USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 726 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 41 THR OG1 : rot 136:sc= 0.708 USER MOD Set 1.2: A 43 SER OG : rot 180:sc= 0.556 USER MOD Single : A 1 MET CE :methyl -171:sc= -0.535 (180deg=-0.711) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.152 (180deg=-0.316) USER MOD Single : A 4 TYR OH : rot 30:sc= 0 USER MOD Single : A 6 THR OG1 : rot 72:sc= 0.537 USER MOD Single : A 9 GLN : amide:sc=-0.00264 K(o=-0.0026,f=-1.2) USER MOD Single : A 12 THR OG1 : rot -86:sc= 1.23 USER MOD Single : A 13 ASN : amide:sc= 1.17 K(o=1.2,f=-0.036) USER MOD Single : A 14 ASN : amide:sc= 1.75 K(o=1.7,f=-3.3!) USER MOD Single : A 16 THR OG1 : rot -73:sc= 0.76 USER MOD Single : A 22 GLN : amide:sc= 0.381 K(o=0.38,f=-0.54) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 1.04 (180deg=1.04) USER MOD Single : A 25 SER OG : rot 78:sc= 1.27 USER MOD Single : A 27 CYS SG : rot -174:sc= 1.14 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -36:sc= 1.1 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -25:sc= 1.19 USER MOD Single : A 51 SER OG : rot 78:sc= 1.01 USER MOD Single : A 52 HIS : no HE2:sc= -0.329 K(o=-0.33,f=-1.5) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.37 K(o=0.37,f=-1.3!) USER MOD Single : A 61 SER OG : rot 72:sc= 1.17 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HE2:sc= 1.04 K(o=1,f=-3.2!) USER MOD Single : A 70 SER OG : rot -22:sc= 0.382 USER MOD Single : A 77 THR OG1 : rot 70:sc= 0.268 USER MOD Single : A 78 MET CE :methyl -165:sc= -0.0562 (180deg=-0.377) USER MOD Single : A 82 TYR OH : rot 33:sc= 1.17 USER MOD Single : A 84 THR OG1 : rot 76:sc= 1.23 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.167 0.157 -1.201 1.00 0.00 N0 ATOM 2 CA MET A 1 2.208 1.269 -2.144 1.00 0.00 C0 ATOM 3 C MET A 1 3.373 2.203 -1.844 1.00 0.00 C0 ATOM 4 O MET A 1 3.615 3.165 -2.574 1.00 0.00 O0 ATOM 5 CB MET A 1 0.888 2.035 -2.116 1.00 0.00 C0 ATOM 6 CG MET A 1 -0.314 1.237 -2.600 1.00 0.00 C0 ATOM 7 SD MET A 1 -0.200 0.797 -4.346 1.00 0.00 S0 ATOM 8 CE MET A 1 -0.481 2.389 -5.115 1.00 0.00 C0 ATOM 0 H1 MET A 1 1.488 -0.556 -1.535 1.00 0.00 H new ATOM 0 H2 MET A 1 3.112 -0.272 -1.128 1.00 0.00 H new ATOM 0 H3 MET A 1 1.872 0.505 -0.266 1.00 0.00 H new ATOM 0 HA MET A 1 2.356 0.860 -3.143 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.699 2.371 -1.096 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.988 2.928 -2.733 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.405 0.328 -2.006 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.221 1.818 -2.434 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.600 2.258 -6.190 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.384 2.838 -4.702 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.370 3.042 -4.921 1.00 0.00 H new ATOM 20 N ALA A 2 4.092 1.916 -0.764 1.00 0.00 N0 ATOM 21 CA ALA A 2 5.217 2.745 -0.350 1.00 0.00 C0 ATOM 22 C ALA A 2 6.340 2.703 -1.378 1.00 0.00 C0 ATOM 23 O ALA A 2 6.945 3.728 -1.692 1.00 0.00 O0 ATOM 24 CB ALA A 2 5.731 2.300 1.011 1.00 0.00 C0 ATOM 0 H ALA A 2 3.915 1.114 -0.159 1.00 0.00 H new ATOM 0 HA ALA A 2 4.866 3.774 -0.275 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.571 2.929 1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.933 2.390 1.748 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.057 1.262 0.955 1.00 0.00 H new ATOM 30 N GLU A 3 6.613 1.512 -1.901 1.00 0.00 N0 ATOM 31 CA GLU A 3 7.650 1.339 -2.912 1.00 0.00 C0 ATOM 32 C GLU A 3 7.232 1.954 -4.241 1.00 0.00 C0 ATOM 33 O GLU A 3 8.066 2.469 -4.986 1.00 0.00 O0 ATOM 34 CB GLU A 3 7.965 -0.147 -3.103 1.00 0.00 C0 ATOM 35 CG GLU A 3 8.642 -0.804 -1.908 1.00 0.00 C0 ATOM 36 CD GLU A 3 9.993 -0.217 -1.606 1.00 0.00 C0 ATOM 37 OE1 GLU A 3 10.764 -0.047 -2.519 1.00 0.00 O0 ATOM 38 OE2 GLU A 3 10.253 0.062 -0.459 1.00 0.00 O1- ATOM 0 H GLU A 3 6.130 0.652 -1.641 1.00 0.00 H new ATOM 0 HA GLU A 3 8.545 1.854 -2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 3 7.038 -0.678 -3.317 1.00 0.00 H new ATOM 0 HB3 GLU A 3 8.607 -0.261 -3.977 1.00 0.00 H new ATOM 0 HG2 GLU A 3 8.002 -0.700 -1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 3 8.750 -1.872 -2.099 1.00 0.00 H new ATOM 45 N TYR A 4 5.938 1.897 -4.532 1.00 0.00 N0 ATOM 46 CA TYR A 4 5.393 2.533 -5.726 1.00 0.00 C0 ATOM 47 C TYR A 4 5.492 4.050 -5.636 1.00 0.00 C0 ATOM 48 O TYR A 4 5.863 4.717 -6.602 1.00 0.00 O0 ATOM 49 CB TYR A 4 3.938 2.109 -5.942 1.00 0.00 C0 ATOM 50 CG TYR A 4 3.328 2.646 -7.218 1.00 0.00 C0 ATOM 51 CD1 TYR A 4 3.852 2.273 -8.447 1.00 0.00 C0 ATOM 52 CD2 TYR A 4 2.247 3.511 -7.158 1.00 0.00 C0 ATOM 53 CE1 TYR A 4 3.296 2.764 -9.613 1.00 0.00 C0 ATOM 54 CE2 TYR A 4 1.690 4.002 -8.324 1.00 0.00 C0 ATOM 55 CZ TYR A 4 2.211 3.631 -9.547 1.00 0.00 C0 ATOM 56 OH TYR A 4 1.656 4.120 -10.708 1.00 0.00 O0 ATOM 0 H TYR A 4 5.246 1.417 -3.957 1.00 0.00 H new ATOM 0 HA TYR A 4 5.986 2.205 -6.580 1.00 0.00 H new ATOM 0 HB2 TYR A 4 3.885 1.020 -5.955 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.341 2.447 -5.095 1.00 0.00 H new ATOM 0 HD1 TYR A 4 4.695 1.599 -8.493 1.00 0.00 H new ATOM 0 HD2 TYR A 4 1.840 3.801 -6.201 1.00 0.00 H new ATOM 0 HE1 TYR A 4 3.702 2.476 -10.571 1.00 0.00 H new ATOM 0 HE2 TYR A 4 0.847 4.676 -8.278 1.00 0.00 H new ATOM 0 HH TYR A 4 1.771 3.464 -11.427 1.00 0.00 H new ATOM 66 N GLY A 5 5.158 4.592 -4.469 1.00 0.00 N0 ATOM 67 CA GLY A 5 5.313 6.019 -4.213 1.00 0.00 C0 ATOM 68 C GLY A 5 6.759 6.458 -4.406 1.00 0.00 C0 ATOM 69 O GLY A 5 7.027 7.493 -5.016 1.00 0.00 O0 ATOM 0 H GLY A 5 4.778 4.063 -3.684 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.666 6.584 -4.884 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.994 6.246 -3.196 1.00 0.00 H new ATOM 73 N THR A 6 7.689 5.664 -3.884 1.00 0.00 N0 ATOM 74 CA THR A 6 9.110 5.949 -4.034 1.00 0.00 C0 ATOM 75 C THR A 6 9.529 5.912 -5.498 1.00 0.00 C0 ATOM 76 O THR A 6 10.303 6.754 -5.953 1.00 0.00 O0 ATOM 77 CB THR A 6 9.962 4.951 -3.227 1.00 0.00 C0 ATOM 78 OG1 THR A 6 9.615 5.034 -1.839 1.00 0.00 O0 ATOM 79 CG2 THR A 6 11.443 5.258 -3.394 1.00 0.00 C0 ATOM 0 H THR A 6 7.483 4.818 -3.353 1.00 0.00 H new ATOM 0 HA THR A 6 9.280 6.954 -3.647 1.00 0.00 H new ATOM 0 HB THR A 6 9.765 3.945 -3.598 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.730 4.638 -1.699 1.00 0.00 H new ATOM 0 HG21 THR A 6 12.030 4.543 -2.817 1.00 0.00 H new ATOM 0 HG22 THR A 6 11.714 5.184 -4.447 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.648 6.267 -3.037 1.00 0.00 H new ATOM 87 N LEU A 7 9.012 4.933 -6.231 1.00 0.00 N0 ATOM 88 CA LEU A 7 9.201 4.876 -7.676 1.00 0.00 C0 ATOM 89 C LEU A 7 8.732 6.161 -8.344 1.00 0.00 C0 ATOM 90 O LEU A 7 9.411 6.702 -9.217 1.00 0.00 O0 ATOM 91 CB LEU A 7 8.440 3.680 -8.263 1.00 0.00 C0 ATOM 92 CG LEU A 7 8.394 3.608 -9.794 1.00 0.00 C0 ATOM 93 CD1 LEU A 7 9.814 3.580 -10.344 1.00 0.00 C0 ATOM 94 CD2 LEU A 7 7.619 2.371 -10.222 1.00 0.00 C0 ATOM 0 H LEU A 7 8.458 4.167 -5.848 1.00 0.00 H new ATOM 0 HA LEU A 7 10.267 4.758 -7.869 1.00 0.00 H new ATOM 0 HB2 LEU A 7 8.895 2.763 -7.888 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.417 3.704 -7.888 1.00 0.00 H new ATOM 0 HG LEU A 7 7.887 4.487 -10.193 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.782 3.529 -11.432 1.00 0.00 H new ATOM 0 HD12 LEU A 7 10.340 4.484 -10.039 1.00 0.00 H new ATOM 0 HD13 LEU A 7 10.338 2.707 -9.955 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.587 2.320 -11.310 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.111 1.480 -9.832 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.603 2.425 -9.831 1.00 0.00 H new ATOM 106 N LEU A 8 7.568 6.648 -7.928 1.00 0.00 N0 ATOM 107 CA LEU A 8 6.993 7.858 -8.503 1.00 0.00 C0 ATOM 108 C LEU A 8 7.827 9.084 -8.155 1.00 0.00 C0 ATOM 109 O LEU A 8 7.901 10.038 -8.930 1.00 0.00 O0 ATOM 110 CB LEU A 8 5.556 8.051 -8.005 1.00 0.00 C0 ATOM 111 CG LEU A 8 4.535 7.019 -8.500 1.00 0.00 C0 ATOM 112 CD1 LEU A 8 3.172 7.320 -7.893 1.00 0.00 C0 ATOM 113 CD2 LEU A 8 4.476 7.052 -10.020 1.00 0.00 C0 ATOM 0 H LEU A 8 7.003 6.222 -7.193 1.00 0.00 H new ATOM 0 HA LEU A 8 6.988 7.743 -9.587 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.564 8.033 -6.915 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.217 9.043 -8.305 1.00 0.00 H new ATOM 0 HG LEU A 8 4.836 6.019 -8.189 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.447 6.586 -8.245 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.239 7.271 -6.806 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.853 8.318 -8.192 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.750 6.319 -10.372 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.177 8.046 -10.351 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.459 6.815 -10.428 1.00 0.00 H new ATOM 125 N GLN A 9 8.456 9.051 -6.985 1.00 0.00 N0 ATOM 126 CA GLN A 9 9.373 10.110 -6.579 1.00 0.00 C0 ATOM 127 C GLN A 9 10.570 10.192 -7.516 1.00 0.00 C0 ATOM 128 O GLN A 9 11.040 11.281 -7.846 1.00 0.00 O0 ATOM 129 CB GLN A 9 9.848 9.884 -5.141 1.00 0.00 C0 ATOM 130 CG GLN A 9 8.781 10.124 -4.087 1.00 0.00 C0 ATOM 131 CD GLN A 9 9.265 9.796 -2.688 1.00 0.00 C0 ATOM 132 OE1 GLN A 9 10.224 9.040 -2.509 1.00 0.00 O0 ATOM 133 NE2 GLN A 9 8.603 10.362 -1.685 1.00 0.00 N0 ATOM 0 H GLN A 9 8.348 8.302 -6.301 1.00 0.00 H new ATOM 0 HA GLN A 9 8.833 11.056 -6.631 1.00 0.00 H new ATOM 0 HB2 GLN A 9 10.212 8.861 -5.047 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.694 10.542 -4.942 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.466 11.167 -4.124 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.905 9.518 -4.317 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.816 10.981 -1.878 1.00 0.00 H new ATOM 0 HE22 GLN A 9 8.882 10.178 -0.721 1.00 0.00 H new ATOM 142 N ASP A 10 11.062 9.034 -7.943 1.00 0.00 N0 ATOM 143 CA ASP A 10 12.139 8.973 -8.924 1.00 0.00 C0 ATOM 144 C ASP A 10 11.625 9.273 -10.326 1.00 0.00 C0 ATOM 145 O ASP A 10 12.317 9.897 -11.130 1.00 0.00 O0 ATOM 146 CB ASP A 10 12.806 7.595 -8.902 1.00 0.00 C0 ATOM 147 CG ASP A 10 13.590 7.336 -7.622 1.00 0.00 C0 ATOM 148 OD1 ASP A 10 13.913 8.282 -6.946 1.00 0.00 O0 ATOM 149 OD2 ASP A 10 13.858 6.194 -7.335 1.00 0.00 O1- ATOM 0 H ASP A 10 10.731 8.123 -7.624 1.00 0.00 H new ATOM 0 HA ASP A 10 12.874 9.732 -8.656 1.00 0.00 H new ATOM 0 HB2 ASP A 10 12.042 6.826 -9.016 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.477 7.508 -9.757 1.00 0.00 H new ATOM 154 N LEU A 11 10.408 8.824 -10.613 1.00 0.00 N0 ATOM 155 CA LEU A 11 9.822 8.994 -11.937 1.00 0.00 C0 ATOM 156 C LEU A 11 9.505 10.457 -12.216 1.00 0.00 C0 ATOM 157 O LEU A 11 10.000 11.035 -13.184 1.00 0.00 O0 ATOM 158 CB LEU A 11 8.545 8.154 -12.063 1.00 0.00 C0 ATOM 159 CG LEU A 11 7.752 8.339 -13.363 1.00 0.00 C0 ATOM 160 CD1 LEU A 11 8.615 7.927 -14.548 1.00 0.00 C0 ATOM 161 CD2 LEU A 11 6.476 7.513 -13.303 1.00 0.00 C0 ATOM 0 H LEU A 11 9.808 8.339 -9.946 1.00 0.00 H new ATOM 0 HA LEU A 11 10.552 8.655 -12.672 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.814 7.102 -11.970 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.892 8.392 -11.224 1.00 0.00 H new ATOM 0 HG LEU A 11 7.477 9.387 -13.485 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.051 