USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 700 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 118 THR OG1 : rot 129:sc= -0.308! USER MOD Set 1.2: A 123 HIS : no HD1:sc= -10.7! C(o=-11!,f=-23!) USER MOD Set 2.1: A 89 SER OG : rot -121:sc= 0.582 USER MOD Set 2.2: A 95 GLN : amide:sc= -2.41! C(o=-1.8!,f=-1.4!) USER MOD Set 3.1: A 52 MET CE :methyl -178:sc= -6.4! (180deg=-6.47!) USER MOD Set 3.2: A 55 MET CE :methyl 178:sc= -0.0224 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -1.82! C(o=-1.8!,f=-2.2!) USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.00564) USER MOD Single : A 42 HIS : no HD1:sc= -0.534 X(o=-0.53,f=-0.83) USER MOD Single : A 45 CYS SG : rot 117:sc= -2.09! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -6.84! C(o=-6.8!,f=-12!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.42 K(o=-1.4,f=-3.7!) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.967 F(o=-2.7!,f=-0.97) USER MOD Single : A 71 TYR OH : rot 150:sc= -0.0924 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.398 X(o=-0.4,f=-0.085) USER MOD Single : A 85 MET CE :methyl 158:sc= -2.06 (180deg=-2.54) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.197! USER MOD Single : A 90 MET CE :methyl 147:sc= -0.469 (180deg=-1.72) USER MOD Single : A 112 THR OG1 : rot -68:sc= -2.35! USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -149:sc= 0.0393 (180deg=-0.522) USER MOD Single : A 122 TYR OH : rot 0:sc= 0.37 USER MOD Single : A 126 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 171:sc= -0.0296 (180deg=-0.102) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 36 -0.093 -18.752 -11.987 1.00 0.00 N ATOM 2 CA ASN A 36 0.496 -18.172 -13.228 1.00 0.00 C ATOM 3 C ASN A 36 -0.365 -17.015 -13.734 1.00 0.00 C ATOM 4 O ASN A 36 -0.877 -17.034 -14.832 1.00 0.00 O ATOM 5 CB ASN A 36 0.505 -19.312 -14.242 1.00 0.00 C ATOM 6 CG ASN A 36 1.199 -18.836 -15.520 1.00 0.00 C ATOM 7 OD1 ASN A 36 2.338 -19.176 -15.772 1.00 0.00 O ATOM 8 ND2 ASN A 36 0.550 -18.057 -16.339 1.00 0.00 N ATOM 0 HA ASN A 36 1.496 -17.774 -13.056 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.025 -20.177 -13.831 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.515 -19.628 -14.462 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.998 -17.731 -17.195 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.406 -17.774 -16.124 1.00 0.00 H new ATOM 15 N ALA A 37 -0.564 -16.021 -12.931 1.00 0.00 N ATOM 16 CA ALA A 37 -1.416 -14.891 -13.373 1.00 0.00 C ATOM 17 C ALA A 37 -0.780 -13.555 -12.991 1.00 0.00 C ATOM 18 O ALA A 37 0.118 -13.494 -12.174 1.00 0.00 O ATOM 19 CB ALA A 37 -2.724 -15.110 -12.630 1.00 0.00 C ATOM 0 H ALA A 37 -0.177 -15.939 -11.991 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.552 -14.858 -14.454 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.428 -14.320 -12.891 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.144 -16.076 -12.909 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.540 -15.091 -11.556 1.00 0.00 H new ATOM 25 N VAL A 38 -1.236 -12.483 -13.576 1.00 0.00 N ATOM 26 CA VAL A 38 -0.652 -11.155 -13.247 1.00 0.00 C ATOM 27 C VAL A 38 -1.757 -10.100 -13.150 1.00 0.00 C ATOM 28 O VAL A 38 -2.741 -10.151 -13.862 1.00 0.00 O ATOM 29 CB VAL A 38 0.294 -10.844 -14.407 1.00 0.00 C ATOM 30 CG1 VAL A 38 1.296 -11.987 -14.565 1.00 0.00 C ATOM 31 CG2 VAL A 38 -0.509 -10.689 -15.702 1.00 0.00 C ATOM 0 H VAL A 38 -1.987 -12.470 -14.266 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.134 -11.155 -12.288 1.00 0.00 H new ATOM 0 HB VAL A 38 0.826 -9.916 -14.199 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.971 -11.767 -15.392 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.871 -12.096 -13.646 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.761 -12.914 -14.770 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.169 -10.467 -16.526 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.044 -11.615 -15.911 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.224 -9.874 -15.591 1.00 0.00 H new ATOM 41 N LYS A 39 -1.598 -9.137 -12.283 1.00 0.00 N ATOM 42 CA LYS A 39 -2.639 -8.074 -12.156 1.00 0.00 C ATOM 43 C LYS A 39 -2.186 -6.820 -12.903 1.00 0.00 C ATOM 44 O LYS A 39 -1.074 -6.362 -12.739 1.00 0.00 O ATOM 45 CB LYS A 39 -2.756 -7.802 -10.655 1.00 0.00 C ATOM 46 CG LYS A 39 -3.880 -6.796 -10.400 1.00 0.00 C ATOM 47 CD LYS A 39 -4.253 -6.815 -8.917 1.00 0.00 C ATOM 48 CE LYS A 39 -5.033 -5.545 -8.571 1.00 0.00 C ATOM 49 NZ LYS A 39 -3.990 -4.530 -8.254 1.00 0.00 N ATOM 0 H LYS A 39 -0.797 -9.039 -11.659 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.597 -8.373 -12.581 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.958 -8.731 -10.122 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.813 -7.413 -10.271 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.561 -5.796 -10.693 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.750 -7.044 -11.008 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.854 -7.696 -8.694 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.353 -6.880 -8.305 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.656 -5.224 -9.406 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.697 -5.708 -7.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.396 -3.576 -8.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.648 -4.675 -7.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.196 -4.628 -8.919 1.00 0.00 H new ATOM 63 N VAL A 40 -3.026 -6.267 -13.735 1.00 0.00 N ATOM 64 CA VAL A 40 -2.602 -5.051 -14.495 1.00 0.00 C ATOM 65 C VAL A 40 -3.645 -3.930 -14.407 1.00 0.00 C ATOM 66 O VAL A 40 -4.832 -4.166 -14.300 1.00 0.00 O ATOM 67 CB VAL A 40 -2.443 -5.529 -15.939 1.00 0.00 C ATOM 68 CG1 VAL A 40 -2.423 -4.327 -16.887 1.00 0.00 C ATOM 69 CG2 VAL A 40 -1.129 -6.303 -16.072 1.00 0.00 C ATOM 0 H VAL A 40 -3.973 -6.596 -13.921 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.682 -4.629 -14.090 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.281 -6.176 -16.199 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.309 -4.675 -17.914 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.357 -3.774 -16.793 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.588 -3.675 -16.631 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.011 -6.646 -17.100 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.295 -5.652 -15.809 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.144 -7.163 -15.402 1.00 0.00 H new ATOM 79 N ARG A 41 -3.191 -2.704 -14.466 1.00 0.00 N ATOM 80 CA ARG A 41 -4.118 -1.533 -14.402 1.00 0.00 C ATOM 81 C ARG A 41 -3.640 -0.466 -15.393 1.00 0.00 C ATOM 82 O ARG A 41 -2.491 -0.074 -15.377 1.00 0.00 O ATOM 83 CB ARG A 41 -4.010 -1.020 -12.965 1.00 0.00 C ATOM 84 CG ARG A 41 -4.641 -2.036 -12.011 1.00 0.00 C ATOM 85 CD ARG A 41 -5.138 -1.318 -10.753 1.00 0.00 C ATOM 86 NE ARG A 41 -6.086 -2.275 -10.119 1.00 0.00 N ATOM 87 CZ ARG A 41 -6.800 -1.905 -9.092 1.00 0.00 C ATOM 88 NH1 ARG A 41 -7.205 -0.668 -8.991 1.00 0.00 N ATOM 89 NH2 ARG A 41 -7.109 -2.772 -8.165 1.00 0.00 N ATOM 0 H ARG A 41 -2.204 -2.461 -14.557 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.146 -1.788 -14.658 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.964 -0.860 -12.703 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.513 -0.057 -12.873 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.470 -2.546 -12.502 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.911 -2.800 -11.742 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.313 -1.076 -10.083 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.632 -0.379 -11.002 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.177 -3.221 -10.488 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.963 0.009 -9.715 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.763 -0.378 -8.188 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.792 -3.738 -8.244 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.667 -2.483 -7.362 1.00 0.00 H new ATOM 103 N HIS A 42 -4.488 -0.008 -16.278 1.00 0.00 N ATOM 104 CA HIS A 42 -4.023 1.004 -17.273 1.00 0.00 C ATOM 105 C HIS A 42 -5.113 2.022 -17.615 1.00 0.00 C ATOM 106 O HIS A 42 -6.217 1.970 -17.116 1.00 0.00 O ATOM 107 CB HIS A 42 -3.656 0.174 -18.510 1.00 0.00 C ATOM 108 CG HIS A 42 -4.859 -0.036 -19.397 1.00 0.00 C ATOM 109 ND1 HIS A 42 -5.036 0.671 -20.578 1.00 0.00 N ATOM 110 CD2 HIS A 42 -5.947 -0.870 -19.295 1.00 0.00 C ATOM 111 CE1 HIS A 42 -6.189 0.255 -21.134 1.00 0.00 C ATOM 112 NE2 HIS A 42 -6.784 -0.684 -20.392 1.00 0.00 N ATOM 0 H HIS A 42 -5.467 -0.285 -16.355 1.00 0.00 H new ATOM 0 HA HIS A 42 -3.190 1.592 -16.887 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -2.870 0.679 -19.071 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.256 -0.791 -18.199 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -6.125 -1.564 -18.487 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.585 0.633 -22.065 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -7.663 -1.162 -20.588 1.00 0.00 H new ATOM 120 N ILE A 43 -4.804 2.930 -18.499 1.00 0.00 N ATOM 121 CA ILE A 43 -5.803 3.943 -18.931 1.00 0.00 C ATOM 122 C ILE A 43 -5.690 4.127 -20.447 1.00 0.00 C ATOM 123 O ILE A 43 -4.603 4.156 -21.004 1.00 0.00 O ATOM 124 CB ILE A 43 -5.456 5.235 -18.185 1.00 0.00 C ATOM 125 CG1 ILE A 43 -4.013 5.642 -18.487 1.00 0.00 C ATOM 126 CG2 ILE A 43 -5.613 5.013 -16.681 1.00 0.00 C ATOM 127 CD1 ILE A 43 -3.856 7.156 -18.329 1.00 0.00 C ATOM 0 H ILE A 43 -3.890 3.013 -18.945 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.827 3.645 -18.707 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.129 6.027 -18.513 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.331 5.124 -17.812 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.746 5.344 -19.501 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.366 5.932 -16.150 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.643 4.732 -16.460 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.942 4.216 -16.359 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.826 7.440 -18.545 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.526 7.666 -19.022 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.104 7.443 -17.307 1.00 0.00 H new ATOM 139 N LEU A 44 -6.809 4.230 -21.114 1.00 0.00 N ATOM 140 CA LEU A 44 -6.795 4.392 -22.595 1.00 0.00 C ATOM 141 C LEU A 44 -7.087 5.845 -22.975 1.00 0.00 C ATOM 142 O LEU A 44 -8.073 6.419 -22.560 1.00 0.00 O ATOM 143 CB LEU A 44 -7.914 3.476 -23.095 1.00 0.00 C ATOM 144 CG LEU A 44 -7.515 2.851 -24.432 1.00 0.00 C ATOM 145 CD1 LEU A 44 -8.718 2.122 -25.032 1.00 0.00 C ATOM 146 CD2 LEU A 44 -7.062 3.951 -25.391 1.00 0.00 C ATOM 0 H LEU A 44 -7.738 4.209 -20.692 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.828 4.140 -23.030 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.110 2.694 -22.362 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.837 