USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 699 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 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 86 LYS NZ :NH3+ 160:sc= 1.74 (180deg=-0.346) USER MOD Set 1.3: A 88 SER OG : rot 180:sc= 0.999 USER MOD Set 2.1: A 15 SER OG : rot -80:sc= -0.307 USER MOD Set 2.2: A 78 LYS NZ :NH3+ -152:sc= -0.0285 (180deg=-0.689) USER MOD Set 3.1: A 16 THR OG1 : rot 180:sc= 0.286 USER MOD Set 3.2: A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.3: A 39 LYS NZ :NH3+ 166:sc= 0.29 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0989 (180deg=0) USER MOD Single : A 2 HIS : no HE2:sc= 1.08 K(o=1.1,f=-4.5!) USER MOD Single : A 5 THR OG1 : rot -15:sc= 1.05 USER MOD Single : A 10 ASN : amide:sc= 1.1 K(o=1.1,f=-0.46) USER MOD Single : A 12 ASN : amide:sc= 0.529 K(o=0.53,f=-2.1!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -160:sc= 0.16 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0478 USER MOD Single : A 34 ASN : amide:sc= 0.256 K(o=0.26,f=-2.3) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot -129:sc= 0.279 USER MOD Single : A 44 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.22) USER MOD Single : A 46 ASN : amide:sc= -0.0125 K(o=-0.013,f=-5.3!) USER MOD Single : A 53 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.027) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -108:sc= 1.27 USER MOD Single : A 61 GLN : amide:sc= -0.561 K(o=-0.56,f=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.68) USER MOD Single : A 70 HIS : no HD1:sc= -0.0596 X(o=-0.06,f=-0.47) USER MOD Single : A 74 THR OG1 : rot -120:sc= -0.135 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.017 USER MOD Single : A 81 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.787 16.876 1.635 1.00 23.51 N ATOM 2 CA GLY A 1 10.181 15.584 1.971 1.00 12.24 C ATOM 3 C GLY A 1 11.238 14.576 2.377 1.00 13.14 C ATOM 4 O GLY A 1 12.439 14.837 2.266 1.00 2.23 O ATOM 0 H1 GLY A 1 10.423 17.608 2.278 1.00 23.51 H new ATOM 0 H2 GLY A 1 11.820 16.811 1.734 1.00 23.51 H new ATOM 0 H3 GLY A 1 10.548 17.127 0.654 1.00 23.51 H new ATOM 0 HA2 GLY A 1 9.467 15.714 2.784 1.00 12.24 H new ATOM 0 HA3 GLY A 1 9.623 15.206 1.114 1.00 12.24 H new ATOM 8 N HIS A 2 10.792 13.398 2.814 1.00 11.11 N ATOM 9 CA HIS A 2 11.644 12.216 2.925 1.00 13.34 C ATOM 10 C HIS A 2 12.173 11.790 1.554 1.00 13.01 C ATOM 11 O HIS A 2 13.320 11.375 1.449 1.00 21.22 O ATOM 12 CB HIS A 2 10.847 11.065 3.542 1.00 2.34 C ATOM 13 CG HIS A 2 10.683 11.103 5.039 1.00 61.24 C ATOM 14 ND1 HIS A 2 10.035 10.133 5.756 1.00 20.13 N ATOM 15 CD2 HIS A 2 11.226 11.986 5.934 1.00 1.42 C ATOM 16 CE1 HIS A 2 10.204 10.393 7.057 1.00 71.55 C ATOM 17 NE2 HIS A 2 10.930 11.513 7.220 1.00 44.32 N ATOM 0 H HIS A 2 9.827 13.237 3.102 1.00 11.11 H new ATOM 0 HA HIS A 2 12.493 12.464 3.562 1.00 13.34 H new ATOM 0 HB2 HIS A 2 9.856 11.051 3.088 1.00 2.34 H new ATOM 0 HB3 HIS A 2 11.334 10.127 3.273 1.00 2.34 H new ATOM 0 HD1 HIS A 2 9.514 9.348 5.366 1.00 20.13 H new ATOM 0 HD2 HIS A 2 11.780 12.881 5.693 1.00 1.42 H new ATOM 0 HE1 HIS A 2 9.813 9.789 7.862 1.00 71.55 H new ATOM 25 N MET A 3 11.366 11.976 0.511 1.00 22.43 N ATOM 26 CA MET A 3 11.589 11.634 -0.879 1.00 53.45 C ATOM 27 C MET A 3 11.443 10.125 -1.120 1.00 15.34 C ATOM 28 O MET A 3 12.362 9.434 -1.552 1.00 1.12 O ATOM 29 CB MET A 3 12.866 12.293 -1.445 1.00 51.35 C ATOM 30 CG MET A 3 12.949 13.798 -1.142 1.00 11.00 C ATOM 31 SD MET A 3 11.453 14.760 -1.534 1.00 35.52 S ATOM 32 CE MET A 3 12.059 15.767 -2.908 1.00 3.23 C ATOM 0 H MET A 3 10.453 12.413 0.638 1.00 22.43 H new ATOM 0 HA MET A 3 10.793 12.075 -1.479 1.00 53.45 H new ATOM 0 HB2 MET A 3 13.741 11.795 -1.027 1.00 51.35 H new ATOM 0 HB3 MET A 3 12.898 12.143 -2.524 1.00 51.35 H new ATOM 0 HG2 MET A 3 13.175 13.926 -0.083 1.00 11.00 H new ATOM 0 HG3 MET A 3 13.786 14.218 -1.700 1.00 11.00 H new ATOM 0 HE1 MET A 3 11.259 16.415 -3.265 1.00 3.23 H new ATOM 0 HE2 MET A 3 12.897 16.377 -2.570 1.00 3.23 H new ATOM 0 HE3 MET A 3 12.387 15.117 -3.719 1.00 3.23 H new ATOM 42 N ASP A 4 10.213 9.650 -0.936 1.00 62.55 N ATOM 43 CA ASP A 4 9.668 8.323 -1.151 1.00 74.24 C ATOM 44 C ASP A 4 8.144 8.510 -1.213 1.00 61.44 C ATOM 45 O ASP A 4 7.572 9.369 -0.535 1.00 42.42 O ATOM 46 CB ASP A 4 10.048 7.354 -0.024 1.00 60.43 C ATOM 47 CG ASP A 4 9.319 7.612 1.300 1.00 72.42 C ATOM 48 OD1 ASP A 4 9.887 8.347 2.139 1.00 34.32 O ATOM 49 OD2 ASP A 4 8.158 7.159 1.466 1.00 44.13 O ATOM 0 H ASP A 4 9.486 10.274 -0.587 1.00 62.55 H new ATOM 0 HA ASP A 4 10.068 7.884 -2.065 1.00 74.24 H new ATOM 0 HB2 ASP A 4 9.837 6.335 -0.349 1.00 60.43 H new ATOM 0 HB3 ASP A 4 11.123 7.418 0.148 1.00 60.43 H new ATOM 54 N THR A 5 7.455 7.774 -2.075 1.00 11.32 N ATOM 55 CA THR A 5 6.069 7.360 -1.863 1.00 35.30 C ATOM 56 C THR A 5 5.951 5.988 -2.517 1.00 74.35 C ATOM 57 O THR A 5 6.367 5.835 -3.672 1.00 21.12 O ATOM 58 CB THR A 5 5.088 8.362 -2.500 1.00 11.22 C ATOM 59 OG1 THR A 5 5.384 9.673 -2.065 1.00 24.03 O ATOM 60 CG2 THR A 5 3.622 8.070 -2.161 1.00 72.22 C ATOM 0 H THR A 5 7.847 7.441 -2.956 1.00 11.32 H new ATOM 0 HA THR A 5 5.818 7.324 -0.803 1.00 35.30 H new ATOM 0 HB THR A 5 5.214 8.263 -3.578 1.00 11.22 H new ATOM 0 HG1 THR A 5 5.977 9.633 -1.286 1.00 24.03 H new ATOM 0 HG21 THR A 5 2.983 8.812 -2.640 1.00 72.22 H new ATOM 0 HG22 THR A 5 3.356 7.076 -2.520 1.00 72.22 H new ATOM 0 HG23 THR A 5 3.483 8.114 -1.081 1.00 72.22 H new ATOM 68 N ILE A 6 5.383 5.010 -1.814 1.00 33.33 N ATOM 69 CA ILE A 6 5.008 3.733 -2.410 1.00 64.11 C ATOM 70 C ILE A 6 3.491 3.767 -2.526 1.00 44.22 C ATOM 71 O ILE A 6 2.803 4.154 -1.581 1.00 15.44 O ATOM 72 CB ILE A 6 5.532 2.531 -1.588 1.00 3.13 C ATOM 73 CG1 ILE A 6 7.054 2.670 -1.367 1.00 61.15 C ATOM 74 CG2 ILE A 6 5.176 1.217 -2.306 1.00 15.43 C ATOM 75 CD1 ILE A 6 7.756 1.377 -0.936 1.00 44.12 C ATOM 0 H ILE A 6 5.171 5.082 -0.819 1.00 33.33 H new ATOM 0 HA ILE A 6 5.463 3.595 -3.391 1.00 64.11 H new ATOM 0 HB ILE A 6 5.055 2.516 -0.608 1.00 3.13 H new ATOM 0 HG12 ILE A 6 7.511 3.026 -2.290 1.00 61.15 H new ATOM 0 HG13 ILE A 6 7.230 3.434 -0.609 1.00 61.15 H new ATOM 0 HG21 ILE A 6 5.546 0.373 -1.725 1.00 15.43 H new ATOM 0 HG22 ILE A 6 4.094 1.140 -2.408 1.00 15.43 H new ATOM 0 HG23 ILE A 6 5.636 1.206 -3.294 1.00 15.43 H new ATOM 0 HD11 ILE A 6 8.821 1.568 -0.804 1.00 44.12 H new ATOM 0 HD12 ILE A 6 7.331 1.028 0.005 1.00 44.12 H new ATOM 0 HD13 ILE A 6 7.616 0.614 -1.702 1.00 44.12 H new ATOM 87 N ILE A 7 2.968 3.393 -3.688 1.00 2.24 N ATOM 88 CA ILE A 7 1.549 3.173 -3.889 1.00 54.44 C ATOM 89 C ILE A 7 1.330 1.663 -3.841 1.00 33.10 C ATOM 90 O ILE A 7 2.049 0.910 -4.490 1.00 32.34 O ATOM 91 CB ILE A 7 1.048 3.848 -5.187 1.00 42.31 C ATOM 92 CG1 ILE A 7 1.411 5.345 -5.154 1.00 2.53 C ATOM 93 CG2 ILE A 7 -0.458 3.639 -5.409 1.00 52.12 C ATOM 94 CD1 ILE A 7 0.861 6.182 -6.313 1.00 53.11 C ATOM 0 H ILE A 7 3.529 3.233 -4.525 1.00 2.24 H new ATOM 0 HA ILE A 7 0.952 3.642 -3.107 1.00 54.44 H new ATOM 0 HB ILE A 7 1.545 3.376 -6.034 1.00 42.31 H new ATOM 0 HG12 ILE A 7 1.047 5.769 -4.218 1.00 2.53 H new ATOM 0 HG13 ILE A 7 2.497 5.438 -5.145 1.00 2.53 H new ATOM 0 HG21 ILE A 7 -0.761 4.132 -6.333 1.00 52.12 H new ATOM 0 HG22 ILE A 7 -0.671 2.572 -5.480 1.00 52.12 H new ATOM 0 HG23 ILE A 7 -1.012 4.065 -4.572 1.00 52.12 H new ATOM 0 HD11 ILE A 7 1.174 7.219 -6.194 1.00 53.11 H new ATOM 0 HD12 ILE A 7 1.245 5.793 -7.256 1.00 53.11 H new ATOM 0 HD13 ILE A 7 -0.228 6.130 -6.315 1.00 53.11 H new ATOM 106 N LEU A 8 0.337 1.214 -3.080 1.00 51.23 N ATOM 107 CA LEU A 8 -0.204 -0.139 -3.188 1.00 63.12 C ATOM 108 C LEU A 8 -1.327 -0.119 -4.203 1.00 4.20 C ATOM 109 O LEU A 8 -2.036 0.876 -4.286 1.00 34.22 O ATOM 110 CB LEU A 8 -0.824 -0.642 -1.882 1.00 44.24 C ATOM 111 CG LEU A 8 0.147 -0.911 -0.730 1.00 51.25 C ATOM 112 CD1 LEU A 8 -0.665 -1.616 0.357 1.00 12.41 C ATOM 113 CD2 LEU A 8 1.349 -1.776 -1.136 1.00 24.10 C ATOM 0 H LEU A 8 -0.119 1.782 -2.366 1.00 51.23 H new ATOM 0 HA LEU A 8 0.625 -0.791 -3.462 1.00 63.12 H new ATOM 0 HB2 LEU A 8 -1.558 0.091 -1.547 1.00 44.24 H new ATOM 0 HB3 LEU A 8 -1.367 -1.563 -2.094 1.00 44.24 H new ATOM 0 HG LEU A 8 0.573 0.033 -0.389 1.00 51.25 H new ATOM 0 HD11 LEU A 8 -0.021 -1.834 1.209 1.00 12.41 H new ATOM 0 HD12 LEU A 8 -1.483 -0.970 0.677 1.00 12.41 H new ATOM 0 HD13 LEU A 8 -1.071 -2.547 -0.038 1.00 12.41 H new ATOM 0 HD21 LEU A 8 1.996 -1.928 -0.272 1.00 24.10 H new ATOM 0 HD22 LEU A 8 0.996 -2.741 -1.499 1.00 24.10 H new ATOM 0 HD23 LEU A 8 1.909 -1.274 -1.925 1.00 24.10 H new ATOM 125 N ARG A 9 -1.574 -1.228 -4.892 1.00 24.44 N ATOM 126 CA ARG A 9 -2.601 -1.347 -5.934 1.00 60.32 C ATOM 127 C ARG A 9 -3.394 -2.618 -5.695 1.00 63.12 C ATOM 128 O ARG A 9 -2.975 -3.465 -4.902 1.00 0.24 O ATOM 129 CB ARG A 9 -1.958 -1.420 -7.335 1.00 71.23 C ATOM 130 CG ARG A 9 -0.992 -0.287 -7.667 1.00 63.04 C ATOM 131 CD ARG A 9 0.007 -0.660 -8.774 1.00 72.33 C ATOM 132 NE ARG A 9 -0.292 0.017 -10.042 1.00 22.10 N ATOM 133 CZ ARG A 9 -0.810 -0.484 -11.164 1.00 1.22 C ATOM 134 NH1 ARG A 9 -1.150 -1.765 -11.254 1.00 4.12 N ATOM 135 NH2 ARG A 9 -0.976 0.331 -12.198 1.00 33.31 N ATOM 0 H ARG A 9 -1.055 -2.093 -4.741 1.00 24.44 H new ATOM 0 HA ARG A 9 -3.248 -0.471 -5.890 1.00 60.32 H new ATOM 0 HB2 ARG A 9 -1.426 -2.367 -7.424 1.00 71.23 H new ATOM 0 HB3 ARG A 9 -2.752 -1.429 -8.082 1.00 71.23 H new ATOM 0 HG2 ARG A 9 -1.561 0.590 -7.978 1.00 63.04 H new ATOM 0 HG3 ARG A 9 -0.443 -0.009 -6.767 1.00 63.04 H new ATOM 0 HD2 ARG A 9 1.016 -0.399 -8.454 1.00 72.33 H new ATOM 0 HD3 ARG A 9 -0.010 -1.739 -8.927 1.00 72.33 H new ATOM 0 HE ARG A 9 -0.072 1.013 -10.068 1.00 22.10 H new ATOM 0 HH11 ARG A 9 -1.016 -2.385 -10.455 1.00 4.12 H new ATOM 0 HH12 ARG A 9 -1.545 -2.128 -12.122 1.00 4.12 H new ATOM 0 HH21 ARG A 