8.058 -15.472 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.511 8.547 -14.578 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.901 6.880 -14.443 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.913 7.645 -14.227 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.730 6.460 -13.180 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.870 7.841 -12.459 1.00 0.00 H new ATOM 173 N THR A 12 8.677 11.051 -11.364 1.00 0.00 N0 ATOM 174 CA THR A 12 8.043 12.327 -11.674 1.00 0.00 C0 ATOM 175 C THR A 12 9.048 13.470 -11.613 1.00 0.00 C0 ATOM 176 O THR A 12 8.796 14.559 -12.128 1.00 0.00 O0 ATOM 177 CB THR A 12 6.875 12.613 -10.713 1.00 0.00 C0 ATOM 178 OG1 THR A 12 7.356 12.631 -9.363 1.00 0.00 O0 ATOM 179 CG2 THR A 12 5.798 11.548 -10.849 1.00 0.00 C0 ATOM 0 H THR A 12 8.429 10.668 -10.452 1.00 0.00 H new ATOM 0 HA THR A 12 7.654 12.256 -12.690 1.00 0.00 H new ATOM 0 HB THR A 12 6.446 13.583 -10.966 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.363 11.718 -9.006 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.981 11.767 -10.162 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.420 11.541 -11.871 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.220 10.571 -10.611 1.00 0.00 H new ATOM 187 N ASN A 13 10.189 13.216 -10.980 1.00 0.00 N0 ATOM 188 CA ASN A 13 11.238 14.221 -10.859 1.00 0.00 C0 ATOM 189 C ASN A 13 12.313 14.025 -11.919 1.00 0.00 C0 ATOM 190 O ASN A 13 13.351 14.686 -11.894 1.00 0.00 O0 ATOM 191 CB ASN A 13 11.847 14.192 -9.469 1.00 0.00 C0 ATOM 192 CG ASN A 13 10.929 14.761 -8.423 1.00 0.00 C0 ATOM 193 OD1 ASN A 13 10.548 15.936 -8.488 1.00 0.00 O0 ATOM 194 ND2 ASN A 13 10.565 13.952 -7.461 1.00 0.00 N0 ATOM 0 H ASN A 13 10.410 12.322 -10.543 1.00 0.00 H new ATOM 0 HA ASN A 13 10.785 15.199 -11.019 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.097 13.164 -9.207 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.780 14.755 -9.473 1.00 0.00 H new ATOM 0 HD21 ASN A 13 9.942 14.283 -6.724 1.00 0.00 H new ATOM 0 HD22 ASN A 13 10.904 12.990 -7.448 1.00 0.00 H new ATOM 201 N ASN A 14 12.060 13.112 -12.850 1.00 0.00 N0 ATOM 202 CA ASN A 14 12.977 12.871 -13.958 1.00 0.00 C0 ATOM 203 C ASN A 14 12.226 12.744 -15.277 1.00 0.00 C0 ATOM 204 O ASN A 14 12.713 12.124 -16.222 1.00 0.00 O0 ATOM 205 CB ASN A 14 13.814 11.632 -13.698 1.00 0.00 C0 ATOM 206 CG ASN A 14 14.865 11.855 -12.646 1.00 0.00 C0 ATOM 207 OD1 ASN A 14 15.896 12.485 -12.906 1.00 0.00 O0 ATOM 208 ND2 ASN A 14 14.623 11.350 -11.463 1.00 0.00 N0 ATOM 0 H ASN A 14 11.226 12.525 -12.859 1.00 0.00 H new ATOM 0 HA ASN A 14 13.644 13.730 -14.034 1.00 0.00 H new ATOM 0 HB2 ASN A 14 13.162 10.816 -13.387 1.00 0.00 H new ATOM 0 HB3 ASN A 14 14.294 11.321 -14.626 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.300 11.469 -10.709 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.758 10.837 -11.295 1.00 0.00 H new ATOM 215 N ILE A 15 11.038 13.335 -15.336 1.00 0.00 N0 ATOM 216 CA ILE A 15 10.253 13.357 -16.564 1.00 0.00 C0 ATOM 217 C ILE A 15 9.626 14.727 -16.793 1.00 0.00 C0 ATOM 218 O ILE A 15 9.641 15.582 -15.907 1.00 0.00 O0 ATOM 219 CB ILE A 15 9.148 12.286 -16.530 1.00 0.00 C0 ATOM 220 CG1 ILE A 15 8.168 12.565 -15.388 1.00 0.00 C0 ATOM 221 CG2 ILE A 15 9.757 10.899 -16.387 1.00 0.00 C0 ATOM 222 CD1 ILE A 15 6.961 11.655 -15.382 1.00 0.00 C0 ATOM 0 H ILE A 15 10.597 13.806 -14.546 1.00 0.00 H new ATOM 0 HA ILE A 15 10.934 13.140 -17.387 1.00 0.00 H new ATOM 0 HB ILE A 15 8.599 12.324 -17.471 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.693 12.462 -14.438 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.831 13.599 -15.456 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.962 10.153 -16.365 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.416 10.702 -17.233 1.00 0.00 H new ATOM 0 HG23 ILE A 15 10.330 10.847 -15.461 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.314 11.914 -14.544 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.411 11.774 -16.316 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.286 10.620 -15.282 1.00 0.00 H new ATOM 234 N THR A 16 9.075 14.928 -17.984 1.00 0.00 N0 ATOM 235 CA THR A 16 8.445 16.197 -18.333 1.00 0.00 C0 ATOM 236 C THR A 16 6.994 16.237 -17.871 1.00 0.00 C0 ATOM 237 O THR A 16 6.441 15.225 -17.440 1.00 0.00 O0 ATOM 238 CB THR A 16 8.512 16.450 -19.850 1.00 0.00 C0 ATOM 239 OG1 THR A 16 7.737 15.461 -20.538 1.00 0.00 O0 ATOM 240 CG2 THR A 16 9.952 16.391 -20.337 1.00 0.00 C0 ATOM 0 H THR A 16 9.051 14.228 -18.726 1.00 0.00 H new ATOM 0 HA THR A 16 8.998 16.984 -17.820 1.00 0.00 H new ATOM 0 HB THR A 16 8.110 17.442 -20.055 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.210 14.603 -20.519 1.00 0.00 H new ATOM 0 HG21 THR A 16 9.980 16.572 -21.411 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.541 17.152 -19.825 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.368 15.406 -20.124 1.00 0.00 H new ATOM 248 N LEU A 17 6.381 17.412 -17.964 1.00 0.00 N0 ATOM 249 CA LEU A 17 4.992 17.586 -17.558 1.00 0.00 C0 ATOM 250 C LEU A 17 4.054 16.769 -18.436 1.00 0.00 C0 ATOM 251 O LEU A 17 3.042 16.249 -17.966 1.00 0.00 O0 ATOM 252 CB LEU A 17 4.602 19.068 -17.621 1.00 0.00 C0 ATOM 253 CG LEU A 17 5.275 19.978 -16.585 1.00 0.00 C0 ATOM 254 CD1 LEU A 17 4.912 21.429 -16.871 1.00 0.00 C0 ATOM 255 CD2 LEU A 17 4.833 19.569 -15.188 1.00 0.00 C0 ATOM 0 H LEU A 17 6.825 18.259 -18.318 1.00 0.00 H new ATOM 0 HA LEU A 17 4.897 17.231 -16.532 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.838 19.445 -18.616 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.522 19.146 -17.499 1.00 0.00 H new ATOM 0 HG LEU A 17 6.358 19.876 -16.647 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.390 22.076 -16.135 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.255 21.700 -17.869 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.830 21.552 -16.814 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.311 20.215 -14.451 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.750 19.664 -15.106 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.121 18.534 -15.004 1.00 0.00 H new ATOM 267 N GLU A 18 4.395 16.662 -19.717 1.00 0.00 N0 ATOM 268 CA GLU A 18 3.622 15.851 -20.650 1.00 0.00 C0 ATOM 269 C GLU A 18 3.723 14.370 -20.308 1.00 0.00 C0 ATOM 270 O GLU A 18 2.735 13.638 -20.378 1.00 0.00 O0 ATOM 271 CB GLU A 18 4.100 16.088 -22.084 1.00 0.00 C0 ATOM 272 CG GLU A 18 3.349 15.285 -23.138 1.00 0.00 C0 ATOM 273 CD GLU A 18 1.894 15.654 -23.226 1.00 0.00 C0 ATOM 274 OE1 GLU A 18 1.564 16.773 -22.916 1.00 0.00 O0 ATOM 275 OE2 GLU A 18 1.111 14.814 -23.604 1.00 0.00 O1- ATOM 0 H GLU A 18 5.202 17.127 -20.132 1.00 0.00 H new ATOM 0 HA GLU A 18 2.577 16.151 -20.566 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.003 17.149 -22.316 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.160 15.844 -22.146 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.818 15.441 -24.109 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.436 14.223 -22.909 1.00 0.00 H new ATOM 282 N ASP A 19 4.922 13.934 -19.940 1.00 0.00 N0 ATOM 283 CA ASP A 19 5.137 12.560 -19.501 1.00 0.00 C0 ATOM 284 C ASP A 19 4.285 12.232 -18.282 1.00 0.00 C0 ATOM 285 O ASP A 19 3.742 11.134 -18.169 1.00 0.00 O0 ATOM 286 CB ASP A 19 6.614 12.324 -19.177 1.00 0.00 C0 ATOM 287 CG ASP A 19 7.499 12.321 -20.416 1.00 0.00 C0 ATOM 288 OD1 ASP A 19 7.075 11.805 -21.424 1.00 0.00 O0 ATOM 289 OD2 ASP A 19 8.589 12.836 -20.344 1.00 0.00 O1- ATOM 0 H ASP A 19 5.762 14.513 -19.937 1.00 0.00 H new ATOM 0 HA ASP A 19 4.840 11.902 -20.318 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.959 13.099 -18.492 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.719 11.371 -18.659 1.00 0.00 H new ATOM 294 N LEU A 20 4.173 13.191 -17.369 1.00 0.00 N0 ATOM 295 CA LEU A 20 3.326 13.035 -16.193 1.00 0.00 C0 ATOM 296 C LEU A 20 1.860 12.897 -16.583 1.00 0.00 C0 ATOM 297 O LEU A 20 1.132 12.078 -16.022 1.00 0.00 O0 ATOM 298 CB LEU A 20 3.500 14.233 -15.250 1.00 0.00 C0 ATOM 299 CG LEU A 20 2.681 14.185 -13.955 1.00 0.00 C0 ATOM 300 CD1 LEU A 20 3.053 12.937 -13.165 1.00 0.00 C0 ATOM 301 CD2 LEU A 20 2.942 15.443 -13.142 1.00 0.00 C0 ATOM 0 H LEU A 20 4.659 14.086 -17.422 1.00 0.00 H new ATOM 0 HA LEU A 20 3.632 12.123 -15.680 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.555 14.315 -14.988 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.235 15.140 -15.793 1.00 0.00 H new ATOM 0 HG LEU A 20 1.617 14.141 -14.189 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.471 12.902 -12.244 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.839 12.051 -13.763 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.115 12.963 -12.922 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.360 15.409 -12.221 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.003 15.505 -12.898 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.651 16.318 -13.723 1.00 0.00 H new ATOM 313 N GLU A 21 1.432 13.703 -17.549 1.00 0.00 N0 ATOM 314 CA GLU A 21 0.064 13.641 -18.048 1.00 0.00 C0 ATOM 315 C GLU A 21 -0.212 12.311 -18.737 1.00 0.00 C0 ATOM 316 O GLU A 21 -1.317 11.777 -18.655 1.00 0.00 O0 ATOM 317 CB GLU A 21 -0.203 14.794 -19.018 1.00 0.00 C0 ATOM 318 CG GLU A 21 -0.281 16.165 -18.360 1.00 0.00 C0 ATOM 319 CD GLU A 21 -1.416 16.280 -17.382 1.00 0.00 C0 ATOM 320 OE1 GLU A 21 -2.493 15.831 -17.695 1.00 0.00 O0 ATOM 321 OE2 GLU A 21 -1.207 16.817 -16.320 1.00 0.00 O1- ATOM 0 H GLU A 21 2.014 14.408 -18.002 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.606 13.730 -17.193 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.586 14.810 -19.770 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.139 14.602 -19.542 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.658 16.369 -17.845 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.394 16.927 -19.131 1.00 0.00 H new ATOM 328 N GLN A 22 0.800 11.782 -19.415 1.00 0.00 N0 ATOM 329 CA GLN A 22 0.695 10.472 -20.050 1.00 0.00 C0 ATOM 330 C GLN A 22 0.655 9.358 -19.012 1.00 0.00 C0 ATOM 331 O GLN A 22 -0.061 8.371 -19.176 1.00 0.00 O0 ATOM 332 CB GLN A 22 1.864 10.249 -21.012 1.00 0.00 C0 ATOM 333 CG GLN A 22 1.841 11.143 -22.240 1.00 0.00 C0 ATOM 334 CD GLN A 22 0.613 10.915 -23.099 1.00 0.00 C0 ATOM 335 OE1 GLN A 22 0.146 9.782 -23.250 1.00 0.00 O0 ATOM 336 NE2 GLN A 22 0.081 11.991 -23.668 1.00 0.00 N0 ATOM 0 H GLN A 22 1.703 12.240 -19.540 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.238 10.448 -20.612 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.798 10.413 -20.475 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.861 9.208 -21.335 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.873 12.187 -21.927 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.736 10.961 -22.835 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.500 12.908 -23.516 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.747 11.900 -24.257 1.00 0.00 H new ATOM 345 N LEU A 23 1.426 9.524 -17.943 1.00 0.00 N0 ATOM 346 CA LEU A 23 1.377 8.606 -16.812 1.00 0.00 C0 ATOM 347 C LEU A 23 -0.029 8.524 -16.230 1.00 0.00 C0 ATOM 348 O LEU A 23 -0.581 7.437 -16.066 1.00 0.00 O0 ATOM 349 CB LEU A 23 2.363 9.049 -15.725 1.00 0.00 C0 ATOM 350 CG LEU A 23 