4.044 -23.210 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.700 2.144 -24.274 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.435 1.676 -25.985 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.047 1.339 -24.349 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.531 2.831 -25.190 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.777 3.507 -26.345 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.879 4.656 -25.548 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.207 4.476 -24.965 1.00 0.00 H new ATOM 158 N CYS A 45 -6.239 6.443 -23.767 1.00 0.00 N ATOM 159 CA CYS A 45 -6.471 7.857 -24.179 1.00 0.00 C ATOM 160 C CYS A 45 -6.240 8.010 -25.685 1.00 0.00 C ATOM 161 O CYS A 45 -5.765 7.107 -26.343 1.00 0.00 O ATOM 162 CB CYS A 45 -5.449 8.676 -23.392 1.00 0.00 C ATOM 163 SG CYS A 45 -3.808 7.944 -23.591 1.00 0.00 S ATOM 0 H CYS A 45 -5.395 6.013 -24.147 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.491 8.184 -23.978 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.444 9.707 -23.745 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.722 8.701 -22.337 1.00 0.00 H new ATOM 0 HG CYS A 45 -3.025 8.790 -24.192 1.00 0.00 H new ATOM 169 N GLU A 46 -6.574 9.146 -26.235 1.00 0.00 N ATOM 170 CA GLU A 46 -6.380 9.357 -27.701 1.00 0.00 C ATOM 171 C GLU A 46 -4.896 9.251 -28.070 1.00 0.00 C ATOM 172 O GLU A 46 -4.037 9.174 -27.213 1.00 0.00 O ATOM 173 CB GLU A 46 -6.903 10.768 -27.969 1.00 0.00 C ATOM 174 CG GLU A 46 -8.378 10.846 -27.578 1.00 0.00 C ATOM 175 CD GLU A 46 -9.195 9.939 -28.497 1.00 0.00 C ATOM 176 OE1 GLU A 46 -8.991 10.008 -29.698 1.00 0.00 O ATOM 177 OE2 GLU A 46 -10.009 9.187 -27.986 1.00 0.00 O ATOM 0 H GLU A 46 -6.973 9.939 -25.733 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.902 8.607 -28.296 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.326 11.496 -27.399 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.781 11.019 -29.023 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.507 10.541 -26.539 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.732 11.874 -27.655 1.00 0.00 H new ATOM 184 N LYS A 47 -4.586 9.237 -29.342 1.00 0.00 N ATOM 185 CA LYS A 47 -3.157 9.124 -29.757 1.00 0.00 C ATOM 186 C LYS A 47 -2.711 10.381 -30.512 1.00 0.00 C ATOM 187 O LYS A 47 -2.675 10.399 -31.726 1.00 0.00 O ATOM 188 CB LYS A 47 -3.113 7.902 -30.679 1.00 0.00 C ATOM 189 CG LYS A 47 -1.790 7.878 -31.448 1.00 0.00 C ATOM 190 CD LYS A 47 -2.073 7.841 -32.950 1.00 0.00 C ATOM 191 CE LYS A 47 -0.787 8.158 -33.716 1.00 0.00 C ATOM 192 NZ LYS A 47 -1.175 8.149 -35.156 1.00 0.00 N ATOM 0 H LYS A 47 -5.258 9.299 -30.107 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.489 9.021 -28.902 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.220 6.989 -30.093 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.949 7.932 -31.377 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.197 8.759 -31.201 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.203 7.007 -31.156 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.448 6.858 -33.237 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.848 8.564 -33.203 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.384 9.127 -33.423 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.015 7.416 -33.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.341 8.359 -35.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.549 7.212 -35.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.906 8.870 -35.323 1.00 0.00 H new ATOM 206 N HIS A 48 -2.381 11.438 -29.813 1.00 0.00 N ATOM 207 CA HIS A 48 -1.964 12.686 -30.519 1.00 0.00 C ATOM 208 C HIS A 48 -0.709 13.311 -29.889 1.00 0.00 C ATOM 209 O HIS A 48 -0.738 14.421 -29.399 1.00 0.00 O ATOM 210 CB HIS A 48 -3.164 13.619 -30.371 1.00 0.00 C ATOM 211 CG HIS A 48 -4.409 12.870 -30.761 1.00 0.00 C ATOM 212 ND1 HIS A 48 -4.439 12.016 -31.851 1.00 0.00 N ATOM 213 CD2 HIS A 48 -5.660 12.811 -30.206 1.00 0.00 C ATOM 214 CE1 HIS A 48 -5.669 11.482 -31.915 1.00 0.00 C ATOM 215 NE2 HIS A 48 -6.457 11.935 -30.937 1.00 0.00 N ATOM 0 H HIS A 48 -2.382 11.491 -28.794 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.700 12.493 -31.559 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -3.243 13.973 -29.343 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.039 14.499 -31.003 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -3.666 11.827 -32.490 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.979 13.361 -29.333 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -5.983 10.772 -32.666 1.00 0.00 H new ATOM 223 N GLY A 49 0.397 12.613 -29.923 1.00 0.00 N ATOM 224 CA GLY A 49 1.665 13.167 -29.353 1.00 0.00 C ATOM 225 C GLY A 49 1.510 13.477 -27.859 1.00 0.00 C ATOM 226 O GLY A 49 2.365 14.095 -27.257 1.00 0.00 O ATOM 0 H GLY A 49 0.478 11.678 -30.323 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.475 12.452 -29.497 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.942 14.075 -29.889 1.00 0.00 H new ATOM 230 N LYS A 50 0.436 13.056 -27.254 1.00 0.00 N ATOM 231 CA LYS A 50 0.240 13.332 -25.803 1.00 0.00 C ATOM 232 C LYS A 50 0.852 12.210 -24.956 1.00 0.00 C ATOM 233 O LYS A 50 0.599 12.109 -23.772 1.00 0.00 O ATOM 234 CB LYS A 50 -1.277 13.376 -25.621 1.00 0.00 C ATOM 235 CG LYS A 50 -1.619 13.902 -24.226 1.00 0.00 C ATOM 236 CD LYS A 50 -3.134 13.849 -24.023 1.00 0.00 C ATOM 237 CE LYS A 50 -3.819 14.754 -25.050 1.00 0.00 C ATOM 238 NZ LYS A 50 -5.273 14.469 -24.904 1.00 0.00 N ATOM 0 H LYS A 50 -0.316 12.532 -27.701 1.00 0.00 H new ATOM 0 HA LYS A 50 0.721 14.258 -25.488 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.725 14.017 -26.381 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.697 12.379 -25.757 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.118 13.303 -23.466 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.261 14.925 -24.113 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.490 12.825 -24.130 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.388 14.170 -23.013 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.601 15.805 -24.858 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.474 14.537 -26.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.810 15.053 -25.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.451 13.463 -25.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.575 14.692 -23.934 1.00 0.00 H new ATOM 252 N ILE A 51 1.653 11.364 -25.551 1.00 0.00 N ATOM 253 CA ILE A 51 2.272 10.250 -24.769 1.00 0.00 C ATOM 254 C ILE A 51 3.211 10.804 -23.695 1.00 0.00 C ATOM 255 O ILE A 51 3.240 10.329 -22.577 1.00 0.00 O ATOM 256 CB ILE A 51 3.073 9.431 -25.784 1.00 0.00 C ATOM 257 CG1 ILE A 51 2.123 8.746 -26.767 1.00 0.00 C ATOM 258 CG2 ILE A 51 3.882 8.365 -25.044 1.00 0.00 C ATOM 259 CD1 ILE A 51 2.937 8.027 -27.845 1.00 0.00 C ATOM 0 H ILE A 51 1.905 11.395 -26.539 1.00 0.00 H new ATOM 0 HA ILE A 51 1.515 9.651 -24.262 1.00 0.00 H new ATOM 0 HB ILE A 51 3.742 10.094 -26.332 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.488 8.034 -26.240 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.463 9.483 -27.225 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.455 7.779 -25.763 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.564 8.847 -24.344 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.205 7.708 -24.498 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.261 7.538 -28.546 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.553 8.751 -28.379 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.578 7.279 -27.378 1.00 0.00 H new ATOM 271 N MET A 52 3.995 11.790 -24.032 1.00 0.00 N ATOM 272 CA MET A 52 4.952 12.362 -23.040 1.00 0.00 C ATOM 273 C MET A 52 4.215 13.120 -21.929 1.00 0.00 C ATOM 274 O MET A 52 4.536 12.991 -20.765 1.00 0.00 O ATOM 275 CB MET A 52 5.828 13.322 -23.846 1.00 0.00 C ATOM 276 CG MET A 52 6.654 12.534 -24.863 1.00 0.00 C ATOM 277 SD MET A 52 7.861 11.506 -23.989 1.00 0.00 S ATOM 278 CE MET A 52 6.959 9.943 -24.115 1.00 0.00 C ATOM 0 H MET A 52 4.015 12.226 -24.954 1.00 0.00 H new ATOM 0 HA MET A 52 5.532 11.582 -22.546 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.205 14.055 -24.359 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.488 13.876 -23.178 1.00 0.00 H new ATOM 0 HG2 MET A 52 6.001 11.909 -25.473 1.00 0.00 H new ATOM 0 HG3 MET A 52 7.165 13.218 -25.541 1.00 0.00 H new ATOM 0 HE1 MET A 52 7.515 9.159 -23.601 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.977 10.052 -23.656 1.00 0.00 H new ATOM 0 HE3 MET A 52 6.841 9.675 -25.165 1.00 0.00 H new ATOM 288 N GLU A 53 3.244 13.921 -22.273 1.00 0.00 N ATOM 289 CA GLU A 53 2.517 14.688 -21.220 1.00 0.00 C ATOM 290 C GLU A 53 1.645 13.756 -20.375 1.00 0.00 C ATOM 291 O GLU A 53 1.536 13.915 -19.175 1.00 0.00 O ATOM 292 CB GLU A 53 1.651 15.696 -21.976 1.00 0.00 C ATOM 293 CG GLU A 53 0.988 16.644 -20.973 1.00 0.00 C ATOM 294 CD GLU A 53 0.524 17.912 -21.692 1.00 0.00 C ATOM 295 OE1 GLU A 53 1.058 18.198 -22.751 1.00 0.00 O ATOM 296 OE2 GLU A 53 -0.355 18.578 -21.170 1.00 0.00 O ATOM 0 H GLU A 53 2.924 14.077 -23.229 1.00 0.00 H new ATOM 0 HA GLU A 53 3.205 15.180 -20.532 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.261 16.262 -22.680 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.891 15.175 -22.559 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.139 16.152 -20.499 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.691 16.900 -20.180 1.00 0.00 H new ATOM 303 N ALA A 54 1.019 12.788 -20.985 1.00 0.00 N ATOM 304 CA ALA A 54 0.154 11.860 -20.201 1.00 0.00 C ATOM 305 C ALA A 54 0.998 11.058 -19.208 1.00 0.00 C ATOM 306 O ALA A 54 0.712 11.023 -18.027 1.00 0.00 O ATOM 307 CB ALA A 54 -0.482 10.930 -21.232 1.00 0.00 C ATOM 0 H ALA A 54 1.068 12.599 -21.986 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.597 12.397 -19.621 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.134 10.218 -20.726 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.067 11.517 -21.940 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.300 10.390 -21.766 1.00 0.00 H new ATOM 313 N MET A 55 2.033 10.416 -19.673 1.00 0.00 N ATOM 314 CA MET A 55 2.885 9.623 -18.744 1.00 0.00 C ATOM 315 C MET A 55 3.579 10.557 -17.748 1.00 0.00 C ATOM 316 O MET A 55 3.774 10.216 -16.598 1.00 0.00 O ATOM 317 CB MET A 55 3.898 8.906 -19.641 1.00 0.00 C ATOM 318 CG MET A 55 5.025 9.866 -20.028 1.00 0.00 C ATOM 319 SD MET A 55 6.037 9.117 -21.327 1.00 0.00 S ATOM 320 CE MET A 55 7.617 9.841 -20.828 1.00 0.00 C ATOM 0 H MET A 55 2.325 10.406 -20.650 1.00 0.00 H new ATOM 0 HA MET A 55 2.311 8.910 -18.152 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.309 8.041 -19.121 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.403 8.533 -20.538 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.608 10.811 -20.376 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.641 