 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -11.007 5.591 4.219 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -9.632 6.298 5.100 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.054 6.898 3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -9.861 2.580 1.072 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -8.298 2.792 1.896 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -9.741 2.328 2.829 1.00 0.00 H new ATOM 1113 N GLY A 123 -7.536 7.206 1.658 1.00 0.00 N ATOM 1114 CA GLY A 123 -7.613 8.567 1.205 1.00 0.00 C ATOM 1115 C GLY A 123 -6.214 9.094 1.058 1.00 0.00 C ATOM 1116 O GLY A 123 -6.016 10.271 0.768 1.00 0.00 O ATOM 0 H GLY A 123 -7.460 6.514 0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.141 8.621 0.253 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.174 9.173 1.916 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.199 8.213 1.184 1.00 0.00 N ATOM 1121 CA GLU A 124 -3.840 8.668 1.176 1.00 0.00 C ATOM 1122 C GLU A 124 -3.189 8.127 -0.064 1.00 0.00 C ATOM 1123 O GLU A 124 -3.853 7.781 -1.039 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.048 8.169 2.392 1.00 0.00 C ATOM 1125 CG GLU A 124 -3.783 8.362 3.725 1.00 0.00 C ATOM 1126 CD GLU A 124 -3.335 9.682 4.342 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -3.276 10.705 3.607 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -2.965 9.677 5.547 1.00 0.00 O ATOM 0 H GLU A 124 -5.316 7.205 1.289 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.842 9.758 1.206 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -2.824 7.110 2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.093 8.694 2.434 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -4.861 8.366 3.565 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.564 7.535 4.401 1.00 0.00 H new ATOM 1135 N GLU A 125 -1.845 8.050 -0.051 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.127 7.460 -1.143 1.00 0.00 C ATOM 1137 C GLU A 125 -0.116 6.545 -0.550 1.00 0.00 C ATOM 1138 O GLU A 125 0.553 6.898 0.422 1.00 0.00 O ATOM 1139 CB GLU A 125 -0.392 8.468 -2.032 1.00 0.00 C ATOM 1140 CG GLU A 125 -1.313 9.154 -3.043 1.00 0.00 C ATOM 1141 CD GLU A 125 -0.843 10.592 -3.226 1.00 0.00 C ATOM 1142 OE1 GLU A 125 -0.720 11.315 -2.197 1.00 0.00 O ATOM 1143 OE2 GLU A 125 -0.586 10.983 -4.394 1.00 0.00 O ATOM 0 H GLU A 125 -1.258 8.393 0.709 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.854 6.959 -1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 125 0.077 9.225 -1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.409 7.957 -2.566 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -1.292 8.624 -3.995 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -2.344 9.134 -2.690 1.00 0.00 H new ATOM 1150 N LEU A 126 0.001 5.335 -1.127 1.00 0.00 N ATOM 1151 CA LEU A 126 0.896 4.356 -0.588 1.00 0.00 C ATOM 1152 C LEU A 126 2.010 4.155 -1.563 1.00 0.00 C ATOM 1153 O LEU A 126 1.971 4.630 -2.696 1.00 0.00 O ATOM 1154 CB LEU A 126 0.258 2.989 -0.309 1.00 0.00 C ATOM 1155 CG LEU A 126 -0.460 2.916 1.039 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -1.902 3.402 0.983 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -0.308 1.560 1.728 1.00 0.00 C ATOM 0 H LEU A 126 -0.515 5.037 -1.954 1.00 0.00 H new ATOM 0 HA LEU A 126 1.231 4.744 0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.452 2.759 -1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 126 1.032 2.222 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 126 0.058 3.629 1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.351 3.323 1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -1.923 4.442 0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.465 2.790 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.840 1.573 2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.724 0.779 