2.345 8.223 -14.432 1.00 0.00 C0 ATOM 351 CD1 LEU A 23 2.827 6.809 -14.727 1.00 0.00 C0 ATOM 352 CD2 LEU A 23 3.223 8.894 -13.388 1.00 0.00 C0 ATOM 0 H LEU A 23 2.094 10.288 -17.836 1.00 0.00 H new ATOM 0 HA LEU A 23 1.658 7.616 -17.172 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.370 9.018 -16.140 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.154 10.089 -15.473 1.00 0.00 H new ATOM 0 HG LEU A 23 1.330 8.166 -14.040 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.815 6.221 -13.809 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.169 6.346 -15.463 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.843 6.846 -15.121 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.210 8.307 -12.470 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.245 8.961 -13.761 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.845 9.896 -13.184 1.00 0.00 H new ATOM 364 N LYS A 24 -0.603 9.681 -15.920 1.00 0.00 N0 ATOM 365 CA LYS A 24 -1.944 9.744 -15.353 1.00 0.00 C0 ATOM 366 C LYS A 24 -2.978 9.185 -16.322 1.00 0.00 C0 ATOM 367 O LYS A 24 -3.893 8.465 -15.922 1.00 0.00 O0 ATOM 368 CB LYS A 24 -2.301 11.182 -14.976 1.00 0.00 C0 ATOM 369 CG LYS A 24 -1.525 11.732 -13.787 1.00 0.00 C0 ATOM 370 CD LYS A 24 -2.042 13.102 -13.375 1.00 0.00 C0 ATOM 371 CE LYS A 24 -1.717 14.155 -14.423 1.00 0.00 C0 ATOM 372 NZ LYS A 24 -2.168 15.512 -14.009 1.00 0.00 N1+ ATOM 0 H LYS A 24 -0.159 10.590 -16.052 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.953 9.130 -14.452 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.125 11.825 -15.838 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.367 11.232 -14.753 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.606 11.043 -12.947 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.467 11.801 -14.041 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.121 13.056 -13.226 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.600 13.388 -12.420 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.642 14.169 -14.601 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.193 13.887 -15.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.927 16.199 -14.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.198 15.506 -13.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.695 15.780 -13.123 1.00 0.00 H new ATOM 386 N SER A 25 -2.827 9.522 -17.600 1.00 0.00 N0 ATOM 387 CA SER A 25 -3.745 9.050 -18.629 1.00 0.00 C0 ATOM 388 C SER A 25 -3.760 7.528 -18.699 1.00 0.00 C0 ATOM 389 O SER A 25 -4.818 6.914 -18.832 1.00 0.00 O0 ATOM 390 CB SER A 25 -3.354 9.623 -19.978 1.00 0.00 C0 ATOM 391 OG SER A 25 -3.517 11.014 -19.998 1.00 0.00 O0 ATOM 0 H SER A 25 -2.077 10.120 -17.946 1.00 0.00 H new ATOM 0 HA SER A 25 -4.747 9.389 -18.367 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.316 9.372 -20.197 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.964 9.170 -20.760 1.00 0.00 H new ATOM 0 HG SER A 25 -2.768 11.438 -19.530 1.00 0.00 H new ATOM 397 N ALA A 26 -2.579 6.926 -18.609 1.00 0.00 N0 ATOM 398 CA ALA A 26 -2.460 5.472 -18.595 1.00 0.00 C0 ATOM 399 C ALA A 26 -3.149 4.875 -17.374 1.00 0.00 C0 ATOM 400 O ALA A 26 -3.763 3.811 -17.455 1.00 0.00 O0 ATOM 401 CB ALA A 26 -0.996 5.060 -18.630 1.00 0.00 C0 ATOM 0 H ALA A 26 -1.690 7.422 -18.545 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.956 5.085 -19.485 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.924 3.972 -18.619 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.531 5.445 -19.537 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.483 5.467 -17.759 1.00 0.00 H new ATOM 407 N CYS A 27 -3.043 5.566 -16.244 1.00 0.00 N0 ATOM 408 CA CYS A 27 -3.686 5.124 -15.013 1.00 0.00 C0 ATOM 409 C CYS A 27 -5.201 5.253 -15.106 1.00 0.00 C0 ATOM 410 O CYS A 27 -5.938 4.413 -14.590 1.00 0.00 O0 ATOM 411 CB CYS A 27 -3.183 5.938 -13.821 1.00 0.00 C0 ATOM 412 SG CYS A 27 -1.454 5.628 -13.393 1.00 0.00 S0 ATOM 0 H CYS A 27 -2.517 6.435 -16.156 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.430 4.074 -14.869 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.307 6.998 -14.040 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.806 5.717 -12.954 1.00 0.00 H new ATOM 0 HG CYS A 27 -1.156 6.267 -12.301 1.00 0.00 H new ATOM 418 N LYS A 28 -5.661 6.309 -15.766 1.00 0.00 N0 ATOM 419 CA LYS A 28 -7.090 6.569 -15.899 1.00 0.00 C0 ATOM 420 C LYS A 28 -7.782 5.455 -16.674 1.00 0.00 C0 ATOM 421 O LYS A 28 -8.992 5.264 -16.555 1.00 0.00 O0 ATOM 422 CB LYS A 28 -7.328 7.915 -16.585 1.00 0.00 C0 ATOM 423 CG LYS A 28 -7.033 9.127 -15.712 1.00 0.00 C0 ATOM 424 CD LYS A 28 -7.247 10.425 -16.478 1.00 0.00 C0 ATOM 425 CE LYS A 28 -6.970 11.637 -15.602 1.00 0.00 C0 ATOM 426 NZ LYS A 28 -7.139 12.914 -16.348 1.00 0.00 N1+ ATOM 0 H LYS A 28 -5.064 7.001 -16.219 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.518 6.603 -14.897 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.708 7.968 -17.480 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.366 7.963 -16.913 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.677 9.110 -14.833 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.005 9.079 -15.354 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.593 10.447 -17.350 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.272 10.467 -16.847 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.643 11.626 -14.745 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.954 11.577 -15.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.941 13.715 -15.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.479 12.937 -17.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.115 12.984 -16.700 1.00 0.00 H new ATOM 440 N GLU A 29 -7.008 4.723 -17.466 1.00 0.00 N0 ATOM 441 CA GLU A 29 -7.541 3.611 -18.245 1.00 0.00 C0 ATOM 442 C GLU A 29 -8.063 2.505 -17.337 1.00 0.00 C0 ATOM 443 O GLU A 29 -8.986 1.775 -17.700 1.00 0.00 O0 ATOM 444 CB GLU A 29 -6.468 3.052 -19.181 1.00 0.00 C0 ATOM 445 CG GLU A 29 -6.073 3.988 -20.315 1.00 0.00 C0 ATOM 446 CD GLU A 29 -5.019 3.406 -21.214 1.00 0.00 C0 ATOM 447 OE1 GLU A 29 -4.517 2.352 -20.905 1.00 0.00 O0 ATOM 448 OE2 GLU A 29 -4.714 4.016 -22.211 1.00 0.00 O1- ATOM 0 H GLU A 29 -6.007 4.879 -17.586 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.372 3.989 -18.840 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.580 2.815 -18.595 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.827 2.115 -19.608 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.957 4.227 -20.907 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.708 4.925 -19.895 1.00 0.00 H new ATOM 455 N ASP A 30 -7.468 2.385 -16.155 1.00 0.00 N0 ATOM 456 CA ASP A 30 -7.856 1.351 -15.203 1.00 0.00 C0 ATOM 457 C ASP A 30 -8.700 1.930 -14.074 1.00 0.00 C0 ATOM 458 O ASP A 30 -9.605 1.272 -13.563 1.00 0.00 O0 ATOM 459 CB ASP A 30 -6.617 0.664 -14.622 1.00 0.00 C0 ATOM 460 CG ASP A 30 -5.806 -0.082 -15.673 1.00 0.00 C0 ATOM 461 OD1 ASP A 30 -6.397 -0.764 -16.477 1.00 0.00 O0 ATOM 462 OD2 ASP A 30 -4.604 0.037 -15.661 1.00 0.00 O1- ATOM 0 H ASP A 30 -6.714 2.992 -15.833 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.455 0.615 -15.740 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.984 1.412 -14.145 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.926 -0.035 -13.845 1.00 0.00 H new ATOM 467 N ILE A 31 -8.397 3.166 -13.690 1.00 0.00 N0 ATOM 468 CA ILE A 31 -9.146 3.847 -12.642 1.00 0.00 C0 ATOM 469 C ILE A 31 -10.581 4.114 -13.076 1.00 0.00 C0 ATOM 470 O ILE A 31 -10.826 4.611 -14.176 1.00 0.00 O0 ATOM 471 CB ILE A 31 -8.469 5.176 -12.258 1.00 0.00 C0 ATOM 472 CG1 ILE A 31 -7.106 4.914 -11.611 1.00 0.00 C0 ATOM 473 CG2 ILE A 31 -9.361 5.976 -11.321 1.00 0.00 C0 ATOM 474 CD1 ILE A 31 -6.275 6.161 -11.413 1.00 0.00 C0 ATOM 0 H ILE A 31 -7.637 3.716 -14.090 1.00 0.00 H new ATOM 0 HA ILE A 31 -9.159 3.190 -11.773 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.313 5.760 -13.165 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -7.259 4.434 -10.645 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.549 4.212 -12.231 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.867 6.912 -11.060 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -10.308 6.191 -11.816 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -9.548 5.399 -10.415 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.325 5.895 -10.950 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.089 6.632 -12.378 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.811 6.857 -10.767 1.00 0.00 H new ATOM 486 N PRO A 32 -11.530 3.782 -12.205 1.00 0.00 N0 ATOM 487 CA PRO A 32 -12.942 3.992 -12.494 1.00 0.00 C0 ATOM 488 C PRO A 32 -13.202 5.417 -12.966 1.00 0.00 C0 ATOM 489 O PRO A 32 -12.659 6.373 -12.413 1.00 0.00 O0 ATOM 490 CB PRO A 32 -13.615 3.713 -11.147 1.00 0.00 C0 ATOM 491 CG PRO A 32 -12.736 2.695 -10.503 1.00 0.00 C0 ATOM 492 CD PRO A 32 -11.340 3.117 -10.876 1.00 0.00 C0 ATOM 0 HA PRO A 32 -13.317 3.356 -13.296 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -13.686 4.617 -10.543 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -14.630 3.337 -11.279 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -12.871 2.680 -9.422 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -12.958 1.691 -10.866 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -10.915 3.800 -10.140 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -10.666 2.263 -10.945 1.00 0.00 H new ATOM 500 N SER A 33 -14.034 5.552 -13.993 1.00 0.00 N0 ATOM 501 CA SER A 33 -14.255 6.843 -14.635 1.00 0.00 C0 ATOM 502 C SER A 33 -14.800 7.864 -13.645 1.00 0.00 C0 ATOM 503 O SER A 33 -14.551 9.063 -13.775 1.00 0.00 O0 ATOM 504 CB SER A 33 -15.216 6.689 -15.798 1.00 0.00 C0 ATOM 505 OG SER A 33 -16.498 6.344 -15.347 1.00 0.00 O0 ATOM 0 H SER A 33 -14.567 4.783 -14.399 1.00 0.00 H new ATOM 0 HA SER A 33 -13.295 7.204 -15.004 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.263 7.621 -16.361 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.848 5.922 -16.480 1.00 0.00 H new ATOM 0 HG SER A 33 -17.101 6.252 -16.114 1.00 0.00 H new ATOM 511 N GLU A 34 -15.544 7.383 -12.655 1.00 0.00 N0 ATOM 512 CA GLU A 34 -16.072 8.245 -11.605 1.00 0.00 C0 ATOM 513 C GLU A 34 -14.947 8.867 -10.786 1.00 0.00 C0 ATOM 514 O GLU A 34 -15.076 9.984 -10.285 1.00 0.00 O0 ATOM 515 CB GLU A 34 -17.007 7.455 -10.687 1.00 0.00 C0 ATOM 516 CG GLU A 34 -18.314 7.027 -11.339 1.00 0.00 C0 ATOM 517 CD GLU A 34 -19.184 6.209 -10.426 1.00 0.00 C0 ATOM 518 OE1 GLU A 34 -18.724 5.840 -9.373 1.00 0.00 O0 ATOM 519 OE2 GLU A 34 -20.310 5.953 -10.783 1.00 0.00 O1- ATOM 0 H GLU A 34 -15.795 6.399 -12.558 1.00 0.00 H new ATOM 0 HA GLU A 34 -16.633 9.048 -12.083 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -16.484 6.567 -10.333 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -17.234 8.062 -9.810 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -18.863 7.914 -11.657 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -18.094 6.449 -12.237 1.00 0.00 H new ATOM 526 N LYS A 35 -13.846 8.136 -10.652 1.00 0.00 N0 ATOM 527 CA LYS A 35 -12.697 8.614 -9.891 1.00 0.00 C0 ATOM 528 C LYS A 35 -11.713 9.357 -10.787 1.00 0.00 C0 ATOM 529 O LYS A 35 -10.931 10.181 -10.316 1.00 0.00 O0 ATOM 530 CB LYS A 35 -11.996 7.448 -9.192 1.00 0.00 C0 ATOM 531 CG LYS A 35 -12.844 6.741 -8.144 1.00 0.00 C0 ATOM 532 CD LYS A 35 -13.313 7.709 -7.067 1.00 0.00 C0 ATOM 533 CE LYS A 35 -14.121 6.994 -5.994 1.00 0.00 C0 ATOM 534 NZ LYS A 35 -14.657 7.940 -4.978 1.00 0.00 N1+ ATOM 0 H LYS A 35 -13.725 7.209 -11.061 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.063 9.311 -9.137 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.689 6.721 -9.944 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.087 7.818 -8.717 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.708 6.280 -8.623 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.266 5.938 -7.687 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.450 8.195 -6.612 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -13.919 8.494 -7.519 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.947 6.456 -6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.493 6.251 -5.