10.091 -19.157 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.407 9.478 -21.485 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.558 10.927 -20.897 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.840 9.555 -19.800 1.00 0.00 H new ATOM 330 N GLU A 56 3.935 11.741 -18.172 1.00 0.00 N ATOM 331 CA GLU A 56 4.593 12.693 -17.234 1.00 0.00 C ATOM 332 C GLU A 56 3.670 12.938 -16.040 1.00 0.00 C ATOM 333 O GLU A 56 4.085 12.889 -14.899 1.00 0.00 O ATOM 334 CB GLU A 56 4.791 13.980 -18.037 1.00 0.00 C ATOM 335 CG GLU A 56 5.508 15.019 -17.171 1.00 0.00 C ATOM 336 CD GLU A 56 6.867 14.471 -16.733 1.00 0.00 C ATOM 337 OE1 GLU A 56 7.709 14.275 -17.593 1.00 0.00 O ATOM 338 OE2 GLU A 56 7.044 14.259 -15.544 1.00 0.00 O ATOM 0 H GLU A 56 3.799 12.087 -19.122 1.00 0.00 H new ATOM 0 HA GLU A 56 5.541 12.318 -16.847 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.374 13.775 -18.935 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.827 14.368 -18.365 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.641 15.945 -17.731 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.903 15.259 -16.297 1.00 0.00 H new ATOM 345 N LYS A 57 2.413 13.182 -16.297 1.00 0.00 N ATOM 346 CA LYS A 57 1.454 13.409 -15.178 1.00 0.00 C ATOM 347 C LYS A 57 1.276 12.104 -14.395 1.00 0.00 C ATOM 348 O LYS A 57 1.086 12.106 -13.195 1.00 0.00 O ATOM 349 CB LYS A 57 0.146 13.824 -15.854 1.00 0.00 C ATOM 350 CG LYS A 57 -0.779 14.470 -14.821 1.00 0.00 C ATOM 351 CD LYS A 57 -2.122 14.804 -15.474 1.00 0.00 C ATOM 352 CE LYS A 57 -2.612 16.165 -14.973 1.00 0.00 C ATOM 353 NZ LYS A 57 -3.724 16.536 -15.891 1.00 0.00 N ATOM 0 H LYS A 57 2.009 13.234 -17.232 1.00 0.00 H new ATOM 0 HA LYS A 57 1.794 14.167 -14.473 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.349 14.524 -16.664 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.338 12.954 -16.298 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.930 13.794 -13.980 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.321 15.376 -14.423 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.016 14.821 -16.559 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.855 14.033 -15.237 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.956 16.105 -13.940 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.814 16.906 -15.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.112 17.459 -15.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.365 16.592 -16.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.472 15.816 -15.839 1.00 0.00 H new ATOM 367 N LEU A 58 1.354 10.990 -15.073 1.00 0.00 N ATOM 368 CA LEU A 58 1.210 9.677 -14.381 1.00 0.00 C ATOM 369 C LEU A 58 2.488 9.380 -13.590 1.00 0.00 C ATOM 370 O LEU A 58 2.527 8.489 -12.764 1.00 0.00 O ATOM 371 CB LEU A 58 0.999 8.664 -15.522 1.00 0.00 C ATOM 372 CG LEU A 58 1.533 7.276 -15.139 1.00 0.00 C ATOM 373 CD1 LEU A 58 0.537 6.571 -14.219 1.00 0.00 C ATOM 374 CD2 LEU A 58 1.724 6.442 -16.407 1.00 0.00 C ATOM 0 H LEU A 58 1.512 10.933 -16.079 1.00 0.00 H new ATOM 0 HA LEU A 58 0.387 9.647 -13.667 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.063 8.595 -15.759 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.504 9.015 -16.422 1.00 0.00 H new ATOM 0 HG LEU A 58 2.485 7.388 -14.620 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.922 5.587 -13.951 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.395 7.163 -13.315 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.417 6.459 -14.734 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.103 5.456 -16.140 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.768 6.337 -16.921 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.437 6.939 -17.065 1.00 0.00 H new ATOM 386 N LYS A 59 3.532 10.122 -13.843 1.00 0.00 N ATOM 387 CA LYS A 59 4.815 9.893 -13.117 1.00 0.00 C ATOM 388 C LYS A 59 4.550 9.592 -11.642 1.00 0.00 C ATOM 389 O LYS A 59 3.655 10.150 -11.036 1.00 0.00 O ATOM 390 CB LYS A 59 5.580 11.209 -13.252 1.00 0.00 C ATOM 391 CG LYS A 59 7.029 11.013 -12.796 1.00 0.00 C ATOM 392 CD LYS A 59 7.736 10.032 -13.732 1.00 0.00 C ATOM 393 CE LYS A 59 9.248 10.127 -13.520 1.00 0.00 C ATOM 394 NZ LYS A 59 9.847 9.471 -14.715 1.00 0.00 N ATOM 0 H LYS A 59 3.552 10.881 -14.525 1.00 0.00 H new ATOM 0 HA LYS A 59 5.368 9.045 -13.521 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.557 11.549 -14.287 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.101 11.982 -12.652 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.552 11.969 -12.794 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.051 10.635 -11.774 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.394 9.016 -13.537 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.488 10.259 -14.769 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.570 11.165 -13.437 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.550 9.625 -12.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.884 9.497 -14.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.528 8.482 -14.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.548 9.975 -15.574 1.00 0.00 H new ATOM 408 N SER A 60 5.332 8.732 -11.052 1.00 0.00 N ATOM 409 CA SER A 60 5.126 8.424 -9.611 1.00 0.00 C ATOM 410 C SER A 60 5.048 9.734 -8.830 1.00 0.00 C ATOM 411 O SER A 60 5.638 10.728 -9.206 1.00 0.00 O ATOM 412 CB SER A 60 6.353 7.617 -9.189 1.00 0.00 C ATOM 413 OG SER A 60 7.496 8.462 -9.198 1.00 0.00 O ATOM 0 H SER A 60 6.099 8.233 -11.502 1.00 0.00 H new ATOM 0 HA SER A 60 4.206 7.870 -9.424 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.203 7.199 -8.193 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.502 6.777 -9.868 1.00 0.00 H new ATOM 0 HG SER A 60 8.285 7.948 -8.926 1.00 0.00 H new ATOM 419 N GLY A 61 4.309 9.757 -7.759 1.00 0.00 N ATOM 420 CA GLY A 61 4.182 11.016 -6.977 1.00 0.00 C ATOM 421 C GLY A 61 2.849 11.671 -7.332 1.00 0.00 C ATOM 422 O GLY A 61 2.118 12.121 -6.472 1.00 0.00 O ATOM 0 H GLY A 61 3.788 8.961 -7.391 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.228 10.805 -5.909 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.008 11.689 -7.205 1.00 0.00 H new ATOM 426 N MET A 62 2.519 11.714 -8.596 1.00 0.00 N ATOM 427 CA MET A 62 1.222 12.323 -8.999 1.00 0.00 C ATOM 428 C MET A 62 0.088 11.330 -8.737 1.00 0.00 C ATOM 429 O MET A 62 0.317 10.159 -8.506 1.00 0.00 O ATOM 430 CB MET A 62 1.362 12.611 -10.493 1.00 0.00 C ATOM 431 CG MET A 62 2.493 13.618 -10.711 1.00 0.00 C ATOM 432 SD MET A 62 2.014 15.222 -10.019 1.00 0.00 S ATOM 433 CE MET A 62 3.563 15.567 -9.148 1.00 0.00 C ATOM 0 H MET A 62 3.090 11.355 -9.362 1.00 0.00 H new ATOM 0 HA MET A 62 0.991 13.230 -8.440 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.572 11.689 -11.035 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.426 13.007 -10.888 1.00 0.00 H new ATOM 0 HG2 MET A 62 3.407 13.263 -10.235 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.705 13.718 -11.775 1.00 0.00 H new ATOM 0 HE1 MET A 62 3.488 16.529 -8.640 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.750 14.783 -8.414 1.00 0.00 H new ATOM 0 HE3 MET A 62 4.384 15.598 -9.864 1.00 0.00 H new ATOM 443 N ARG A 63 -1.132 11.785 -8.761 1.00 0.00 N ATOM 444 CA ARG A 63 -2.276 10.864 -8.500 1.00 0.00 C ATOM 445 C ARG A 63 -2.484 9.907 -9.678 1.00 0.00 C ATOM 446 O ARG A 63 -3.092 10.257 -10.671 1.00 0.00 O ATOM 447 CB ARG A 63 -3.485 11.783 -8.340 1.00 0.00 C ATOM 448 CG ARG A 63 -3.485 12.389 -6.935 1.00 0.00 C ATOM 449 CD ARG A 63 -3.149 13.879 -7.023 1.00 0.00 C ATOM 450 NE ARG A 63 -1.670 13.948 -6.864 1.00 0.00 N ATOM 451 CZ ARG A 63 -1.053 15.091 -6.989 1.00 0.00 C ATOM 452 NH1 ARG A 63 -1.250 15.827 -8.048 1.00 0.00 N ATOM 453 NH2 ARG A 63 -0.239 15.498 -6.053 1.00 0.00 N ATOM 0 H ARG A 63 -1.389 12.754 -8.950 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.108 10.241 -7.621 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.455 12.575 -9.089 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.405 11.223 -8.506 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.460 12.252 -6.468 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.756 11.877 -6.306 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.464 14.299 -7.978 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.657 14.445 -6.243 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.139 13.102 -6.657 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.887 15.509 -8.779 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.767 16.720 -8.145 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.086 14.923 -5.225 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.244 16.391 -6.150 1.00 0.00 H new ATOM 467 N PHE A 64 -1.996 8.698 -9.579 1.00 0.00 N ATOM 468 CA PHE A 64 -2.189 7.733 -10.700 1.00 0.00 C ATOM 469 C PHE A 64 -3.658 7.736 -11.122 1.00 0.00 C ATOM 470 O PHE A 64 -3.989 7.502 -12.268 1.00 0.00 O ATOM 471 CB PHE A 64 -1.795 6.367 -10.135 1.00 0.00 C ATOM 472 CG PHE A 64 -1.880 5.325 -11.227 1.00 0.00 C ATOM 473 CD1 PHE A 64 -3.081 4.640 -11.454 1.00 0.00 C ATOM 474 CD2 PHE A 64 -0.756 5.042 -12.015 1.00 0.00 C ATOM 475 CE1 PHE A 64 -3.157 3.676 -12.467 1.00 0.00 C ATOM 476 CE2 PHE A 64 -0.834 4.077 -13.028 1.00 0.00 C ATOM 477 CZ PHE A 64 -2.035 3.394 -13.254 1.00 0.00 C ATOM 0 H PHE A 64 -1.477 8.340 -8.778 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.593 7.986 -11.577 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.782 6.406 -9.733 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.455 6.099 -9.310 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.948 4.855 -10.848 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.171 5.568 -11.841 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.084 3.149 -12.641 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.033 3.860 -13.635 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.095 2.650 -14.035 1.00 0.00 H new ATOM 487 N ASN A 65 -4.542 8.014 -10.202 1.00 0.00 N ATOM 488 CA ASN A 65 -5.990 8.050 -10.544 1.00 0.00 C ATOM 489 C ASN A 65 -6.312 9.362 -11.261 1.00 0.00 C ATOM 490 O ASN A 65 -7.061 9.393 -12.217 1.00 0.00 O ATOM 491 CB ASN A 65 -6.718 7.972 -9.200 1.00 0.00 C ATOM 492 CG ASN A 65 -6.325 9.169 -8.333 1.00 0.00 C ATOM 493 OD1 ASN A 65 -5.314 9.141 -7.659 1.00 0.00 O ATOM 494 ND2 ASN A 65 -7.088 10.228 -8.320 1.00 0.00 N ATOM 0 H ASN A 65 -4.322 8.218 -9.227 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.288 7.238 -11.207 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.796 7.964 -9.359 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.464 7.042 -8.691 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.836 11.031 -7.744 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.937 10.252 -8.885 1.00 0.00 H new ATOM 501 N GLU A 66 -5.737 10.447 -10.813 1.00 0.00 N ATOM 502 CA GLU A 66 -5.998 11.756 -11.475 1.00 0.00 C ATOM 503 C GLU A 66 -5.642 11.662 -12.961 1.00 0.00 C ATOM 