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.748 1.359 1.906 1.00 0.00 H new ATOM 1169 N GLN A 127 3.031 3.390 -1.130 1.00 0.00 N ATOM 1170 CA GLN A 127 4.124 3.054 -1.996 1.00 0.00 C ATOM 1171 C GLN A 127 4.712 1.785 -1.468 1.00 0.00 C ATOM 1172 O GLN A 127 4.512 1.433 -0.308 1.00 0.00 O ATOM 1173 CB GLN A 127 5.234 4.118 -2.026 1.00 0.00 C ATOM 1174 CG GLN A 127 6.202 3.977 -3.214 1.00 0.00 C ATOM 1175 CD GLN A 127 7.586 4.431 -2.766 1.00 0.00 C ATOM 1176 OE1 GLN A 127 7.861 5.628 -2.675 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.497 3.454 -2.528 1.00 0.00 N ATOM 0 H GLN A 127 3.101 3.006 -0.188 1.00 0.00 H new ATOM 0 HA GLN A 127 3.741 2.970 -3.013 1.00 0.00 H new ATOM 0 HB2 GLN A 127 4.775 5.106 -2.059 1.00 0.00 H new ATOM 0 HB3 GLN A 127 5.803 4.062 -1.098 1.00 0.00 H new ATOM 0 HG2 GLN A 127 6.235 2.942 -3.555 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.860 4.579 -4.055 1.00 0.00 H new ATOM 0 HE21 GLN A 127 8.228 2.474 -2.615 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.451 3.700 -2.263 1.00 0.00 H new ATOM 1186 N VAL A 128 5.455 1.065 -2.328 1.00 0.00 N ATOM 1187 CA VAL A 128 6.123 -0.125 -1.898 1.00 0.00 C ATOM 1188 C VAL A 128 7.588 0.100 -2.113 1.00 0.00 C ATOM 1189 O VAL A 128 7.992 0.851 -2.997 1.00 0.00 O ATOM 1190 CB VAL A 128 5.659 -1.375 -2.663 1.00 0.00 C ATOM 1191 CG1 VAL A 128 6.572 -2.591 -2.479 1.00 0.00 C ATOM 1192 CG2 VAL A 128 4.261 -1.846 -2.250 1.00 0.00 C ATOM 0 H VAL A 128 5.593 1.303 -3.310 1.00 0.00 H new ATOM 0 HA VAL A 128 5.890 -0.313 -0.850 1.00 0.00 H new ATOM 0 HB VAL A 128 5.676 -1.038 -3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 128 6.178 -3.432 -3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.574 -2.350 -2.833 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.615 -2.857 -1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.991 -2.731 -2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.258 -2.089 -1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.538 -1.053 -2.443 1.00 0.00 H new ATOM 1202 N ASP A 129 8.421 -0.514 -1.252 1.00 0.00 N ATOM 1203 CA ASP A 129 9.842 -0.365 -1.369 1.00 0.00 C ATOM 1204 C ASP A 129 10.447 -1.674 -0.968 1.00 0.00 C ATOM 1205 O ASP A 129 9.741 -2.646 -0.707 1.00 0.00 O ATOM 1206 CB ASP A 129 10.389 0.745 -0.451 1.00 0.00 C ATOM 1207 CG ASP A 129 11.275 1.659 -1.285 1.00 0.00 C ATOM 1208 OD1 ASP A 129 12.254 1.140 -1.883 1.00 0.00 O ATOM 1209 OD2 ASP A 129 10.962 2.876 -1.364 1.00 0.00 O ATOM 0 H ASP A 129 8.116 -1.108 -0.481 1.00 0.00 H new ATOM 0 HA ASP A 129 10.093 -0.086 -2.392 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.569 1.311 -0.009 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.958 0.312 0.372 1.00 0.00 H new ATOM 1214 N PHE A 130 11.791 -1.729 -0.880 1.00 0.00 N ATOM 1215 CA PHE A 130 12.444 -2.952 -0.512 1.00 0.00 C ATOM 1216 C PHE A 130 12.359 -3.082 0.986 1.00 0.00 C ATOM 1217 O PHE A 130 11.995 -2.138 1.688 1.00 0.00 O ATOM 1218 CB PHE A 130 13.915 -3.038 -0.963 1.00 0.00 C ATOM 1219 CG PHE A 130 14.534 -1.687 -0.805 1.00 0.00 C ATOM 1220 CD1 PHE A 130 15.079 -1.290 0.421 1.00 0.00 C ATOM 1221 CD2 PHE A 130 14.646 -0.818 -1.880 1.00 0.00 C ATOM 1222 CE1 PHE A 130 15.687 -0.057 0.562 1.00 0.00 C ATOM 1223 CE2 PHE A 130 15.259 0.416 -1.736 1.00 0.00 C ATOM 1224 CZ PHE A 130 15.776 0.799 -0.517 1.00 0.00 C ATOM 0 H PHE A 130 12.416 -0.943 -1.060 1.00 0.00 H new ATOM 0 HA PHE A 130 11.935 -3.769 -1.024 1.00 0.00 H new ATOM 0 HB2 PHE A 130 14.453 -3.774 -0.366 1.00 0.00 H new ATOM 0 HB3 PHE A 130 13.975 -3.364 -2.001 1.00 0.00 H new ATOM 0 HD1 PHE A 130 15.024 -1.956 1.269 1.00 0.00 H new ATOM 0 HD2 PHE A 130 14.250 -1.107 -2.842 1.00 0.00 H new ATOM 0 HE1 PHE A 130 16.093 0.237 1.518 1.00 0.00 H new ATOM 0 HE2 PHE A 130 15.332 1.081 -2.583 1.00 0.00 H new ATOM 0 HZ PHE A 130 16.248 1.764 -0.407 1.00 0.00 H new