USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 677 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 86 ASN : amide:sc= -2.77 K(o=-8.2,f=-13!) USER MOD Set 1.2: A 90 HIS : no HE2:sc= -5.41 K(o=-8.2,f=-13!) USER MOD Set 2.1: A 19 HIS : no HD1:sc= -9.8! C(o=-11!,f=-11!) USER MOD Set 2.2: A 71 TYR OH : rot 180:sc= -1.63! USER MOD Set 3.1: A 32 THR OG1 : rot -57:sc= 0.624 USER MOD Set 3.2: A 89 GLN :FLIP amide:sc= -5.26! C(o=-5.6!,f=-4.6!) USER MOD Set 4.1: A 10 MET CE :methyl 146:sc= -10.3! (180deg=-11.4!) USER MOD Set 4.2: A 70 MET CE :methyl -163:sc= -7.63! (180deg=-5.86!) USER MOD Set 5.1: A 6 THR OG1 : rot -20:sc= 0.151! USER MOD Set 5.2: A 38 HIS :FLIP no HD1:sc= -0.288 F(o=-1.1,f=-0.14) USER MOD Single : A 1 MET CE :methyl 154:sc= -0.228 (180deg=-0.893) USER MOD Single : A 1 MET N :NH3+ -119:sc= 1.17 (180deg=-0.299) USER MOD Single : A 2 THR OG1 : rot 44:sc= 0.0136 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 179:sc= -1.01 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -2.88 K(o=-2.9,f=-6.9!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -2.72! C(o=-3.3!,f=-2.7!) USER MOD Single : A 33 GLN : amide:sc= -5.01! C(o=-5!,f=-8.4!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -3.17 K(o=-3.2,f=-7.5!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.139 USER MOD Single : A 56 THR OG1 : rot -92:sc= -1.02! USER MOD Single : A 60 ASN : amide:sc= -0.662 K(o=-0.66,f=-4.2!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0357 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0206 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -159:sc= -0.0991 (180deg=-0.574) USER MOD Single : A 84 GLN : amide:sc= -2.21! X(o=-2.2!,f=-1.7) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -111:sc= 0.0798 USER MOD Single : A 102 LYS NZ :NH3+ 150:sc= -1.14 (180deg=-2.4!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.781 -4.571 -8.274 1.00 0.00 N ATOM 2 CA MET A 1 5.883 -4.769 -7.105 1.00 0.00 C ATOM 3 C MET A 1 4.442 -4.402 -7.448 1.00 0.00 C ATOM 4 O MET A 1 3.811 -3.609 -6.750 1.00 0.00 O ATOM 5 CB MET A 1 6.390 -3.901 -5.950 1.00 0.00 C ATOM 6 CG MET A 1 7.853 -4.131 -5.612 1.00 0.00 C ATOM 7 SD MET A 1 8.960 -3.054 -6.544 1.00 0.00 S ATOM 8 CE MET A 1 8.524 -1.455 -5.867 1.00 0.00 C ATOM 0 H1 MET A 1 7.214 -5.479 -8.537 1.00 0.00 H new ATOM 0 H2 MET A 1 6.230 -4.205 -9.077 1.00 0.00 H new ATOM 0 H3 MET A 1 7.527 -3.890 -8.027 1.00 0.00 H new ATOM 0 HA MET A 1 5.893 -5.821 -6.818 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.246 -2.851 -6.205 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.786 -4.100 -5.065 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.005 -3.966 -4.545 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.109 -5.171 -5.814 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.371 -0.776 -5.964 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.670 -1.050 -6.410 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.265 -1.564 -4.814 1.00 0.00 H new ATOM 20 N THR A 2 3.924 -4.985 -8.526 1.00 0.00 N ATOM 21 CA THR A 2 2.556 -4.719 -8.959 1.00 0.00 C ATOM 22 C THR A 2 1.564 -4.993 -7.832 1.00 0.00 C ATOM 23 O THR A 2 1.497 -6.105 -7.309 1.00 0.00 O ATOM 24 CB THR A 2 2.208 -5.576 -10.178 1.00 0.00 C ATOM 25 OG1 THR A 2 2.728 -6.885 -10.034 1.00 0.00 O ATOM 26 CG2 THR A 2 2.738 -5.011 -11.478 1.00 0.00 C ATOM 0 H THR A 2 4.431 -5.645 -9.116 1.00 0.00 H new ATOM 0 HA THR A 2 2.487 -3.666 -9.231 1.00 0.00 H new ATOM 0 HB THR A 2 1.119 -5.586 -10.223 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.554 -7.208 -9.125 1.00 0.00 H new ATOM 0 HG21 THR A 2 2.456 -5.667 -12.302 1.00 0.00 H new ATOM 0 HG22 THR A 2 2.316 -4.020 -11.643 1.00 0.00 H new ATOM 0 HG23 THR A 2 3.824 -4.939 -11.427 1.00 0.00 H new ATOM 31 N LEU A 3 0.800 -3.971 -7.459 1.00 0.00 N ATOM 32 CA LEU A 3 -0.184 -4.103 -6.391 1.00 0.00 C ATOM 33 C LEU A 3 -1.415 -4.862 -6.872 1.00 0.00 C ATOM 34 O LEU A 3 -2.176 -4.371 -7.707 1.00 0.00 O ATOM 35 CB LEU A 3 -0.589 -2.724 -5.866 1.00 0.00 C ATOM 36 CG LEU A 3 -1.693 -2.734 -4.807 1.00 0.00 C ATOM 37 CD1 LEU A 3 -1.606 -1.491 -3.935 1.00 0.00 C ATOM 38 CD2 LEU A 3 -3.062 -2.831 -5.464 1.00 0.00 C ATOM 0 H LEU A 3 0.844 -3.043 -7.880 1.00 0.00 H new ATOM 0 HA LEU A 3 0.273 -4.671 -5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.292 -2.239 -5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.919 -2.114 -6.707 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.554 -3.609 -4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.399 -1.515 -3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.637 -1.464 -3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.719 -0.602 -4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.835 -2.837 -4.695 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.211 -1.975 -6.122 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.122 -3.751 -6.046 1.00 0.00 H new ATOM 44 N ASN A 4 -1.602 -6.062 -6.337 1.00 0.00 N ATOM 45 CA ASN A 4 -2.738 -6.898 -6.707 1.00 0.00 C ATOM 46 C ASN A 4 -3.935 -6.647 -5.794 1.00 0.00 C ATOM 47 O ASN A 4 -3.796 -6.094 -4.699 1.00 0.00 O ATOM 48 CB ASN A 4 -2.349 -8.372 -6.642 1.00 0.00 C ATOM 49 CG ASN A 4 -1.075 -8.671 -7.407 1.00 0.00 C ATOM 50 OD1 ASN A 4 -1.037 -8.574 -8.634 1.00 0.00 O ATOM 51 ND2 ASN A 4 -0.023 -9.036 -6.686 1.00 0.00 N ATOM 0 H ASN A 4 -0.981 -6.479 -5.644 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.023 -6.638 -7.727 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.220 -8.665 -5.600 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.161 -8.977 -7.045 1.00 0.00 H new ATOM 0 HD21 ASN A 4 0.862 -9.249 -7.147 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -0.099 -9.103 -5.671 1.00 0.00 H new ATOM 56 N ILE A 5 -5.111 -7.066 -6.250 1.00 0.00 N ATOM 57 CA ILE A 5 -6.337 -6.899 -5.480 1.00 0.00 C ATOM 58 C ILE A 5 -7.035 -8.236 -5.258 1.00 0.00 C ATOM 59 O ILE A 5 -6.646 -9.254 -5.829 1.00 0.00 O ATOM 60 CB ILE A 5 -7.329 -5.923 -6.161 1.00 0.00 C ATOM 61 CG1 ILE A 5 -6.930 -5.648 -7.619 1.00 0.00 C ATOM 62 CG2 ILE A 5 -7.413 -4.628 -5.370 1.00 0.00 C ATOM 63 CD1 ILE A 5 -5.710 -4.759 -7.768 1.00 0.00 C ATOM 0 H ILE A 5 -5.240 -7.525 -7.152 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.037 -6.477 -4.521 1.00 0.00 H new ATOM 0 HB ILE A 5 -8.314 -6.391 -6.174 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.738 -6.598 -8.118 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.771 -5.183 -8.133 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.113 -3.949 -5.857 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.759 -4.841 -4.359 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.428 -4.164 -5.326 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.493 -4.613 -8.826 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.904 -3.794 -7.300 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.855 -5.231 -7.284 1.00 0.00 H new ATOM 67 N THR A 6 -8.070 -8.221 -4.426 1.00 0.00 N ATOM 68 CA THR A 6 -8.829 -9.428 -4.125 1.00 0.00 C ATOM 69 C THR A 6 -10.173 -9.076 -3.498 1.00 0.00 C ATOM 70 O THR A 6 -10.641 -9.754 -2.583 1.00 0.00 O ATOM 71 CB THR A 6 -8.035 -10.337 -3.186 1.00 0.00 C ATOM 72 OG1 THR A 6 -6.738 -10.578 -3.700 1.00 0.00 O ATOM 73 CG2 THR A 6 -8.695 -11.678 -2.955 1.00 0.00 C ATOM 0 H THR A 6 -8.403 -7.384 -3.947 1.00 0.00 H new ATOM 0 HA THR A 6 -9.010 -9.959 -5.060 1.00 0.00 H new ATOM 0 HB THR A 6 -7.989 -9.804 -2.236 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.727 -10.388 -4.661 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.081 -12.274 -2.280 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.680 -11.527 -2.512 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.801 -12.200 -3.906 1.00 0.00 H new ATOM 78 N SER A 7 -10.788 -8.008 -3.997 1.00 0.00 N ATOM 79 CA SER A 7 -12.078 -7.560 -3.488 1.00 0.00 C ATOM 80 C SER A 7 -13.107 -8.687 -3.538 1.00 0.00 C ATOM 81 O SER A 7 -13.436 -9.196 -4.609 1.00 0.00 O ATOM 82 CB SER A 7 -12.571 -6.357 -4.290 1.00 0.00 C ATOM 83 OG SER A 7 -11.507 -5.467 -4.580 1.00 0.00 O ATOM 0 H SER A 7 -10.413 -7.437 -4.754 1.00 0.00 H new ATOM 0 HA SER A 7 -11.950 -7.264 -2.447 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.028 -6.698 -5.219 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.344 -5.833 -3.728 1.00 0.00 H new ATOM 0 HG SER A 7 -11.845 -4.714 -5.109 1.00 0.00 H new ATOM 89 N LYS A 8 -13.598 -9.081 -2.367 1.00 0.00 N ATOM 90 CA LYS A 8 -14.574 -10.163 -2.265 1.00 0.00 C ATOM 91 C LYS A 8 -15.905 -9.810 -2.930 1.00 0.00 C ATOM 92 O LYS A 8 -16.488 -10.634 -3.635 1.00 0.00 O ATOM 93 CB LYS A 8 -14.800 -10.535 -0.794 1.00 0.00 C ATOM 94 CG LYS A 8 -15.748 -9.601 -0.055 1.00 0.00 C ATOM 95 CD LYS A 8 -15.562 -9.697 1.451 1.00 0.00 C ATOM 96 CE LYS A 8 -16.537 -10.684 2.071 1.00 0.00 C ATOM 97 NZ LYS A 8 -17.057 -10.204 3.382 1.00 0.00 N ATOM 0 H LYS A 8 -13.336 -8.666 -1.473 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.163 -11.020 -2.799 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.194 -11.550 -0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.839 -10.541 -0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.576 -8.575 -0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.778 -9.848 -0.312 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.540 -10.005 1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.704 -8.714 1.900 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.371 -10.848 1.388 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.042 -11.646 2.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -17.718 -10.906 3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.265 -10.072 4.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.552 -9.299 3.249 1.00 0.00 H new ATOM 111 N GLN A 9 -16.392 -8.596 -2.695 1.00 0.00 N ATOM 112 CA GLN A 9 -17.664 -8.167 -3.271 1.00 0.00 C ATOM 113 C GLN A 9 -17.456 -7.157 -4.402 1.00 0.00 C ATOM 114 O GLN A 9 -17.239 -7.547 -5.550 1.00 0.00 O ATOM 115 CB GLN A 9 -18.581 -7.583 -2.187 1.00 0.00 C ATOM 116 CG GLN A 9 -17.837 -6.895 -1.055 1.00 0.00 C ATOM 117 CD GLN A 9 -18.748 -6.038 -0.197 1.00 0.00 C ATOM 118 OE1 GLN A 9 -18.937 -4.852 -0.467 1.00 0.00 O ATOM 119 NE2 GLN A 9 -19.318 -6.637 0.841 1.00 0.00 N ATOM 0 H GLN A 9 -15.930 -7.896 -2.115 1.00 0.00 H new ATOM 0 HA GLN A 9 -18.146 -9.047 -3.697 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -19.262 -6.868 -2.648 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -19.193 -8.384 -1.772 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -17.357 -7.648 -0.430 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -17.044 -6.273 -1.471 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -19.132 -7.623 1.026 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -19.942 -6.112 1.453 1.00 0.00 H new ATOM 126 N MET A 10 -17.525 -5.862 -4.084 1.00 0.00 N ATOM 127 CA MET A 10 -17.347 -4.822 -5.093 1.00 0.00 C ATOM 128 C MET A 10 -16.082 -5.063 -5.907 1.00 0.00 C ATOM 129 O MET A 10 -14.969 -4.939 -5.397 1.00 0.00 O ATOM 130 CB MET A 10 -17.290 -3.440 -4.443 1.00 0.00 C ATOM 131 CG MET A 10 -16.280 -3.331 -3.313 1.00 0.00 C ATOM 132 SD MET A 10 -15.568 -1.680 -3.176 1.00 0.00 S ATOM 133 CE MET A 10 -14.973 -1.710 -1.487 1.00 0.00 C ATOM 0 H MET A 10 -17.702 -5.513 -3.142 1.00 0.00 H new ATOM 0 HA MET A 10 -18.206 -4.861 -5.763 1.00 0.00 H new ATOM 0 HB2 MET A 10 -17.048 -2.700 -5.206 1.00 0.00 H new ATOM 0 HB3 MET A 10 -18.279 -3.189 -4.059 1.00 0.00 H new ATOM 0 HG2 MET A 10 -16.763 -3.593 -2.372 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.481 -4.055 -3.474 1.00 0.00 H new ATOM 0 HE1 MET A 10 -14.058 -1.122 -1.413 1.00 0.00 H new ATOM 0 HE2 MET A 10 -15.730 -1.287 -0.827 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.768 -2.739 -1.192 1.00 0.00 H new ATOM 143 N ASP A 11 -16.259 -5.413 -7.174 1.00 0.00 N ATOM 144 CA ASP A 11 -15.128 -5.674 -8.050 1.00 0.00 C ATOM 145 C ASP A 11 -14.211 -4.460 -8.127 1.00 0.00 C ATOM 146 O ASP A 11 -14.464 -3.438 -7.489 1.00 0.00 O ATOM 147 CB ASP A 11 -15.610 -6.057 -9.450 1.00 0.00 C ATOM 148 CG ASP A 11 -16.655 -5.098 -9.983 1.00 0.00 C ATOM 149 OD1 ASP A 11 -17.788 -5.100 -9.456 1.00 0.00 O ATOM 150 OD2 ASP A 11 -16.342 -4.343 -10.928 1.00 0.00 O ATOM 0 H ASP A 11 -17.172 -5.522 -7.616 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.564 -6.508 -7.632 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.759 -6.078 -10.131 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -16.024 -7.065 -9.426 1.00 0.00 H new ATOM 155 N ILE A 12 -13.147 -4.574 -8.914 1.00 0.00 N ATOM 156 CA ILE A 12 -12.201 -3.476 -9.070 1.00 0.00 C ATOM 157 C ILE A 12 -12.421 -2.755 -10.393 1.00 0.00 C ATOM 158 O ILE A 12 -12.773 -3.371 -11.399 1.00 0.00 O ATOM 159 CB ILE A 12 -10.723 -3.938 -8.991 1.00 0.00 C ATOM 160 CG1 ILE A 12 -10.617 -5.455 -8.792 1.00 0.00 C ATOM 161 CG2 ILE A 12 -10.001 -3.208 -7.866 1.00 0.00 C ATOM 162 CD1 ILE A 12 -11.158 -5.933 -7.461 1.00 0.00 C ATOM 0 H ILE A 12 -12.919 -5.411 -9.451 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.388 -2.799 -8.237 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.247 -3.692 -9.940 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.157 -5.957 -9.595 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.572 -5.752 -8.877 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.964 -3.542 -7.822 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -10.029 -2.134 -8.052 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.493 -3.424 -6.918 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -11.049 -7.015 -7.392 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.602 -5.460 -6.651 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.212 -5.668 -7.381 1.00 0.00 H new ATOM 166 N THR A 13 -12.209 -1.448 -10.381 1.00 0.00 N ATOM 167 CA THR A 13 -12.378 -0.632 -11.574 1.00 0.00 C ATOM 168 C THR A 13 -11.275 0.423 -11.649 1.00 0.00 C ATOM 169 O THR A 13 -10.437 0.514 -10.752 1.00 0.00 O ATOM 170 CB THR A 13 -13.760 0.034 -11.578 1.00 0.00 C ATOM 171 OG1 THR A 13 -13.699 1.338 -11.024 1.00 0.00 O ATOM 172 CG2 THR A 13 -14.809 -0.741 -10.805 1.00 0.00 C ATOM 0 H THR A 13 -11.918 -0.927 -9.554 1.00 0.00 H new ATOM 0 HA THR A 13 -12.306 -1.276 -12.451 1.00 0.00 H new ATOM 0 HB THR A 13 -14.053 0.064 -12.628 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.592 1.742 -11.039 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.760 -0.211 -10.851 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.925 -1.733 -11.242 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.497 -0.837 -9.765 1.00 0.00 H new ATOM 177 N PRO A 14 -11.256 1.236 -12.717 1.00 0.00 N ATOM 178 CA PRO A 14 -10.243 2.280 -12.892 1.00 0.00 C ATOM 179 C PRO A 14 -10.021 3.100 -11.625 1.00 0.00 C ATOM 180 O PRO A 14 -8.884 3.377 -11.247 1.00 0.00 O ATOM 181 CB PRO A 14 -10.836 3.152 -13.994 1.00 0.00 C ATOM 182 CG PRO A 14 -11.656 2.213 -14.808 1.00 0.00 C ATOM 183 CD PRO A 14 -12.215 1.206 -13.841 1.00 0.00 C ATOM 0 HA PRO A 14 -9.264 1.864 -13.130 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.445 3.956 -13.580 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.055 3.620 -14.594 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -12.456 2.742 -15.326 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.049 1.726 -15.571 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.220 1.475 -13.518 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.279 0.214 -14.287 1.00 0.00 H new ATOM 191 N ALA A 15 -11.113 3.488 -10.973 1.00 0.00 N ATOM 192 CA ALA A 15 -11.031 4.280 -9.750 1.00 0.00 C ATOM 193 C ALA A 15 -10.127 3.612 -8.719 1.00 0.00 C ATOM 194 O ALA A 15 -8.950 3.958 -8.604 1.00 0.00 O ATOM 195 CB ALA A 15 -12.420 4.514 -9.175 1.00 0.00 C ATOM 0 H ALA A 15 -12.063 3.267 -11.270 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.592 5.245 -10.002 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.341 5.106 -8.263 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.030 5.048 -9.903 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -12.885 3.555 -8.946 1.00 0.00 H new ATOM 201 N ILE A 16 -10.669 2.652 -7.972 1.00 0.00 N ATOM 202 CA ILE A 16 -9.885 1.949 -6.965 1.00 0.00 C ATOM 203 C ILE A 16 -8.580 1.448 -7.559 1.00 0.00 C ATOM 204 O ILE A 16 -7.503 1.797 -7.082 1.00 0.00 O ATOM 205 CB ILE A 16 -10.644 0.754 -6.354 1.00 0.00 C ATOM 206 CG1 ILE A 16 -11.533 0.068 -7.403 1.00 0.00 C ATOM 207 CG2 ILE A 16 -11.453 1.207 -5.150 1.00 0.00 C ATOM 208 CD1 ILE A 16 -13.017 0.278 -7.200 1.00 0.00 C ATOM 0 H ILE A 16 -11.640 2.347 -8.045 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.687 2.669 -6.171 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.916 0.016 -6.017 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.258 0.437 -8.391 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.325 -1.002 -7.393 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.985 0.354 -4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.784 1.626 -4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -12.172 1.966 -5.459 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.568 -0.240 -7.984 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -13.311 -0.118 -6.228 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -13.243 1.344 -7.241 1.00 0.00 H new ATOM 212 N ARG A 17 -8.681 0.643 -8.616 1.00 0.00 N ATOM 213 CA ARG A 17 -7.496 0.105 -9.288 1.00 0.00 C ATOM 214 C ARG A 17 -6.404 1.170 -9.367 1.00 0.00 C ATOM 215 O ARG A 17 -5.291 0.982 -8.867 1.00 0.00 O ATOM 216 CB ARG A 17 -7.854 -0.372 -10.696 1.00 0.00 C ATOM 217 CG ARG A 17 -6.772 -1.221 -11.343 1.00 0.00 C ATOM 218 CD ARG A 17 -7.294 -1.949 -12.572 1.00 0.00 C ATOM 219 NE ARG A 17 -6.210 -2.388 -13.449 1.00 0.00 N ATOM 220 CZ ARG A 17 -6.391 -2.806 -14.699 1.00 0.00 C ATOM 221 NH1 ARG A 17 -7.610 -2.848 -15.223 1.00 0.00 N ATOM 222 NH2 ARG A 17 -5.350 -3.185 -15.428 1.00 0.00 N ATOM 0 H ARG A 17 -9.568 0.349 -9.025 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.127 -0.742 -8.710 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.778 -0.948 -10.652 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.049 0.496 -11.326 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.931 -0.587 -11.624 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.397 -1.947 -10.621 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.880 -2.813 -12.260 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.965 -1.292 -13.125 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.259 -2.373 -13.081 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.415 -2.559 -14.667 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.742 -3.169 -16.182 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.411 -3.156 -15.030 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.488 -3.506 -16.386 1.00 0.00 H new ATOM 236 N GLU A 18 -6.749 2.301 -9.978 1.00 0.00 N ATOM 237 CA GLU A 18 -5.822 3.419 -10.109 1.00 0.00 C ATOM 238 C GLU A 18 -5.412 3.928 -8.731 1.00 0.00 C ATOM 239 O GLU A 18 -4.252 4.269 -8.501 1.00 0.00 O ATOM 240 CB GLU A 18 -6.468 4.549 -10.918 1.00 0.00 C ATOM 241 CG GLU A 18 -5.591 5.785 -11.050 1.00 0.00 C ATOM 242 CD GLU A 18 -5.013 5.946 -12.442 1.00 0.00 C ATOM 243 OE1 GLU A 18 -5.671 5.514 -13.412 1.00 0.00 O ATOM 244 OE2 GLU A 18 -3.902 6.504 -12.564 1.00 0.00 O ATOM 0 H GLU A 18 -7.667 2.466 -10.391 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.931 3.075 -10.635 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.710 4.178 -11.914 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.409 4.831 -10.445 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.177 6.670 -10.800 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.777 5.727 -10.327 1.00 0.00 H new ATOM 251 N HIS A 19 -6.374 3.955 -7.813 1.00 0.00 N ATOM 252 CA HIS A 19 -6.126 4.395 -6.450 1.00 0.00 C ATOM 253 C HIS A 19 -5.107 3.471 -5.794 1.00 0.00 C ATOM 254 O HIS A 19 -3.981 3.873 -5.505 1.00 0.00 O ATOM 255 CB HIS A 19 -7.441 4.383 -5.675 1.00 0.00 C ATOM 256 CG HIS A 19 -7.469 5.267 -4.479 1.00 0.00 C ATOM 257 ND1 HIS A 19 -6.807 6.473 -4.396 1.00 0.00 N ATOM 258 CD2 HIS A 19 -8.119 5.111 -3.317 1.00 0.00 C ATOM 259 CE1 HIS A 19 -7.055 7.023 -3.219 1.00 0.00 C ATOM 260 NE2 HIS A 19 -7.851 6.213 -2.543 1.00 0.00 N ATOM 0 H HIS A 19 -7.338 3.675 -7.994 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.724 5.408 -6.451 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -8.246 4.680 -6.348 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.651 3.361 -5.359 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.740 4.272 -3.040 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -6.673 7.971 -2.870 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -8.207 6.379 -1.602 1.00 0.00 H new ATOM 269 N LEU A 20 -5.510 2.220 -5.587 1.00 0.00 N ATOM 270 CA LEU A 20 -4.637 1.208 -4.994 1.00 0.00 C ATOM 271 C LEU A 20 -3.261 1.238 -5.658 1.00 0.00 C ATOM 272 O LEU A 20 -2.235 1.372 -4.984 1.00 0.00 O ATOM 273 CB LEU A 20 -5.264 -0.182 -5.134 1.00 0.00 C ATOM 274 CG LEU A 20 -6.792 -0.222 -4.979 1.00 0.00 C ATOM 275 CD1 LEU A 20 -7.337 -1.637 -5.104 1.00 0.00 C ATOM 276 CD2 LEU A 20 -7.197 0.388 -3.650 1.00 0.00 C ATOM 0 H LEU A 20 -6.442 1.880 -5.823 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.516 1.431 -3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.002 -0.586 -6.112 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.820 -0.841 -4.388 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.224 0.365 -5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.421 -1.621 -4.988 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.083 -2.040 -6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.899 -2.266 -4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.282 0.355 -3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.740 -0.176 -2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.860 1.424 -3.607 1.00 0.00 H new ATOM 282 N GLU A 21 -3.246 1.134 -6.986 1.00 0.00 N ATOM 283 CA GLU A 21 -1.996 1.170 -7.737 1.00 0.00 C ATOM 284 C GLU A 21 -1.234 2.452 -7.426 1.00 0.00 C ATOM 285 O GLU A 21 -0.075 2.416 -7.007 1.00 0.00 O ATOM 286 CB GLU A 21 -2.271 1.072 -9.239 1.00 0.00 C ATOM 287 CG GLU A 21 -2.914 -0.242 -9.655 1.00 0.00 C ATOM 288 CD GLU A 21 -3.577 -0.159 -11.015 1.00 0.00 C ATOM 289 OE1 GLU A 21 -3.922 0.962 -11.442 1.00 0.00 O ATOM 290 OE2 GLU A 21 -3.752 -1.218 -11.655 1.00 0.00 O ATOM 0 H GLU A 21 -4.082 1.025 -7.560 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.387 0.316 -7.439 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.921 1.895 -9.535 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.333 1.196 -9.781 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.156 -1.025 -9.671 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.655 -0.532 -8.910 1.00 0.00 H new ATOM 297 N GLU A 22 -1.900 3.590 -7.618 1.00 0.00 N ATOM 298 CA GLU A 22 -1.293 4.886 -7.339 1.00 0.00 C ATOM 299 C GLU A 22 -0.740 4.910 -5.918 1.00 0.00 C ATOM 300 O GLU A 22 0.343 5.440 -5.668 1.00 0.00 O ATOM 301 CB GLU A 22 -2.316 6.007 -7.525 1.00 0.00 C ATOM 302 CG GLU A 22 -2.559 6.374 -8.979 1.00 0.00 C ATOM 303 CD GLU A 22 -1.425 7.185 -9.574 1.00 0.00 C ATOM 304 OE1 GLU A 22 -1.173 8.303 -9.078 1.00 0.00 O ATOM 305 OE2 GLU A 22 -0.789 6.703 -10.534 1.00 0.00 O ATOM 0 H GLU A 22 -2.858 3.638 -7.965 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.474 5.045 -8.040 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.260 5.704 -7.073 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.975 6.892 -6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.694 5.463 -9.562 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.486 6.942 -9.056 1.00 0.00 H new ATOM 312 N ARG A 23 -1.486 4.309 -4.992 1.00 0.00 N ATOM 313 CA ARG A 23 -1.060 4.242 -3.599 1.00 0.00 C ATOM 314 C ARG A 23 0.246 3.466 -3.505 1.00 0.00 C ATOM 315 O ARG A 23 1.199 3.904 -2.857 1.00 0.00 O ATOM 316 CB ARG A 23 -2.126 3.582 -2.719 1.00 0.00 C ATOM 317 CG ARG A 23 -2.205 4.183 -1.328 1.00 0.00 C ATOM 318 CD ARG A 23 -2.460 5.682 -1.378 1.00 0.00 C ATOM 319 NE ARG A 23 -3.671 6.055 -0.652 1.00 0.00 N ATOM 320 CZ ARG A 23 -3.940 7.294 -0.247 1.00 0.00 C ATOM 321 NH1 ARG A 23 -3.088 8.281 -0.497 1.00 0.00 N ATOM 322 NH2 ARG A 23 -5.064 7.548 0.409 1.00 0.00 N ATOM 0 H ARG A 23 -2.384 3.864 -5.182 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.912 5.259 -3.236 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.098 3.675 -3.204 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.912 2.516 -2.636 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.002 3.697 -0.766 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.275 3.989 -0.794 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.606 6.209 -0.954 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.547 6.001 -2.417 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.350 5.323 -0.443 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.222 8.092 -1.002 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.299 9.229 -0.184 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.723 6.794 0.603 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.270 8.498 0.719 1.00 0.00 H new ATOM 336 N LEU A 24 0.291 2.321 -4.183 1.00 0.00 N ATOM 337 CA LEU A 24 1.494 1.498 -4.197 1.00 0.00 C ATOM 338 C LEU A 24 2.653 2.300 -4.776 1.00 0.00 C ATOM 339 O LEU A 24 3.717 2.417 -4.162 1.00 0.00 O ATOM 340 CB LEU A 24 1.269 0.233 -5.026 1.00 0.00 C ATOM 341 CG LEU A 24 2.507 -0.645 -5.218 1.00 0.00 C ATOM 342 CD1 LEU A 24 2.523 -1.776 -4.200 1.00 0.00 C ATOM 343 CD2 LEU A 24 2.551 -1.201 -6.634 1.00 0.00 C ATOM 0 H LEU A 24 -0.487 1.946 -4.726 1.00 0.00 H new ATOM 0 HA LEU A 24 1.731 1.203 -3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.491 -0.362 -4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.892 0.522 -6.007 1.00 0.00 H new ATOM 0 HG LEU A 24 3.393 -0.030 -5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.411 -2.390 -4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.538 -1.359 -3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.631 -2.390 -4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.438 -1.823 -6.753 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.660 -1.801 -6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.587 -0.378 -7.347 1.00 0.00 H new ATOM 349 N ALA A 25 2.429 2.871 -5.959 1.00 0.00 N ATOM 350 CA ALA A 25 3.443 3.684 -6.615 1.00 0.00 C ATOM 351 C ALA A 25 3.881 4.815 -5.694 1.00 0.00 C ATOM 352 O ALA A 25 5.037 5.236 -5.710 1.00 0.00 O ATOM 353 CB ALA A 25 2.911 4.241 -7.927 1.00 0.00 C ATOM 0 H ALA A 25 1.556 2.784 -6.479 1.00 0.00 H new ATOM 0 HA ALA A 25 4.307 3.057 -6.835 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.682 4.846 -8.404 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.636 3.418 -8.587 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.034 4.858 -7.731 1.00 0.00 H new ATOM 359 N LYS A 26 2.944 5.286 -4.874 1.00 0.00 N ATOM 360 CA LYS A 26 3.228 6.352 -3.925 1.00 0.00 C ATOM 361 C LYS A 26 4.080 5.818 -2.782 1.00 0.00 C ATOM 362 O LYS A 26 4.968 6.508 -2.280 1.00 0.00 O ATOM 363 CB LYS A 26 1.926 6.942 -3.380 1.00 0.00 C ATOM 364 CG LYS A 26 2.134 8.175 -2.513 1.00 0.00 C ATOM 365 CD LYS A 26 1.251 9.330 -2.962 1.00 0.00 C ATOM 366 CE LYS A 26 1.949 10.669 -2.785 1.00 0.00 C ATOM 367 NZ LYS A 26 1.937 11.473 -4.039 1.00 0.00 N ATOM 0 H LYS A 26 1.983 4.944 -4.850 1.00 0.00 H new ATOM 0 HA LYS A 26 3.778 7.140 -4.439 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.276 7.201 -4.216 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.408 6.181 -2.797 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.915 7.931 -1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.180 8.478 -2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.980 9.196 -4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.324 9.324 -2.389 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.460 11.231 -1.989 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.979 10.502 -2.