504 O GLU A 66 -6.394 12.083 -13.816 1.00 0.00 O ATOM 505 CB GLU A 66 -5.083 12.750 -10.759 1.00 0.00 C ATOM 506 CG GLU A 66 -5.473 14.179 -11.143 1.00 0.00 C ATOM 507 CD GLU A 66 -6.983 14.362 -10.975 1.00 0.00 C ATOM 508 OE1 GLU A 66 -7.441 14.334 -9.844 1.00 0.00 O ATOM 509 OE2 GLU A 66 -7.655 14.528 -11.980 1.00 0.00 O ATOM 0 H GLU A 66 -5.099 10.482 -10.018 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.044 12.057 -11.415 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.161 12.619 -9.680 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.044 12.562 -11.028 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.938 14.893 -10.517 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.185 14.381 -12.175 1.00 0.00 H new ATOM 516 N VAL A 67 -4.504 11.102 -13.277 1.00 0.00 N ATOM 517 CA VAL A 67 -4.117 10.976 -14.712 1.00 0.00 C ATOM 518 C VAL A 67 -5.063 9.998 -15.414 1.00 0.00 C ATOM 519 O VAL A 67 -5.533 10.249 -16.506 1.00 0.00 O ATOM 520 CB VAL A 67 -2.684 10.434 -14.708 1.00 0.00 C ATOM 521 CG1 VAL A 67 -2.279 10.079 -16.136 1.00 0.00 C ATOM 522 CG2 VAL A 67 -1.735 11.506 -14.170 1.00 0.00 C ATOM 0 H VAL A 67 -3.830 10.729 -12.608 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.178 11.927 -15.242 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.631 9.548 -14.076 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.260 9.693 -16.140 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.956 9.320 -16.528 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.331 10.970 -16.761 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.715 11.121 -14.167 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.787 12.390 -14.805 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.025 11.772 -13.154 1.00 0.00 H new ATOM 532 N ALA A 68 -5.353 8.890 -14.787 1.00 0.00 N ATOM 533 CA ALA A 68 -6.276 7.900 -15.408 1.00 0.00 C ATOM 534 C ALA A 68 -7.601 8.576 -15.771 1.00 0.00 C ATOM 535 O ALA A 68 -8.081 8.470 -16.881 1.00 0.00 O ATOM 536 CB ALA A 68 -6.496 6.837 -14.331 1.00 0.00 C ATOM 0 H ALA A 68 -4.990 8.628 -13.871 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.872 7.473 -16.326 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.168 6.068 -14.711 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.540 6.385 -14.065 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.937 7.300 -13.448 1.00 0.00 H new ATOM 542 N ALA A 69 -8.193 9.270 -14.838 1.00 0.00 N ATOM 543 CA ALA A 69 -9.487 9.956 -15.119 1.00 0.00 C ATOM 544 C ALA A 69 -9.368 10.845 -16.360 1.00 0.00 C ATOM 545 O ALA A 69 -10.156 10.752 -17.279 1.00 0.00 O ATOM 546 CB ALA A 69 -9.759 10.805 -13.876 1.00 0.00 C ATOM 0 H ALA A 69 -7.836 9.392 -13.890 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.291 9.248 -15.319 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.698 11.345 -14.002 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.827 10.158 -13.001 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.946 11.518 -13.737 1.00 0.00 H new ATOM 552 N GLN A 70 -8.394 11.713 -16.389 1.00 0.00 N ATOM 553 CA GLN A 70 -8.232 12.613 -17.568 1.00 0.00 C ATOM 554 C GLN A 70 -7.936 11.796 -18.829 1.00 0.00 C ATOM 555 O GLN A 70 -8.270 12.193 -19.927 1.00 0.00 O ATOM 556 CB GLN A 70 -7.044 13.513 -17.215 1.00 0.00 C ATOM 557 CG GLN A 70 -7.415 14.463 -16.070 1.00 0.00 C ATOM 558 CD GLN A 70 -8.820 15.018 -16.289 1.00 0.00 C ATOM 559 OE1 GLN A 70 -9.847 14.293 -15.948 1.00 0.00 O flip ATOM 560 NE2 GLN A 70 -8.985 16.120 -16.773 1.00 0.00 N flip ATOM 0 H GLN A 70 -7.704 11.839 -15.649 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.134 13.189 -17.775 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.189 12.901 -16.926 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.743 14.088 -18.090 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.368 13.935 -15.118 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.696 15.280 -16.017 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.179 16.686 -17.039 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.929 16.479 -16.913 1.00 0.00 H new ATOM 569 N TYR A 71 -7.313 10.660 -18.683 1.00 0.00 N ATOM 570 CA TYR A 71 -7.001 9.825 -19.880 1.00 0.00 C ATOM 571 C TYR A 71 -7.877 8.573 -19.901 1.00 0.00 C ATOM 572 O TYR A 71 -7.576 7.606 -20.571 1.00 0.00 O ATOM 573 CB TYR A 71 -5.532 9.441 -19.725 1.00 0.00 C ATOM 574 CG TYR A 71 -4.683 10.687 -19.703 1.00 0.00 C ATOM 575 CD1 TYR A 71 -5.052 11.804 -20.463 1.00 0.00 C ATOM 576 CD2 TYR A 71 -3.525 10.725 -18.923 1.00 0.00 C ATOM 577 CE1 TYR A 71 -4.260 12.956 -20.439 1.00 0.00 C ATOM 578 CE2 TYR A 71 -2.733 11.876 -18.898 1.00 0.00 C ATOM 579 CZ TYR A 71 -3.100 12.994 -19.657 1.00 0.00 C ATOM 580 OH TYR A 71 -2.318 14.131 -19.634 1.00 0.00 O ATOM 0 H TYR A 71 -7.007 10.273 -17.790 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.189 10.360 -20.811 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.389 8.875 -18.805 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.226 8.795 -20.548 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.947 11.776 -21.067 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.241 9.863 -18.338 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.544 13.818 -21.025 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.838 11.903 -18.294 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.875 14.206 -18.763 1.00 0.00 H new ATOM 590 N SER A 72 -8.958 8.581 -19.174 1.00 0.00 N ATOM 591 CA SER A 72 -9.846 7.387 -19.159 1.00 0.00 C ATOM 592 C SER A 72 -10.919 7.515 -20.239 1.00 0.00 C ATOM 593 O SER A 72 -11.951 8.121 -20.034 1.00 0.00 O ATOM 594 CB SER A 72 -10.486 7.380 -17.771 1.00 0.00 C ATOM 595 OG SER A 72 -11.463 6.348 -17.711 1.00 0.00 O ATOM 0 H SER A 72 -9.264 9.360 -18.591 1.00 0.00 H new ATOM 0 HA SER A 72 -9.298 6.466 -19.359 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.725 7.221 -17.007 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.947 8.346 -17.565 1.00 0.00 H new ATOM 0 HG SER A 72 -11.875 6.339 -16.822 1.00 0.00 H new ATOM 601 N GLU A 73 -10.695 6.932 -21.384 1.00 0.00 N ATOM 602 CA GLU A 73 -11.715 7.006 -22.464 1.00 0.00 C ATOM 603 C GLU A 73 -12.520 5.705 -22.487 1.00 0.00 C ATOM 604 O GLU A 73 -13.420 5.531 -23.283 1.00 0.00 O ATOM 605 CB GLU A 73 -10.924 7.183 -23.761 1.00 0.00 C ATOM 606 CG GLU A 73 -10.082 8.458 -23.674 1.00 0.00 C ATOM 607 CD GLU A 73 -11.004 9.679 -23.630 1.00 0.00 C ATOM 608 OE1 GLU A 73 -12.009 9.665 -24.323 1.00 0.00 O ATOM 609 OE2 GLU A 73 -10.688 10.607 -22.905 1.00 0.00 O ATOM 0 H GLU A 73 -9.851 6.409 -21.617 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.421 7.824 -22.321 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.280 6.320 -23.928 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.605 7.241 -24.610 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.454 8.431 -22.783 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.414 8.524 -24.533 1.00 0.00 H new ATOM 616 N ASP A 74 -12.202 4.793 -21.607 1.00 0.00 N ATOM 617 CA ASP A 74 -12.947 3.506 -21.558 1.00 0.00 C ATOM 618 C ASP A 74 -13.878 3.487 -20.342 1.00 0.00 C ATOM 619 O ASP A 74 -14.380 2.445 -19.950 1.00 0.00 O ATOM 620 CB ASP A 74 -11.868 2.429 -21.429 1.00 0.00 C ATOM 621 CG ASP A 74 -12.475 1.058 -21.733 1.00 0.00 C ATOM 622 OD1 ASP A 74 -13.690 0.969 -21.789 1.00 0.00 O ATOM 623 OD2 ASP A 74 -11.713 0.120 -21.904 1.00 0.00 O ATOM 0 H ASP A 74 -11.455 4.887 -20.919 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.570 3.351 -22.439 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.049 2.636 -22.117 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -11.449 2.438 -20.423 1.00 0.00 H new ATOM 628 N LYS A 75 -14.121 4.632 -19.744 1.00 0.00 N ATOM 629 CA LYS A 75 -15.030 4.672 -18.560 1.00 0.00 C ATOM 630 C LYS A 75 -16.224 3.765 -18.835 1.00 0.00 C ATOM 631 O LYS A 75 -16.721 3.082 -17.962 1.00 0.00 O ATOM 632 CB LYS A 75 -15.459 6.136 -18.421 1.00 0.00 C ATOM 633 CG LYS A 75 -16.294 6.554 -19.633 1.00 0.00 C ATOM 634 CD LYS A 75 -16.906 7.930 -19.374 1.00 0.00 C ATOM 635 CE LYS A 75 -17.588 8.436 -20.648 1.00 0.00 C ATOM 636 NZ LYS A 75 -16.544 9.227 -21.356 1.00 0.00 N ATOM 0 H LYS A 75 -13.731 5.532 -20.025 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.557 4.324 -17.642 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -16.038 6.269 -17.507 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.580 6.775 -18.337 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.670 6.583 -20.526 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.081 5.822 -19.817 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.630 7.870 -18.561 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.132 8.631 -19.061 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.940 7.608 -21.263 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -18.457 9.050 -20.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.937 9.607 -22.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.233 10.012 -20.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.732 8.614 -21.573 1.00 0.00 H new ATOM 650 N ALA A 76 -16.650 3.718 -20.066 1.00 0.00 N ATOM 651 CA ALA A 76 -17.767 2.815 -20.432 1.00 0.00 C ATOM 652 C ALA A 76 -17.163 1.447 -20.737 1.00 0.00 C ATOM 653 O ALA A 76 -16.147 1.357 -21.397 1.00 0.00 O ATOM 654 CB ALA A 76 -18.390 3.429 -21.685 1.00 0.00 C ATOM 0 H ALA A 76 -16.269 4.270 -20.835 1.00 0.00 H new ATOM 0 HA ALA A 76 -18.517 2.699 -19.650 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -19.226 2.813 -22.015 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -18.747 4.434 -21.459 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -17.642 3.479 -22.476 1.00 0.00 H new ATOM 660 N ARG A 77 -17.749 0.393 -20.231 1.00 0.00 N ATOM 661 CA ARG A 77 -17.190 -0.982 -20.457 1.00 0.00 C ATOM 662 C ARG A 77 -16.038 -1.248 -19.475 1.00 0.00 C ATOM 663 O ARG A 77 -15.665 -2.380 -19.243 1.00 0.00 O ATOM 664 CB ARG A 77 -16.686 -1.010 -21.907 1.00 0.00 C ATOM 665 CG ARG A 77 -16.795 -2.429 -22.462 1.00 0.00 C ATOM 666 CD ARG A 77 -18.212 -2.660 -22.987 1.00 0.00 C ATOM 667 NE ARG A 77 -18.162 -3.990 -23.653 1.00 0.00 N ATOM 668 CZ ARG A 77 -18.525 -4.106 -24.901 1.00 0.00 C ATOM 669 NH1 ARG A 77 -19.752 -3.833 -25.253 1.00 0.00 N ATOM 670 NH2 ARG A 77 -17.660 -4.494 -25.797 1.00 0.00 N ATOM 0 H ARG A 77 -18.598 0.422 -19.666 1.00 0.00 H new ATOM 0 HA ARG A 77 -17.942 -1.754 -20.292 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.271 -0.324 -22.519 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -15.651 -0.671 -21.949 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.070 -2.575 -23.263 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -16.561 -3.155 -21.684 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.940 -2.652 -22.176 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -18.506 -1.878 -23.687 1.00 0.00 H new ATOM 