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.201 7.413 -4.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.869 8.435 -4.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.277 8.634 -5.443 1.00 0.00 H new ATOM 548 N SER A 36 -11.758 9.058 -12.081 1.00 0.00 N0 ATOM 549 CA SER A 36 -10.881 9.707 -13.048 1.00 0.00 C0 ATOM 550 C SER A 36 -11.186 11.196 -13.156 1.00 0.00 C0 ATOM 551 O SER A 36 -10.343 11.983 -13.586 1.00 0.00 O0 ATOM 552 CB SER A 36 -11.027 9.052 -14.408 1.00 0.00 C0 ATOM 553 OG SER A 36 -12.240 9.410 -15.010 1.00 0.00 O0 ATOM 0 H SER A 36 -12.393 8.370 -12.484 1.00 0.00 H new ATOM 0 HA SER A 36 -9.854 9.593 -12.700 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.197 9.349 -15.049 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.976 7.968 -14.301 1.00 0.00 H new ATOM 0 HG SER A 36 -12.937 9.481 -14.325 1.00 0.00 H new ATOM 559 N GLU A 37 -12.396 11.577 -12.762 1.00 0.00 N0 ATOM 560 CA GLU A 37 -12.798 12.978 -12.765 1.00 0.00 C0 ATOM 561 C GLU A 37 -12.455 13.652 -11.443 1.00 0.00 C0 ATOM 562 O GLU A 37 -12.597 14.866 -11.298 1.00 0.00 O0 ATOM 563 CB GLU A 37 -14.299 13.104 -13.038 1.00 0.00 C0 ATOM 564 CG GLU A 37 -14.729 12.617 -14.415 1.00 0.00 C0 ATOM 565 CD GLU A 37 -16.207 12.764 -14.651 1.00 0.00 C0 ATOM 566 OE1 GLU A 37 -16.875 13.298 -13.798 1.00 0.00 O0 ATOM 567 OE2 GLU A 37 -16.668 12.342 -15.685 1.00 0.00 O1- ATOM 0 H GLU A 37 -13.117 10.933 -12.436 1.00 0.00 H new ATOM 0 HA GLU A 37 -12.247 13.480 -13.560 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -14.843 12.540 -12.280 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -14.590 14.149 -12.928 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -14.187 13.175 -15.178 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.450 11.569 -14.528 1.00 0.00 H new ATOM 574 N GLU A 38 -12.002 12.857 -10.480 1.00 0.00 N0 ATOM 575 CA GLU A 38 -11.669 13.369 -9.155 1.00 0.00 C0 ATOM 576 C GLU A 38 -10.169 13.589 -9.011 1.00 0.00 C0 ATOM 577 O GLU A 38 -9.699 14.072 -7.981 1.00 0.00 O0 ATOM 578 CB GLU A 38 -12.160 12.407 -8.072 1.00 0.00 C0 ATOM 579 CG GLU A 38 -13.674 12.247 -8.013 1.00 0.00 C0 ATOM 580 CD GLU A 38 -14.122 11.325 -6.912 1.00 0.00 C0 ATOM 581 OE1 GLU A 38 -13.282 10.823 -6.205 1.00 0.00 O0 ATOM 582 OE2 GLU A 38 -15.306 11.123 -6.780 1.00 0.00 O1- ATOM 0 H GLU A 38 -11.857 11.854 -10.592 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.170 14.329 -9.034 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.710 11.429 -8.240 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.806 12.758 -7.103 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.133 13.225 -7.870 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -14.032 11.864 -8.969 1.00 0.00 H new ATOM 589 N ILE A 39 -9.421 13.231 -10.049 1.00 0.00 N0 ATOM 590 CA ILE A 39 -7.969 13.368 -10.030 1.00 0.00 C0 ATOM 591 C ILE A 39 -7.551 14.822 -10.211 1.00 0.00 C0 ATOM 592 O ILE A 39 -7.607 15.361 -11.317 1.00 0.00 O0 ATOM 593 CB ILE A 39 -7.323 12.506 -11.130 1.00 0.00 C0 ATOM 594 CG1 ILE A 39 -7.642 11.026 -10.905 1.00 0.00 C0 ATOM 595 CG2 ILE A 39 -5.819 12.731 -11.166 1.00 0.00 C0 ATOM 596 CD1 ILE A 39 -7.270 10.138 -12.070 1.00 0.00 C0 ATOM 0 H ILE A 39 -9.796 12.844 -10.915 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.622 13.022 -9.056 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.738 12.804 -12.093 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.115 10.682 -10.015 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.708 10.920 -10.705 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.377 12.114 -11.949 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.613 13.781 -11.372 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.387 12.459 -10.203 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.526 9.105 -11.836 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.816 10.455 -12.958 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.199 10.213 -12.257 1.00 0.00 H new ATOM 608 N THR A 40 -7.132 15.451 -9.120 1.00 0.00 N0 ATOM 609 CA THR A 40 -6.667 16.834 -9.162 1.00 0.00 C0 ATOM 610 C THR A 40 -5.243 16.952 -8.635 1.00 0.00 C0 ATOM 611 O THR A 40 -4.556 17.941 -8.893 1.00 0.00 O0 ATOM 612 CB THR A 40 -7.597 17.756 -8.353 1.00 0.00 C0 ATOM 613 OG1 THR A 40 -7.597 17.350 -6.977 1.00 0.00 O0 ATOM 614 CG2 THR A 40 -9.016 17.692 -8.896 1.00 0.00 C0 ATOM 0 H THR A 40 -7.104 15.026 -8.193 1.00 0.00 H new ATOM 0 HA THR A 40 -6.681 17.148 -10.206 1.00 0.00 H new ATOM 0 HB THR A 40 -7.233 18.780 -8.438 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.188 17.938 -6.462 1.00 0.00 H new ATOM 0 HG21 THR A 40 -9.659 18.350 -8.312 1.00 0.00 H new ATOM 0 HG22 THR A 40 -9.021 18.011 -9.938 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.386 16.669 -8.828 1.00 0.00 H new ATOM 622 N THR A 41 -4.804 15.940 -7.896 1.00 0.00 N0 ATOM 623 CA THR A 41 -3.454 15.921 -7.345 1.00 0.00 C0 ATOM 624 C THR A 41 -2.706 14.662 -7.762 1.00 0.00 C0 ATOM 625 O THR A 41 -3.274 13.772 -8.398 1.00 0.00 O0 ATOM 626 CB THR A 41 -3.481 16.023 -5.809 1.00 0.00 C0 ATOM 627 OG1 THR A 41 -4.037 14.822 -5.258 1.00 0.00 O0 ATOM 628 CG2 THR A 41 -4.317 17.214 -5.368 1.00 0.00 C0 ATOM 0 H THR A 41 -5.365 15.120 -7.664 1.00 0.00 H new ATOM 0 HA THR A 41 -2.930 16.788 -7.746 1.00 0.00 H new ATOM 0 HB THR A 41 -2.460 16.157 -5.450 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.494 14.529 -4.497 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.325 17.270 -4.279 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.889 18.130 -5.776 1.00 0.00 H new ATOM 0 HG23 THR A 41 -5.338 17.097 -5.732 1.00 0.00 H new ATOM 636 N GLY A 42 -1.430 14.591 -7.401 1.00 0.00 N0 ATOM 637 CA GLY A 42 -0.644 13.378 -7.596 1.00 0.00 C0 ATOM 638 C GLY A 42 -1.089 12.275 -6.644 1.00 0.00 C0 ATOM 639 O GLY A 42 -1.091 11.096 -7.002 1.00 0.00 O0 ATOM 0 H GLY A 42 -0.917 15.360 -6.971 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.747 13.036 -8.626 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.412 13.596 -7.436 1.00 0.00 H new ATOM 643 N SER A 43 -1.466 12.664 -5.431 1.00 0.00 N0 ATOM 644 CA SER A 43 -1.910 11.708 -4.423 1.00 0.00 C0 ATOM 645 C SER A 43 -3.280 11.140 -4.767 1.00 0.00 C0 ATOM 646 O SER A 43 -3.656 10.069 -4.292 1.00 0.00 O0 ATOM 647 CB SER A 43 -1.955 12.370 -3.060 1.00 0.00 C0 ATOM 648 OG SER A 43 -2.949 13.355 -3.013 1.00 0.00 O0 ATOM 0 H SER A 43 -1.473 13.636 -5.122 1.00 0.00 H new ATOM 0 HA SER A 43 -1.195 10.886 -4.402 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.146 11.619 -2.293 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.986 12.815 -2.836 1.00 0.00 H new ATOM 0 HG SER A 43 -2.960 13.767 -2.124 1.00 0.00 H new ATOM 654 N ALA A 44 -4.024 11.864 -5.597 1.00 0.00 N0 ATOM 655 CA ALA A 44 -5.362 11.442 -5.994 1.00 0.00 C0 ATOM 656 C ALA A 44 -5.323 10.107 -6.727 1.00 0.00 C0 ATOM 657 O ALA A 44 -5.755 9.084 -6.196 1.00 0.00 O0 ATOM 658 CB ALA A 44 -6.016 12.505 -6.865 1.00 0.00 C0 ATOM 0 H ALA A 44 -3.722 12.747 -6.008 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.957 11.313 -5.090 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.014 12.176 -7.153 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.089 13.438 -6.307 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.414 12.664 -7.760 1.00 0.00 H new ATOM 664 N TRP A 45 -4.804 10.123 -7.950 1.00 0.00 N0 ATOM 665 CA TRP A 45 -4.771 8.929 -8.784 1.00 0.00 C0 ATOM 666 C TRP A 45 -3.881 7.854 -8.174 1.00 0.00 C0 ATOM 667 O TRP A 45 -4.070 6.664 -8.422 1.00 0.00 O0 ATOM 668 CB TRP A 45 -4.272 9.273 -10.189 1.00 0.00 C0 ATOM 669 CG TRP A 45 -2.853 9.757 -10.218 1.00 0.00 C0 ATOM 670 CD1 TRP A 45 -2.431 11.048 -10.118 1.00 0.00 C0 ATOM 671 CD2 TRP A 45 -1.657 8.953 -10.356 1.00 0.00 C0 ATOM 672 NE1 TRP A 45 -1.061 11.105 -10.185 1.00 0.00 N0 ATOM 673 CE2 TRP A 45 -0.571 9.832 -10.329 1.00 0.00 C0 ATOM 674 CE3 TRP A 45 -1.424 7.580 -10.498 1.00 0.00 C0 ATOM 675 CZ2 TRP A 45 0.737 9.385 -10.441 1.00 0.00 C0 ATOM 676 CZ3 TRP A 45 -0.113 7.132 -10.608 1.00 0.00 C0 ATOM 677 CH2 TRP A 45 0.939 8.012 -10.580 1.00 0.00 C0 ATOM 0 H TRP A 45 -4.400 10.952 -8.386 1.00 0.00 H new ATOM 0 HA TRP A 45 -5.788 8.541 -8.847 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -4.360 8.391 -10.823 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -4.918 10.039 -10.618 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -3.080 11.903 -10.003 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -0.499 11.955 -10.136 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -2.248 6.882 -10.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 1.568 10.074 -10.