USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 895 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 98 GLN : amide:sc= 0 K(o=1.1,f=-0.48) USER MOD Set 1.2: A 111 LYS NZ :NH3+ 145:sc= 1.14 (180deg=0.0856) USER MOD Set 2.1: A 85 MET CE :methyl -177:sc= -0.167 (180deg=-0.133) USER MOD Set 2.2: A 103 THR OG1 : rot -151:sc= -1.15 USER MOD Set 3.1: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 106 GLN : amide:sc= -0.549 K(o=-0.55,f=-0.018) USER MOD Set 4.1: A 8 GLN : amide:sc= -1.87 K(o=-1.9,f=-2.8!) USER MOD Set 4.2: A 37 MET CE :methyl -122:sc= -0.0564 (180deg=-1.03) USER MOD Single : A 1 MET CE :methyl 150:sc= 0 (180deg=-0.0772) USER MOD Single : A 1 MET N :NH3+ 132:sc= 0.125 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -69:sc= 1.22 USER MOD Single : A 6 GLN : amide:sc= -2.56 K(o=-2.6,f=-1.1) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-0.012) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0587 K(o=-0.059,f=-0.99) USER MOD Single : A 20 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0124) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -149:sc= 0.951 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0.106 K(o=0.11,f=-5.4!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.137 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -178:sc= -0.726 (180deg=-0.739) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 167:sc= -0.572 (180deg=-0.725) USER MOD Single : A 45 ASN : amide:sc= -1.84 K(o=-1.8,f=-6.3!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -156:sc=-0.000819 (180deg=-0.767) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.826 K(o=-0.83,f=-5.5!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00654 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 136:sc= -1.39 (180deg=-6.7!) USER MOD Single : A 66 THR OG1 : rot 179:sc= 0.0156 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 160:sc= -0.13 (180deg=-0.57) USER MOD Single : A 72 ASN : amide:sc= -0.96 X(o=-0.96,f=-1.2) USER MOD Single : A 74 GLN : amide:sc= -0.305 X(o=-0.31,f=-0.71) USER MOD Single : A 76 ASN : amide:sc= -0.0145 K(o=-0.015,f=-0.88) USER MOD Single : A 80 ASN : amide:sc= 0.375 X(o=0.37,f=-0.039) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.056) USER MOD Single : A 95 THR OG1 : rot 78:sc= 1.19 USER MOD Single : A 97 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.017) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 28:sc= 0.349 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 165:sc= -0.844 (180deg=-1.3) USER MOD Single : A 117 ASN : amide:sc= -0.237 K(o=-0.24,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.695 1.899 -6.580 1.00 0.00 N ATOM 2 CA MET A 1 16.518 1.046 -6.690 1.00 0.00 C ATOM 3 C MET A 1 15.745 1.096 -5.371 1.00 0.00 C ATOM 4 O MET A 1 16.352 1.321 -4.313 1.00 0.00 O ATOM 5 CB MET A 1 16.953 -0.380 -7.058 1.00 0.00 C ATOM 6 CG MET A 1 15.807 -1.397 -7.167 1.00 0.00 C ATOM 7 SD MET A 1 14.346 -0.906 -8.127 1.00 0.00 S ATOM 8 CE MET A 1 15.082 -0.377 -9.694 1.00 0.00 C ATOM 0 H1 MET A 1 18.531 1.383 -6.921 1.00 0.00 H new ATOM 0 H2 MET A 1 17.559 2.755 -7.155 1.00 0.00 H new ATOM 0 H3 MET A 1 17.836 2.169 -5.586 1.00 0.00 H new ATOM 0 HA MET A 1 15.855 1.398 -7.481 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.483 -0.348 -8.010 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.662 -0.733 -6.309 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.208 -2.311 -7.606 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.479 -1.645 -6.158 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.378 -0.559 -10.506 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.314 0.687 -9.646 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.998 -0.940 -9.874 1.00 0.00 H new ATOM 18 N VAL A 2 14.427 0.888 -5.430 1.00 0.00 N ATOM 19 CA VAL A 2 13.548 0.943 -4.279 1.00 0.00 C ATOM 20 C VAL A 2 14.079 0.007 -3.200 1.00 0.00 C ATOM 21 O VAL A 2 14.249 -1.191 -3.428 1.00 0.00 O ATOM 22 CB VAL A 2 12.074 0.739 -4.674 1.00 0.00 C ATOM 23 CG1 VAL A 2 11.712 -0.685 -5.093 1.00 0.00 C ATOM 24 CG2 VAL A 2 11.127 1.202 -3.559 1.00 0.00 C ATOM 0 H VAL A 2 13.940 0.673 -6.300 1.00 0.00 H new ATOM 0 HA VAL A 2 13.551 1.942 -3.843 1.00 0.00 H new ATOM 0 HB VAL A 2 11.945 1.361 -5.560 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.654 -0.730 -5.353 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.310 -0.973 -5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 2 11.913 -1.369 -4.268 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.094 1.044 -3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 2 11.325 0.629 -2.653 1.00 0.00 H new ATOM 0 HG23 VAL A 2 11.288 2.262 -3.361 1.00 0.00 H new ATOM 34 N THR A 3 14.419 0.567 -2.041 1.00 0.00 N ATOM 35 CA THR A 3 15.172 -0.160 -1.039 1.00 0.00 C ATOM 36 C THR A 3 14.452 -0.057 0.308 1.00 0.00 C ATOM 37 O THR A 3 13.689 0.883 0.523 1.00 0.00 O ATOM 38 CB THR A 3 16.601 0.405 -0.978 1.00 0.00 C ATOM 39 OG1 THR A 3 16.742 1.670 -1.622 1.00 0.00 O ATOM 40 CG2 THR A 3 17.608 -0.534 -1.625 1.00 0.00 C ATOM 0 H THR A 3 14.181 1.524 -1.779 1.00 0.00 H new ATOM 0 HA THR A 3 15.241 -1.217 -1.296 1.00 0.00 H new ATOM 0 HB THR A 3 16.797 0.519 0.088 1.00 0.00 H new ATOM 0 HG1 THR A 3 16.638 1.558 -2.590 1.00 0.00 H new ATOM 0 HG21 THR A 3 18.605 -0.098 -1.561 1.00 0.00 H new ATOM 0 HG22 THR A 3 17.597 -1.493 -1.106 1.00 0.00 H new ATOM 0 HG23 THR A 3 17.344 -0.685 -2.672 1.00 0.00 H new ATOM 48 N PRO A 4 14.690 -0.986 1.243 1.00 0.00 N ATOM 49 CA PRO A 4 13.996 -1.011 2.523 1.00 0.00 C ATOM 50 C PRO A 4 14.303 0.233 3.360 1.00 0.00 C ATOM 51 O PRO A 4 13.403 0.879 3.894 1.00 0.00 O ATOM 52 CB PRO A 4 14.460 -2.301 3.204 1.00 0.00 C ATOM 53 CG PRO A 4 15.749 -2.681 2.495 1.00 0.00 C ATOM 54 CD PRO A 4 15.600 -2.108 1.103 1.00 0.00 C ATOM 0 HA PRO A 4 12.913 -0.997 2.398 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.627 -2.146 4.270 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.712 -3.088 3.110 1.00 0.00 H new ATOM 0 HG2 PRO A 4 16.619 -2.266 3.004 1.00 0.00 H new ATOM 0 HG3 PRO A 4 15.882 -3.762 2.467 1.00 0.00 H new ATOM 0 HD2 PRO A 4 16.563 -1.786 0.706 1.00 0.00 H new ATOM 0 HD3 PRO A 4 15.203 -2.852 0.412 1.00 0.00 H new ATOM 62 N GLU A 5 15.574 0.583 3.490 1.00 0.00 N ATOM 63 CA GLU A 5 16.021 1.654 4.376 1.00 0.00 C ATOM 64 C GLU A 5 15.578 3.053 3.926 1.00 0.00 C ATOM 65 O GLU A 5 15.619 3.997 4.718 1.00 0.00 O ATOM 66 CB GLU A 5 17.528 1.537 4.555 1.00 0.00 C ATOM 67 CG GLU A 5 17.915 0.885 5.885 1.00 0.00 C