0 HE ARG A 77 -17.845 -4.809 -23.135 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -20.428 -3.529 -24.552 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -20.035 -3.924 -26.229 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -16.701 -4.706 -25.522 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -17.943 -4.585 -26.773 1.00 0.00 H new ATOM 684 N GLN A 78 -15.476 -0.213 -18.893 1.00 0.00 N ATOM 685 CA GLN A 78 -14.359 -0.401 -17.919 1.00 0.00 C ATOM 686 C GLN A 78 -13.085 -0.863 -18.629 1.00 0.00 C ATOM 687 O GLN A 78 -13.066 -1.078 -19.826 1.00 0.00 O ATOM 688 CB GLN A 78 -14.842 -1.470 -16.937 1.00 0.00 C ATOM 689 CG GLN A 78 -13.984 -1.420 -15.670 1.00 0.00 C ATOM 690 CD GLN A 78 -14.793 -1.946 -14.483 1.00 0.00 C ATOM 691 OE1 GLN A 78 -14.341 -2.814 -13.764 1.00 0.00 O ATOM 692 NE2 GLN A 78 -15.978 -1.454 -14.245 1.00 0.00 N ATOM 0 H GLN A 78 -15.747 0.757 -19.054 1.00 0.00 H new ATOM 0 HA GLN A 78 -14.113 0.533 -17.413 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -15.890 -1.303 -16.687 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -14.777 -2.457 -17.395 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -13.084 -2.020 -15.804 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.660 -0.397 -15.478 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -16.358 -0.725 -14.849 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -16.524 -1.799 -13.455 1.00 0.00 H new ATOM 701 N GLY A 79 -12.019 -1.012 -17.893 1.00 0.00 N ATOM 702 CA GLY A 79 -10.735 -1.454 -18.504 1.00 0.00 C ATOM 703 C GLY A 79 -9.574 -0.961 -17.641 1.00 0.00 C ATOM 704 O GLY A 79 -8.479 -1.486 -17.696 1.00 0.00 O ATOM 0 H GLY A 79 -11.982 -0.845 -16.887 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.710 -2.541 -18.582 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.645 -1.060 -19.516 1.00 0.00 H new ATOM 708 N GLY A 80 -9.803 0.043 -16.837 1.00 0.00 N ATOM 709 CA GLY A 80 -8.711 0.564 -15.969 1.00 0.00 C ATOM 710 C GLY A 80 -8.035 -0.608 -15.261 1.00 0.00 C ATOM 711 O GLY A 80 -6.825 -0.697 -15.194 1.00 0.00 O ATOM 0 H GLY A 80 -10.698 0.523 -16.745 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.984 1.112 -16.568 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.114 1.264 -15.237 1.00 0.00 H new ATOM 715 N ASP A 81 -8.814 -1.513 -14.738 1.00 0.00 N ATOM 716 CA ASP A 81 -8.231 -2.691 -14.039 1.00 0.00 C ATOM 717 C ASP A 81 -8.577 -3.969 -14.807 1.00 0.00 C ATOM 718 O ASP A 81 -9.726 -4.240 -15.088 1.00 0.00 O ATOM 719 CB ASP A 81 -8.891 -2.698 -12.660 1.00 0.00 C ATOM 720 CG ASP A 81 -10.415 -2.692 -12.820 1.00 0.00 C ATOM 721 OD1 ASP A 81 -10.873 -2.516 -13.938 1.00 0.00 O ATOM 722 OD2 ASP A 81 -11.096 -2.865 -11.823 1.00 0.00 O ATOM 0 H ASP A 81 -9.833 -1.487 -14.765 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.145 -2.641 -13.967 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.577 -3.579 -12.100 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.572 -1.827 -12.088 1.00 0.00 H new ATOM 727 N LEU A 82 -7.594 -4.757 -15.145 1.00 0.00 N ATOM 728 CA LEU A 82 -7.879 -6.017 -15.890 1.00 0.00 C ATOM 729 C LEU A 82 -7.836 -7.207 -14.931 1.00 0.00 C ATOM 730 O LEU A 82 -7.902 -8.349 -15.338 1.00 0.00 O ATOM 731 CB LEU A 82 -6.771 -6.123 -16.938 1.00 0.00 C ATOM 732 CG LEU A 82 -7.102 -5.215 -18.123 1.00 0.00 C ATOM 733 CD1 LEU A 82 -7.330 -3.787 -17.624 1.00 0.00 C ATOM 734 CD2 LEU A 82 -5.936 -5.224 -19.115 1.00 0.00 C ATOM 0 H LEU A 82 -6.610 -4.585 -14.939 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.866 -6.014 -16.352 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.814 -5.835 -16.502 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.671 -7.155 -17.274 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.004 -5.578 -18.616 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.566 -3.140 -18.469 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.159 -3.777 -16.916 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.428 -3.425 -17.131 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.172 -4.577 -19.960 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.035 -4.861 -18.621 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.770 -6.240 -19.472 1.00 0.00 H new ATOM 746 N GLY A 83 -7.728 -6.947 -13.658 1.00 0.00 N ATOM 747 CA GLY A 83 -7.685 -8.061 -12.674 1.00 0.00 C ATOM 748 C GLY A 83 -6.482 -8.955 -12.965 1.00 0.00 C ATOM 749 O GLY A 83 -5.448 -8.496 -13.421 1.00 0.00 O ATOM 0 H GLY A 83 -7.668 -6.011 -13.258 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.619 -7.663 -11.661 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.605 -8.643 -12.728 1.00 0.00 H new ATOM 753 N TRP A 84 -6.611 -10.230 -12.699 1.00 0.00 N ATOM 754 CA TRP A 84 -5.484 -11.173 -12.946 1.00 0.00 C ATOM 755 C TRP A 84 -5.648 -11.869 -14.299 1.00 0.00 C ATOM 756 O TRP A 84 -6.700 -12.379 -14.625 1.00 0.00 O ATOM 757 CB TRP A 84 -5.574 -12.195 -11.813 1.00 0.00 C ATOM 758 CG TRP A 84 -5.715 -11.478 -10.510 1.00 0.00 C ATOM 759 CD1 TRP A 84 -6.889 -11.158 -9.922 1.00 0.00 C ATOM 760 CD2 TRP A 84 -4.666 -10.987 -9.628 1.00 0.00 C ATOM 761 NE1 TRP A 84 -6.628 -10.496 -8.736 1.00 0.00 N ATOM 762 CE2 TRP A 84 -5.272 -10.367 -8.511 1.00 0.00 C ATOM 763 CE3 TRP A 84 -3.262 -11.017 -9.690 1.00 0.00 C ATOM 764 CZ2 TRP A 84 -4.512 -9.796 -7.491 1.00 0.00 C ATOM 765 CZ3 TRP A 84 -2.494 -10.446 -8.664 1.00 0.00 C ATOM 766 CH2 TRP A 84 -3.117 -9.835 -7.567 1.00 0.00 C ATOM 0 H TRP A 84 -7.455 -10.659 -12.319 1.00 0.00 H new ATOM 0 HA TRP A 84 -4.522 -10.661 -12.970 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -6.426 -12.856 -11.971 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -4.682 -12.822 -11.802 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -7.870 -11.382 -10.314 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -7.349 -10.146 -8.105 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -2.772 -11.482 -10.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -4.998 -9.327 -6.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.416 -10.477 -8.720 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -2.520 -9.395 -6.782 1.00 0.00 H new ATOM 777 N MET A 85 -4.604 -11.902 -15.077 1.00 0.00 N ATOM 778 CA MET A 85 -4.677 -12.574 -16.403 1.00 0.00 C ATOM 779 C MET A 85 -3.422 -13.424 -16.606 1.00 0.00 C ATOM 780 O MET A 85 -2.366 -13.113 -16.094 1.00 0.00 O ATOM 781 CB MET A 85 -4.734 -11.437 -17.424 1.00 0.00 C ATOM 782 CG MET A 85 -3.372 -10.743 -17.493 1.00 0.00 C ATOM 783 SD MET A 85 -3.391 -9.505 -18.813 1.00 0.00 S ATOM 784 CE MET A 85 -3.686 -8.058 -17.766 1.00 0.00 C ATOM 0 H MET A 85 -3.699 -11.490 -14.850 1.00 0.00 H new ATOM 0 HA MET A 85 -5.538 -13.235 -16.497 1.00 0.00 H new ATOM 0 HB2 MET A 85 -5.005 -11.828 -18.405 1.00 0.00 H new ATOM 0 HB3 MET A 85 -5.505 -10.720 -17.143 1.00 0.00 H new ATOM 0 HG2 MET A 85 -3.145 -10.269 -16.538 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.587 -11.476 -17.679 1.00 0.00 H new ATOM 0 HE1 MET A 85 -3.356 -7.159 -18.286 1.00 0.00 H new ATOM 0 HE2 MET A 85 -4.751 -7.979 -17.546 1.00 0.00 H new ATOM 0 HE3 MET A 85 -3.129 -8.163 -16.835 1.00 0.00 H new ATOM 794 N THR A 86 -3.523 -14.499 -17.335 1.00 0.00 N ATOM 795 CA THR A 86 -2.322 -15.358 -17.545 1.00 0.00 C ATOM 796 C THR A 86 -1.862 -15.284 -19.004 1.00 0.00 C ATOM 797 O THR A 86 -0.786 -14.803 -19.297 1.00 0.00 O ATOM 798 CB THR A 86 -2.780 -16.770 -17.185 1.00 0.00 C ATOM 799 OG1 THR A 86 -3.660 -17.253 -18.190 1.00 0.00 O ATOM 800 CG2 THR A 86 -3.503 -16.744 -15.837 1.00 0.00 C ATOM 0 H THR A 86 -4.377 -14.820 -17.792 1.00 0.00 H new ATOM 0 HA THR A 86 -1.474 -15.042 -16.938 1.00 0.00 H new ATOM 0 HB THR A 86 -1.913 -17.428 -17.117 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.953 -18.160 -17.960 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.830 -17.752 -15.580 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.825 -16.375 -15.067 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.370 -16.087 -15.902 1.00 0.00 H new ATOM 808 N ARG A 87 -2.662 -15.750 -19.922 1.00 0.00 N ATOM 809 CA ARG A 87 -2.253 -15.690 -21.355 1.00 0.00 C ATOM 810 C ARG A 87 -2.306 -14.242 -21.848 1.00 0.00 C ATOM 811 O ARG A 87 -1.460 -13.799 -22.598 1.00 0.00 O ATOM 812 CB ARG A 87 -3.273 -16.557 -22.090 1.00 0.00 C ATOM 813 CG ARG A 87 -3.067 -18.020 -21.692 1.00 0.00 C ATOM 814 CD ARG A 87 -4.246 -18.858 -22.189 1.00 0.00 C ATOM 815 NE ARG A 87 -3.706 -19.637 -23.338 1.00 0.00 N ATOM 816 CZ ARG A 87 -4.250 -20.778 -23.667 1.00 0.00 C ATOM 817 NH1 ARG A 87 -5.359 -21.163 -23.094 1.00 0.00 N ATOM 818 NH2 ARG A 87 -3.686 -21.531 -24.572 1.00 0.00 N ATOM 0 H ARG A 87 -3.576 -16.167 -19.745 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.235 -16.043 -21.519 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.285 -16.239 -21.841 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.158 -16.441 -23.168 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.136 -18.395 -22.117 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.979 -18.104 -20.609 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.620 -19.517 -21.406 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.078 -18.225 -22.497 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.911 -19.279 -23.868 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.801 -20.572 -22.389 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.783 -22.054 -23.351 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.822 -21.228 -25.021 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.110 -22.422 -24.830 1.00 0.00 H new ATOM 832 N GLY A 88 -3.286 -13.497 -21.416 1.00 0.00 N ATOM 833 CA GLY A 88 -3.390 -12.071 -21.842 1.00 0.00 C ATOM 834 C GLY A 88 -3.523 -11.975 -23.363 1.00 0.00 C ATOM 835 O GLY A 88 -2.762 -11.294 -24.019 1.00 0.00 O ATOM 0 H GLY A 88 -4.022 -13.814 -20.785 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.252 -11.605 -21.365 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.508 -11.522 -21.513 1.00 0.00 H new ATOM 839 N SER A 89 -4.494 -12.636 -23.930 1.00 0.00 N ATOM 840 CA SER A 89 -4.679 -12.561 -25.409 1.00 0.00 C ATOM 841 C SER A 89 -5.858 -11.639 -25.731 1.00 0.00 C ATOM 842 O SER A 89 -7.003 -11.993 -25.528 1.00 0.00 O ATOM 843 CB SER A 89 -4.979 -13.992 -25.851 1.00 0.00 C ATOM 844 OG SER A 89 -3.892 -14.834 -25.492 1.00 0.00 O ATOM 0 H SER A 89 -5.166 -13.223 -23.436 1.00 0.00 H new ATOM 0 HA SER A 89 -3.803 -12.161 -25.920 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.897 -14.345 -25.381 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.139 -14.026 -26.929 1.00 0.00 H new ATOM 0 HG SER A 89 -3.527 -15.258 -26.297 1.00 0.00 H new ATOM 850 N MET A 90 -5.594 -10.456 -26.217 1.00 0.00 N ATOM 851 CA MET A 90 -6.712 -9.520 -26.533 1.00 0.00 C ATOM 852 C MET A 90 -6.569 -8.947 -27.947 1.00 0.00 C ATOM 853 O MET A 90 -7.183 -9.422 -28.880 1.00 0.00 O ATOM 