9 -0.710 1.313 -12.122 1.00 33.31 H new ATOM 0 HH22 ARG A 9 -1.370 -0.024 -13.069 1.00 33.31 H new ATOM 149 N ASN A 10 -4.461 -2.783 -6.477 1.00 44.14 N ATOM 150 CA ASN A 10 -5.315 -3.962 -6.490 1.00 15.51 C ATOM 151 C ASN A 10 -5.895 -4.208 -5.099 1.00 64.11 C ATOM 152 O ASN A 10 -5.914 -5.325 -4.587 1.00 34.44 O ATOM 153 CB ASN A 10 -4.555 -5.167 -7.065 1.00 54.31 C ATOM 154 CG ASN A 10 -5.508 -6.231 -7.593 1.00 71.12 C ATOM 155 OD1 ASN A 10 -6.398 -5.915 -8.379 1.00 24.44 O ATOM 156 ND2 ASN A 10 -5.329 -7.486 -7.226 1.00 52.11 N ATOM 0 H ASN A 10 -4.762 -2.071 -7.142 1.00 44.14 H new ATOM 0 HA ASN A 10 -6.166 -3.798 -7.152 1.00 15.51 H new ATOM 0 HB2 ASN A 10 -3.899 -4.834 -7.869 1.00 54.31 H new ATOM 0 HB3 ASN A 10 -3.919 -5.599 -6.293 1.00 54.31 H new ATOM 0 HD21 ASN A 10 -5.936 -8.217 -7.596 1.00 52.11 H new ATOM 0 HD22 ASN A 10 -4.583 -7.725 -6.572 1.00 52.11 H new ATOM 163 N LEU A 11 -6.316 -3.129 -4.443 1.00 4.34 N ATOM 164 CA LEU A 11 -7.049 -3.197 -3.193 1.00 62.11 C ATOM 165 C LEU A 11 -8.519 -3.274 -3.594 1.00 62.34 C ATOM 166 O LEU A 11 -8.967 -2.497 -4.439 1.00 43.34 O ATOM 167 CB LEU A 11 -6.744 -1.962 -2.335 1.00 61.34 C ATOM 168 CG LEU A 11 -5.258 -1.839 -1.928 1.00 35.41 C ATOM 169 CD1 LEU A 11 -4.934 -0.406 -1.528 1.00 71.14 C ATOM 170 CD2 LEU A 11 -4.890 -2.718 -0.735 1.00 32.02 C ATOM 0 H LEU A 11 -6.154 -2.177 -4.772 1.00 4.34 H new ATOM 0 HA LEU A 11 -6.770 -4.058 -2.586 1.00 62.11 H new ATOM 0 HB2 LEU A 11 -7.036 -1.067 -2.885 1.00 61.34 H new ATOM 0 HB3 LEU A 11 -7.357 -1.996 -1.434 1.00 61.34 H new ATOM 0 HG LEU A 11 -4.690 -2.159 -2.802 1.00 35.41 H new ATOM 0 HD11 LEU A 11 -3.884 -0.336 -1.244 1.00 71.14 H new ATOM 0 HD12 LEU A 11 -5.128 0.259 -2.369 1.00 71.14 H new ATOM 0 HD13 LEU A 11 -5.558 -0.114 -0.684 1.00 71.14 H new ATOM 0 HD21 LEU A 11 -3.834 -2.587 -0.498 1.00 32.02 H new ATOM 0 HD22 LEU A 11 -5.493 -2.433 0.127 1.00 32.02 H new ATOM 0 HD23 LEU A 11 -5.080 -3.763 -0.981 1.00 32.02 H new ATOM 182 N ASN A 12 -9.253 -4.231 -3.030 1.00 15.24 N ATOM 183 CA ASN A 12 -10.657 -4.444 -3.370 1.00 20.40 C ATOM 184 C ASN A 12 -11.516 -3.337 -2.757 1.00 24.33 C ATOM 185 O ASN A 12 -11.131 -2.768 -1.728 1.00 63.41 O ATOM 186 CB ASN A 12 -11.137 -5.818 -2.850 1.00 72.04 C ATOM 187 CG ASN A 12 -11.315 -6.876 -3.934 1.00 4.22 C ATOM 188 OD1 ASN A 12 -10.973 -6.698 -5.099 1.00 23.32 O ATOM 189 ND2 ASN A 12 -11.812 -8.027 -3.555 1.00 14.20 N ATOM 0 H ASN A 12 -8.893 -4.877 -2.328 1.00 15.24 H new ATOM 0 HA ASN A 12 -10.757 -4.422 -4.455 1.00 20.40 H new ATOM 0 HB2 ASN A 12 -10.420 -6.185 -2.115 1.00 72.04 H new ATOM 0 HB3 ASN A 12 -12.086 -5.685 -2.330 1.00 72.04 H new ATOM 0 HD21 ASN A 12 -11.917 -8.784 -4.230 1.00 14.20 H new ATOM 0 HD22 ASN A 12 -12.094 -8.166 -2.585 1.00 14.20 H new ATOM 196 N PRO A 13 -12.726 -3.111 -3.287 1.00 54.11 N ATOM 197 CA PRO A 13 -13.686 -2.166 -2.736 1.00 75.02 C ATOM 198 C PRO A 13 -14.050 -2.498 -1.285 1.00 15.24 C ATOM 199 O PRO A 13 -14.069 -1.595 -0.449 1.00 22.21 O ATOM 200 CB PRO A 13 -14.884 -2.199 -3.696 1.00 63.04 C ATOM 201 CG PRO A 13 -14.736 -3.492 -4.490 1.00 4.52 C ATOM 202 CD PRO A 13 -13.235 -3.711 -4.508 1.00 71.25 C ATOM 0 HA PRO A 13 -13.279 -1.157 -2.671 1.00 75.02 H new ATOM 0 HB2 PRO A 13 -15.826 -2.181 -3.148 1.00 63.04 H new ATOM 0 HB3 PRO A 13 -14.882 -1.331 -4.356 1.00 63.04 H new ATOM 0 HG2 PRO A 13 -15.259 -4.321 -4.013 1.00 4.52 H new ATOM 0 HG3 PRO A 13 -15.142 -3.396 -5.497 1.00 4.52 H new ATOM 0 HD2 PRO A 13 -12.997 -4.774 -4.549 1.00 71.25 H new ATOM 0 HD3 PRO A 13 -12.784 -3.249 -5.386 1.00 71.25 H new ATOM 210 N HIS A 14 -14.256 -3.784 -0.974 1.00 40.12 N ATOM 211 CA HIS A 14 -14.560 -4.282 0.368 1.00 52.32 C ATOM 212 C HIS A 14 -13.401 -4.139 1.364 1.00 62.34 C ATOM 213 O HIS A 14 -13.613 -4.285 2.570 1.00 71.23 O ATOM 214 CB HIS A 14 -14.916 -5.772 0.274 1.00 75.02 C ATOM 215 CG HIS A 14 -16.347 -6.051 -0.090 1.00 71.45 C ATOM 216 ND1 HIS A 14 -17.332 -6.418 0.795 1.00 41.31 N ATOM 217 CD2 HIS A 14 -16.888 -6.063 -1.347 1.00 3.23 C ATOM 218 CE1 HIS A 14 -18.440 -6.662 0.082 1.00 33.10 C ATOM 219 NE2 HIS A 14 -18.217 -6.481 -1.230 1.00 71.03 N ATOM 0 H HIS A 14 -14.214 -4.527 -1.672 1.00 40.12 H new ATOM 0 HA HIS A 14 -15.385 -3.675 0.740 1.00 52.32 H new ATOM 0 HB2 HIS A 14 -14.268 -6.241 -0.467 1.00 75.02 H new ATOM 0 HB3 HIS A 14 -14.699 -6.245 1.232 1.00 75.02 H new ATOM 0 HD2 HIS A 14 -16.381 -5.798 -2.263 1.00 3.23 H new ATOM 0 HE1 HIS A 14 -19.386 -6.964 0.506 1.00 33.10 H new ATOM 0 HE2 HIS A 14 -18.884 -6.621 -1.989 1.00 71.03 H new ATOM 227 N SER A 15 -12.163 -3.926 0.908 1.00 11.30 N ATOM 228 CA SER A 15 -11.043 -3.756 1.826 1.00 43.34 C ATOM 229 C SER A 15 -11.161 -2.407 2.548 1.00 61.05 C ATOM 230 O SER A 15 -11.967 -1.558 2.165 1.00 75.12 O ATOM 231 CB SER A 15 -9.740 -3.861 1.031 1.00 54.41 C ATOM 232 OG SER A 15 -9.722 -5.070 0.291 1.00 24.33 O ATOM 0 H SER A 15 -11.917 -3.868 -0.080 1.00 11.30 H new ATOM 0 HA SER A 15 -11.050 -4.535 2.588 1.00 43.34 H new ATOM 0 HB2 SER A 15 -9.646 -3.010 0.356 1.00 54.41 H new ATOM 0 HB3 SER A 15 -8.887 -3.826 1.708 1.00 54.41 H new ATOM 0 HG SER A 15 -9.467 -5.810 0.880 1.00 24.33 H new ATOM 238 N THR A 16 -10.299 -2.150 3.528 1.00 44.33 N ATOM 239 CA THR A 16 -10.111 -0.814 4.066 1.00 22.42 C ATOM 240 C THR A 16 -8.606 -0.559 4.045 1.00 20.41 C ATOM 241 O THR A 16 -8.107 -0.117 3.010 1.00 2.14 O ATOM 242 CB THR A 16 -10.920 -0.646 5.377 1.00 3.52 C ATOM 243 OG1 THR A 16 -10.559 0.537 6.064 1.00 62.04 O ATOM 244 CG2 THR A 16 -10.892 -1.835 6.348 1.00 33.43 C ATOM 0 H THR A 16 -9.715 -2.862 3.967 1.00 44.33 H new ATOM 0 HA THR A 16 -10.535 0.002 3.481 1.00 22.42 H new ATOM 0 HB THR A 16 -11.950 -0.586 5.025 1.00 3.52 H new ATOM 0 HG1 THR A 16 -11.089 0.613 6.885 1.00 62.04 H new ATOM 0 HG21 THR A 16 -11.492 -1.601 7.227 1.00 33.43 H new ATOM 0 HG22 THR A 16 -11.300 -2.717 5.855 1.00 33.43 H new ATOM 0 HG23 THR A 16 -9.864 -2.032 6.653 1.00 33.43 H new ATOM 252 N MET A 17 -7.849 -0.960 5.065 1.00 74.23 N ATOM 253 CA MET A 17 -6.384 -1.011 5.009 1.00 31.40 C ATOM 254 C MET A 17 -5.870 -1.948 6.076 1.00 72.23 C ATOM 255 O MET A 17 -4.987 -2.747 5.792 1.00 0.31 O ATOM 256 CB MET A 17 -5.754 0.381 5.158 1.00 62.43 C ATOM 257 CG MET A 17 -5.946 1.075 6.507 1.00 64.35 C ATOM 258 SD MET A 17 -6.214 2.862 6.419 1.00 74.35 S ATOM 259 CE MET A 17 -7.979 2.885 5.998 1.00 44.41 C ATOM 0 H MET A 17 -8.235 -1.261 5.960 1.00 74.23 H new ATOM 0 HA MET A 17 -6.095 -1.386 4.027 1.00 31.40 H new ATOM 0 HB2 MET A 17 -4.684 0.294 4.968 1.00 62.43 H new ATOM 0 HB3 MET A 17 -6.164 1.026 4.381 1.00 62.43 H new ATOM 0 HG2 MET A 17 -6.797 0.620 7.014 1.00 64.35 H new ATOM 0 HG3 MET A 17 -5.068 0.885 7.124 1.00 64.35 H new ATOM 0 HE1 MET A 17 -8.317 3.917 5.903 1.00 44.41 H new ATOM 0 HE2 MET A 17 -8.135 2.364 5.053 1.00 44.41 H new ATOM 0 HE3 MET A 17 -8.547 2.388 6.784 1.00 44.41 H new ATOM 269 N ASP A 18 -6.458 -1.918 7.271 1.00 24.02 N ATOM 270 CA ASP A 18 -6.028 -2.791 8.353 1.00 53.14 C ATOM 271 C ASP A 18 -6.242 -4.264 8.006 1.00 32.22 C ATOM 272 O ASP A 18 -5.473 -5.119 8.441 1.00 52.25 O ATOM 273 CB ASP A 18 -6.753 -2.421 9.635 1.00 34.02 C ATOM 274 CG ASP A 18 -6.189 -3.247 10.780 1.00 15.20 C ATOM 275 OD1 ASP A 18 -4.967 -3.173 11.014 1.00 73.21 O ATOM 276 OD2 ASP A 18 -6.965 -3.967 11.452 1.00 2.13 O ATOM 0 H ASP A 18 -7.232 -1.298 7.511 1.00 24.02 H new ATOM 0 HA ASP A 18 -4.957 -2.650 8.501 1.00 53.14 H new ATOM 0 HB2 ASP A 18 -6.632 -1.358 9.843 1.00 34.02 H new ATOM 0 HB3 ASP A 18 -7.822 -2.605 9.529 1.00 34.02 H new ATOM 281 N SER A 19 -7.201 -4.543 7.117 1.00 73.24 N ATOM 282 CA SER A 19 -7.424 -5.844 6.497 1.00 15.54 C ATOM 283 C SER A 19 -6.114 -6.409 5.940 1.00 4.22 C ATOM 284 O SER A 19 -5.806 -7.583 6.101 1.00 63.23 O ATOM 285 CB SER A 19 -8.430 -5.695 5.342 1.00 15.34 C ATOM 286 OG SER A 19 -9.279 -4.559 5.453 1.00 34.23 O ATOM 0 H SER A 19 -7.867 -3.838 6.800 1.00 73.24 H new ATOM 0 HA SER A 19 -7.813 -6.525 7.254 1.00 15.54 H new ATOM 0 HB2 SER A 19 -7.881 -5.634 4.402 1.00 15.34 H new ATOM 0 HB3 SER A 19 -9.047 -6.593 5.294 1.00 15.34 H new ATOM 0 HG SER A 19 -10.073 -4.688 4.894 1.00 34.23 H new ATOM 292 N ILE A 20 -5.334 -5.550 5.289 1.00 21.12 N ATOM 293 CA ILE A 20 -4.078 -5.875 4.652 1.00 22.30 C ATOM 294 C ILE A 20 -2.963 -5.753 5.683 1.00 20.30 C ATOM 295 O ILE A 20 -2.157 -6.666 5.806 1.00 62.42 O ATOM 296 CB ILE A 20 -3.897 -4.960 3.418 1.00 64.44 C ATOM 297 CG1 ILE A 20 -5.102 -5.091 2.452 1.00 31.03 C ATOM 298 CG2 ILE A 20 -2.591 -5.257 2.663 1.00 22.42 C ATOM 299 CD1 ILE A 20 -6.005 -3.855 2.469 1.00 3.20 C ATOM 0 H ILE A 20 -5.579 -4.565 5.191 1.00 21.12 H new ATOM 0 HA ILE A 20 -4.055 -6.901 4.286 1.00 22.30 H new ATOM 0 HB ILE A 20 -3.844 -3.937 3.791 1.00 64.44 H new ATOM 0 HG12 ILE A 20 -4.735 -5.255 1.439 1.00 31.03 H new ATOM 0 HG13 ILE A 20 -5.688 -5.969 2.724 1.00 31.03 H new ATOM 0 HG21 ILE A 20 -2.507 -4.590 1.805 1.00 22.42 H new ATOM 0 HG22 ILE A 20 -1.742 -5.100 3.329 1.00 22.42 H new ATOM 0 HG23 ILE A 20 -2.596 -6.292 2.320 1.00 22.42 H new ATOM 0 HD11 ILE A 20 -6.833 -4.000 1.775 1.00 3.20 H new ATOM 0 HD12 ILE A 20 -6.397 -3.705 3.475 1.00 3.20 H new ATOM 0 HD13 ILE A 20 -5.429 -2.979 2.169 1.00 3.20 H new ATOM 311 N LEU A 21 -2.907 -4.648 6.426 1.00 53.35 N ATOM 312 CA LEU A 21 -1.743 -4.304 7.232 1.00 35.24 C ATOM 313 C LEU A 21 -1.478 -5.285 8.366 1.00 23.33 C ATOM 314 O LEU A 21 -0.325 -5.415 8.767 1.00 12.20 O ATOM 315 CB LEU A 21 -1.932 -2.913 7.864 1.00 32.43 C ATOM 316 CG LEU A 21 -1.904 -1.745 6.871 1.00 75.23 C ATOM 317 CD1 LEU A 21 -2.405 -0.471 7.556 1.00 35.24 C ATOM 318 CD2 LEU A 21 -0.491 -1.512 6.341 1.00 43.45 C ATOM 0 H LEU A 21 -3.667 -3.970 6.484 1.00 53.35 H new ATOM 0 HA LEU A 21 -0.894 -4.330 6.549 1.00 35.24 H new ATOM 0 HB2 LEU A 21 -2.884 -2.897 8.395 1.00 32.43 H new ATOM 0 HB3 LEU A 21 -1.150 -2.758 8.607 1.00 32.43 H new ATOM 0 HG LEU A 21 -2.554 -1.995 6.032 1.00 75.23 H new ATOM 0 HD11 LEU A 21 -2.383 0.356 6.847 1.00 35.24 H new ATOM 0 HD12 LEU A 21 -3.426 -0.623 7.905 1.00 35.24 H new ATOM 0 HD13 LEU A 21 -1.763 -0.238 8.405 1.00 35.24 H new ATOM 0 HD21 LEU A 21 -0.499 -0.678 5.639 1.00 43.45 H new ATOM 0 HD22 LEU A 21 0.176 -1.281 7.172 1.00 43.45 H new ATOM 0 HD23 LEU A 21 -0.140 -2.411 5.834 1.00 43.45 H new ATOM 330 N GLY A 22 -2.510 -5.945 8.898 1.00 20.14 N ATOM 331 CA GLY A 22 -2.337 -6.922 9.966 1.00 52.31 C ATOM 332 C GLY A 22 -2.279 -8.357 9.460 1.00 42.42 C ATOM 333 O GLY A 22 -2.346 -9.277 10.277 1.00 61.23 O ATOM 0 H GLY A 22 -3.478 -5.817 8.602 1.00 20.14 H new ATOM 0 HA2 GLY A 22 -1.420 -6.698 10.510 1.00 52.31 H new ATOM 0 HA3 GLY A 22 -3.160 -6.826 10.675 1.00 52.31 H new ATOM 337 N ALA A 23 -2.098 -8.545 8.151 1.00 24.30 N ATOM 338 CA ALA A 23 -1.932 -9.831 7.496 1.00 42.35 C ATOM 339 C ALA A 23 -0.623 -9.795 6.713 1.00 51.54 C ATOM 340 O ALA A 23 0.335 -10.504 7.017 1.00 61.25 O ATOM 341 CB ALA A 23 -3.134 -10.087 6.570 1.00 4.51 C ATOM 0 H ALA A 23 -2.063 -7.765 7.495 1.00 24.30 H new ATOM 0 HA ALA A 23 -1.891 -10.643 8.222 1.00 42.35 H new ATOM 0 HB1 ALA A 23 -3.014 -11.051 6.076 1.00 4.51 H new ATOM 0 HB2 ALA A 23 -4.052 -10.092 7.158 1.00 4.51 H new ATOM 0 HB3 ALA A 23 -3.189 -9.299 5.819 1.00 4.51 H new ATOM 347 N LEU A 24 -0.578 -8.925 5.707 1.00 43.32 N ATOM 348 CA LEU A 24 0.437 -8.834 4.674 1.00 35.12 C ATOM 349 C LEU A 24 1.571 -7.918 5.130 1.00 11.13 C ATOM 350 O LEU A 24 2.068 -7.073 4.379 1.00 40.15 O ATOM 351 CB LEU A 24 -0.259 -8.359 3.387 1.00 54.44 C ATOM 352 CG LEU A 24 0.492 -8.561 2.046 1.00 31.44 C ATOM 353 CD1 LEU A 24 0.838 -7.220 1.389 1.00 74.32 C ATOM 354 CD2 LEU A 24 1.722 -9.486 2.125 1.00 11.50 C ATOM 0 H LEU A 24 -1.303 -8.218 5.589 1.00 43.32 H new ATOM 0 HA LEU A 24 0.904 -9.799 4.476 1.00 35.12 H new ATOM 0 HB2 LEU A 24 -1.218 -8.872 3.315 1.00 54.44 H new ATOM 0 HB3 LEU A 24 -0.474 -7.296 3.494 1.00 54.44 H new ATOM 0 HG LEU A 24 -0.214 -9.091 1.407 1.00 31.44 H new ATOM 0 HD11 LEU A 24 1.364 -7.399 0.451 1.00 74.32 H new ATOM 0 HD12 LEU A 24 -0.079 -6.665 1.191 1.00 74.32 H new ATOM 0 HD13 LEU A 24 1.475 -6.641 2.057 1.00 74.32 H new ATOM 0 HD21 LEU A 24 2.181 -9.566 1.140 1.00 11.50 H new ATOM 0 HD22 LEU A 24 2.444 -9.072 2.829 1.00 11.50 H new ATOM 0 HD23 LEU A 24 1.412 -10.475 2.462 1.00 11.50 H new ATOM 366 N ALA A 25 2.027 -8.094 6.366 1.00 71.12 N ATOM 367 CA ALA A 25 3.215 -7.424 6.858 1.00 51.34 C ATOM 368 C ALA A 25 4.290 -8.412 7.345 1.00 41.42 C ATOM 369 O ALA A 25 4.802 -8.244 8.449 1.00 61.52 O ATOM 370 CB ALA A 25 2.755 -6.444 7.921 1.00 75.54 C ATOM 0 H ALA A 25 1.581 -8.705 7.050 1.00 71.12 H new ATOM 0 HA ALA A 25 3.717 -6.882 6.056 1.00 51.34 H new ATOM 0 HB1 ALA A 25 3.617 -5.913 8.324 1.00 75.54 H new ATOM 0 HB2 ALA A 25 2.061 -5.728 7.480 1.00 75.54 H new ATOM 0 HB3 ALA A 25 2.256 -6.986 8.724 1.00 75.54 H new ATOM 376 N PRO A 26 4.719 -9.391 6.524 1.00 40.02 N ATOM 377 CA PRO A 26 5.860 -10.233 6.860 1.00 60.32 C ATOM 378 C PRO A 26 7.209 -9.508 6.757 1.00 15.00 C ATOM 379 O PRO A 26 8.187 -10.013 7.313 1.00 32.23 O ATOM 380 CB PRO A 26 5.817 -11.405 5.874 1.00 21.42 C ATOM 381 CG PRO A 26 5.066 -10.844 4.673 1.00 35.41 C ATOM 382 CD PRO A 26 4.088 -9.872 5.305 1.00 12.02 C ATOM 0 HA PRO A 26 5.785 -10.548 7.901 1.00 60.32 H new ATOM 0 HB2 PRO A 26 6.819 -11.734 5.600 1.00 21.42 H new ATOM 0 HB3 PRO A 26 5.303 -12.267 6.300 1.00 21.42 H new ATOM 0 HG2 PRO A 26 5.737 -10.344 3.975 1.00 35.41 H new ATOM 0 HG3 PRO A 26 4.553 -11.628 4.116 1.00 35.41 H new ATOM 0 HD2 PRO A 26 3.869 -9.046 4.629 1.00 12.02 H new ATOM 0 HD3 PRO A 26 3.140 -10.363 5.526 1.00 12.02 H new ATOM 390 N TYR A 27 7.287 -8.372 6.046 1.00 52.04 N ATOM 391 CA TYR A 27 8.550 -7.680 5.762 1.00 40.41 C ATOM 392 C TYR A 27 8.506 -6.186 6.094 1.00 72.51 C ATOM 393 O TYR A 27 9.551 -5.593 6.340 1.00 21.22 O ATOM 394 CB TYR A 27 8.938 -7.872 4.285 1.00 52.22 C ATOM 395 CG TYR A 27 8.877 -9.304 3.792 1.00 21.10 C ATOM 396 CD1 TYR A 27 7.917 -9.690 2.838 1.00 3.04 C ATOM 397 CD2 TYR A 27 9.761 -10.260 4.317 1.00 42.23 C ATOM 398 CE1 TYR A 27 7.817 -11.032 2.436 1.00 71.52 C ATOM 399 CE2 TYR A 27 9.671 -11.603 3.914 1.00 12.14 C ATOM 400 CZ TYR A 27 8.694 -11.995 2.977 1.00 75.34 C ATOM 401 OH TYR A 27 8.569 -13.299 2.614 1.00 75.54 O ATOM 0 H TYR A 27 6.470 -7.907 5.651 1.00 52.04 H new ATOM 0 HA TYR A 27 9.302 -8.128 6.411 1.00 40.41 H new ATOM 0 HB2 TYR A 27 8.278 -7.262 3.668 1.00 52.22 H new ATOM 0 HB3 TYR A 27 9.950 -7.495 4.138 1.00 52.22 H new ATOM 0 HD1 TYR A 27 7.254 -8.951 2.413 1.00 3.04 H new ATOM 0 HD2 TYR A 27 10.513 -9.962 5.033 1.00 42.23 H new ATOM 0 HE1 TYR A 27 7.070 -11.326 1.714 1.00 71.52 H new ATOM 0 HE2 TYR A 27 10.351 -12.336 4.323 1.00 12.14 H new ATOM 0 HH TYR A 27 9.249 -13.833 3.074 1.00 75.54 H new ATOM 411 N ALA A 28 7.327 -5.558 6.096 1.00 55.02 N ATOM 412 CA ALA A 28 7.165 -4.151 6.437 1.00 74.53 C ATOM 413 C ALA A 28 5.800 -3.983 7.084 1.00 53.45 C ATOM 414 O ALA A 28 4.777 -4.235 6.435 1.00 62.33 O ATOM 415 CB ALA A 28 7.294 -3.281 5.182 1.00 42.32 C ATOM 0 H ALA A 28 6.451 -6.022 5.857 1.00 55.02 H new ATOM 0 HA ALA A 28 7.943 -3.833 7.131 1.00 74.53 H new ATOM 0 HB1 ALA A 28 7.171 -2.232 5.452 1.00 42.32 H new ATOM 0 HB2 ALA A 28 8.278 -3.428 4.737 1.00 42.32 H new ATOM 0 HB3 ALA A 28 6.525 -3.563 4.463 1.00 42.32 H new ATOM 421 N VAL A 29 5.786 -3.586 8.354 1.00 31.51 N ATOM 422 CA VAL A 29 4.569 -3.367 9.115 1.00 0.33 C ATOM 423 C VAL A 29 4.389 -1.856 9.251 1.00 55.11 C ATOM 424 O VAL A 29 5.002 -1.238 10.126 1.00 54.12 O ATOM 425 CB VAL A 29 4.630 -4.075 10.484 1.00 52.41 C ATOM 426 CG1 VAL A 29 3.278 -3.952 11.198 1.00 21.13 C ATOM 427 CG2 VAL A 29 5.006 -5.558 10.459 1.00 54.15 C ATOM 0 H VAL A 29 6.636 -3.406 8.888 1.00 31.51 H new ATOM 0 HA VAL A 29 3.708 -3.797 8.602 1.00 0.33 H new ATOM 0 HB VAL A 29 5.436 -3.561 11.008 1.00 52.41 H new ATOM 0 HG11 VAL A 29 3.330 -4.455 12.164 1.00 21.13 H new ATOM 0 HG12 VAL A 29 3.041 -2.899 11.349 1.00 21.13 H new ATOM 0 HG13 VAL A 29 2.502 -4.415 10.589 1.00 21.13 H new ATOM 0 HG21 VAL A 29 5.017 -5.948 11.477 1.00 54.15 H new ATOM 0 HG22 VAL A 29 4.275 -6.109 9.867 1.00 54.15 H new ATOM 0 HG23 VAL A 29 5.995 -5.675 10.015 1.00 54.15 H new ATOM 437 N LEU A 30 3.590 -1.254 8.368 1.00 53.15 N ATOM 438 CA LEU A 30 3.212 0.148 8.502 1.00 71.24 C ATOM 439 C LEU A 30 2.132 0.311 9.579 1.00 53.02 C ATOM 440 O LEU A 30 1.440 -0.661 9.913 1.00 53.12 O ATOM 441 CB LEU A 30 2.667 0.703 7.175 1.00 44.42 C ATOM 442 CG LEU A 30 3.564 0.655 5.928 1.00 13.11 C ATOM 443 CD1 LEU A 30 5.035 0.947 6.222 1.00 12.11 C ATOM 444 CD2 LEU A 30 3.452 -0.617 5.091 1.00 72.55 C ATOM 0 H LEU A 30 3.193 -1.719 7.552 1.00 53.15 H new ATOM 0 HA LEU A 30 4.107 0.702 8.785 1.00 71.24 H new ATOM 0 HB2 LEU A 30 1.750 0.162 6.943 1.00 44.42 H new ATOM 0 HB3 LEU A 30 2.389 1.744 7.342 1.00 44.42 H new ATOM 0 HG LEU A 30 3.158 1.466 5.323 1.00 13.11 H new ATOM 0 HD11 LEU A 30 5.608 0.896 5.296 1.00 12.11 H new ATOM 0 HD12 LEU A 30 5.129 1.944 6.652 1.00 12.11 H new ATOM 0 HD13 LEU A 30 5.418 0.210 6.927 1.00 12.11 H new ATOM 0 HD21 LEU A 30 4.125 -0.550 4.236 1.00 72.55 H new ATOM 0 HD22 LEU A 30 3.724 -1.479 5.700 1.00 72.55 H new ATOM 0 HD23 LEU A 30 2.427 -0.731 4.738 1.00 72.55 H new ATOM 456 N SER A 31 1.910 1.542 10.052 1.00 3.30 N ATOM 457 CA SER A 31 0.631 1.934 10.640 1.00 1.33 C ATOM 458 C SER A 31 -0.368 2.344 9.553 1.00 23.41 C ATOM 459 O SER A 31 0.006 2.736 8.445 1.00 62.03 O ATOM 460 CB SER A 31 0.797 3.109 11.612 1.00 12.02 C ATOM 461 OG SER A 31 1.163 2.700 12.913 1.00 31.53 O ATOM 0 H SER A 31 2.607 2.287 10.037 1.00 3.30 H new ATOM 0 HA SER A 31 0.255 1.066 11.182 1.00 1.33 H new ATOM 0 HB2 SER A 31 1.555 3.790 11.224 1.00 12.02 H new ATOM 0 HB3 SER A 31 -0.138 3.667 11.662 1.00 12.02 H new ATOM 0 HG SER A 31 1.257 3.487 13.489 1.00 31.53 H new ATOM 467 N SER A 32 -1.659 2.342 9.903 1.00 63.11 N ATOM 468 CA SER A 32 -2.737 2.838 9.053 1.00 33.34 C ATOM 469 C SER A 32 -2.582 4.318 8.700 1.00 35.00 C ATOM 470 O SER A 32 -3.057 4.763 7.658 1.00 41.45 O ATOM 471 CB SER A 32 -4.087 2.586 9.736 1.00 23.34 C ATOM 472 OG SER A 32 -4.241 3.321 10.942 1.00 24.43 O ATOM 0 H SER A 32 -1.986 1.988 10.802 1.00 63.11 H new ATOM 0 HA SER A 32 -2.689 2.290 8.112 1.00 33.34 H new ATOM 0 HB2 SER A 32 -4.891 2.851 9.049 1.00 23.34 H new ATOM 0 HB3 SER A 32 -4.188 1.522 9.949 1.00 23.34 H new ATOM 0 HG SER A 32 -5.117 3.125 11.335 1.00 24.43 H new ATOM 478 N SER A 33 -1.938 5.096 9.559 1.00 43.23 N ATOM 479 CA SER A 33 -1.681 6.512 9.352 1.00 72.14 C ATOM 480 C SER A 33 -0.706 6.747 8.199 1.00 60.14 C ATOM 481 O SER A 33 -0.809 7.750 7.489 1.00 3.12 O ATOM 482 CB SER A 33 -1.110 7.073 10.653 1.00 34.03 C ATOM 483 OG SER A 33 -0.215 6.151 11.242 1.00 71.31 O ATOM 0 H SER A 33 -1.570 4.748 10.444 1.00 43.23 H new ATOM 0 HA SER A 33 -2.610 7.016 9.085 1.00 72.14 H new ATOM 0 HB2 SER A 33 -0.594 8.013 10.455 1.00 34.03 H new ATOM 0 HB3 SER A 33 -1.921 7.295 11.347 1.00 34.03 H new ATOM 0 HG SER A 33 0.142 6.527 12.073 1.00 71.31 H new ATOM 489 N ASN A 34 0.242 5.826 8.010 1.00 4.53 N ATOM 490 CA ASN A 34 1.206 5.872 6.919 1.00 1.41 C ATOM 491 C ASN A 34 0.535 5.510 5.609 1.00 35.43 C ATOM 492 O ASN A 34 1.075 5.867 4.570 1.00 33.40 O ATOM 493 CB ASN A 34 2.363 4.886 7.144 1.00 51.01 C ATOM 494 CG ASN A 34 3.113 5.201 8.417 1.00 12.13 C ATOM 495 OD1 ASN A 34 2.633 4.891 9.497 1.00 42.11 O ATOM 496 ND2 ASN A 34 4.247 5.866 8.323 1.00 64.44 N ATOM 0 H ASN A 34 0.359 5.018 8.621 1.00 4.53 H new ATOM 0 HA ASN A 34 1.598 6.889 6.884 1.00 1.41 H new ATOM 0 HB2 ASN A 34 1.973 3.869 