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 0.080 6.075 -10.717 1.00 0.00 H new ATOM 0 HH2 TRP A 45 1.947 7.633 -10.668 1.00 0.00 H new ATOM 688 N PHE A 46 -2.910 8.282 -7.374 1.00 0.00 N0 ATOM 689 CA PHE A 46 -2.106 7.357 -6.583 1.00 0.00 C0 ATOM 690 C PHE A 46 -2.979 6.531 -5.647 1.00 0.00 C0 ATOM 691 O PHE A 46 -2.892 5.304 -5.622 1.00 0.00 O0 ATOM 692 CB PHE A 46 -1.058 8.121 -5.771 1.00 0.00 C0 ATOM 693 CG PHE A 46 -0.296 7.261 -4.804 1.00 0.00 C0 ATOM 694 CD1 PHE A 46 0.797 6.519 -5.225 1.00 0.00 C0 ATOM 695 CD2 PHE A 46 -0.671 7.191 -3.470 1.00 0.00 C0 ATOM 696 CE1 PHE A 46 1.499 5.727 -4.335 1.00 0.00 C0 ATOM 697 CE2 PHE A 46 0.028 6.401 -2.579 1.00 0.00 C0 ATOM 698 CZ PHE A 46 1.115 5.667 -3.013 1.00 0.00 C0 ATOM 0 H PHE A 46 -2.661 9.264 -7.256 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.603 6.680 -7.273 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.354 8.593 -6.456 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.551 8.922 -5.220 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.104 6.560 -6.260 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.520 7.762 -3.124 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.349 5.155 -4.676 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.275 6.357 -1.543 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.662 5.048 -2.318 1.00 0.00 H new ATOM 708 N SER A 47 -3.820 7.212 -4.875 1.00 0.00 N0 ATOM 709 CA SER A 47 -4.676 6.546 -3.900 1.00 0.00 C0 ATOM 710 C SER A 47 -5.800 5.782 -4.587 1.00 0.00 C0 ATOM 711 O SER A 47 -6.359 4.841 -4.023 1.00 0.00 O0 ATOM 712 CB SER A 47 -5.257 7.562 -2.937 1.00 0.00 C0 ATOM 713 OG SER A 47 -6.180 8.396 -3.583 1.00 0.00 O0 ATOM 0 H SER A 47 -3.927 8.226 -4.906 1.00 0.00 H new ATOM 0 HA SER A 47 -4.066 5.832 -3.347 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.744 7.047 -2.109 1.00 0.00 H new ATOM 0 HB3 SER A 47 -4.455 8.164 -2.510 1.00 0.00 H new ATOM 0 HG SER A 47 -5.972 8.435 -4.540 1.00 0.00 H new ATOM 719 N PHE A 48 -6.129 6.191 -5.807 1.00 0.00 N0 ATOM 720 CA PHE A 48 -7.165 5.525 -6.587 1.00 0.00 C0 ATOM 721 C PHE A 48 -6.689 4.167 -7.087 1.00 0.00 C0 ATOM 722 O PHE A 48 -7.458 3.207 -7.131 1.00 0.00 O0 ATOM 723 CB PHE A 48 -7.582 6.394 -7.775 1.00 0.00 C0 ATOM 724 CG PHE A 48 -8.355 7.622 -7.384 1.00 0.00 C0 ATOM 725 CD1 PHE A 48 -9.022 7.682 -6.170 1.00 0.00 C0 ATOM 726 CD2 PHE A 48 -8.416 8.718 -8.231 1.00 0.00 C0 ATOM 727 CE1 PHE A 48 -9.734 8.812 -5.810 1.00 0.00 C0 ATOM 728 CE2 PHE A 48 -9.124 9.849 -7.873 1.00 0.00 C0 ATOM 729 CZ PHE A 48 -9.784 9.895 -6.662 1.00 0.00 C0 ATOM 0 H PHE A 48 -5.692 6.983 -6.278 1.00 0.00 H new ATOM 0 HA PHE A 48 -8.025 5.372 -5.934 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.690 6.696 -8.323 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.187 5.796 -8.456 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -8.985 6.837 -5.498 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.904 8.687 -9.182 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -10.250 8.846 -4.862 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -9.161 10.697 -8.541 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.339 10.778 -6.382 1.00 0.00 H new ATOM 739 N LEU A 49 -5.418 4.093 -7.465 1.00 0.00 N0 ATOM 740 CA LEU A 49 -4.796 2.822 -7.821 1.00 0.00 C0 ATOM 741 C LEU A 49 -4.793 1.861 -6.640 1.00 0.00 C0 ATOM 742 O LEU A 49 -5.060 0.670 -6.795 1.00 0.00 O0 ATOM 743 CB LEU A 49 -3.360 3.053 -8.306 1.00 0.00 C0 ATOM 744 CG LEU A 49 -3.219 3.771 -9.653 1.00 0.00 C0 ATOM 745 CD1 LEU A 49 -1.748 4.052 -9.930 1.00 0.00 C0 ATOM 746 CD2 LEU A 49 -3.828 2.913 -10.753 1.00 0.00 C0 ATOM 0 H LEU A 49 -4.797 4.899 -7.533 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.381 2.376 -8.625 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.830 3.632 -7.550 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.860 2.087 -8.376 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.751 4.722 -9.624 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.649 4.562 -10.888 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.343 4.683 -9.139 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.198 3.112 -9.962 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.728 3.424 -11.711 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.309 1.955 -10.797 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.884 2.745 -10.541 1.00 0.00 H new ATOM 758 N GLU A 50 -4.489 2.387 -5.457 1.00 0.00 N0 ATOM 759 CA GLU A 50 -4.536 1.596 -4.233 1.00 0.00 C0 ATOM 760 C GLU A 50 -5.958 1.150 -3.919 1.00 0.00 C0 ATOM 761 O GLU A 50 -6.223 -0.039 -3.748 1.00 0.00 O0 ATOM 762 CB GLU A 50 -3.971 2.397 -3.058 1.00 0.00 C0 ATOM 763 CG GLU A 50 -3.967 1.651 -1.731 1.00 0.00 C0 ATOM 764 CD GLU A 50 -3.407 2.470 -0.601 1.00 0.00 C0 ATOM 765 OE1 GLU A 50 -3.026 3.591 -0.838 1.00 0.00 O0 ATOM 766 OE2 GLU A 50 -3.359 1.972 0.499 1.00 0.00 O1- ATOM 0 H GLU A 50 -4.208 3.358 -5.321 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.924 0.707 -4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.950 2.696 -3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.553 3.312 -2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.986 1.351 -1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.382 0.737 -1.835 1.00 0.00 H new ATOM 773 N SER A 51 -6.872 2.114 -3.845 1.00 0.00 N0 ATOM 774 CA SER A 51 -8.222 1.852 -3.362 1.00 0.00 C0 ATOM 775 C SER A 51 -8.919 0.802 -4.217 1.00 0.00 C0 ATOM 776 O SER A 51 -9.618 -0.069 -3.701 1.00 0.00 O0 ATOM 777 CB SER A 51 -9.032 3.134 -3.359 1.00 0.00 C0 ATOM 778 OG SER A 51 -8.508 4.058 -2.446 1.00 0.00 O0 ATOM 0 H SER A 51 -6.701 3.083 -4.114 1.00 0.00 H new ATOM 0 HA SER A 51 -8.147 1.469 -2.344 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.036 3.568 -4.359 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.068 2.913 -3.103 1.00 0.00 H new ATOM 0 HG SER A 51 -7.712 4.481 -2.830 1.00 0.00 H new ATOM 784 N HIS A 52 -8.724 0.890 -5.529 1.00 0.00 N0 ATOM 785 CA HIS A 52 -9.439 0.035 -6.469 1.00 0.00 C0 ATOM 786 C HIS A 52 -8.529 -1.052 -7.027 1.00 0.00 C0 ATOM 787 O HIS A 52 -8.896 -1.762 -7.963 1.00 0.00 O0 ATOM 788 CB HIS A 52 -10.021 0.862 -7.619 1.00 0.00 C0 ATOM 789 CG HIS A 52 -11.046 1.862 -7.183 1.00 0.00 C0 ATOM 790 ND1 HIS A 52 -12.317 1.500 -6.788 1.00 0.00 N0 ATOM 791 CD2 HIS A 52 -10.990 3.211 -7.080 1.00 0.00 C0 ATOM 792 CE1 HIS A 52 -12.998 2.584 -6.460 1.00 0.00 C0 ATOM 793 NE2 HIS A 52 -12.215 3.635 -6.629 1.00 0.00 N0 ATOM 0 H HIS A 52 -8.076 1.546 -5.965 1.00 0.00 H new ATOM 0 HA HIS A 52 -10.255 -0.441 -5.924 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -9.210 1.384 -8.126 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -10.471 0.188 -8.348 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -12.675 0.546 -6.754 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -10.140 3.837 -7.310 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -14.020 2.607 -6.113 1.00 0.00 H new ATOM 801 N ASN A 53 -7.340 -1.176 -6.447 1.00 0.00 N0 ATOM 802 CA ASN A 53 -6.390 -2.204 -6.857 1.00 0.00 C0 ATOM 803 C ASN A 53 -6.190 -2.197 -8.367 1.00 0.00 C0 ATOM 804 O ASN A 53 -6.287 -3.235 -9.021 1.00 0.00 O0 ATOM 805 CB ASN A 53 -6.848 -3.572 -6.386 1.00 0.00 C0 ATOM 806 CG ASN A 53 -6.869 -3.690 -4.887 1.00 0.00 C0 ATOM 807 OD1 ASN A 53 -5.915 -3.292 -4.208 1.00 0.00 O0 ATOM 808 ND2 ASN A 53 -7.938 -4.228 -4.358 1.00 0.00 N0 ATOM 0 H ASN A 53 -7.011 -0.576 -5.690 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.431 -1.980 -6.390 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.846 -3.771 -6.777 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.186 -4.334 -6.798 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.008 -4.333 -3.346 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.701 -4.542 -4.958 1.00 0.00 H new ATOM 815 N LYS A 54 -5.909 -1.020 -8.916 1.00 0.00 N0 ATOM 816 CA LYS A 54 -5.776 -0.859 -10.359 1.00 0.00 C0 ATOM 817 C LYS A 54 -4.313 -0.746 -10.769 1.00 0.00 C0 ATOM 818 O LYS A 54 -4.002 -0.407 -11.910 1.00 0.00 O0 ATOM 819 CB LYS A 54 -6.552 0.370 -10.835 1.00 0.00 C0 ATOM 820 CG LYS A 54 -8.056 0.291 -10.609 1.00 0.00 C0 ATOM 821 CD LYS A 54 -8.670 -0.867 -11.381 1.00 0.00 C0 ATOM 822 CE LYS A 54 -10.181 -0.906 -11.210 1.00 0.00 C0 ATOM 823 NZ LYS A 54 -10.794 -2.052 -11.938 1.00 0.00 N1+ ATOM 0 H LYS A 54 -5.769 -0.162 -8.382 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.195 -1.747 -10.833 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.165 1.250 -10.321 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.364 0.514 -11.899 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.260 0.171 -9.545 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.522 1.226 -10.920 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.424 -0.773 -12.439 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.238 -1.806 -11.036 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.424 -0.978 -10.150 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.612 0.027 -11.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.824 -2.042 -11.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.584 -1.971 -12.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.403 -2.944 -11.574 1.00 0.00 H new ATOM 837 N LEU A 55 -3.418 -1.034 -9.830 1.00 0.00 N0 ATOM 838 CA LEU A 55 -1.989 -1.075 -10.120 1.00 0.00 C0 ATOM 839 C LEU A 55 -1.512 -2.506 -10.336 1.00 0.00 C0 ATOM 840 O LEU A 55 -1.748 -3.381 -9.503 1.00 0.00 O0 ATOM 841 CB LEU A 55 -1.196 -0.432 -8.976 1.00 0.00 C0 ATOM 842 CG LEU A 55 0.330 -0.499 -9.104 1.00 0.00 C0 ATOM 843 CD1 LEU A 55 0.776 0.322 -10.306 1.00 0.00 C0 ATOM 844 CD2 LEU A 55 0.970 0.014 -7.822 1.00 0.00 C0 ATOM 0 H LEU A 55 -3.657 -1.243 -8.861 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.818 -0.513 -11.038 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.490 0.615 -8.898 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.485 -0.914 -8.042 1.00 0.00 H new ATOM 0 HG LEU A 55 0.646 -1.531 -9.257 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.861 0.274 -10.397 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.318 -0.079 -11.210 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.468 1.359 -10.173 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.055 -0.034 -7.913 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.665 1.046 -7.651 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.649 -0.603 -6.983 1.00 0.00 H new ATOM 856 N ASP A 56 -0.839 -2.736 -11.458 1.00 0.00 N0 ATOM 857 CA ASP A 56 -0.336 -4.064 -11.789 1.00 0.00 C0 ATOM 858 C ASP A 56 0.990 -3.979 -12.536 1.00 0.00 C0 ATOM 859 O ASP A 56 1.591 -2.911 -12.634 1.00 0.00 O0 ATOM 860 CB ASP A 56 -1.356 -4.830 -12.634 1.00 0.00 C0 ATOM 861 CG ASP A 56 -1.635 -4.162 -13.975 1.00 0.00 C0 ATOM 862 OD1 ASP A 56 -0.872 -3.310 -14.362 1.00 0.00 O0 ATOM 863 OD2 ASP A 56 -2.609 -4.512 -14.599 1.00 0.00 O1- ATOM 0 H ASP A 56 -0.629 -2.020 -12.154 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.173 -4.599 -10.853 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.990 -5.842 -12.807 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.289 -4.919 -12.077 1.00 0.00 H new ATOM 868 N LYS A 57 1.439 -5.114 -13.062 1.00 0.00 N0 ATOM 869 CA LYS A 57 2.733 -5.187 -13.731 1.00 0.00 C0 ATOM 870 C LYS A 57 2.748 -4.339 -14.996 1.00 0.00 C0 ATOM 871 O LYS A 57 3.760 -3.722 -15.329 1.00 0.00 O0 ATOM 872 CB LYS A 57 3.080 -6.639 -14.069 1.00 0.00 C0 ATOM 873 CG LYS A 57 4.467 -6.832 -14.667 1.00 0.00 C0 ATOM 874 CD LYS A 57 4.782 -8.307 -14.868 1.00 0.00 C0 ATOM 875 CE LYS A 57 6.163 -8.500 -15.476 1.00 0.00 C0 ATOM 876 NZ LYS A 57 6.479 -9.938 -15.692 1.00 0.00 N1+ ATOM 0 H LYS A 57 0.926 -5.995 -13.038 1.00 0.00 H new ATOM 0 HA LYS A 57 3.484 -4.792 -13.047 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.002 -7.239 -13.162 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.339 -7.023 -14.770 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.529 -6.311 -15.623 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.214 -6.385 -14.011 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.728 -8.826 -13.911 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.031 -8.756 -15.517 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.218 -7.970 -16.427 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.913 -8.058 -14.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.428 -10.026 -16.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.451 -10.440 -14.