854 CB MET A 90 -6.604 -8.409 -25.490 1.00 0.00 C ATOM 855 CG MET A 90 -7.308 -8.847 -24.205 1.00 0.00 C ATOM 856 SD MET A 90 -9.097 -8.650 -24.397 1.00 0.00 S ATOM 857 CE MET A 90 -9.513 -10.410 -24.462 1.00 0.00 C ATOM 0 H MET A 90 -4.658 -10.098 -26.408 1.00 0.00 H new ATOM 0 HA MET A 90 -7.679 -10.022 -26.503 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.556 -8.187 -25.286 1.00 0.00 H new ATOM 0 HB3 MET A 90 -7.055 -7.493 -25.871 1.00 0.00 H new ATOM 0 HG2 MET A 90 -7.068 -9.887 -23.983 1.00 0.00 H new ATOM 0 HG3 MET A 90 -6.954 -8.252 -23.363 1.00 0.00 H new ATOM 0 HE1 MET A 90 -10.491 -10.570 -24.007 1.00 0.00 H new ATOM 0 HE2 MET A 90 -9.538 -10.740 -25.501 1.00 0.00 H new ATOM 0 HE3 MET A 90 -8.762 -10.982 -23.918 1.00 0.00 H new ATOM 867 N VAL A 91 -5.780 -7.918 -28.112 1.00 0.00 N ATOM 868 CA VAL A 91 -5.627 -7.315 -29.470 1.00 0.00 C ATOM 869 C VAL A 91 -4.381 -7.858 -30.182 1.00 0.00 C ATOM 870 O VAL A 91 -4.335 -7.918 -31.394 1.00 0.00 O ATOM 871 CB VAL A 91 -5.496 -5.812 -29.225 1.00 0.00 C ATOM 872 CG1 VAL A 91 -4.383 -5.553 -28.208 1.00 0.00 C ATOM 873 CG2 VAL A 91 -5.159 -5.106 -30.541 1.00 0.00 C ATOM 0 H VAL A 91 -5.239 -7.471 -27.372 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.473 -7.555 -30.114 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.439 -5.426 -28.837 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.291 -4.481 -28.035 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.624 -6.053 -27.270 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.440 -5.940 -28.594 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.066 -4.034 -30.365 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.218 -5.493 -30.931 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.953 -5.287 -31.265 1.00 0.00 H new ATOM 883 N GLY A 92 -3.375 -8.252 -29.450 1.00 0.00 N ATOM 884 CA GLY A 92 -2.147 -8.785 -30.112 1.00 0.00 C ATOM 885 C GLY A 92 -0.900 -8.133 -29.507 1.00 0.00 C ATOM 886 O GLY A 92 -0.166 -8.763 -28.769 1.00 0.00 O ATOM 0 H GLY A 92 -3.348 -8.229 -28.431 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.098 -9.867 -29.988 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.187 -8.588 -31.183 1.00 0.00 H new ATOM 890 N PRO A 93 -0.698 -6.886 -29.844 1.00 0.00 N ATOM 891 CA PRO A 93 0.477 -6.139 -29.329 1.00 0.00 C ATOM 892 C PRO A 93 0.321 -5.868 -27.833 1.00 0.00 C ATOM 893 O PRO A 93 1.257 -5.996 -27.070 1.00 0.00 O ATOM 894 CB PRO A 93 0.455 -4.839 -30.129 1.00 0.00 C ATOM 895 CG PRO A 93 -0.971 -4.673 -30.546 1.00 0.00 C ATOM 896 CD PRO A 93 -1.534 -6.060 -30.722 1.00 0.00 C ATOM 0 HA PRO A 93 1.415 -6.682 -29.441 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.791 -3.997 -29.525 1.00 0.00 H new ATOM 0 HB3 PRO A 93 1.116 -4.895 -30.994 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.533 -4.120 -29.793 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -1.039 -4.107 -31.475 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.584 -6.106 -30.435 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -1.473 -6.389 -31.759 1.00 0.00 H new ATOM 904 N PHE A 94 -0.855 -5.503 -27.401 1.00 0.00 N ATOM 905 CA PHE A 94 -1.058 -5.237 -25.948 1.00 0.00 C ATOM 906 C PHE A 94 -0.598 -6.452 -25.140 1.00 0.00 C ATOM 907 O PHE A 94 -0.006 -6.323 -24.087 1.00 0.00 O ATOM 908 CB PHE A 94 -2.562 -5.014 -25.790 1.00 0.00 C ATOM 909 CG PHE A 94 -2.858 -4.489 -24.404 1.00 0.00 C ATOM 910 CD1 PHE A 94 -2.770 -3.117 -24.140 1.00 0.00 C ATOM 911 CD2 PHE A 94 -3.226 -5.375 -23.383 1.00 0.00 C ATOM 912 CE1 PHE A 94 -3.048 -2.630 -22.857 1.00 0.00 C ATOM 913 CE2 PHE A 94 -3.503 -4.889 -22.100 1.00 0.00 C ATOM 914 CZ PHE A 94 -3.415 -3.517 -21.837 1.00 0.00 C ATOM 0 H PHE A 94 -1.680 -5.378 -27.987 1.00 0.00 H new ATOM 0 HA PHE A 94 -0.490 -4.378 -25.592 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -2.915 -4.306 -26.540 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.097 -5.949 -25.957 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.487 -2.433 -24.927 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -3.296 -6.433 -23.586 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.980 -1.571 -22.654 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.785 -5.573 -21.313 1.00 0.00 H new ATOM 0 HZ PHE A 94 -3.630 -3.142 -20.847 1.00 0.00 H new ATOM 924 N GLN A 95 -0.854 -7.634 -25.636 1.00 0.00 N ATOM 925 CA GLN A 95 -0.419 -8.857 -24.906 1.00 0.00 C ATOM 926 C GLN A 95 1.108 -8.943 -24.904 1.00 0.00 C ATOM 927 O GLN A 95 1.732 -9.091 -23.872 1.00 0.00 O ATOM 928 CB GLN A 95 -1.014 -10.028 -25.690 1.00 0.00 C ATOM 929 CG GLN A 95 -0.450 -11.340 -25.144 1.00 0.00 C ATOM 930 CD GLN A 95 -1.184 -12.518 -25.786 1.00 0.00 C ATOM 931 OE1 GLN A 95 -1.302 -12.591 -26.993 1.00 0.00 O ATOM 932 NE2 GLN A 95 -1.684 -13.451 -25.024 1.00 0.00 N ATOM 0 H GLN A 95 -1.345 -7.803 -26.514 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.748 -8.856 -23.867 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.101 -10.023 -25.605 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.777 -9.930 -26.749 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.617 -11.405 -25.355 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.564 -11.374 -24.060 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.585 -13.390 -24.011 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.174 -14.242 -25.441 1.00 0.00 H new ATOM 941 N GLU A 96 1.715 -8.850 -26.055 1.00 0.00 N ATOM 942 CA GLU A 96 3.202 -8.925 -26.121 1.00 0.00 C ATOM 943 C GLU A 96 3.824 -7.883 -25.186 1.00 0.00 C ATOM 944 O GLU A 96 4.755 -8.167 -24.460 1.00 0.00 O ATOM 945 CB GLU A 96 3.552 -8.615 -27.577 1.00 0.00 C ATOM 946 CG GLU A 96 5.052 -8.828 -27.796 1.00 0.00 C ATOM 947 CD GLU A 96 5.378 -8.660 -29.281 1.00 0.00 C ATOM 948 OE1 GLU A 96 4.753 -9.334 -30.083 1.00 0.00 O ATOM 949 OE2 GLU A 96 6.245 -7.860 -29.591 1.00 0.00 O ATOM 0 H GLU A 96 1.246 -8.725 -26.952 1.00 0.00 H new ATOM 0 HA GLU A 96 3.581 -9.899 -25.811 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.981 -9.260 -28.245 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.281 -7.587 -27.817 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.622 -8.112 -27.204 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.342 -9.823 -27.459 1.00 0.00 H new ATOM 956 N ALA A 97 3.315 -6.681 -25.197 1.00 0.00 N ATOM 957 CA ALA A 97 3.878 -5.625 -24.307 1.00 0.00 C ATOM 958 C ALA A 97 3.767 -6.054 -22.842 1.00 0.00 C ATOM 959 O ALA A 97 4.744 -6.102 -22.121 1.00 0.00 O ATOM 960 CB ALA A 97 3.018 -4.389 -24.565 1.00 0.00 C ATOM 0 H ALA A 97 2.535 -6.385 -25.783 1.00 0.00 H new ATOM 0 HA ALA A 97 4.933 -5.438 -24.507 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.370 -3.565 -23.945 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.090 -4.109 -25.616 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.980 -4.610 -24.319 1.00 0.00 H new ATOM 966 N ALA A 98 2.579 -6.361 -22.397 1.00 0.00 N ATOM 967 CA ALA A 98 2.400 -6.784 -20.977 1.00 0.00 C ATOM 968 C ALA A 98 3.482 -7.794 -20.584 1.00 0.00 C ATOM 969 O ALA A 98 4.195 -7.608 -19.618 1.00 0.00 O ATOM 970 CB ALA A 98 1.018 -7.438 -20.931 1.00 0.00 C ATOM 0 H ALA A 98 1.725 -6.338 -22.954 1.00 0.00 H new ATOM 0 HA ALA A 98 2.480 -5.946 -20.284 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.810 -7.778 -19.916 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.262 -6.713 -21.233 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.996 -8.290 -21.611 1.00 0.00 H new ATOM 976 N PHE A 99 3.608 -8.864 -21.323 1.00 0.00 N ATOM 977 CA PHE A 99 4.642 -9.888 -20.988 1.00 0.00 C ATOM 978 C PHE A 99 5.993 -9.505 -21.599 1.00 0.00 C ATOM 979 O PHE A 99 6.920 -10.290 -21.617 1.00 0.00 O ATOM 980 CB PHE A 99 4.124 -11.193 -21.594 1.00 0.00 C ATOM 981 CG PHE A 99 3.005 -11.730 -20.735 1.00 0.00 C ATOM 982 CD1 PHE A 99 3.299 -12.474 -19.585 1.00 0.00 C ATOM 983 CD2 PHE A 99 1.673 -11.478 -21.083 1.00 0.00 C ATOM 984 CE1 PHE A 99 2.261 -12.965 -18.785 1.00 0.00 C ATOM 985 CE2 PHE A 99 0.635 -11.969 -20.283 1.00 0.00 C ATOM 986 CZ PHE A 99 0.929 -12.712 -19.133 1.00 0.00 C ATOM 0 H PHE A 99 3.040 -9.074 -22.144 1.00 0.00 H new ATOM 0 HA PHE A 99 4.799 -9.975 -19.913 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.768 -11.020 -22.610 1.00 0.00 H new ATOM 0 HB3 PHE A 99 4.931 -11.923 -21.659 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.327 -12.669 -19.316 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.446 -10.904 -21.969 1.00 0.00 H new ATOM 0 HE1 PHE A 99 2.488 -13.539 -17.899 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.393 -11.775 -20.553 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.128 -13.090 -18.515 1.00 0.00 H new ATOM 996 N ALA A 100 6.115 -8.303 -22.093 1.00 0.00 N ATOM 997 CA ALA A 100 7.410 -7.871 -22.691 1.00 0.00 C ATOM 998 C ALA A 100 8.161 -6.977 -21.705 1.00 0.00 C ATOM 999 O ALA A 100 9.360 -6.798 -21.801 1.00 0.00 O ATOM 1000 CB ALA A 100 7.033 -7.084 -23.945 1.00 0.00 C ATOM 0 H ALA A 100 5.374 -7.602 -22.108 1.00 0.00 H new ATOM 0 HA ALA A 100 8.060 -8.714 -22.926 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.938 -6.733 -24.440 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.474 -7.728 -24.624 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.417 -6.229 -23.666 1.00 0.00 H new ATOM 1006 N LEU A 101 7.466 -6.414 -20.753 1.00 0.00 N ATOM 1007 CA LEU A 101 8.146 -5.538 -19.761 1.00 0.00 C ATOM 1008 C LEU A 101 8.231 -6.182 -18.358 1.00 0.00 C ATOM 1009 O LEU A 101 8.394 -5.472 -17.387 1.00 0.00 O ATOM 1010 CB LEU A 101 7.278 -4.281 -19.704 1.00 0.00 C ATOM 1011 CG LEU A 101 8.167 -3.037 -19.756 1.00 0.00 C ATOM 1012 CD1 LEU A 101 7.541 -2.007 -20.698 1.00 0.00 C ATOM 1013 CD2 LEU A 101 8.284 -2.437 -18.352 1.00 0.00 C ATOM 0 H LEU A 101 6.460 -6.523 -20.621 1.00 0.00 H new ATOM 0 HA LEU A 101 9.177 -5.343 -20.057 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.577 -4.274 -20.538 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.685 -4.278 -18.789 1.00 0.00 H new ATOM 0 HG LEU A 101 9.158 -3.310 -20.119 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.172 -1.119 -20.737 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.453 -2.434 -21.697 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.552 -1.733 -20.332 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.917 -1.550 -18.387 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.293 -2.161 -17.990 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.725 -3.171 -17.678 1.00 0.00 H new ATOM 1138 N VAL A 110 6.964 -3.014 -12.701 1.00 0.00 N ATOM 1139 CA VAL A 110 6.233 -1.851 -12.122 1.00 0.00 C ATOM 1140 C VAL A 110 5.287 -1.271 -13.174 1.00 0.00 C ATOM 1141 O VAL A 110 4.209 -1.786 -13.396 1.00 0.00 O ATOM 1142 CB VAL A 110 7.306 -0.834 -11.721 1.00 0.00 C ATOM 1143 CG1 VAL A 110 7.934 -1.255 -10.392 1.00 0.00 C ATOM 1144 CG2 VAL A 110 8.389 -0.765 -12.800 1.00 