7.191 1.00 51.01 H new ATOM 0 HB3 ASN A 34 3.048 4.926 6.297 1.00 51.01 H new ATOM 0 HD21 ASN A 34 4.751 6.137 9.167 1.00 64.44 H new ATOM 0 HD22 ASN A 34 4.621 6.110 7.406 1.00 64.44 H new ATOM 503 N VAL A 35 -0.592 4.788 5.646 1.00 32.43 N ATOM 504 CA VAL A 35 -1.258 4.234 4.479 1.00 24.40 C ATOM 505 C VAL A 35 -2.548 5.003 4.222 1.00 52.54 C ATOM 506 O VAL A 35 -3.640 4.661 4.684 1.00 12.20 O ATOM 507 CB VAL A 35 -1.399 2.706 4.598 1.00 42.11 C ATOM 508 CG1 VAL A 35 -2.001 2.131 3.310 1.00 42.44 C ATOM 509 CG2 VAL A 35 -0.007 2.082 4.812 1.00 12.21 C ATOM 0 H VAL A 35 -1.073 4.571 6.519 1.00 32.43 H new ATOM 0 HA VAL A 35 -0.653 4.369 3.582 1.00 24.40 H new ATOM 0 HB VAL A 35 -2.051 2.476 5.440 1.00 42.11 H new ATOM 0 HG11 VAL A 35 -2.097 1.049 3.404 1.00 42.44 H new ATOM 0 HG12 VAL A 35 -2.985 2.569 3.141 1.00 42.44 H new ATOM 0 HG13 VAL A 35 -1.350 2.366 2.468 1.00 42.44 H new ATOM 0 HG21 VAL A 35 -0.103 1.000 4.897 1.00 12.21 H new ATOM 0 HG22 VAL A 35 0.635 2.324 3.965 1.00 12.21 H new ATOM 0 HG23 VAL A 35 0.434 2.480 5.726 1.00 12.21 H new ATOM 519 N ARG A 36 -2.404 6.072 3.444 1.00 34.42 N ATOM 520 CA ARG A 36 -3.504 6.870 2.932 1.00 20.33 C ATOM 521 C ARG A 36 -4.350 6.034 1.973 1.00 14.14 C ATOM 522 O ARG A 36 -3.901 5.738 0.869 1.00 64.43 O ATOM 523 CB ARG A 36 -2.935 8.151 2.290 1.00 21.32 C ATOM 524 CG ARG A 36 -2.939 9.338 3.261 1.00 22.01 C ATOM 525 CD ARG A 36 -4.379 9.801 3.508 1.00 1.21 C ATOM 526 NE ARG A 36 -4.440 11.026 4.317 1.00 12.54 N ATOM 527 CZ ARG A 36 -5.561 11.669 4.659 1.00 32.14 C ATOM 528 NH1 ARG A 36 -6.739 11.290 4.174 1.00 60.23 N ATOM 529 NH2 ARG A 36 -5.506 12.685 5.503 1.00 73.03 N ATOM 0 H ARG A 36 -1.490 6.414 3.146 1.00 34.42 H new ATOM 0 HA ARG A 36 -4.171 7.179 3.737 1.00 20.33 H new ATOM 0 HB2 ARG A 36 -1.916 7.964 1.952 1.00 21.32 H new ATOM 0 HB3 ARG A 36 -3.522 8.404 1.407 1.00 21.32 H new ATOM 0 HG2 ARG A 36 -2.473 9.050 4.203 1.00 22.01 H new ATOM 0 HG3 ARG A 36 -2.349 10.157 2.851 1.00 22.01 H new ATOM 0 HD2 ARG A 36 -4.871 9.975 2.551 1.00 1.21 H new ATOM 0 HD3 ARG A 36 -4.932 9.008 4.011 1.00 1.21 H new ATOM 0 HE ARG A 36 -3.556 11.417 4.644 1.00 12.54 H new ATOM 0 HH11 ARG A 36 -6.796 10.499 3.532 1.00 60.23 H new ATOM 0 HH12 ARG A 36 -7.586 11.790 4.444 1.00 60.23 H new ATOM 0 HH21 ARG A 36 -4.609 12.977 5.892 1.00 73.03 H new ATOM 0 HH22 ARG A 36 -6.360 13.177 5.765 1.00 73.03 H new ATOM 543 N VAL A 37 -5.567 5.671 2.376 1.00 62.45 N ATOM 544 CA VAL A 37 -6.601 5.070 1.536 1.00 64.14 C ATOM 545 C VAL A 37 -7.700 6.107 1.368 1.00 75.45 C ATOM 546 O VAL A 37 -8.416 6.424 2.317 1.00 60.32 O ATOM 547 CB VAL A 37 -7.127 3.752 2.144 1.00 62.25 C ATOM 548 CG1 VAL A 37 -8.133 3.053 1.215 1.00 60.23 C ATOM 549 CG2 VAL A 37 -5.961 2.789 2.376 1.00 63.31 C ATOM 0 H VAL A 37 -5.872 5.794 3.341 1.00 62.45 H new ATOM 0 HA VAL A 37 -6.196 4.798 0.561 1.00 64.14 H new ATOM 0 HB VAL A 37 -7.623 4.007 3.080 1.00 62.25 H new ATOM 0 HG11 VAL A 37 -8.478 2.130 1.681 1.00 60.23 H new ATOM 0 HG12 VAL A 37 -8.984 3.711 1.039 1.00 60.23 H new ATOM 0 HG13 VAL A 37 -7.651 2.822 0.265 1.00 60.23 H new ATOM 0 HG21 VAL A 37 -6.336 1.860 2.805 1.00 63.31 H new ATOM 0 HG22 VAL A 37 -5.469 2.577 1.426 1.00 63.31 H new ATOM 0 HG23 VAL A 37 -5.245 3.243 3.062 1.00 63.31 H new ATOM 559 N ILE A 38 -7.817 6.698 0.183 1.00 71.41 N ATOM 560 CA ILE A 38 -8.971 7.505 -0.190 1.00 55.52 C ATOM 561 C ILE A 38 -10.165 6.552 -0.261 1.00 72.24 C ATOM 562 O ILE A 38 -10.149 5.601 -1.054 1.00 35.02 O ATOM 563 CB ILE A 38 -8.731 8.212 -1.544 1.00 72.35 C ATOM 564 CG1 ILE A 38 -7.447 9.069 -1.572 1.00 62.01 C ATOM 565 CG2 ILE A 38 -9.953 9.074 -1.917 1.00 60.02 C ATOM 566 CD1 ILE A 38 -7.037 9.415 -3.006 1.00 15.44 C ATOM 0 H ILE A 38 -7.109 6.629 -0.549 1.00 71.41 H new ATOM 0 HA ILE A 38 -9.154 8.294 0.540 1.00 55.52 H new ATOM 0 HB ILE A 38 -8.591 7.423 -2.283 1.00 72.35 H new ATOM 0 HG12 ILE A 38 -7.608 9.987 -1.007 1.00 62.01 H new ATOM 0 HG13 ILE A 38 -6.637 8.530 -1.081 1.00 62.01 H new ATOM 0 HG21 ILE A 38 -9.773 9.567 -2.872 1.00 60.02 H new ATOM 0 HG22 ILE A 38 -10.835 8.439 -1.997 1.00 60.02 H new ATOM 0 HG23 ILE A 38 -10.117 9.826 -1.146 1.00 60.02 H new ATOM 0 HD11 ILE A 38 -6.130 10.019 -2.989 1.00 15.44 H new ATOM 0 HD12 ILE A 38 -6.852 8.497 -3.563 1.00 15.44 H new ATOM 0 HD13 ILE A 38 -7.838 9.976 -3.488 1.00 15.44 H new ATOM 578 N LYS A 39 -11.199 6.775 0.553 1.00 12.12 N ATOM 579 CA LYS A 39 -12.489 6.178 0.321 1.00 21.33 C ATOM 580 C LYS A 39 -13.241 7.023 -0.705 1.00 34.32 C ATOM 581 O LYS A 39 -13.037 8.237 -0.782 1.00 55.13 O ATOM 582 CB LYS A 39 -13.230 6.093 1.660 1.00 35.20 C ATOM 583 CG LYS A 39 -12.491 5.347 2.787 1.00 20.43 C ATOM 584 CD LYS A 39 -12.063 3.931 2.388 1.00 41.31 C ATOM 585 CE LYS A 39 -11.398 3.184 3.554 1.00 73.32 C ATOM 586 NZ LYS A 39 -12.371 2.491 4.423 1.00 52.11 N ATOM 0 H LYS A 39 -11.154 7.370 1.380 1.00 12.12 H new ATOM 0 HA LYS A 39 -12.400 5.169 -0.080 1.00 21.33 H new ATOM 0 HB2 LYS A 39 -13.445 7.106 2.000 1.00 35.20 H new ATOM 0 HB3 LYS A 39 -14.189 5.603 1.493 1.00 35.20 H new ATOM 0 HG2 LYS A 39 -11.609 5.919 3.076 1.00 20.43 H new ATOM 0 HG3 LYS A 39 -13.137 5.292 3.663 1.00 20.43 H new ATOM 0 HD2 LYS A 39 -12.934 3.371 2.047 1.00 41.31 H new ATOM 0 HD3 LYS A 39 -11.370 3.984 1.548 1.00 41.31 H new ATOM 0 HE2 LYS A 39 -10.691 2.456 3.156 1.00 73.32 H new ATOM 0 HE3 LYS A 39 -10.824 3.892 4.152 1.00 73.32 H new ATOM 0 HZ1 LYS A 39 -11.870 1.820 5.040 1.00 52.11 H new ATOM 0 HZ2 LYS A 39 -12.874 3.189 5.007 1.00 52.11 H new ATOM 0 HZ3 LYS A 39 -13.056 1.975 3.835 1.00 52.11 H new ATOM 600 N ASP A 40 -14.178 6.414 -1.431 1.00 74.01 N ATOM 601 CA ASP A 40 -15.204 7.155 -2.174 1.00 2.13 C ATOM 602 C ASP A 40 -16.047 7.993 -1.216 1.00 3.30 C ATOM 603 O ASP A 40 -16.635 9.010 -1.586 1.00 64.25 O ATOM 604 CB ASP A 40 -16.172 6.178 -2.841 1.00 24.11 C ATOM 605 CG ASP A 40 -16.917 6.746 -4.054 1.00 62.35 C ATOM 606 OD1 ASP A 40 -16.911 7.977 -4.278 1.00 60.41 O ATOM 607 OD2 ASP A 40 -17.412 5.915 -4.850 1.00 64.34 O ATOM 0 H ASP A 40 -14.250 5.401 -1.522 1.00 74.01 H new ATOM 0 HA ASP A 40 -14.693 7.780 -2.906 1.00 2.13 H new ATOM 0 HB2 ASP A 40 -15.617 5.294 -3.154 1.00 24.11 H new ATOM 0 HB3 ASP A 40 -16.904 5.851 -2.102 1.00 24.11 H new ATOM 612 N LYS A 41 -16.110 7.524 0.033 1.00 13.14 N ATOM 613 CA LYS A 41 -16.955 7.984 1.115 1.00 12.53 C ATOM 614 C LYS A 41 -18.361 7.484 0.848 1.00 1.43 C ATOM 615 O LYS A 41 -18.736 6.521 1.499 1.00 31.12 O ATOM 616 CB LYS A 41 -16.784 9.487 1.416 1.00 33.01 C ATOM 617 CG LYS A 41 -15.288 9.867 1.483 1.00 44.52 C ATOM 618 CD LYS A 41 -15.031 11.243 2.097 1.00 64.31 C ATOM 619 CE LYS A 41 -15.568 12.365 1.212 1.00 40.54 C ATOM 620 NZ LYS A 41 -14.555 12.870 0.266 1.00 35.44 N ATOM 0 H LYS A 41 -15.518 6.748 0.328 1.00 13.14 H new ATOM 0 HA LYS A 41 -16.650 7.555 2.070 1.00 12.53 H new ATOM 0 HB2 LYS A 41 -17.279 10.076 0.644 1.00 33.01 H new ATOM 0 HB3 LYS A 41 -17.268 9.730 2.362 1.00 33.01 H new ATOM 0 HG2 LYS A 41 -14.757 9.114 2.065 1.00 44.52 H new ATOM 0 HG3 LYS A 41 -14.871 9.844 0.476 1.00 44.52 H new ATOM 0 HD2 LYS A 41 -15.501 11.297 3.079 1.00 64.31 H new ATOM 0 HD3 LYS A 41 -13.960 11.380 2.249 1.00 64.31 H new ATOM 0 HE2 LYS A 41 -16.432 12.003 0.655 1.00 40.54 H new ATOM 0 HE3 LYS A 41 -15.915 13.185 1.841 1.00 40.54 H new ATOM 0 HZ1 LYS A 41 -14.968 13.630 -0.312 1.00 35.44 H new ATOM 0 HZ2 LYS A 41 -13.740 13.241 0.795 1.00 35.44 H new ATOM 0 HZ3 LYS A 41 -14.242 12.095 -0.353 1.00 35.44 H new ATOM 634 N GLN A 42 -19.056 7.968 -0.180 1.00 14.31 N ATOM 635 CA GLN A 42 -20.486 7.696 -0.360 1.00 52.24 C ATOM 636 C GLN A 42 -20.814 6.216 -0.533 1.00 15.30 C ATOM 637 O GLN A 42 -21.759 5.702 0.071 1.00 22.12 O ATOM 638 CB GLN A 42 -21.026 8.457 -1.572 1.00 51.14 C ATOM 639 CG GLN A 42 -21.888 9.647 -1.158 1.00 1.11 C ATOM 640 CD GLN A 42 -21.105 10.742 -0.445 1.00 72.45 C ATOM 641 OE1 GLN A 42 -21.425 11.110 0.683 1.00 55.51 O ATOM 642 NE2 GLN A 42 -20.086 11.296 -1.071 1.00 53.21 N ATOM 0 H GLN A 42 -18.650 8.556 -0.908 1.00 14.31 H new ATOM 0 HA GLN A 42 -20.964 8.033 0.560 1.00 52.24 H new ATOM 0 HB2 GLN A 42 -20.193 8.807 -2.182 1.00 51.14 H new ATOM 0 HB3 GLN A 42 -21.614 7.781 -2.193 1.00 51.14 H new ATOM 0 HG2 GLN A 42 -22.363 10.068 -2.044 1.00 1.11 H new ATOM 0 HG3 GLN A 42 -22.687 9.297 -0.504 1.00 1.11 H new ATOM 0 HE21 GLN A 42 -19.830 10.982 -2.007 1.00 53.21 H new ATOM 0 HE22 GLN A 42 -19.553 12.039 -0.619 1.00 53.21 H new ATOM 651 N THR A 43 -20.065 5.541 -1.399 1.00 40.22 N ATOM 652 CA THR A 43 -20.238 4.122 -1.680 1.00 15.10 C ATOM 653 C THR A 43 -19.697 3.264 -0.521 1.00 75.42 C ATOM 654 O THR A 43 -19.914 2.049 -0.474 1.00 41.33 O ATOM 655 CB THR A 43 -19.611 3.799 -3.045 1.00 64.45 C ATOM 656 OG1 THR A 43 -18.222 4.033 -3.027 1.00 34.11 O ATOM 657 CG2 THR A 43 -20.199 4.669 -4.154 1.00 3.50 C ATOM 0 H THR A 43 -19.310 5.972 -1.933 1.00 40.22 H new ATOM 0 HA THR A 43 -21.297 3.873 -1.749 1.00 15.10 H new ATOM 0 HB THR A 43 -19.825 2.748 -3.239 1.00 64.45 H new ATOM 0 HG1 THR A 43 -17.976 4.599 -3.788 1.00 34.11 H new ATOM 0 HG21 THR A 43 -19.731 4.412 -5.105 1.00 3.50 H new ATOM 0 HG22 THR A 43 -21.273 4.497 -4.220 1.00 3.50 H new ATOM 0 HG23 THR A 43 -20.012 5.719 -3.930 1.00 3.50 H new ATOM 665 N GLN A 44 -18.935 3.906 0.377 1.00 53.21 N ATOM 666 CA GLN A 44 -18.125 3.377 1.462 1.00 20.30 C ATOM 667 C GLN A 44 -16.978 2.485 0.965 1.00 60.03 C ATOM 668 O GLN A 44 -16.371 1.773 1.769 1.00 12.34 O ATOM 669 CB GLN A 44 -18.990 2.702 2.543 1.00 24.23 C ATOM 670 CG GLN A 44 -20.290 3.428 2.951 1.00 42.25 C ATOM 671 CD GLN A 44 -20.125 4.846 3.500 1.00 63.23 C ATOM 672 OE1 GLN A 44 -20.965 5.709 3.271 1.00 63.14 O ATOM 673 NE2 GLN A 44 -19.077 5.115 4.266 1.00 2.42 N ATOM 0 H GLN A 44 -18.871 4.924 0.349 1.00 