USER MOD reduce.3.24.130724 H: found=0, std=0, add=1135, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1137 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 132 SER OG : rot 160:sc= -0.152 USER MOD Set 1.2: A 135 GLN : amide:sc= -1.83 X(o=-2,f=-1.6) USER MOD Set 2.1: A 113 SER OG : rot 180:sc= -0.168 USER MOD Set 2.2: A 117 GLN : amide:sc= -2.22! K(o=-2.4!,f=-1.5) USER MOD Set 3.1: A 106 SER OG : rot -107:sc= 0.277 USER MOD Set 3.2: A 110 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.0664) USER MOD Set 4.1: A 3 ASN : amide:sc= -2.36 K(o=-6.2,f=-4.1!) USER MOD Set 4.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 63 ASN : amide:sc= -3.85 K(o=-6.2,f=-4.1) USER MOD Set 5.1: A 21 MET CE :methyl -151:sc= -5.38! (180deg=-7.7!) USER MOD Set 5.2: A 28 CYS SG : rot 65:sc= -0.18 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.598 X(o=-0.6,f=-0.34) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -4.7! C(o=-4.7!,f=-2.4!) USER MOD Single : A 15 HIS : no HD1:sc= -4.43! C(o=-4.4!,f=-4.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -33:sc= -1.5 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.338 USER MOD Single : A 24 CYS SG : rot -90:sc= -3.96! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -4.38 K(o=-4.4,f=-14!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -161:sc=-0.00227 (180deg=-0.196) USER MOD Single : A 46 GLN : amide:sc= -7.3! C(o=-7.3!,f=-7.2!) USER MOD Single : A 55 SER OG : rot -150:sc= -0.0151 USER MOD Single : A 57 LYS NZ :NH3+ 163:sc=-0.00998 (180deg=-0.164) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 146:sc= -4.06 (180deg=-8.81!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -2.96 K(o=-3,f=-8.2!) USER MOD Single : A 78 LYS NZ :NH3+ 146:sc= -0.073 (180deg=-0.197) USER MOD Single : A 80 SER OG : rot -21:sc= 0.778 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.557 X(o=-0.56,f=-0.6) USER MOD Single : A 86 CYS SG : rot 180:sc= -0.0867 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.725 K(o=-0.72,f=-4.7!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -139:sc= 0.651 (180deg=-0.232) USER MOD Single : A 102 ASN : amide:sc= -6.69! C(o=-6.7!,f=-16!) USER MOD Single : A 104 LYS NZ :NH3+ -154:sc= -0.142 (180deg=-0.722) USER MOD Single : A 120 GLN : amide:sc= -6.69! C(o=-6.7!,f=-9.7!) USER MOD Single : A 122 MET CE :methyl 143:sc= -6.33! (180deg=-10.4!) USER MOD Single : A 125 SER OG : rot 180:sc= -0.0172 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -4.64! C(o=-4.6!,f=-5.3!) USER MOD Single : A 138 GLN : amide:sc= -2.12! K(o=-2.1!,f=-0.24) USER MOD Single : A 139 GLN : amide:sc=-0.00184 X(o=-0.0018,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -18.281 -0.325 -5.426 1.00 0.00 N ATOM 21 CA GLU A 2 -17.801 -1.207 -6.483 1.00 0.00 C ATOM 22 C GLU A 2 -16.278 -1.298 -6.468 1.00 0.00 C ATOM 23 O GLU A 2 -15.705 -2.321 -6.843 1.00 0.00 O ATOM 24 CB GLU A 2 -18.280 -0.708 -7.847 1.00 0.00 C ATOM 25 CG GLU A 2 -19.777 -0.453 -7.910 1.00 0.00 C ATOM 26 CD GLU A 2 -20.119 1.023 -7.845 1.00 0.00 C ATOM 27 OE1 GLU A 2 -19.605 1.789 -8.687 1.00 0.00 O ATOM 28 OE2 GLU A 2 -20.900 1.413 -6.951 1.00 0.00 O ATOM 0 HA GLU A 2 -18.207 -2.202 -6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -17.752 0.213 -8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -18.012 -1.442 -8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -20.175 -0.874 -8.833 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -20.266 -0.972 -7.086 1.00 0.00 H new ATOM 35 N ASN A 3 -15.629 -0.222 -6.037 1.00 0.00 N ATOM 36 CA ASN A 3 -14.174 -0.180 -5.977 1.00 0.00 C ATOM 37 C ASN A 3 -13.662 -0.774 -4.670 1.00 0.00 C ATOM 38 O ASN A 3 -12.593 -1.385 -4.631 1.00 0.00 O ATOM 39 CB ASN A 3 -13.681 1.259 -6.101 1.00 0.00 C ATOM 40 CG ASN A 3 -14.272 1.985 -7.289 1.00 0.00 C ATOM 41 OD1 ASN A 3 -14.990 1.399 -8.099 1.00 0.00 O ATOM 42 ND2 ASN A 3 -13.969 3.272 -7.395 1.00 0.00 N ATOM 0 H ASN A 3 -16.089 0.633 -5.724 1.00 0.00 H new ATOM 0 HA ASN A 3 -13.790 -0.772 -6.807 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.930 1.802 -5.189 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -12.594 1.259 -6.186 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -14.336 3.820 -8.173 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -13.369 3.714 -6.698 1.00 0.00 H new ATOM 49 N LEU A 4 -14.428 -0.586 -3.599 1.00 0.00 N ATOM 50 CA LEU A 4 -14.046 -1.094 -2.288 1.00 0.00 C ATOM 51 C LEU A 4 -13.737 -2.581 -2.357 1.00 0.00 C ATOM 52 O LEU A 4 -12.696 -3.032 -1.886 1.00 0.00 O ATOM 53 CB LEU A 4 -15.159 -0.833 -1.270 1.00 0.00 C ATOM 54 CG LEU A 4 -15.021 0.474 -0.487 1.00 0.00 C ATOM 55 CD1 LEU A 4 -16.388 1.009 -0.095 1.00 0.00 C ATOM 56 CD2 LEU A 4 -14.154 0.265 0.746 1.00 0.00 C ATOM 0 H LEU A 4 -15.317 -0.085 -3.615 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.146 -0.569 -1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -16.116 -0.827 -1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.187 -1.662 -0.563 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.537 1.211 -1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -16.269 1.939 0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -16.977 1.196 -0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -16.900 0.276 0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.066 1.204 1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.611 -0.487 1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.163 -0.072 0.441 1.00 0.00 H new ATOM 68 N LYS A 5 -14.642 -3.337 -2.958 1.00 0.00 N ATOM 69 CA LYS A 5 -14.451 -4.774 -3.094 1.00 0.00 C ATOM 70 C LYS A 5 -13.227 -5.075 -3.953 1.00 0.00 C ATOM 71 O LYS A 5 -12.650 -6.159 -3.869 1.00 0.00 O ATOM 72 CB LYS A 5 -15.696 -5.429 -3.694 1.00 0.00 C ATOM 73 CG LYS A 5 -16.847 -5.562 -2.709 1.00 0.00 C ATOM 74 CD LYS A 5 -18.164 -5.114 -3.323 1.00 0.00 C ATOM 75 CE LYS A 5 -19.245 -4.949 -2.266 1.00 0.00 C ATOM 76 NZ LYS A 5 -20.552 -4.559 -2.863 1.00 0.00 N ATOM 0 H LYS A 5 -15.511 -2.983 -3.358 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.286 -5.191 -2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -16.028 -4.843 -4.551 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.432 -6.418 -4.068 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.931 -6.599 -2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.637 -4.966 -1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -18.019 -4.169 -3.847 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.488 -5.844 -4.065 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -19.361 -5.883 -1.717 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.935 -4.192 -1.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -21.261 -4.457 -2.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -20.448 -3.654 -3.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -20.861 -5.293 -3.532 1.00 0.00 H new ATOM 90 N HIS A 6 -12.826 -4.102 -4.764 1.00 0.00 N ATOM 91 CA HIS A 6 -11.656 -4.256 -5.619 1.00 0.00 C ATOM 92 C HIS A 6 -10.406 -3.843 -4.856 1.00 0.00 C ATOM 93 O HIS A 6 -9.321 -4.385 -5.072 1.00 0.00 O ATOM 94 CB HIS A 6 -11.804 -3.418 -6.891 1.00 0.00 C ATOM 95 CG HIS A 6 -11.434 -4.158 -8.139 1.00 0.00 C ATOM 96 ND1 HIS A 6 -11.874 -5.437 -8.413 1.00 0.00 N ATOM 97 CD2 HIS A 6 -10.662 -3.795 -9.191 1.00 0.00 C ATOM 98 CE1 HIS A 6 -11.386 -5.829 -9.578 1.00 0.00 C ATOM 99 NE2 HIS A 6 -10.649 -4.850 -10.070 1.00 0.00 N ATOM 0 H HIS A 6 -13.294 -3.199 -4.847 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.568 -5.303 -5.910 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -12.836 -3.076 -6.973 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -11.179 -2.529 -6.806 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -10.152 -2.851 -9.315 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.560 -6.786 -10.047 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -10.150 -4.874 -10.960 1.00 0.00 H new ATOM 108 N ILE A 7 -10.575 -2.885 -3.950 1.00 0.00 N ATOM 109 CA ILE A 7 -9.476 -2.397 -3.132 1.00 0.00 C ATOM 110 C ILE A 7 -9.215 -3.353 -1.974 1.00 0.00 C ATOM 111 O ILE A 7 -8.071 -3.700 -1.692 1.00 0.00 O ATOM 112 CB ILE A 7 -9.777 -0.986 -2.581 1.00 0.00 C ATOM 113 CG1 ILE A 7 -9.643 0.048 -3.701 1.00 0.00 C ATOM 114 CG2 ILE A 7 -8.842 -0.637 -1.424 1.00 0.00 C ATOM 115 CD1 ILE A 7 -10.943 0.715 -4.096 1.00 0.00 C ATOM 0 H ILE A 7 -11.469 -2.430 -3.765 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.589 -2.341 -3.763 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.799 -0.975 -2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.936 0.816 -3.387 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.217 -0.438 -4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.076 0.362 -1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.973 -1.361 -0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.809 -0.663 -1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.756 1.432 -4.895 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.648 -0.040 -4.444 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.362 1.234 -3.234 1.00 0.00 H new ATOM 127 N ILE A 8 -10.285 -3.780 -1.311 1.00 0.00 N ATOM 128 CA ILE A 8 -10.165 -4.700 -0.192 1.00 0.00 C ATOM 129 C ILE A 8 -9.562 -6.011 -0.661 1.00 0.00 C ATOM 130 O ILE A 8 -8.611 -6.523 -0.071 1.00 0.00 O ATOM 131 CB ILE A 8 -11.535 -4.983 0.445 1.00 0.00 C ATOM 132 CG1 ILE A 8 -12.201 -3.675 0.874 1.00 0.00 C ATOM 133 CG2 ILE A 8 -11.397 -5.930 1.628 1.00 0.00 C ATOM 134 CD1 ILE A 8 -13.692 -3.802 1.091 1.00 0.00 C ATOM 0 H ILE A 8 -11.242 -3.503 -1.531 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.519 -4.235 0.553 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.168 -5.466 -0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.736 -3.325 1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -12.015 -2.916 0.114 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.379 -6.115 2.062 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.966 -6.873 1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.747 -5.481 2.379 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.099 -2.837 1.393 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.169 -4.123 0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.885 -4.538 1.872 1.00 0.00 H new ATOM 146 N THR A 9 -10.117 -6.537 -1.745 1.00 0.00 N ATOM 147 CA THR A 9 -9.628 -7.782 -2.319 1.00 0.00 C ATOM 148 C THR A 9 -8.165 -7.620 -2.704 1.00 0.00 C ATOM 149 O THR A 9 -7.328 -8.467 -2.392 1.00 0.00 O ATOM 150 CB THR A 9 -10.464 -8.181 -3.537 1.00 0.00 C ATOM 151 OG1 THR A 9 -10.284 -9.553 -3.842 1.00 0.00 O ATOM 152 CG2 THR A 9 -10.126 -7.388 -4.781 1.00 0.00 C ATOM 0 H THR A 9 -10.904 -6.122 -2.243 1.00 0.00 H new ATOM 0 HA THR A 9 -9.718 -8.576 -1.578 1.00 0.00 H new ATOM 0 HB THR A 9 -11.497 -7.970 -3.259 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.828 -9.789 -4.622 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.755 -7.721 -5.607 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.301 -6.328 -4.596 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.078 -7.543 -5.038 1.00 0.00 H new ATOM 160 N LEU A 10 -7.862 -6.505 -3.364 1.00 0.00 N ATOM 161 CA LEU A 10 -6.498 -6.215 -3.764 1.00 0.00 C ATOM 162 C LEU A 10 -5.652 -5.980 -2.528 1.00 0.00 C ATOM 163 O LEU A 10 -4.467 -6.314 -2.499 1.00 0.00 O ATOM 164 CB LEU A 10 -6.436 -4.998 -4.687 1.00 0.00 C ATOM 165 CG LEU A 10 -5.047 -4.692 -5.257 1.00 0.00 C ATOM 166 CD1 LEU A 10 -4.291 -5.980 -5.565 1.00 0.00 C ATOM 167 CD2 LEU A 10 -5.163 -3.830 -6.506 1.00 0.00 C ATOM 0 H LEU A 10 -8.543 -5.794 -3.630 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.109 -7.069 -4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.127 -5.153 -5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.788 -4.125 -4.137 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.484 -4.139 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.308 -5.737 -5.968 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.174 -6.561 -4.650 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.850 -6.564 -6.297 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.168 -3.622 -6.898 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.747 -4.358 -7.260 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.658 -2.892 -6.256 1.00 0.00 H new ATOM 179 N GLY A 11 -6.277 -5.436 -1.487 1.00 0.00 N ATOM 180 CA GLY A 11 -5.562 -5.213 -0.255 1.00 0.00 C ATOM 181 C GLY A 11 -5.102 -6.529 0.326 1.00 0.00 C ATOM 182 O GLY A 11 -4.088 -6.594 1.018 1.00 0.00 O ATOM 0 H GLY A 11 -7.256 -5.150 -1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.703 -4.567 -0.436 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.204 -4.697 0.458 1.00 0.00 H new ATOM 186 N GLN A 12 -5.849 -7.589 0.013 1.00 0.00 N ATOM 187 CA GLN A 12 -5.516 -8.929 0.477 1.00 0.00 C ATOM 188 C GLN A 12 -4.432 -9.530 -0.400 1.00 0.00 C ATOM 189 O GLN A 12 -3.543 -10.230 0.084 1.00 0.00 O ATOM 190 CB GLN A 12 -6.755 -9.827 0.458 1.00 0.00 C ATOM 191 CG GLN A 12 -7.821 -9.414 1.454 1.00 0.00 C ATOM 192 CD GLN A 12 -7.283 -9.308 2.865 1.00 0.00 C ATOM 193 OE1 GLN A 12 -6.405 -10.069 3.269 1.00 0.00 O ATOM 194 NE2 GLN A 12 -7.812 -8.358 3.624 1.00 0.00 N ATOM 0 H GLN A 12 -6.690 -7.541 -0.562 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.150 -8.858 1.501 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.184 -9.819 -0.544 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.453 -10.853 0.667 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.241 -8.454 1.155 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.635 -10.139 1.432 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.538 -7.749 3.247 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.492 -8.236 4.585 1.00 0.00 H new ATOM 203 N VAL A 13 -4.501 -9.238 -1.693 1.00 0.00 N ATOM 204 CA VAL A 13 -3.511 -9.733 -2.632 1.00 0.00 C ATOM 205 C VAL A 13 -2.193 -9.034 -2.379 1.00 0.00 C ATOM 206 O VAL A 13 -1.194 -9.666 -2.049 1.00 0.00 O ATOM 207 CB VAL A 13 -3.955 -9.501 -4.082 1.00 0.00 C ATOM 208 CG1 VAL A 13 -2.796 -9.680 -5.052 1.00 0.00 C ATOM 209 CG2 VAL A 13 -5.101 -10.434 -4.424 1.00 0.00 C ATOM 0 H VAL A 13 -5.232 -8.662 -2.111 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.398 -10.807 -2.484 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.299 -8.471 -4.178 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.144 -9.509 -6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.008 -8.966 -4.813 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.405 -10.694 -4.968 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.412 -10.265 -5.455 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.776 -11.468 -4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.940 -10.240 -3.755 1.00 0.00 H new ATOM 219 N ILE A 14 -2.211 -7.713 -2.497 1.00 0.00 N ATOM 220 CA ILE A 14 -1.027 -6.912 -2.239 1.00 0.00 C ATOM 221 C ILE A 14 -0.370 -7.383 -0.944 1.00 0.00 C ATOM 222 O ILE A 14 0.849 -7.333 -0.792 1.00 0.00 O ATOM 223 CB ILE A 14 -1.399 -5.414 -2.128 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.912 -4.644 -3.354 1.00 0.00 C ATOM 225 CG2 ILE A 14 -0.846 -4.792 -0.854 1.00 0.00 C ATOM 226 CD1 ILE A 14 -1.678 -3.365 -3.583 1.00 0.00 C ATOM 0 H ILE A 14 -3.034 -7.175 -2.770 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.329 -7.033 -3.068 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.486 -5.349 -2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.146 -4.412 -3.235 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.002 -5.279 -4.235 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.127 -3.740 -0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.255 -5.313 0.012 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.241 -4.877 -0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.288 -2.861 -4.467 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.733 -3.594 -3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.567 -2.714 -2.716 1.00 0.00 H new ATOM 238 N HIS A 15 -1.206 -7.850 -0.019 1.00 0.00 N ATOM 239 CA HIS A 15 -0.740 -8.344 1.263 1.00 0.00 C ATOM 240 C HIS A 15 -0.298 -9.804 1.157 1.00 0.00 C ATOM 241 O HIS A 15 0.687 -10.204 1.778 1.00 0.00 O ATOM 242 CB HIS A 15 -1.850 -8.176 2.305 1.00 0.00 C ATOM 243 CG HIS A 15 -1.966 -9.302 3.278 1.00 0.00 C ATOM 244 ND1 HIS A 15 -2.957 -10.251 3.198 1.00 0.00 N ATOM 245 CD2 HIS A 15 -1.214 -9.631 4.354 1.00 0.00 C ATOM 246 CE1 HIS A 15 -2.814 -11.115 4.179 1.00 0.00 C ATOM 247 NE2 HIS A 15 -1.763 -10.764 4.898 1.00 0.00 N ATOM 0 H HIS A 15 -2.218 -7.894 -0.141 1.00 0.00 H new ATOM 0 HA HIS A 15 0.129 -7.765 1.576 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.675 -7.253 2.857 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.802 -8.062 1.787 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -0.345 -9.101 4.716 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.449 -11.968 4.365 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.417 -11.255 5.722 1.00 0.00 H new ATOM 256 N LYS A 16 -1.021 -10.598 0.369 1.00 0.00 N ATOM 257 CA LYS A 16 -0.673 -12.002 0.203 1.00 0.00 C ATOM 258 C LYS A 16 0.572 -12.136 -0.667 1.00 0.00 C ATOM 259 O LYS A 16 1.489 -12.884 -0.340 1.00 0.00 O ATOM 260 CB LYS A 16 -1.849 -12.792 -0.388 1.00 0.00 C ATOM 261 CG LYS A 16 -1.932 -12.767 -1.907 1.00 0.00 C ATOM 262 CD LYS A 16 -3.300 -13.215 -2.390 1.00 0.00 C ATOM 263 CE LYS A 16 -3.422 -14.730 -2.395 1.00 0.00 C ATOM 264 NZ LYS A 16 -4.730 -15.181 -2.944 1.00 0.00 N ATOM 0 H LYS A 16 -1.841 -10.295 -0.157 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.453 -12.424 1.184 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.775 -13.828 -0.059 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.778 -12.394 0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.728 -11.759 -2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.164 -13.417 -2.326 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.071 -12.789 -1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.475 -12.832 -3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.613 -15.157 -2.988 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.306 -15.107 -1.