ATOM 68 CD GLU A 5 17.130 -0.392 6.226 1.00 0.00 C ATOM 69 OE1 GLU A 5 17.135 -1.358 5.431 1.00 0.00 O ATOM 70 OE2 GLU A 5 16.466 -0.429 7.287 1.00 0.00 O ATOM 0 H GLU A 5 16.332 0.130 2.980 1.00 0.00 H new ATOM 0 HA GLU A 5 15.533 1.529 5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.943 0.953 3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.975 2.530 4.498 1.00 0.00 H new ATOM 0 HG2 GLU A 5 18.978 0.646 5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 5 17.769 1.610 6.686 1.00 0.00 H new ATOM 77 N GLN A 6 15.085 3.185 2.696 1.00 0.00 N ATOM 78 CA GLN A 6 14.384 4.385 2.225 1.00 0.00 C ATOM 79 C GLN A 6 12.853 4.311 2.371 1.00 0.00 C ATOM 80 O GLN A 6 12.152 5.108 1.741 1.00 0.00 O ATOM 81 CB GLN A 6 14.838 4.753 0.805 1.00 0.00 C ATOM 82 CG GLN A 6 14.416 3.800 -0.300 1.00 0.00 C ATOM 83 CD GLN A 6 14.726 4.365 -1.682 1.00 0.00 C ATOM 84 OE1 GLN A 6 15.571 5.231 -1.888 1.00 0.00 O ATOM 85 NE2 GLN A 6 14.001 3.897 -2.674 1.00 0.00 N ATOM 0 H GLN A 6 15.160 2.455 1.988 1.00 0.00 H new ATOM 0 HA GLN A 6 14.672 5.201 2.888 1.00 0.00 H new ATOM 0 HB2 GLN A 6 14.453 5.745 0.568 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.926 4.824 0.800 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.929 2.846 -0.173 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.347 3.600 -0.220 1.00 0.00 H new ATOM 0 HE21 GLN A 6 13.300 3.177 -2.498 1.00 0.00 H new ATOM 0 HE22 GLN A 6 14.140 4.254 -3.620 1.00 0.00 H new ATOM 94 N LEU A 7 12.320 3.366 3.159 1.00 0.00 N ATOM 95 CA LEU A 7 10.879 3.126 3.315 1.00 0.00 C ATOM 96 C LEU A 7 10.468 3.063 4.779 1.00 0.00 C ATOM 97 O LEU A 7 9.509 3.723 5.152 1.00 0.00 O ATOM 98 CB LEU A 7 10.473 1.819 2.629 1.00 0.00 C ATOM 99 CG LEU A 7 10.642 1.865 1.098 1.00 0.00 C ATOM 100 CD1 LEU A 7 10.436 0.452 0.554 1.00 0.00 C ATOM 101 CD2 LEU A 7 9.694 2.860 0.408 1.00 0.00 C ATOM 0 H LEU A 7 12.892 2.733 3.718 1.00 0.00 H new ATOM 0 HA LEU A 7 10.367 3.967 2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.073 1.003 3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.433 1.598 2.868 1.00 0.00 H new ATOM 0 HG LEU A 7 11.647 2.224 0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.551 0.459 -0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 7 11.175 -0.218 0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.435 0.106 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.867 2.841 -0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.661 2.581 0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.882 3.864 0.788 1.00 0.00 H new ATOM 113 N GLN A 8 11.223 2.355 5.619 1.00 0.00 N ATOM 114 CA GLN A 8 10.990 2.082 7.047 1.00 0.00 C ATOM 115 C GLN A 8 10.818 3.276 8.000 1.00 0.00 C ATOM 116 O GLN A 8 10.689 3.105 9.214 1.00 0.00 O ATOM 117 CB GLN A 8 12.167 1.226 7.511 1.00 0.00 C ATOM 118 CG GLN A 8 11.816 -0.241 7.515 1.00 0.00 C ATOM 119 CD GLN A 8 11.533 -0.757 6.121 1.00 0.00 C ATOM 120 OE1 GLN A 8 10.452 -0.632 5.557 1.00 0.00 O ATOM 121 NE2 GLN A 8 12.531 -1.311 5.490 1.00 0.00 N ATOM 0 H GLN A 8 12.087 1.919 5.296 1.00 0.00 H new ATOM 0 HA GLN A 8 10.013 1.602 7.102 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.022 1.395 6.856 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.468 1.532 8.513 1.00 0.00 H