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.778 -10.354 -16.338 1.00 0.00 H new ATOM 890 N ASP A 58 1.620 -4.312 -15.698 1.00 0.00 N0 ATOM 891 CA ASP A 58 1.507 -3.554 -16.938 1.00 0.00 C0 ATOM 892 C ASP A 58 1.695 -2.063 -16.693 1.00 0.00 C0 ATOM 893 O ASP A 58 2.399 -1.384 -17.441 1.00 0.00 O0 ATOM 894 CB ASP A 58 0.148 -3.803 -17.597 1.00 0.00 C0 ATOM 895 CG ASP A 58 0.027 -5.196 -18.199 1.00 0.00 C0 ATOM 896 OD1 ASP A 58 1.036 -5.840 -18.364 1.00 0.00 O0 ATOM 897 OD2 ASP A 58 -1.073 -5.602 -18.488 1.00 0.00 O1- ATOM 0 H ASP A 58 0.770 -4.807 -15.428 1.00 0.00 H new ATOM 0 HA ASP A 58 2.297 -3.895 -17.607 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.640 -3.663 -16.857 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.013 -3.060 -18.378 1.00 0.00 H new ATOM 902 N ASN A 59 1.061 -1.558 -15.640 1.00 0.00 N0 ATOM 903 CA ASN A 59 1.175 -0.149 -15.281 1.00 0.00 C0 ATOM 904 C ASN A 59 2.574 0.180 -14.780 1.00 0.00 C0 ATOM 905 O ASN A 59 3.088 1.274 -15.015 1.00 0.00 O0 ATOM 906 CB ASN A 59 0.134 0.223 -14.241 1.00 0.00 C0 ATOM 907 CG ASN A 59 -1.245 0.358 -14.826 1.00 0.00 C0 ATOM 908 OD1 ASN A 59 -1.400 0.643 -16.019 1.00 0.00 O0 ATOM 909 ND2 ASN A 59 -2.248 0.160 -14.009 1.00 0.00 N0 ATOM 0 H ASN A 59 0.463 -2.104 -15.020 1.00 0.00 H new ATOM 0 HA ASN A 59 0.994 0.441 -16.179 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.120 -0.536 -13.459 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.418 1.163 -13.768 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.206 0.239 -14.349 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.071 -0.073 -13.032 1.00 0.00 H new ATOM 916 N LEU A 60 3.189 -0.773 -14.087 1.00 0.00 N0 ATOM 917 CA LEU A 60 4.581 -0.643 -13.674 1.00 0.00 C0 ATOM 918 C LEU A 60 5.520 -0.696 -14.872 1.00 0.00 C0 ATOM 919 O LEU A 60 6.563 -0.042 -14.884 1.00 0.00 O0 ATOM 920 CB LEU A 60 4.945 -1.756 -12.682 1.00 0.00 C0 ATOM 921 CG LEU A 60 4.256 -1.680 -11.314 1.00 0.00 C0 ATOM 922 CD1 LEU A 60 4.484 -2.981 -10.556 1.00 0.00 C0 ATOM 923 CD2 LEU A 60 4.802 -0.491 -10.536 1.00 0.00 C0 ATOM 0 H LEU A 60 2.744 -1.645 -13.800 1.00 0.00 H new ATOM 0 HA LEU A 60 4.697 0.327 -13.190 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.703 -2.716 -13.137 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.024 -1.740 -12.526 1.00 0.00 H new ATOM 0 HG LEU A 60 3.183 -1.542 -11.445 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.994 -2.926 -9.584 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.068 -3.812 -11.126 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.553 -3.137 -10.415 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.312 -0.437 -9.564 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.876 -0.611 -10.395 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.609 0.427 -11.091 1.00 0.00 H new ATOM 935 N SER A 61 5.143 -1.477 -15.878 1.00 0.00 N0 ATOM 936 CA SER A 61 5.917 -1.566 -17.111 1.00 0.00 C0 ATOM 937 C SER A 61 5.812 -0.280 -17.921 1.00 0.00 C0 ATOM 938 O SER A 61 6.767 0.126 -18.584 1.00 0.00 O0 ATOM 939 CB SER A 61 5.439 -2.739 -17.944 1.00 0.00 C0 ATOM 940 OG SER A 61 5.678 -3.953 -17.285 1.00 0.00 O0 ATOM 0 H SER A 61 4.305 -2.058 -15.864 1.00 0.00 H new ATOM 0 HA SER A 61 6.962 -1.716 -16.842 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.373 -2.635 -18.147 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.949 -2.737 -18.907 1.00 0.00 H new ATOM 0 HG SER A 61 5.061 -4.042 -16.529 1.00 0.00 H new ATOM 946 N TYR A 62 4.647 0.356 -17.863 1.00 0.00 N0 ATOM 947 CA TYR A 62 4.439 1.635 -18.531 1.00 0.00 C0 ATOM 948 C TYR A 62 5.412 2.689 -18.017 1.00 0.00 C0 ATOM 949 O TYR A 62 5.913 3.511 -18.784 1.00 0.00 O0 ATOM 950 CB TYR A 62 2.996 2.108 -18.345 1.00 0.00 C0 ATOM 951 CG TYR A 62 1.976 1.258 -19.070 1.00 0.00 C0 ATOM 952 CD1 TYR A 62 2.373 0.444 -20.120 1.00 0.00 C0 ATOM 953 CD2 TYR A 62 0.644 1.293 -18.685 1.00 0.00 C0 ATOM 954 CE1 TYR A 62 1.442 -0.332 -20.783 1.00 0.00 C0 ATOM 955 CE2 TYR A 62 -0.287 0.518 -19.348 1.00 0.00 C0 ATOM 956 CZ TYR A 62 0.108 -0.293 -20.393 1.00 0.00 C0 ATOM 957 OH TYR A 62 -0.819 -1.066 -21.053 1.00 0.00 O0 ATOM 0 H TYR A 62 3.832 0.006 -17.360 1.00 0.00 H new ATOM 0 HA TYR A 62 4.627 1.492 -19.595 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.760 2.114 -17.281 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.913 3.137 -18.696 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.410 0.417 -20.420 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.335 1.926 -17.867 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.749 -0.967 -21.601 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.324 0.546 -19.049 1.00 0.00 H new ATOM 0 HH TYR A 62 -1.704 -0.924 -20.657 1.00 0.00 H new ATOM 967 N ILE A 63 5.673 2.661 -16.715 1.00 0.00 N0 ATOM 968 CA ILE A 63 6.673 3.536 -16.116 1.00 0.00 C0 ATOM 969 C ILE A 63 8.061 3.253 -16.676 1.00 0.00 C0 ATOM 970 O ILE A 63 8.812 4.173 -16.997 1.00 0.00 O0 ATOM 971 CB ILE A 63 6.695 3.378 -14.585 1.00 0.00 C0 ATOM 972 CG1 ILE A 63 5.407 3.937 -13.972 1.00 0.00 C0 ATOM 973 CG2 ILE A 63 7.913 4.071 -13.994 1.00 0.00 C0 ATOM 974 CD1 ILE A 63 5.235 3.606 -12.507 1.00 0.00 C0 ATOM 0 H ILE A 63 5.205 2.041 -16.054 1.00 0.00 H new ATOM 0 HA ILE A 63 6.397 4.561 -16.365 1.00 0.00 H new ATOM 0 HB ILE A 63 6.757 2.316 -14.348 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.398 5.020 -14.094 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.553 3.547 -14.526 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.911 3.949 -12.911 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.819 3.629 -14.408 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.882 5.133 -14.239 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.301 4.035 -12.144 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.211 2.524 -12.379 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.069 4.020 -11.940 1.00 0.00 H new ATOM 986 N GLU A 64 8.396 1.972 -16.790 1.00 0.00 N0 ATOM 987 CA GLU A 64 9.641 1.560 -17.427 1.00 0.00 C0 ATOM 988 C GLU A 64 9.755 2.132 -18.835 1.00 0.00 C0 ATOM 989 O GLU A 64 10.823 2.588 -19.245 1.00 0.00 O0 ATOM 990 CB GLU A 64 9.735 0.034 -17.479 1.00 0.00 C0 ATOM 991 CG GLU A 64 11.038 -0.497 -18.060 1.00 0.00 C0 ATOM 992 CD GLU A 64 11.097 -2.000 -18.086 1.00 0.00 C0 ATOM 993 OE1 GLU A 64 10.066 -2.614 -18.212 1.00 0.00 O0 ATOM 994 OE2 GLU A 64 12.177 -2.533 -17.981 1.00 0.00 O1- ATOM 0 H GLU A 64 7.822 1.201 -16.449 1.00 0.00 H new ATOM 0 HA GLU A 64 10.465 1.950 -16.829 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.614 -0.360 -16.470 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.904 -0.349 -18.072 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.160 -0.116 -19.074 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.874 -0.116 -17.473 1.00 0.00 H new ATOM 1001 N HIS A 65 8.650 2.106 -19.570 1.00 0.00 N0 ATOM 1002 CA HIS A 65 8.632 2.593 -20.944 1.00 0.00 C0 ATOM 1003 C HIS A 65 8.820 4.103 -20.996 1.00 0.00 C0 ATOM 1004 O HIS A 65 9.423 4.632 -21.931 1.00 0.00 O0 ATOM 1005 CB HIS A 65 7.319 2.213 -21.637 1.00 0.00 C0 ATOM 1006 CG HIS A 65 7.202 0.753 -21.947 1.00 0.00 C0 ATOM 1007 ND1 HIS A 65 8.133 0.077 -22.707 1.00 0.00 N0 ATOM 1008 CD2 HIS A 65 6.265 -0.161 -21.600 1.00 0.00 C0 ATOM 1009 CE1 HIS A 65 7.774 -1.191 -22.814 1.00 0.00 C0 ATOM 1010 NE2 HIS A 65 6.644 -1.360 -22.151 1.00 0.00 N0 ATOM 0 H HIS A 65 7.753 1.752 -19.237 1.00 0.00 H new ATOM 0 HA HIS A 65 9.462 2.121 -21.469 1.00 0.00 H new ATOM 0 HB2 HIS A 65 6.484 2.508 -21.001 1.00 0.00 H new ATOM 0 HB3 HIS A 65 7.230 2.780 -22.564 1.00 0.00 H new ATOM 0 HD1 HIS A 65 8.968 0.491 -23.122 1.00 0.00 H new ATOM 0 HD2 HIS A 65 5.384 0.020 -21.002 1.00 0.00 H new ATOM 0 HE1 HIS A 65 8.313 -1.957 -23.352 1.00 0.00 H new ATOM 1018 N ILE A 66 8.302 4.794 -19.987 1.00 0.00 N0 ATOM 1019 CA ILE A 66 8.549 6.222 -19.828 1.00 0.00 C0 ATOM 1020 C ILE A 66 10.033 6.505 -19.626 1.00 0.00 C0 ATOM 1021 O ILE A 66 10.571 7.468 -20.171 1.00 0.00 O0 ATOM 1022 CB ILE A 66 7.751 6.790 -18.640 1.00 0.00 C0 ATOM 1023 CG1 ILE A 66 6.252 6.775 -18.950 1.00 0.00 C0 ATOM 1024 CG2 ILE A 66 8.217 8.199 -18.312 1.00 0.00 C0 ATOM 1025 CD1 ILE A 66 5.378 7.065 -17.750 1.00 0.00 C0 ATOM 0 H ILE A 66 7.707 4.387 -19.265 1.00 0.00 H new ATOM 0 HA ILE A 66 8.219 6.712 -20.744 1.00 0.00 H new ATOM 0 HB ILE A 66 7.928 6.160 -17.769 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.044 7.511 -19.726 1.00 0.00 H new ATOM 0 HG13 ILE A 66 5.984 5.800 -19.356 1.00 0.00 H new ATOM 0 HG21 ILE A 66 7.643 8.585 -17.470 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.275 8.181 -18.051 1.00 0.00 H new ATOM 0 HG23 ILE A 66 8.068 8.843 -19.179 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.330 7.037 -18.048 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.557 6.314 -16.980 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.617 8.053 -17.356 1.00 0.00 H new ATOM 1037 N PHE A 67 10.689 5.660 -18.838 1.00 0.00 N0 ATOM 1038 CA PHE A 67 12.124 5.781 -18.611 1.00 0.00 C0 ATOM 1039 C PHE A 67 12.909 5.501 -19.885 1.00 0.00 C0 ATOM 1040 O PHE A 67 13.964 6.091 -20.119 1.00 0.00 O0 ATOM 1041 CB PHE A 67 12.573 4.822 -17.507 1.00 0.00 C0 ATOM 1042 CG PHE A 67 12.198 5.270 -16.124 1.00 0.00 C0 ATOM 1043 CD1 PHE A 67 11.813 4.349 -15.161 1.00 0.00 C0 ATOM 1044 CD2 PHE A 67 12.228 6.614 -15.783 1.00 0.00 C0 ATOM 1045 CE1 PHE A 67 11.469 4.761 -13.887 1.00 0.00 C0 ATOM 1046 CE2 PHE A 67 11.884 7.028 -14.510 1.00 0.00 C0 ATOM 1047 CZ PHE A 67 11.503 6.100 -13.562 1.00 0.00 C0 ATOM 0 H PHE A 67 10.249 4.883 -18.345 1.00 0.00 H new ATOM 0 HA PHE A 67 12.325 6.806 -18.300 1.00 0.00 H new ATOM 0 HB2 PHE A 67 12.136 3.841 -17.692 1.00 0.00 H new ATOM 0 HB3 PHE A 67 13.655 4.704 -17.559 1.00 0.00 H new ATOM 0 HD1 PHE A 67 11.782 3.298 -15.409 1.00 0.00 H new ATOM 0 HD2 PHE A 67 12.524 7.345 -16.521 1.00 0.00 H new ATOM 0 HE1 PHE A 67 11.173 4.033 -13.146 1.00 0.00 H new ATOM 0 HE2 PHE A 67 11.913 8.078 -14.257 1.00 0.00 H new ATOM 0 HZ PHE A 67 11.232 6.422 -12.568 1.00 0.00 H new ATOM 1057 N GLU A 68 12.389 4.598 -20.708 1.00 0.00 N0 ATOM 1058 CA GLU A 68 12.964 4.337 -22.023 1.00 0.00 C0 ATOM 1059 C GLU A 68 12.891 5.573 -22.911 1.00 0.00 C0 ATOM 1060 O GLU A 68 13.831 5.879 -23.644 1.00 0.00 O0 ATOM 1061 CB GLU A 68 12.242 3.170 -22.699 1.00 0.00 C0 ATOM 1062 CG GLU A 68 12.521 1.810 -22.072 1.00 0.00 C0 ATOM 1063 CD GLU A 68 11.723 0.702 -22.700 1.00 0.00 C0 ATOM 1064 OE1 GLU A 68 10.725 0.990 -23.317 1.00 0.00 O0 ATOM 1065 OE2 GLU A 68 12.110 -0.434 -22.562 1.00 0.00 O1- ATOM 0 H GLU A 68 11.569 4.033 -20.488 1.00 0.00 H new ATOM 0 HA GLU A 68 14.013 4.076 -21.882 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.169 3.357 -22.670 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.532 3.139 -23.749 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.583 1.584 -22.165 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.296 1.854 -21.006 1.00 0.00 H new ATOM 1072 N ILE A 69 11.769 6.282 -22.838 1.00 0.00 N0 ATOM 1073 CA ILE A 69 11.608 7.537 -23.563 1.00 0.00 C0 ATOM 1074 C ILE A 69 12.587 8.592 -23.064 1.00 0.00 C0 ATOM 1075 O ILE A 69 13.204 9.303 -23.856 1.00 0.00 O0 ATOM 1076 CB ILE A 69 10.169 8.067 -23.430 1.00 0.00 C0 ATOM 1077 CG1 ILE A 69 9.190 7.143 -24.161 1.00 0.00 C0 ATOM 1078 CG2 ILE A 69 10.072 9.485 -23.972 1.00 0.00 C0 ATOM 1079 CD1 ILE A 69 7.738 7.416 -23.841 1.00 0.00 C0 ATOM 0 H ILE A 69 10.958 6.008 -22.284 1.00 0.00 H new ATOM 0 HA ILE A 69 11.818 7.334 -24.613 1.00 0.00 H new ATOM 0 HB ILE A 69 9.902 8.085 -22.373 1.00 0.00 