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.773 -16.220 -2.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.502 -14.795 -2.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.831 -14.844 -3.923 1.00 0.00 H new ATOM 278 N ARG A 17 0.604 -11.386 -1.765 1.00 0.00 N ATOM 279 CA ARG A 17 1.746 -11.402 -2.667 1.00 0.00 C ATOM 280 C ARG A 17 2.995 -10.945 -1.928 1.00 0.00 C ATOM 281 O ARG A 17 4.056 -11.558 -2.039 1.00 0.00 O ATOM 282 CB ARG A 17 1.488 -10.498 -3.875 1.00 0.00 C ATOM 283 CG ARG A 17 0.771 -11.200 -5.018 1.00 0.00 C ATOM 284 CD ARG A 17 1.293 -10.742 -6.370 1.00 0.00 C ATOM 285 NE ARG A 17 1.442 -11.855 -7.305 1.00 0.00 N ATOM 286 CZ ARG A 17 0.421 -12.443 -7.925 1.00 0.00 C ATOM 287 NH1 ARG A 17 -0.822 -12.025 -7.716 1.00 0.00 N ATOM 288 NH2 ARG A 17 0.644 -13.450 -8.758 1.00 0.00 N ATOM 0 H ARG A 17 -0.149 -10.760 -2.050 1.00 0.00 H new ATOM 0 HA ARG A 17 1.896 -12.421 -3.024 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.895 -9.641 -3.557 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.440 -10.110 -4.238 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.901 -12.278 -4.923 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.299 -11.002 -4.954 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.610 -10.004 -6.791 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.256 -10.248 -6.238 1.00 0.00 H new ATOM 0 HE ARG A 17 2.383 -12.201 -7.494 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.999 -11.249 -7.078 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.600 -12.480 -8.194 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.597 -13.774 -8.923 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.138 -13.901 -9.233 1.00 0.00 H new ATOM 302 N CYS A 18 2.853 -9.871 -1.155 1.00 0.00 N ATOM 303 CA CYS A 18 3.966 -9.346 -0.378 1.00 0.00 C ATOM 304 C CYS A 18 4.357 -10.349 0.697 1.00 0.00 C ATOM 305 O CYS A 18 5.532 -10.511 1.018 1.00 0.00 O ATOM 306 CB CYS A 18 3.603 -7.993 0.246 1.00 0.00 C ATOM 307 SG CYS A 18 2.687 -8.090 1.803 1.00 0.00 S ATOM 0 H CYS A 18 1.981 -9.351 -1.052 1.00 0.00 H new ATOM 0 HA CYS A 18 4.817 -9.189 -1.041 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.521 -7.431 0.416 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.010 -7.426 -0.472 1.00 0.00 H new ATOM 0 HG CYS A 18 1.916 -9.137 1.789 1.00 0.00 H new ATOM 313 N GLU A 19 3.357 -11.041 1.235 1.00 0.00 N ATOM 314 CA GLU A 19 3.598 -12.051 2.252 1.00 0.00 C ATOM 315 C GLU A 19 4.490 -13.143 1.675 1.00 0.00 C ATOM 316 O GLU A 19 5.312 -13.731 2.377 1.00 0.00 O ATOM 317 CB GLU A 19 2.276 -12.648 2.742 1.00 0.00 C ATOM 318 CG GLU A 19 1.941 -12.286 4.179 1.00 0.00 C ATOM 319 CD GLU A 19 2.872 -12.942 5.177 1.00 0.00 C ATOM 320 OE1 GLU A 19 2.849 -14.187 5.283 1.00 0.00 O ATOM 321 OE2 GLU A 19 3.627 -12.212 5.856 1.00 0.00 O ATOM 0 H GLU A 19 2.376 -10.919 0.983 1.00 0.00 H new ATOM 0 HA GLU A 19 4.096 -11.588 3.104 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.470 -12.306 2.093 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.321 -13.733 2.650 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.991 -11.204 4.298 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.915 -12.584 4.395 1.00 0.00 H new ATOM 328 N GLU A 20 4.323 -13.395 0.378 1.00 0.00 N ATOM 329 CA GLU A 20 5.119 -14.407 -0.313 1.00 0.00 C ATOM 330 C GLU A 20 6.475 -13.839 -0.726 1.00 0.00 C ATOM 331 O GLU A 20 7.461 -14.570 -0.818 1.00 0.00 O ATOM 332 CB GLU A 20 4.385 -14.931 -1.550 1.00 0.00 C ATOM 333 CG GLU A 20 2.873 -14.882 -1.436 1.00 0.00 C ATOM 334 CD GLU A 20 2.201 -16.115 -2.010 1.00 0.00 C ATOM 335 OE1 GLU A 20 2.008 -17.092 -1.257 1.00 0.00 O ATOM 336 OE2 GLU A 20 1.870 -16.103 -3.215 1.00 0.00 O ATOM 0 H GLU A 20 3.646 -12.914 -0.214 1.00 0.00 H new ATOM 0 HA GLU A 20 5.275 -15.234 0.380 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.693 -14.347 -2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.692 -15.961 -1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.595 -14.777 -0.387 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.502 -13.997 -1.954 1.00 0.00 H new ATOM 343 N MET A 21 6.513 -12.531 -0.979 1.00 0.00 N ATOM 344 CA MET A 21 7.749 -11.858 -1.389 1.00 0.00 C ATOM 345 C MET A 21 8.939 -12.319 -0.552 1.00 0.00 C ATOM 346 O MET A 21 8.908 -12.261 0.677 1.00 0.00 O ATOM 347 CB MET A 21 7.601 -10.338 -1.271 1.00 0.00 C ATOM 348 CG MET A 21 6.829 -9.703 -2.415 1.00 0.00 C ATOM 349 SD MET A 21 7.730 -9.762 -3.976 1.00 0.00 S ATOM 350 CE MET A 21 8.348 -8.084 -4.090 1.00 0.00 C ATOM 0 H MET A 21 5.703 -11.915 -0.908 1.00 0.00 H new ATOM 0 HA MET A 21 7.933 -12.124 -2.430 1.00 0.00 H new ATOM 0 HB2 MET A 21 7.098 -10.104 -0.333 1.00 0.00 H new ATOM 0 HB3 MET A 21 8.593 -9.889 -1.222 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.873 -10.214 -2.532 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.607 -8.665 -2.167 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.456 -7.807 -5.139 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.647 -7.404 -3.605 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.317 -8.019 -3.596 1.00 0.00 H new ATOM 360 N LYS A 22 9.987 -12.770 -1.231 1.00 0.00 N ATOM 361 CA LYS A 22 11.192 -13.237 -0.558 1.00 0.00 C ATOM 362 C LYS A 22 12.285 -12.170 -0.594 1.00 0.00 C ATOM 363 O LYS A 22 13.265 -12.248 0.146 1.00 0.00 O ATOM 364 CB LYS A 22 11.700 -14.526 -1.209 1.00 0.00 C ATOM 365 CG LYS A 22 12.288 -15.517 -0.218 1.00 0.00 C ATOM 366 CD LYS A 22 12.471 -16.890 -0.845 1.00 0.00 C ATOM 367 CE LYS A 22 12.481 -17.986 0.209 1.00 0.00 C ATOM 368 NZ LYS A 22 11.839 -19.238 -0.281 1.00 0.00 N ATOM 0 H LYS A 22 10.026 -12.822 -2.249 1.00 0.00 H new ATOM 0 HA LYS A 22 10.940 -13.439 0.483 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.877 -15.003 -1.742 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.457 -14.274 -1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.249 -15.148 0.140 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.634 -15.597 0.650 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.667 -17.076 -1.557 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.406 -16.914 -1.405 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.509 -18.197 0.503 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.960 -17.636 1.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.867 -19.959 0.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.850 -19.044 -0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.351 -19.587 -1.116 1.00 0.00 H new ATOM 382 N TYR A 23 12.109 -11.174 -1.459 1.00 0.00 N ATOM 383 CA TYR A 23 13.081 -10.094 -1.588 1.00 0.00 C ATOM 384 C TYR A 23 12.517 -8.789 -1.041 1.00 0.00 C ATOM 385 O TYR A 23 11.334 -8.496 -1.206 1.00 0.00 O ATOM 386 CB TYR A 23 13.489 -9.919 -3.049 1.00 0.00 C ATOM 387 CG TYR A 23 14.693 -10.745 -3.441 1.00 0.00 C ATOM 388 CD1 TYR A 23 14.558 -12.084 -3.783 1.00 0.00 C ATOM 389 CD2 TYR A 23 15.963 -10.185 -3.467 1.00 0.00 C ATOM 390 CE1 TYR A 23 15.655 -12.844 -4.139 1.00 0.00 C ATOM 391 CE2 TYR A 23 17.066 -10.938 -3.823 1.00 0.00 C ATOM 392 CZ TYR A 23 16.908 -12.265 -4.158 1.00 0.00 C ATOM 393 OH TYR A 23 18.003 -13.018 -4.512 1.00 0.00 O ATOM 0 H TYR A 23 11.303 -11.093 -2.080 1.00 0.00 H new ATOM 0 HA TYR A 23 13.963 -10.359 -1.004 1.00 0.00 H new ATOM 0 HB2 TYR A 23 12.648 -10.190 -3.688 1.00 0.00 H new ATOM 0 HB3 TYR A 23 13.704 -8.867 -3.235 1.00 0.00 H new ATOM 0 HD1 TYR A 23 13.579 -12.539 -3.770 1.00 0.00 H new ATOM 0 HD2 TYR A 23 16.091 -9.145 -3.205 1.00 0.00 H new ATOM 0 HE1 TYR A 23 15.533 -13.885 -4.401 1.00 0.00 H new ATOM 0 HE2 TYR A 23 18.048 -10.488 -3.839 1.00 0.00 H new ATOM 0 HH TYR A 23 18.809 -12.461 -4.476 1.00 0.00 H new ATOM 403 N CYS A 24 13.375 -8.009 -0.387 1.00 0.00 N ATOM 404 CA CYS A 24 12.969 -6.732 0.191 1.00 0.00 C ATOM 405 C CYS A 24 11.650 -6.868 0.948 1.00 0.00 C ATOM 406 O CYS A 24 10.815 -5.964 0.931 1.00 0.00 O ATOM 407 CB CYS A 24 12.842 -5.673 -0.904 1.00 0.00 C ATOM 408 SG CYS A 24 14.387 -5.333 -1.779 1.00 0.00 S ATOM 0 H CYS A 24 14.358 -8.241 -0.244 1.00 0.00 H new ATOM 0 HA CYS A 24 13.737 -6.420 0.899 1.00 0.00 H new ATOM 0 HB2 CYS A 24 12.092 -5.998 -1.625 1.00 0.00 H new ATOM 0 HB3 CYS A 24 12.477 -4.747 -0.460 1.00 0.00 H new ATOM 0 HG CYS A 24 15.026 -4.375 -1.175 1.00 0.00 H new ATOM 414 N LYS A 25 11.473 -8.009 1.610 1.00 0.00 N ATOM 415 CA LYS A 25 10.259 -8.276 2.375 1.00 0.00 C ATOM 416 C LYS A 25 9.925 -7.113 3.304 1.00 0.00 C ATOM 417 O LYS A 25 8.762 -6.888 3.636 1.00 0.00 O ATOM 418 CB LYS A 25 10.414 -9.560 3.192 1.00 0.00 C ATOM 419 CG LYS A 25 10.980 -10.725 2.397 1.00 0.00 C ATOM 420 CD LYS A 25 10.766 -12.048 3.117 1.00 0.00 C ATOM 421 CE LYS A 25 12.022 -12.903 3.100 1.00 0.00 C ATOM 422 NZ LYS A 25 12.800 -12.773 4.364 1.00 0.00 N ATOM 0 H LYS A 25 12.157 -8.765 1.632 1.00 0.00 H new ATOM 0 HA LYS A 25 9.440 -8.397 1.666 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.065 -9.362 4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.441 -9.844 3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.505 -10.762 1.416 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.046 -10.569 2.230 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.468 -11.858 4.148 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.948 -12.592 2.644 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.748 -13.947 2.948 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.648 -12.612 2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.649 -13.372 4.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.083 -11.781 4.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.212 -13.075 5.166 1.00 0.00 H new ATOM 436 N LYS A 26 10.950 -6.375 3.719 1.00 0.00 N ATOM 437 CA LYS A 26 10.762 -5.235 4.610 1.00 0.00 C ATOM 438 C LYS A 26 9.682 -4.299 4.076 1.00 0.00 C ATOM 439 O LYS A 26 8.697 -4.017 4.760 1.00 0.00 O ATOM 440 CB LYS A 26 12.077 -4.473 4.779 1.00 0.00 C ATOM 441 CG LYS A 26 13.153 -5.270 5.498 1.00 0.00 C ATOM 442 CD LYS A 26 14.389 -5.454 4.631 1.00 0.00 C ATOM 443 CE LYS A 26 15.358 -6.451 5.247 1.00 0.00 C ATOM 444 NZ LYS A 26 15.208 -7.809 4.655 1.00 0.00 N ATOM 0 H LYS A 26 11.920 -6.546 3.452 1.00 0.00 H new ATOM 0 HA LYS A 26 10.441 -5.612 5.581 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.448 -4.182 3.796 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.886 -3.554 5.333 1.00 0.00 H new ATOM 0 HG2 LYS A 26 13.428 -4.760 6.421 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.757 -6.246 5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.092 -5.798 3.640 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.888 -4.494 4.499 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.380 -6.102 5.100 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.190 -6.503 6.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.886 -8.459 5.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.240 -8.153 4.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.393 -7.764 3.633 1.00 0.00 H new ATOM 458 N GLN A 27 9.868 -3.825 2.849 1.00 0.00 N ATOM 459 CA GLN A 27 8.906 -2.926 2.228 1.00 0.00 C ATOM 460 C GLN A 27 7.669 -3.693 1.778 1.00 0.00 C ATOM 461 O GLN A 27 6.539 -3.253 1.990 1.00 0.00 O ATOM 462 CB GLN A 27 9.544 -2.207 1.038 1.00 0.00 C ATOM 463 CG GLN A 27 10.921 -1.636 1.338 1.00 0.00 C ATOM 464 CD GLN A 27 12.042 -2.584 0.963 1.00 0.00 C ATOM 465 OE1 GLN A 27 12.120 -3.704 1.471 1.00 0.00 O ATOM 466 NE2 GLN A 27 12.921 -2.141 0.071 1.00 0.00 N ATOM 0 H GLN A 27 10.675 -4.049 2.267 1.00 0.00 H new ATOM 0 HA GLN A 27 8.603 -2.183 2.966 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.623 -2.903 0.203 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.887 -1.399 0.718 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.047 -0.699 0.796 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.989 -1.402 2.400 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.819 -1.207 -0.325 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.698 -2.735 -0.218 1.00 0.00 H new ATOM 475 N CYS A 28 7.889 -4.849 1.160 1.00 0.00 N ATOM 476 CA CYS A 28 6.791 -5.679 0.684 1.00 0.00 C ATOM 477 C CYS A 28 5.825 -6.013 1.817 1.00 0.00 C ATOM 478 O CYS A 28 4.643 -5.670 1.758 1.00 0.00 O ATOM 479 CB CYS A 28 7.332 -6.968 0.063 1.00 0.00 C ATOM 480 SG CYS A 28 8.650 -6.710 -1.148 1.00 0.00 S ATOM 0 H CYS A 28 8.817 -5.231 0.978 1.00 0.00 H new ATOM 0 HA CYS A 28 6.248 -5.116 -0.075 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.706 -7.612 0.859 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.511 -7.499 -0.418 1.00 0.00 H new ATOM 0 HG CYS A 28 9.691 -6.204 -0.556 1.00 0.00 H new ATOM 486 N ARG A 29 6.331 -6.686 2.844 1.00 0.00 N ATOM 487 CA ARG A 29 5.509 -7.073 3.987 1.00 0.00 C ATOM 488 C ARG A 29 4.756 -5.873 4.557 1.00 0.00 C ATOM 489 O ARG A 29 3.608 -5.997 4.984 1.00 0.00 O ATOM 490 CB ARG A 29 6.377 -7.716 5.074 1.00 0.00 C ATOM 491 CG ARG A 29 7.208 -6.722 5.872 1.00 0.00 C ATOM 492 CD ARG A 29 8.439 -7.381 6.472 1.00 0.00 C ATOM 493 NE ARG A 29 8.762 -6.840 7.790 1.00 0.00 N ATOM 494 CZ ARG A 29 8.136 -7.194 8.911 1.00 0.00 C ATOM 495 NH1 ARG A 29 7.157 -8.090 8.878 1.00 0.00 N ATOM 496 NH2 ARG A 29 8.492 -6.653 10.068 1.00 0.00 N ATOM 0 H ARG A 29 7.307 -6.976 2.910 1.00 0.00 H new ATOM 0 HA ARG A 29 4.775 -7.801 3.641 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.733 -8.268 5.759 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.045 -8.441 4.609 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.513 -5.899 5.225 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.599 -6.293 6.668 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.272 -8.455 6.552 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.288 -7.239 5.804 1.00 0.00 H new ATOM 0 HE ARG A 29 9.511 -6.151 7.856 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.881 -8.511 7.991 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.681 -8.357 9.740 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.245 -5.966 10.099 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.013 -6.924 10.927 1.00 0.00 H new ATOM 510 N ARG A 30 5.409 -4.715 4.567 1.00 0.00 N ATOM 511 CA ARG A 30 4.794 -3.501 5.092 1.00 0.00 C ATOM 512 C ARG A 30 3.706 -2.978 4.162 1.00 0.00 C ATOM 513 O ARG A 30 2.594 -2.696 4.601 1.00 0.00 O ATOM 514 CB ARG A 30 5.847 -2.416 5.305 1.00 0.00 C ATOM 515 CG ARG A 30 6.346 -2.326 6.740 1.00 0.00 C ATOM 516 CD ARG A 30 7.838 -2.040 6.797 1.00 0.00 C ATOM 517 NE ARG A 30 8.228 -1.415 8.059 1.00 0.00 N ATOM 518 CZ ARG A 30 8.319 -2.069 9.214 1.00 0.00 C ATOM 519 NH1 ARG A 30 8.052 -3.369 9.271 1.00 0.00 N ATOM 520 NH2 ARG A 30 8.678 -1.425 10.315 1.00 0.00 N ATOM 0 H ARG A 30 6.360 -4.592 4.219 1.00 0.00 H new ATOM 0 HA ARG A 30 4.337 -3.756 6.048 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.694 -2.608 4.646 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.429 -1.453 5.013 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.804 -1.540 7.266 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.134 -3.261 7.259 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.391 -2.971 6.667 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.114 -1.387 5.969 1.00 0.00 H new ATOM 0 HE ARG A 30 8.443 -0.418 8.054 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.776 -3.870 8.427 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.123 -3.866 10.159 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.885 -0.427 10.278 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.747 -1.927 11.200 1.00 0.00 H new ATOM 534 N LEU A 31 4.030 -2.842 2.879 1.00 0.00 N ATOM 535 CA LEU A 31 3.068 -2.341 1.899 1.00 0.00 C ATOM 536 C LEU A 31 1.717 -3.028 2.060 1.00 0.00 C ATOM 537 O LEU A 31 0.679 -2.372 2.144 1.00 0.00 O ATOM 538 CB LEU A 31 3.590 -2.550 0.473 1.00 0.00 C ATOM 539 CG LEU A 31 2.592 -2.241 -0.652 1.00 0.00 C ATOM 540 CD1 LEU A 31 1.870 -0.919 -0.406 1.00 0.00 C ATOM 541 CD2 LEU A 31 3.309 -2.217 -1.995 1.00 0.00 C ATOM 0 H LEU A 31 4.947 -3.070 2.494 1.00 0.00 H new ATOM 0 HA LEU A 31 2.939 -1.273 