53.21 H new ATOM 0 HA GLN A 44 -17.642 4.229 1.941 1.00 20.30 H new ATOM 0 HB2 GLN A 44 -19.254 1.704 2.192 1.00 24.23 H new ATOM 0 HB3 GLN A 44 -18.378 2.574 3.436 1.00 24.23 H new ATOM 0 HG2 GLN A 44 -20.946 3.471 2.082 1.00 42.25 H new ATOM 0 HG3 GLN A 44 -20.798 2.825 3.704 1.00 42.25 H new ATOM 0 HE21 GLN A 44 -18.382 4.392 4.452 1.00 2.42 H new ATOM 0 HE22 GLN A 44 -18.965 6.045 4.669 1.00 2.42 H new ATOM 682 N LEU A 45 -16.665 2.524 -0.332 1.00 60.14 N ATOM 683 CA LEU A 45 -15.598 1.735 -0.940 1.00 32.24 C ATOM 684 C LEU A 45 -14.304 2.547 -0.936 1.00 11.44 C ATOM 685 O LEU A 45 -14.305 3.724 -0.562 1.00 52.13 O ATOM 686 CB LEU A 45 -15.983 1.338 -2.374 1.00 53.54 C ATOM 687 CG LEU A 45 -17.403 0.760 -2.529 1.00 61.15 C ATOM 688 CD1 LEU A 45 -17.622 0.380 -3.992 1.00 4.13 C ATOM 689 CD2 LEU A 45 -17.700 -0.415 -1.591 1.00 12.33 C ATOM 0 H LEU A 45 -17.157 3.117 -1.000 1.00 60.14 H new ATOM 0 HA LEU A 45 -15.447 0.822 -0.364 1.00 32.24 H new ATOM 0 HB2 LEU A 45 -15.892 2.215 -3.015 1.00 53.54 H new ATOM 0 HB3 LEU A 45 -15.265 0.602 -2.737 1.00 53.54 H new ATOM 0 HG LEU A 45 -18.110 1.535 -2.232 1.00 61.15 H new ATOM 0 HD11 LEU A 45 -18.624 -0.031 -4.115 1.00 4.13 H new ATOM 0 HD12 LEU A 45 -17.513 1.266 -4.618 1.00 4.13 H new ATOM 0 HD13 LEU A 45 -16.885 -0.366 -4.288 1.00 4.13 H new ATOM 0 HD21 LEU A 45 -18.718 -0.767 -1.760 1.00 12.33 H new ATOM 0 HD22 LEU A 45 -16.998 -1.225 -1.789 1.00 12.33 H new ATOM 0 HD23 LEU A 45 -17.595 -0.090 -0.556 1.00 12.33 H new ATOM 701 N ASN A 46 -13.200 1.939 -1.369 1.00 75.23 N ATOM 702 CA ASN A 46 -11.925 2.625 -1.574 1.00 4.20 C ATOM 703 C ASN A 46 -11.861 3.191 -2.997 1.00 14.30 C ATOM 704 O ASN A 46 -12.832 3.095 -3.747 1.00 4.51 O ATOM 705 CB ASN A 46 -10.737 1.693 -1.308 1.00 22.20 C ATOM 706 CG ASN A 46 -10.859 0.895 -0.039 1.00 53.13 C ATOM 707 OD1 ASN A 46 -10.914 1.441 1.053 1.00 62.34 O ATOM 708 ND2 ASN A 46 -10.830 -0.414 -0.128 1.00 71.44 N ATOM 0 H ASN A 46 -13.166 0.944 -1.590 1.00 75.23 H new ATOM 0 HA ASN A 46 -11.861 3.447 -0.860 1.00 4.20 H new ATOM 0 HB2 ASN A 46 -10.631 1.007 -2.148 1.00 22.20 H new ATOM 0 HB3 ASN A 46 -9.824 2.287 -1.265 1.00 22.20 H new ATOM 0 HD21 ASN A 46 -10.853 -0.983 0.718 1.00 71.44 H new ATOM 0 HD22 ASN A 46 -10.784 -0.862 -1.043 1.00 71.44 H new ATOM 715 N ARG A 47 -10.711 3.735 -3.411 1.00 1.23 N ATOM 716 CA ARG A 47 -10.388 3.949 -4.834 1.00 0.40 C ATOM 717 C ARG A 47 -9.552 2.797 -5.415 1.00 64.21 C ATOM 718 O ARG A 47 -9.389 2.696 -6.628 1.00 12.10 O ATOM 719 CB ARG A 47 -9.786 5.345 -5.088 1.00 14.24 C ATOM 720 CG ARG A 47 -10.691 6.465 -4.527 1.00 40.23 C ATOM 721 CD ARG A 47 -10.906 7.685 -5.433 1.00 74.02 C ATOM 722 NE ARG A 47 -9.676 8.357 -5.893 1.00 73.25 N ATOM 723 CZ ARG A 47 -9.669 9.346 -6.803 1.00 32.42 C ATOM 724 NH1 ARG A 47 -10.812 9.807 -7.309 1.00 35.22 N ATOM 725 NH2 ARG A 47 -8.521 9.872 -7.209 1.00 12.40 N ATOM 0 H ARG A 47 -9.976 4.040 -2.773 1.00 1.23 H new ATOM 0 HA ARG A 47 -11.327 3.934 -5.388 1.00 0.40 H new ATOM 0 HB2 ARG A 47 -8.801 5.407 -4.626 1.00 14.24 H new ATOM 0 HB3 ARG A 47 -9.645 5.492 -6.159 1.00 14.24 H new ATOM 0 HG2 ARG A 47 -11.665 6.034 -4.297 1.00 40.23 H new ATOM 0 HG3 ARG A 47 -10.264 6.810 -3.585 1.00 40.23 H new ATOM 0 HD2 ARG A 47 -11.477 7.371 -6.307 1.00 74.02 H new ATOM 0 HD3 ARG A 47 -11.517 8.411 -4.897 1.00 74.02 H new ATOM 0 HE ARG A 47 -8.784 8.055 -5.500 1.00 73.25 H new ATOM 0 HH11 ARG A 47 -11.701 9.409 -7.006 1.00 35.22 H new ATOM 0 HH12 ARG A 47 -10.798 10.558 -7.999 1.00 35.22 H new ATOM 0 HH21 ARG A 47 -7.639 9.526 -6.830 1.00 12.40 H new ATOM 0 HH22 ARG A 47 -8.520 10.622 -7.900 1.00 12.40 H new ATOM 739 N GLY A 48 -8.990 1.931 -4.571 1.00 34.12 N ATOM 740 CA GLY A 48 -8.370 0.663 -4.948 1.00 24.24 C ATOM 741 C GLY A 48 -6.849 0.735 -5.124 1.00 52.55 C ATOM 742 O GLY A 48 -6.199 -0.241 -5.505 1.00 41.23 O ATOM 0 H GLY A 48 -8.954 2.102 -3.566 1.00 34.12 H new ATOM 0 HA2 GLY A 48 -8.602 -0.082 -4.187 1.00 24.24 H new ATOM 0 HA3 GLY A 48 -8.816 0.316 -5.880 1.00 24.24 H new ATOM 746 N PHE A 49 -6.246 1.829 -4.667 1.00 75.31 N ATOM 747 CA PHE A 49 -4.828 1.950 -4.381 1.00 13.53 C ATOM 748 C PHE A 49 -4.697 2.670 -3.039 1.00 43.12 C ATOM 749 O PHE A 49 -5.676 3.221 -2.520 1.00 22.13 O ATOM 750 CB PHE A 49 -4.084 2.654 -5.529 1.00 24.03 C ATOM 751 CG PHE A 49 -4.760 3.902 -6.035 1.00 72.03 C ATOM 752 CD1 PHE A 49 -4.713 5.094 -5.290 1.00 73.23 C ATOM 753 CD2 PHE A 49 -5.498 3.831 -7.226 1.00 4.42 C ATOM 754 CE1 PHE A 49 -5.472 6.203 -5.705 1.00 32.03 C ATOM 755 CE2 PHE A 49 -6.247 4.946 -7.643 1.00 23.23 C ATOM 756 CZ PHE A 49 -6.247 6.123 -6.875 1.00 42.11 C ATOM 0 H PHE A 49 -6.759 2.690 -4.479 1.00 75.31 H new ATOM 0 HA PHE A 49 -4.356 0.971 -4.305 1.00 13.53 H new ATOM 0 HB2 PHE A 49 -3.080 2.911 -5.192 1.00 24.03 H new ATOM 0 HB3 PHE A 49 -3.973 1.954 -6.357 1.00 24.03 H new ATOM 0 HD1 PHE A 49 -4.098 5.157 -4.405 1.00 73.23 H new ATOM 0 HD2 PHE A 49 -5.491 2.928 -7.818 1.00 4.42 H new ATOM 0 HE1 PHE A 49 -5.459 7.114 -5.126 1.00 32.03 H new ATOM 0 HE2 PHE A 49 -6.823 4.898 -8.555 1.00 23.23 H new ATOM 0 HZ PHE A 49 -6.844 6.968 -7.185 1.00 42.11 H new ATOM 766 N ALA A 50 -3.514 2.639 -2.439 1.00 71.21 N ATOM 767 CA ALA A 50 -3.203 3.345 -1.204 1.00 12.34 C ATOM 768 C ALA A 50 -1.828 3.976 -1.323 1.00 32.34 C ATOM 769 O ALA A 50 -1.039 3.509 -2.133 1.00 20.43 O ATOM 770 CB ALA A 50 -3.213 2.365 -0.035 1.00 0.34 C ATOM 0 H ALA A 50 -2.725 2.109 -2.808 1.00 71.21 H new ATOM 0 HA ALA A 50 -3.950 4.120 -1.030 1.00 12.34 H new ATOM 0 HB1 ALA A 50 -2.980 2.897 0.888 1.00 0.34 H new ATOM 0 HB2 ALA A 50 -4.199 1.908 0.049 1.00 0.34 H new ATOM 0 HB3 ALA A 50 -2.467 1.589 -0.205 1.00 0.34 H new ATOM 776 N PHE A 51 -1.519 4.962 -0.489 1.00 14.23 N ATOM 777 CA PHE A 51 -0.267 5.701 -0.513 1.00 32.42 C ATOM 778 C PHE A 51 0.427 5.480 0.818 1.00 21.14 C ATOM 779 O PHE A 51 -0.045 5.992 1.831 1.00 40.33 O ATOM 780 CB PHE A 51 -0.545 7.191 -0.735 1.00 63.14 C ATOM 781 CG PHE A 51 -1.370 7.508 -1.954 1.00 35.14 C ATOM 782 CD1 PHE A 51 -0.754 7.619 -3.208 1.00 31.03 C ATOM 783 CD2 PHE A 51 -2.756 7.705 -1.826 1.00 74.22 C ATOM 784 CE1 PHE A 51 -1.528 7.896 -4.344 1.00 32.02 C ATOM 785 CE2 PHE A 51 -3.522 8.034 -2.952 1.00 60.21 C ATOM 786 CZ PHE A 51 -2.910 8.126 -4.215 1.00 34.12 C ATOM 0 H PHE A 51 -2.154 5.277 0.244 1.00 14.23 H new ATOM 0 HA PHE A 51 0.369 5.354 -1.327 1.00 32.42 H new ATOM 0 HB2 PHE A 51 -1.056 7.585 0.144 1.00 63.14 H new ATOM 0 HB3 PHE A 51 0.407 7.716 -0.812 1.00 63.14 H new ATOM 0 HD1 PHE A 51 0.315 7.491 -3.299 1.00 31.03 H new ATOM 0 HD2 PHE A 51 -3.230 7.603 -0.861 1.00 74.22 H new ATOM 0 HE1 PHE A 51 -1.063 7.933 -5.318 1.00 32.02 H new ATOM 0 HE2 PHE A 51 -4.582 8.217 -2.850 1.00 60.21 H new ATOM 0 HZ PHE A 51 -3.500 8.373 -5.085 1.00 34.12 H new ATOM 796 N ILE A 52 1.515 4.721 0.827 1.00 61.32 N ATOM 797 CA ILE A 52 2.411 4.555 1.961 1.00 72.45 C ATOM 798 C ILE A 52 3.342 5.781 2.022 1.00 60.35 C ATOM 799 O ILE A 52 3.742 6.308 0.977 1.00 42.21 O ATOM 800 CB ILE A 52 3.183 3.227 1.804 1.00 72.13 C ATOM 801 CG1 ILE A 52 2.275 1.982 1.636 1.00 22.13 C ATOM 802 CG2 ILE A 52 4.131 2.997 2.988 1.00 43.21 C ATOM 803 CD1 ILE A 52 2.971 0.869 0.846 1.00 63.03 C ATOM 0 H ILE A 52 1.808 4.183 0.011 1.00 61.32 H new ATOM 0 HA ILE A 52 1.865 4.499 2.903 1.00 72.45 H new ATOM 0 HB ILE A 52 3.749 3.340 0.879 1.00 72.13 H new ATOM 0 HG12 ILE A 52 1.990 1.606 2.618 1.00 22.13 H new ATOM 0 HG13 ILE A 52 1.356 2.269 1.125 1.00 22.13 H new ATOM 0 HG21 ILE A 52 4.662 2.055 2.851 1.00 43.21 H new ATOM 0 HG22 ILE A 52 4.850 3.814 3.042 1.00 43.21 H new ATOM 0 HG23 ILE A 52 3.555 2.958 3.913 1.00 43.21 H new ATOM 0 HD11 ILE A 52 2.300 0.015 0.752 1.00 63.03 H new ATOM 0 HD12 ILE A 52 3.233 1.236 -0.146 1.00 63.03 H new ATOM 0 HD13 ILE A 52 3.876 0.562 1.370 1.00 63.03 H new ATOM 815 N GLN A 53 3.675 6.257 3.225 1.00 44.44 N ATOM 816 CA GLN A 53 4.662 7.292 3.504 1.00 3.24 C ATOM 817 C GLN A 53 5.613 6.755 4.583 1.00 15.32 C ATOM 818 O GLN A 53 5.278 6.815 5.775 1.00 22.43 O ATOM 819 CB GLN A 53 3.972 8.585 3.983 1.00 24.11 C ATOM 820 CG GLN A 53 3.377 9.484 2.889 1.00 14.12 C ATOM 821 CD GLN A 53 1.928 9.156 2.548 1.00 60.41 C ATOM 822 OE1 GLN A 53 0.992 9.696 3.121 1.00 44.53 O ATOM 823 NE2 GLN A 53 1.701 8.315 1.556 1.00 61.31 N ATOM 0 H GLN A 53 3.235 5.907 4.076 1.00 44.44 H new ATOM 0 HA GLN A 53 5.218 7.536 2.599 1.00 3.24 H new ATOM 0 HB2 GLN A 53 3.174 8.311 4.673 1.00 24.11 H new ATOM 0 HB3 GLN A 53 4.697 9.170 4.550 1.00 24.11 H new ATOM 0 HG2 GLN A 53 3.439 10.523 3.212 1.00 14.12 H new ATOM 0 HG3 GLN A 53 3.983 9.394 1.987 1.00 14.12 H new ATOM 0 HE21 GLN A 53 2.483 7.866 1.079 1.00 61.31 H new ATOM 0 HE22 GLN A 53 0.744 8.115 1.266 1.00 61.31 H new ATOM 832 N LEU A 54 6.759 6.197 4.184 1.00 60.52 N ATOM 833 CA LEU A 54 7.741 5.602 5.093 1.00 62.34 C ATOM 834 C LEU A 54 8.856 6.607 5.412 1.00 44.44 C ATOM 835 O LEU A 54 8.751 7.792 5.110 1.00 41.32 O ATOM 836 CB LEU A 54 8.276 4.268 4.508 1.00 35.10 C ATOM 837 CG LEU A 54 7.742 2.993 5.182 1.00 34.12 C ATOM 838 CD1 LEU A 54 8.451 1.745 4.641 1.00 73.32 C ATOM 839 CD2 LEU A 54 7.976 2.984 6.696 1.00 40.04 C ATOM 0 H LEU A 54 7.035 6.145 3.203 1.00 60.52 H new ATOM 0 HA LEU A 54 7.260 5.360 6.041 1.00 62.34 H new ATOM 0 HB2 LEU A 54 8.027 4.230 3.447 1.00 35.10 H new ATOM 0 HB3 LEU A 54 9.364 4.269 4.580 1.00 35.10 H new ATOM 0 HG LEU A 54 6.674 2.982 4.963 1.00 34.12 H new ATOM 0 HD11 LEU A 54 8.054 0.858 5.135 1.00 73.32 H new ATOM 0 HD12 LEU A 54 8.283 1.668 3.567 1.00 73.32 H new ATOM 0 HD13 LEU A 54 9.521 1.821 4.836 1.00 73.32 H new ATOM 0 HD21 LEU A 54 7.580 2.061 7.120 1.00 40.04 H new ATOM 0 HD22 LEU A 54 9.045 3.047 6.899 1.00 40.04 H new ATOM 0 HD23 LEU A 54 7.470 3.837 7.147 1.00 40.04 H new ATOM 851 N SER