new ATOM 0 HG2 GLN A 8 12.636 -0.809 7.953 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.943 -0.404 8.147 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.433 -1.417 5.955 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.410 -1.638 4.531 1.00 0.00 H new ATOM 130 N HIS A 9 10.846 4.475 7.451 1.00 0.00 N ATOM 131 CA HIS A 9 10.708 5.769 8.113 1.00 0.00 C ATOM 132 C HIS A 9 9.849 6.758 7.302 1.00 0.00 C ATOM 133 O HIS A 9 9.858 7.955 7.598 1.00 0.00 O ATOM 134 CB HIS A 9 12.122 6.323 8.366 1.00 0.00 C ATOM 135 CG HIS A 9 12.666 5.975 9.723 1.00 0.00 C ATOM 136 ND1 HIS A 9 12.563 6.770 10.841 1.00 0.00 N ATOM 137 CD2 HIS A 9 13.274 4.805 10.092 1.00 0.00 C ATOM 138 CE1 HIS A 9 13.071 6.086 11.876 1.00 0.00 C ATOM 139 NE2 HIS A 9 13.535 4.889 11.466 1.00 0.00 N ATOM 0 H HIS A 9 10.977 4.584 6.445 1.00 0.00 H new ATOM 0 HA HIS A 9 10.181 5.635 9.057 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.797 5.937 7.602 1.00 0.00 H new ATOM 0 HB3 HIS A 9 12.104 7.407 8.257 1.00 0.00 H new ATOM 0 HD2 HIS A 9 13.509 3.973 9.445 1.00 0.00 H new ATOM 0 HE1 HIS A 9 13.104 6.444 12.895 1.00 0.00 H new ATOM 0 HE2 HIS A 9 13.988 4.181 12.044 1.00 0.00 H new ATOM 147 N HIS A 10 9.165 6.305 6.248 1.00 0.00 N ATOM 148 CA HIS A 10 8.642 7.153 5.188 1.00 0.00 C ATOM 149 C HIS A 10 7.191 6.753 4.911 1.00 0.00 C ATOM 150 O HIS A 10 6.927 5.663 4.400 1.00 0.00 O ATOM 151 CB HIS A 10 9.529 7.035 3.933 1.00 0.00 C ATOM 152 CG HIS A 10 11.014 7.239 4.167 1.00 0.00 C ATOM 153 ND1 HIS A 10 11.753 8.351 3.838 1.00 0.00 N ATOM 154 CD2 HIS A 10 11.889 6.322 4.686 1.00 0.00 C ATOM 155 CE1 HIS A 10 13.036 8.098 4.150 1.00 0.00 C ATOM 156 NE2 HIS A 10 13.172 6.873 4.684 1.00 0.00 N ATOM 0 H HIS A 10 8.958 5.316 6.110 1.00 0.00 H new ATOM 0 HA HIS A 10 8.657 8.200 5.491 1.00 0.00 H new ATOM 0 HB2 HIS A 10 9.379 6.049 3.494 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.190 7.766 3.199 1.00 0.00 H new ATOM 0 HD2 HIS A 10 11.629 5.335 5.039 1.00 0.00 H new ATOM 0 HE1 HIS A 10 13.851 8.789 3.992 1.00 0.00 H new ATOM 0 HE2 HIS A 10 14.032 6.437 5.018 1.00 0.00 H new ATOM 164 N ARG A 11 6.240 7.620 5.264 1.00 0.00 N ATOM 165 CA ARG A 11 4.827 7.435 4.923 1.00 0.00 C ATOM 166 C ARG A 11 4.669 7.601 3.418 1.00 0.00 C ATOM 167 O ARG A 11 5.311 8.465 2.815 1.00 0.00 O ATOM 168 CB ARG A 11 3.990 8.485 5.669 1.00 0.00 C ATOM 169 CG ARG A 11 2.508 8.626 5.260 1.00 0.00 C ATOM 170 CD ARG A 11 2.010 9.988 5.748 1.00 0.00 C ATOM 171 NE ARG A 11 0.551 10.120 5.730 1.00 0.00 N ATOM 172 CZ ARG A 11 -0.196 10.970 5.023 1.00 0.00 C ATOM 173 NH1 ARG A 11 0.245 11.496 3.886 1.00 0.00 N ATOM 174 NH2 ARG A 11 -1.394 11.303 5.485 1.00 0.00 N ATOM 0 H ARG A 11 6.427 8.471 5.795 1.00 0.00 H new ATOM 0 HA ARG A 11 4.486 6.442 5.215 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.026 8.252 6.733 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.470 9.455 5.539 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.402 8.547 4.178 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.914 7.824 5.698 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.369 10.154 6.764 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.445 10.769 5.125 1.00 0.00 H new ATOM 0 HE ARG A 11 0.040 9.479 6.337 