2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.472 -1.925 0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.914 -3.586 0.372 1.00 0.00 H new ATOM 0 HG LEU A 31 1.841 -3.030 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.171 -0.729 -1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.324 -0.972 0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.599 -0.110 -0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.592 -1.997 -2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.082 -1.448 -1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.767 -3.189 -2.180 1.00 0.00 H new ATOM 553 N GLY A 32 1.741 -4.354 2.107 1.00 0.00 N ATOM 554 CA GLY A 32 0.516 -5.108 2.263 1.00 0.00 C ATOM 555 C GLY A 32 -0.121 -4.900 3.620 1.00 0.00 C ATOM 556 O GLY A 32 -1.308 -4.588 3.716 1.00 0.00 O ATOM 0 H GLY A 32 2.588 -4.919 2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.189 -4.815 1.485 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.725 -6.168 2.121 1.00 0.00 H new ATOM 560 N HIS A 33 0.669 -5.072 4.675 1.00 0.00 N ATOM 561 CA HIS A 33 0.170 -4.900 6.035 1.00 0.00 C ATOM 562 C HIS A 33 -0.358 -3.484 6.243 1.00 0.00 C ATOM 563 O HIS A 33 -1.368 -3.284 6.918 1.00 0.00 O ATOM 564 CB HIS A 33 1.268 -5.210 7.055 1.00 0.00 C ATOM 565 CG HIS A 33 1.078 -6.520 7.755 1.00 0.00 C ATOM 566 ND1 HIS A 33 0.309 -6.662 8.891 1.00 0.00 N ATOM 567 CD2 HIS A 33 1.561 -7.754 7.474 1.00 0.00 C ATOM 568 CE1 HIS A 33 0.328 -7.925 9.278 1.00 0.00 C ATOM 569 NE2 HIS A 33 1.080 -8.608 8.435 1.00 0.00 N ATOM 0 H HIS A 33 1.654 -5.329 4.615 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.652 -5.600 6.184 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.233 -5.214 6.549 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.300 -4.412 7.797 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.205 -8.017 6.648 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.185 -8.330 10.138 1.00 0.00 H new ATOM 0 HE2 HIS A 33 1.272 -9.608 8.489 1.00 0.00 H new ATOM 578 N ARG A 34 0.313 -2.504 5.642 1.00 0.00 N ATOM 579 CA ARG A 34 -0.118 -1.119 5.752 1.00 0.00 C ATOM 580 C ARG A 34 -1.374 -0.931 4.915 1.00 0.00 C ATOM 581 O ARG A 34 -2.376 -0.373 5.371 1.00 0.00 O ATOM 582 CB ARG A 34 0.991 -0.168 5.288 1.00 0.00 C ATOM 583 CG ARG A 34 2.151 -0.062 6.269 1.00 0.00 C ATOM 584 CD ARG A 34 3.453 0.288 5.561 1.00 0.00 C ATOM 585 NE ARG A 34 4.554 0.514 6.502 1.00 0.00 N ATOM 586 CZ ARG A 34 5.820 0.695 6.133 1.00 0.00 C ATOM 587 NH1 ARG A 34 6.140 0.753 4.849 1.00 0.00 N ATOM 588 NH2 ARG A 34 6.763 0.839 7.051 1.00 0.00 N ATOM 0 H ARG A 34 1.151 -2.645 5.078 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.336 -0.885 6.794 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.371 -0.508 4.324 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.566 0.824 5.131 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.927 0.698 7.017 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.267 -1.007 6.800 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.721 -0.518 4.878 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.306 1.182 4.956 1.00 0.00 H new ATOM 0 HE ARG A 34 4.337 0.534 7.498 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.415 0.659 4.138 1.00 0.00 H new ATOM 0 HH12 ARG A 34 7.112 0.892 4.571 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.519 0.811 8.041 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.733 0.978 6.768 1.00 0.00 H new ATOM 602 N VAL A 35 -1.321 -1.447 3.692 1.00 0.00 N ATOM 603 CA VAL A 35 -2.461 -1.383 2.788 1.00 0.00 C ATOM 604 C VAL A 35 -3.688 -1.985 3.470 1.00 0.00 C ATOM 605 O VAL A 35 -4.763 -1.386 3.486 1.00 0.00 O ATOM 606 CB VAL A 35 -2.173 -2.139 1.471 1.00 0.00 C ATOM 607 CG1 VAL A 35 -3.463 -2.508 0.750 1.00 0.00 C ATOM 608 CG2 VAL A 35 -1.273 -1.310 0.569 1.00 0.00 C ATOM 0 H VAL A 35 -0.501 -1.914 3.305 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.648 -0.337 2.545 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.657 -3.066 1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.225 -3.038 -0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.068 -3.149 1.392 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.020 -1.601 0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.080 -1.857 -0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.763 -0.365 0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.330 -1.113 1.078 1.00 0.00 H new ATOM 618 N LEU A 36 -3.504 -3.172 4.045 1.00 0.00 N ATOM 619 CA LEU A 36 -4.580 -3.860 4.749 1.00 0.00 C ATOM 620 C LEU A 36 -5.220 -2.935 5.777 1.00 0.00 C ATOM 621 O LEU A 36 -6.441 -2.884 5.908 1.00 0.00 O ATOM 622 CB LEU A 36 -4.049 -5.118 5.450 1.00 0.00 C ATOM 623 CG LEU A 36 -3.783 -6.324 4.541 1.00 0.00 C ATOM 624 CD1 LEU A 36 -3.550 -7.576 5.372 1.00 0.00 C ATOM 625 CD2 LEU A 36 -4.942 -6.539 3.583 1.00 0.00 C ATOM 0 H LEU A 36 -2.618 -3.677 4.036 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.331 -4.153 4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.122 -4.862 5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.766 -5.415 6.216 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.885 -6.119 3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.363 -8.422 4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.688 -7.426 6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.432 -7.779 5.980 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.734 -7.399 2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.855 -6.720 4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.071 -5.652 2.963 1.00 0.00 H new ATOM 637 N GLY A 37 -4.381 -2.200 6.502 1.00 0.00 N ATOM 638 CA GLY A 37 -4.876 -1.278 7.508 1.00 0.00 C ATOM 639 C GLY A 37 -5.860 -0.277 6.936 1.00 0.00 C ATOM 640 O GLY A 37 -6.769 0.179 7.627 1.00 0.00 O ATOM 0 H GLY A 37 -3.366 -2.227 6.410 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.357 -1.841 8.308 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.036 -0.745 7.954 1.00 0.00 H new ATOM 644 N LEU A 38 -5.679 0.057 5.663 1.00 0.00 N ATOM 645 CA LEU A 38 -6.563 1.001 4.988 1.00 0.00 C ATOM 646 C LEU A 38 -7.891 0.337 4.664 1.00 0.00 C ATOM 647 O LEU A 38 -8.949 0.965 4.731 1.00 0.00 O ATOM 648 CB LEU A 38 -5.914 1.516 3.705 1.00 0.00 C ATOM 649 CG LEU A 38 -4.489 2.043 3.867 1.00 0.00 C ATOM 650 CD1 LEU A 38 -3.929 2.465 2.522 1.00 0.00 C ATOM 651 CD2 LEU A 38 -4.456 3.204 4.849 1.00 0.00 C ATOM 0 H LEU A 38 -4.929 -0.311 5.078 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.740 1.845 5.655 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.906 0.710 2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.535 2.313 3.296 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.866 1.242 4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.913 2.838 2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.917 1.609 1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.553 3.252 2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.433 3.565 4.951 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.091 4.010 4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.821 2.870 5.820 1.00 0.00 H new ATOM 663 N ILE A 39 -7.825 -0.942 4.326 1.00 0.00 N ATOM 664 CA ILE A 39 -9.014 -1.713 4.003 1.00 0.00 C ATOM 665 C ILE A 39 -9.647 -2.257 5.281 1.00 0.00 C ATOM 666 O ILE A 39 -10.808 -2.666 5.289 1.00 0.00 O ATOM 667 CB ILE A 39 -8.690 -2.872 3.019 1.00 0.00 C ATOM 668 CG1 ILE A 39 -8.710 -4.235 3.718 1.00 0.00 C ATOM 669 CG2 ILE A 39 -7.338 -2.654 2.356 1.00 0.00 C ATOM 670 CD1 ILE A 39 -8.317 -5.384 2.812 1.00 0.00 C ATOM 0 H ILE A 39 -6.954 -1.470 4.268 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.724 -1.050 3.508 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.469 -2.871 2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.032 -4.207 4.571 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.710 -4.418 4.111 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.131 -3.477 1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.352 -1.716 1.802 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.561 -2.613 3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.353 -6.318 3.373 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.009 -5.438 1.972 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.305 -5.224 2.439 1.00 0.00 H new ATOM 682 N LYS A 40 -8.866 -2.258 6.359 1.00 0.00 N ATOM 683 CA LYS A 40 -9.339 -2.754 7.651 1.00 0.00 C ATOM 684 C LYS A 40 -10.669 -2.109 8.050 1.00 0.00 C ATOM 685 O LYS A 40 -11.682 -2.796 8.163 1.00 0.00 O ATOM 686 CB LYS A 40 -8.291 -2.502 8.739 1.00 0.00 C ATOM 687 CG LYS A 40 -7.252 -3.608 8.860 1.00 0.00 C ATOM 688 CD LYS A 40 -7.899 -4.972 9.041 1.00 0.00 C ATOM 689 CE LYS A 40 -6.970 -5.943 9.750 1.00 0.00 C ATOM 690 NZ LYS A 40 -7.652 -6.644 10.873 1.00 0.00 N ATOM 0 H LYS A 40 -7.903 -1.921 6.364 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.500 -3.827 7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.783 -1.561 8.530 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.797 -2.385 9.697 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.626 -3.618 7.968 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.597 -3.401 9.706 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.820 -4.865 9.614 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.174 -5.377 8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.599 -6.678 9.035 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.103 -5.403 10.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.985 -7.297 11.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.984 -5.945 11.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.464 -7.180 10.506 1.00 0.00 H new ATOM 704 N PRO A 41 -10.690 -0.779 8.275 1.00 0.00 N ATOM 705 CA PRO A 41 -11.916 -0.077 8.667 1.00 0.00 C ATOM 706 C PRO A 41 -13.018 -0.208 7.623 1.00 0.00 C ATOM 707 O PRO A 41 -14.201 -0.259 7.963 1.00 0.00 O ATOM 708 CB PRO A 41 -11.481 1.387 8.817 1.00 0.00 C ATOM 709 CG PRO A 41 -10.175 1.494 8.103 1.00 0.00 C ATOM 710 CD PRO A 41 -9.538 0.132 8.175 1.00 0.00 C ATOM 0 HA PRO A 41 -12.340 -0.493 9.581 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -12.220 2.062 8.385 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.377 1.659 9.867 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.323 1.799 7.067 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.538 2.246 8.569 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.936 -0.077 7.291 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.879 0.042 9.038 1.00 0.00 H new ATOM 718 N LEU A 42 -12.630 -0.275 6.354 1.00 0.00 N ATOM 719 CA LEU A 42 -13.601 -0.414 5.276 1.00 0.00 C ATOM 720 C LEU A 42 -14.409 -1.687 5.451 1.00 0.00 C ATOM 721 O LEU A 42 -15.621 -1.703 5.236 1.00 0.00 O ATOM 722 CB LEU A 42 -12.909 -0.450 3.920 1.00 0.00 C ATOM 723 CG LEU A 42 -11.915 0.675 3.658 1.00 0.00 C ATOM 724 CD1 LEU A 42 -11.220 0.441 2.330 1.00 0.00 C ATOM 725 CD2 LEU A 42 -12.617 2.027 3.672 1.00 0.00 C ATOM 0 H LEU A 42 -11.658 -0.236 6.049 1.00 0.00 H new ATOM 0 HA LEU A 42 -14.264 0.450 5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.387 -1.402 3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.672 -0.425 3.142 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.167 0.681 4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.510 1.247 2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.690 -0.511 2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.961 0.419 1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.890 2.817 3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -13.384 2.047 2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.081 2.186 4.646 1.00 0.00 H new ATOM 737 N GLU A 43 -13.729 -2.760 5.843 1.00 0.00 N ATOM 738 CA GLU A 43 -14.386 -4.041 6.046 1.00 0.00 C ATOM 739 C GLU A 43 -15.596 -3.878 6.963 1.00 0.00 C ATOM 740 O GLU A 43 -16.575 -4.612 6.857 1.00 0.00 O ATOM 741 CB GLU A 43 -13.409 -5.059 6.638 1.00 0.00 C ATOM 742 CG GLU A 43 -12.727 -5.926 5.592 1.00 0.00 C ATOM 743 CD GLU A 43 -13.316 -7.321 5.518 1.00 0.00 C ATOM 744 OE1 GLU A 43 -12.929 -8.173 6.345 1.00 0.00 O ATOM 745 OE2 GLU A 43 -14.164 -7.561 4.633 1.00 0.00 O ATOM 0 H GLU A 43 -12.725 -2.765 6.025 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.726 -4.409 5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.648 -4.529 7.211 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.945 -5.701 7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.812 -5.447 4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.664 -5.996 5.821 1.00 0.00 H new ATOM 752 N MET A 44 -15.523 -2.900 7.858 1.00 0.00 N ATOM 753 CA MET A 44 -16.618 -2.633 8.780 1.00 0.00 C ATOM 754 C MET A 44 -17.653 -1.714 8.134 1.00 0.00 C ATOM 755 O MET A 44 -18.806 -1.661 8.559 1.00 0.00 O ATOM 756 CB MET A 44 -16.084 -1.991 10.061 1.00 0.00 C ATOM 757 CG MET A 44 -15.108 -2.873 10.823 1.00 0.00 C ATOM 758 SD MET A 44 -14.680 -2.201 12.439 1.00 0.00 S ATOM 759 CE MET A 44 -12.893 -2.158 12.325 1.00 0.00 C ATOM 0 H MET A 44 -14.719 -2.281 7.964 1.00 0.00 H new ATOM 0 HA MET A 44 -17.097 -3.581 9.027 1.00 0.00 H new ATOM 0 HB2 MET A 44 -15.591 -1.052 9.809 1.00 0.00 H new ATOM 0 HB3 MET A 44 -16.923 -1.746 10.712 1.00 0.00 H new ATOM 0 HG2 MET A 44 -15.543 -3.864 10.950 1.00 0.00 H new ATOM 0 HG3 MET A 44 -14.200 -2.997 10.233 1.00 0.00 H new ATOM 0 HE1 MET A 44 -12.466 -2.095 13.326 1.00 0.00 H new ATOM 0 HE2 MET A 44 -12.538 -3.065 11.835 1.00 0.00 H new ATOM 0 HE3 MET A 44 -12.586 -1.288 11.744 1.00 0.00 H new ATOM 769 N LEU A 45 -17.222 -0.978 7.113 1.00 0.00 N ATOM 770 CA LEU A 45 -18.097 -0.046 6.411 1.00 0.00 C ATOM 771 C LEU A 45 -18.804 -0.697 5.220 1.00 0.00 C ATOM 772 O LEU A 45 -20.033 -0.709 5.152 1.00 0.00 O ATOM 773 CB LEU A 45 -17.288 1.162 5.930 1.00 0.00 C ATOM 774 CG LEU A 45 -17.585 2.475 6.654 1.00 0.00 C ATOM 775 CD1 LEU A 45 -16.733 2.595 7.908 1.00 0.00 C ATOM 776 CD2 LEU A 45 -17.346 3.657 5.727 1.00 0.00 C ATOM 0 H LEU A 45 -16.268 -1.010 6.753 1.00 0.00 H new ATOM 0 HA LEU A 45 -18.865 0.272 7.116 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.227 0.936 6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -17.474 1.303 4.865 1.00 0.00 H new ATOM 0 HG LEU A 45 -18.634 2.478 6.951 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -16.957 3.535 8.411 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -16.952 1.764 8.578 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -15.678 2.572 7.635 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -17.562 4.585 6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -16.306 3.659 5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -17.999 3.576 4.858 1.00 0.00 H new ATOM 788 N GLN A 46 -18.024 -1.200 4.263 1.00 0.00 N ATOM 789 CA GLN A 46 -18.590 -1.804 3.057 1.00 0.00 C ATOM 790 C GLN A 46 -19.027 -3.259 3.257 1.00 0.00 C ATOM 791 O GLN A 46 -20.119 -3.640 2.837 1.00 0.00 O ATOM 792 CB GLN A 46 -17.585 -1.710 1.906 1.00 0.00 C ATOM 793 CG GLN A 46 -16.375 -2.617 2.063 1.00 0.00 C ATOM 794 CD GLN A 46 -16.625 -4.021 1.547 1.00 0.00 C ATOM 795 OE1 GLN A 46 -17.326 -4.215 0.553 1.00 0.00 O ATOM 796 NE2 GLN A 46 -16.049 -5.009 2.221 1.00 0.00 N ATOM 0 H GLN A 46 -17.005 -1.201 4.299 1.00 0.00 H new ATOM 0 HA GLN A 46 -19.491 -1.240 2.816 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -18.093 -1.957 0.974 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -17.244 -0.678 1.819 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -15.529 -2.183 1.529 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -16.097 -2.665 3.116 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.476 -4.802 3.039 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -16.179 -5.975 1.921 1.00 0.00 H new ATOM 805 N ASP A 47 -18.174 -4.077 3.868 1.00 0.00 N ATOM 806 CA ASP A 47 -18.496 -5.490 4.076 1.00 0.00 C ATOM 807 C ASP A 47 -19.866 -5.667 4.730 1.00 0.00 C ATOM 808 O ASP A 47 -20.825 -6.073 4.074 1.00 0.00 O ATOM 809 CB ASP A 47 -17.416 -6.175 4.914 1.00 0.00 C ATOM 810 CG ASP A 47 -17.081 -7.562 4.401 1.00 0.00 C ATOM 811 OD1 ASP A 47 -16.704 -7.682 3.216 1.00 0.00 O ATOM 812 OD2 ASP A 47 -17.196 -8.528 5.184 1.00 0.00 O ATOM 0 H ASP A 47 -17.262 -3.792 4.226 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.531 -5.962 3.094 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.515 -5.562 4.912 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.752 -6.244 5.949 1.00 0.00 H new ATOM 928 N SER A 55 -20.988 8.581 -4.239 1.00 0.00 N ATOM 929 CA SER A 55 -20.793 9.918 -4.787 1.00 0.00 C ATOM 930 C SER A 55 -19.665 9.925 -5.815 1.00 0.00 C ATOM 931 O SER A 55 -18.758 9.094 -5.763 1.00 0.00 O ATOM 932 CB SER A 55 -20.486 10.912 -3.665 1.00 0.00 C ATOM 933 OG SER A 55 -21.418 11.980 -3.662 1.00 0.00 O ATOM 0 HA SER A 55 -21.715 10.219 -5.285 1.00 0.00 H new ATOM 0 HB2 SER A 55 -20.512 10.399 -2.703 1.00 0.00 H new ATOM 0 HB3 SER A 55 -19.477 11.306 -3.789 1.00 0.00 H new ATOM 0 HG SER A 55 -20.986 12.790 -3.318 1.00 0.00 H new ATOM 939 N GLU A 56 -19.730 10.868 -6.750 1.00 0.00 N ATOM 940 CA GLU A 56 -18.716 10.984 -7.792 1.00 0.00 C ATOM 941 C GLU A 56 -17.332 11.201 -7.187 1.00 0.00 C ATOM 942 O GLU A 56 -16.321 10.812 -7.772 1.00 0.00 O ATOM 943 CB GLU A 56 -19.057 12.136 -8.738 1.00 0.00 C ATOM 944 CG GLU A 56 -18.100 12.262 -9.912 1.00 0.00 C ATOM 945 CD GLU A 56 -18.757 12.870 -11.136 1.00 0.00 C ATOM 946 OE1 GLU A 56 -18.803 14.115 -11.229 1.00 0.00 O ATOM 947 OE2 GLU A 56 -19.225 12.101 -12.003 1.00 0.00 O ATOM 0 H GLU A 56 -20.474 11.563 -6.807 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.703 10.051 -8.355 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -20.069 11.996 -9.118 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.054 13.070 -8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.249 12.876 -9.618 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.710 11.276 -10.165 1.00 0.00 H new ATOM 954 N LYS A 57 -17.293 11.824 -6.013 1.00 0.00 N ATOM 955 CA LYS A 57 -16.033 12.093 -5.332 1.00 0.00 C ATOM 956 C LYS A 57 -15.528 10.847 -4.612 1.00 0.00 C ATOM 957 O LYS A 57 -14.352 10.500 -4.704 1.00 0.00 O ATOM 958 CB LYS A 57 -16.205 13.239 -4.334 1.00 0.00 C ATOM 959 CG LYS A 57 -16.080 14.618 -4.962 1.00 0.00 C ATOM 960 CD LYS A 57 -17.221 15.530 -4.541 1.00 0.00 C ATOM 961 CE LYS A 57 -16.920 16.225 -3.222 1.00 0.00 C ATOM 962 NZ LYS A 57 -15.880 17.279 -3.375 1.00 0.00 N ATOM 0 H LYS A 57 -18.120 12.152 -5.514 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.296 12.381 -6.082 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.182 13.153 -3.859 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.458 13.139 -3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.130 15.066 -4.672 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.070 14.524 -6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.396 16.277 -5.315 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -18.138 14.948 -4.446 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.834 16.671 -2.830 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.586 15.488 -2.