H new ATOM 0 HG12 ILE A 69 9.341 7.246 -25.236 1.00 0.00 H new ATOM 0 HG13 ILE A 69 9.421 6.109 -23.905 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.048 9.844 -23.870 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.742 10.136 -23.411 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.356 9.493 -25.024 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.106 6.722 -24.396 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.570 7.284 -22.772 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.489 8.439 -24.124 1.00 0.00 H new ATOM 1091 N SER A 70 12.723 8.687 -21.745 1.00 0.00 N0 ATOM 1092 CA SER A 70 13.644 9.640 -21.138 1.00 0.00 C0 ATOM 1093 C SER A 70 15.090 9.192 -21.306 1.00 0.00 C0 ATOM 1094 O SER A 70 16.021 9.973 -21.104 1.00 0.00 O0 ATOM 1095 CB SER A 70 13.325 9.808 -19.666 1.00 0.00 C0 ATOM 1096 OG SER A 70 13.655 8.652 -18.945 1.00 0.00 O0 ATOM 0 H SER A 70 12.207 8.115 -21.076 1.00 0.00 H new ATOM 0 HA SER A 70 13.522 10.597 -21.646 1.00 0.00 H new ATOM 0 HB2 SER A 70 13.875 10.660 -19.266 1.00 0.00 H new ATOM 0 HB3 SER A 70 12.264 10.027 -19.543 1.00 0.00 H new ATOM 0 HG SER A 70 13.690 7.885 -19.554 1.00 0.00 H new ATOM 1102 N ARG A 71 15.274 7.929 -21.677 1.00 0.00 N0 ATOM 1103 CA ARG A 71 16.606 7.389 -21.928 1.00 0.00 C0 ATOM 1104 C ARG A 71 17.465 7.437 -20.672 1.00 0.00 C0 ATOM 1105 O ARG A 71 18.533 8.050 -20.662 1.00 0.00 O0 ATOM 1106 CB ARG A 71 17.295 8.165 -23.042 1.00 0.00 C0 ATOM 1107 CG ARG A 71 16.588 8.118 -24.387 1.00 0.00 C0 ATOM 1108 CD ARG A 71 17.359 8.832 -25.437 1.00 0.00 C0 ATOM 1109 NE ARG A 71 16.687 8.787 -26.727 1.00 0.00 N0 ATOM 1110 CZ ARG A 71 17.129 9.403 -27.840 1.00 0.00 C0 ATOM 1111 NH1 ARG A 71 18.239 10.107 -27.806 1.00 0.00 N1+ ATOM 1112 NH2 ARG A 71 16.445 9.301 -28.966 1.00 0.00 N0 ATOM 0 H ARG A 71 14.516 7.259 -21.811 1.00 0.00 H new ATOM 0 HA ARG A 71 16.487 6.349 -22.231 1.00 0.00 H new ATOM 0 HB2 ARG A 71 17.390 9.206 -22.734 1.00 0.00 H new ATOM 0 HB3 ARG A 71 18.305 7.775 -23.165 1.00 0.00 H new ATOM 0 HG2 ARG A 71 16.442 7.080 -24.685 1.00 0.00 H new ATOM 0 HG3 ARG A 71 15.598 8.566 -24.294 1.00 0.00 H new ATOM 0 HD2 ARG A 71 17.504 9.870 -25.139 1.00 0.00 H new ATOM 0 HD3 ARG A 71 18.349 8.386 -25.527 1.00 0.00 H new ATOM 0 HE ARG A 71 15.821 8.252 -26.793 1.00 0.00 H new ATOM 0 HH11 ARG A 71 18.766 10.187 -26.936 1.00 0.00 H new ATOM 0 HH12 ARG A 71 18.573 10.573 -28.649 1.00 0.00 H new ATOM 0 HH21 ARG A 71 15.583 8.756 -28.992 1.00 0.00 H new ATOM 0 HH22 ARG A 71 16.779 9.767 -29.810 1.00 0.00 H new ATOM 1126 N ARG A 72 16.994 6.788 -19.613 1.00 0.00 N0 ATOM 1127 CA ARG A 72 17.714 6.762 -18.346 1.00 0.00 C0 ATOM 1128 C ARG A 72 17.986 5.333 -17.895 1.00 0.00 C0 ATOM 1129 O ARG A 72 17.203 4.748 -17.148 1.00 0.00 O0 ATOM 1130 CB ARG A 72 16.926 7.490 -17.268 1.00 0.00 C0 ATOM 1131 CG ARG A 72 16.707 8.972 -17.526 1.00 0.00 C0 ATOM 1132 CD ARG A 72 17.972 9.743 -17.414 1.00 0.00 C0 ATOM 1133 NE ARG A 72 18.514 9.701 -16.065 1.00 0.00 N0 ATOM 1134 CZ ARG A 72 18.119 10.503 -15.057 1.00 0.00 C0 ATOM 1135 NH1 ARG A 72 17.180 11.401 -15.259 1.00 0.00 N1+ ATOM 1136 NH2 ARG A 72 18.675 10.387 -13.864 1.00 0.00 N0 ATOM 0 H ARG A 72 16.114 6.272 -19.607 1.00 0.00 H new ATOM 0 HA ARG A 72 18.667 7.267 -18.501 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.955 7.007 -17.160 1.00 0.00 H new ATOM 0 HB3 ARG A 72 17.447 7.375 -16.317 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.284 9.109 -18.521 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.979 9.362 -16.814 1.00 0.00 H new ATOM 0 HD2 ARG A 72 18.706 9.341 -18.113 1.00 0.00 H new ATOM 0 HD3 ARG A 72 17.793 10.779 -17.701 1.00 0.00 H new ATOM 0 HE ARG A 72 19.244 9.017 -15.868 1.00 0.00 H new ATOM 0 HH11 ARG A 72 16.750 11.491 -16.179 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.882 12.008 -14.495 1.00 0.00 H new ATOM 0 HH21 ARG A 72 19.403 9.690 -13.706 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.376 10.994 -13.101 1.00 0.00 H new ATOM 1150 N PRO A 73 19.102 4.775 -18.353 1.00 0.00 N0 ATOM 1151 CA PRO A 73 19.465 3.403 -18.022 1.00 0.00 C0 ATOM 1152 C PRO A 73 19.480 3.186 -16.514 1.00 0.00 C0 ATOM 1153 O PRO A 73 19.107 2.119 -16.026 1.00 0.00 O0 ATOM 1154 CB PRO A 73 20.864 3.260 -18.627 1.00 0.00 C0 ATOM 1155 CG PRO A 73 20.858 4.194 -19.789 1.00 0.00 C0 ATOM 1156 CD PRO A 73 20.066 5.382 -19.309 1.00 0.00 C0 ATOM 0 HA PRO A 73 18.760 2.666 -18.406 1.00 0.00 H new ATOM 0 HB2 PRO A 73 21.638 3.525 -17.907 1.00 0.00 H new ATOM 0 HB3 PRO A 73 21.059 2.235 -18.941 1.00 0.00 H new ATOM 0 HG2 PRO A 73 21.870 4.480 -20.074 1.00 0.00 H new ATOM 0 HG3 PRO A 73 20.397 3.736 -20.665 1.00 0.00 H new ATOM 0 HD2 PRO A 73 20.702 6.123 -18.825 1.00 0.00 H new ATOM 0 HD3 PRO A 73 19.557 5.887 -20.130 1.00 0.00 H new ATOM 1164 N ASP A 74 19.913 4.205 -15.779 1.00 0.00 N0 ATOM 1165 CA ASP A 74 19.974 4.129 -14.324 1.00 0.00 C0 ATOM 1166 C ASP A 74 18.593 3.897 -13.726 1.00 0.00 C0 ATOM 1167 O ASP A 74 18.433 3.103 -12.799 1.00 0.00 O0 ATOM 1168 CB ASP A 74 20.579 5.410 -13.746 1.00 0.00 C0 ATOM 1169 CG ASP A 74 22.072 5.536 -14.016 1.00 0.00 C0 ATOM 1170 OD1 ASP A 74 22.678 4.550 -14.363 1.00 0.00 O0 ATOM 1171 OD2 ASP A 74 22.592 6.616 -13.872 1.00 0.00 O1- ATOM 0 H ASP A 74 20.227 5.094 -16.168 1.00 0.00 H new ATOM 0 HA ASP A 74 20.609 3.283 -14.063 1.00 0.00 H new ATOM 0 HB2 ASP A 74 20.064 6.272 -14.170 1.00 0.00 H new ATOM 0 HB3 ASP A 74 20.406 5.434 -12.670 1.00 0.00 H new ATOM 1176 N LEU A 75 17.597 4.594 -14.262 1.00 0.00 N0 ATOM 1177 CA LEU A 75 16.230 4.480 -13.768 1.00 0.00 C0 ATOM 1178 C LEU A 75 15.526 3.271 -14.368 1.00 0.00 C0 ATOM 1179 O LEU A 75 14.555 2.762 -13.807 1.00 0.00 O0 ATOM 1180 CB LEU A 75 15.441 5.754 -14.096 1.00 0.00 C0 ATOM 1181 CG LEU A 75 15.946 7.040 -13.430 1.00 0.00 C0 ATOM 1182 CD1 LEU A 75 15.150 8.229 -13.950 1.00 0.00 C0 ATOM 1183 CD2 LEU A 75 15.816 6.914 -11.918 1.00 0.00 C0 ATOM 0 H LEU A 75 17.711 5.244 -15.039 1.00 0.00 H new ATOM 0 HA LEU A 75 16.275 4.349 -12.687 1.00 0.00 H new ATOM 0 HB2 LEU A 75 15.452 5.898 -15.176 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.402 5.600 -13.806 1.00 0.00 H new ATOM 0 HG LEU A 75 16.997 7.197 -13.673 1.00 0.00 H new ATOM 0 HD11 LEU A 75 15.509 9.143 -13.476 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.276 8.307 -15.030 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.094 8.090 -13.717 1.00 0.00 H new ATOM 0 HD21 LEU A 75 16.175 7.828 -11.445 1.00 0.00 H new ATOM 0 HD22 LEU A 75 14.770 6.755 -11.655 1.00 0.00 H new ATOM 0 HD23 LEU A 75 16.410 6.068 -11.571 1.00 0.00 H new ATOM 1195 N LEU A 76 16.020 2.813 -15.514 1.00 0.00 N0 ATOM 1196 CA LEU A 76 15.564 1.557 -16.098 1.00 0.00 C0 ATOM 1197 C LEU A 76 16.022 0.365 -15.267 1.00 0.00 C0 ATOM 1198 O LEU A 76 15.382 -0.686 -15.266 1.00 0.00 O0 ATOM 1199 CB LEU A 76 16.088 1.419 -17.533 1.00 0.00 C0 ATOM 1200 CG LEU A 76 15.432 2.335 -18.572 1.00 0.00 C0 ATOM 1201 CD1 LEU A 76 16.174 2.216 -19.896 1.00 0.00 C0 ATOM 1202 CD2 LEU A 76 13.967 1.956 -18.730 1.00 0.00 C0 ATOM 0 H LEU A 76 16.737 3.294 -16.057 1.00 0.00 H new ATOM 0 HA LEU A 76 14.474 1.570 -16.110 1.00 0.00 H new ATOM 0 HB2 LEU A 76 17.160 1.615 -17.529 1.00 0.00 H new ATOM 0 HB3 LEU A 76 15.954 0.385 -17.851 1.00 0.00 H new ATOM 0 HG LEU A 76 15.485 3.372 -18.241 1.00 0.00 H new ATOM 0 HD11 LEU A 76 15.707 2.868 -20.635 1.00 0.00 H new ATOM 0 HD12 LEU A 76 17.214 2.511 -19.758 1.00 0.00 H new ATOM 0 HD13 LEU A 76 16.133 1.184 -20.245 1.00 0.00 H new ATOM 0 HD21 LEU A 76 13.500 2.607 -19.469 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.893 0.920 -19.061 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.457 2.069 -17.773 1.00 0.00 H new ATOM 1214 N THR A 77 17.134 0.537 -14.559 1.00 0.00 N0 ATOM 1215 CA THR A 77 17.576 -0.447 -13.577 1.00 0.00 C0 ATOM 1216 C THR A 77 16.722 -0.389 -12.318 1.00 0.00 C0 ATOM 1217 O THR A 77 16.306 -1.421 -11.790 1.00 0.00 O0 ATOM 1218 CB THR A 77 19.056 -0.236 -13.208 1.00 0.00 C0 ATOM 1219 OG1 THR A 77 19.869 -0.377 -14.382 1.00 0.00 O0 ATOM 1220 CG2 THR A 77 19.497 -1.252 -12.167 1.00 0.00 C0 ATOM 0 H THR A 77 17.745 1.349 -14.647 1.00 0.00 H new ATOM 0 HA THR A 77 17.463 -1.431 -14.033 1.00 0.00 H new ATOM 0 HB THR A 77 19.172 0.766 -12.795 1.00 0.00 H new ATOM 0 HG1 THR A 77 19.715 0.384 -14.980 1.00 0.00 H new ATOM 0 HG21 THR A 77 20.546 -1.087 -11.919 1.00 0.00 H new ATOM 0 HG22 THR A 77 18.890 -1.140 -11.269 1.00 0.00 H new ATOM 0 HG23 THR A 77 19.373 -2.259 -12.566 1.00 0.00 H new ATOM 1228 N MET A 78 16.464 0.822 -11.839 1.00 0.00 N0 ATOM 1229 CA MET A 78 15.758 1.014 -10.577 1.00 0.00 C0 ATOM 1230 C MET A 78 14.303 0.579 -10.688 1.00 0.00 C0 ATOM 1231 O MET A 78 13.750 -0.015 -9.762 1.00 0.00 O0 ATOM 1232 CB MET A 78 15.847 2.475 -10.139 1.00 0.00 C0 ATOM 1233 CG MET A 78 17.232 2.915 -9.688 1.00 0.00 C0 ATOM 1234 SD MET A 78 17.867 1.920 -8.323 1.00 0.00 S0 ATOM 1235 CE MET A 78 16.705 2.342 -7.029 1.00 0.00 C0 ATOM 0 H MET A 78 16.734 1.688 -12.306 1.00 0.00 H new ATOM 0 HA MET A 78 16.237 0.390 -9.823 1.00 0.00 H new ATOM 0 HB2 MET A 78 15.530 3.109 -10.967 1.00 0.00 H new ATOM 0 HB3 MET A 78 15.143 2.640 -9.323 1.00 0.00 H new ATOM 0 HG2 MET A 78 17.921 2.852 -10.530 1.00 0.00 H new ATOM 0 HG3 MET A 78 17.196 3.961 -9.384 1.00 0.00 H new ATOM 0 HE1 MET A 78 17.104 2.028 -6.065 1.00 0.00 H new ATOM 0 HE2 MET A 78 16.545 3.420 -7.021 1.00 0.00 H new ATOM 0 HE3 MET A 78 15.757 1.836 -7.212 1.00 0.00 H new ATOM 1245 N VAL A 79 13.687 0.877 -11.827 1.00 0.00 N0 ATOM 1246 CA VAL A 79 12.274 0.584 -12.033 1.00 0.00 C0 ATOM 1247 C VAL A 79 12.010 -0.916 -11.990 1.00 0.00 C0 ATOM 1248 O VAL A 79 10.908 -1.352 -11.661 1.00 0.00 O0 ATOM 1249 CB VAL A 79 11.804 1.145 -13.389 1.00 0.00 C0 ATOM 1250 CG1 VAL A 79 12.370 0.317 -14.533 1.00 0.00 C0 ATOM 1251 CG2 VAL A 79 10.284 1.169 -13.441 1.00 0.00 C0 ATOM 0 H VAL A 79 14.145 1.322 -12.622 1.00 0.00 H new ATOM 0 HA VAL A 79 11.717 1.060 -11.226 1.00 0.00 H new ATOM 0 HB VAL A 79 12.172 2.165 -13.496 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.028 0.727 -15.483 1.00 0.00 H new ATOM 0 HG12 VAL A 79 13.459 0.344 -14.497 1.00 0.00 H new ATOM 0 HG13 VAL A 79 12.029 -0.714 -14.439 1.00 0.00 H new ATOM 0 HG21 VAL A 79 9.959 1.567 -14.402 1.00 0.00 H new ATOM 0 HG22 VAL A 79 9.900 0.156 -13.319 1.00 0.00 H new ATOM 0 HG23 VAL A 79 9.902 1.801 -12.639 1.00 0.00 H new ATOM 1261 N VAL A 80 13.030 -1.701 -12.323 1.00 0.00 N0 ATOM 1262 CA VAL A 80 12.950 -3.152 -12.205 1.00 0.00 C0 ATOM 1263 C VAL A 80 12.915 -3.585 -10.745 1.00 0.00 C0 ATOM 1264 O VAL A 80 12.125 -4.447 -10.362 1.00 0.00 O0 ATOM 1265 CB VAL A 80 14.153 -3.811 -12.905 1.00 0.00 C0 ATOM 1266 CG1 VAL A 80 14.183 -5.306 -12.617 1.00 0.00 C0 ATOM 1267 CG2 VAL A 80 14.088 -3.552 -14.402 1.00 0.00 C0 ATOM 0 H VAL A 80 13.922 -1.356 -12.677 1.00 0.00 H new ATOM 0 HA VAL A 80 12.026 -3.474 -12.686 1.00 0.00 H new ATOM 0 HB VAL A 80 15.072 -3.373 -12.516 1.00 0.00 H new ATOM 0 HG11 VAL A 80 15.039 -5.756 -13.119 1.00 0.00 H new ATOM 0 HG12 VAL A 80 14.266 -5.468 -11.542 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.265 -5.766 -12.983 1.00 0.00 H new ATOM 0 HG21 VAL A 80 14.942 -4.021 -14.890 