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.423 12.378 -3.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.426 10.949 -4.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.954 11.654 -4.326 1.00 0.00 H new ATOM 381 N LEU A 27 3.813 4.576 -2.382 1.00 0.00 N ATOM 382 CA LEU A 27 4.569 3.945 -1.307 1.00 0.00 C ATOM 383 C LEU A 27 5.909 3.417 -1.822 1.00 0.00 C ATOM 384 O LEU A 27 6.768 3.014 -1.040 1.00 0.00 O ATOM 385 CB LEU A 27 3.759 2.816 -0.658 1.00 0.00 C ATOM 386 CG LEU A 27 2.917 3.240 0.552 1.00 0.00 C ATOM 387 CD1 LEU A 27 2.254 2.031 1.193 1.00 0.00 C ATOM 388 CD2 LEU A 27 3.772 3.986 1.570 1.00 0.00 C ATOM 0 H LEU A 27 3.082 3.991 -2.785 1.00 0.00 H new ATOM 0 HA LEU A 27 4.768 4.701 -0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.098 2.384 -1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.445 2.028 -0.347 1.00 0.00 H new ATOM 0 HG LEU A 27 2.136 3.915 0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.661 2.352 2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.605 1.543 0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.019 1.329 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.155 4.277 2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.578 3.338 1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.195 4.877 1.106 1.00 0.00 H new ATOM 394 N GLY A 28 6.089 3.433 -3.143 1.00 0.00 N ATOM 395 CA GLY A 28 7.338 2.968 -3.725 1.00 0.00 C ATOM 396 C GLY A 28 8.495 3.892 -3.396 1.00 0.00 C ATOM 397 O GLY A 28 9.633 3.449 -3.244 1.00 0.00 O ATOM 0 H GLY A 28 5.396 3.758 -3.817 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.558 1.966 -3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.229 2.894 -4.807 1.00 0.00 H new ATOM 401 N LYS A 29 8.194 5.182 -3.287 1.00 0.00 N ATOM 402 CA LYS A 29 9.205 6.192 -2.972 1.00 0.00 C ATOM 403 C LYS A 29 9.563 6.195 -1.487 1.00 0.00 C ATOM 404 O LYS A 29 10.399 6.982 -1.044 1.00 0.00 O ATOM 405 CB LYS A 29 8.702 7.582 -3.362 1.00 0.00 C ATOM 406 CG LYS A 29 7.600 8.123 -2.454 1.00 0.00 C ATOM 407 CD LYS A 29 7.930 9.515 -1.933 1.00 0.00 C ATOM 408 CE LYS A 29 7.677 9.627 -0.436 1.00 0.00 C ATOM 409 NZ LYS A 29 8.262 10.873 0.134 1.00 0.00 N ATOM 0 H LYS A 29 7.254 5.557 -3.412 1.00 0.00 H new ATOM 0 HA LYS A 29 10.099 5.941 -3.543 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.542 8.277 -3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.330 7.548 -4.386 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.659 8.154 -3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.456 7.445 -1.613 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.974 9.745 -2.144 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.327 10.254 -2.461 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.604 9.610 -0.247 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.103 8.761 0.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.068 10.912 1.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.290 10.878 -0.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.837 11.700 -0.331 1.00 0.00 H new ATOM 423 N TRP A 30 8.906 5.339 -0.718 1.00 0.00 N ATOM 424 CA TRP A 30 9.130 5.270 0.720 1.00 0.00 C ATOM 425 C TRP A 30 10.379 4.473 1.095 1.00 0.00 C ATOM 426 O TRP A 30 10.403 3.810 2.131 1.00 0.00 O ATOM 427 CB TRP A 30 7.902 4.674 1.403 1.00 0.00 C ATOM 428 CG TRP A 30 6.932 5.708 1.877 1.00 0.00 C ATOM 429 CD1 TRP A 30 5.978 6.352 1.141 1.00 0.00 C ATOM 430 CD2 TRP A 30 6.831 6.224 3.201 1.00 0.00 C ATOM 431 NE1 TRP A 30 5.284 7.232 1.937 1.00 0.00 N ATOM 432 CE2 TRP A 30 5.793 7.172 3.209 1.00 0.00 C ATOM 433 CE3 TRP A 30 7.520 5.969 4.381 1.00 0.00 C ATOM 434 CZ2 TRP A 30 5.434 7.867 4.361 1.00 0.00 C ATOM 435 CZ3 TRP A 30 7.166 6.658 5.519 1.00 0.00 C ATOM 436 CH2 TRP A 30 6.130 7.597 5.504 1.00 0.00 C ATOM 0 H TRP A 30 8.210 4.680 -1.067 1.00 0.00 H new ATOM 0 HA TRP A 30 9.296 6.290 1.067 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.397 4.003 0.708 1.00 0.00 H new ATOM 0 HB3 TRP A 30 8.223 4.070 2.252 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.796 6.193 0.088 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.517 7.831 1.632 1.00 0.00 H new ATOM 0 HE3 TRP A 30 8.319 5.243 4.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.634 8.593 4.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.698 6.470 6.440 1.00 0.00 H new ATOM 0 HH2 TRP A 30 5.875 8.119 6.415 1.00 0.00 H new ATOM 447 N GLN A 31 11.428 4.560 0.281 1.00 0.00 N ATOM 448 CA GLN A 31 12.668 3.860 0.584 1.00 0.00 C ATOM 449 C GLN A 31 12.406 2.365 0.830 1.00 0.00 C ATOM 450 O GLN A 31 13.196 1.669 1.463 1.00 0.00 O ATOM 451 CB GLN A 31 13.320 4.564 1.797 1.00 0.00 C ATOM 452 CG GLN A 31 13.901 3.656 2.874 1.00 0.00 C ATOM 453 CD GLN A 31 15.179 2.966 2.435 1.00 0.00 C ATOM 454 OE1 GLN A 31 16.026 3.688 1.709 1.00 0.00 O flip ATOM 455 NE2 GLN A 31 15.403 1.796 2.744 1.00 0.00 N flip ATOM 0 H GLN A 31 11.443 5.102 -0.583 1.00 0.00 H new ATOM 0 HA GLN A 31 13.357 3.902 -0.260 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.116 5.211 1.429 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.573 5.209 2.260 1.00 0.00 H new ATOM 0 HG2 GLN A 31 14.100 4.244 3.770 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.162 2.903 3.145 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.725 1.277 3.303 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.266 1.345 2.441 1.00 0.00 H new ATOM 462 N THR A 32 11.286 1.866 0.310 1.00 0.00 N ATOM 463 CA THR A 32 10.933 0.471 0.478 1.00 0.00 C ATOM 464 C THR A 32 10.699 -0.214 -0.863 1.00 0.00 C ATOM 465 O THR A 32 10.650 0.430 -1.912 1.00 0.00 O ATOM 466 CB THR A 32 9.674 0.354 1.341 1.00 0.00 C ATOM 467 OG1 THR A 32 9.388 1.583 1.983 1.00 0.00 O ATOM 468 CG2 THR A 32 9.775 -0.709 2.412 1.00 0.00 C ATOM 0 H THR A 32 10.613 2.411 -0.229 1.00 0.00 H new ATOM 0 HA THR A 32 11.768 -0.027 0.971 1.00 0.00 H new ATOM 0 HB THR A 32 8.879 0.075 0.649 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.162 1.862 2.516 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.848 -0.737 2.985 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.943 -1.680 1.946 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.607 -0.477 3.077 1.00 0.00 H new ATOM 473 N GLN A 33 10.534 -1.524 -0.800 1.00 0.00 N ATOM 474 CA GLN A 33 10.277 -2.345 -1.969 1.00 0.00 C ATOM 475 C GLN A 33 9.175 -3.330 -1.638 1.00 0.00 C ATOM 476 O GLN A 33 9.416 -4.378 -1.039 1.00 0.00 O ATOM 477 CB GLN A 33 11.531 -3.096 -2.399 1.00 0.00 C ATOM 478 CG GLN A 33 12.363 -3.617 -1.239 1.00 0.00 C ATOM 479 CD GLN A 33 13.328 -2.571 -0.711 1.00 0.00 C ATOM 480 OE1 GLN A 33 13.162 -1.377 -0.960 1.00 0.00 O ATOM 481 NE2 GLN A 33 14.345 -3.011 0.020 1.00 0.00 N ATOM 0 H GLN A 33 10.575 -2.052 0.072 1.00 0.00 H new ATOM 0 HA GLN A 33 9.973 -1.702 -2.795 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.241 -3.935 -3.032 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.148 -2.435 -3.008 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.701 -3.938 -0.434 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.922 -4.496 -1.561 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.447 -4.009 0.204 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.024 -2.351 0.398 1.00 0.00 H new ATOM 488 N LEU A 34 7.959 -2.968 -1.998 1.00 0.00 N ATOM 489 CA LEU A 34 6.806 -3.795 -1.706 1.00 0.00 C ATOM 490 C LEU A 34 6.939 -5.193 -2.291 1.00 0.00 C ATOM 491 O LEU A 34 6.695 -5.413 -3.478 1.00 0.00 O ATOM 492 CB LEU A 34 5.531 -3.123 -2.216 1.00 0.00 C ATOM 493 CG LEU A 34 5.071 -1.883 -1.432 1.00 0.00 C ATOM 494 CD1 LEU A 34 5.618 -1.882 -0.008 1.00 0.00 C ATOM 495 CD2 LEU A 34 5.490 -0.618 -2.160 1.00 0.00 C ATOM 0 H LEU A 34 7.744 -2.103 -2.495 1.00 0.00 H new ATOM 0 HA LEU A 34 6.748 -3.903 -0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.685 -2.836 -3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.726 -3.857 -2.204 1.00 0.00 H new ATOM 0 HG LEU A 34 3.983 -1.915 -1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.271 -0.990 0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.267 -2.770 0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.708 -1.885 -0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.159 0.253 -1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.575 -0.597 -2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.037 -0.602 -3.151 1.00 0.00 H new ATOM 501 N ILE A 35 7.304 -6.138 -1.436 1.00 0.00 N ATOM 502 CA ILE A 35 7.449 -7.527 -1.837 1.00 0.00 C ATOM 503 C ILE A 35 6.075 -8.156 -2.033 1.00 0.00 C ATOM 504 O ILE A 35 5.398 -8.498 -1.064 1.00 0.00 O ATOM 505 CB ILE A 35 8.233 -8.323 -0.782 1.00 0.00 C ATOM 506 CG1 ILE A 35 9.666 -7.789 -0.692 1.00 0.00 C ATOM 507 CG2 ILE A 35 8.223 -9.812 -1.118 1.00 0.00 C ATOM 508 CD1 ILE A 35 10.600 -8.710 0.052 1.00 0.00 C ATOM 0 H ILE A 35 7.506 -5.964 -0.452 1.00 0.00 H new ATOM 0 HA ILE A 35 8.002 -7.555 -2.776 1.00 0.00 H new ATOM 0 HB ILE A 35 7.754 -8.198 0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.051 -7.629 -1.699 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.654 -6.818 -0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.783 -10.360 -0.360 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.195 -10.173 -1.141 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.684 -9.968 -2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 35 11.598 -8.272 0.079 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.238 -8.850 1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.641 -9.674 -0.455 1.00 0.00 H new ATOM 512 N SER A 36 5.660 -8.294 -3.287 1.00 0.00 N ATOM 513 CA SER A 36 4.351 -8.869 -3.591 1.00 0.00 C ATOM 514 C SER A 36 3.265 -8.154 -2.792 1.00 0.00 C ATOM 515 O SER A 36 2.986 -8.503 -1.645 1.00 0.00 O ATOM 516 CB SER A 36 4.350 -10.366 -3.279 1.00 0.00 C ATOM 517 OG SER A 36 3.568 -11.084 -4.218 1.00 0.00 O ATOM 0 H SER A 36 6.204 -8.019 -4.105 1.00 0.00 H new ATOM 0 HA SER A 36 4.143 -8.736 -4.653 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.373 -10.743 -3.289 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.960 -10.531 -2.275 1.00 0.00 H new ATOM 0 HG SER A 36 3.586 -12.039 -3.997 1.00 0.00 H new ATOM 523 N PRO A 37 2.669 -7.113 -3.389 1.00 0.00 N ATOM 524 CA PRO A 37 1.644 -6.297 -2.759 1.00 0.00 C ATOM 525 C PRO A 37 0.217 -6.698 -3.119 1.00 0.00 C ATOM 526 O PRO A 37 -0.091 -6.996 -4.274 1.00 0.00 O ATOM 527 CB PRO A 37 1.952 -4.907 -3.324 1.00 0.00 C ATOM 528 CG PRO A 37 2.732 -5.135 -4.593 1.00 0.00 C ATOM 529 CD PRO A 37 2.971 -6.611 -4.725 1.00 0.00 C ATOM 0 HA PRO A 37 1.675 -6.384 -1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.033 -4.356 -3.525 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.529 -4.316 -2.613 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.179 -4.759 -5.454 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.679 -4.596 -4.562 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.325 -7.059 -5.480 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.999 -6.829 -5.015 1.00 0.00 H new ATOM 537 N HIS A 38 -0.653 -6.669 -2.114 1.00 0.00 N ATOM 538 CA HIS A 38 -2.060 -6.992 -2.295 1.00 0.00 C