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.905 17.913 -2.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.942 16.834 -3.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.065 17.827 -4.239 1.00 0.00 H new ATOM 976 N LEU A 58 -16.425 10.178 -3.895 1.00 0.00 N ATOM 977 CA LEU A 58 -16.068 8.970 -3.161 1.00 0.00 C ATOM 978 C LEU A 58 -15.493 7.917 -4.102 1.00 0.00 C ATOM 979 O LEU A 58 -14.430 7.353 -3.845 1.00 0.00 O ATOM 980 CB LEU A 58 -17.290 8.410 -2.430 1.00 0.00 C ATOM 981 CG LEU A 58 -17.074 7.064 -1.733 1.00 0.00 C ATOM 982 CD1 LEU A 58 -15.832 7.107 -0.856 1.00 0.00 C ATOM 983 CD2 LEU A 58 -18.298 6.690 -0.909 1.00 0.00 C ATOM 0 H LEU A 58 -17.404 10.452 -3.807 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.306 9.231 -2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -17.613 9.138 -1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -18.104 8.303 -3.147 1.00 0.00 H new ATOM 0 HG LEU A 58 -16.926 6.301 -2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.696 6.141 -0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -14.960 7.329 -1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -15.948 7.882 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -18.128 5.731 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -18.476 7.456 -0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -19.167 6.615 -1.562 1.00 0.00 H new ATOM 995 N THR A 59 -16.202 7.662 -5.197 1.00 0.00 N ATOM 996 CA THR A 59 -15.757 6.683 -6.180 1.00 0.00 C ATOM 997 C THR A 59 -14.396 7.078 -6.745 1.00 0.00 C ATOM 998 O THR A 59 -13.540 6.227 -6.979 1.00 0.00 O ATOM 999 CB THR A 59 -16.781 6.559 -7.312 1.00 0.00 C ATOM 1000 OG1 THR A 59 -16.538 5.397 -8.083 1.00 0.00 O ATOM 1001 CG2 THR A 59 -16.784 7.743 -8.255 1.00 0.00 C ATOM 0 H THR A 59 -17.085 8.119 -5.425 1.00 0.00 H new ATOM 0 HA THR A 59 -15.664 5.716 -5.685 1.00 0.00 H new ATOM 0 HB THR A 59 -17.751 6.510 -6.816 1.00 0.00 H new ATOM 0 HG1 THR A 59 -17.203 5.335 -8.800 1.00 0.00 H new ATOM 0 HG21 THR A 59 -17.533 7.588 -9.032 1.00 0.00 H new ATOM 0 HG22 THR A 59 -17.020 8.650 -7.699 1.00 0.00 H new ATOM 0 HG23 THR A 59 -15.801 7.845 -8.714 1.00 0.00 H new ATOM 1009 N THR A 60 -14.203 8.378 -6.954 1.00 0.00 N ATOM 1010 CA THR A 60 -12.943 8.885 -7.484 1.00 0.00 C ATOM 1011 C THR A 60 -11.801 8.563 -6.524 1.00 0.00 C ATOM 1012 O THR A 60 -10.681 8.278 -6.948 1.00 0.00 O ATOM 1013 CB THR A 60 -13.041 10.397 -7.741 1.00 0.00 C ATOM 1014 OG1 THR A 60 -12.542 10.716 -9.027 1.00 0.00 O ATOM 1015 CG2 THR A 60 -12.287 11.248 -6.739 1.00 0.00 C ATOM 0 H THR A 60 -14.902 9.097 -6.765 1.00 0.00 H new ATOM 0 HA THR A 60 -12.736 8.395 -8.435 1.00 0.00 H new ATOM 0 HB THR A 60 -14.103 10.626 -7.648 1.00 0.00 H new ATOM 0 HG1 THR A 60 -12.613 11.682 -9.175 1.00 0.00 H new ATOM 0 HG21 THR A 60 -12.408 12.301 -6.992 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.681 11.068 -5.739 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.229 10.988 -6.764 1.00 0.00 H new ATOM 1023 N ALA A 61 -12.101 8.587 -5.229 1.00 0.00 N ATOM 1024 CA ALA A 61 -11.108 8.274 -4.213 1.00 0.00 C ATOM 1025 C ALA A 61 -10.811 6.788 -4.242 1.00 0.00 C ATOM 1026 O ALA A 61 -9.666 6.370 -4.410 1.00 0.00 O ATOM 1027 CB ALA A 61 -11.596 8.687 -2.836 1.00 0.00 C ATOM 0 H ALA A 61 -13.023 8.820 -4.861 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.196 8.831 -4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.837 8.443 -2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.784 9.761 -2.824 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.518 8.154 -2.602 1.00 0.00 H new ATOM 1033 N MET A 62 -11.867 5.992 -4.107 1.00 0.00 N ATOM 1034 CA MET A 62 -11.741 4.551 -4.150 1.00 0.00 C ATOM 1035 C MET A 62 -11.135 4.142 -5.486 1.00 0.00 C ATOM 1036 O MET A 62 -10.401 3.159 -5.575 1.00 0.00 O ATOM 1037 CB MET A 62 -13.109 3.903 -3.953 1.00 0.00 C ATOM 1038 CG MET A 62 -13.823 4.374 -2.695 1.00 0.00 C ATOM 1039 SD MET A 62 -15.586 3.999 -2.711 1.00 0.00 S ATOM 1040 CE MET A 62 -15.565 2.356 -3.414 1.00 0.00 C ATOM 0 H MET A 62 -12.820 6.328 -3.967 1.00 0.00 H new ATOM 0 HA MET A 62 -11.087 4.213 -3.347 1.00 0.00 H new ATOM 0 HB2 MET A 62 -13.734 4.119 -4.820 1.00 0.00 H new ATOM 0 HB3 MET A 62 -12.988 2.821 -3.910 1.00 0.00 H new ATOM 0 HG2 MET A 62 -13.364 3.904 -1.825 1.00 0.00 H new ATOM 0 HG3 MET A 62 -13.686 5.450 -2.586 1.00 0.00 H new ATOM 0 HE1 MET A 62 -16.367 1.762 -2.975 1.00 0.00 H new ATOM 0 HE2 MET A 62 -15.709 2.420 -4.493 1.00 0.00 H new ATOM 0 HE3 MET A 62 -14.606 1.882 -3.203 1.00 0.00 H new ATOM 1050 N ASN A 63 -11.419 4.936 -6.520 1.00 0.00 N ATOM 1051 CA ASN A 63 -10.865 4.679 -7.841 1.00 0.00 C ATOM 1052 C ASN A 63 -9.358 4.844 -7.770 1.00 0.00 C ATOM 1053 O ASN A 63 -8.600 3.955 -8.159 1.00 0.00 O ATOM 1054 CB ASN A 63 -11.455 5.643 -8.874 1.00 0.00 C ATOM 1055 CG ASN A 63 -12.747 5.130 -9.478 1.00 0.00 C ATOM 1056 OD1 ASN A 63 -12.843 3.969 -9.877 1.00 0.00 O ATOM 1057 ND2 ASN A 63 -13.751 5.997 -9.549 1.00 0.00 N ATOM 0 H ASN A 63 -12.025 5.755 -6.465 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.117 3.665 -8.151 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -11.637 6.609 -8.402 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -10.727 5.808 -9.668 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -14.646 5.710 -9.946 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.627 6.950 -9.206 1.00 0.00 H new ATOM 1064 N ARG A 64 -8.935 5.978 -7.220 1.00 0.00 N ATOM 1065 CA ARG A 64 -7.522 6.255 -7.035 1.00 0.00 C ATOM 1066 C ARG A 64 -6.934 5.203 -6.108 1.00 0.00 C ATOM 1067 O ARG A 64 -5.775 4.817 -6.234 1.00 0.00 O ATOM 1068 CB ARG A 64 -7.332 7.647 -6.427 1.00 0.00 C ATOM 1069 CG ARG A 64 -6.810 8.679 -7.408 1.00 0.00 C ATOM 1070 CD ARG A 64 -7.896 9.663 -7.814 1.00 0.00 C ATOM 1071 NE ARG A 64 -7.353 10.988 -8.103 1.00 0.00 N ATOM 1072 CZ ARG A 64 -6.890 11.819 -7.172 1.00 0.00 C ATOM 1073 NH1 ARG A 64 -6.899 11.465 -5.893 1.00 0.00 N ATOM 1074 NH2 ARG A 64 -6.415 13.006 -7.521 1.00 0.00 N ATOM 0 H ARG A 64 -9.556 6.719 -6.895 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.015 6.226 -7.999 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.285 7.991 -6.026 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.640 7.575 -5.588 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.977 9.220 -6.959 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.423 8.177 -8.295 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.417 9.285 -8.693 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.633 9.740 -7.015 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.327 11.294 -9.076 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.262 10.552 -5.619 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.543 12.106 -5.184 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.404 13.282 -8.503 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.060 13.643 -6.808 1.00 0.00 H new ATOM 1088 N PHE A 65 -7.767 4.745 -5.178 1.00 0.00 N ATOM 1089 CA PHE A 65 -7.385 3.730 -4.210 1.00 0.00 C ATOM 1090 C PHE A 65 -7.111 2.407 -4.909 1.00 0.00 C ATOM 1091 O PHE A 65 -5.999 1.880 -4.860 1.00 0.00 O ATOM 1092 CB PHE A 65 -8.515 3.565 -3.198 1.00 0.00 C ATOM 1093 CG PHE A 65 -8.116 2.946 -1.889 1.00 0.00 C ATOM 1094 CD1 PHE A 65 -6.791 2.892 -1.476 1.00 0.00 C ATOM 1095 CD2 PHE A 65 -9.091 2.421 -1.064 1.00 0.00 C ATOM 1096 CE1 PHE A 65 -6.456 2.321 -0.263 1.00 0.00 C ATOM 1097 CE2 PHE A 65 -8.766 1.853 0.147 1.00 0.00 C ATOM 1098 CZ PHE A 65 -7.444 1.802 0.551 1.00 0.00 C ATOM 0 H PHE A 65 -8.728 5.071 -5.077 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.474 4.040 -3.698 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.950 4.545 -3.001 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -9.297 2.953 -3.647 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.016 3.300 -2.108 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.125 2.457 -1.374 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.423 2.281 0.048 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.541 1.448 0.780 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.185 1.357 1.501 1.00 0.00 H new ATOM 1108 N LYS A 66 -8.137 1.884 -5.569 1.00 0.00 N ATOM 1109 CA LYS A 66 -8.028 0.632 -6.297 1.00 0.00 C ATOM 1110 C LYS A 66 -6.899 0.711 -7.322 1.00 0.00 C ATOM 1111 O LYS A 66 -6.199 -0.271 -7.570 1.00 0.00 O ATOM 1112 CB LYS A 66 -9.385 0.322 -6.945 1.00 0.00 C ATOM 1113 CG LYS A 66 -9.322 -0.399 -8.276 1.00 0.00 C ATOM 1114 CD LYS A 66 -9.621 0.543 -9.433 1.00 0.00 C ATOM 1115 CE LYS A 66 -8.440 0.659 -10.380 1.00 0.00 C ATOM 1116 NZ LYS A 66 -8.828 1.269 -11.682 1.00 0.00 N ATOM 0 H LYS A 66 -9.061 2.314 -5.613 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.777 -0.183 -5.619 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.970 -0.282 -6.251 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.924 1.259 -7.084 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.333 -0.837 -8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.037 -1.221 -8.280 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.492 0.183 -9.980 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.874 1.529 -9.044 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.660 1.262 -9.915 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -8.017 -0.330 -10.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.993 1.330 -12.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.554 0.680 -12.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.208 2.223 -11.519 1.00 0.00 H new ATOM 1130 N ALA A 67 -6.713 1.894 -7.893 1.00 0.00 N ATOM 1131 CA ALA A 67 -5.653 2.111 -8.868 1.00 0.00 C ATOM 1132 C ALA A 67 -4.306 2.221 -8.164 1.00 0.00 C ATOM 1133 O ALA A 67 -3.320 1.606 -8.577 1.00 0.00 O ATOM 1134 CB ALA A 67 -5.932 3.361 -9.689 1.00 0.00 C ATOM 0 H ALA A 67 -7.282 2.718 -7.698 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.622 1.258 -9.546 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.130 3.508 -10.412 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.879 3.246 -10.216 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.987 4.226 -9.028 1.00 0.00 H new ATOM 1140 N ALA A 68 -4.278 2.998 -7.084 1.00 0.00 N ATOM 1141 CA ALA A 68 -3.062 3.179 -6.303 1.00 0.00 C ATOM 1142 C ALA A 68 -2.525 1.827 -5.856 1.00 0.00 C ATOM 1143 O ALA A 68 -1.314 1.613 -5.792 1.00 0.00 O ATOM 1144 CB ALA A 68 -3.329 4.076 -5.101 1.00 0.00 C ATOM 0 H ALA A 68 -5.085 3.512 -6.731 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.311 3.663 -6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.410 4.201 -4.529 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.678 5.050 -5.444 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.091 3.620 -4.469 1.00 0.00 H new ATOM 1150 N LEU A 69 -3.442 0.911 -5.569 1.00 0.00 N ATOM 1151 CA LEU A 69 -3.077 -0.433 -5.151 1.00 0.00 C ATOM 1152 C LEU A 69 -2.294 -1.125 -6.252 1.00 0.00 C ATOM 1153 O LEU A 69 -1.198 -1.635 -6.020 1.00 0.00 O ATOM 1154 CB LEU A 69 -4.326 -1.239 -4.811 1.00 0.00 C ATOM 1155 CG LEU A 69 -4.904 -0.956 -3.429 1.00 0.00 C ATOM 1156 CD1 LEU A 69 -6.403 -1.216 -3.408 1.00 0.00 C ATOM 1157 CD2 LEU A 69 -4.193 -1.797 -2.383 1.00 0.00 C ATOM 0 H LEU A 69 -4.447 1.077 -5.619 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.452 -0.365 -4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.091 -1.033 -5.560 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.088 -2.300 -4.881 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.745 0.096 -3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.794 -1.008 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.895 -0.569 -4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.595 -2.258 -3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.614 -1.587 -1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.324 -2.854 -2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.130 -1.555 -2.382 1.00 0.00 H new ATOM 1169 N GLU A 70 -2.855 -1.119 -7.461 1.00 0.00 N ATOM 1170 CA GLU A 70 -2.197 -1.729 -8.610 1.00 0.00 C ATOM 1171 C GLU A 70 -0.732 -1.319 -8.641 1.00 0.00 C ATOM 1172 O GLU A 70 0.133 -2.089 -9.056 1.00 0.00 O ATOM 1173 CB GLU A 70 -2.891 -1.314 -9.909 1.00 0.00 C ATOM 1174 CG GLU A 70 -4.170 -2.086 -10.189 1.00 0.00 C ATOM 1175 CD GLU A 70 -4.211 -2.660 -11.592 1.00 0.00 C ATOM 1176 OE1 GLU A 70 -3.173 -3.176 -12.054 1.00 0.00 O ATOM 1177 OE2 GLU A 70 -5.284 -2.593 -12.228 1.00 0.00 O ATOM 0 H GLU A 70 -3.761 -0.699 -7.667 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.262 -2.813 -8.518 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.121 -0.250 -9.864 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.201 -1.456 -10.741 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.266 -2.896 -9.466 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.026 -1.427 -10.045 1.00 0.00 H new ATOM 1184 N GLU A 71 -0.461 -0.107 -8.164 1.00 0.00 N ATOM 1185 CA GLU A 71 0.902 0.394 -8.101 1.00 0.00 C ATOM 1186 C GLU A 71 1.691 -0.436 -7.094 1.00 0.00 C ATOM 1187 O GLU A 71 2.754 -0.970 -7.411 1.00 0.00 O ATOM 1188 CB GLU A 71 0.911 1.873 -7.706 1.00 0.00 C ATOM 1189 CG GLU A 71 -0.170 2.694 -8.396 1.00 0.00 C ATOM 1190 CD GLU A 71 -0.200 2.479 -9.897 1.00 0.00 C ATOM 1191 OE1 GLU A 71 -0.411 1.327 -10.329 1.00 0.00 O ATOM 1192 OE2 GLU A 71 -0.012 3.465 -10.640 1.00 0.00 O ATOM 0 H GLU A 71 -1.167 0.542 -7.817 1.00 0.00 H new ATOM 0 HA GLU A 71 1.367 0.307 -9.083 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.783 1.953 -6.627 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.886 2.298 -7.944 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.142 2.434 -7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.006 3.751 -8.188 1.00 0.00 H new ATOM 1199 N ALA A 72 1.143 -0.568 -5.885 1.00 0.00 N ATOM 1200 CA ALA A 72 1.775 -1.362 -4.844 1.00 0.00 C ATOM 1201 C ALA A 72 1.871 -2.817 -5.291 1.00 0.00 C ATOM 1202 O ALA A 72 2.947 -3.415 -5.266 1.00 0.00 O ATOM 1203 CB ALA A 72 0.988 -1.252 -3.546 1.00 0.00 C ATOM 0 H ALA A 72 0.263 -0.133 -5.608 1.00 0.00 H new ATOM 0 HA ALA A 72 2.781 -0.982 -4.667 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.472 -1.851 -2.775 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.955 -0.210 -3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.027 -1.616 -3.704 1.00 0.00 H new ATOM 1209 N ASN A 73 0.738 -3.375 -5.716 1.00 0.00 N ATOM 1210 CA ASN A 73 0.697 -4.753 -6.189 1.00 0.00 C ATOM 1211 C ASN A 73 1.662 -4.936 -7.354 1.00 0.00 C ATOM 1212 O ASN A 73 2.407 -5.914 -7.412 1.00 0.00 O ATOM 1213 CB ASN A 73 -0.720 -5.129 -6.627 1.00 0.00 C ATOM 1214 CG ASN A 73 -1.014 -6.604 -6.429 1.00 0.00 C ATOM 1215 OD1 ASN A 73 -0.537 -7.221 -5.476 1.00 0.00 O ATOM 1216 ND2 ASN A 73 -1.803 -7.176 -7.331 1.00 0.00 N ATOM 0 H ASN A 73 -0.161 -2.893 -5.741 1.00 0.00 H new ATOM 0 HA ASN A 73 0.996 -5.407 -5.370 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.441 -4.538 -6.062 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.853 -4.873 -7.678 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.036 -8.166 -7.250 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.176 -6.626 -8.105 1.00 0.00 H new ATOM 1223 N GLY A 74 1.650 -3.975 -8.273 1.00 0.00 N ATOM 1224 CA GLY A 74 2.536 -4.034 -9.417 1.00 0.00 C ATOM 1225 C GLY A 74 3.985 -3.925 -9.001 1.00 0.00 C ATOM 1226 O GLY A 74 4.852 -4.607 -9.545 1.00 0.00 O ATOM 0 H GLY A 74 1.041 -3.157 -8.244 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.379 -4.971 -9.952 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.293 -3.227 -10.109 1.00 0.00 H new ATOM 1230 N GLU A 75 4.243 -3.070 -8.015 1.00 0.00 N ATOM 1231 CA GLU A 75 5.592 -2.880 -7.505 1.00 0.00 C ATOM 1232 C GLU A 75 6.062 -4.149 -6.805 1.00 0.00 C ATOM 1233 O GLU A 75 7.187 -4.603 -7.003 1.00 0.00 O ATOM 1234 CB GLU A 75 5.634 -1.689 -6.541 1.00 0.00 C ATOM 1235 CG GLU A 75 5.575 -0.341 -7.239 1.00 0.00 C ATOM 1236 CD GLU A 75 6.930 0.115 -7.742 1.00 0.00 C ATOM 1237 OE1 GLU A 75 7.764 -0.753 -8.072 1.00 0.00 O ATOM 1238 OE2 GLU A 75 7.156 1.342 -7.807 1.00 0.00 O ATOM 0 H GLU A 75 3.534 -2.499 -7.555 1.00 0.00 H new ATOM 0 HA GLU A 75 6.261 -2.669 -8.339 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.799 -1.766 -5.845 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.548 -1.743 -5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.881 -0.400 -8.078 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.178 0.404 -6.549 1.00 0.00 H new ATOM 1245 N ILE A 76 5.176 -4.727 -5.998 1.00 0.00 N ATOM 1246 CA ILE A 76 5.478 -5.955 -5.280 1.00 0.00 C ATOM 1247 C ILE A 76 5.601 -7.122 -6.254 1.00 0.00 C ATOM 1248 O ILE A 76 6.419 -8.021 -6.066 1.00 0.00 O ATOM 1249 CB ILE A 76 4.385 -6.273 -4.237 1.00 0.00 C ATOM 1250 CG1 ILE A 76 4.327 -5.175 -3.175 1.00 0.00 C ATOM 1251 CG2 ILE A 76 4.635 -7.630 -3.590 1.00 0.00 C ATOM 1252 CD1 ILE A 76 3.077 -5.226 -2.326 1.00 0.00 C ATOM 0 H ILE A 76 4.240 -4.360 -5.827 1.00 0.00 H new ATOM 0 HA ILE A 76 6.426 -5.811 -4.761 1.00 0.00 H new ATOM 0 HB ILE A 76 3.423 -6.312 -4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.200 -5.259 -2.528 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.385 -4.203 -3.665 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.853 -7.834 -2.858 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.626 -8.405 -4.356 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.605 -7.623 -3.092 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.101 -4.419 -1.594 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.200 -5.112 -2.963 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.027 -6.184 -1.809 1.00 0.00 H new ATOM 1264 N GLU A 77 4.781 -7.096 -7.299 1.00 0.00 N ATOM 1265 CA GLU A 77 4.797 -8.146 -8.309 1.00 0.00 C ATOM 1266 C GLU A 77 6.016 -8.000 -9.212 1.00 0.00 C ATOM 1267 O GLU A 77 6.684 -8.982 -9.535 1.00 0.00 O ATOM 1268 CB GLU A 77 3.515 -8.100 -9.144 1.00 0.00 C ATOM 1269 CG GLU A 77 3.484 -9.124 -10.267 1.00 0.00 C ATOM 1270 CD GLU A 77 2.487 -10.239 -10.015 1.00 0.00 C ATOM 1271 OE1 GLU A 77 1.470 -9.985 -9.336 1.00 0.00 O ATOM 1272 OE2 GLU A 77 2.724 -11.367 -10.496 1.00 0.00 O ATOM 0 H GLU A 77 4.097 -6.359 -7.468 1.00 0.00 H new ATOM 0 HA GLU A 77 4.852 -9.110 -7.803 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.659 -8.264 -8.490 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.404 -7.103 -9.570 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.234 -8.624 -11.203 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.479 -9.552 -10.390 1.00 0.00 H new ATOM 1279 N LYS A 78 6.302 -6.766 -9.615 1.00 0.00 N ATOM 1280 CA LYS A 78 7.444 -6.490 -10.477 1.00 0.00 C ATOM 1281 C LYS A 78 8.754 -6.726 -9.731 1.00 0.00 C ATOM 1282 O LYS A 78 9.790 -6.983 -10.345 1.00 0.00 O ATOM 1283 CB LYS A 78 7.386 -5.050 -10.990 1.00 0.00 C ATOM 1284 CG LYS A 78 8.460 -4.727 -12.017 1.00 0.00 C ATOM 1285 CD LYS A 78 9.664 -4.060 -11.373 1.00 0.00 C ATOM 1286 CE LYS A 78 9.327 -2.663 -10.873 1.00 0.00 C ATOM 1287 NZ LYS A 78 10.458 -1.714 -11.073 1.00 0.00 N ATOM 0 H LYS A 78 5.758 -5.942 -9.358 1.00 0.00 H new ATOM 0 HA LYS A 78 7.402 -7.171 -11.327 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.406 -4.870 -11.432 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.485 -4.368 -10.146 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.774 -5.643 -12.517 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.046 -4.072 -12.784 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.017 -4.670 -10.541 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.479 -4.002 -12.095 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.445 -2.293 -11.396 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.073 -2.708 -9.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.083 -0.767 -11.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.035 -1.674 -10.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.046 -2.038 -11.867 1.00 0.00 H new ATOM 1301 N PHE A 79 8.702 -6.631 -8.405 1.00 0.00 N ATOM 1302 CA PHE A 79 9.883 -6.829 -7.580 1.00 0.00 C ATOM 1303 C PHE A 79 9.920 -8.239 -6.995 1.00 0.00 C ATOM 1304 O PHE A 79 10.612 -8.494 -6.010 1.00 0.00 O ATOM 1305 CB PHE A 79 9.906 -5.794 -6.457 1.00 0.00 C ATOM 1306 CG PHE A 79 10.430 -4.459 -6.897 1.00 0.00 C ATOM 1307 CD1 PHE A 79 11.634 -4.368 -7.573 1.00 0.00 C ATOM 1308 CD2 PHE A 79 9.718 -3.299 -6.640 1.00 0.00 C ATOM 1309 CE1 PHE A 79 12.121 -3.143 -7.984 1.00 0.00 C ATOM 1310 CE2 PHE A 79 10.201 -2.070 -7.047 1.00 0.00 C ATOM 1311 CZ PHE A 79 11.404 -1.993 -7.720 1.00 0.00 C ATOM 0 H PHE A 79 7.853 -6.418 -7.882 1.00 0.00 H new ATOM 0 HA PHE A 79 10.765 -6.704 -8.209 1.00 0.00 H new ATOM 0 HB2 PHE A 79 8.897 -5.670 -6.065 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.522 -6.168 -5.639 1.00 0.00 H new ATOM 0 HD1 PHE A 79 12.199 -5.265 -7.781 1.00 0.00 H new ATOM 0 HD2 PHE A 79 8.775 -3.356 -6.116 1.00 0.00 H new ATOM 0 HE1 PHE A 79 13.062 -3.085 -8.511 1.00 0.00 H new ATOM 0 HE2 PHE A 79 9.639 -1.172 -6.839 1.00 0.00 H new ATOM 0 HZ PHE A 79 11.784 -1.034 -8.040 1.00 0.00 H new ATOM 1321 N SER A 80 9.171 -9.153 -7.606 1.00 0.00 N ATOM 1322 CA SER A 80 9.123 -10.533 -7.138 1.00 0.00 C ATOM 1323 C SER A 80 10.376 -11.293 -7.555 1.00 0.00 C ATOM 1324 O SER A 80 10.839 -12.186 -6.845 1.00 0.00 O ATOM 1325 CB SER A 80 7.879 -11.236 -7.684 1.00 0.00 C ATOM 1326 OG SER A 80 6.730 -10.904 -6.925 1.00 0.00 O ATOM 0 H SER A 80 8.591 -8.963 -8.423 1.00 0.00 H new ATOM 0 HA SER A 80 9.075 -10.519 -6.049 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.725 -10.952 -8.725 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.031 -12.315 -7.667 1.00 0.00 H new ATOM 0 HG SER A 80 7.004 -10.580 -6.042 1.00 0.00 H new ATOM 1332 N ASN A 81 10.924 -10.932 -8.711 1.00 0.00 N ATOM 1333 CA ASN A 81 12.126 -11.580 -9.220 1.00 0.00 C ATOM 1334 C ASN A 81 13.375 -10.826 -8.779 1.00 0.00 C ATOM 1335 O ASN A 81 13.443 -9.602 -8.886 1.00 0.00 O ATOM 1336 CB ASN A 81 12.078 -11.664 -10.748 1.00 0.00 C ATOM 1337 CG ASN A 81 11.612 -13.020 -11.238 1.00 0.00 C ATOM 1338 OD1 ASN A 81 10.695 -13.617 -10.673 1.00 0.00 O ATOM 1339 ND2 ASN A 81 12.242 -13.516 -12.297 1.00 0.00 N ATOM 0 H ASN A 81 10.555 -10.195 -9.312 1.00 0.00 H new ATOM 0 HA ASN A 81 12.168 -12.589 -8.810 1.00 0.00 H new ATOM 0 HB2 ASN A 81 11.409 -10.893 -11.131 1.00 0.00 H new ATOM 0 HB3 ASN A 81 13.069 -11.456 -11.152 1.00 0.00 H new ATOM 0 HD21 ASN A 81 11.971 -14.425 -12.672 1.00 0.00 H new ATOM 0 HD22 ASN A 81 12.997 -12.988 -12.735 1.00 0.00 H new ATOM 1346 N ARG A 82 14.365 -11.565 -8.285 1.00 0.00 N ATOM 1347 CA ARG A 82 15.616 -10.964 -7.830 1.00 0.00 C ATOM 1348 C ARG A 82 16.199 -10.049 -8.904 1.00 0.00 C ATOM 1349 O ARG A 82 16.718 -8.975 -8.603 1.00 0.00 O ATOM 1350 CB ARG A 82 16.625 -12.060 -7.469 1.00 0.00 C ATOM 1351 CG ARG A 82 18.011 -11.535 -7.122 1.00 0.00 C ATOM 1352 CD ARG A 82 19.068 -12.620 -7.250 1.00 0.00 C ATOM 1353 NE ARG A 82 19.714 -12.604 -8.562 1.00 0.00 N ATOM 1354 CZ ARG A 82 19.339 -13.367 -9.589 1.00 0.00 C ATOM 1355 NH1 ARG A 82 18.328 -14.218 -9.466 1.00 0.00 N ATOM 1356 NH2 ARG A 82 19.982 -13.278 -10.745 1.00 0.00 N ATOM 0 H ARG A 82 14.326 -12.580 -8.190 1.00 0.00 H new ATOM 0 HA ARG A 82 15.407 -10.365 -6.944 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.241 -12.629 -6.622 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.709 -12.752 -8.307 1.00 0.00 H new ATOM 0 HG2 ARG A 82 18.261 -10.703 -7.780 1.00 0.00 H new ATOM 0 HG3 ARG A 82 18.009 -11.146 -6.104 1.00 0.00 H new ATOM 0 HD2 ARG A 82 19.821 -12.486 -6.474 1.00 0.00 H new ATOM 0 HD3 ARG A 82 18.609 -13.595 -7.084 1.00 0.00 H new ATOM 0 HE ARG A 82 20.501 -11.969 -8.700 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.830 -14.293 -8.579 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.049 -14.797 -10.258 1.00 0.00 H new ATOM 0 HH21 ARG A 82 20.761 -12.627 -10.847 1.00 0.00 H new ATOM 0 HH22 ARG A 82 19.698 -13.860 -11.533 1.00 0.00 H new ATOM 1370 N SER A 83 16.105 -10.482 -10.158 1.00 0.00 N ATOM 1371 CA SER A 83 16.619 -9.701 -11.278 1.00 0.00 C ATOM 1372 C SER A 83 16.091 -8.271 -11.228 1.00 0.00 C ATOM 1373 O SER A 83 16.772 -7.333 -11.640 1.00 0.00 O ATOM 1374 CB SER A 83 16.230 -10.356 -12.605 1.00 0.00 C ATOM 1375 OG SER A 83 17.231 -11.255 -13.044 1.00 0.00 O ATOM 0 H SER A 83 15.678 -11.369 -10.424 1.00 0.00 H new ATOM 0 HA SER A 83 17.706 -9.672 -11.202 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.286 -10.888 -12.488 1.00 0.00 H new ATOM 0 HB3 SER A 83 16.071 -9.587 -13.361 1.00 0.00 H new ATOM 0 HG SER A 83 16.957 -11.661 -13.893 1.00 0.00 H new ATOM 1381 N ASN A 84 14.874 -8.117 -10.717 1.00 0.00 N ATOM 1382 CA ASN A 84 14.251 -6.804 -10.606 1.00 0.00 C ATOM 1383 C ASN A 84 14.632 -6.131 -9.290 1.00 0.00 C ATOM 1384 O ASN A 84 14.708 -4.908 -9.209 1.00 0.00 O ATOM 1385 CB ASN A 84 12.730 -6.927 -10.705 1.00 0.00 C ATOM 1386 CG ASN A 84 12.237 -6.863 -12.137 1.00 0.00 C ATOM 1387 OD1 ASN A 84 12.674 -6.020 -12.919 1.00 0.00 O ATOM 1388 ND2 ASN A 84 11.320 -7.758 -12.488 1.00 0.00 N ATOM 0 H ASN A 84 14.299 -8.886 -10.373 1.00 0.00 H new ATOM 0 HA ASN A 84 14.613 -6.188 -11.429 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.414 -7.869 -10.257 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.265 -6.128 -10.128 1.00 0.00 H new ATOM 0 HD21 ASN A 84 10.950 -7.764 -13.439 1.00 0.00 H new ATOM 0 HD22 ASN A 84 10.986 -8.440 -11.807 1.00 0.00 H new ATOM 1395 N ILE A 85 14.868 -6.943 -8.264 1.00 0.00 N ATOM 1396 CA ILE A 85 15.240 -6.431 -6.949 1.00 0.00 C ATOM 1397 C ILE A 85 16.710 -6.023 -6.915 1.00 0.00 C ATOM 1398 O ILE A 85 17.035 -4.845 -6.757 1.00 0.00 O ATOM 1399 CB ILE A 85 14.974 -7.484 -5.848 1.00 0.00 C ATOM 1400 CG1 ILE A 85 13.466 -7.677 -5.659 1.00 0.00 C ATOM 1401 CG2 ILE A 85 15.640 -7.087 -4.535 1.00 0.00 C ATOM 1402 CD1 ILE A 85 12.790 -6.554 -4.897 1.00 0.00 C ATOM 0 H ILE A 85 14.808 -7.960 -8.318 1.00 0.00 H new ATOM 0 HA ILE A 85 14.624 -5.553 -6.757 1.00 0.00 H new ATOM 0 HB ILE A 85 15.410 -8.431 -6.165 1.00 0.00 H new ATOM 0 HG12 ILE A 85 12.997 -7.771 -6.638 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.294 -8.615 -5.131 1.00 0.00 H new ATOM 0 HG21 ILE A 85 15.436 -7.846 -3.780 1.00 0.00 H new ATOM 0 HG22 ILE A 85 16.717 -7.003 -4.684 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.244 -6.128 -4.202 1.00 0.00 H new ATOM 0 HD11 ILE A 85 11.725 -6.766 -4.806 1.00 0.00 H new ATOM 0 HD12 ILE A 85 13.230 -6.472 -3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 85 12.929 -5.615 -5.433 1.00 0.00 H new ATOM 1414 N CYS A 86 17.595 -7.005 -7.060 1.00 0.00 N ATOM 1415 CA CYS A 86 19.033 -6.753 -7.044 1.00 0.00 C ATOM 1416 C CYS A 86 19.407 -5.612 -7.986 1.00 0.00 C ATOM 1417 O CYS A 86 20.414 -4.933 -7.782 1.00 0.00 O ATOM 1418 CB CYS A 86 19.796 -8.021 -7.434 1.00 0.00 C ATOM 1419 SG CYS A 86 20.172 -9.114 -6.045 1.00 0.00 S ATOM 0 H CYS A 86 17.341 -7.984 -7.190 1.00 0.00 H new ATOM 0 HA CYS A 86 19.310 -6.462 -6.031 1.00 0.00 H new ATOM 0 HB2 CYS A 86 19.210 -8.573 -8.168 1.00 0.00 H new ATOM 0 HB3 CYS A 86 20.729 -7.736 -7.920 1.00 0.00 H new ATOM 0 HG CYS A 86 20.816 -10.158 -6.476 1.00 0.00 H new ATOM 1425 N ARG A 87 18.595 -5.408 -9.017 1.00 0.00 N ATOM 1426 CA ARG A 87 18.850 -4.349 -9.985 1.00 0.00 C ATOM 1427 C ARG A 87 18.285 -3.013 -9.506 1.00 0.00 C ATOM 1428 O ARG A 87 18.782 -1.956 -9.880 1.00 0.00 O ATOM 1429 CB ARG A 87 18.257 -4.721 -11.352 1.00 0.00 C ATOM 1430 CG ARG A 87 16.779 -4.385 -11.501 1.00 0.00 C ATOM 1431 CD ARG A 87 16.573 -3.134 -12.339 1.00 0.00 C ATOM 1432 NE ARG A 87 17.194 -3.251 -13.658 1.00 0.00 N ATOM 1433 CZ ARG A 87 16.724 -4.026 -14.632 1.00 0.00 C ATOM 1434 NH1 ARG A 87 15.632 -4.756 -14.441 1.00 0.00 N ATOM 1435 NH2 ARG A 87 17.348 -4.072 -15.800 1.00 0.00 N ATOM 0 H ARG A 87 17.758 -5.960 -9.203 1.00 0.00 H new ATOM 0 HA ARG A 87 19.930 -4.240 -10.087 1.00 0.00 H new ATOM 0 HB2 ARG A 87 18.816 -4.204 -12.132 1.00 0.00 H new ATOM 0 HB3 ARG A 87 18.394 -5.790 -11.517 1.00 0.00 H new ATOM 0 HG2 ARG A 87 16.259 -5.224 -11.964 1.00 0.00 H new ATOM 0 HG3 ARG A 87 16.337 -4.241 -10.515 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.505 -2.947 -12.456 1.00 0.00 H new ATOM 0 HD3 ARG A 87 16.991 -2.274 -11.816 1.00 0.00 H new ATOM 0 HE ARG A 87 18.037 -2.707 -13.842 1.00 0.00 H new ATOM 0 HH11 ARG A 87 15.148 -4.725 -13.544 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.277 -5.348 -15.192 1.00 0.00 H new ATOM 0 HH21 ARG A 87 18.188 -3.514 -15.952 1.00 0.00 H new ATOM 0 HH22 ARG A 87 16.988 -4.666 -16.547 1.00 0.00 H new ATOM 1449 N PHE A 88 17.245 -3.067 -8.678 1.00 0.00 N ATOM 1450 CA PHE A 88 16.622 -1.851 -8.162 1.00 0.00 C ATOM 1451 C PHE A 88 17.391 -1.308 -6.959 1.00 0.00 C ATOM 1452 O PHE A 88 17.347 -0.113 -6.677 1.00 0.00 O ATOM 1453 CB PHE A 88 15.149 -2.119 -7.799 1.00 0.00 C ATOM 1454 CG PHE A 88 14.767 -1.761 -6.383 1.00 0.00 C ATOM 1455 CD1 PHE A 88 14.780 -0.439 -5.960 1.00 0.00 C ATOM 1456 CD2 PHE A 88 14.416 -2.746 -5.472 1.00 0.00 C ATOM 1457 CE1 PHE A 88 14.445 -0.111 -4.660 1.00 0.00 C ATOM 1458 CE2 PHE A 88 14.085 -2.422 -4.176 1.00 0.00 C ATOM 1459 CZ PHE A 88 14.097 -1.104 -3.766 1.00 0.00 C ATOM 0 H PHE A 88 16.818 -3.934 -8.352 1.00 0.00 H new ATOM 0 HA PHE A 88 16.653 -1.092 -8.943 1.00 0.00 H new ATOM 0 HB2 PHE A 88 14.513 -1.558 -8.484 1.00 0.00 H new ATOM 0 HB3 PHE A 88 14.937 -3.176 -7.961 1.00 0.00 H new ATOM 0 HD1 PHE A 88 15.055 0.341 -6.654 1.00 0.00 H new ATOM 0 HD2 PHE A 88 14.402 -3.780 -5.783 1.00 0.00 H new ATOM 0 HE1 PHE A 88 14.455 0.922 -4.343 1.00 0.00 H new ATOM 0 HE2 PHE A 88 13.815 -3.201 -3.478 1.00 0.00 H new ATOM 0 HZ PHE A 88 13.835 -0.850 -2.749 1.00 0.00 H new ATOM 1469 N LEU A 89 18.087 -2.186 -6.248 1.00 0.00 N ATOM 1470 CA LEU A 89 18.848 -1.773 -5.075 1.00 0.00 C ATOM 1471 C LEU A 89 20.121 -1.031 -5.472 1.00 0.00 C ATOM 1472 O LEU A 89 20.287 0.147 -5.155 1.00 0.00 O ATOM 1473 CB LEU A 89 19.197 -2.988 -4.210 1.00 0.00 C ATOM 1474 CG LEU A 89 18.007 -3.850 -3.777 1.00 0.00 C ATOM 1475 CD1 LEU A 89 18.430 -4.829 -2.694 1.00 0.00 C ATOM 1476 CD2 LEU A 89 16.858 -2.978 -3.285 1.00 0.00 C ATOM 0 H LEU A 89 18.141 -3.182 -6.461 1.00 0.00 H new ATOM 0 HA LEU A 89 18.224 -1.091 -4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 89 19.897 -3.616 -4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 89 19.716 -2.640 -3.317 1.00 0.00 H new ATOM 0 HG LEU A 89 17.661 -4.414 -4.643 1.00 0.00 H new ATOM 0 HD11 LEU A 89 17.574 -5.435 -2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 89 19.218 -5.478 -3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 89 18.802 -4.278 -1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.024 -3.611 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 89 17.190 -2.385 -2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 89 16.537 -2.313 -4.087 1.00 0.00 H new ATOM 1488 N THR A 90 21.021 -1.727 -6.159 1.00 0.00 N ATOM 1489 CA THR A 90 22.282 -1.131 -6.590 1.00 0.00 C ATOM 1490 C THR A 90 22.052 -0.005 -7.596 1.00 0.00 C ATOM 1491 O THR A 90 22.895 0.879 -7.752 1.00 0.00 O ATOM 1492 CB THR A 90 23.187 -2.200 -7.204 1.00 0.00 C ATOM 1493 OG1 THR A 90 24.436 -1.647 -7.574 1.00 0.00 O ATOM 1494 CG2 THR A 90 22.591 -2.854 -8.431 1.00 0.00 C ATOM 0 H THR A 90 20.902 -2.703 -6.429 1.00 0.00 H new ATOM 0 HA THR A 90 22.767 -0.706 -5.711 1.00 0.00 H new ATOM 0 HB THR A 90 23.306 -2.958 -6.430 1.00 0.00 H new ATOM 0 HG1 THR A 90 25.001 -2.347 -7.963 1.00 0.00 H new ATOM 0 HG21 THR A 90 23.283 -3.602 -8.817 1.00 0.00 H new ATOM 0 HG22 THR A 90 21.649 -3.334 -8.166 1.00 0.00 H new ATOM 0 HG23 THR A 90 22.411 -2.098 -9.195 1.00 0.00 H new ATOM 1502 N ALA A 91 20.913 -0.044 -8.281 1.00 0.00 N ATOM 1503 CA ALA A 91 20.585 0.971 -9.276 1.00 0.00 C ATOM 1504 C ALA A 91 19.614 2.009 -8.725 1.00 0.00 C ATOM 1505 O ALA A 91 19.532 3.126 -9.237 1.00 0.00 O ATOM 1506 CB ALA A 91 19.993 0.318 -10.513 1.00 0.00 C ATOM 0 H ALA A 91 20.203 -0.767 -8.165 1.00 0.00 H new ATOM 0 HA ALA A 91 21.510 1.484 -9.540 1.00 0.00 H new ATOM 0 HB1 ALA A 91 19.752 1.085 -11.249 1.00 0.00 H new ATOM 0 HB2 ALA A 91 20.716 -0.378 -10.938 1.00 0.00 H new ATOM 0 HB3 ALA A 91 19.086 -0.222 -10.241 1.00 0.00 H new ATOM 1512 N SER A 92 18.868 1.633 -7.692 1.00 0.00 N ATOM 1513 CA