A 55 9.897 6.159 6.114 1.00 15.01 N ATOM 852 CA SER A 55 11.225 6.773 6.131 1.00 20.20 C ATOM 853 C SER A 55 11.840 6.647 4.734 1.00 71.42 C ATOM 854 O SER A 55 11.609 5.627 4.092 1.00 24.34 O ATOM 855 CB SER A 55 12.079 5.954 7.110 1.00 22.31 C ATOM 856 OG SER A 55 12.326 6.600 8.339 1.00 71.44 O ATOM 0 H SER A 55 9.837 5.331 6.706 1.00 15.01 H new ATOM 0 HA SER A 55 11.174 7.822 6.421 1.00 20.20 H new ATOM 0 HB2 SER A 55 11.580 5.005 7.305 1.00 22.31 H new ATOM 0 HB3 SER A 55 13.033 5.721 6.636 1.00 22.31 H new ATOM 0 HG SER A 55 12.872 6.020 8.910 1.00 71.44 H new ATOM 862 N THR A 56 12.718 7.570 4.327 1.00 11.00 N ATOM 863 CA THR A 56 13.416 7.533 3.041 1.00 42.31 C ATOM 864 C THR A 56 14.030 6.154 2.774 1.00 52.44 C ATOM 865 O THR A 56 13.700 5.502 1.786 1.00 60.43 O ATOM 866 CB THR A 56 14.516 8.615 3.040 1.00 52.41 C ATOM 867 OG1 THR A 56 14.009 9.836 3.535 1.00 4.01 O ATOM 868 CG2 THR A 56 15.142 8.822 1.657 1.00 21.23 C ATOM 0 H THR A 56 12.967 8.380 4.895 1.00 11.00 H new ATOM 0 HA THR A 56 12.697 7.729 2.246 1.00 42.31 H new ATOM 0 HB THR A 56 15.308 8.258 3.698 1.00 52.41 H new ATOM 0 HG1 THR A 56 13.918 10.475 2.798 1.00 4.01 H new ATOM 0 HG21 THR A 56 15.909 9.594 1.717 1.00 21.23 H new ATOM 0 HG22 THR A 56 15.592 7.889 1.318 1.00 21.23 H new ATOM 0 HG23 THR A 56 14.371 9.130 0.951 1.00 21.23 H new ATOM 876 N ILE A 57 14.935 5.714 3.652 1.00 1.32 N ATOM 877 CA ILE A 57 15.699 4.487 3.470 1.00 3.33 C ATOM 878 C ILE A 57 14.766 3.287 3.615 1.00 62.15 C ATOM 879 O ILE A 57 14.819 2.382 2.786 1.00 75.24 O ATOM 880 CB ILE A 57 16.871 4.437 4.477 1.00 74.52 C ATOM 881 CG1 ILE A 57 17.752 5.707 4.438 1.00 21.14 C ATOM 882 CG2 ILE A 57 17.730 3.178 4.270 1.00 2.12 C ATOM 883 CD1 ILE A 57 18.454 5.979 3.103 1.00 54.45 C ATOM 0 H ILE A 57 15.157 6.208 4.516 1.00 1.32 H new ATOM 0 HA ILE A 57 16.132 4.459 2.470 1.00 3.33 H new ATOM 0 HB ILE A 57 16.419 4.394 5.468 1.00 74.52 H new ATOM 0 HG12 ILE A 57 17.130 6.568 4.684 1.00 21.14 H new ATOM 0 HG13 ILE A 57 18.509 5.627 5.218 1.00 21.14 H new ATOM 0 HG21 ILE A 57 18.546 3.171 4.993 1.00 2.12 H new ATOM 0 HG22 ILE A 57 17.114 2.290 4.410 1.00 2.12 H new ATOM 0 HG23 ILE A 57 18.140 3.179 3.260 1.00 2.12 H new ATOM 0 HD11 ILE A 57 19.045 6.891 3.182 1.00 54.45 H new ATOM 0 HD12 ILE A 57 19.109 5.142 2.859 1.00 54.45 H new ATOM 0 HD13 ILE A 57 17.708 6.097 2.317 1.00 54.45 H new ATOM 895 N GLU A 58 13.904 3.296 4.639 1.00 52.21 N ATOM 896 CA GLU A 58 12.956 2.215 4.896 1.00 64.44 C ATOM 897 C GLU A 58 12.099 1.965 3.652 1.00 22.52 C ATOM 898 O GLU A 58 11.893 0.812 3.279 1.00 33.12 O ATOM 899 CB GLU A 58 12.028 2.521 6.079 1.00 41.12 C ATOM 900 CG GLU A 58 12.708 2.768 7.430 1.00 42.15 C ATOM 901 CD GLU A 58 13.238 1.550 8.176 1.00 55.03 C ATOM 902 OE1 GLU A 58 12.885 0.401 7.830 1.00 74.34 O ATOM 903 OE2 GLU A 58 13.944 1.777 9.188 1.00 53.25 O ATOM 0 H GLU A 58 13.847 4.059 5.314 1.00 52.21 H new ATOM 0 HA GLU A 58 13.543 1.331 5.144 1.00 64.44 H new ATOM 0 HB2 GLU A 58 11.434 3.400 5.829 1.00 41.12 H new ATOM 0 HB3 GLU A 58 11.333 1.689 6.193 1.00 41.12 H new ATOM 0 HG2 GLU A 58 13.540 3.454 7.269 1.00 42.15 H new ATOM 0 HG3 GLU A 58 11.996 3.278 8.079 1.00 42.15 H new ATOM 910 N ALA A 59 11.595 3.037 3.033 1.00 42.43 N ATOM 911 CA ALA A 59 10.785 2.998 1.829 1.00 20.51 C ATOM 912 C ALA A 59 11.625 2.469 0.664 1.00 60.44 C ATOM 913 O ALA A 59 11.217 1.556 -0.057 1.00 55.11 O ATOM 914 CB ALA A 59 10.275 4.405 1.473 1.00 40.13 C ATOM 0 H ALA A 59 11.750 3.985 3.375 1.00 42.43 H new ATOM 0 HA ALA A 59 9.933 2.343 2.008 1.00 20.51 H new ATOM 0 HB1 ALA A 59 9.670 4.354 0.568 1.00 40.13 H new ATOM 0 HB2 ALA A 59 9.669 4.791 2.293 1.00 40.13 H new ATOM 0 HB3 ALA A 59 11.124 5.068 1.306 1.00 40.13 H new ATOM 920 N ALA A 60 12.777 3.104 0.431 1.00 24.20 N ATOM 921 CA ALA A 60 13.602 2.893 -0.746 1.00 0.30 C ATOM 922 C ALA A 60 14.077 1.447 -0.819 1.00 3.13 C ATOM 923 O ALA A 60 13.974 0.820 -1.871 1.00 15.01 O ATOM 924 CB ALA A 60 14.787 3.867 -0.734 1.00 71.41 C ATOM 0 H ALA A 60 13.165 3.794 1.075 1.00 24.20 H new ATOM 0 HA ALA A 60 13.005 3.088 -1.637 1.00 0.30 H new ATOM 0 HB1 ALA A 60 15.401 3.703 -1.619 1.00 71.41 H new ATOM 0 HB2 ALA A 60 14.416 4.892 -0.734 1.00 71.41 H new ATOM 0 HB3 ALA A 60 15.387 3.699 0.160 1.00 71.41 H new ATOM 930 N GLN A 61 14.607 0.913 0.280 1.00 13.21 N ATOM 931 CA GLN A 61 15.106 -0.452 0.345 1.00 73.31 C ATOM 932 C GLN A 61 13.956 -1.440 0.181 1.00 32.31 C ATOM 933 O GLN A 61 14.024 -2.316 -0.679 1.00 74.23 O ATOM 934 CB GLN A 61 15.805 -0.674 1.685 1.00 2.11 C ATOM 935 CG GLN A 61 17.137 0.084 1.781 1.00 73.32 C ATOM 936 CD GLN A 61 17.864 -0.139 3.104 1.00 52.05 C ATOM 937 OE1 GLN A 61 19.080 0.027 3.188 1.00 64.31 O ATOM 938 NE2 GLN A 61 17.170 -0.471 4.177 1.00 73.34 N ATOM 0 H GLN A 61 14.701 1.424 1.157 1.00 13.21 H new ATOM 0 HA GLN A 61 15.819 -0.614 -0.463 1.00 73.31 H new ATOM 0 HB2 GLN A 61 15.148 -0.352 2.493 1.00 2.11 H new ATOM 0 HB3 GLN A 61 15.985 -1.740 1.826 1.00 2.11 H new ATOM 0 HG2 GLN A 61 17.784 -0.228 0.961 1.00 73.32 H new ATOM 0 HG3 GLN A 61 16.951 1.150 1.652 1.00 73.32 H new ATOM 0 HE21 GLN A 61 16.162 -0.609 4.110 1.00 73.34 H new ATOM 0 HE22 GLN A 61 17.642 -0.589 5.073 1.00 73.34 H new ATOM 947 N LEU A 62 12.891 -1.287 0.975 1.00 40.41 N ATOM 948 CA LEU A 62 11.731 -2.173 0.958 1.00 1.13 C ATOM 949 C LEU A 62 11.167 -2.320 -0.444 1.00 35.11 C ATOM 950 O LEU A 62 10.836 -3.437 -0.840 1.00 74.24 O ATOM 951 CB LEU A 62 10.691 -1.629 1.936 1.00 75.52 C ATOM 952 CG LEU A 62 9.336 -2.346 2.036 1.00 3.42 C ATOM 953 CD1 LEU A 62 8.359 -1.960 0.927 1.00 34.30 C ATOM 954 CD2 LEU A 62 9.443 -3.867 2.210 1.00 63.21 C ATOM 0 H LEU A 62 12.813 -0.532 1.656 1.00 40.41 H new ATOM 0 HA LEU A 62 12.029 -3.174 1.272 1.00 1.13 H new ATOM 0 HB2 LEU A 62 11.139 -1.626 2.930 1.00 75.52 H new ATOM 0 HB3 LEU A 62 10.498 -0.590 1.671 1.00 75.52 H new ATOM 0 HG LEU A 62 8.908 -1.973 2.966 1.00 3.42 H new ATOM 0 HD11 LEU A 62 7.424 -2.504 1.060 1.00 34.30 H new ATOM 0 HD12 LEU A 62 8.165 -0.888 0.970 1.00 34.30 H new ATOM 0 HD13 LEU A 62 8.790 -2.212 -0.042 1.00 34.30 H new ATOM 0 HD21 LEU A 62 8.443 -4.297 2.272 1.00 63.21 H new ATOM 0 HD22 LEU A 62 9.970 -4.295 1.357 1.00 63.21 H new ATOM 0 HD23 LEU A 62 9.992 -4.091 3.125 1.00 63.21 H new ATOM 966 N LEU A 63 11.086 -1.223 -1.202 1.00 54.05 N ATOM 967 CA LEU A 63 10.571 -1.262 -2.561 1.00 60.42 C ATOM 968 C LEU A 63 11.378 -2.273 -3.377 1.00 71.25 C ATOM 969 O LEU A 63 10.795 -3.125 -4.041 1.00 12.43 O ATOM 970 CB LEU A 63 10.640 0.135 -3.201 1.00 61.25 C ATOM 971 CG LEU A 63 10.030 0.156 -4.618 1.00 43.45 C ATOM 972 CD1 LEU A 63 8.511 0.368 -4.586 1.00 61.42 C ATOM 973 CD2 LEU A 63 10.693 1.237 -5.466 1.00 63.23 C ATOM 0 H LEU A 63 11.374 -0.296 -0.890 1.00 54.05 H new ATOM 0 HA LEU A 63 9.526 -1.571 -2.544 1.00 60.42 H new ATOM 0 HB2 LEU A 63 10.112 0.849 -2.569 1.00 61.25 H new ATOM 0 HB3 LEU A 63 11.679 0.460 -3.250 1.00 61.25 H new ATOM 0 HG LEU A 63 10.218 -0.819 -5.067 1.00 43.45 H new ATOM 0 HD11 LEU A 63 8.123 0.376 -5.605 1.00 61.42 H new ATOM 0 HD12 LEU A 63 8.042 -0.441 -4.026 1.00 61.42 H new ATOM 0 HD13 LEU A 63 8.287 1.320 -4.105 1.00 61.42 H new ATOM 0 HD21 LEU A 63 10.252 1.239 -6.463 1.00 63.23 H new ATOM 0 HD22 LEU A 63 10.540 2.210 -4.999 1.00 63.23 H new ATOM 0 HD23 LEU A 63 11.761 1.035 -5.543 1.00 63.23 H new ATOM 985 N GLN A 64 12.710 -2.198 -3.320 1.00 22.33 N ATOM 986 CA GLN A 64 13.574 -3.103 -4.074 1.00 4.22 C ATOM 987 C GLN A 64 13.355 -4.566 -3.659 1.00 21.50 C ATOM 988 O GLN A 64 13.466 -5.463 -4.495 1.00 33.34 O ATOM 989 CB GLN A 64 15.051 -2.760 -3.836 1.00 71.12 C ATOM 990 CG GLN A 64 15.463 -1.310 -4.092 1.00 61.33 C ATOM 991 CD GLN A 64 15.538 -0.917 -5.557 1.00 52.05 C ATOM 992 OE1 GLN A 64 16.625 -0.803 -6.125 1.00 1.24 O ATOM 993 NE2 GLN A 64 14.408 -0.699 -6.207 1.00 40.13 N ATOM 0 H GLN A 64 13.214 -1.514 -2.755 1.00 22.33 H new ATOM 0 HA GLN A 64 13.319 -2.981 -5.127 1.00 4.22 H new ATOM 0 HB2 GLN A 64 15.297 -3.008 -2.803 1.00 71.12 H new ATOM 0 HB3 GLN A 64 15.658 -3.405 -4.472 1.00 71.12 H new ATOM 0 HG2 GLN A 64 14.754 -0.652 -3.590 1.00 61.33 H new ATOM 0 HG3 GLN A 64 16.437 -1.138 -3.634 1.00 61.33 H new ATOM 0 HE21 GLN A 64 13.515 -0.797 -5.724 1.00 40.13 H new ATOM 0 HE22 GLN A 64 14.429 -0.433 -7.191 1.00 40.13 H new ATOM 1002 N ILE A 65 13.075 -4.824 -2.378 1.00 31.53 N ATOM 1003 CA ILE A 65 12.744 -6.152 -1.864 1.00 4.11 C ATOM 1004 C ILE A 65 11.422 -6.598 -2.500 1.00 2.04 C ATOM 1005 O ILE A 65 11.383 -7.641 -3.150 1.00 73.32 O ATOM 1006 CB ILE A 65 12.767 -6.177 -0.311 1.00 3.30 C ATOM 1007 CG1 ILE A 65 14.137 -5.696 0.234 1.00 64.41 C ATOM 1008 CG2 ILE A 65 12.441 -7.574 0.248 1.00 40.25 C ATOM 1009 CD1 ILE A 65 14.177 -5.464 1.748 1.00 15.04 C ATOM 0 H ILE A 65 13.073 -4.101 -1.658 1.00 31.53 H new ATOM 0 HA ILE A 65 13.500 -6.884 -2.148 1.00 4.11 H new ATOM 0 HB ILE A 65 11.991 -5.490 0.026 1.00 3.30 H new ATOM 0 HG12 ILE A 65 14.896 -6.433 -0.027 1.00 64.41 H new ATOM 0 HG13 ILE A 65 14.408 -4.768 -0.270 1.00 64.41 H new ATOM 0 HG21 ILE A 65 12.468 -7.545 1.337 1.00 40.25 H new ATOM 0 HG22 ILE A 65 11.447 -7.875 -0.082 1.00 40.25 H new ATOM 0 HG23 ILE A 65 13.177 -8.292 -0.115 1.00 40.25 H new ATOM 0 HD11 ILE A 65 15.173 -5.130 2.039 1.00 15.04 H new ATOM 0 HD12 ILE A 65 13.445 -4.703 2.019 1.00 15.04 H new ATOM 0 HD13 ILE A 65 13.941 -6.394 2.265 1.00 15.04 H new ATOM 1021 N LEU A 66 10.353 -5.800 -2.391 1.00 31.23 N ATOM 1022 CA LEU A 66 9.064 -6.070 -3.028 1.00 74.45 C ATOM 1023 C LEU A 66 9.148 -6.248 -4.547 1.00 2.02 C ATOM 1024 O LEU A 66 8.234 -6.822 -5.139 1.00 22.43 O ATOM 1025 CB LEU A 66 8.019 -4.985 -2.722 1.00 61.44 C ATOM 1026 CG LEU A 66 7.549 -4.896 -1.261 1.00 43.03 C ATOM 1027 CD1 LEU A 66 6.437 -3.842 -1.158 1.00 