0.00 C ATOM 0 HA VAL A 110 5.627 -2.129 -11.260 1.00 0.00 H new ATOM 0 HB VAL A 110 6.847 0.149 -11.614 1.00 0.00 H new ATOM 0 HG11 VAL A 110 8.698 -0.532 -10.105 1.00 0.00 H new ATOM 0 HG12 VAL A 110 7.164 -1.294 -9.622 1.00 0.00 H new ATOM 0 HG13 VAL A 110 8.389 -2.240 -10.500 1.00 0.00 H new ATOM 0 HG21 VAL A 110 9.148 -0.040 -12.508 1.00 0.00 H new ATOM 0 HG22 VAL A 110 8.850 -1.746 -12.916 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.941 -0.460 -13.746 1.00 0.00 H new ATOM 1154 N PHE A 111 5.670 -0.209 -13.829 1.00 0.00 N ATOM 1155 CA PHE A 111 4.777 0.375 -14.858 1.00 0.00 C ATOM 1156 C PHE A 111 5.425 0.301 -16.248 1.00 0.00 C ATOM 1157 O PHE A 111 6.632 0.294 -16.385 1.00 0.00 O ATOM 1158 CB PHE A 111 4.575 1.822 -14.426 1.00 0.00 C ATOM 1159 CG PHE A 111 3.428 2.375 -15.207 1.00 0.00 C ATOM 1160 CD1 PHE A 111 2.122 2.039 -14.849 1.00 0.00 C ATOM 1161 CD2 PHE A 111 3.670 3.202 -16.302 1.00 0.00 C ATOM 1162 CE1 PHE A 111 1.050 2.532 -15.592 1.00 0.00 C ATOM 1163 CE2 PHE A 111 2.603 3.699 -17.044 1.00 0.00 C ATOM 1164 CZ PHE A 111 1.287 3.364 -16.691 1.00 0.00 C ATOM 0 H PHE A 111 6.558 0.274 -13.694 1.00 0.00 H new ATOM 0 HA PHE A 111 3.832 -0.163 -14.935 1.00 0.00 H new ATOM 0 HB2 PHE A 111 4.371 1.877 -13.357 1.00 0.00 H new ATOM 0 HB3 PHE A 111 5.478 2.405 -14.608 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.942 1.398 -13.998 1.00 0.00 H new ATOM 0 HD2 PHE A 111 4.684 3.457 -16.574 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.038 2.272 -15.319 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.788 4.342 -17.891 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.458 3.748 -17.267 1.00 0.00 H new ATOM 1174 N THR A 112 4.622 0.238 -17.279 1.00 0.00 N ATOM 1175 CA THR A 112 5.173 0.155 -18.665 1.00 0.00 C ATOM 1176 C THR A 112 5.721 1.511 -19.118 1.00 0.00 C ATOM 1177 O THR A 112 4.979 2.446 -19.346 1.00 0.00 O ATOM 1178 CB THR A 112 3.982 -0.247 -19.538 1.00 0.00 C ATOM 1179 OG1 THR A 112 2.839 0.500 -19.147 1.00 0.00 O ATOM 1180 CG2 THR A 112 3.699 -1.739 -19.371 1.00 0.00 C ATOM 0 H THR A 112 3.604 0.240 -17.220 1.00 0.00 H new ATOM 0 HA THR A 112 5.998 -0.554 -18.729 1.00 0.00 H new ATOM 0 HB THR A 112 4.214 -0.041 -20.583 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.554 0.217 -18.253 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.850 -2.020 -19.994 1.00 0.00 H new ATOM 0 HG22 THR A 112 4.576 -2.312 -19.672 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.468 -1.951 -18.327 1.00 0.00 H new ATOM 1188 N ASP A 113 7.014 1.627 -19.250 1.00 0.00 N ATOM 1189 CA ASP A 113 7.602 2.925 -19.688 1.00 0.00 C ATOM 1190 C ASP A 113 8.653 2.686 -20.787 1.00 0.00 C ATOM 1191 O ASP A 113 9.612 1.976 -20.563 1.00 0.00 O ATOM 1192 CB ASP A 113 8.269 3.495 -18.437 1.00 0.00 C ATOM 1193 CG ASP A 113 7.200 4.059 -17.498 1.00 0.00 C ATOM 1194 OD1 ASP A 113 6.102 4.309 -17.966 1.00 0.00 O ATOM 1195 OD2 ASP A 113 7.500 4.231 -16.328 1.00 0.00 O ATOM 0 H ASP A 113 7.687 0.881 -19.074 1.00 0.00 H new ATOM 0 HA ASP A 113 6.852 3.600 -20.100 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.839 2.717 -17.930 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.975 4.278 -18.714 1.00 0.00 H new ATOM 1200 N PRO A 114 8.454 3.286 -21.939 1.00 0.00 N ATOM 1201 CA PRO A 114 7.271 4.149 -22.187 1.00 0.00 C ATOM 1202 C PRO A 114 6.038 3.290 -22.488 1.00 0.00 C ATOM 1203 O PRO A 114 6.142 2.090 -22.643 1.00 0.00 O ATOM 1204 CB PRO A 114 7.668 4.954 -23.419 1.00 0.00 C ATOM 1205 CG PRO A 114 8.683 4.116 -24.133 1.00 0.00 C ATOM 1206 CD PRO A 114 9.331 3.211 -23.115 1.00 0.00 C ATOM 0 HA PRO A 114 7.013 4.775 -21.332 1.00 0.00 H new ATOM 0 HB2 PRO A 114 6.804 5.151 -24.054 1.00 0.00 H new ATOM 0 HB3 PRO A 114 8.085 5.921 -23.138 1.00 0.00 H new ATOM 0 HG2 PRO A 114 8.209 3.529 -24.919 1.00 0.00 H new ATOM 0 HG3 PRO A 114 9.430 4.748 -24.613 1.00 0.00 H new ATOM 0 HD2 PRO A 114 9.409 2.189 -23.486 1.00 0.00 H new ATOM 0 HD3 PRO A 114 10.342 3.542 -22.877 1.00 0.00 H new ATOM 1214 N PRO A 115 4.909 3.942 -22.575 1.00 0.00 N ATOM 1215 CA PRO A 115 3.642 3.233 -22.880 1.00 0.00 C ATOM 1216 C PRO A 115 3.624 2.818 -24.353 1.00 0.00 C ATOM 1217 O PRO A 115 4.531 3.120 -25.103 1.00 0.00 O ATOM 1218 CB PRO A 115 2.569 4.282 -22.598 1.00 0.00 C ATOM 1219 CG PRO A 115 3.261 5.597 -22.765 1.00 0.00 C ATOM 1220 CD PRO A 115 4.708 5.385 -22.398 1.00 0.00 C ATOM 0 HA PRO A 115 3.500 2.323 -22.297 1.00 0.00 H new ATOM 0 HB2 PRO A 115 1.732 4.186 -23.289 1.00 0.00 H new ATOM 0 HB3 PRO A 115 2.165 4.173 -21.591 1.00 0.00 H new ATOM 0 HG2 PRO A 115 3.172 5.952 -23.792 1.00 0.00 H new ATOM 0 HG3 PRO A 115 2.808 6.355 -22.126 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.372 5.963 -23.041 1.00 0.00 H new ATOM 0 HD3 PRO A 115 4.909 5.694 -21.372 1.00 0.00 H new ATOM 1228 N VAL A 116 2.592 2.147 -24.783 1.00 0.00 N ATOM 1229 CA VAL A 116 2.521 1.741 -26.216 1.00 0.00 C ATOM 1230 C VAL A 116 1.616 2.712 -26.974 1.00 0.00 C ATOM 1231 O VAL A 116 0.754 3.346 -26.398 1.00 0.00 O ATOM 1232 CB VAL A 116 1.924 0.334 -26.218 1.00 0.00 C ATOM 1233 CG1 VAL A 116 2.929 -0.654 -25.628 1.00 0.00 C ATOM 1234 CG2 VAL A 116 0.648 0.330 -25.377 1.00 0.00 C ATOM 0 H VAL A 116 1.798 1.863 -24.209 1.00 0.00 H new ATOM 0 HA VAL A 116 3.497 1.755 -26.700 1.00 0.00 H new ATOM 0 HB VAL A 116 1.691 0.038 -27.241 1.00 0.00 H new ATOM 0 HG11 VAL A 116 2.499 -1.656 -25.631 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.840 -0.648 -26.227 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.166 -0.364 -24.604 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.217 -0.671 -25.374 1.00 0.00 H new ATOM 0 HG22 VAL A 116 0.885 0.626 -24.355 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -0.069 1.033 -25.801 1.00 0.00 H new ATOM 1244 N LYS A 117 1.807 2.841 -28.257 1.00 0.00 N ATOM 1245 CA LYS A 117 0.956 3.781 -29.039 1.00 0.00 C ATOM 1246 C LYS A 117 0.291 3.056 -30.212 1.00 0.00 C ATOM 1247 O LYS A 117 0.935 2.364 -30.975 1.00 0.00 O ATOM 1248 CB LYS A 117 1.917 4.857 -29.549 1.00 0.00 C ATOM 1249 CG LYS A 117 2.967 4.220 -30.462 1.00 0.00 C ATOM 1250 CD LYS A 117 4.075 5.235 -30.750 1.00 0.00 C ATOM 1251 CE LYS A 117 5.258 4.529 -31.419 1.00 0.00 C ATOM 1252 NZ LYS A 117 6.250 5.608 -31.683 1.00 0.00 N ATOM 0 H LYS A 117 2.512 2.339 -28.796 1.00 0.00 H new ATOM 0 HA LYS A 117 0.152 4.203 -28.435 1.00 0.00 H new ATOM 0 HB2 LYS A 117 1.365 5.623 -30.093 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.404 5.351 -28.708 1.00 0.00 H new ATOM 0 HG2 LYS A 117 3.386 3.332 -29.988 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.505 3.895 -31.394 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.698 6.026 -31.397 1.00 0.00 H new ATOM 0 HD3 LYS A 117 4.398 5.708 -29.823 1.00 0.00 H new ATOM 0 HE2 LYS A 117 5.676 3.758 -30.771 1.00 0.00 H new ATOM 0 HE3 LYS A 117 4.953 4.038 -32.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 7.091 5.202 -32.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 5.827 6.324 -32.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 6.526 6.053 -30.785 1.00 0.00 H new ATOM 1266 N THR A 118 -0.996 3.216 -30.362 1.00 0.00 N ATOM 1267 CA THR A 118 -1.710 2.543 -31.486 1.00 0.00 C ATOM 1268 C THR A 118 -2.651 3.534 -32.178 1.00 0.00 C ATOM 1269 O THR A 118 -2.763 4.677 -31.778 1.00 0.00 O ATOM 1270 CB THR A 118 -2.505 1.416 -30.830 1.00 0.00 C ATOM 1271 OG1 THR A 118 -3.409 1.970 -29.882 1.00 0.00 O ATOM 1272 CG2 THR A 118 -1.550 0.452 -30.125 1.00 0.00 C ATOM 0 H THR A 118 -1.585 3.785 -29.754 1.00 0.00 H new ATOM 0 HA THR A 118 -1.026 2.168 -32.248 1.00 0.00 H new ATOM 0 HB THR A 118 -3.062 0.873 -31.593 1.00 0.00 H new ATOM 0 HG1 THR A 118 -4.310 1.623 -30.048 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.122 -0.350 -29.658 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.858 0.029 -30.853 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.989 0.990 -29.361 1.00 0.00 H new ATOM 1280 N LYS A 119 -3.328 3.110 -33.211 1.00 0.00 N ATOM 1281 CA LYS A 119 -4.257 4.039 -33.918 1.00 0.00 C ATOM 1282 C LYS A 119 -5.511 4.293 -33.075 1.00 0.00 C ATOM 1283 O LYS A 119 -6.245 5.231 -33.313 1.00 0.00 O ATOM 1284 CB LYS A 119 -4.624 3.327 -35.221 1.00 0.00 C ATOM 1285 CG LYS A 119 -5.258 1.976 -34.898 1.00 0.00 C ATOM 1286 CD LYS A 119 -6.412 1.704 -35.864 1.00 0.00 C ATOM 1287 CE LYS A 119 -7.365 0.683 -35.241 1.00 0.00 C ATOM 1288 NZ LYS A 119 -6.540 -0.544 -35.053 1.00 0.00 N ATOM 0 H LYS A 119 -3.279 2.166 -33.594 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.798 5.011 -34.099 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.317 3.938 -35.799 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.734 3.186 -35.835 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.512 1.185 -34.976 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.622 1.971 -33.871 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.945 2.630 -36.082 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.027 1.328 -36.812 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -7.763 1.041 -34.292 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -8.218 0.490 -35.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -7.144 -1.386 -35.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.793 -0.574 -35.