ATOM 539 C HIS A 38 -2.930 -5.941 -1.637 1.00 0.00 C ATOM 540 O HIS A 38 -2.459 -5.121 -0.850 1.00 0.00 O ATOM 541 CB HIS A 38 -2.400 -8.342 -1.680 1.00 0.00 C ATOM 542 CG HIS A 38 -2.714 -9.405 -2.677 1.00 0.00 C ATOM 543 ND1 HIS A 38 -3.673 -9.475 -3.630 1.00 0.00 N flip ATOM 544 CD2 HIS A 38 -2.020 -10.588 -2.743 1.00 0.00 C flip ATOM 545 CE1 HIS A 38 -3.542 -10.694 -4.246 1.00 0.00 C flip ATOM 546 NE2 HIS A 38 -2.538 -11.347 -3.691 1.00 0.00 N flip ATOM 0 H HIS A 38 -0.402 -6.422 -1.157 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.249 -7.024 -3.368 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.561 -8.671 -1.067 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.254 -8.221 -1.014 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.181 -10.856 -2.117 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.159 -11.060 -5.053 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -2.217 -12.280 -3.951 1.00 0.00 H new ATOM 555 N PHE A 39 -4.209 -6.003 -1.944 1.00 0.00 N ATOM 556 CA PHE A 39 -5.174 -5.089 -1.364 1.00 0.00 C ATOM 557 C PHE A 39 -6.558 -5.722 -1.308 1.00 0.00 C ATOM 558 O PHE A 39 -7.237 -5.843 -2.328 1.00 0.00 O ATOM 559 CB PHE A 39 -5.215 -3.773 -2.131 1.00 0.00 C ATOM 560 CG PHE A 39 -4.643 -2.616 -1.363 1.00 0.00 C ATOM 561 CD1 PHE A 39 -3.274 -2.420 -1.287 1.00 0.00 C ATOM 562 CD2 PHE A 39 -5.481 -1.724 -0.712 1.00 0.00 C ATOM 563 CE1 PHE A 39 -2.751 -1.355 -0.577 1.00 0.00 C ATOM 564 CE2 PHE A 39 -4.965 -0.659 -0.001 1.00 0.00 C ATOM 565 CZ PHE A 39 -3.599 -0.474 0.066 1.00 0.00 C ATOM 0 H PHE A 39 -4.607 -6.680 -2.595 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.856 -4.874 -0.344 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.664 -3.888 -3.064 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.248 -3.548 -2.397 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.608 -3.107 -1.788 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.551 -1.864 -0.762 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.682 -1.212 -0.525 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.629 0.028 0.502 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.193 0.359 0.621 1.00 0.00 H new ATOM 575 N VAL A 40 -6.973 -6.114 -0.111 1.00 0.00 N ATOM 576 CA VAL A 40 -8.270 -6.722 0.086 1.00 0.00 C ATOM 577 C VAL A 40 -9.309 -5.635 0.345 1.00 0.00 C ATOM 578 O VAL A 40 -9.540 -5.227 1.485 1.00 0.00 O ATOM 579 CB VAL A 40 -8.231 -7.713 1.262 1.00 0.00 C ATOM 580 CG1 VAL A 40 -9.583 -8.369 1.451 1.00 0.00 C ATOM 581 CG2 VAL A 40 -7.144 -8.760 1.041 1.00 0.00 C ATOM 0 H VAL A 40 -6.421 -6.018 0.741 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.542 -7.273 -0.814 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.993 -7.162 2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.535 -9.066 2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.332 -7.605 1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.856 -8.908 0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.130 -9.453 1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.349 -9.309 0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.175 -8.267 0.961 1.00 0.00 H new ATOM 585 N LEU A 41 -9.900 -5.152 -0.741 1.00 0.00 N ATOM 586 CA LEU A 41 -10.894 -4.084 -0.682 1.00 0.00 C ATOM 587 C LEU A 41 -12.311 -4.634 -0.574 1.00 0.00 C ATOM 588 O LEU A 41 -12.676 -5.582 -1.268 1.00 0.00 O ATOM 589 CB LEU A 41 -10.770 -3.214 -1.932 1.00 0.00 C ATOM 590 CG LEU A 41 -11.813 -2.108 -2.077 1.00 0.00 C ATOM 591 CD1 LEU A 41 -11.269 -0.786 -1.560 1.00 0.00 C ATOM 592 CD2 LEU A 41 -12.245 -1.982 -3.533 1.00 0.00 C ATOM 0 H LEU A 41 -9.706 -5.487 -1.685 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.703 -3.490 0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.780 -2.757 -1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.828 -3.859 -2.808 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.685 -2.371 -1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.028 -0.011 -1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -11.007 -0.887 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.382 -0.510 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -12.989 -1.191 -3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.379 -1.740 -4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -12.676 -2.926 -3.868 1.00 0.00 H new ATOM 598 N ASN A 42 -13.112 -4.018 0.289 1.00 0.00 N ATOM 599 CA ASN A 42 -14.499 -4.437 0.473 1.00 0.00 C ATOM 600 C ASN A 42 -15.395 -3.278 0.900 1.00 0.00 C ATOM 601 O ASN A 42 -14.928 -2.248 1.387 1.00 0.00 O ATOM 602 CB ASN A 42 -14.607 -5.562 1.499 1.00 0.00 C ATOM 603 CG ASN A 42 -13.706 -6.734 1.174 1.00 0.00 C ATOM 604 OD1 ASN A 42 -13.780 -7.308 0.088 1.00 0.00 O ATOM 605 ND2 ASN A 42 -12.851 -7.097 2.118 1.00 0.00 N ATOM 0 H ASN A 42 -12.827 -3.230 0.870 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.841 -4.800 -0.496 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -14.352 -5.175 2.485 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -15.640 -5.906 1.549 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.219 -7.882 1.959 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.825 -6.592 3.004 1.00 0.00 H new ATOM 610 N LYS A 43 -16.690 -3.474 0.717 1.00 0.00 N ATOM 611 CA LYS A 43 -17.691 -2.476 1.080 1.00 0.00 C ATOM 612 C LYS A 43 -18.777 -3.121 1.924 1.00 0.00 C ATOM 613 O LYS A 43 -18.910 -4.344 1.954 1.00 0.00 O ATOM 614 CB LYS A 43 -18.337 -1.867 -0.171 1.00 0.00 C ATOM 615 CG LYS A 43 -19.795 -1.449 0.041 1.00 0.00 C ATOM 616 CD LYS A 43 -20.361 -0.741 -1.179 1.00 0.00 C ATOM 617 CE LYS A 43 -20.778 -1.729 -2.255 1.00 0.00 C ATOM 618 NZ LYS A 43 -22.200 -2.145 -2.107 1.00 0.00 N ATOM 0 H LYS A 43 -17.080 -4.326 0.314 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.192 -1.688 1.644 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -17.759 -0.997 -0.483 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.289 -2.590 -0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -20.397 -2.330 0.262 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -19.862 -0.791 0.907 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -21.220 -0.138 -0.885 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -19.615 -0.056 -1.582 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -20.632 -1.279 -3.237 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -20.136 -2.609 -2.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -22.445 -2.819 -2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -22.335 -2.597 -1.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -22.815 -1.309 -2.177 1.00 0.00 H new ATOM 632 N VAL A 44 -19.574 -2.296 2.579 1.00 0.00 N ATOM 633 CA VAL A 44 -20.666 -2.793 3.379 1.00 0.00 C ATOM 634 C VAL A 44 -21.753 -1.736 3.564 1.00 0.00 C ATOM 635 O VAL A 44 -21.507 -0.542 3.414 1.00 0.00 O ATOM 636 CB VAL A 44 -20.187 -3.276 4.743 1.00 0.00 C ATOM 637 CG1 VAL A 44 -19.457 -4.606 4.617 1.00 0.00 C ATOM 638 CG2 VAL A 44 -19.308 -2.238 5.426 1.00 0.00 C ATOM 0 H VAL A 44 -19.481 -1.280 2.569 1.00 0.00 H new ATOM 0 HA VAL A 44 -21.089 -3.639 2.837 1.00 0.00 H new ATOM 0 HB VAL A 44 -21.067 -3.424 5.369 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -19.123 -4.933 5.602 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -20.131 -5.352 4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -18.593 -4.486 3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -18.985 -2.616 6.396 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -18.435 -2.036 4.806 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -19.874 -1.317 5.566 1.00 0.00 H new ATOM 642 N PRO A 45 -22.983 -2.162 3.886 1.00 0.00 N ATOM 643 CA PRO A 45 -24.108 -1.242 4.081 1.00 0.00 C ATOM 644 C PRO A 45 -23.764 -0.088 5.018 1.00 0.00 C ATOM 645 O PRO A 45 -24.103 1.064 4.752 1.00 0.00 O ATOM 646 CB PRO A 45 -25.187 -2.131 4.699 1.00 0.00 C ATOM 647 CG PRO A 45 -24.877 -3.501 4.203 1.00 0.00 C ATOM 648 CD PRO A 45 -23.379 -3.570 4.080 1.00 0.00 C ATOM 0 HA PRO A 45 -24.410 -0.765 3.148 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -25.160 -2.088 5.788 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -26.184 -1.815 4.393 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -25.247 -4.259 4.894 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -25.356 -3.685 3.241 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -22.922 -3.996 4.973 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -23.074 -4.192 3.239 1.00 0.00 H new ATOM 656 N ASN A 46 -23.098 -0.412 6.119 1.00 0.00 N ATOM 657 CA ASN A 46 -22.712 0.588 7.110 1.00 0.00 C ATOM 658 C ASN A 46 -21.439 1.342 6.715 1.00 0.00 C ATOM 659 O ASN A 46 -20.895 2.098 7.518 1.00 0.00 O ATOM 660 CB ASN A 46 -22.516 -0.075 8.474 1.00 0.00 C ATOM 661 CG ASN A 46 -23.122 0.737 9.603 1.00 0.00 C ATOM 662 OD1 ASN A 46 -22.423 1.478 10.294 1.00 0.00 O ATOM 663 ND2 ASN A 46 -24.428 0.600 9.795 1.00 0.00 N ATOM 0 H ASN A 46 -22.812 -1.363 6.350 1.00 0.00 H new ATOM 0 HA ASN A 46 -23.521 1.317 7.162 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -22.967 -1.067 8.461 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -21.451 -0.211 8.659 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -24.891 1.121 10.540 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -24.968 -0.026 9.198 1.00 0.00 H new ATOM 668 N GLY A 47 -20.957 1.136 5.488 1.00 0.00 N ATOM 669 CA GLY A 47 -19.753 1.812 5.057 1.00 0.00 C ATOM 670 C GLY A 47 -18.919 0.977 4.115 1.00 0.00 C ATOM 671 O GLY A 47 -19.427 0.157 3.358 1.00 0.00 O ATOM 0 H GLY A 47 -21.378 0.518 4.795 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -20.023 2.747 4.565 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.155 2.072 5.931 1.00 0.00 H new ATOM 675 N PHE A 48 -17.630 1.205 4.171 1.00 0.00 N ATOM 676 CA PHE A 48 -16.675 0.500 3.340 1.00 0.00 C ATOM 677 C PHE A 48 -15.568 -0.091 4.197 1.00 0.00 C ATOM 678 O PHE A 48 -14.980 0.607 5.027 1.00 0.00 O ATOM 679 CB PHE A 48 -16.055 1.456 2.330 1.00 0.00 C ATOM 680 CG PHE A 48 -16.931 1.792 1.161 1.00 0.00 C ATOM 681 CD1 PHE A 48 -18.075 2.555 1.324 1.00 0.00 C ATOM 682 CD2 PHE A 48 -16.596 1.352 -0.104 1.00 0.00 C ATOM 683 CE1 PHE A 48 -18.871 2.869 0.239 1.00 0.00 C ATOM 684 CE2 PHE A 48 -17.386 1.660 -1.193 1.00 0.00 C ATOM 685 CZ PHE A 48 -18.524 2.419 -1.022 1.00 0.00 C ATOM 0 H PHE A 48 -17.207 1.889 4.798 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.200 -0.300 2.817 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -15.787 2.380 2.843 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -15.129 1.018 1.958 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -18.347 2.908 2.308 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.704 0.759 -0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -19.762 3.464 0.375 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -17.113 1.307 -2.177 1.00 0.00 H new ATOM 0 HZ PHE A 48 -19.144 2.662 -1.872 1.00 0.00 H new ATOM 695 N SER A 49 -15.264 -1.364 3.980 1.00 0.00 N ATOM 696 CA SER A 49 -14.201 -2.018 4.718 1.00 0.00 C ATOM 697 C SER A 49 -13.068 -2.355 3.777 1.00 0.00 C ATOM 698 O SER A 49 -13.240 -3.074 2.795 1.00 0.00 O ATOM 699 CB SER A 49 -14.685 -3.278 5.422 1.00 0.00 C ATOM 700 OG SER A 49 -16.047 -3.542 5.137 1.00 0.00 O ATOM 0 H SER A 49 -15.739 -1.959 3.301 1.00 0.00 H new ATOM 0 HA SER A 49 -13.855 -1.328 5.488 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.076 -4.127 5.110 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.552 -3.168 6.498 1.00 0.00 H new ATOM 0 HG SER A 49 -16.326 -4.358 5.602 1.00 0.00 H new ATOM 706 N VAL A 50 -11.914 -1.814 4.082 1.00 0.00 N ATOM 707 CA VAL A 50 -10.736 -2.028 3.260 1.00 0.00 C ATOM 708 C VAL A 50 -9.614 -2.656 4.078 1.00 0.00 C ATOM 709 O VAL A 50 -9.521 -2.433 5.282 1.00 0.00 O ATOM 710 CB VAL A 50 -10.226 -0.706 2.649 1.00 0.00 C ATOM 711 CG1 VAL A 50 -9.597 -0.955 1.289 1.00 0.00 C ATOM 712 CG2 VAL A 50 -11.350 0.318 2.542 1.00 0.00 C ATOM 0 H VAL A 50 -11.760 -1.219 4.896 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.027 -2.702 2.455 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.464 -0.299 3.313 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.243 -0.011 0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.757 -1.642 1.397 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.339 -1.391 0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.962 1.240 2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.143 -0.077 1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.750 0.524 3.535 1.00 0.00 H new ATOM 716 N GLU A 51 -8.762 -3.431 3.419 1.00 0.00 N ATOM 717 CA GLU A 51 -7.640 -4.079 4.090 1.00 0.00 C ATOM 718 C GLU A 51 -6.482 -4.266 3.121 1.00 0.00 C ATOM 719 O GLU A 51 -6.643 -4.844 2.048 1.00 0.00 O ATOM 720 CB GLU A 51 -8.075 -5.423 4.676 1.00 0.00 C ATOM 721 CG GLU A 51 -6.942 -6.222 5.306 1.00 0.00 C ATOM 722 CD GLU A 51 -7.197 -7.716 5.275 1.00 0.00 C ATOM 723 OE1 GLU A 51 -7.381 -8.264 4.168 1.00 0.00 O ATOM 724 OE2 GLU A 51 -7.213 -8.339 6.358 1.00 0.00 O ATOM 0 H GLU A 51 -8.826 -3.627 2.420 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.305 -3.440 4.907 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.844 -5.247 5.429 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.532 -6.021 3.887 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.012 -6.005 4.780 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.806 -5.901 6.339 1.00 0.00 H new ATOM 731 N ALA A 52 -5.317 -3.764 3.505 1.00 0.00 N ATOM 732 CA ALA A 52 -4.131 -3.865 2.665 1.00 0.00 C ATOM 733 C ALA A 52 -3.152 -4.899 3.208 1.00 0.00 C ATOM 734 O ALA A 52 -3.105 -5.151 4.413 1.00 0.00 O ATOM 735 CB ALA A 52 -3.453 -2.509 2.546 1.00 0.00 C ATOM 0 H ALA A 52 -5.167 -3.283 4.392 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.449 -4.192 1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.568 -2.599 1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.145 -1.794 2.101 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.159 -2.161 3.536 1.00 0.00 H new ATOM 741 N SER A 53 -2.371 -5.489 2.309 1.00 0.00 N ATOM 742 CA SER A 53 -1.385 -6.493 2.685 1.00 0.00 C ATOM 743 C SER A 53 -0.217 -6.493 1.705 1.00 0.00 C ATOM 744 O SER A 53 -0.338 -6.972 0.577 1.00 0.00 O ATOM 745 CB SER A 53 -2.025 -7.880 2.735 1.00 0.00 C ATOM 746 OG SER A 53 -3.249 -7.853 3.448 1.00 0.00 O ATOM 0 H SER A 53 -2.403 -5.287 1.310 1.00 0.00 H new ATOM 0 HA SER A 53 -1.008 -6.244 3.677 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.199 -8.240 1.721 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.340 -8.583 3.209 1.00 0.00 H new ATOM 0 HG SER A 53 -3.638 -8.752 3.464 1.00 0.00 H new ATOM 752 N ILE A 54 0.913 -5.952 2.144 1.00 0.00 N ATOM 753 CA ILE A 54 2.109 -5.884 1.312 1.00 0.00 C ATOM 754 C ILE A 54 3.298 -6.527 2.022 1.00 0.00 C ATOM 755 O ILE A 54 3.188 -6.948 3.172 1.00 0.00 O ATOM 756 CB ILE A 54 2.466 -4.423 0.951 1.00 0.00 C ATOM 757 CG1 ILE A 54 1.194 -3.587 0.756 1.00 0.00 C ATOM 758 CG2 ILE A 54 3.327 -4.385 -0.301 1.00 0.00 C ATOM 759 CD1 ILE A 54 1.460 -2.161 0.317 1.00 0.00 C ATOM 0 H ILE A 54 1.027 -5.552 3.076 1.00 0.00 H new ATOM 0 HA ILE A 54 1.892 -6.430 0.394 1.00 0.00 H new ATOM 0 HB ILE A 54 3.033 -3.992 1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.561 -4.074 0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.634 -3.571 1.691 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.571 -3.351 -0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.247 -4.943 -0.127 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.782 -4.834 -1.131 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.513 -1.634 0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.066 -1.656 1.069 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.992 -2.166 -0.634 1.00 0.00 H new ATOM 763 N GLY A 55 4.433 -6.598 1.335 1.00 0.00 N ATOM 764 CA GLY A 55 5.618 -7.177 1.919 1.00 0.00 C ATOM 765 C GLY A 55 6.786 -6.226 1.875 1.00 0.00 C ATOM 766 O GLY A 55 6.879 -5.376 0.990 1.00 0.00 O ATOM 0 H GLY A 55 4.549 -6.262 0.379 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.415 -7.455 2.953 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.875 -8.093 1.387 1.00 0.00 H new ATOM 770 N THR A 56 7.673 -6.373 2.833 1.00 0.00 N ATOM 771 CA THR A 56 8.856 -5.527 2.919 1.00 0.00 C ATOM 772 C THR A 56 10.005 -6.273 3.581 1.00 0.00 C ATOM 773 O THR A 56 9.789 -7.024 4.533 1.00 0.00 O ATOM 774 CB THR A 56 8.568 -4.245 3.711 1.00 0.00 C ATOM 775 OG1 THR A 56 9.108 -4.331 5.026 1.00 0.00 O ATOM 776 CG2 THR A 56 7.094 -3.922 3.825 1.00 0.00 C ATOM 0 H THR A 56 7.602 -7.073 3.571 1.00 0.00 H new ATOM 0 HA THR A 56 9.135 -5.258 1.900 1.00 0.00 H new ATOM 0 HB THR A 56 9.045 -3.445 3.145 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.428 -4.686 5.636 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.966 -3.003 4.397 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.672 -3.790 2.829 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.581 -4.739 4.331 1.00 0.00 H new ATOM 781 N PRO A 57 11.253 -6.061 3.125 1.00 0.00 N ATOM 782 CA PRO A 57 12.405 -6.714 3.739 1.00 0.00 C ATOM 783 C PRO A 57 12.493 -6.398 5.231 1.00 0.00 C ATOM 784 O PRO A 57 13.238 -7.044 5.968 1.00 0.00 O ATOM 785 CB PRO A 57 13.614 -6.123 3.010 1.00 0.00 C ATOM 786 CG PRO A 57 13.080 -5.507 1.764 1.00 0.00 C ATOM 787 CD PRO A 57 11.638 -5.161 2.019 1.00 0.00 C ATOM 0 HA PRO A 57 12.344 -7.799 3.656 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.117 -5.380 3.628 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.347 -6.896 2.780 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.649 -4.615 1.502 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.167 -6.198 0.926 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.520 -4.113 2.296 1.00 0.00 H new ATOM 0 HD3 PRO A 57 11.024 -5.328 1.134 1.00 0.00 H new ATOM 795 N LEU A 58 11.736 -5.388 5.666 1.00 0.00 N ATOM 796 CA LEU A 58 11.743 -4.978 7.064 1.00 0.00 C ATOM 797 C LEU A 58 10.515 -5.505 7.809 1.00 0.00 C ATOM 798 O LEU A 58 10.431 -5.401 9.033 1.00 0.00 O ATOM 799 CB LEU A 58 11.813 -3.452 7.156 1.00 0.00 C ATOM 800 CG LEU A 58 13.165 -2.842 6.761 1.00 0.00 C ATOM 801 CD1 LEU A 58 13.096 -2.213 5.373 1.00 0.00 C ATOM 802 CD2 LEU A 58 13.607 -1.813 7.790 1.00 0.00 C ATOM 0 H LEU A 58 11.114 -4.843 5.069 1.00 0.00 H new ATOM 0 HA LEU A 58 12.624 -5.407 7.541 1.00 0.00 H new ATOM 0 HB2 LEU A 58 11.039 -3.028 6.516 1.00 0.00 H new ATOM 0 HB3 LEU A 58 11.581 -3.153 8.178 1.00 0.00 H new ATOM 0 HG LEU A 58 13.902 -3.644 6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 58 14.067 -1.788 5.117 1.00 0.00 H new ATOM 0 HD12 LEU A 58 12.829 -2.975 4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.342 -1.425 5.367 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.567 -1.391 7.493 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.864 -1.017 7.851 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.706 -2.292 8.764 1.00 0.00 H new ATOM 808 N GLY A 59 9.570 -6.079 7.067 1.00 0.00 N ATOM 809 CA GLY A 59 8.369 -6.621 7.678 1.00 0.00 C ATOM 810 C GLY A 59 7.139 -6.441 6.813 1.00 0.00 C ATOM 811 O GLY A 59 6.881 -5.351 6.304 1.00 0.00 O ATOM 0 H GLY A 59 9.616 -6.178 6.053 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.515 -7.683 7.877 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.205 -6.136 8.640 1.00 0.00 H new ATOM 815 N ASN A 60 6.381 -7.521 6.645 1.00 0.00 N ATOM 816 CA ASN A 60 5.169 -7.496 5.834 1.00 0.00 C ATOM 817 C ASN A 60 4.217 -6.393 6.286 1.00 0.00 C ATOM 818 O ASN A 60 4.016 -6.184 7.483 1.00 0.00 O ATOM 819 CB ASN A 60 4.455 -8.844 5.913 1.00 0.00 C ATOM 820 CG ASN A 60 5.394 -10.017 5.711 1.00 0.00 C ATOM 821 OD1 ASN A 60 6.590 -9.836 5.480 1.00 0.00 O ATOM 822 ND2 ASN A 60 4.855 -11.229 5.796 1.00 0.00 N ATOM 0 H ASN A 60 6.587 -8.429 7.062 1.00 0.00 H new ATOM 0 HA ASN A 60 5.466 -7.295 4.805 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.969 -8.936 6.884 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.669 -8.879 5.158 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.438 -12.056 5.668 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.859 -11.332 5.989 1.00 0.00 H new ATOM 827 N LEU A 61 3.622 -5.702 5.320 1.00 0.00 N ATOM 828 CA LEU A 61 2.676 -4.634 5.619 1.00 0.00 C ATOM 829 C LEU A 61 1.251 -5.162 5.591 1.00 0.00 C ATOM 830 O LEU A 61 0.894 -5.966 4.732 1.00 0.00 O ATOM 831 CB LEU A 61 2.795 -3.495 4.606 1.00 0.00 C ATOM 832 CG LEU A 61 4.124 -2.738 4.600 1.00 0.00 C ATOM 833 CD1 LEU A 61 4.600 -2.519 3.171 1.00 0.00 C ATOM 834 CD2 LEU A 61 3.983 -1.403 5.320 1.00 0.00 C ATOM 0 H LEU A 61 3.778 -5.862 4.325 1.00 0.00 H new ATOM 0 HA LEU A 61 2.913 -4.258 6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.628 -3.903 3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.994 -2.781 4.797 1.00 0.00 H new ATOM 0 HG LEU A 61 4.865 -3.338 5.128 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.547 -1.979 3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.738 -3.483 2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.857 -1.938 2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.939 -0.879 5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.229 -0.797 4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.680 -1.577 6.353 1.00 0.00 H new ATOM 840 N LEU A 62 0.435 -4.687 6.521 1.00 0.00 N ATOM 841 CA LEU A 62 -0.958 -5.086 6.594 1.00 0.00 C ATOM 842 C LEU A 62 -1.777 -3.979 7.231 1.00 0.00 C ATOM 843 O LEU A 62 -1.272 -3.210 8.047 1.00 0.00 O ATOM 844 CB LEU A 62 -1.128 -6.378 7.393 1.00 0.00 C ATOM 845 CG LEU A 62 -0.142 -7.497 7.049 1.00 0.00 C ATOM 846 CD1 LEU A 62 -0.158 -8.572 8.125 1.00 0.00 C ATOM 847 CD2 LEU A 62 -0.473 -8.096 5.688 1.00 0.00 C ATOM 0 H LEU A 62 0.719 -4.020 7.239 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.310 -5.267 5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.031 -6.145 8.453 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.141 -6.750 7.239 1.00 0.00 H new ATOM 0 HG LEU A 62 0.861 -7.073 7.004 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.549 -9.359 7.863 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.125 -8.133 9.082 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.160 -8.995 8.202 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.237 -8.890 5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.483 -8.506 5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.410 -7.321 4.924 1.00 0.00 H new ATOM 853 N ALA A 63 -3.039 -3.900 6.855 1.00 0.00 N ATOM 854 CA ALA A 63 -3.924 -2.881 7.394 1.00 0.00 C ATOM 855 C ALA A 63 -5.376 -3.198 7.079 1.00 0.00 C ATOM 856 O ALA A 63 -5.668 -4.013 6.204 1.00 0.00 O ATOM 857 CB ALA A 63 -3.548 -1.511 6.852 1.00 0.00 C ATOM 0 H ALA A 63 -3.476 -4.527 6.180 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.809 -2.871 8.478 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.220 -0.759 7.265 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.522 -1.276 7.136 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.632 -1.514 5.765 1.00 0.00 H new ATOM 863 N SER A 64 -6.281 -2.549 7.799 1.00 0.00 N ATOM 864 CA SER A 64 -7.709 -2.760 7.600 1.00 0.00 C ATOM 865 C SER A 64 -8.514 -1.681 8.318 1.00 0.00 C ATOM 866 O SER A 64 -8.201 -1.314 9.451 1.00 0.00 O ATOM 867 CB SER A 64 -8.117 -4.145 8.109 1.00 0.00 C ATOM 868 OG SER A 64 -7.162 -4.657 9.021 1.00 0.00 O ATOM 0 H SER A 64 -6.052 -1.872 8.526 1.00 0.00 H new ATOM 0 HA SER A 64 -7.920 -2.700 6.532 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.091 -4.085 8.594 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.222 -4.829 7.267 1.00 0.00 H new ATOM 0 HG SER A 64 -7.448 -5.541 9.332 1.00 0.00 H new ATOM 874 N ALA A 65 -9.548 -1.172 7.656 1.00 0.00 N ATOM 875 CA ALA A 65 -10.382 -0.133 8.245 1.00 0.00 C ATOM 876 C ALA A 65 -11.789 -0.135 7.655 1.00 0.00 C ATOM 877 O ALA A 65 -11.999 -0.550 6.513 1.00 0.00 O ATOM 878 CB ALA A 65 -9.733 1.229 8.056 1.00 0.00 C ATOM 0 H ALA A 65 -9.826 -1.460 6.718 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.472 -0.344 9.311 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.365 1.998 8.500 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.757 1.237 8.541 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.611 1.429 6.992 1.00 0.00 H new ATOM 884 N THR A 66 -12.745 0.341 8.447 1.00 0.00 N ATOM 885 CA THR A 66 -14.138 0.413 8.023 1.00 0.00 C ATOM 886 C THR A 66 -14.676 1.826 8.219 1.00 0.00 C ATOM 887 O THR A 66 -14.568 2.390 9.307 1.00 0.00 O ATOM 888 CB THR A 66 -14.989 -0.581 8.818 1.00 0.00 C ATOM 889 OG1 THR A 66 -14.487 -1.897 8.677 1.00 0.00 O ATOM 890 CG2 THR A 66 -16.443 -0.592 8.402 1.00 0.00 C ATOM 0 H THR A 66 -12.578 0.685 9.393 1.00 0.00 H new ATOM 0 HA THR A 66 -14.191 0.156 6.965 1.00 0.00 H new ATOM 0 HB THR A 66 -14.930 -0.247 9.854 1.00 0.00 H new ATOM 0 HG1 THR A 66 -15.043 -2.516 9.194 1.00 0.00 H new ATOM 0 HG21 THR A 66 -16.988 -1.318 9.005 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.872 0.399 8.551 1.00 0.00 H new ATOM 0 HG23 THR A 66 -16.518 -0.865 7.349 1.00 0.00 H new ATOM 895 N SER A 67 -15.253 2.402 7.167 1.00 0.00 N ATOM 896 CA SER A 67 -15.791 3.753 7.253 1.00 0.00 C ATOM 897 C SER A 67 -16.815 4.003 6.158 1.00 0.00 C ATOM 898 O SER A 67 -16.847 3.300 5.153 1.00 0.00 O ATOM 899 CB SER A 67 -14.664 4.778 7.143 1.00 0.00 C ATOM 900 OG SER A 67 -14.511 5.505 8.349 1.00 0.00 O ATOM 0 H SER A 67 -15.358 1.958 6.255 1.00 0.00 H new ATOM 0 HA SER A 67 -16.283 3.857 8.220 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.730 4.271 6.901 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.874 5.467 6.325 1.00 0.00 H new ATOM 0 HG SER A 67 -13.782 6.152 8.250 1.00 0.00 H new ATOM 906 N ASP A 68 -17.643 5.021 6.353 1.00 0.00 N ATOM 907 CA ASP A 68 -18.661 5.369 5.375 1.00 0.00 C ATOM 908 C ASP A 68 -18.067 6.169 4.216 1.00 0.00 C ATOM 909 O ASP A 68 -18.802 6.747 3.415 1.00 0.00 O ATOM 910 CB ASP A 68 -19.776 6.173 6.043 1.00 0.00 C ATOM 911 CG ASP A 68 -19.245 7.341 6.853 1.00 0.00 C ATOM 912 OD1 ASP A 68 -19.079 8.437 6.275 1.00 0.00 O ATOM 913 OD2 ASP A 68 -18.996 