33.31 C ATOM 1028 CD2 LEU A 66 6.983 -6.208 -0.708 1.00 71.23 C ATOM 0 H LEU A 66 10.362 -4.936 -1.849 1.00 31.23 H new ATOM 0 HA LEU A 66 8.750 -7.018 -2.591 1.00 74.45 H new ATOM 0 HB2 LEU A 66 8.433 -4.018 -3.009 1.00 61.44 H new ATOM 0 HB3 LEU A 66 7.148 -5.159 -3.353 1.00 61.44 H new ATOM 0 HG LEU A 66 8.432 -4.641 -0.675 1.00 43.03 H new ATOM 0 HD11 LEU A 66 6.097 -3.772 -0.125 1.00 33.31 H new ATOM 0 HD12 LEU A 66 6.822 -2.874 -1.480 1.00 33.31 H new ATOM 0 HD13 LEU A 66 5.602 -4.131 -1.796 1.00 33.31 H new ATOM 0 HD21 LEU A 66 6.674 -6.063 0.327 1.00 71.23 H new ATOM 0 HD22 LEU A 66 6.123 -6.513 -1.304 1.00 71.23 H new ATOM 0 HD23 LEU A 66 7.749 -6.982 -0.753 1.00 71.23 H new ATOM 1040 N GLN A 67 10.217 -5.785 -5.193 1.00 63.52 N ATOM 1041 CA GLN A 67 10.402 -5.921 -6.630 1.00 41.45 C ATOM 1042 C GLN A 67 11.296 -7.110 -6.975 1.00 63.24 C ATOM 1043 O GLN A 67 11.644 -7.299 -8.143 1.00 35.52 O ATOM 1044 CB GLN A 67 10.994 -4.605 -7.147 1.00 11.03 C ATOM 1045 CG GLN A 67 9.912 -3.530 -7.062 1.00 53.05 C ATOM 1046 CD GLN A 67 10.387 -2.134 -7.432 1.00 63.23 C ATOM 1047 OE1 GLN A 67 11.576 -1.828 -7.513 1.00 62.44 O ATOM 1048 NE2 GLN A 67 9.433 -1.245 -7.625 1.00 52.44 N ATOM 0 H GLN A 67 10.984 -5.301 -4.726 1.00 63.52 H new ATOM 0 HA GLN A 67 9.444 -6.118 -7.111 1.00 41.45 H new ATOM 0 HB2 GLN A 67 11.862 -4.319 -6.553 1.00 11.03 H new ATOM 0 HB3 GLN A 67 11.336 -4.720 -8.176 1.00 11.03 H new ATOM 0 HG2 GLN A 67 9.088 -3.807 -7.720 1.00 53.05 H new ATOM 0 HG3 GLN A 67 9.516 -3.509 -6.047 1.00 53.05 H new ATOM 0 HE21 GLN A 67 8.454 -1.523 -7.552 1.00 52.44 H new ATOM 0 HE22 GLN A 67 9.673 -0.279 -7.847 1.00 52.44 H new ATOM 1057 N ALA A 68 11.562 -7.992 -6.015 1.00 42.34 N ATOM 1058 CA ALA A 68 12.478 -9.114 -6.179 1.00 75.35 C ATOM 1059 C ALA A 68 12.117 -10.373 -5.381 1.00 73.13 C ATOM 1060 O ALA A 68 12.589 -11.464 -5.719 1.00 32.31 O ATOM 1061 CB ALA A 68 13.889 -8.637 -5.814 1.00 11.40 C ATOM 0 H ALA A 68 11.140 -7.945 -5.088 1.00 42.34 H new ATOM 0 HA ALA A 68 12.411 -9.425 -7.221 1.00 75.35 H new ATOM 0 HB1 ALA A 68 14.593 -9.461 -5.929 1.00 11.40 H new ATOM 0 HB2 ALA A 68 14.178 -7.818 -6.473 1.00 11.40 H new ATOM 0 HB3 ALA A 68 13.900 -8.292 -4.780 1.00 11.40 H new ATOM 1067 N LEU A 69 11.323 -10.243 -4.321 1.00 74.42 N ATOM 1068 CA LEU A 69 10.865 -11.351 -3.493 1.00 64.45 C ATOM 1069 C LEU A 69 9.669 -12.089 -4.108 1.00 51.12 C ATOM 1070 O LEU A 69 9.210 -11.759 -5.207 1.00 32.21 O ATOM 1071 CB LEU A 69 10.589 -10.875 -2.070 1.00 41.21 C ATOM 1072 CG LEU A 69 9.421 -9.894 -1.855 1.00 60.23 C ATOM 1073 CD1 LEU A 69 8.468 -9.529 -3.007 1.00 75.35 C ATOM 1074 CD2 LEU A 69 8.580 -10.397 -0.692 1.00 42.42 C ATOM 0 H LEU A 69 10.972 -9.338 -4.007 1.00 74.42 H new ATOM 0 HA LEU A 69 11.668 -12.086 -3.448 1.00 64.45 H new ATOM 0 HB2 LEU A 69 10.406 -11.754 -1.452 1.00 41.21 H new ATOM 0 HB3 LEU A 69 11.496 -10.403 -1.693 1.00 41.21 H new ATOM 0 HG LEU A 69 9.953 -8.956 -1.697 1.00 60.23 H new ATOM 0 HD11 LEU A 69 7.716 -8.826 -2.648 1.00 75.35 H new ATOM 0 HD12 LEU A 69 9.035 -9.072 -3.818 1.00 75.35 H new ATOM 0 HD13 LEU A 69 7.976 -10.431 -3.372 1.00 75.35 H new ATOM 0 HD21 LEU A 69 7.747 -9.715 -0.524 1.00 42.42 H new ATOM 0 HD22 LEU A 69 8.195 -11.390 -0.924 1.00 42.42 H new ATOM 0 HD23 LEU A 69 9.195 -10.447 0.207 1.00 42.42 H new ATOM 1086 N HIS A 70 9.127 -13.056 -3.364 1.00 55.01 N ATOM 1087 CA HIS A 70 7.885 -13.737 -3.708 1.00 21.03 C ATOM 1088 C HIS A 70 6.642 -12.855 -3.460 1.00 3.22 C ATOM 1089 O HIS A 70 6.561 -12.153 -2.453 1.00 34.21 O ATOM 1090 CB HIS A 70 7.754 -15.036 -2.896 1.00 31.52 C ATOM 1091 CG HIS A 70 8.145 -16.291 -3.633 1.00 14.22 C ATOM 1092 ND1 HIS A 70 8.017 -16.541 -4.986 1.00 13.23 N ATOM 1093 CD2 HIS A 70 8.572 -17.444 -3.035 1.00 64.12 C ATOM 1094 CE1 HIS A 70 8.357 -17.817 -5.195 1.00 22.20 C ATOM 1095 NE2 HIS A 70 8.682 -18.415 -4.035 1.00 22.52 N ATOM 0 H HIS A 70 9.546 -13.389 -2.496 1.00 55.01 H new ATOM 0 HA HIS A 70 7.929 -13.960 -4.774 1.00 21.03 H new ATOM 0 HB2 HIS A 70 8.371 -14.951 -2.001 1.00 31.52 H new ATOM 0 HB3 HIS A 70 6.721 -15.136 -2.563 1.00 31.52 H new ATOM 0 HD2 HIS A 70 8.785 -17.580 -1.985 1.00 64.12 H new ATOM 0 HE1 HIS A 70 8.369 -18.300 -6.161 1.00 22.20 H new ATOM 0 HE2 HIS A 70 8.956 -19.389 -3.909 1.00 22.52 H new ATOM 1103 N PRO A 71 5.609 -12.965 -4.298 1.00 72.44 N ATOM 1104 CA PRO A 71 4.440 -12.099 -4.321 1.00 44.53 C ATOM 1105 C PRO A 71 3.563 -12.209 -3.061 1.00 41.12 C ATOM 1106 O PRO A 71 3.623 -13.205 -2.335 1.00 62.25 O ATOM 1107 CB PRO A 71 3.667 -12.514 -5.578 1.00 22.00 C ATOM 1108 CG PRO A 71 4.044 -13.987 -5.723 1.00 52.41 C ATOM 1109 CD PRO A 71 5.499 -13.999 -5.286 1.00 24.02 C ATOM 0 HA PRO A 71 4.742 -11.052 -4.337 1.00 44.53 H new ATOM 0 HB2 PRO A 71 2.592 -12.380 -5.457 1.00 22.00 H new ATOM 0 HB3 PRO A 71 3.965 -11.931 -6.449 1.00 22.00 H new ATOM 0 HG2 PRO A 71 3.426 -14.628 -5.094 1.00 52.41 H new ATOM 0 HG3 PRO A 71 3.925 -14.337 -6.748 1.00 52.41 H new ATOM 0 HD2 PRO A 71 5.777 -14.968 -4.873 1.00 24.02 H new ATOM 0 HD3 PRO A 71 6.164 -13.809 -6.129 1.00 24.02 H new ATOM 1117 N PRO A 72 2.722 -11.193 -2.803 1.00 20.40 N ATOM 1118 CA PRO A 72 1.974 -11.071 -1.559 1.00 31.01 C ATOM 1119 C PRO A 72 0.749 -11.983 -1.451 1.00 52.31 C ATOM 1120 O PRO A 72 0.005 -12.197 -2.411 1.00 64.11 O ATOM 1121 CB PRO A 72 1.533 -9.609 -1.504 1.00 40.15 C ATOM 1122 CG PRO A 72 1.572 -9.113 -2.934 1.00 14.41 C ATOM 1123 CD PRO A 72 2.667 -9.953 -3.565 1.00 21.02 C ATOM 0 HA PRO A 72 2.612 -11.378 -0.730 1.00 31.01 H new ATOM 0 HB2 PRO A 72 0.531 -9.518 -1.086 1.00 40.15 H new ATOM 0 HB3 PRO A 72 2.198 -9.024 -0.869 1.00 40.15 H new ATOM 0 HG2 PRO A 72 0.615 -9.257 -3.436 1.00 14.41 H new ATOM 0 HG3 PRO A 72 1.802 -8.049 -2.985 1.00 14.41 H new ATOM 0 HD2 PRO A 72 2.449 -10.151 -4.614 1.00 21.02 H new ATOM 0 HD3 PRO A 72 3.624 -9.433 -3.531 1.00 21.02 H new ATOM 1131 N LEU A 73 0.442 -12.383 -0.220 1.00 33.21 N ATOM 1132 CA LEU A 73 -0.746 -13.105 0.218 1.00 2.21 C ATOM 1133 C LEU A 73 -1.961 -12.191 0.089 1.00 62.41 C ATOM 1134 O LEU A 73 -1.961 -11.061 0.578 1.00 15.50 O ATOM 1135 CB LEU A 73 -0.480 -13.638 1.637 1.00 23.11 C ATOM 1136 CG LEU A 73 -1.450 -14.716 2.161 1.00 0.22 C ATOM 1137 CD1 LEU A 73 -2.689 -14.049 2.730 1.00 62.05 C ATOM 1138 CD2 LEU A 73 -1.870 -15.745 1.105 1.00 62.33 C ATOM 0 H LEU A 73 1.071 -12.194 0.560 1.00 33.21 H new ATOM 0 HA LEU A 73 -0.968 -13.972 -0.404 1.00 2.21 H new ATOM 0 HB2 LEU A 73 0.530 -14.046 1.664 1.00 23.11 H new ATOM 0 HB3 LEU A 73 -0.502 -12.795 2.328 1.00 23.11 H new ATOM 0 HG LEU A 73 -0.907 -15.266 2.930 1.00 0.22 H new ATOM 0 HD11 LEU A 73 -3.375 -14.811 3.100 1.00 62.05 H new ATOM 0 HD12 LEU A 73 -2.403 -13.389 3.549 1.00 62.05 H new ATOM 0 HD13 LEU A 73 -3.180 -13.467 1.950 1.00 62.05 H new ATOM 0 HD21 LEU A 73 -2.552 -16.468 1.553 1.00 62.33 H new ATOM 0 HD22 LEU A 73 -2.370 -15.237 0.280 1.00 62.33 H new ATOM 0 HD23 LEU A 73 -0.987 -16.263 0.730 1.00 62.33 H new ATOM 1150 N THR A 74 -2.954 -12.632 -0.676 1.00 34.10 N ATOM 1151 CA THR A 74 -4.205 -11.909 -0.908 1.00 12.40 C ATOM 1152 C THR A 74 -5.106 -11.998 0.329 1.00 52.55 C ATOM 1153 O THR A 74 -5.236 -13.055 0.939 1.00 20.43 O ATOM 1154 CB THR A 74 -4.917 -12.422 -2.179 1.00 52.11 C ATOM 1155 OG1 THR A 74 -6.300 -12.163 -2.100 1.00 3.34 O ATOM 1156 CG2 THR A 74 -4.817 -13.919 -2.438 1.00 13.40 C ATOM 0 H THR A 74 -2.912 -13.526 -1.166 1.00 34.10 H new ATOM 0 HA THR A 74 -3.974 -10.857 -1.078 1.00 12.40 H new ATOM 0 HB THR A 74 -4.402 -11.893 -2.981 1.00 52.11 H new ATOM 0 HG1 THR A 74 -6.794 -13.008 -2.148 1.00 3.34 H new ATOM 0 HG21 THR A 74 -5.352 -14.166 -3.355 1.00 13.40 H new ATOM 0 HG22 THR A 74 -3.769 -14.201 -2.542 1.00 13.40 H new ATOM 0 HG23 THR A 74 -5.258 -14.463 -1.603 1.00 13.40 H new ATOM 1164 N ILE A 75 -5.843 -10.921 0.617 1.00 74.42 N ATOM 1165 CA ILE A 75 -6.706 -10.807 1.793 1.00 43.31 C ATOM 1166 C ILE A 75 -8.142 -10.407 1.416 1.00 54.35 C ATOM 1167 O ILE A 75 -8.868 -9.875 2.255 1.00 72.33 O ATOM 1168 CB ILE A 75 -6.087 -9.883 2.881 1.00 51.42 C ATOM 1169 CG1 ILE A 75 -4.548 -9.740 2.888 1.00 60.12 C ATOM 1170 CG2 ILE A 75 -6.537 -10.424 4.248 1.00 42.35 C ATOM 1171 CD1 ILE A 75 -4.008 -8.713 1.883 1.00 64.25 C ATOM 0 H ILE A 75 -5.856 -10.089 0.027 1.00 74.42 H new ATOM 0 HA ILE A 75 -6.775 -11.799 2.240 1.00 43.31 H new ATOM 0 HB ILE A 75 -6.446 -8.879 2.652 1.00 51.42 H new ATOM 0 HG12 ILE A 75 -4.225 -9.456 3.890 1.00 60.12 H new ATOM 0 HG13 ILE A 75 -4.103 -10.711 2.673 1.00 60.12 H new ATOM 0 HG21 ILE A 75 -6.122 -9.801 5.040 1.00 42.35 H new ATOM 0 HG22 ILE A 75 -7.625 -10.407 4.306 1.00 42.35 H new ATOM 0 HG23 ILE A 75 -6.183 -11.448 4.369 1.00 42.35 H new ATOM 0 HD11 ILE A 75 -2.921 -8.674 1.952 1.00 64.25 H new ATOM 0 HD12 ILE A 75 -4.298 -9.005 0.873 1.00 64.25 H new ATOM 0 HD13 ILE A 75 -4.422 -7.730 2.109 1.00 64.25 H new ATOM 1183 N ASP A 76 -8.545 -10.560 0.152 1.00 21.20 N ATOM 1184 CA ASP A 76 -9.961 -10.473 -0.263 1.00 12.11 C ATOM 1185 C ASP A 76 -10.139 -11.063 -1.672 1.00 40.44 C ATOM 1186 O ASP A 76 -10.942 -10.578 -2.469 1.00 31.40 O ATOM 1187 CB ASP A 76 -10.465 -9.016 -0.206 1.00 52.31 C ATOM 1188 CG ASP A 76 -11.986 -8.889 -0.133 1.00 74.23 C ATOM 1189 OD1 ASP A 76 -12.517 -8.042 -0.884 1.00 71.23 O ATOM 1190 OD2 ASP A 76 -12.609 -9.548 0.733 1.00 0.43 O ATOM 0 H ASP A 76 -7.904 -10.748 -0.619 1.00 21.20 H new ATOM 0 HA ASP A 76 -10.561 -11.058 0.434 1.00 12.11 H new ATOM 0 HB2 ASP A 76 -10.027 -8.524 0.663 1.00 52.31 H new ATOM 0 HB3 ASP A 76 -10.108 -8.484 -1.087 1.00 52.31 H new ATOM 1195 N GLY A 77 -9.290 -12.029 -2.035 1.00 33.21 N ATOM 1196 CA GLY A 77 -9.173 -12.556 -3.393 1.00 3.43 C ATOM 1197 C GLY A 77 -8.502 -11.607 -4.392 1.00 43.35 C ATOM 1198 O GLY A 77 -8.614 -11.832 -5.597 