SER A 92 17.891 2.532 -7.088 1.00 0.00 C ATOM 1514 C SER A 92 16.772 2.841 -8.080 1.00 0.00 C ATOM 1515 O SER A 92 16.547 3.996 -8.441 1.00 0.00 O ATOM 1516 CB SER A 92 18.566 3.830 -6.631 1.00 0.00 C ATOM 1517 OG SER A 92 18.881 3.781 -5.250 1.00 0.00 O ATOM 0 H SER A 92 18.921 0.713 -7.256 1.00 0.00 H new ATOM 0 HA SER A 92 17.461 2.039 -6.216 1.00 0.00 H new ATOM 0 HB2 SER A 92 19.475 3.994 -7.209 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.907 4.675 -6.827 1.00 0.00 H new ATOM 0 HG SER A 92 19.312 4.620 -4.983 1.00 0.00 H new ATOM 1523 N GLN A 93 16.075 1.794 -8.522 1.00 0.00 N ATOM 1524 CA GLN A 93 14.980 1.948 -9.479 1.00 0.00 C ATOM 1525 C GLN A 93 14.044 3.075 -9.060 1.00 0.00 C ATOM 1526 O GLN A 93 13.769 3.988 -9.839 1.00 0.00 O ATOM 1527 CB GLN A 93 14.197 0.640 -9.606 1.00 0.00 C ATOM 1528 CG GLN A 93 13.135 0.669 -10.692 1.00 0.00 C ATOM 1529 CD GLN A 93 13.726 0.593 -12.087 1.00 0.00 C ATOM 1530 OE1 GLN A 93 14.867 0.998 -12.312 1.00 0.00 O ATOM 1531 NE2 GLN A 93 12.950 0.074 -13.030 1.00 0.00 N ATOM 0 H GLN A 93 16.249 0.831 -8.233 1.00 0.00 H new ATOM 0 HA GLN A 93 15.412 2.201 -10.447 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.894 -0.172 -9.813 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.722 0.417 -8.651 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.448 -0.165 -10.546 1.00 0.00 H new ATOM 0 HG3 GLN A 93 12.550 1.584 -10.599 1.00 0.00 H new ATOM 0 HE21 GLN A 93 12.011 -0.249 -12.797 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.293 -0.002 -13.988 1.00 0.00 H new ATOM 1540 N ASP A 94 13.567 3.015 -7.822 1.00 0.00 N ATOM 1541 CA ASP A 94 12.675 4.042 -7.300 1.00 0.00 C ATOM 1542 C ASP A 94 13.153 4.528 -5.934 1.00 0.00 C ATOM 1543 O ASP A 94 12.458 5.288 -5.261 1.00 0.00 O ATOM 1544 CB ASP A 94 11.248 3.500 -7.195 1.00 0.00 C ATOM 1545 CG ASP A 94 10.352 4.015 -8.304 1.00 0.00 C ATOM 1546 OD1 ASP A 94 10.873 4.317 -9.398 1.00 0.00 O ATOM 1547 OD2 ASP A 94 9.127 4.117 -8.078 1.00 0.00 O ATOM 0 H ASP A 94 13.783 2.267 -7.163 1.00 0.00 H new ATOM 0 HA ASP A 94 12.683 4.886 -7.990 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.273 2.411 -7.228 1.00 0.00 H new ATOM 0 HB3 ASP A 94 10.826 3.781 -6.230 1.00 0.00 H new ATOM 1552 N LYS A 95 14.340 4.069 -5.523 1.00 0.00 N ATOM 1553 CA LYS A 95 14.916 4.436 -4.233 1.00 0.00 C ATOM 1554 C LYS A 95 14.330 3.577 -3.116 1.00 0.00 C ATOM 1555 O LYS A 95 14.957 3.389 -2.074 1.00 0.00 O ATOM 1556 CB LYS A 95 14.688 5.922 -3.931 1.00 0.00 C ATOM 1557 CG LYS A 95 15.925 6.632 -3.404 1.00 0.00 C ATOM 1558 CD LYS A 95 16.215 7.907 -4.181 1.00 0.00 C ATOM 1559 CE LYS A 95 17.327 7.702 -5.196 1.00 0.00 C ATOM 1560 NZ LYS A 95 18.255 8.866 -5.246 1.00 0.00 N ATOM 0 H LYS A 95 14.922 3.437 -6.074 1.00 0.00 H new ATOM 0 HA LYS A 95 15.990 4.257 -4.285 1.00 0.00 H new ATOM 0 HB2 LYS A 95 14.352 6.422 -4.840 1.00 0.00 H new ATOM 0 HB3 LYS A 95 13.885 6.017 -3.200 1.00 0.00 H new ATOM 0 HG2 LYS A 95 15.786 6.872 -2.350 1.00 0.00 H new ATOM 0 HG3 LYS A 95 16.783 5.963 -3.468 1.00 0.00 H new ATOM 0 HD2 LYS A 95 15.310 8.236 -4.693 1.00 0.00 H new ATOM 0 HD3 LYS A 95 16.496 8.700 -3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 95 17.887 6.802 -4.944 1.00 0.00 H new ATOM 0 HE3 LYS A 95 16.893 7.541 -6.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 18.999 8.687 -5.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 17.726 9.721 -5.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 18.689 9.004 -4.311 1.00 0.00 H new ATOM 1574 N ILE A 96 13.123 3.060 -3.340 1.00 0.00 N ATOM 1575 CA ILE A 96 12.452 2.225 -2.356 1.00 0.00 C ATOM 1576 C ILE A 96 11.432 1.306 -3.023 1.00 0.00 C ATOM 1577 O ILE A 96 10.644 1.741 -3.864 1.00 0.00 O ATOM 1578 CB ILE A 96 11.733 3.083 -1.300 1.00 0.00 C ATOM 1579 CG1 ILE A 96 12.684 4.143 -0.737 1.00 0.00 C ATOM 1580 CG2 ILE A 96 11.160 2.209 -0.194 1.00 0.00 C ATOM 1581 CD1 ILE A 96 12.112 4.928 0.419 1.00 0.00 C ATOM 0 H ILE A 96 12.592 3.208 -4.198 1.00 0.00 H new ATOM 0 HA ILE A 96 13.219 1.622 -1.870 1.00 0.00 H new ATOM 0 HB ILE A 96 10.900 3.598 -1.778 1.00 0.00 H new ATOM 0 HG12 ILE A 96 13.604 3.656 -0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 96 12.954 4.835 -1.535 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.656 2.836 0.541 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.446 1.505 -0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 96 11.967 1.659 0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 96 12.845 5.658 0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.209 5.445 0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.868 4.248 1.235 1.00 0.00 H new ATOM 1593 N LEU A 97 11.466 0.032 -2.638 1.00 0.00 N ATOM 1594 CA LEU A 97 10.565 -0.997 -3.173 1.00 0.00 C ATOM 1595 C LEU A 97 9.218 -0.426 -3.638 1.00 0.00 C ATOM 1596 O LEU A 97 8.832 -0.608 -4.793 1.00 0.00 O ATOM 1597 CB LEU A 97 10.331 -2.078 -2.111 1.00 0.00 C ATOM 1598 CG LEU A 97 10.297 -3.524 -2.626 1.00 0.00 C ATOM 1599 CD1 LEU A 97 9.260 -3.681 -3.718 1.00 0.00 C ATOM 1600 CD2 LEU A 97 11.663 -3.958 -3.134 1.00 0.00 C ATOM 0 H LEU A 97 12.122 -0.322 -1.942 1.00 0.00 H new ATOM 0 HA LEU A 97 11.050 -1.425 -4.051 1.00 0.00 H new ATOM 0 HB2 LEU A 97 11.116 -1.998 -1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.387 -1.869 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 97 10.023 -4.167 -1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 97 9.253 -4.713 -4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.276 -3.425 -3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.503 -3.018 -4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.608 -4.986 -3.492 1.00 0.00 H new ATOM 0 HD22 LEU A 97 11.972 -3.305 -3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 97 12.390 -3.894 -2.324 1.00 0.00 H new ATOM 1612 N PHE A 98 8.496 0.247 -2.740 1.00 0.00 N ATOM 1613 CA PHE A 98 7.191 0.811 -3.093 1.00 0.00 C ATOM 1614 C PHE A 98 6.978 2.204 -2.497 1.00 0.00 C ATOM 1615 O PHE A 98 5.882 2.529 -2.039 1.00 0.00 O ATOM 1616 CB PHE A 98 6.074 -0.129 -2.636 1.00 0.00 C ATOM 1617 CG PHE A 98 5.834 -0.108 -1.155 1.00 0.00 C ATOM 1618 CD1 PHE A 98 6.723 -0.720 -0.289 1.00 0.00 C ATOM 1619 CD2 PHE A 98 4.718 0.521 -0.633 1.00 0.00 C ATOM 1620 CE1 PHE A 98 6.501 -0.704 1.073 1.00 0.00 C ATOM 1621 CE2 PHE A 98 4.491 0.542 0.728 1.00 0.00 C ATOM 1622 CZ PHE A 98 5.384 -0.074 1.582 1.00 0.00 C ATOM 0 H PHE A 98 8.787 0.413 -1.777 1.00 0.00 H new ATOM 0 HA PHE A 98 7.166 0.915 -4.178 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.151 0.142 -3.148 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.320 -1.146 -2.941 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.599 -1.215 -0.683 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.016 1.001 -1.299 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.201 -1.184 1.740 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.618 1.039 1.124 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.208 -0.063 2.648 1.00 0.00 H new ATOM 1632 N LYS A 99 8.017 3.030 -2.517 1.00 0.00 N ATOM 1633 CA LYS A 99 7.922 4.385 -1.991 1.00 0.00 C ATOM 1634 C LYS A 99 6.845 5.169 -2.735 1.00 0.00 C ATOM 1635 O LYS A 99 5.921 5.710 -2.128 1.00 0.00 O ATOM 1636 CB LYS A 99 9.278 5.092 -2.115 1.00 0.00 C ATOM 1637 CG LYS A 99 9.195 6.537 -2.578 1.00 0.00 C ATOM 1638 CD LYS A 99 10.433 7.323 -2.183 1.00 0.00 C ATOM 1639 CE LYS A 99 11.608 7.012 -3.096 1.00 0.00 C ATOM 1640 NZ LYS A 99 11.512 7.739 -4.391 1.00 0.00 N ATOM 0 H LYS A 99 8.934 2.785 -2.891 1.00 0.00 H new ATOM 0 HA LYS A 99 7.646 4.335 -0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.779 5.062 -1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 99 9.901 4.535 -2.814 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.075 6.566 -3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.312 7.008 -2.147 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.215 8.390 -2.221 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.700 7.089 -1.153 1.00 0.00 H new ATOM 0 HE2 LYS A 99 12.538 7.283 -2.596 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.648 5.939 -3.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 11.798 7.107 -5.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 10.531 8.050 -4.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 12.139 8.568 -4.371 1.00 0.00 H new ATOM 1654 N ASP A 100 6.978 5.227 -4.055 1.00 0.00 N ATOM 1655 CA ASP A 100 6.026 5.946 -4.892 1.00 0.00 C ATOM 1656 C ASP A 100 4.594 5.548 -4.553 1.00 0.00 C ATOM 1657 O ASP A 100 3.664 6.329 -4.738 1.00 0.00 O ATOM 1658 CB ASP A 100 6.306 5.673 -6.370 1.00 0.00 C ATOM 1659 CG ASP A 100 5.712 6.733 -7.276 1.00 0.00 C ATOM 1660 OD1 ASP A 100 5.697 7.917 -6.876 1.00 0.00 O ATOM 1661 OD2 ASP A 100 5.260 6.381 -8.386 1.00 0.00 O ATOM 0 H ASP A 100 7.739 4.783 -4.570 1.00 0.00 H new ATOM 0 HA ASP A 100 6.144 7.012 -4.698 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.383 5.624 -6.530 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.899 4.699 -6.640 1.00 0.00 H new ATOM 1666 N VAL A 101 4.426 4.326 -4.058 1.00 0.00 N ATOM 1667 CA VAL A 101 3.106 3.827 -3.698 1.00 0.00 C ATOM 1668 C VAL A 101 2.698 4.300 -2.318 1.00 0.00 C ATOM 1669 O VAL A 101 1.690 4.978 -2.170 1.00 0.00 O ATOM 1670 CB VAL A 101 3.054 2.299 -3.769 1.00 0.00 C ATOM 1671 CG1 VAL A 101 1.642 1.791 -3.516 1.00 0.00 C ATOM 1672 CG2 VAL A 101 3.556 1.859 -5.124 1.00 0.00 C ATOM 0 H VAL A 101 5.186 3.665 -3.898 1.00 0.00 H new ATOM 0 HA VAL A 101 2.398 4.230 -4.423 1.00 0.00 H new ATOM 0 HB VAL A 101 3.691 1.876 -2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.631 0.702 -3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.314 2.107 -2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.968 2.199 -4.269 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.524 0.771 -5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.925 2.287 -5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.582 2.201 -5.260 1.00 0.00 H new ATOM 1682 N ASN A 102 3.492 3.978 -1.304 1.00 0.00 N ATOM 1683 CA ASN A 102 3.179 4.434 0.043 1.00 0.00 C ATOM 1684 C ASN A 102 2.947 5.943 0.018 1.00 0.00 C ATOM 1685 O ASN A 102 2.242 6.495 0.862 1.00 0.00 O ATOM 1686 CB ASN A 102 4.305 4.070 1.018 1.00 0.00 C ATOM 1687 CG ASN A 102 5.594 4.837 0.777 1.00 0.00 C ATOM 1688 OD1 ASN A 102 5.586 5.966 0.290 1.00 0.00 O ATOM 1689 ND2 ASN A 102 6.714 4.223 1.132 1.00 0.00 N ATOM 0 H ASN A 102 4.339 3.415 -1.385 1.00 0.00 H new ATOM 0 HA ASN A 102 2.273 3.937 0.390 1.00 0.00 H new ATOM 0 HB2 ASN A 102 3.966 4.258 2.037 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.509 3.002 0.942 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.613 4.688 1.004 1.00 0.00 H new ATOM 0 HD22 ASN A 102 6.677 3.286 1.533 1.00 0.00 H new ATOM 1696 N ARG A 103 3.538 6.592 -0.983 1.00 0.00 N ATOM 1697 CA ARG A 103 3.403 8.025 -1.167 1.00 0.00 C ATOM 1698 C ARG A 103 2.105 8.357 -1.900 1.00 0.00 C ATOM 1699 O ARG A 103 1.360 9.241 -1.472 1.00 0.00 O ATOM 1700 CB ARG A 103 4.592 8.575 -1.951 1.00 0.00 C ATOM 1701 CG ARG A 103 5.840 8.775 -1.107 1.00 0.00 C ATOM 1702 CD ARG A 103 6.693 9.918 -1.634 1.00 0.00 C ATOM 1703 NE ARG A 103 7.637 10.406 -0.630 1.00 0.00 N ATOM 1704 CZ ARG A 103 8.709 11.140 -0.916 1.00 0.00 C ATOM 1705 NH1 ARG A 103 8.975 11.477 -2.171 1.00 0.00 N ATOM 1706 NH2 ARG A 103 9.517 11.540 0.057 1.00 0.00 N ATOM 0 H ARG A 103 4.121 6.136 -1.685 1.00 0.00 H new ATOM 0 HA ARG A 103 3.378 8.491 -0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.823 7.893 -2.769 1.00 0.00 H new ATOM 0 HB3 ARG A 103 4.311 9.528 -2.400 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.554 8.979 -0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.426 7.856 -1.099 1.00 0.00 H new ATOM 0 HD2 ARG A 103 7.241 9.585 -2.515 1.00 0.00 H new ATOM 0 HD3 ARG A 103 6.047 10.736 -1.951 1.00 0.00 H new ATOM 0 HE ARG A 103 7.464 10.170 0.347 1.00 0.00 H new ATOM 0 HH11 ARG A 103 8.356 11.173 -2.923 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.798 12.040 -2.384 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.316 11.285 1.024 1.00 0.00 H new ATOM 0 HH22 ARG A 103 10.339 12.103 -0.162 1.00 0.00 H new ATOM 1720 N LYS A 104 1.816 7.644 -2.996 1.00 0.00 N ATOM 1721 CA LYS A 104 0.589 7.901 -3.732 1.00 0.00 C ATOM 1722 C LYS A 104 -0.570 7.233 -3.006 1.00 0.00 C ATOM 1723 O LYS A 104 -1.602 7.851 -2.751 1.00 0.00 O ATOM 1724 CB LYS A 104 0.732 7.409 -5.185 1.00 0.00 C ATOM 1725 CG LYS A 104 -0.290 6.369 -5.634 1.00 0.00 C ATOM 1726 CD LYS A 104 0.357 5.027 -5.943 1.00 0.00 C ATOM 1727 CE LYS A 104 1.522 5.164 -6.915 1.00 0.00 C ATOM 1728 NZ LYS A 104 1.223 6.128 -8.011 1.00 0.00 N ATOM 0 H LYS A 104 2.404 6.904 -3.379 1.00 0.00 H new ATOM 0 HA LYS A 104 0.388 8.971 -3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.663 8.270 -5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.730 6.989 -5.311 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.040 6.238 -4.854 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.811 6.732 -6.520 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.709 4.573 -5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.389 4.354 -6.364 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.409 5.494 -6.374 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.754 4.189 -7.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.791 5.888 -8.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.212 6.078 -8.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.457 7.092 -7.699 1.00 0.00 H new ATOM 1742 N LEU A 105 -0.361 5.971 -2.662 1.00 0.00 N ATOM 1743 CA LEU A 105 -1.341 5.171 -1.943 1.00 0.00 C ATOM 1744 C LEU A 105 -1.811 5.883 -0.672 1.00 0.00 C ATOM 1745 O LEU A 105 -2.987 5.811 -0.310 1.00 0.00 O ATOM 1746 CB LEU A 105 -0.720 3.811 -1.600 1.00 0.00 C ATOM 1747 CG LEU A 105 -1.662 2.789 -0.968 1.00 0.00 C ATOM 1748 CD1 LEU A 105 -1.066 1.393 -1.037 1.00 0.00 C ATOM 1749 CD2 LEU A 105 -1.960 3.171 0.470 1.00 0.00 C ATOM 0 H LEU A 105 0.501 5.469 -2.876 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.215 5.026 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.308 3.381 -2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.116 3.976 -0.920 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.596 2.786 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.754 0.681 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.899 1.120 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.117 1.376 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.633 2.435 0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.031 3.199 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.431 4.154 0.495 1.00 0.00 H new ATOM 1761 N SER A 106 -0.890 6.573 0.003 1.00 0.00 N ATOM 1762 CA SER A 106 -1.231 7.292 1.230 1.00 0.00 C ATOM 1763 C SER A 106 -2.201 8.432 0.943 1.00 0.00 C ATOM 1764 O SER A 106 -3.285 8.499 1.523 1.00 0.00 O ATOM 1765 CB SER A 106 0.026 7.848 1.904 1.00 0.00 C ATOM 1766 OG SER A 106 0.739 8.709 1.034 1.00 0.00 O ATOM 0 H SER A 106 0.088 6.649 -0.276 1.00 0.00 H new ATOM 0 HA SER A 106 -1.710 6.581 1.903 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.253 8.390 2.807 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.670 7.025 2.213 1.00 0.00 H new ATOM 0 HG SER A 106 1.558 8.264 0.732 1.00 0.00 H new ATOM 1772 N ASP A 107 -1.803 9.326 0.045 1.00 0.00 N ATOM 1773 CA ASP A 107 -2.633 10.469 -0.322 1.00 0.00 C ATOM 1774 C ASP A 107 -4.055 10.036 -0.663 1.00 0.00 C ATOM 1775 O ASP A 107 -5.014 10.774 -0.436 1.00 0.00 O ATOM 1776 CB ASP A 107 -2.022 11.191 -1.519 1.00 0.00 C ATOM 1777 CG ASP A 107 -2.128 12.699 -1.407 1.00 0.00 C ATOM 1778 OD1 ASP A 107 -1.226 13.314 -0.800 1.00 0.00 O ATOM 1779 OD2 ASP A 107 -3.114 13.264 -1.924 1.00 0.00 O ATOM 0 H ASP A 107 -0.909 9.282 -0.444 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.675 11.141 0.535 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.973 10.910 -1.611 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.521 10.862 -2.430 1.00 0.00 H new ATOM 1784 N VAL A 108 -4.179 8.838 -1.217 1.00 0.00 N ATOM 1785 CA VAL A 108 -5.474 8.299 -1.600 1.00 0.00 C ATOM 1786 C VAL A 108 -6.371 8.126 -0.389 1.00 0.00 C ATOM 1787 O VAL A 108 -7.520 8.561 -0.396 1.00 0.00 O ATOM 1788 CB VAL A 108 -5.341 6.941 -2.308 1.00 0.00 C ATOM 1789 CG1 VAL A 108 -6.559 6.661 -3.167 1.00 0.00 C ATOM 1790 CG2 VAL A 108 -4.080 6.884 -3.146 1.00 0.00 C ATOM 0 H VAL A 108 -3.392 8.218 -1.412 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.917 9.018 -2.290 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.274 6.170 -1.540 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -6.443 5.695 -3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.450 6.645 -2.540 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.660 7.442 -3.921 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.012 5.912 -3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.109 7.669 -3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.210 7.029 -2.505 1.00 0.00 H new ATOM 1800 N TRP A 109 -5.848 7.490 0.656 1.00 0.00 N ATOM 1801 CA TRP A 109 -6.647 7.285 1.861 1.00 0.00 C ATOM 1802 C TRP A 109 -7.020 8.625 2.474 1.00 0.00 C ATOM 1803 O TRP A 109 -8.115 8.793 3.006 1.00 0.00 O ATOM 1804 CB TRP A 109 -5.938 6.422 2.908 1.00 0.00 C ATOM 1805 CG TRP A 109 -6.791 6.225 4.130 1.00 0.00 C ATOM 1806 CD1 TRP A 109 -6.438 6.434 5.432 1.00 0.00 C ATOM 1807 CD2 TRP A 109 -8.161 5.806 4.148 1.00 0.00 C ATOM 1808 NE1 TRP A 109 -7.509 6.172 6.259 1.00 0.00 N ATOM 1809 CE2 TRP A 109 -8.578 5.784 5.494 1.00 0.00 C ATOM 1810 CE3 TRP A 109 -9.077 5.447 3.156 1.00 0.00 C ATOM 1811 CZ2 TRP A 109 -9.875 5.419 5.865 1.00 0.00 C ATOM 1812 CZ3 TRP A 109 -10.356 5.087 3.526 1.00 0.00 C ATOM 1813 CH2 TRP A 109 -10.745 5.078 4.868 1.00 0.00 C ATOM 0 H TRP A 109 -4.900 7.116 0.695 1.00 0.00 H new ATOM 0 HA TRP A 109 -7.544 6.748 1.554 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -5.691 5.452 2.475 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.997 6.893 3.192 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -5.463 6.757 5.765 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.506 6.254 7.276 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -8.788 5.451 2.