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.172 11.252 3.537 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.343 12.144 3.362 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.728 10.911 6.365 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.981 11.951 4.960 1.00 0.00 H new ATOM 188 N PHE A 12 3.727 6.860 2.845 1.00 0.00 N ATOM 189 CA PHE A 12 3.222 7.088 1.505 1.00 0.00 C ATOM 190 C PHE A 12 1.702 7.166 1.591 1.00 0.00 C ATOM 191 O PHE A 12 1.086 6.710 2.556 1.00 0.00 O ATOM 192 CB PHE A 12 3.704 5.958 0.582 1.00 0.00 C ATOM 193 CG PHE A 12 5.165 6.069 0.188 1.00 0.00 C ATOM 194 CD1 PHE A 12 6.187 5.709 1.089 1.00 0.00 C ATOM 195 CD2 PHE A 12 5.505 6.552 -1.086 1.00 0.00 C ATOM 196 CE1 PHE A 12 7.536 5.881 0.735 1.00 0.00 C ATOM 197 CE2 PHE A 12 6.857 6.706 -1.443 1.00 0.00 C ATOM 198 CZ PHE A 12 7.867 6.394 -0.529 1.00 0.00 C ATOM 0 H PHE A 12 3.287 6.068 3.313 1.00 0.00 H new ATOM 0 HA PHE A 12 3.594 8.022 1.083 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.543 5.002 1.080 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.093 5.954 -0.321 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.932 5.299 2.055 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.728 6.805 -1.792 1.00 0.00 H new ATOM 0 HE1 PHE A 12 8.317 5.619 1.434 1.00 0.00 H new ATOM 0 HE2 PHE A 12 7.115 7.067 -2.428 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.902 6.548 -0.795 1.00 0.00 H new ATOM 208 N VAL A 13 1.084 7.744 0.570 1.00 0.00 N ATOM 209 CA VAL A 13 -0.362 7.753 0.411 1.00 0.00 C ATOM 210 C VAL A 13 -0.684 7.327 -1.004 1.00 0.00 C ATOM 211 O VAL A 13 0.059 7.653 -1.931 1.00 0.00 O ATOM 212 CB VAL A 13 -0.966 9.112 0.793 1.00 0.00 C ATOM 213 CG1 VAL A 13 -0.359 10.251 -0.024 1.00 0.00 C ATOM 214 CG2 VAL A 13 -2.495 9.116 0.633 1.00 0.00 C ATOM 0 H VAL A 13 1.580 8.226 -0.180 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.823 7.043 1.098 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.725 9.274 1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.813 11.196 0.276 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.716 10.292 0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.547 10.079 -1.084 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.888 10.094 0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.753 8.904 -0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.930 8.353 1.278 1.00 0.00 H new ATOM 224 N LEU A 14 -1.770 6.574 -1.151 1.00 0.00 N ATOM 225 CA LEU A 14 -2.228 6.078 -2.424 1.00 0.00 C ATOM 226 C LEU A 14 -2.746 7.250 -3.218 1.00 0.00 C ATOM 227 O LEU A 14 -3.761 7.846 -2.861 1.00 0.00 O ATOM 228 CB LEU A 14 -3.283 4.992 -2.224 1.00 0.00 C ATOM 229 CG LEU A 14 -3.386 4.155 -3.498 1.00 0.00 C ATOM 230 CD1 LEU A 14 -3.970 2.779 -3.180 1.00 0.00 C ATOM 231 CD2 LEU A 14 -4.251 4.751 -4.589 1.00 0.00 C ATOM 0 H LEU A 14 -2.360 6.292 -0.368 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.414 5.611 -2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.015 4.358 -1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.248 5.443 -1.991 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.362 4.108 -3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.038 2.192 -4.096 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.324 