7.161 8.063 1.00 0.00 O ATOM 0 H ASP A 68 -17.628 5.619 7.179 1.00 0.00 H new ATOM 0 HA ASP A 68 -19.072 4.443 4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -20.459 6.545 5.279 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -20.353 5.516 6.694 1.00 0.00 H new ATOM 918 N ASP A 69 -16.737 6.205 4.125 1.00 0.00 N ATOM 919 CA ASP A 69 -16.075 6.944 3.058 1.00 0.00 C ATOM 920 C ASP A 69 -15.032 6.083 2.346 1.00 0.00 C ATOM 921 O ASP A 69 -13.960 5.805 2.882 1.00 0.00 O ATOM 922 CB ASP A 69 -15.424 8.208 3.615 1.00 0.00 C ATOM 923 CG ASP A 69 -16.380 9.385 3.645 1.00 0.00 C ATOM 924 OD1 ASP A 69 -17.156 9.494 4.618 1.00 0.00 O ATOM 925 OD2 ASP A 69 -16.355 10.196 2.696 1.00 0.00 O ATOM 0 H ASP A 69 -16.105 5.735 4.773 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.833 7.225 2.327 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.061 8.012 4.624 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.556 8.464 3.008 1.00 0.00 H new ATOM 930 N MET A 70 -15.373 5.671 1.134 1.00 0.00 N ATOM 931 CA MET A 70 -14.515 4.840 0.294 1.00 0.00 C ATOM 932 C MET A 70 -13.034 5.229 0.372 1.00 0.00 C ATOM 933 O MET A 70 -12.206 4.495 0.928 1.00 0.00 O ATOM 934 CB MET A 70 -15.005 4.965 -1.155 1.00 0.00 C ATOM 935 CG MET A 70 -14.115 4.298 -2.189 1.00 0.00 C ATOM 936 SD MET A 70 -14.712 2.669 -2.665 1.00 0.00 S ATOM 937 CE MET A 70 -13.400 1.659 -1.999 1.00 0.00 C ATOM 0 H MET A 70 -16.265 5.906 0.698 1.00 0.00 H new ATOM 0 HA MET A 70 -14.582 3.814 0.655 1.00 0.00 H new ATOM 0 HB2 MET A 70 -16.004 4.534 -1.224 1.00 0.00 H new ATOM 0 HB3 MET A 70 -15.096 6.023 -1.403 1.00 0.00 H new ATOM 0 HG2 MET A 70 -14.054 4.932 -3.074 1.00 0.00 H new ATOM 0 HG3 MET A 70 -13.104 4.209 -1.790 1.00 0.00 H new ATOM 0 HE1 MET A 70 -13.439 0.668 -2.450 1.00 0.00 H new ATOM 0 HE2 MET A 70 -12.438 2.121 -2.220 1.00 0.00 H new ATOM 0 HE3 MET A 70 -13.521 1.571 -0.919 1.00 0.00 H new ATOM 947 N TYR A 71 -12.704 6.370 -0.219 1.00 0.00 N ATOM 948 CA TYR A 71 -11.324 6.829 -0.258 1.00 0.00 C ATOM 949 C TYR A 71 -10.810 7.243 1.105 1.00 0.00 C ATOM 950 O TYR A 71 -9.604 7.275 1.317 1.00 0.00 O ATOM 951 CB TYR A 71 -11.155 7.933 -1.298 1.00 0.00 C ATOM 952 CG TYR A 71 -10.872 7.364 -2.675 1.00 0.00 C ATOM 953 CD1 TYR A 71 -11.192 6.041 -2.966 1.00 0.00 C ATOM 954 CD2 TYR A 71 -10.279 8.127 -3.671 1.00 0.00 C ATOM 955 CE1 TYR A 71 -10.937 5.494 -4.201 1.00 0.00 C ATOM 956 CE2 TYR A 71 -10.020 7.587 -4.918 1.00 0.00 C ATOM 957 CZ TYR A 71 -10.351 6.270 -5.178 1.00 0.00 C ATOM 958 OH TYR A 71 -10.097 5.733 -6.419 1.00 0.00 O ATOM 0 H TYR A 71 -13.371 6.992 -0.676 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.706 5.984 -0.562 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -12.059 8.541 -1.334 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.339 8.592 -1.001 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.652 5.430 -2.203 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.016 9.155 -3.470 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.194 4.465 -4.404 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.561 8.192 -5.686 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.682 6.412 -6.991 1.00 0.00 H new ATOM 968 N LYS A 72 -11.714 7.501 2.045 1.00 0.00 N ATOM 969 CA LYS A 72 -11.298 7.840 3.397 1.00 0.00 C ATOM 970 C LYS A 72 -10.878 6.557 4.099 1.00 0.00 C ATOM 971 O LYS A 72 -9.899 6.525 4.840 1.00 0.00 O ATOM 972 CB LYS A 72 -12.412 8.500 4.167 1.00 0.00 C ATOM 973 CG LYS A 72 -11.970 9.108 5.488 1.00 0.00 C ATOM 974 CD LYS A 72 -13.158 9.593 6.305 1.00 0.00 C ATOM 975 CE LYS A 72 -12.945 11.010 6.814 1.00 0.00 C ATOM 976 NZ LYS A 72 -14.208 11.796 6.816 1.00 0.00 N ATOM 0 H LYS A 72 -12.723 7.482 1.897 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.469 8.546 3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.855 9.281 3.549 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.193 7.764 4.360 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.411 8.368 6.061 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.294 9.941 5.298 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.060 9.557 5.694 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.318 8.922 7.149 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.538 10.975 7.825 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.206 11.512 6.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.019 12.756 7.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.584 11.852 5.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.905 11.331 7.432 1.00 0.00 H new ATOM 990 N ALA A 73 -11.613 5.477 3.812 1.00 0.00 N ATOM 991 CA ALA A 73 -11.292 4.172 4.364 1.00 0.00 C ATOM 992 C ALA A 73 -9.931 3.785 3.828 1.00 0.00 C ATOM 993 O ALA A 73 -9.028 3.403 4.573 1.00 0.00 O ATOM 994 CB ALA A 73 -12.345 3.143 3.976 1.00 0.00 C ATOM 0 H ALA A 73 -12.430 5.488 3.202 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.278 4.209 5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.082 2.175 4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.317 3.455 4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.391 3.062 2.890 1.00 0.00 H new ATOM 1000 N ILE A 74 -9.778 3.978 2.519 1.00 0.00 N ATOM 1001 CA ILE A 74 -8.504 3.742 1.865 1.00 0.00 C ATOM 1002 C ILE A 74 -7.510 4.734 2.453 1.00 0.00 C ATOM 1003 O ILE A 74 -6.348 4.414 2.714 1.00 0.00 O ATOM 1004 CB ILE A 74 -8.632 3.930 0.335 1.00 0.00 C ATOM 1005 CG1 ILE A 74 -9.156 2.645 -0.295 1.00 0.00 C ATOM 1006 CG2 ILE A 74 -7.309 4.332 -0.304 1.00 0.00 C ATOM 1007 CD1 ILE A 74 -10.462 2.819 -1.029 1.00 0.00 C ATOM 0 H ILE A 74 -10.521 4.296 1.897 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.168 2.719 2.032 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.336 4.742 0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.408 2.259 -0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.285 1.895 0.485 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.446 4.453 -1.379 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.968 5.274 0.127 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.565 3.558 -0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.773 1.863 -1.451 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -11.224 3.175 -0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -10.334 3.545 -1.832 1.00 0.00 H new ATOM 1011 N ASN A 75 -8.028 5.934 2.704 1.00 0.00 N ATOM 1012 CA ASN A 75 -7.278 7.010 3.313 1.00 0.00 C ATOM 1013 C ASN A 75 -6.726 6.542 4.652 1.00 0.00 C ATOM 1014 O ASN A 75 -5.582 6.824 5.007 1.00 0.00 O ATOM 1015 CB ASN A 75 -8.223 8.202 3.482 1.00 0.00 C ATOM 1016 CG ASN A 75 -7.527 9.523 3.320 1.00 0.00 C ATOM 1017 OD1 ASN A 75 -6.835 10.001 4.220 1.00 0.00 O ATOM 1018 ND2 ASN A 75 -7.714 10.123 2.156 1.00 0.00 N ATOM 0 H ASN A 75 -8.993 6.181 2.484 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.433 7.308 2.692 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.028 8.128 2.751 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.684 8.158 4.469 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.275 11.025 1.971 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.297 9.684 1.444 1.00 0.00 H new ATOM 1023 N GLU A 76 -7.555 5.796 5.373 1.00 0.00 N ATOM 1024 CA GLU A 76 -7.177 5.241 6.665 1.00 0.00 C ATOM 1025 C GLU A 76 -6.149 4.122 6.477 1.00 0.00 C ATOM 1026 O GLU A 76 -5.061 4.153 7.063 1.00 0.00 O ATOM 1027 CB GLU A 76 -8.417 4.708 7.386 1.00 0.00 C ATOM 1028 CG GLU A 76 -8.660 5.356 8.738 1.00 0.00 C ATOM 1029 CD GLU A 76 -9.072 4.355 9.800 1.00 0.00 C ATOM 1030 OE1 GLU A 76 -10.208 3.842 9.724 1.00 0.00 O ATOM 1031 OE2 GLU A 76 -8.257 4.083 10.706 1.00 0.00 O ATOM 0 H GLU A 76 -8.503 5.560 5.080 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.728 6.027 7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.291 4.867 6.754 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.313 3.631 7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.753 5.868 9.059 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.436 6.115 8.639 1.00 0.00 H new ATOM 1038 N VAL A 77 -6.496 3.136 5.642 1.00 0.00 N ATOM 1039 CA VAL A 77 -5.600 2.019 5.364 1.00 0.00 C ATOM 1040 C VAL A 77 -4.209 2.523 5.037 1.00 0.00 C ATOM 1041 O VAL A 77 -3.225 2.126 5.662 1.00 0.00 O ATOM 1042 CB VAL A 77 -6.088 1.170 4.181 1.00 0.00 C ATOM 1043 CG1 VAL A 77 -5.285 -0.119 4.081 1.00 0.00 C ATOM 1044 CG2 VAL A 77 -7.568 0.878 4.316 1.00 0.00 C ATOM 0 H VAL A 77 -7.389 3.093 5.151 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.584 1.403 6.263 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.935 1.734 3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.645 -0.707 3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.232 0.119 3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.403 -0.693 5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.899 0.276 3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.748 0.333 5.242 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.124 1.816 4.333 1.00 0.00 H new ATOM 1048 N GLU A 78 -4.137 3.412 4.051 1.00 0.00 N ATOM 1049 CA GLU A 78 -2.864 3.978 3.647 1.00 0.00 C ATOM 1050 C GLU A 78 -2.153 4.564 4.857 1.00 0.00 C ATOM 1051 O GLU A 78 -0.927 4.523 4.954 1.00 0.00 O ATOM 1052 CB GLU A 78 -3.063 5.053 2.576 1.00 0.00 C ATOM 1053 CG GLU A 78 -1.776 5.462 1.878 1.00 0.00 C ATOM 1054 CD GLU A 78 -0.847 6.253 2.777 1.00 0.00 C ATOM 1055 OE1 GLU A 78 -1.333 7.166 3.477 1.00 0.00 O ATOM 1056 OE2 GLU A 78 0.367 5.958 2.783 1.00 0.00 O ATOM 0 H GLU A 78 -4.941 3.751 3.523 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.250 3.185 3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.769 4.686 1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.513 5.933 3.036 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.260 4.569 1.525 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.019 6.059 0.999 1.00 0.00 H new ATOM 1063 N GLU A 79 -2.940 5.087 5.791 1.00 0.00 N ATOM 1064 CA GLU A 79 -2.390 5.655 7.009 1.00 0.00 C ATOM 1065 C GLU A 79 -1.748 4.555 7.834 1.00 0.00 C ATOM 1066 O GLU A 79 -0.623 4.702 8.314 1.00 0.00 O ATOM 1067 CB GLU A 79 -3.480 6.364 7.816 1.00 0.00 C ATOM 1068 CG GLU A 79 -3.071 7.741 8.311 1.00 0.00 C ATOM 1069 CD GLU A 79 -3.667 8.859 7.477 1.00 0.00 C ATOM 1070 OE1 GLU A 79 -4.800 8.691 6.981 1.00 0.00 O ATOM 1071 OE2 GLU A 79 -3.000 9.905 7.323 1.00 0.00 O ATOM 0 H GLU A 79 -3.957 5.128 5.725 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.633 6.394 6.746 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.373 6.459 7.199 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.748 5.744 8.672 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.385 7.859 9.348 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.984 7.821 8.296 1.00 0.00 H new ATOM 1078 N LYS A 80 -2.452 3.432 7.971 1.00 0.00 N ATOM 1079 CA LYS A 80 -1.913 2.301 8.713 1.00 0.00 C ATOM 1080 C LYS A 80 -0.665 1.786 8.009 1.00 0.00 C ATOM 1081 O LYS A 80 0.411 1.709 8.601 1.00 0.00 O ATOM 1082 CB LYS A 80 -2.948 1.179 8.840 1.00 0.00 C ATOM 1083 CG LYS A 80 -3.991 1.431 9.917 1.00 0.00 C ATOM 1084 CD LYS A 80 -3.491 0.998 11.286 1.00 0.00 C ATOM 1085 CE LYS A 80 -3.440 -0.517 11.407 1.00 0.00 C ATOM 1086 NZ LYS A 80 -4.782 -1.134 11.216 1.00 0.00 N ATOM 0 H LYS A 80 -3.384 3.285 7.583 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.657 2.634 9.719 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.451 1.050 7.882 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.432 0.244 9.057 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.245 2.491 9.939 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.905 0.890 9.674 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.497 1.412 11.459 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.144 1.404 12.058 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.747 -0.917 10.667 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.051 -0.790 12.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.792 -2.083 11.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.505 -0.542 11.