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -10.178 5.407 6.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -11.069 4.807 2.765 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -11.756 4.795 5.123 1.00 0.00 H new ATOM 1824 N LYS A 110 -6.106 9.583 2.383 1.00 0.00 N ATOM 1825 CA LYS A 110 -6.349 10.911 2.916 1.00 0.00 C ATOM 1826 C LYS A 110 -7.556 11.531 2.225 1.00 0.00 C ATOM 1827 O LYS A 110 -8.336 12.255 2.838 1.00 0.00 O ATOM 1828 CB LYS A 110 -5.117 11.794 2.719 1.00 0.00 C ATOM 1829 CG LYS A 110 -3.852 11.216 3.333 1.00 0.00 C ATOM 1830 CD LYS A 110 -2.742 12.252 3.399 1.00 0.00 C ATOM 1831 CE LYS A 110 -1.415 11.621 3.789 1.00 0.00 C ATOM 1832 NZ LYS A 110 -0.569 11.324 2.600 1.00 0.00 N ATOM 0 H LYS A 110 -5.193 9.462 1.945 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.552 10.832 3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -4.956 11.947 1.652 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.309 12.774 3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -4.068 10.848 4.336 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.519 10.361 2.745 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.642 12.743 2.431 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.006 13.024 4.122 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.877 12.292 4.458 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.600 10.700 4.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.427 11.255 2.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.869 10.423 2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.673 12.087 1.901 1.00 0.00 H new ATOM 1846 N GLU A 111 -7.699 11.229 0.940 1.00 0.00 N ATOM 1847 CA GLU A 111 -8.804 11.740 0.142 1.00 0.00 C ATOM 1848 C GLU A 111 -9.994 10.784 0.170 1.00 0.00 C ATOM 1849 O GLU A 111 -11.136 11.187 -0.037 1.00 0.00 O ATOM 1850 CB GLU A 111 -8.347 11.950 -1.298 1.00 0.00 C ATOM 1851 CG GLU A 111 -8.391 13.405 -1.730 1.00 0.00 C ATOM 1852 CD GLU A 111 -7.859 13.615 -3.133 1.00 0.00 C ATOM 1853 OE1 GLU A 111 -6.663 13.336 -3.362 1.00 0.00 O ATOM 1854 OE2 GLU A 111 -8.637 14.059 -4.003 1.00 0.00 O ATOM 0 H GLU A 111 -7.056 10.627 0.426 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.120 12.691 0.570 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.330 11.575 -1.408 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.978 11.360 -1.963 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.419 13.764 -1.678 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.808 14.005 -1.031 1.00 0.00 H new ATOM 1861 N LEU A 112 -9.712 9.516 0.420 1.00 0.00 N ATOM 1862 CA LEU A 112 -10.753 8.497 0.469 1.00 0.00 C ATOM 1863 C LEU A 112 -11.459 8.524 1.820 1.00 0.00 C ATOM 1864 O LEU A 112 -12.684 8.431 1.896 1.00 0.00 O ATOM 1865 CB LEU A 112 -10.146 7.116 0.204 1.00 0.00 C ATOM 1866 CG LEU A 112 -11.146 5.958 0.128 1.00 0.00 C ATOM 1867 CD1 LEU A 112 -12.318 6.303 -0.767 1.00 0.00 C ATOM 1868 CD2 LEU A 112 -10.466 4.707 -0.389 1.00 0.00 C ATOM 0 H LEU A 112 -8.770 9.165 0.593 1.00 0.00 H new ATOM 0 HA LEU A 112 -11.491 8.708 -0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.592 7.156 -0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.425 6.899 0.992 1.00 0.00 H new ATOM 0 HG LEU A 112 -11.520 5.778 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -13.010 5.462 -0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.832 7.180 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.957 6.516 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.189 3.893 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.065 4.896 -1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.653 4.431 0.283 1.00 0.00 H new ATOM 1880 N SER A 113 -10.675 8.663 2.883 1.00 0.00 N ATOM 1881 CA SER A 113 -11.215 8.718 4.234 1.00 0.00 C ATOM 1882 C SER A 113 -11.934 10.042 4.471 1.00 0.00 C ATOM 1883 O SER A 113 -13.037 10.070 5.018 1.00 0.00 O ATOM 1884 CB SER A 113 -10.091 8.535 5.259 1.00 0.00 C ATOM 1885 OG SER A 113 -9.638 9.783 5.759 1.00 0.00 O ATOM 0 H SER A 113 -9.659 8.740 2.833 1.00 0.00 H new ATOM 0 HA SER A 113 -11.936 7.909 4.352 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.446 7.918 6.084 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.259 8.003 4.798 1.00 0.00 H new ATOM 0 HG SER A 113 -8.922 9.634 6.412 1.00 0.00 H new ATOM 1891 N LEU A 114 -11.304 11.142 4.060 1.00 0.00 N ATOM 1892 CA LEU A 114 -11.894 12.462 4.236 1.00 0.00 C ATOM 1893 C LEU A 114 -13.198 12.577 3.445 1.00 0.00 C ATOM 1894 O LEU A 114 -14.115 13.289 3.853 1.00 0.00 O ATOM 1895 CB LEU A 114 -10.870 13.557 3.868 1.00 0.00 C ATOM 1896 CG LEU A 114 -11.147 14.403 2.616 1.00 0.00 C ATOM 1897 CD1 LEU A 114 -11.296 13.522 1.391 1.00 0.00 C ATOM 1898 CD2 LEU A 114 -12.376 15.278 2.804 1.00 0.00 C ATOM 0 H LEU A 114 -10.391 11.143 3.606 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.152 12.608 5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.783 14.234 4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.899 13.079 3.741 1.00 0.00 H new ATOM 0 HG LEU A 114 -10.290 15.059 2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -11.492 14.144 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -10.377 12.956 1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.127 12.832 1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -12.546 15.865 1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -13.245 14.649 2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.219 15.949 3.649 1.00 0.00 H new ATOM 1910 N LEU A 115 -13.285 11.856 2.326 1.00 0.00 N ATOM 1911 CA LEU A 115 -14.492 11.868 1.507 1.00 0.00 C ATOM 1912 C LEU A 115 -15.578 11.025 2.162 1.00 0.00 C ATOM 1913 O LEU A 115 -16.717 11.466 2.313 1.00 0.00 O ATOM 1914 CB LEU A 115 -14.196 11.327 0.106 1.00 0.00 C ATOM 1915 CG LEU A 115 -13.577 12.333 -0.860 1.00 0.00 C ATOM 1916 CD1 LEU A 115 -13.300 11.683 -2.206 1.00 0.00 C ATOM 1917 CD2 LEU A 115 -14.485 13.543 -1.024 1.00 0.00 C ATOM 0 H LEU A 115 -12.537 11.261 1.970 1.00 0.00 H new ATOM 0 HA LEU A 115 -14.838 12.898 1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.524 10.474 0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -15.125 10.956 -0.327 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.628 12.670 -0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -12.859 12.417 -2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.609 10.851 -2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -14.234 11.315 -2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -14.028 14.250 -1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -15.450 13.223 -1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -14.629 14.024 -0.056 1.00 0.00 H new ATOM 1929 N LEU A 116 -15.211 9.806 2.550 1.00 0.00 N ATOM 1930 CA LEU A 116 -16.144 8.892 3.192 1.00 0.00 C ATOM 1931 C LEU A 116 -16.827 9.556 4.381 1.00 0.00 C ATOM 1932 O LEU A 116 -18.033 9.410 4.577 1.00 0.00 O ATOM 1933 CB LEU A 116 -15.416 7.626 3.638 1.00 0.00 C ATOM 1934 CG LEU A 116 -15.400 6.510 2.596 1.00 0.00 C ATOM 1935 CD1 LEU A 116 -14.415 5.420 2.990 1.00 0.00 C ATOM 1936 CD2 LEU A 116 -16.796 5.939 2.424 1.00 0.00 C ATOM 0 H LEU A 116 -14.270 9.430 2.429 1.00 0.00 H new ATOM 0 HA LEU A 116 -16.912 8.623 2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -14.388 7.883 3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -15.887 7.252 4.547 1.00 0.00 H new ATOM 0 HG LEU A 116 -15.075 6.927 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -14.420 4.635 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -13.414 5.844 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -14.705 4.998 3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -16.775 5.144 1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -17.144 5.536 3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -17.473 6.727 2.094 1.00 0.00 H new ATOM 1948 N GLN A 117 -16.052 10.301 5.162 1.00 0.00 N ATOM 1949 CA GLN A 117 -16.594 11.004 6.318 1.00 0.00 C ATOM 1950 C GLN A 117 -17.754 11.901 5.894 1.00 0.00 C ATOM 1951 O GLN A 117 -18.621 12.236 6.698 1.00 0.00 O ATOM 1952 CB GLN A 117 -15.505 11.848 6.986 1.00 0.00 C ATOM 1953 CG GLN A 117 -14.615 11.059 7.931 1.00 0.00 C ATOM 1954 CD GLN A 117 -13.204 11.609 7.992 1.00 0.00 C ATOM 1955 OE1 GLN A 117 -12.954 12.641 8.616 1.00 0.00 O ATOM 1956 NE2 GLN A 117 -12.273 10.922 7.343 1.00 0.00 N ATOM 0 H GLN A 117 -15.051 10.433 5.016 1.00 0.00 H new ATOM 0 HA GLN A 117 -16.958 10.265 7.032 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -14.886 12.304 6.213 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -15.976 12.661 7.538 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -15.050 11.071 8.930 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -14.582 10.018 7.610 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -12.525 10.072 6.839 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -11.305 11.244 7.348 1.00 0.00 H new ATOM 1965 N VAL A 118 -17.753 12.294 4.623 1.00 0.00 N ATOM 1966 CA VAL A 118 -18.797 13.154 4.080 1.00 0.00 C ATOM 1967 C VAL A 118 -19.948 12.351 3.486 1.00 0.00 C ATOM 1968 O VAL A 118 -21.103 12.508 3.881 1.00 0.00 O ATOM 1969 CB VAL A 118 -18.240 14.072 2.977 1.00 0.00 C ATOM 1970 CG1 VAL A 118 -19.210 15.203 2.685 1.00 0.00 C ATOM 1971 CG2 VAL A 118 -16.873 14.609 3.364 1.00 0.00 C ATOM 0 H VAL A 118 -17.036 12.028 3.948 1.00 0.00 H new ATOM 0 HA VAL A 118 -19.165 13.748 4.917 1.00 0.00 H new ATOM 0 HB VAL A 118 -18.122 13.485 2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -18.799 15.842 1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -20.162 14.789 2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -19.366 15.791 3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -16.498 15.255 2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -16.955 15.180 4.289 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -16.184 13.778 3.511 1.00 0.00 H new ATOM 1981 N GLU A 119 -19.619 11.518 2.506 1.00 0.00 N ATOM 1982 CA GLU A 119 -20.617 10.711 1.806 1.00 0.00 C ATOM 1983 C GLU A 119 -21.282 9.671 2.708 1.00 0.00 C ATOM 1984 O GLU A 119 -22.505 9.538 2.706 1.00 0.00 O ATOM 1985 CB GLU A 119 -19.976 10.015 0.604 1.00 0.00 C ATOM 1986 CG GLU A 119 -19.338 10.976 -0.387 1.00 0.00 C ATOM 1987 CD GLU A 119 -20.282 12.081 -0.820 1.00 0.00 C ATOM 1988 OE1 GLU A 119 -21.511 11.860 -0.782 1.00 0.00 O ATOM 1989 OE2 GLU A 119 -19.793 13.166 -1.197 1.00 0.00 O ATOM 0 H GLU A 119 -18.664 11.382 2.175 1.00 0.00 H new ATOM 0 HA GLU A 119 -21.398 11.395 1.474 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -19.218 9.317 0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -20.735 9.426 0.089 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -18.449 11.418 0.063 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -19.008 10.420 -1.265 1.00 0.00 H new ATOM 1996 N GLN A 120 -20.484 8.920 3.462 1.00 0.00 N ATOM 1997 CA GLN A 120 -21.035 7.888 4.338 1.00 0.00 C ATOM 1998 C GLN A 120 -21.175 8.372 5.777 1.00 0.00 C ATOM 1999 O GLN A 120 -21.832 7.724 6.592 1.00 0.00 O ATOM 2000 CB GLN A 120 -20.169 6.627 4.296 1.00 0.00 C ATOM 2001 CG GLN A 120 -20.970 5.347 4.468 1.00 0.00 C ATOM 2002 CD GLN A 120 -20.109 4.101 4.422 1.00 0.00 C ATOM 2003 OE1 GLN A 120 -20.017 3.360 5.400 1.00 0.00 O ATOM 2004 NE2 GLN A 120 -19.478 3.860 3.279 1.00 0.00 N ATOM 0 H GLN A 120 -19.468 9.003 3.486 1.00 0.00 H new ATOM 0 HA GLN A 120 -22.033 7.654 3.966 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -19.637 6.590 3.345 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -19.415 6.685 5.081 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -21.500 5.381 5.420 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -21.726 5.289 3.685 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -19.583 4.502 2.493 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -18.888 3.033 3.187 1.00 0.00 H new ATOM 2013 N ARG A 121 -20.560 9.506 6.091 1.00 0.00 N ATOM 2014 CA ARG A 121 -20.627 10.059 7.438 1.00 0.00 C ATOM 2015 C ARG A 121 -19.994 9.111 8.451 1.00 0.00 C ATOM 2016 O ARG A 121 -20.310 9.160 9.640 1.00 0.00 O ATOM 2017 CB ARG A 121 -22.080 10.346 7.826 1.00 0.00 C ATOM 2018 CG ARG A 121 -22.673 11.551 7.113 1.00 0.00 C ATOM 2019 CD ARG A 121 -23.307 12.525 8.093 1.00 0.00 C ATOM 2020 NE ARG A 121 -22.304 13.248 8.872 1.00 0.00 N ATOM 2021 CZ ARG A 121 -22.550 14.381 9.528 1.00 0.00 C ATOM 2022 NH1 ARG A 121 -23.762 14.921 9.503 1.00 0.00 N ATOM 2023 NH2 ARG A 121 -21.582 14.973 10.213 1.00 0.00 N ATOM 0 H ARG A 121 -20.011 10.059 5.433 1.00 0.00 H new ATOM 0 HA ARG A 121 -20.066 10.994 7.445 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -22.687 9.468 7.604 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -22.135 10.508 8.903 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -21.893 12.060 6.547 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -23.422 11.217 6.395 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -23.925 13.238 7.547 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -23.968 11.981 8.768 1.00 0.00 H new ATOM 0 HE ARG A 121 -21.361 12.863 8.916 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -24.511 14.468 8.980 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -23.944 15.789 10.007 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -20.649 14.561 10.238 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -21.770 15.841 10.715 1.00 0.00 H new ATOM 2037 N MET A 122 -19.096 8.251 7.978 1.00 0.00 N ATOM 2038 CA MET A 122 -18.423 7.302 8.853 1.00 0.00 C ATOM 2039 C MET A 122 -17.283 7.985 9.608 1.00 0.00 C ATOM 2040 O MET A 122 -16.437 8.642 9.002 1.00 0.00 O ATOM 2041 CB MET A 122 -17.896 6.104 8.049 1.00 0.00 C ATOM 2042 CG MET A 122 -16.678 6.410 7.183 1.00 0.00 C ATOM 2043 SD MET A 122 -15.251 5.386 7.605 1.00 0.00 S ATOM 2044 CE MET A 122 -14.069 5.895 6.357 1.00 0.00 C ATOM 0 H MET A 122 -18.820 8.193 6.998 1.00 0.00 H new ATOM 0 HA MET A 122 -19.146 6.934 9.581 1.00 0.00 H new ATOM 0 HB2 MET A 122 -17.641 5.302 8.741 1.00 0.00 H new ATOM 0 HB3 MET A 122 -18.696 5.731 7.410 1.00 0.00 H new ATOM 0 HG2 MET A 122 -16.934 6.256 6.135 1.00 0.00 H new ATOM 0 HG3 MET A 122 -16.412 7.461 7.295 1.00 0.00 H new ATOM 0 HE1 MET A 122 -13.070 5.921 6.791 1.00 0.00 H new ATOM 0 HE2 MET A 122 -14.086 5.186 5.529 1.00 0.00 H new ATOM 0 HE3 MET A 122 -14.331 6.888 5.991 1.00 0.00 H new ATOM 2054 N PRO A 123 -17.245 7.858 10.947 1.00 0.00 N ATOM 2055 CA PRO A 123 -16.198 8.484 11.758 1.00 0.00 C ATOM 2056 C PRO A 123 -14.828 7.882 11.486 1.00 0.00 C ATOM 2057 O PRO A 123 -14.643 6.666 11.563 1.00 0.00 O ATOM 2058 CB PRO A 123 -16.628 8.205 13.206 1.00 0.00 C ATOM 2059 CG PRO A 123 -18.050 7.759 13.123 1.00 0.00 C ATOM 2060 CD PRO A 123 -18.207 7.116 11.775 1.00 0.00 C ATOM 0 HA PRO A 123 -16.099 9.546 11.536 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -16.002 7.437 13.660 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -16.533 9.099 13.822 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -18.284 7.054 13.921 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -18.730 8.603 13.234 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -17.977 6.051 11.806 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -19.225 7.212 11.397 1.00 0.00 H new ATOM 2068 N VAL A 124 -13.870 8.741 11.161 1.00 0.00 N ATOM 2069 CA VAL A 124 -12.518 8.295 10.868 1.00 0.00 C ATOM 2070 C VAL A 124 -11.486 9.120 11.622 1.00 0.00 C ATOM 2071 O VAL A 124 -11.753 10.248 12.034 1.00 0.00 O ATOM 2072 CB VAL A 124 -12.214 8.392 9.365 1.00 0.00 C ATOM 2073 CG1 VAL A 124 -10.916 7.672 9.031 1.00 0.00 C ATOM 2074 CG2 VAL A 124 -13.366 7.829 8.553 1.00 0.00 C ATOM 0 H VAL A 124 -14.006 9.750 11.094 1.00 0.00 H new ATOM 0 HA VAL A 124 -12.457 7.255 11.188 1.00 0.00 H new ATOM 0 HB VAL A 124 -12.094 9.444 9.106 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -10.720 7.753 7.962 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -10.095 8.126 9.586 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -11.002 