2.266 -2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.964 2.896 -2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.261 4.084 -5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.268 4.879 -4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.848 5.720 -4.885 1.00 0.00 H new ATOM 243 N GLU A 15 -2.008 7.601 -4.264 1.00 0.00 N ATOM 244 CA GLU A 15 -2.253 8.828 -4.973 1.00 0.00 C ATOM 245 C GLU A 15 -3.320 8.617 -6.035 1.00 0.00 C ATOM 246 O GLU A 15 -4.212 9.448 -6.193 1.00 0.00 O ATOM 247 CB GLU A 15 -0.960 9.376 -5.590 1.00 0.00 C ATOM 248 CG GLU A 15 -1.061 10.901 -5.791 1.00 0.00 C ATOM 249 CD GLU A 15 -0.327 11.456 -7.016 1.00 0.00 C ATOM 250 OE1 GLU A 15 0.387 10.705 -7.716 1.00 0.00 O ATOM 251 OE2 GLU A 15 -0.336 12.699 -7.171 1.00 0.00 O ATOM 0 H GLU A 15 -1.236 7.045 -4.632 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.617 9.570 -4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.114 9.144 -4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.772 8.889 -6.547 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.114 11.171 -5.868 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.670 11.394 -4.901 1.00 0.00 H new ATOM 258 N SER A 16 -3.257 7.496 -6.754 1.00 0.00 N ATOM 259 CA SER A 16 -4.347 7.077 -7.610 1.00 0.00 C ATOM 260 C SER A 16 -4.311 5.563 -7.790 1.00 0.00 C ATOM 261 O SER A 16 -3.245 4.943 -7.869 1.00 0.00 O ATOM 262 CB SER A 16 -4.287 7.839 -8.941 1.00 0.00 C ATOM 263 OG SER A 16 -2.984 7.836 -9.500 1.00 0.00 O ATOM 0 H SER A 16 -2.455 6.865 -6.755 1.00 0.00 H new ATOM 0 HA SER A 16 -5.304 7.320 -7.148 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.985 7.389 -9.647 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.611 8.868 -8.784 1.00 0.00 H new ATOM 0 HG SER A 16 -2.990 8.330 -10.347 1.00 0.00 H new ATOM 269 N VAL A 17 -5.493 4.957 -7.837 1.00 0.00 N ATOM 270 CA VAL A 17 -5.665 3.573 -8.243 1.00 0.00 C ATOM 271 C VAL A 17 -5.518 3.531 -9.771 1.00 0.00 C ATOM 272 O VAL A 17 -5.437 4.586 -10.403 1.00 0.00 O ATOM 273 CB VAL A 17 -7.040 3.076 -7.743 1.00 0.00 C ATOM 274 CG1 VAL A 17 -7.199 1.567 -7.988 1.00 0.00 C ATOM 275 CG2 VAL A 17 -7.232 3.362 -6.241 1.00 0.00 C ATOM 0 H VAL A 17 -6.367 5.422 -7.591 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.919 2.906 -7.810 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.798 3.620 -8.306 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.175 1.241 -7.628 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.119 1.361 -9.055 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.416 1.027 -7.455 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.210 2.999 -5.924 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.454 2.854 -5.671 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.168 4.436 -6.064 1.00 0.00 H new ATOM 285 N ASN A 18 -5.538 2.335 -10.376 1.00 0.00 N ATOM 286 CA ASN A 18 -5.237 2.117 -11.784 1.00 0.00 C ATOM 287 C ASN A 18 -5.894 3.149 -12.690 1.00 0.00 C ATOM 288 O ASN A 18 -5.219 3.770 -13.509 1.00 0.00 O ATOM 289 CB ASN A 18 -5.684 0.712 -12.204 1.00 0.00 C ATOM 290 CG ASN A 18 -5.468 0.569 -13.703 1.00 0.00 C ATOM 291 OD1 ASN A 18 -4.357 0.286 -14.133 1.00 0.00 O ATOM 292 ND2 ASN A 18 -6.478 0.752 -14.530 1.00 0.00 N ATOM 0 H ASN A 