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.988 -1.209 10.199 1.00 0.00 H new ATOM 1100 N LEU A 81 -0.820 1.456 6.728 1.00 0.00 N ATOM 1101 CA LEU A 81 0.291 0.964 5.919 1.00 0.00 C ATOM 1102 C LEU A 81 1.491 1.907 6.023 1.00 0.00 C ATOM 1103 O LEU A 81 2.620 1.465 6.250 1.00 0.00 O ATOM 1104 CB LEU A 81 -0.149 0.802 4.452 1.00 0.00 C ATOM 1105 CG LEU A 81 -0.243 -0.640 3.935 1.00 0.00 C ATOM 1106 CD1 LEU A 81 1.091 -1.083 3.357 1.00 0.00 C ATOM 1107 CD2 LEU A 81 -0.697 -1.593 5.034 1.00 0.00 C ATOM 0 H LEU A 81 -1.707 1.521 6.228 1.00 0.00 H new ATOM 0 HA LEU A 81 0.593 -0.012 6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.124 1.275 4.331 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.551 1.349 3.821 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.992 -0.667 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.008 -2.108 2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.365 -0.427 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.857 -1.033 4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.754 -2.606 4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.017 -1.566 5.857 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.679 -1.290 5.396 1.00 0.00 H new ATOM 1113 N GLU A 82 1.244 3.213 5.883 1.00 0.00 N ATOM 1114 CA GLU A 82 2.317 4.195 5.989 1.00 0.00 C ATOM 1115 C GLU A 82 2.912 4.163 7.389 1.00 0.00 C ATOM 1116 O GLU A 82 4.133 4.146 7.560 1.00 0.00 O ATOM 1117 CB GLU A 82 1.796 5.594 5.672 1.00 0.00 C ATOM 1118 CG GLU A 82 2.875 6.554 5.202 1.00 0.00 C ATOM 1119 CD GLU A 82 3.013 7.764 6.106 1.00 0.00 C ATOM 1120 OE1 GLU A 82 3.342 7.582 7.296 1.00 0.00 O ATOM 1121 OE2 GLU A 82 2.793 8.895 5.621 1.00 0.00 O ATOM 0 H GLU A 82 0.321 3.607 5.698 1.00 0.00 H new ATOM 0 HA GLU A 82 3.093 3.944 5.266 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.027 5.520 4.903 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.319 6.005 6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.829 6.029 5.156 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.645 6.886 4.190 1.00 0.00 H new ATOM 1128 N ARG A 83 2.037 4.139 8.391 1.00 0.00 N ATOM 1129 CA ARG A 83 2.469 4.090 9.783 1.00 0.00 C ATOM 1130 C ARG A 83 3.418 2.916 9.996 1.00 0.00 C ATOM 1131 O ARG A 83 4.536 3.083 10.493 1.00 0.00 O ATOM 1132 CB ARG A 83 1.260 3.967 10.715 1.00 0.00 C ATOM 1133 CG ARG A 83 1.067 5.172 11.622 1.00 0.00 C ATOM 1134 CD ARG A 83 -0.200 5.045 12.454 1.00 0.00 C ATOM 1135 NE ARG A 83 0.060 4.439 13.758 1.00 0.00 N ATOM 1136 CZ ARG A 83 0.564 5.102 14.795 1.00 0.00 C ATOM 1137 NH1 ARG A 83 0.868 6.389 14.687 1.00 0.00 N ATOM 1138 NH2 ARG A 83 0.766 4.474 15.947 1.00 0.00 N ATOM 0 H ARG A 83 1.025 4.153 8.264 1.00 0.00 H new ATOM 0 HA ARG A 83 2.994 5.016 10.017 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.361 3.827 10.114 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.375 3.074 11.330 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.928 5.274 12.282 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.018 6.079 11.019 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.642 6.031 12.594 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.930 4.443 11.913 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.158 3.450 13.880 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.716 6.877 13.804 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.254 6.891 15.487 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.535 3.485 16.036 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.152 4.981 16.743 1.00 0.00 H new ATOM 1152 N GLN A 84 2.976 1.726 9.592 1.00 0.00 N ATOM 1153 CA GLN A 84 3.806 0.533 9.722 1.00 0.00 C ATOM 1154 C GLN A 84 5.100 0.743 8.948 1.00 0.00 C ATOM 1155 O GLN A 84 6.188 0.472 9.453 1.00 0.00 O ATOM 1156 CB GLN A 84 3.088 -0.729 9.217 1.00 0.00 C ATOM 1157 CG GLN A 84 1.572 -0.623 9.190 1.00 0.00 C ATOM 1158 CD GLN A 84 0.881 -1.932 9.516 1.00 0.00 C ATOM 1159 OE1 GLN A 84 1.456 -3.009 9.359 1.00 0.00 O ATOM 1160 NE2 GLN A 84 -0.362 -1.842 9.974 1.00 0.00 N ATOM 0 H GLN A 84 2.058 1.564 9.177 1.00 0.00 H new ATOM 0 HA GLN A 84 4.018 0.379 10.780 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.442 -0.955 8.211 1.00 0.00 H new ATOM 0 HB3 GLN A 84 3.370 -1.570 9.851 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.254 0.137 9.903 1.00 0.00 H new ATOM 0 HG3 GLN A 84 1.254 -0.287 8.203 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.799 -0.927 10.088 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.880 -2.688 10.212 1.00 0.00 H new ATOM 1167 N LEU A 85 4.971 1.264 7.726 1.00 0.00 N ATOM 1168 CA LEU A 85 6.130 1.550 6.887 1.00 0.00 C ATOM 1169 C LEU A 85 7.156 2.345 7.687 1.00 0.00 C ATOM 1170 O LEU A 85 8.289 1.897 7.906 1.00 0.00 O ATOM 1171 CB LEU A 85 5.707 2.350 5.653 1.00 0.00 C ATOM 1172 CG LEU A 85 5.565 1.537 4.365 1.00 0.00 C ATOM 1173 CD1 LEU A 85 4.254 1.872 3.668 1.00 0.00 C ATOM 1174 CD2 LEU A 85 6.746 1.793 3.439 1.00 0.00 C ATOM 0 H LEU A 85 4.074 1.495 7.298 1.00 0.00 H new ATOM 0 HA LEU A 85 6.572 0.608 6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.754 2.835 5.864 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.438 3.141 5.485 1.00 0.00 H new ATOM 0 HG LEU A 85 5.557 0.478 4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.168 1.285 2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.420 1.637 4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.234 2.934 3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.628 1.206 2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.787 2.852 3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.670 1.504 3.939 1.00 0.00 H new ATOM 1180 N ASN A 86 6.732 3.521 8.147 1.00 0.00 N ATOM 1181 CA ASN A 86 7.590 4.374 8.952 1.00 0.00 C ATOM 1182 C ASN A 86 8.133 3.576 10.127 1.00 0.00 C ATOM 1183 O ASN A 86 9.275 3.761 10.545 1.00 0.00 O ATOM 1184 CB ASN A 86 6.818 5.603 9.441 1.00 0.00 C ATOM 1185 CG ASN A 86 7.733 6.768 9.766 1.00 0.00 C ATOM 1186 OD1 ASN A 86 8.945 6.695 9.565 1.00 0.00 O ATOM 1187 ND2 ASN A 86 7.155 7.852 10.269 1.00 0.00 N ATOM 0 H ASN A 86 5.801 3.900 7.974 1.00 0.00 H new ATOM 0 HA ASN A 86 8.424 4.724 8.343 1.00 0.00 H new ATOM 0 HB2 ASN A 86 6.103 5.908 8.676 1.00 0.00 H new ATOM 0 HB3 ASN A 86 6.242 5.338 10.328 1.00 0.00 H new ATOM 0 HD21 ASN A 86 7.720 8.668 10.505 1.00 0.00 H new ATOM 0 HD22 ASN A 86 6.146 7.869 10.419 1.00 0.00 H new ATOM 1192 N LYS A 87 7.314 2.654 10.627 1.00 0.00 N ATOM 1193 CA LYS A 87 7.727 1.792 11.724 1.00 0.00 C ATOM 1194 C LYS A 87 8.886 0.919 11.275 1.00 0.00 C ATOM 1195 O LYS A 87 9.885 0.776 11.980 1.00 0.00 O ATOM 1196 CB LYS A 87 6.570 0.903 12.177 1.00 0.00 C ATOM 1197 CG LYS A 87 6.200 1.081 13.642 1.00 0.00 C ATOM 1198 CD LYS A 87 4.747 1.504 13.806 1.00 0.00 C ATOM 1199 CE LYS A 87 4.594 2.567 14.881 1.00 0.00 C ATOM 1200 NZ LYS A 87 3.639 3.635 14.474 1.00 0.00 N ATOM 0 H LYS A 87 6.366 2.487 10.290 1.00 0.00 H new ATOM 0 HA LYS A 87 8.036 2.419 12.561 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.696 1.118 11.562 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.835 -0.140 12.002 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.370 0.147 14.177 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.851 1.830 14.094 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.369 1.887 12.858 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.141 0.635 14.063 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.247 2.103 15.804 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.566 3.011 15.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.563 4.341 15.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.982 4.096 13.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.704 3.215 14.296 1.00 0.00 H new ATOM 1214 N LEU A 88 8.744 0.337 10.085 1.00 0.00 N ATOM 1215 CA LEU A 88 9.781 -0.520 9.535 1.00 0.00 C ATOM 1216 C LEU A 88 11.080 0.254 9.396 1.00 0.00 C ATOM 1217 O LEU A 88 12.106 -0.121 9.964 1.00 0.00 O ATOM 1218 CB LEU A 88 9.371 -1.076 8.165 1.00 0.00 C ATOM 1219 CG LEU A 88 7.931 -1.576 8.052 1.00 0.00 C ATOM 1220 CD1 LEU A 88 7.722 -2.308 6.734 1.00 0.00 C ATOM 1221 CD2 LEU A 88 7.586 -2.481 9.223 1.00 0.00 C ATOM 0 H LEU A 88 7.923 0.445 9.489 1.00 0.00 H new ATOM 0 HA LEU A 88 9.923 -1.355 10.221 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.525 -0.298 7.418 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.041 -1.897 7.912 1.00 0.00 H new ATOM 0 HG LEU A 88 7.266 -0.713 8.077 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.691 -2.657 6.671 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.927 -1.631 5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.398 -3.162 6.681 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.557 -2.827 9.125 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.258 -3.339 9.230 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.695 -1.927 10.155 1.00 0.00 H new ATOM 1227 N GLN A 89 11.026 1.343 8.636 1.00 0.00 N ATOM 1228 CA GLN A 89 12.207 2.177 8.425 1.00 0.00 C ATOM 1229 C GLN A 89 12.700 2.760 9.749 1.00 0.00 C ATOM 1230 O GLN A 89 13.869 3.125 9.879 1.00 0.00 O ATOM 1231 CB GLN A 89 11.907 3.299 7.428 1.00 0.00 C ATOM 1232 CG GLN A 89 11.861 2.826 5.986 1.00 0.00 C ATOM 1233 CD GLN A 89 10.455 2.720 5.449 1.00 0.00 C ATOM 1234 OE1 GLN A 89 10.336 2.206 4.236 1.00 0.00 O flip ATOM 1235 NE2 GLN A 89 9.489 3.095 6.112 1.00 0.00 N flip ATOM 0 H GLN A 89 10.185 1.668 8.159 1.00 0.00 H new ATOM 0 HA GLN A 89 12.995 1.549 8.010 1.00 0.00 H new ATOM 0 HB2 GLN A 89 10.951 3.756 7.684 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.667 4.074 7.525 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.431 3.516 5.364 1.00 0.00 H new ATOM 0 HG3 GLN A 89 12.347 1.853 5.912 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.630 3.485 7.044 1.00 0.00 H new ATOM 0 HE22 GLN A 89 8.547 3.016 5.730 1.00 0.00 H new ATOM 1242 N HIS A 90 11.805 2.834 10.731 1.00 0.00 N ATOM 1243 CA HIS A 90 12.151 3.359 12.048 1.00 0.00 C ATOM 1244 C HIS A 90 12.863 2.301 12.877 1.00 0.00 C ATOM 1245 O HIS A 90 14.034 2.446 13.224 1.00 0.00 O ATOM 1246 CB HIS A 90 10.891 3.807 12.790 1.00 0.00 C ATOM 1247 CG HIS A 90 10.472 5.210 12.476 1.00 0.00 C ATOM 1248 ND1 HIS A 90 11.367 6.218 12.185 1.00 0.00 N ATOM 1249 CD2 HIS A 90 9.241 5.773 12.407 1.00 0.00 C ATOM 1250 CE1 HIS A 90 10.706 7.338 11.953 1.00 0.00 C ATOM 1251 NE2 HIS A 90 9.416 7.094 12.082 1.00 0.00 N ATOM 0 H HIS A 90 10.834 2.536 10.639 1.00 0.00 H new ATOM 0 HA HIS A 90 12.814 4.212 11.905 1.00 0.00 H new ATOM 0 HB2 HIS A 90 10.074 3.129 12.542 1.00 0.00 H new ATOM 0 HB3 HIS A 90 11.062 3.720 13.863 1.00 0.00 H new ATOM 0 HD1 HIS A 90 12.381 6.115 12.154 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.298 5.274 12.576 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.147 8.291 11.701 1.00 0.00 H new ATOM 1260 N LYS A 91 12.126 1.240 13.192 1.00 0.00 N ATOM 1261 CA LYS A 91 12.639 0.130 13.987 1.00 0.00 C ATOM 1262 C LYS A 91 13.497 0.613 15.155 1.00 0.00 C ATOM 1263 O LYS A 91 14.706 0.385 15.190 1.00 0.00 O ATOM 1264 CB LYS A 91 13.434 -0.843 13.109 1.00 0.00 C ATOM 1265 CG LYS A 91 14.644 -0.219 12.430 1.00 0.00 C ATOM 1266 CD LYS A 91 15.733 -1.251 12.181 1.00 0.00 C ATOM 1267 CE LYS A 91 16.590 -0.881 10.980 1.00 0.00 C ATOM 1268 NZ LYS A 91 18.045 -0.974 11.285 1.00 0.00 N ATOM 0 H LYS A 91 11.155 1.126 12.902 1.00 0.00 H new ATOM 0 HA LYS A 91 11.778 -0.393 14.404 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.767 -1.681 13.722 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.772 -1.250 12.345 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.341 0.229 11.483 1.00 0.00 H new ATOM 0 HG3 LYS A 91 15.038 0.585 13.052 1.00 0.00 H new ATOM 0 HD2 LYS A 91 16.363 -1.337 13.066 1.00 0.00 H new ATOM 0 HD3 LYS A 91 15.279 -2.228 12.017 1.00 0.00 H new ATOM 0 HE2 LYS A 91 16.351 -1.541 10.146 1.00 0.00 H new ATOM 0 HE3 LYS A 91 16.350 0.134 10.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 18.594 -0.714 10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 18.279 -0.325 12.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.280 -1.948 11.564 1.00 0.00 H new ATOM 1282 N SER A 92 12.859 1.275 16.116 1.00 0.00 N ATOM 1283 CA SER A 92 13.561 1.783 17.289 1.00 0.00 C ATOM 1284 C SER A 92 14.258 0.650 18.036 1.00 0.00 C ATOM 1285 O SER A 92 13.985 -0.526 17.792 1.00 0.00 O ATOM 1286 CB SER A 92 12.585 2.500 18.223 1.00 0.00 C ATOM 1287 OG SER A 92 12.076 3.678 17.622 1.00 0.00 O ATOM 0 H SER A 92 11.858 1.472 16.105 1.00 0.00 H new ATOM 0 HA SER A 92 14.317 2.492 16.951 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.762 1.832 18.476 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.089 2.752 19.156 1.00 0.00 H new ATOM 0 HG SER A 92 11.453 4.117 18.238 1.00 0.00 H new ATOM 1293 N GLU A 93 15.158 1.009 18.945 1.00 0.00 N ATOM 1294 CA GLU A 93 15.891 0.018 19.724 1.00 0.00 C ATOM 1295 C GLU A 93 16.587 0.670 20.916 1.00 0.00 C ATOM 1296 O GLU A 93 16.277 1.803 21.283 1.00 0.00 O ATOM 1297 CB GLU A 93 16.918 -0.696 18.840 1.00 0.00 C ATOM 1298 CG GLU A 93 16.955 -2.202 19.045 1.00 0.00 C ATOM 1299 CD GLU A 93 17.348 -2.953 17.788 1.00 0.00 C ATOM 1300 OE1 GLU A 93 16.810 -2.626 16.709 1.00 0.00 O ATOM 1301 OE2 GLU A 93 18.193 -3.867 17.883 1.00 0.00 O ATOM 0 H GLU A 93 15.397 1.977 19.160 1.00 0.00 H new ATOM 0 HA GLU A 93 15.178 -0.714 20.102 1.00 0.00 H new ATOM 0 HB2 GLU A 93 16.694 -0.485 17.794 1.00 0.00 H new ATOM 0 HB3 GLU A 93 17.907 -0.286 19.043 1.00 0.00 H new ATOM 0 HG2 GLU A 93 17.661 -2.439 19.841 1.00 0.00 H new ATOM 0 HG3 GLU A 93 15.974 -2.544 19.376 1.00 0.00 H new ATOM 1308 N SER A 94 17.528 -0.052 21.517 1.00 0.00 N ATOM 1309 CA SER A 94 18.265 0.460 22.667 1.00 0.00 C ATOM 1310 C SER A 94 17.323 0.748 23.832 1.00 0.00 C ATOM 1311 O SER A 94 16.152 0.372 23.803 1.00 0.00 O ATOM 1312 CB SER A 94 19.028 1.730 22.286 1.00 0.00 C ATOM 1313 OG SER A 94 19.832 2.185 23.361 1.00 0.00 O ATOM 0 H SER A 94 17.798 -0.992 21.227 1.00 0.00 H new ATOM 0 HA SER A 94 18.978 -0.303 22.980 1.00 