6.621 9.305 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -13.134 7.906 7.491 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -13.520 6.783 8.816 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -14.273 8.394 8.768 1.00 0.00 H new ATOM 2084 N SER A 125 -10.300 8.550 11.781 1.00 0.00 N ATOM 2085 CA SER A 125 -9.209 9.231 12.464 1.00 0.00 C ATOM 2086 C SER A 125 -8.101 9.541 11.465 1.00 0.00 C ATOM 2087 O SER A 125 -8.145 9.063 10.334 1.00 0.00 O ATOM 2088 CB SER A 125 -8.671 8.359 13.602 1.00 0.00 C ATOM 2089 OG SER A 125 -9.103 8.843 14.862 1.00 0.00 O ATOM 0 H SER A 125 -10.068 7.615 11.445 1.00 0.00 H new ATOM 0 HA SER A 125 -9.577 10.164 12.891 1.00 0.00 H new ATOM 0 HB2 SER A 125 -9.009 7.331 13.468 1.00 0.00 H new ATOM 0 HB3 SER A 125 -7.582 8.343 13.569 1.00 0.00 H new ATOM 0 HG SER A 125 -8.748 8.269 15.572 1.00 0.00 H new ATOM 2095 N PRO A 126 -7.089 10.338 11.857 1.00 0.00 N ATOM 2096 CA PRO A 126 -5.976 10.679 10.965 1.00 0.00 C ATOM 2097 C PRO A 126 -5.357 9.428 10.355 1.00 0.00 C ATOM 2098 O PRO A 126 -4.343 8.925 10.837 1.00 0.00 O ATOM 2099 CB PRO A 126 -4.971 11.396 11.880 1.00 0.00 C ATOM 2100 CG PRO A 126 -5.450 11.154 13.275 1.00 0.00 C ATOM 2101 CD PRO A 126 -6.935 10.955 13.180 1.00 0.00 C ATOM 0 HA PRO A 126 -6.292 11.295 10.123 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -3.964 11.004 11.738 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -4.932 12.463 11.659 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -4.967 10.277 13.706 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -5.211 11.999 13.921 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -7.310 10.310 13.975 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -7.476 11.898 13.253 1.00 0.00 H new ATOM 2109 N ILE A 127 -6.002 8.913 9.312 1.00 0.00 N ATOM 2110 CA ILE A 127 -5.556 7.698 8.643 1.00 0.00 C ATOM 2111 C ILE A 127 -5.790 6.483 9.541 1.00 0.00 C ATOM 2112 O ILE A 127 -6.522 5.564 9.173 1.00 0.00 O ATOM 2113 CB ILE A 127 -4.069 7.774 8.227 1.00 0.00 C ATOM 2114 CG1 ILE A 127 -3.860 8.929 7.244 1.00 0.00 C ATOM 2115 CG2 ILE A 127 -3.621 6.457 7.606 1.00 0.00 C ATOM 2116 CD1 ILE A 127 -2.439 9.049 6.739 1.00 0.00 C ATOM 0 H ILE A 127 -6.844 9.325 8.910 1.00 0.00 H new ATOM 0 HA ILE A 127 -6.145 7.594 7.732 1.00 0.00 H new ATOM 0 HB ILE A 127 -3.464 7.955 9.116 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -4.528 8.796 6.393 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -4.144 9.863 7.729 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -2.572 6.528 7.319 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -3.745 5.652 8.331 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -4.225 6.247 6.723 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -2.368 9.889 6.048 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -1.766 9.214 7.581 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.157 8.131 6.224 1.00 0.00 H new ATOM 2128 N SER A 128 -5.177 6.486 10.723 1.00 0.00 N ATOM 2129 CA SER A 128 -5.331 5.385 11.670 1.00 0.00 C ATOM 2130 C SER A 128 -4.750 4.098 11.101 1.00 0.00 C ATOM 2131 O SER A 128 -5.338 3.024 11.228 1.00 0.00 O ATOM 2132 CB SER A 128 -6.808 5.185 12.019 1.00 0.00 C ATOM 2133 OG SER A 128 -6.977 4.937 13.404 1.00 0.00 O ATOM 0 H SER A 128 -4.569 7.238 11.047 1.00 0.00 H new ATOM 0 HA SER A 128 -4.785 5.639 12.578 1.00 0.00 H new ATOM 0 HB2 SER A 128 -7.375 6.071 11.733 1.00 0.00 H new ATOM 0 HB3 SER A 128 -7.210 4.350 11.445 1.00 0.00 H new ATOM 0 HG SER A 128 -7.929 4.814 13.601 1.00 0.00 H new ATOM 2139 N GLN A 129 -3.590 4.219 10.469 1.00 0.00 N ATOM 2140 CA GLN A 129 -2.915 3.076 9.868 1.00 0.00 C ATOM 2141 C GLN A 129 -1.415 3.336 9.776 1.00 0.00 C ATOM 2142 O GLN A 129 -0.734 2.802 8.901 1.00 0.00 O ATOM 2143 CB GLN A 129 -3.482 2.776 8.470 1.00 0.00 C ATOM 2144 CG GLN A 129 -4.660 3.655 8.068 1.00 0.00 C ATOM 2145 CD GLN A 129 -5.996 2.955 8.217 1.00 0.00 C ATOM 2146 OE1 GLN A 129 -6.167 2.094 9.081 1.00 0.00 O ATOM 2147 NE2 GLN A 129 -6.954 3.322 7.372 1.00 0.00 N ATOM 0 H GLN A 129 -3.094 5.104 10.359 1.00 0.00 H new ATOM 0 HA GLN A 129 -3.088 2.208 10.504 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -2.686 2.897 7.735 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -3.794 1.732 8.434 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -4.658 4.558 8.679 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -4.534 3.971 7.032 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -6.769 4.040 6.671 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -7.875 2.886 7.424 1.00 0.00 H new ATOM 2156 N GLY A 130 -0.906 4.172 10.682 1.00 0.00 N ATOM 2157 CA GLY A 130 0.509 4.499 10.678 1.00 0.00 C ATOM 2158 C GLY A 130 0.975 4.957 9.312 1.00 0.00 C ATOM 2159 O GLY A 130 1.557 4.181 8.561 1.00 0.00 O ATOM 0 H GLY A 130 -1.449 4.627 11.416 1.00 0.00 H new ATOM 0 HA2 GLY A 130 0.703 5.283 11.410 1.00 0.00 H new ATOM 0 HA3 GLY A 130 1.085 3.626 10.985 1.00 0.00 H new ATOM 2163 N ALA A 131 0.705 6.217 8.985 1.00 0.00 N ATOM 2164 CA ALA A 131 1.081 6.776 7.688 1.00 0.00 C ATOM 2165 C ALA A 131 2.577 7.075 7.582 1.00 0.00 C ATOM 2166 O ALA A 131 2.995 7.862 6.733 1.00 0.00 O ATOM 2167 CB ALA A 131 0.276 8.033 7.413 1.00 0.00 C ATOM 0 H ALA A 131 0.226 6.873 9.602 1.00 0.00 H new ATOM 0 HA ALA A 131 0.856 6.019 6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 131 0.562 8.444 6.445 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -0.787 7.790 7.405 1.00 0.00 H new ATOM 0 HB3 ALA A 131 0.474 8.769 8.192 1.00 0.00 H new ATOM 2173 N SER A 132 3.383 6.441 8.427 1.00 0.00 N ATOM 2174 CA SER A 132 4.825 6.648 8.394 1.00 0.00 C ATOM 2175 C SER A 132 5.496 5.649 7.454 1.00 0.00 C ATOM 2176 O SER A 132 6.717 5.498 7.470 1.00 0.00 O ATOM 2177 CB SER A 132 5.411 6.507 9.798 1.00 0.00 C ATOM 2178 OG SER A 132 5.630 7.776 10.391 1.00 0.00 O ATOM 0 H SER A 132 3.064 5.784 9.139 1.00 0.00 H new ATOM 0 HA SER A 132 5.014 7.656 8.024 1.00 0.00 H new ATOM 0 HB2 SER A 132 4.733 5.923 10.421 1.00 0.00 H new ATOM 0 HB3 SER A 132 6.351 5.958 9.749 1.00 0.00 H new ATOM 0 HG SER A 132 5.693 7.676 11.364 1.00 0.00 H new ATOM 2184 N TRP A 133 4.695 4.965 6.639 1.00 0.00 N ATOM 2185 CA TRP A 133 5.216 3.975 5.697 1.00 0.00 C ATOM 2186 C TRP A 133 6.468 4.482 4.992 1.00 0.00 C ATOM 2187 O TRP A 133 7.476 3.784 4.912 1.00 0.00 O ATOM 2188 CB TRP A 133 4.182 3.629 4.625 1.00 0.00 C ATOM 2189 CG TRP A 133 2.770 3.535 5.110 1.00 0.00 C ATOM 2190 CD1 TRP A 133 2.336 3.051 6.308 1.00 0.00 C ATOM 2191 CD2 TRP A 133 1.600 3.919 4.384 1.00 0.00 C ATOM 2192 NE1 TRP A 133 0.963 3.117 6.372 1.00 0.00 N ATOM 2193 CE2 TRP A 133 0.489 3.646 5.202 1.00 0.00 C ATOM 2194 CE3 TRP A 133 1.386 4.472 3.119 1.00 0.00 C ATOM 2195 CZ2 TRP A 133 -0.818 3.905 4.793 1.00 0.00 C ATOM 2196 CZ3 TRP A 133 0.092 4.728 2.715 1.00 0.00 C ATOM 2197 CH2 TRP A 133 -0.995 4.444 3.548 1.00 0.00 C ATOM 0 H TRP A 133 3.682 5.078 6.612 1.00 0.00 H new ATOM 0 HA TRP A 133 5.454 3.089 6.285 1.00 0.00 H new ATOM 0 HB2 TRP A 133 4.230 4.383 3.839 1.00 0.00 H new ATOM 0 HB3 TRP A 133 4.458 2.677 4.171 1.00 0.00 H new ATOM 0 HD1 TRP A 133 2.975 2.672 7.091 1.00 0.00 H new ATOM 0 HE1 TRP A 133 0.391 2.820 7.163 1.00 0.00 H new ATOM 0 HE3 TRP A 133 2.219 4.695 2.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -1.659 3.688 5.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 -0.085 5.155 1.739 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -1.996 4.655 3.201 1.00 0.00 H new ATOM 2208 N ALA A 134 6.377 5.696 4.466 1.00 0.00 N ATOM 2209 CA ALA A 134 7.480 6.304 3.738 1.00 0.00 C ATOM 2210 C ALA A 134 8.740 6.387 4.586 1.00 0.00 C ATOM 2211 O ALA A 134 9.829 6.063 4.120 1.00 0.00 O ATOM 2212 CB ALA A 134 7.075 7.685 3.246 1.00 0.00 C ATOM 0 H ALA A 134 5.544 6.282 4.531 1.00 0.00 H new ATOM 0 HA ALA A 134 7.709 5.669 2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 134 7.905 8.135 2.702 1.00 0.00 H new ATOM 0 HB2 ALA A 134 6.213 7.597 2.585 1.00 0.00 H new ATOM 0 HB3 ALA A 134 6.817 8.314 4.098 1.00 0.00 H new ATOM 2218 N GLN A 135 8.591 6.828 5.830 1.00 0.00 N ATOM 2219 CA GLN A 135 9.733 6.956 6.729 1.00 0.00 C ATOM 2220 C GLN A 135 10.413 5.606 6.958 1.00 0.00 C ATOM 2221 O GLN A 135 11.639 5.498 6.893 1.00 0.00 O ATOM 2222 CB GLN A 135 9.296 7.585 8.062 1.00 0.00 C ATOM 2223 CG GLN A 135 9.053 6.583 9.183 1.00 0.00 C ATOM 2224 CD GLN A 135 8.607 7.249 10.470 1.00 0.00 C ATOM 2225 OE1 GLN A 135 8.821 8.445 10.671 1.00 0.00 O ATOM 2226 NE2 GLN A 135 7.985 6.475 11.352 1.00 0.00 N ATOM 0 H GLN A 135 7.697 7.101 6.238 1.00 0.00 H new ATOM 0 HA GLN A 135 10.463 7.615 6.259 1.00 0.00 H new ATOM 0 HB2 GLN A 135 10.060 8.292 8.383 1.00 0.00 H new ATOM 0 HB3 GLN A 135 8.382 8.156 7.898 1.00 0.00 H new ATOM 0 HG2 GLN A 135 8.295 5.866 8.867 1.00 0.00 H new ATOM 0 HG3 GLN A 135 9.968 6.020 9.367 1.00 0.00 H new ATOM 0 HE21 GLN A 135 7.829 5.489 11.144 1.00 0.00 H new ATOM 0 HE22 GLN A 135 7.664 6.867 12.237 1.00 0.00 H new ATOM 2235 N GLU A 136 9.613 4.580 7.232 1.00 0.00 N ATOM 2236 CA GLU A 136 10.146 3.245 7.476 1.00 0.00 C ATOM 2237 C GLU A 136 10.588 2.576 6.177 1.00 0.00 C ATOM 2238 O GLU A 136 11.565 1.827 6.159 1.00 0.00 O ATOM 2239 CB GLU A 136 9.103 2.380 8.183 1.00 0.00 C ATOM 2240 CG GLU A 136 9.091 2.554 9.693 1.00 0.00 C ATOM 2241 CD GLU A 136 7.918 1.855 10.353 1.00 0.00 C ATOM 2242 OE1 GLU A 136 7.424 0.860 9.783 1.00 0.00 O ATOM 2243 OE2 GLU A 136 7.493 2.304 11.438 1.00 0.00 O ATOM 0 H GLU A 136 8.597 4.647 7.290 1.00 0.00 H new ATOM 0 HA GLU A 136 11.021 3.347 8.117 1.00 0.00 H new ATOM 0 HB2 GLU A 136 8.116 2.622 7.790 1.00 0.00 H new ATOM 0 HB3 GLU A 136 9.292 1.333 7.948 1.00 0.00 H new ATOM 0 HG2 GLU A 136 10.021 2.164 10.107 1.00 0.00 H new ATOM 0 HG3 GLU A 136 9.057 3.617 9.932 1.00 0.00 H new ATOM 2250 N ASP A 137 9.869 2.846 5.090 1.00 0.00 N ATOM 2251 CA ASP A 137 10.198 2.263 3.796 1.00 0.00 C ATOM 2252 C ASP A 137 11.631 2.586 3.397 1.00 0.00 C ATOM 2253 O ASP A 137 12.377 1.706 2.969 1.00 0.00 O ATOM 2254 CB ASP A 137 9.237 2.767 2.719 1.00 0.00 C ATOM 2255 CG ASP A 137 8.290 1.686 2.243 1.00 0.00 C ATOM 2256 OD1 ASP A 137 8.727 0.817 1.460 1.00 0.00 O ATOM 2257 OD2 ASP A 137 7.110 1.709 2.652 1.00 0.00 O ATOM 0 H ASP A 137 9.057 3.463 5.081 1.00 0.00 H new ATOM 0 HA ASP A 137 10.098 1.181 3.886 1.00 0.00 H new ATOM 0 HB2 ASP A 137 8.661 3.604 3.112 1.00 0.00 H new ATOM 0 HB3 ASP A 137 9.810 3.144 1.872 1.00 0.00 H new ATOM 2262 N GLN A 138 12.015 3.852 3.539 1.00 0.00 N ATOM 2263 CA GLN A 138 13.368 4.262 3.184 1.00 0.00 C ATOM 2264 C GLN A 138 14.382 3.560 4.076 1.00 0.00 C ATOM 2265 O GLN A 138 15.369 3.010 3.594 1.00 0.00 O ATOM 2266 CB GLN A 138 13.562 5.780 3.297 1.00 0.00 C ATOM 2267 CG GLN A 138 12.292 6.598 3.132 1.00 0.00 C ATOM 2268 CD GLN A 138 12.545 7.959 2.507 1.00 0.00 C ATOM 2269 OE1 GLN A 138 12.036 8.974 2.984 1.00 0.00 O ATOM 2270 NE2 GLN A 138 13.331 7.990 1.437 1.00 0.00 N ATOM 0 H GLN A 138 11.418 4.600 3.892 1.00 0.00 H new ATOM 0 HA GLN A 138 13.524 3.978 2.143 1.00 0.00 H new ATOM 0 HB2 GLN A 138 13.999 6.005 4.270 1.00 0.00 H new ATOM 0 HB3 GLN A 138 14.283 6.097 2.543 1.00 0.00 H new ATOM 0 HG2 GLN A 138 11.587 6.044 2.512 1.00 0.00 H new ATOM 0 HG3 GLN A 138 11.823 6.732 4.107 1.00 0.00 H new ATOM 0 HE21 GLN A 138 13.733 7.126 1.074 1.00 0.00 H new ATOM 0 HE22 GLN A 138 13.533 8.878 0.978 1.00 0.00 H new ATOM 2279 N GLN A 139 14.127 3.579 5.383 1.00 0.00 N ATOM 2280 CA GLN A 139 15.021 2.936 6.339 1.00 0.00 C ATOM 2281 C GLN A 139 15.359 1.524 5.878 1.00 0.00 C ATOM 2282 O GLN A 139 16.498 1.073 5.998 1.00 0.00 O ATOM 2283 CB GLN A 139 14.376 2.894 7.727 1.00 0.00 C ATOM 2284 CG GLN A 139 14.240 4.263 8.375 1.00 0.00 C ATOM 2285 CD GLN A 139 14.867 4.323 9.754 1.00 0.00 C ATOM 2286 OE1 GLN A 139 14.554 3.515 10.627 1.00 0.00 O ATOM 2287 NE2 GLN A 139 15.760 5.286 9.955 1.00 0.00 N ATOM 0 H GLN A 139 13.313 4.030 5.801 1.00 0.00 H new ATOM 0 HA GLN A 139 15.941 3.517 6.398 1.00 0.00 H new ATOM 0 HB2 GLN A 139 13.389 2.439 7.646 1.00 0.00 H new ATOM 0 HB3 GLN A 139 14.971 2.251 8.376 1.00 0.00 H new ATOM 0 HG2 GLN A 139 14.708 5.011 7.735 1.00 0.00 H new ATOM 0 HG3 GLN A 139 13.184 4.522 8.449 1.00 0.00 H new ATOM 0 HE21 GLN A 139 15.989 5.934 9.202 1.00 0.00 H new ATOM 0 HE22 GLN A 139 16.216 5.377 10.863 1.00 0.00 H new ATOM 2296 N ASP A 140 14.359 0.840 5.333 1.00 0.00 N ATOM 2297 CA ASP A 140 14.543 -0.515 4.832 1.00 0.00 C ATOM 2298 C ASP A 140 15.170 -0.492 3.442 1.00 0.00 C ATOM 2299 O ASP A 140 15.872 -1.422 3.054 1.00 0.00 O ATOM 2300 CB ASP A 140 13.204 -1.255 4.792 1.00 0.00 C ATOM 2301 CG ASP A 140 12.415 -1.098 6.078 1.00 0.00 C ATOM 2302 OD1 ASP A 140 13.003 -0.645 7.084 1.00 0.00 O ATOM 2303 OD2 ASP A 140 11.211 -1.428 6.080 1.00 0.00 O ATOM 0 H ASP A 140 13.412 1.203 5.227 1.00 0.00 H new ATOM 0 HA ASP A 140 15.216 -1.042 5.509 1.00 0.00 H new ATOM 0 HB2 ASP A 140 12.611 -0.881 3.958 1.00 0.00 H new ATOM 0 HB3 ASP A 140 13.383 -2.314 4.606 1.00 0.00 H new ATOM 2308 N ALA A 141 14.914 0.585 2.702 1.00 0.00 N ATOM 2309 CA ALA A 141 15.453 0.746 1.357 1.00 0.00 C ATOM 2310 C ALA A 141 16.928 1.109 1.412 1.00 0.00 C ATOM 2311 O ALA A 141 17.780 0.376 0.911 1.00 0.00 O ATOM 2312 CB ALA A 141 14.677 1.811 0.597 1.00 0.00 C ATOM 0 H ALA A 141 14.333 1.362 3.015 1.00 0.00 H new ATOM 0 HA ALA A 141 15.349 -0.203 0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 141 15.092 1.918 -0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 141 13.630 1.517 0.526 1.00 0.00 H new ATOM 0 HB3 ALA A 141 14.752 2.762 1.125 1.00 0.00 H new ATOM 2318 N ASP A 142 17.227 2.244 2.038 1.00 0.00 N ATOM 2319 CA ASP A 142 18.602 2.700 2.174 1.00 0.00 C ATOM 2320 C ASP A 142 19.456 1.595 2.780 1.00 0.00 C ATOM 2321 O ASP A 142 20.627 1.435 2.433 1.00 0.00 O ATOM 2322 CB ASP A 142 18.666 3.956 3.046 1.00 0.00 C ATOM 2323 CG ASP A 142 19.941 4.748 2.827 1.00 0.00 C ATOM 2324 OD1 ASP A 142 20.576 4.570 1.767 1.00 0.00 O ATOM 2325 OD2 ASP A 142 20.303 5.548 3.716 1.00 0.00 O ATOM 0 H ASP A 142 16.534 2.863 2.458 1.00 0.00 H new ATOM 0 HA ASP A 142 18.989 2.947 1.185 1.00 0.00 H new ATOM 0 HB2 ASP A 142 17.806 4.590 2.829 1.00 0.00 H new ATOM 0 HB3 ASP A 142 18.595 3.670 4.095 1.00 0.00 H new ATOM 2330 N GLU A 143 18.852 0.823 3.679 1.00 0.00 N ATOM 2331 CA GLU A 143 19.544 -0.282 4.323 1.00 0.00 C ATOM 2332 C GLU A 143 19.500 -1.523 3.438 1.00 0.00 C ATOM 2333 O GLU A 143 20.422 -2.336 3.451 1.00 0.00 O ATOM 2334 CB GLU A 143 18.921 -0.588 5.685 1.00 0.00 C ATOM 2335 CG GLU A 143 19.292 0.418 6.762 1.00 0.00 C ATOM 2336 CD GLU A 143 19.258 -0.179 8.154 1.00 0.00 C ATOM 2337 OE1 GLU A 143 18.177 -0.641 8.577 1.00 0.00 O ATOM 2338 OE2 GLU A 143 20.314 -0.186 8.823 1.00 0.00 O ATOM 0 H GLU A 143 17.884 0.945 3.976 1.00 0.00 H new ATOM 0 HA GLU A 143 20.584 0.008 4.474 1.00 0.00 H new ATOM 0 HB2 GLU A 143 17.836 -0.614 5.582 1.00 0.00 H new ATOM 0 HB3 GLU A 143 19.235 -1.582 6.004 1.00 0.00 H new ATOM 0 HG2 GLU A 143 20.290 0.807 6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 143 18.605 1.263 6.716 1.00 0.00 H new ATOM 2345 N ASP A 144 18.424 -1.662 2.663 1.00 0.00 N ATOM 2346 CA ASP A 144 18.278 -2.810 1.769 1.00 0.00 C ATOM 2347 C ASP A 144 19.469 -2.911 0.823 1.00 0.00 C ATOM 2348 O ASP A 144 20.172 -3.920 0.796 1.00 0.00 O ATOM 2349 CB ASP A 144 16.982 -2.702 0.959 1.00 0.00 C ATOM 2350 CG ASP A 144 15.900 -3.631 1.475 1.00 0.00 C ATOM 2351 OD1 ASP A 144 16.212 -4.807 1.757 1.00 0.00 O ATOM 2352 OD2 ASP A 144 14.741 -3.182 1.597 1.00 0.00 O ATOM 0 H ASP A 144 17.648 -1.001 2.636 1.00 0.00 H new ATOM 0 HA ASP A 144 18.238 -3.710 2.382 1.00 0.00 H new ATOM 0 HB2 ASP A 144 16.621 -1.674 0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 144 17.189 -2.934 -0.086 1.00 0.00 H new ATOM 2357 N ARG A 145 19.687 -1.855 0.046 1.00 0.00 N ATOM 2358 CA ARG A 145 20.791 -1.819 -0.904 1.00 0.00 C ATOM 2359 C ARG A 145 22.131 -1.774 -0.175 1.00 0.00 C ATOM 2360 O ARG A 145 23.088 -2.438 -0.570 1.00 0.00 O ATOM 2361 CB ARG A 145 20.658 -0.612 -1.837 1.00 0.00 C ATOM 2362 CG ARG A 145 20.323 0.685 -1.117 1.00 0.00 C ATOM 2363 CD ARG A 145 20.524 1.894 -2.018 1.00 0.00 C ATOM 2364 NE ARG A 145 21.681 2.692 -1.613 1.00 0.00 N ATOM 2365 CZ ARG A 145 22.236 3.631 -2.376 1.00 0.00 C ATOM 2366 NH1 ARG A 145 21.747 3.892 -3.582 1.00 0.00 N ATOM 2367 NH2 ARG A 145 23.284 4.311 -1.932 1.00 0.00 N ATOM 0 H ARG A 145 19.112 -1.012 0.056 1.00 0.00 H new ATOM 0 HA ARG A 145 20.753 -2.730 -1.502 1.00 0.00 H new ATOM 0 HB2 ARG A 145 21.592 -0.482 -2.384 1.00 0.00 H new ATOM 0 HB3 ARG A 145 19.882 -0.818 -2.575 1.00 0.00 H new ATOM 0 HG2 ARG A 145 19.289 0.654 -0.774 1.00 0.00 H new ATOM 0 HG3 ARG A 145 20.950 0.782 -0.231 1.00 0.00 H new ATOM 0 HD2 ARG A 145 20.655 1.561 -3.048 1.00 0.00 H new ATOM 0 HD3 ARG A 145 19.629 2.516 -1.996 1.00 0.00 H new ATOM 0 HE ARG A 145 22.086 2.519 -0.693 1.00 0.00 H new ATOM 0 HH11 ARG A 145 20.941 3.372 -3.929 1.00 0.00 H new ATOM 0 HH12 ARG A 145 22.177 4.613 -4.162 1.00 0.00 H new ATOM 0 HH21 ARG A 145 23.665 4.114 -1.006 1.00 0.00 H new ATOM 0 HH22 ARG A 145 23.710 5.031 -2.516 1.00 0.00 H new