18 -5.771 1.475 -9.880 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.158 2.220 -11.897 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.114 -0.045 -11.665 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.734 0.558 -11.955 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.337 0.658 -15.536 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.401 0.988 -14.164 1.00 0.00 H new ATOM 299 N GLY A 19 -7.197 3.328 -12.523 1.00 0.00 N ATOM 300 CA GLY A 19 -7.949 4.324 -13.249 1.00 0.00 C ATOM 301 C GLY A 19 -7.746 5.718 -12.664 1.00 0.00 C ATOM 302 O GLY A 19 -7.216 6.598 -13.346 1.00 0.00 O ATOM 0 H GLY A 19 -7.760 2.779 -11.874 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.644 4.320 -14.295 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.009 4.070 -13.225 1.00 0.00 H new ATOM 306 N LYS A 20 -8.214 5.951 -11.433 1.00 0.00 N ATOM 307 CA LYS A 20 -8.494 7.292 -10.921 1.00 0.00 C ATOM 308 C LYS A 20 -8.068 7.474 -9.461 1.00 0.00 C ATOM 309 O LYS A 20 -7.763 6.490 -8.782 1.00 0.00 O ATOM 310 CB LYS A 20 -9.993 7.592 -11.142 1.00 0.00 C ATOM 311 CG LYS A 20 -10.249 8.149 -12.554 1.00 0.00 C ATOM 312 CD LYS A 20 -11.194 9.361 -12.581 1.00 0.00 C ATOM 313 CE LYS A 20 -10.776 10.370 -13.658 1.00 0.00 C ATOM 314 NZ LYS A 20 -9.573 11.145 -13.284 1.00 0.00 N ATOM 0 H LYS A 20 -8.410 5.208 -10.762 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.894 8.016 -11.472 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.574 6.681 -10.997 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.336 8.310 -10.397 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.296 8.433 -13.001 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.669 7.358 -13.176 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.214 9.026 -12.770 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.194 9.847 -11.605 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.585 9.840 -14.591 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.601 11.057 -13.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.406 11.890 -13.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.717 11.580 -12.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.749 10.511 -13.248 1.00 0.00 H new ATOM 328 N PRO A 21 -8.007 8.735 -8.986 1.00 0.00 N ATOM 329 CA PRO A 21 -7.689 9.073 -7.605 1.00 0.00 C ATOM 330 C PRO A 21 -8.697 8.508 -6.598 1.00 0.00 C ATOM 331 O PRO A 21 -9.624 7.754 -6.923 1.00 0.00 O ATOM 332 CB PRO A 21 -7.583 10.607 -7.556 1.00 0.00 C ATOM 333 CG PRO A 21 -8.465 11.056 -8.707 1.00 0.00 C ATOM 334 CD PRO A 21 -8.200 9.971 -9.741 1.00 0.00 C ATOM 0 HA PRO A 21 -6.749 8.611 -7.303 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.933 11.004 -6.603 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.554 10.943 -7.683 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.516 11.103 -8.423 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.189 12.045 -9.072 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.037 9.879 -10.433 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.318 10.206 -10.337 1.00 0.00 H new ATOM 342 N VAL A 22 -8.452 8.865 -5.344 1.00 0.00 N ATOM 343 CA VAL A 22 -9.212 8.480 -4.173 1.00 0.00 C ATOM 344 C VAL A 22 -9.744 9.744 -3.477 1.00 0.00 C ATOM 345 O