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.165 -3.971 -14.804 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.110 -2.478 -14.587 1.00 0.00 H new ATOM 1277 N ASP A 81 13.777 -2.982 -9.934 1.00 0.00 N0 ATOM 1278 CA ASP A 81 13.781 -3.234 -8.498 1.00 0.00 C0 ATOM 1279 C ASP A 81 12.475 -2.786 -7.855 1.00 0.00 C0 ATOM 1280 O ASP A 81 11.931 -3.470 -6.989 1.00 0.00 O0 ATOM 1281 CB ASP A 81 14.957 -2.516 -7.831 1.00 0.00 C0 ATOM 1282 CG ASP A 81 16.300 -3.164 -8.142 1.00 0.00 C0 ATOM 1283 OD1 ASP A 81 16.306 -4.281 -8.602 1.00 0.00 O0 ATOM 1284 OD2 ASP A 81 17.306 -2.535 -7.916 1.00 0.00 O1- ATOM 0 H ASP A 81 14.482 -2.315 -10.247 1.00 0.00 H new ATOM 0 HA ASP A 81 13.887 -4.309 -8.352 1.00 0.00 H new ATOM 0 HB2 ASP A 81 14.976 -1.477 -8.160 1.00 0.00 H new ATOM 0 HB3 ASP A 81 14.805 -2.506 -6.752 1.00 0.00 H new ATOM 1289 N TYR A 82 11.976 -1.632 -8.284 1.00 0.00 N0 ATOM 1290 CA TYR A 82 10.723 -1.098 -7.764 1.00 0.00 C0 ATOM 1291 C TYR A 82 9.540 -1.964 -8.180 1.00 0.00 C0 ATOM 1292 O TYR A 82 8.680 -2.290 -7.363 1.00 0.00 O0 ATOM 1293 CB TYR A 82 10.518 0.343 -8.236 1.00 0.00 C0 ATOM 1294 CG TYR A 82 11.383 1.351 -7.512 1.00 0.00 C0 ATOM 1295 CD1 TYR A 82 12.231 2.181 -8.231 1.00 0.00 C0 ATOM 1296 CD2 TYR A 82 11.328 1.446 -6.130 1.00 0.00 C0 ATOM 1297 CE1 TYR A 82 13.021 3.101 -7.571 1.00 0.00 C0 ATOM 1298 CE2 TYR A 82 12.118 2.367 -5.469 1.00 0.00 C0 ATOM 1299 CZ TYR A 82 12.961 3.192 -6.184 1.00 0.00 C0 ATOM 1300 OH TYR A 82 13.749 4.109 -5.526 1.00 0.00 O0 ATOM 0 H TYR A 82 12.421 -1.048 -8.992 1.00 0.00 H new ATOM 0 HA TYR A 82 10.782 -1.106 -6.676 1.00 0.00 H new ATOM 0 HB2 TYR A 82 10.728 0.399 -9.304 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.471 0.614 -8.102 1.00 0.00 H new ATOM 0 HD1 TYR A 82 12.273 2.107 -9.308 1.00 0.00 H new ATOM 0 HD2 TYR A 82 10.668 0.800 -5.570 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.683 3.747 -8.129 1.00 0.00 H new ATOM 0 HE2 TYR A 82 12.075 2.441 -4.392 1.00 0.00 H new ATOM 0 HH TYR A 82 13.859 4.906 -6.085 1.00 0.00 H new ATOM 1310 N ARG A 83 9.503 -2.331 -9.457 1.00 0.00 N0 ATOM 1311 CA ARG A 83 8.445 -3.190 -9.976 1.00 0.00 C0 ATOM 1312 C ARG A 83 8.407 -4.523 -9.241 1.00 0.00 C0 ATOM 1313 O ARG A 83 7.338 -5.007 -8.870 1.00 0.00 O0 ATOM 1314 CB ARG A 83 8.642 -3.439 -11.464 1.00 0.00 C0 ATOM 1315 CG ARG A 83 7.644 -4.404 -12.088 1.00 0.00 C0 ATOM 1316 CD ARG A 83 7.722 -4.390 -13.571 1.00 0.00 C0 ATOM 1317 NE ARG A 83 9.026 -4.821 -14.049 1.00 0.00 N0 ATOM 1318 CZ ARG A 83 9.532 -4.525 -15.263 1.00 0.00 C0 ATOM 1319 NH1 ARG A 83 8.833 -3.799 -16.107 1.00 0.00 N1+ ATOM 1320 NH2 ARG A 83 10.730 -4.963 -15.604 1.00 0.00 N0 ATOM 0 H ARG A 83 10.194 -2.047 -10.152 1.00 0.00 H new ATOM 0 HA ARG A 83 7.497 -2.676 -9.817 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.581 -2.486 -11.989 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.648 -3.826 -11.623 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.836 -5.413 -11.723 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.635 -4.138 -11.774 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.951 -5.042 -13.981 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.516 -3.384 -13.936 1.00 0.00 H new ATOM 0 HE ARG A 83 9.598 -5.387 -13.422 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.908 -3.460 -15.843 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.216 -3.575 -17.026 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.273 -5.526 -14.949 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.113 -4.739 -16.523 1.00 0.00 H new ATOM 1334 N THR A 84 9.580 -5.112 -9.034 1.00 0.00 N0 ATOM 1335 CA THR A 84 9.685 -6.373 -8.309 1.00 0.00 C0 ATOM 1336 C THR A 84 9.074 -6.263 -6.918 1.00 0.00 C0 ATOM 1337 O THR A 84 8.273 -7.105 -6.513 1.00 0.00 O0 ATOM 1338 CB THR A 84 11.153 -6.825 -8.194 1.00 0.00 C0 ATOM 1339 OG1 THR A 84 11.696 -7.028 -9.505 1.00 0.00 O0 ATOM 1340 CG2 THR A 84 11.252 -8.120 -7.402 1.00 0.00 C0 ATOM 0 H THR A 84 10.471 -4.736 -9.358 1.00 0.00 H new ATOM 0 HA THR A 84 9.129 -7.118 -8.878 1.00 0.00 H new ATOM 0 HB THR A 84 11.717 -6.050 -7.675 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.890 -6.160 -9.917 1.00 0.00 H new ATOM 0 HG21 THR A 84 12.296 -8.424 -7.331 1.00 0.00 H new ATOM 0 HG22 THR A 84 10.850 -7.966 -6.401 1.00 0.00 H new ATOM 0 HG23 THR A 84 10.681 -8.899 -7.906 1.00 0.00 H new ATOM 1348 N ARG A 85 9.456 -5.219 -6.190 1.00 0.00 N0 ATOM 1349 CA ARG A 85 9.005 -5.037 -4.816 1.00 0.00 C0 ATOM 1350 C ARG A 85 7.498 -4.829 -4.753 1.00 0.00 C0 ATOM 1351 O ARG A 85 6.813 -5.422 -3.920 1.00 0.00 O0 ATOM 1352 CB ARG A 85 9.707 -3.848 -4.176 1.00 0.00 C0 ATOM 1353 CG ARG A 85 11.183 -4.059 -3.880 1.00 0.00 C0 ATOM 1354 CD ARG A 85 11.812 -2.832 -3.326 1.00 0.00 C0 ATOM 1355 NE ARG A 85 13.235 -3.014 -3.088 1.00 0.00 N0 ATOM 1356 CZ ARG A 85 14.059 -2.061 -2.610 1.00 0.00 C0 ATOM 1357 NH1 ARG A 85 13.586 -0.867 -2.326 1.00 0.00 N1+ ATOM 1358 NH2 ARG A 85 15.340 -2.326 -2.428 1.00 0.00 N0 ATOM 0 H ARG A 85 10.078 -4.485 -6.530 1.00 0.00 H new ATOM 0 HA ARG A 85 9.256 -5.944 -4.266 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.603 -2.986 -4.835 1.00 0.00 H new ATOM 0 HB3 ARG A 85 9.196 -3.601 -3.245 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.299 -4.879 -3.171 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.699 -4.352 -4.794 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.662 -2.003 -4.018 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.319 -2.561 -2.392 1.00 0.00 H new ATOM 0 HE ARG A 85 13.638 -3.927 -3.298 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.597 -0.663 -2.468 1.00 0.00 H new ATOM 0 HH12 ARG A 85 14.209 -0.145 -1.964 1.00 0.00 H new ATOM 0 HH21 ARG A 85 15.706 -3.252 -2.649 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.964 -1.605 -2.066 1.00 0.00 H new ATOM 1372 N VAL A 86 6.986 -3.981 -5.640 1.00 0.00 N0 ATOM 1373 CA VAL A 86 5.564 -3.661 -5.660 1.00 0.00 C0 ATOM 1374 C VAL A 86 4.724 -4.894 -5.969 1.00 0.00 C0 ATOM 1375 O VAL A 86 3.673 -5.109 -5.366 1.00 0.00 O0 ATOM 1376 CB VAL A 86 5.276 -2.572 -6.710 1.00 0.00 C0 ATOM 1377 CG1 VAL A 86 3.777 -2.409 -6.912 1.00 0.00 C0 ATOM 1378 CG2 VAL A 86 5.908 -1.256 -6.278 1.00 0.00 C0 ATOM 0 H VAL A 86 7.536 -3.503 -6.354 1.00 0.00 H new ATOM 0 HA VAL A 86 5.294 -3.295 -4.669 1.00 0.00 H new ATOM 0 HB VAL A 86 5.714 -2.874 -7.661 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.592 -1.635 -7.657 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.351 -3.352 -7.255 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.312 -2.123 -5.969 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.700 -0.490 -7.025 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.491 -0.950 -5.319 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.986 -1.385 -6.180 1.00 0.00 H new ATOM 1388 N LEU A 87 5.196 -5.703 -6.912 1.00 0.00 N0 ATOM 1389 CA LEU A 87 4.499 -6.926 -7.291 1.00 0.00 C0 ATOM 1390 C LEU A 87 4.491 -7.932 -6.148 1.00 0.00 C0 ATOM 1391 O LEU A 87 3.529 -8.679 -5.971 1.00 0.00 O0 ATOM 1392 CB LEU A 87 5.159 -7.551 -8.527 1.00 0.00 C0 ATOM 1393 CG LEU A 87 4.972 -6.781 -9.841 1.00 0.00 C0 ATOM 1394 CD1 LEU A 87 5.811 -7.431 -10.933 1.00 0.00 C0 ATOM 1395 CD2 LEU A 87 3.498 -6.770 -10.218 1.00 0.00 C0 ATOM 0 H LEU A 87 6.059 -5.533 -7.428 1.00 0.00 H new ATOM 0 HA LEU A 87 3.467 -6.664 -7.525 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.227 -7.651 -8.335 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.763 -8.558 -8.658 1.00 0.00 H new ATOM 0 HG LEU A 87 5.303 -5.750 -9.720 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.679 -6.885 -11.867 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.862 -7.409 -10.646 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.493 -8.465 -11.069 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.365 -6.223 -11.151 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.147 -7.794 -10.345 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.924 -6.285 -9.428 1.00 0.00 H new ATOM 1407 N LYS A 88 5.571 -7.948 -5.373 1.00 0.00 N0 ATOM 1408 CA LYS A 88 5.649 -8.791 -4.186 1.00 0.00 C0 ATOM 1409 C LYS A 88 4.711 -8.294 -3.095 1.00 0.00 C0 ATOM 1410 O LYS A 88 4.122 -9.088 -2.359 1.00 0.00 O0 ATOM 1411 CB LYS A 88 7.085 -8.843 -3.660 1.00 0.00 C0 ATOM 1412 CG LYS A 88 8.037 -9.674 -4.512 1.00 0.00 C0 ATOM 1413 CD LYS A 88 9.439 -9.684 -3.923 1.00 0.00 C0 ATOM 1414 CE LYS A 88 10.363 -10.602 -4.709 1.00 0.00 C0 ATOM 1415 NZ LYS A 88 11.744 -10.612 -4.152 1.00 0.00 N1+ ATOM 0 H LYS A 88 6.405 -7.386 -5.546 1.00 0.00 H new ATOM 0 HA LYS A 88 5.339 -9.796 -4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.471 -7.826 -3.592 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.074 -9.248 -2.648 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.664 -10.696 -4.587 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.068 -9.271 -5.524 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.843 -8.672 -3.923 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.397 -10.010 -2.884 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.961 -11.615 -4.700 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.394 -10.280 -5.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 12.341 -11.250 -4.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 12.138 -9.650 -4.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.718 -10.943 -3.167 1.00 0.00 H new ATOM 1429 N ILE A 89 4.574 -6.976 -2.992 1.00 0.00 N0 ATOM 1430 CA ILE A 89 3.652 -6.372 -2.037 1.00 0.00 C0 ATOM 1431 C ILE A 89 2.205 -6.688 -2.394 1.00 0.00 C0 ATOM 1432 O ILE A 89 1.409 -7.060 -1.531 1.00 0.00 O0 ATOM 1433 CB ILE A 89 3.846 -4.847 -1.977 1.00 0.00 C0 ATOM 1434 CG1 ILE A 89 5.200 -4.505 -1.351 1.00 0.00 C0 ATOM 1435 CG2 ILE A 89 2.715 -4.198 -1.193 1.00 0.00 C0 ATOM 1436 CD1 ILE A 89 5.607 -3.059 -1.528 1.00 0.00 C0 ATOM 0 H ILE A 89 5.091 -6.305 -3.560 1.00 0.00 H new ATOM 0 HA ILE A 89 3.872 -6.798 -1.058 1.00 0.00 H new ATOM 0 HB ILE A 89 3.828 -4.455 -2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.166 -4.735 -0.286 1.00 0.00 H new ATOM 0 HG13 ILE A 89 5.965 -5.145 -1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.867 -3.119 -1.160 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.764 -4.415 -1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.702 -4.594 -0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 89 6.577 -2.894 -1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.675 -2.828 -2.591 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.863 -2.412 -1.063 1.00 0.00 H new ATOM 1448 N SER A 90 1.869 -6.538 -3.671 1.00 0.00 N0 ATOM 1449 CA SER A 90 0.513 -6.791 -4.141 1.00 0.00 C0 ATOM 1450 C SER A 90 0.126 -8.252 -3.944 1.00 0.00 C0 ATOM 1451 O SER A 90 -0.229 -8.639 -2.865 1.00 0.00 O0 ATOM 1452 CB SER A 90 0.391 -6.420 -5.606 1.00 0.00 C0 ATOM 1453 OG SER A 90 -0.883 -6.734 -6.099 1.00 0.00 O0 ATOM 0 H SER A 90 2.519 -6.242 -4.399 1.00 0.00 H new ATOM 0 HA SER A 90 -0.167 -6.174 -3.554 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.581 -5.354 -5.732 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.149 -6.949 -6.183 1.00 0.00 H new ATOM 0 HG SER A 90 -0.938 -6.484 -7.045 1.00 0.00 H new TER 1459 SER A 90