1.00 32.30 O ATOM 0 H GLY A 77 -8.652 -12.475 -1.376 1.00 33.21 H new ATOM 0 HA2 GLY A 77 -8.606 -13.487 -3.360 1.00 3.43 H new ATOM 0 HA3 GLY A 77 -10.169 -12.803 -3.760 1.00 3.43 H new ATOM 1202 N LYS A 78 -7.765 -10.584 -3.942 1.00 74.15 N ATOM 1203 CA LYS A 78 -6.996 -9.642 -4.748 1.00 22.44 C ATOM 1204 C LYS A 78 -5.512 -9.671 -4.354 1.00 64.21 C ATOM 1205 O LYS A 78 -5.181 -9.383 -3.203 1.00 0.43 O ATOM 1206 CB LYS A 78 -7.624 -8.248 -4.597 1.00 43.43 C ATOM 1207 CG LYS A 78 -8.187 -7.867 -3.210 1.00 64.15 C ATOM 1208 CD LYS A 78 -7.181 -7.721 -2.060 1.00 21.03 C ATOM 1209 CE LYS A 78 -7.764 -6.917 -0.897 1.00 0.10 C ATOM 1210 NZ LYS A 78 -6.935 -6.951 0.324 1.00 54.43 N ATOM 0 H LYS A 78 -7.688 -10.384 -2.945 1.00 74.15 H new ATOM 0 HA LYS A 78 -7.031 -9.924 -5.800 1.00 22.44 H new ATOM 0 HB2 LYS A 78 -6.871 -7.508 -4.869 1.00 43.43 H new ATOM 0 HB3 LYS A 78 -8.432 -8.162 -5.323 1.00 43.43 H new ATOM 0 HG2 LYS A 78 -8.724 -6.924 -3.311 1.00 64.15 H new ATOM 0 HG3 LYS A 78 -8.920 -8.622 -2.924 1.00 64.15 H new ATOM 0 HD2 LYS A 78 -6.886 -8.709 -1.707 1.00 21.03 H new ATOM 0 HD3 LYS A 78 -6.279 -7.230 -2.426 1.00 21.03 H new ATOM 0 HE2 LYS A 78 -7.890 -5.881 -1.211 1.00 0.10 H new ATOM 0 HE3 LYS A 78 -8.756 -7.302 -0.662 1.00 0.10 H new ATOM 0 HZ1 LYS A 78 -7.542 -6.826 1.159 1.00 54.43 H new ATOM 0 HZ2 LYS A 78 -6.445 -7.866 0.386 1.00 54.43 H new ATOM 0 HZ3 LYS A 78 -6.233 -6.184 0.289 1.00 54.43 H new ATOM 1224 N THR A 79 -4.598 -10.014 -5.264 1.00 40.33 N ATOM 1225 CA THR A 79 -3.172 -9.931 -4.964 1.00 12.12 C ATOM 1226 C THR A 79 -2.708 -8.468 -4.958 1.00 20.24 C ATOM 1227 O THR A 79 -2.906 -7.775 -5.951 1.00 2.31 O ATOM 1228 CB THR A 79 -2.314 -10.733 -5.952 1.00 34.12 C ATOM 1229 OG1 THR A 79 -3.031 -11.726 -6.667 1.00 15.42 O ATOM 1230 CG2 THR A 79 -1.143 -11.380 -5.206 1.00 54.44 C ATOM 0 H THR A 79 -4.818 -10.347 -6.202 1.00 40.33 H new ATOM 0 HA THR A 79 -3.037 -10.368 -3.975 1.00 12.12 H new ATOM 0 HB THR A 79 -1.958 -10.021 -6.696 1.00 34.12 H new ATOM 0 HG1 THR A 79 -2.423 -12.194 -7.276 1.00 15.42 H new ATOM 0 HG21 THR A 79 -0.534 -11.949 -5.908 1.00 54.44 H new ATOM 0 HG22 THR A 79 -0.533 -10.604 -4.743 1.00 54.44 H new ATOM 0 HG23 THR A 79 -1.527 -12.048 -4.435 1.00 54.44 H new ATOM 1238 N ILE A 80 -2.096 -7.978 -3.882 1.00 74.41 N ATOM 1239 CA ILE A 80 -1.620 -6.599 -3.787 1.00 33.24 C ATOM 1240 C ILE A 80 -0.459 -6.373 -4.769 1.00 43.32 C ATOM 1241 O ILE A 80 0.362 -7.266 -4.999 1.00 14.21 O ATOM 1242 CB ILE A 80 -1.229 -6.294 -2.319 1.00 55.54 C ATOM 1243 CG1 ILE A 80 -2.350 -6.631 -1.304 1.00 41.31 C ATOM 1244 CG2 ILE A 80 -0.808 -4.827 -2.132 1.00 32.14 C ATOM 1245 CD1 ILE A 80 -3.722 -6.056 -1.669 1.00 40.15 C ATOM 0 H ILE A 80 -1.915 -8.531 -3.044 1.00 74.41 H new ATOM 0 HA ILE A 80 -2.411 -5.904 -4.070 1.00 33.24 H new ATOM 0 HB ILE A 80 -0.380 -6.946 -2.113 1.00 55.54 H new ATOM 0 HG12 ILE A 80 -2.434 -7.714 -1.219 1.00 41.31 H new ATOM 0 HG13 ILE A 80 -2.061 -6.256 -0.322 1.00 41.31 H new ATOM 0 HG21 ILE A 80 -0.542 -4.655 -1.089 1.00 32.14 H new ATOM 0 HG22 ILE A 80 0.052 -4.612 -2.766 1.00 32.14 H new ATOM 0 HG23 ILE A 80 -1.635 -4.173 -2.408 1.00 32.14 H new ATOM 0 HD11 ILE A 80 -4.449 -6.338 -0.907 1.00 40.15 H new ATOM 0 HD12 ILE A 80 -3.658 -4.969 -1.725 1.00 40.15 H new ATOM 0 HD13 ILE A 80 -4.037 -6.451 -2.635 1.00 40.15 H new ATOM 1257 N ASN A 81 -0.336 -5.155 -5.304 1.00 21.04 N ATOM 1258 CA ASN A 81 0.766 -4.736 -6.160 1.00 51.43 C ATOM 1259 C ASN A 81 1.366 -3.423 -5.690 1.00 53.14 C ATOM 1260 O ASN A 81 0.856 -2.836 -4.735 1.00 31.30 O ATOM 1261 CB ASN A 81 0.270 -4.618 -7.596 1.00 20.01 C ATOM 1262 CG ASN A 81 0.543 -5.918 -8.340 1.00 32.04 C ATOM 1263 OD1 ASN A 81 1.650 -6.443 -8.310 1.00 60.01 O ATOM 1264 ND2 ASN A 81 -0.429 -6.498 -9.005 1.00 20.24 N ATOM 0 H ASN A 81 -1.022 -4.416 -5.146 1.00 21.04 H new ATOM 0 HA ASN A 81 1.554 -5.487 -6.108 1.00 51.43 H new ATOM 0 HB2 ASN A 81 -0.798 -4.399 -7.606 1.00 20.01 H new ATOM 0 HB3 ASN A 81 0.770 -3.789 -8.097 1.00 20.01 H new ATOM 0 HD21 ASN A 81 -0.260 -7.378 -9.491 1.00 20.24 H new ATOM 0 HD22 ASN A 81 -1.354 -6.068 -9.035 1.00 20.24 H new ATOM 1271 N VAL A 82 2.436 -2.979 -6.356 1.00 72.01 N ATOM 1272 CA VAL A 82 3.297 -1.894 -5.896 1.00 41.52 C ATOM 1273 C VAL A 82 3.553 -0.935 -7.061 1.00 20.43 C ATOM 1274 O VAL A 82 3.882 -1.375 -8.162 1.00 40.54 O ATOM 1275 CB VAL A 82 4.635 -2.457 -5.338 1.00 54.21 C ATOM 1276 CG1 VAL A 82 5.290 -1.441 -4.397 1.00 74.34 C ATOM 1277 CG2 VAL A 82 4.463 -3.775 -4.560 1.00 35.23 C ATOM 0 H VAL A 82 2.731 -3.375 -7.249 1.00 72.01 H new ATOM 0 HA VAL A 82 2.804 -1.354 -5.087 1.00 41.52 H new ATOM 0 HB VAL A 82 5.259 -2.651 -6.210 1.00 54.21 H new ATOM 0 HG11 VAL A 82 6.225 -1.850 -4.015 1.00 74.34 H new ATOM 0 HG12 VAL A 82 5.493 -0.519 -4.941 1.00 74.34 H new ATOM 0 HG13 VAL A 82 4.619 -1.231 -3.564 1.00 74.34 H new ATOM 0 HG21 VAL A 82 5.434 -4.113 -4.198 1.00 35.23 H new ATOM 0 HG22 VAL A 82 3.796 -3.613 -3.713 1.00 35.23 H new ATOM 0 HG23 VAL A 82 4.037 -4.533 -5.218 1.00 35.23 H new ATOM 1287 N GLU A 83 3.486 0.369 -6.821 1.00 3.11 N ATOM 1288 CA GLU A 83 4.123 1.388 -7.643 1.00 20.23 C ATOM 1289 C GLU A 83 5.005 2.242 -6.743 1.00 35.13 C ATOM 1290 O GLU A 83 4.852 2.280 -5.521 1.00 52.13 O ATOM 1291 CB GLU A 83 3.089 2.269 -8.371 1.00 44.55 C ATOM 1292 CG GLU A 83 2.860 1.841 -9.822 1.00 12.24 C ATOM 1293 CD GLU A 83 1.909 2.800 -10.549 1.00 21.43 C ATOM 1294 OE1 GLU A 83 0.696 2.498 -10.691 1.00 52.24 O ATOM 1295 OE2 GLU A 83 2.348 3.909 -10.925 1.00 72.14 O ATOM 0 H GLU A 83 2.974 0.756 -6.028 1.00 3.11 H new ATOM 0 HA GLU A 83 4.720 0.900 -8.414 1.00 20.23 H new ATOM 0 HB2 GLU A 83 2.142 2.230 -7.832 1.00 44.55 H new ATOM 0 HB3 GLU A 83 3.425 3.306 -8.352 1.00 44.55 H new ATOM 0 HG2 GLU A 83 3.815 1.807 -10.347 1.00 12.24 H new ATOM 0 HG3 GLU A 83 2.448 0.832 -9.844 1.00 12.24 H new ATOM 1302 N PHE A 84 5.891 2.989 -7.383 1.00 62.43 N ATOM 1303 CA PHE A 84 6.824 3.914 -6.764 1.00 55.52 C ATOM 1304 C PHE A 84 6.484 5.281 -7.328 1.00 24.04 C ATOM 1305 O PHE A 84 6.632 5.499 -8.528 1.00 71.02 O ATOM 1306 CB PHE A 84 8.256 3.477 -7.084 1.00 34.10 C ATOM 1307 CG PHE A 84 9.362 4.370 -6.545 1.00 75.31 C ATOM 1308 CD1 PHE A 84 9.454 4.655 -5.166 1.00 14.30 C ATOM 1309 CD2 PHE A 84 10.363 4.838 -7.418 1.00 60.55 C ATOM 1310 CE1 PHE A 84 10.558 5.368 -4.665 1.00 4.21 C ATOM 1311 CE2 PHE A 84 11.455 5.565 -6.915 1.00 74.45 C ATOM 1312 CZ PHE A 84 11.559 5.820 -5.539 1.00 71.15 C ATOM 0 H PHE A 84 5.982 2.964 -8.399 1.00 62.43 H new ATOM 0 HA PHE A 84 6.750 3.937 -5.677 1.00 55.52 H new ATOM 0 HB2 PHE A 84 8.404 2.471 -6.691 1.00 34.10 H new ATOM 0 HB3 PHE A 84 8.362 3.415 -8.167 1.00 34.10 H new ATOM 0 HD1 PHE A 84 8.675 4.325 -4.494 1.00 14.30 H new ATOM 0 HD2 PHE A 84 10.291 4.638 -8.477 1.00 60.55 H new ATOM 0 HE1 PHE A 84 10.636 5.568 -3.607 1.00 4.21 H new ATOM 0 HE2 PHE A 84 12.216 5.929 -7.589 1.00 74.45 H new ATOM 0 HZ PHE A 84 12.409 6.364 -5.153 1.00 71.15 H new ATOM 1322 N ALA A 85 5.960 6.171 -6.494 1.00 1.41 N ATOM 1323 CA ALA A 85 5.436 7.468 -6.891 1.00 42.24 C ATOM 1324 C ALA A 85 6.322 8.564 -6.314 1.00 64.15 C ATOM 1325 O ALA A 85 5.837 9.512 -5.689 1.00 42.32 O ATOM 1326 CB ALA A 85 3.984 7.565 -6.432 1.00 24.02 C ATOM 0 H ALA A 85 5.887 6.002 -5.491 1.00 1.41 H new ATOM 0 HA ALA A 85 5.447 7.592 -7.974 1.00 42.24 H new ATOM 0 HB1 ALA A 85 3.575 8.533 -6.722 1.00 24.02 H new ATOM 0 HB2 ALA A 85 3.401 6.770 -6.898 1.00 24.02 H new ATOM 0 HB3 ALA A 85 3.937 7.461 -5.348 1.00 24.02 H new ATOM 1332 N LYS A 86 7.639 8.418 -6.475 1.00 41.44 N ATOM 1333 CA LYS A 86 8.581 9.435 -6.040 1.00 72.34 C ATOM 1334 C LYS A 86 8.397 10.651 -6.934 1.00 11.54 C ATOM 1335 O LYS A 86 8.930 10.687 -8.034 1.00 32.12 O ATOM 1336 CB LYS A 86 10.009 8.885 -6.026 1.00 64.25 C ATOM 1337 CG LYS A 86 10.678 9.229 -4.692 1.00 2.40 C ATOM 1338 CD LYS A 86 10.959 10.722 -4.494 1.00 2.41 C ATOM 1339 CE LYS A 86 9.832 11.611 -3.952 1.00 3.43 C ATOM 1340 NZ LYS A 86 10.221 13.038 -3.970 1.00 2.14 N ATOM 0 H LYS A 86 8.072 7.601 -6.905 1.00 41.44 H new ATOM 0 HA LYS A 86 8.389 9.739 -5.011 1.00 72.34 H new ATOM 0 HB2 LYS A 86 9.995 7.805 -6.170 1.00 64.25 H new ATOM 0 HB3 LYS A 86 10.581 9.309 -6.851 1.00 64.25 H new ATOM 0 HG2 LYS A 86 10.041 8.880 -3.879 1.00 2.40 H new ATOM 0 HG3 LYS A 86 11.618 8.682 -4.618 1.00 2.40 H new ATOM 0 HD2 LYS A 86 11.808 10.813 -3.817 1.00 2.41 H new ATOM 0 HD3 LYS A 86 11.272 11.131 -5.455 1.00 2.41 H new ATOM 0 HE2 LYS A 86 8.933 11.469 -4.552 1.00 3.43 H new ATOM 0 HE3 LYS A 86 9.587 11.311 -2.933 1.00 3.43 H new ATOM 0 HZ1 LYS A 86 9.368 13.631 -3.930 1.00 2.14 H new ATOM 0 HZ2 LYS A 86 10.824 13.244 -3.148 1.00 2.14 H new ATOM 0 HZ3 LYS A 86 10.745 13.244 -4.844 1.00 2.14 H new ATOM 1354 N GLY A 87 7.623 11.615 -6.439 1.00 31.30 N ATOM 1355 CA GLY A 87 7.299 12.846 -7.144 1.00 64.43 C ATOM 1356 C GLY A 87 8.560 13.555 -7.629 1.00 34.40 C ATOM 1357 O GLY A 87 8.944 13.424 -8.790 1.00 73.42 O ATOM 0 H GLY A 87 7.196 11.557 -5.515 1.00 31.30 H new ATOM 0 HA2 GLY A 87 6.655 12.622 -7.995 1.00 64.43 H new ATOM 0 HA3 GLY A 87 6.737 13.508 -6.485 1.00 64.43 H new ATOM 1361 N SER A 88 9.231 14.245 -6.699 1.00 14.12 N ATOM 1362 CA SER A 88 10.352 15.133 -7.001 1.00 52.33 C ATOM 1363 C SER A 88 9.971 16.080 -8.138 1.00 72.31 C ATOM 1364 O SER A 88 8.810 16.559 -8.089 1.00 64.04 O ATOM 1365 CB SER A 88 11.616 14.319 -7.240 1.00 60.32 C ATOM 1366 OG SER A 88 12.022 13.694 -6.029 1.00 34.10 O ATOM 0 H SER A 88 9.006 14.200 -5.705 1.00 14.12 H new ATOM 0 HA SER A 88 10.580 15.774 -6.149 1.00 52.33 H new ATOM 0 HB2 SER A 88 11.435 13.565 -8.006 1.00 60.32 H new ATOM 0 HB3 SER A 88 12.411 14.966 -7.611 1.00 60.32 H new ATOM 0 HG SER A 88 12.835 13.170 -6.188 1.00 34.10 H new TER 1372 SER A 88