0.00 H new ATOM 0 HB2 SER A 94 19.655 1.534 21.416 1.00 0.00 H new ATOM 0 HB3 SER A 94 18.322 2.510 22.000 1.00 0.00 H new ATOM 0 HG SER A 94 19.467 3.025 23.710 1.00 0.00 H new ATOM 1319 N ARG A 95 17.844 1.417 24.855 1.00 0.00 N ATOM 1320 CA ARG A 95 17.049 1.756 26.030 1.00 0.00 C ATOM 1321 C ARG A 95 16.552 0.496 26.733 1.00 0.00 C ATOM 1322 O ARG A 95 16.903 -0.620 26.349 1.00 0.00 O ATOM 1323 CB ARG A 95 15.863 2.638 25.631 1.00 0.00 C ATOM 1324 CG ARG A 95 15.685 3.857 26.521 1.00 0.00 C ATOM 1325 CD ARG A 95 14.419 4.621 26.172 1.00 0.00 C ATOM 1326 NE ARG A 95 14.192 5.748 27.075 1.00 0.00 N ATOM 1327 CZ ARG A 95 14.821 6.916 26.975 1.00 0.00 C ATOM 1328 NH1 ARG A 95 15.715 7.117 26.016 1.00 0.00 N ATOM 1329 NH2 ARG A 95 14.556 7.888 27.838 1.00 0.00 N ATOM 0 H ARG A 95 18.812 1.735 24.894 1.00 0.00 H new ATOM 0 HA ARG A 95 17.684 2.308 26.723 1.00 0.00 H new ATOM 0 HB2 ARG A 95 15.996 2.967 24.600 1.00 0.00 H new ATOM 0 HB3 ARG A 95 14.951 2.041 25.660 1.00 0.00 H new ATOM 0 HG2 ARG A 95 15.647 3.544 27.565 1.00 0.00 H new ATOM 0 HG3 ARG A 95 16.548 4.514 26.417 1.00 0.00 H new ATOM 0 HD2 ARG A 95 14.487 4.986 25.147 1.00 0.00 H new ATOM 0 HD3 ARG A 95 13.565 3.945 26.214 1.00 0.00 H new ATOM 0 HE ARG A 95 13.511 5.632 27.826 1.00 0.00 H new ATOM 0 HH11 ARG A 95 15.924 6.374 25.350 1.00 0.00 H new ATOM 0 HH12 ARG A 95 16.194 8.015 25.945 1.00 0.00 H new ATOM 0 HH21 ARG A 95 13.870 7.740 28.578 1.00 0.00 H new ATOM 0 HH22 ARG A 95 15.038 8.784 27.761 1.00 0.00 H new ATOM 1343 N ARG A 96 15.733 0.684 27.763 1.00 0.00 N ATOM 1344 CA ARG A 96 15.185 -0.437 28.520 1.00 0.00 C ATOM 1345 C ARG A 96 16.296 -1.216 29.219 1.00 0.00 C ATOM 1346 O ARG A 96 17.308 -1.559 28.607 1.00 0.00 O ATOM 1347 CB ARG A 96 14.394 -1.367 27.597 1.00 0.00 C ATOM 1348 CG ARG A 96 13.063 -1.813 28.180 1.00 0.00 C ATOM 1349 CD ARG A 96 13.151 -3.212 28.769 1.00 0.00 C ATOM 1350 NE ARG A 96 13.498 -4.210 27.760 1.00 0.00 N ATOM 1351 CZ ARG A 96 12.667 -4.614 26.801 1.00 0.00 C ATOM 1352 NH1 ARG A 96 11.442 -4.109 26.717 1.00 0.00 N ATOM 1353 NH2 ARG A 96 13.062 -5.527 25.923 1.00 0.00 N ATOM 0 H ARG A 96 15.434 1.602 28.093 1.00 0.00 H new ATOM 0 HA ARG A 96 14.514 -0.037 29.280 1.00 0.00 H new ATOM 0 HB2 ARG A 96 14.214 -0.859 26.650 1.00 0.00 H new ATOM 0 HB3 ARG A 96 14.998 -2.247 27.377 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.750 -1.111 28.953 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.299 -1.792 27.403 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.898 -3.225 29.563 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.196 -3.474 29.225 1.00 0.00 H new ATOM 0 HE ARG A 96 14.431 -4.621 27.792 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.132 -3.407 27.389 1.00 0.00 H new ATOM 0 HH12 ARG A 96 10.810 -4.423 25.980 1.00 0.00 H new ATOM 0 HH21 ARG A 96 14.002 -5.919 25.983 1.00 0.00 H new ATOM 0 HH22 ARG A 96 12.426 -5.837 25.188 1.00 0.00 H new ATOM 1367 N ALA A 97 16.099 -1.493 30.504 1.00 0.00 N ATOM 1368 CA ALA A 97 17.084 -2.231 31.286 1.00 0.00 C ATOM 1369 C ALA A 97 16.445 -2.860 32.519 1.00 0.00 C ATOM 1370 O ALA A 97 15.733 -2.195 33.270 1.00 0.00 O ATOM 1371 CB ALA A 97 18.230 -1.317 31.690 1.00 0.00 C ATOM 0 H ALA A 97 15.267 -1.218 31.025 1.00 0.00 H new ATOM 0 HA ALA A 97 17.478 -3.034 30.664 1.00 0.00 H new ATOM 0 HB1 ALA A 97 18.957 -1.882 32.273 1.00 0.00 H new ATOM 0 HB2 ALA A 97 18.711 -0.920 30.796 1.00 0.00 H new ATOM 0 HB3 ALA A 97 17.844 -0.493 32.291 1.00 0.00 H new ATOM 1377 N ASP A 98 16.706 -4.147 32.723 1.00 0.00 N ATOM 1378 CA ASP A 98 16.157 -4.867 33.866 1.00 0.00 C ATOM 1379 C ASP A 98 16.820 -4.414 35.163 1.00 0.00 C ATOM 1380 O ASP A 98 17.982 -4.729 35.421 1.00 0.00 O ATOM 1381 CB ASP A 98 16.343 -6.374 33.685 1.00 0.00 C ATOM 1382 CG ASP A 98 17.775 -6.745 33.352 1.00 0.00 C ATOM 1383 OD1 ASP A 98 18.571 -6.943 34.294 1.00 0.00 O ATOM 1384 OD2 ASP A 98 18.101 -6.836 32.150 1.00 0.00 O ATOM 0 H ASP A 98 17.294 -4.713 32.111 1.00 0.00 H new ATOM 0 HA ASP A 98 15.092 -4.645 33.925 1.00 0.00 H new ATOM 0 HB2 ASP A 98 16.041 -6.887 34.598 1.00 0.00 H new ATOM 0 HB3 ASP A 98 15.685 -6.725 32.890 1.00 0.00 H new ATOM 1389 N GLU A 99 16.073 -3.673 35.975 1.00 0.00 N ATOM 1390 CA GLU A 99 16.588 -3.176 37.245 1.00 0.00 C ATOM 1391 C GLU A 99 15.448 -2.708 38.146 1.00 0.00 C ATOM 1392 O GLU A 99 14.767 -1.728 37.843 1.00 0.00 O ATOM 1393 CB GLU A 99 17.573 -2.029 37.006 1.00 0.00 C ATOM 1394 CG GLU A 99 18.918 -2.233 37.682 1.00 0.00 C ATOM 1395 CD GLU A 99 19.014 -1.521 39.016 1.00 0.00 C ATOM 1396 OE1 GLU A 99 17.976 -1.397 39.700 1.00 0.00 O ATOM 1397 OE2 GLU A 99 20.128 -1.086 39.379 1.00 0.00 O ATOM 0 H GLU A 99 15.110 -3.404 35.776 1.00 0.00 H new ATOM 0 HA GLU A 99 17.109 -3.993 37.744 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.729 -1.912 35.934 1.00 0.00 H new ATOM 0 HB3 GLU A 99 17.131 -1.100 37.367 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.088 -3.299 37.831 1.00 0.00 H new ATOM 0 HG3 GLU A 99 19.709 -1.873 37.024 1.00 0.00 H new ATOM 1404 N ARG A 100 15.244 -3.416 39.251 1.00 0.00 N ATOM 1405 CA ARG A 100 14.184 -3.073 40.193 1.00 0.00 C ATOM 1406 C ARG A 100 14.437 -3.711 41.556 1.00 0.00 C ATOM 1407 O ARG A 100 15.502 -4.275 41.801 1.00 0.00 O ATOM 1408 CB ARG A 100 12.826 -3.521 39.647 1.00 0.00 C ATOM 1409 CG ARG A 100 11.758 -2.441 39.712 1.00 0.00 C ATOM 1410 CD ARG A 100 10.600 -2.749 38.777 1.00 0.00 C ATOM 1411 NE ARG A 100 9.912 -1.536 38.338 1.00 0.00 N ATOM 1412 CZ ARG A 100 9.019 -0.882 39.078 1.00 0.00 C ATOM 1413 NH1 ARG A 100 8.703 -1.319 40.291 1.00 0.00 N ATOM 1414 NH2 ARG A 100 8.440 0.212 38.603 1.00 0.00 N ATOM 0 H ARG A 100 15.798 -4.230 39.517 1.00 0.00 H new ATOM 0 HA ARG A 100 14.178 -1.990 40.318 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.947 -3.839 38.611 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.486 -4.391 40.210 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.389 -2.353 40.734 1.00 0.00 H new ATOM 0 HG3 ARG A 100 12.195 -1.478 39.447 1.00 0.00 H new ATOM 0 HD2 ARG A 100 10.971 -3.290 37.907 1.00 0.00 H new ATOM 0 HD3 ARG A 100 9.891 -3.405 39.282 1.00 0.00 H new ATOM 0 HE ARG A 100 10.129 -1.169 37.411 1.00 0.00 H new ATOM 0 HH11 ARG A 100 9.145 -2.160 40.661 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.018 -0.813 40.853 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.679 0.552 37.671 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.756 0.714 39.169 1.00 0.00 H new ATOM 1428 N LEU A 101 13.447 -3.614 42.438 1.00 0.00 N ATOM 1429 CA LEU A 101 13.553 -4.180 43.779 1.00 0.00 C ATOM 1430 C LEU A 101 14.697 -3.541 44.564 1.00 0.00 C ATOM 1431 O LEU A 101 15.151 -4.089 45.568 1.00 0.00 O ATOM 1432 CB LEU A 101 13.758 -5.695 43.701 1.00 0.00 C ATOM 1433 CG LEU A 101 12.509 -6.499 43.337 1.00 0.00 C ATOM 1434 CD1 LEU A 101 12.871 -7.673 42.441 1.00 0.00 C ATOM 1435 CD2 LEU A 101 11.804 -6.985 44.596 1.00 0.00 C ATOM 0 H LEU A 101 12.560 -3.148 42.248 1.00 0.00 H new ATOM 0 HA LEU A 101 12.621 -3.969 44.303 1.00 0.00 H new ATOM 0 HB2 LEU A 101 14.534 -5.904 42.964 1.00 0.00 H new ATOM 0 HB3 LEU A 101 14.130 -6.046 44.664 1.00 0.00 H new ATOM 0 HG LEU A 101 11.828 -5.848 42.789 1.00 0.00 H new ATOM 0 HD11 LEU A 101 11.969 -8.233 42.193 1.00 0.00 H new ATOM 0 HD12 LEU A 101 13.332 -7.303 41.525 1.00 0.00 H new ATOM 0 HD13 LEU A 101 13.572 -8.326 42.962 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.917 -7.555 44.319 1.00 0.00 H new ATOM 0 HD22 LEU A 101 12.480 -7.620 45.169 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.510 -6.128 45.202 1.00 0.00 H new ATOM 1441 N LYS A 102 15.160 -2.379 44.105 1.00 0.00 N ATOM 1442 CA LYS A 102 16.250 -1.669 44.771 1.00 0.00 C ATOM 1443 C LYS A 102 17.418 -2.609 45.071 1.00 0.00 C ATOM 1444 O LYS A 102 17.429 -3.761 44.637 1.00 0.00 O ATOM 1445 CB LYS A 102 15.747 -1.026 46.065 1.00 0.00 C ATOM 1446 CG LYS A 102 15.479 0.465 45.939 1.00 0.00 C ATOM 1447 CD LYS A 102 14.209 0.869 46.671 1.00 0.00 C ATOM 1448 CE LYS A 102 12.967 0.521 45.867 1.00 0.00 C ATOM 1449 NZ LYS A 102 12.579 -0.907 46.034 1.00 0.00 N ATOM 0 H LYS A 102 14.797 -1.910 43.275 1.00 0.00 H new ATOM 0 HA LYS A 102 16.606 -0.889 44.099 1.00 0.00 H new ATOM 0 HB2 LYS A 102 14.830 -1.526 46.377 1.00 0.00 H new ATOM 0 HB3 LYS A 102 16.483 -1.189 46.852 1.00 0.00 H new ATOM 0 HG2 LYS A 102 16.325 1.023 46.341 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.393 0.732 44.886 1.00 0.00 H new ATOM 0 HD2 LYS A 102 14.170 0.367 47.638 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.227 1.941 46.869 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.141 1.160 46.180 1.00 0.00 H new ATOM 0 HE3 LYS A 102 13.148 0.727 44.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 11.548 -1.001 45.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 13.052 -1.482 45.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 12.866 -1.237 46.978 1.00 0.00 H new ATOM 1463 N ASP A 103 18.398 -2.107 45.818 1.00 0.00 N ATOM 1464 CA ASP A 103 19.567 -2.902 46.177 1.00 0.00 C ATOM 1465 C ASP A 103 19.250 -3.838 47.339 1.00 0.00 C ATOM 1466 O ASP A 103 18.097 -3.969 47.748 1.00 0.00 O ATOM 1467 CB ASP A 103 20.737 -1.987 46.543 1.00 0.00 C ATOM 1468 CG ASP A 103 22.030 -2.405 45.871 1.00 0.00 C ATOM 1469 OD1 ASP A 103 22.252 -3.624 45.719 1.00 0.00 O ATOM 1470 OD2 ASP A 103 22.821 -1.514 45.497 1.00 0.00 O ATOM 0 H ASP A 103 18.405 -1.155 46.185 1.00 0.00 H new ATOM 0 HA ASP A 103 19.846 -3.507 45.314 1.00 0.00 H new ATOM 0 HB2 ASP A 103 20.497 -0.963 46.257 1.00 0.00 H new ATOM 0 HB3 ASP A 103 20.874 -1.992 47.624 1.00 0.00 H new ATOM 1475 N SER A 104 20.282 -4.489 47.866 1.00 0.00 N ATOM 1476 CA SER A 104 20.113 -5.414 48.981 1.00 0.00 C ATOM 1477 C SER A 104 20.061 -4.662 50.308 1.00 0.00 C ATOM 1478 O SER A 104 20.430 -3.490 50.383 1.00 0.00 O ATOM 1479 CB SER A 104 21.252 -6.435 49.001 1.00 0.00 C ATOM 1480 OG SER A 104 20.776 -7.737 48.706 1.00 0.00 O ATOM 0 H SER A 104 21.243 -4.393 47.539 1.00 0.00 H new ATOM 0 HA SER A 104 19.168 -5.940 48.846 1.00 0.00 H new ATOM 0 HB2 SER A 104 22.013 -6.150 48.275 1.00 0.00 H new ATOM 0 HB3 SER A 104 21.730 -6.432 49.981 1.00 0.00 H new ATOM 0 HG SER A 104 21.524 -8.370 48.723 1.00 0.00 H new ATOM 1486 N PHE A 105 19.599 -5.344 51.351 1.00 0.00 N ATOM 1487 CA PHE A 105 19.499 -4.740 52.675 1.00 0.00 C ATOM 1488 C PHE A 105 20.860 -4.715 53.365 1.00 0.00 C ATOM 1489 O PHE A 105 21.146 -3.818 54.159 1.00 0.00 O ATOM 1490 CB PHE A 105 18.490 -5.508 53.533 1.00 0.00 C ATOM 1491 CG PHE A 105 17.181 -4.791 53.705 1.00 0.00 C ATOM 1492 CD1 PHE A 105 16.477 -4.332 52.603 1.00 0.00 C ATOM 1493 CD2 PHE A 105 16.654 -4.578 54.968 1.00 0.00 C ATOM 1494 CE1 PHE A 105 15.273 -3.672 52.758 1.00 0.00 C ATOM 1495 CE2 PHE A 105 15.450 -3.919 55.130 1.00 0.00 C ATOM 1496 CZ PHE A 105 14.758 -3.466 54.024 1.00 0.00 C ATOM 0 H PHE A 105 19.288 -6.314 51.305 1.00 0.00 H new ATOM 0 HA PHE A 105 19.155 -3.713 52.555 1.00 0.00 H new ATOM 0 HB2 PHE A 105 18.305 -6.481 53.078 1.00 0.00 H new ATOM 0 HB3 PHE A 105 18.926 -5.692 54.515 1.00 0.00 H new ATOM 0 HD1 PHE A 105 16.874 -4.492 51.611 1.00 0.00 H new ATOM 0 HD2 PHE A 105 17.190 -4.931 55.836 1.00 0.00 H new ATOM 0 HE1 PHE A 105 14.735 -3.318 51.891 1.00 0.00 H new ATOM 0 HE2 PHE A 105 15.051 -3.758 56.121 1.00 0.00 H new ATOM 0 HZ PHE A 105 13.816 -2.952 54.148 1.00 0.00 H new ATOM 1506 N GLU A 106 21.692 -5.704 53.059 1.00 0.00 N ATOM 1507 CA GLU A 106 23.023 -5.795 53.650 1.00 0.00 C ATOM 1508 C GLU A 106 22.936 -5.926 55.167 1.00 0.00 C ATOM 1509 O GLU A 106 21.942 -5.534 55.778 1.00 0.00 O ATOM 1510 CB GLU A 106 23.854 -4.566 53.279 1.00 0.00 C ATOM 1511 CG GLU A 106 24.411 -4.613 51.865 1.00 0.00 C ATOM 1512 CD GLU A 106 24.440 -3.248 51.205 1.00 0.00 C ATOM 1513 OE1 GLU A 106 23.367 -2.773 50.777 1.00 0.00 O ATOM 1514 OE2 GLU A 106 25.535 -2.654 51.116 1.00 0.00 O ATOM 0 H GLU A 106 21.469 -6.454 52.405 1.00 0.00 H new ATOM 0 HA GLU A 106 23.509 -6.686 53.254 1.00 0.00 H new ATOM 0 HB2 GLU A 106 23.237 -3.674 53.388 1.00 0.00 H new ATOM 0 HB3 GLU A 106 24.680 -4.470 53.983 1.00 0.00 H new ATOM 0 HG2 GLU A 106 25.421 -5.022 51.890 1.00 0.00 H new ATOM 0 HG3 GLU A 106 23.807 -5.291 51.263 1.00 0.00 H new ATOM 1521 N ASN A 107 23.984 -6.480 55.769 1.00 0.00 N ATOM 1522 CA ASN A 107 24.027 -6.662 57.215 1.00 0.00 C ATOM 1523 C ASN A 107 25.414 -7.106 57.666 1.00 0.00 C ATOM 1524 O ASN A 107 25.983 -6.526 58.588 1.00 99.99 O ATOM 1525 CB ASN A 107 22.982 -7.692 57.651 1.00 0.00 C ATOM 1526 CG ASN A 107 23.186 -9.040 56.988 1.00 0.00 C ATOM 1527 OD1 ASN A 107 22.762 -9.257 55.853 1.00 0.00 O ATOM 1528 ND2 ASN A 107 23.839 -9.955 57.696 1.00 0.00 N ATOM 0 H ASN A 107 24.814 -6.810 55.278 1.00 0.00 H new ATOM 0 HA ASN A 107 23.802 -5.704 57.684 1.00 0.00 H new ATOM 0 HB2 ASN A 107 23.025 -7.813 58.733 1.00 0.00 H new ATOM 0 HB3 ASN A 107 21.986 -7.319 57.411 1.00 0.00 H new ATOM 0 HD21 ASN A 107 24.006 -10.881 57.302 1.00 0.00 H new ATOM 0 HD22 ASN A 107 24.173 -9.732 58.634 1.00 0.00 H new TER 1533 ASN A 107