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.107 -0.530 -34.108 1.00 0.00 H new ATOM 1302 N PHE A 120 -5.761 3.480 -32.080 1.00 0.00 N ATOM 1303 CA PHE A 120 -6.971 3.719 -31.236 1.00 0.00 C ATOM 1304 C PHE A 120 -6.593 4.516 -29.985 1.00 0.00 C ATOM 1305 O PHE A 120 -7.271 4.471 -28.979 1.00 0.00 O ATOM 1306 CB PHE A 120 -7.557 2.343 -30.860 1.00 0.00 C ATOM 1307 CG PHE A 120 -6.477 1.301 -30.670 1.00 0.00 C ATOM 1308 CD1 PHE A 120 -5.995 0.577 -31.768 1.00 0.00 C ATOM 1309 CD2 PHE A 120 -5.973 1.046 -29.391 1.00 0.00 C ATOM 1310 CE1 PHE A 120 -5.008 -0.399 -31.585 1.00 0.00 C ATOM 1311 CE2 PHE A 120 -4.983 0.071 -29.209 1.00 0.00 C ATOM 1312 CZ PHE A 120 -4.502 -0.652 -30.306 1.00 0.00 C ATOM 0 H PHE A 120 -5.191 2.675 -31.818 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.713 4.302 -31.781 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -8.138 2.435 -29.942 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -8.244 2.016 -31.641 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -6.385 0.772 -32.756 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -6.347 1.601 -28.543 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -4.637 -0.957 -32.432 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -4.591 -0.122 -28.221 1.00 0.00 H new ATOM 0 HZ PHE A 120 -3.741 -1.405 -30.165 1.00 0.00 H new ATOM 1322 N GLY A 121 -5.522 5.265 -30.048 1.00 0.00 N ATOM 1323 CA GLY A 121 -5.118 6.082 -28.870 1.00 0.00 C ATOM 1324 C GLY A 121 -3.843 5.520 -28.239 1.00 0.00 C ATOM 1325 O GLY A 121 -3.264 4.566 -28.720 1.00 0.00 O ATOM 0 H GLY A 121 -4.913 5.345 -30.862 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -4.954 7.115 -29.176 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.922 6.091 -28.134 1.00 0.00 H new ATOM 1329 N TYR A 122 -3.414 6.100 -27.148 1.00 0.00 N ATOM 1330 CA TYR A 122 -2.192 5.599 -26.459 1.00 0.00 C ATOM 1331 C TYR A 122 -2.612 4.732 -25.272 1.00 0.00 C ATOM 1332 O TYR A 122 -3.686 4.898 -24.727 1.00 0.00 O ATOM 1333 CB TYR A 122 -1.451 6.849 -25.968 1.00 0.00 C ATOM 1334 CG TYR A 122 -0.960 7.667 -27.137 1.00 0.00 C ATOM 1335 CD1 TYR A 122 -0.400 7.037 -28.252 1.00 0.00 C ATOM 1336 CD2 TYR A 122 -1.051 9.064 -27.098 1.00 0.00 C ATOM 1337 CE1 TYR A 122 0.069 7.800 -29.326 1.00 0.00 C ATOM 1338 CE2 TYR A 122 -0.579 9.826 -28.170 1.00 0.00 C ATOM 1339 CZ TYR A 122 -0.020 9.195 -29.284 1.00 0.00 C ATOM 1340 OH TYR A 122 0.444 9.947 -30.342 1.00 0.00 O ATOM 0 H TYR A 122 -3.861 6.902 -26.704 1.00 0.00 H new ATOM 0 HA TYR A 122 -1.561 4.997 -27.113 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -2.114 7.452 -25.348 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -0.608 6.557 -25.342 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -0.329 5.960 -28.284 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -1.486 9.553 -26.239 1.00 0.00 H new ATOM 0 HE1 TYR A 122 0.500 7.312 -30.188 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -0.646 10.903 -28.137 1.00 0.00 H new ATOM 0 HH TYR A 122 0.802 9.352 -31.034 1.00 0.00 H new ATOM 1350 N HIS A 123 -1.789 3.811 -24.860 1.00 0.00 N ATOM 1351 CA HIS A 123 -2.175 2.953 -23.704 1.00 0.00 C ATOM 1352 C HIS A 123 -1.057 2.917 -22.670 1.00 0.00 C ATOM 1353 O HIS A 123 0.061 2.534 -22.958 1.00 0.00 O ATOM 1354 CB HIS A 123 -2.405 1.559 -24.286 1.00 0.00 C ATOM 1355 CG HIS A 123 -3.382 1.650 -25.418 1.00 0.00 C ATOM 1356 ND1 HIS A 123 -4.729 1.384 -25.252 1.00 0.00 N ATOM 1357 CD2 HIS A 123 -3.224 1.984 -26.738 1.00 0.00 C ATOM 1358 CE1 HIS A 123 -5.327 1.564 -26.442 1.00 0.00 C ATOM 1359 NE2 HIS A 123 -4.453 1.931 -27.384 1.00 0.00 N ATOM 0 H HIS A 123 -0.875 3.615 -25.267 1.00 0.00 H new ATOM 0 HA HIS A 123 -3.064 3.333 -23.200 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -1.462 1.139 -24.637 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -2.785 0.889 -23.515 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -2.287 2.248 -27.205 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -6.384 1.429 -26.616 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -4.646 2.129 -28.366 1.00 0.00 H new ATOM 1367 N ILE A 124 -1.352 3.302 -21.464 1.00 0.00 N ATOM 1368 CA ILE A 124 -0.306 3.277 -20.405 1.00 0.00 C ATOM 1369 C ILE A 124 -0.753 2.300 -19.302 1.00 0.00 C ATOM 1370 O ILE A 124 -1.698 2.545 -18.580 1.00 0.00 O ATOM 1371 CB ILE A 124 -0.210 4.737 -19.931 1.00 0.00 C ATOM 1372 CG1 ILE A 124 1.172 5.002 -19.341 1.00 0.00 C ATOM 1373 CG2 ILE A 124 -1.278 5.037 -18.885 1.00 0.00 C ATOM 1374 CD1 ILE A 124 1.755 6.271 -19.963 1.00 0.00 C ATOM 0 H ILE A 124 -2.269 3.633 -21.164 1.00 0.00 H new ATOM 0 HA ILE A 124 0.673 2.928 -20.734 1.00 0.00 H new ATOM 0 HB ILE A 124 -0.371 5.388 -20.791 1.00 0.00 H new ATOM 0 HG12 ILE A 124 1.102 5.113 -18.259 1.00 0.00 H new ATOM 0 HG13 ILE A 124 1.830 4.154 -19.533 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -1.191 6.075 -18.564 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -2.266 4.871 -19.316 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -1.142 4.379 -18.027 1.00 0.00 H new ATOM 0 HD11 ILE A 124 2.742 6.462 -19.543 1.00 0.00 H new ATOM 0 HD12 ILE A 124 1.839 6.142 -21.042 1.00 0.00 H new ATOM 0 HD13 ILE A 124 1.100 7.115 -19.748 1.00 0.00 H new ATOM 1386 N ILE A 125 -0.117 1.158 -19.207 1.00 0.00 N ATOM 1387 CA ILE A 125 -0.561 0.154 -18.192 1.00 0.00 C ATOM 1388 C ILE A 125 0.424 0.004 -17.030 1.00 0.00 C ATOM 1389 O ILE A 125 1.600 0.285 -17.140 1.00 0.00 O ATOM 1390 CB ILE A 125 -0.666 -1.177 -18.953 1.00 0.00 C ATOM 1391 CG1 ILE A 125 0.729 -1.585 -19.474 1.00 0.00 C ATOM 1392 CG2 ILE A 125 -1.667 -1.049 -20.112 1.00 0.00 C ATOM 1393 CD1 ILE A 125 0.928 -1.147 -20.934 1.00 0.00 C ATOM 0 H ILE A 125 0.680 0.880 -19.780 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.503 0.470 -17.744 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.029 -1.952 -18.278 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.500 -1.135 -18.848 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.847 -2.666 -19.397 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.732 -1.999 -20.643 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.648 -0.786 -19.718 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.331 -0.272 -20.798 1.00 0.00 H new ATOM 0 HD11 ILE A 125 1.919 -1.448 -21.272 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.172 -1.618 -21.562 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.834 -0.063 -21.005 1.00 0.00 H new ATOM 1405 N MET A 126 -0.077 -0.475 -15.923 1.00 0.00 N ATOM 1406 CA MET A 126 0.772 -0.706 -14.723 1.00 0.00 C ATOM 1407 C MET A 126 0.779 -2.206 -14.431 1.00 0.00 C ATOM 1408 O MET A 126 -0.255 -2.806 -14.214 1.00 0.00 O ATOM 1409 CB MET A 126 0.084 0.059 -13.591 1.00 0.00 C ATOM 1410 CG MET A 126 0.887 -0.109 -12.300 1.00 0.00 C ATOM 1411 SD MET A 126 -0.089 0.495 -10.900 1.00 0.00 S ATOM 1412 CE MET A 126 1.240 1.397 -10.068 1.00 0.00 C ATOM 0 H MET A 126 -1.059 -0.720 -15.800 1.00 0.00 H new ATOM 0 HA MET A 126 1.803 -0.375 -14.849 1.00 0.00 H new ATOM 0 HB2 MET A 126 0.005 1.115 -13.847 1.00 0.00 H new ATOM 0 HB3 MET A 126 -0.931 -0.312 -13.451 1.00 0.00 H new ATOM 0 HG2 MET A 126 1.144 -1.158 -12.153 1.00 0.00 H new ATOM 0 HG3 MET A 126 1.825 0.442 -12.368 1.00 0.00 H new ATOM 0 HE1 MET A 126 0.853 1.859 -9.160 1.00 0.00 H new ATOM 0 HE2 MET A 126 2.043 0.706 -9.810 1.00 0.00 H new ATOM 0 HE3 MET A 126 1.626 2.170 -10.732 1.00 0.00 H new ATOM 1422 N VAL A 127 1.919 -2.832 -14.461 1.00 0.00 N ATOM 1423 CA VAL A 127 1.948 -4.302 -14.220 1.00 0.00 C ATOM 1424 C VAL A 127 2.549 -4.646 -12.856 1.00 0.00 C ATOM 1425 O VAL A 127 3.716 -4.425 -12.604 1.00 0.00 O ATOM 1426 CB VAL A 127 2.818 -4.860 -15.344 1.00 0.00 C ATOM 1427 CG1 VAL A 127 2.754 -6.386 -15.326 1.00 0.00 C ATOM 1428 CG2 VAL A 127 2.302 -4.343 -16.689 1.00 0.00 C ATOM 0 H VAL A 127 2.824 -2.397 -14.640 1.00 0.00 H new ATOM 0 HA VAL A 127 0.943 -4.724 -14.213 1.00 0.00 H new ATOM 0 HB VAL A 127 3.850 -4.538 -15.202 1.00 0.00 H new ATOM 0 HG11 VAL A 127 3.375 -6.786 -16.128 1.00 0.00 H new ATOM 0 HG12 VAL A 127 3.119 -6.754 -14.367 1.00 0.00 H new ATOM 0 HG13 VAL A 127 1.723 -6.709 -15.470 1.00 0.00 H new ATOM 0 HG21 VAL A 127 2.921 -4.740 -17.493 1.00 0.00 H new ATOM 0 HG22 VAL A 127 1.271 -4.666 -16.832 1.00 0.00 H new ATOM 0 HG23 VAL A 127 2.346 -3.254 -16.701 1.00 0.00 H new ATOM 1438 N GLU A 128 1.759 -5.215 -11.985 1.00 0.00 N ATOM 1439 CA GLU A 128 2.279 -5.610 -10.645 1.00 0.00 C ATOM 1440 C GLU A 128 2.438 -7.133 -10.603 1.00 0.00 C ATOM 1441 O GLU A 128 3.146 -7.678 -9.779 1.00 0.00 O ATOM 1442 CB GLU A 128 1.223 -5.143 -9.643 1.00 0.00 C ATOM 1443 CG GLU A 128 1.667 -5.510 -8.226 1.00 0.00 C ATOM 1444 CD GLU A 128 0.579 -5.109 -7.228 1.00 0.00 C ATOM 1445 OE1 GLU A 128 -0.470 -4.671 -7.669 1.00 0.00 O ATOM 1446 OE2 GLU A 128 0.814 -5.250 -6.038 1.00 0.00 O ATOM 0 H GLU A 128 0.773 -5.424 -12.145 1.00 0.00 H new ATOM 0 HA GLU A 128 3.251 -5.170 -10.421 1.00 0.00 H new ATOM 0 HB2 GLU A 128 1.081 -4.065 -9.724 1.00 0.00 H new ATOM 0 HB3 GLU A 128 0.263 -5.608 -9.867 1.00 0.00 H new ATOM 0 HG2 GLU A 128 1.859 -6.581 -8.160 1.00 0.00 H new ATOM 0 HG3 GLU A 128 2.601 -5.003 -7.984 1.00 0.00 H new ATOM 1453 N GLY A 129 1.787 -7.819 -11.506 1.00 0.00 N ATOM 1454 CA GLY A 129 1.897 -9.307 -11.556 1.00 0.00 C ATOM 1455 C GLY A 129 1.178 -9.938 -10.364 1.00 0.00 C ATOM 1456 O GLY A 129 0.375 -9.310 -9.702 1.00 0.00 O ATOM 0 H GLY A 129 1.180 -7.409 -12.216 1.00 0.00 H new ATOM 0 HA2 GLY A 129 1.466 -9.678 -12.486 1.00 0.00 H new ATOM 0 HA3 GLY A 129 2.947 -9.600 -11.552 1.00 0.00 H new ATOM 1460 N ARG A 130 1.462 -11.185 -10.094 1.00 0.00 N ATOM 1461 CA ARG A 130 0.808 -11.883 -8.950 1.00 0.00 C ATOM 1462 C ARG A 130 1.859 -12.625 -8.119 1.00 0.00 C ATOM 1463 O ARG A 130 1.764 -12.706 -6.910 1.00 0.00 O ATOM 1464 CB ARG A 130 -0.163 -12.875 -9.596 1.00 0.00 C ATOM 1465 CG ARG A 130 -1.095 -13.452 -8.527 1.00 0.00 C ATOM 1466 CD ARG A 130 -1.988 -14.526 -9.152 1.00 0.00 C ATOM 1467 NE ARG A 130 -2.617 -15.222 -7.995 1.00 0.00 N ATOM 1468 CZ ARG A 130 -3.466 -16.191 -8.196 1.00 0.00 C ATOM 1469 NH1 ARG A 130 -4.257 -16.163 -9.234 1.00 0.00 N ATOM 1470 NH2 ARG A 130 -3.524 -17.193 -7.359 1.00 0.00 N ATOM 0 H ARG A 130 2.124 -11.753 -10.622 1.00 0.00 H new ATOM 0 HA ARG A 130 0.298 -11.193 -8.278 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -0.746 -12.377 -10.371 1.00 0.00 H new ATOM 0 HB3 ARG A 130 0.391 -13.678 -10.081 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -0.510 -13.879 -7.712 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -1.708 -12.659 -8.098 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -2.741 -14.083 -9.804 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -1.406 -15.218 -9.761 1.00 0.00 H new ATOM 0 HE ARG A 130 -2.383 -14.940 -7.043 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -4.211 -15.382 -9.889 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -4.921 -16.922 -9.390 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -2.905 -17.217 -6.549 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -4.188 -17.951 -7.516 1.00 0.00 H new ATOM 1484 N LYS A 131 2.862 -13.164 -8.758 1.00 0.00 N ATOM 1485 CA LYS A 131 3.920 -13.899 -8.005 1.00 0.00 C ATOM 1486 C LYS A 131 4.758 -12.921 -7.175 1.00 0.00 C ATOM 1487 O LYS A 131 4.264 -11.842 -6.889 1.00 0.00 O ATOM 1488 CB LYS A 131 4.784 -14.562 -9.080 1.00 0.00 C ATOM 1489 CG LYS A 131 3.960 -15.613 -9.825 1.00 0.00 C ATOM 1490 CD LYS A 131 4.314 -15.577 -11.313 1.00 0.00 C ATOM 1491 CE LYS A 131 3.547 -16.679 -12.051 1.00 0.00 C ATOM 1492 NZ LYS A 131 3.651 -16.329 -13.498 1.00 0.00 N ATOM 1493 OXT LYS A 131 5.879 -13.268 -6.843 1.00 0.00 O ATOM 0 H LYS A 131 2.995 -13.127 -9.769 1.00 0.00 H new ATOM 0 HA LYS A 131 3.500 -14.627 -7.311 1.00 0.00 H new ATOM 0 HB2 LYS A 131 5.152 -13.811 -9.779 1.00 0.00 H new ATOM 0 HB3 LYS A 131 5.657 -15.027 -8.623 1.00 0.00 H new ATOM 0 HG2 LYS A 131 4.159 -16.604 -9.417 1.00 0.00 H new ATOM 0 HG3 LYS A 131 2.896 -15.420 -9.689 1.00 0.00 H new ATOM 0 HD2 LYS A 131 4.064 -14.603 -11.733 1.00 0.00 H new ATOM 0 HD3 LYS A 131 5.387 -15.716 -11.445 1.00 0.00 H new ATOM 0 HE2 LYS A 131 3.978 -17.660 -11.851 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.506 -16.717 -11.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 3.283 -17.114 -14.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 3.095 -15.471 -13.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 4.647 -16.158 -13.743 1.00 0.00 H new