VAL A 22 -9.164 10.829 -3.589 1.00 0.00 O ATOM 346 CB VAL A 22 -8.278 7.635 -3.280 1.00 0.00 C ATOM 347 CG1 VAL A 22 -8.995 7.200 -1.999 1.00 0.00 C ATOM 348 CG2 VAL A 22 -7.745 6.404 -4.038 1.00 0.00 C ATOM 0 H VAL A 22 -7.666 9.470 -5.108 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.086 7.877 -4.421 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.428 8.261 -3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.317 6.606 -1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.310 8.082 -1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.869 6.602 -2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.090 5.829 -3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.582 5.781 -4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.185 6.731 -4.915 1.00 0.00 H new ATOM 358 N THR A 23 -10.837 9.621 -2.718 1.00 0.00 N ATOM 359 CA THR A 23 -11.292 10.673 -1.813 1.00 0.00 C ATOM 360 C THR A 23 -11.830 10.101 -0.500 1.00 0.00 C ATOM 361 O THR A 23 -12.848 9.406 -0.431 1.00 0.00 O ATOM 362 CB THR A 23 -12.244 11.649 -2.512 1.00 0.00 C ATOM 363 OG1 THR A 23 -12.557 12.695 -1.619 1.00 0.00 O ATOM 364 CG2 THR A 23 -13.542 11.033 -3.029 1.00 0.00 C ATOM 0 H THR A 23 -11.428 8.790 -2.716 1.00 0.00 H new ATOM 0 HA THR A 23 -10.427 11.271 -1.528 1.00 0.00 H new ATOM 0 HB THR A 23 -11.713 12.001 -3.396 1.00 0.00 H new ATOM 0 HG1 THR A 23 -13.165 13.327 -2.056 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.146 11.805 -3.507 1.00 0.00 H new ATOM 0 HG22 THR A 23 -13.311 10.253 -3.754 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.097 10.602 -2.196 1.00 0.00 H new ATOM 372 N SER A 24 -11.114 10.416 0.562 1.00 0.00 N ATOM 373 CA SER A 24 -11.453 10.153 1.949 1.00 0.00 C ATOM 374 C SER A 24 -10.634 11.159 2.754 1.00 0.00 C ATOM 375 O SER A 24 -9.450 10.937 3.020 1.00 0.00 O ATOM 376 CB SER A 24 -11.137 8.696 2.301 1.00 0.00 C ATOM 377 OG SER A 24 -11.376 8.417 3.671 1.00 0.00 O ATOM 0 H SER A 24 -10.218 10.896 0.473 1.00 0.00 H new ATOM 0 HA SER A 24 -12.515 10.274 2.165 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.745 8.034 1.685 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.094 8.484 2.064 1.00 0.00 H new ATOM 0 HG SER A 24 -10.757 7.721 3.976 1.00 0.00 H new ATOM 383 N ASP A 25 -11.221 12.300 3.096 1.00 0.00 N ATOM 384 CA ASP A 25 -10.573 13.414 3.799 1.00 0.00 C ATOM 385 C ASP A 25 -10.498 13.130 5.304 1.00 0.00 C ATOM 386 O ASP A 25 -10.740 14.002 6.143 1.00 0.00 O ATOM 387 CB ASP A 25 -11.313 14.726 3.490 1.00 0.00 C ATOM 388 CG ASP A 25 -10.731 15.393 2.249 1.00 0.00 C ATOM 389 OD1 ASP A 25 -10.988 14.906 1.127 1.00 0.00 O ATOM 390 OD2 ASP A 25 -9.969 16.374 2.389 1.00 0.00 O ATOM 0 H ASP A 25 -12.201 12.487 2.885 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.548 13.521 3.445 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.373 14.524 3.337 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.237 15.402 4.342 1.00 0.00 H new ATOM 395 N LYS A 26 -10.223 11.884 5.690 1.00 0.00 N ATOM 396 CA LYS A 26 -10.092 11.524 7.099 1.00 0.00 C ATOM 397 C LYS A 26 -9.155 10.360 7.302 1.00 0.00 C ATOM 398 O LYS A 26 -8.257 10.411 8.135 1.00 0.00 O ATOM 399 CB LYS A 26 -11.482 11.172 7.642 1.00 0.00 C ATOM 400 CG LYS A 26 -11.420 11.015 9.163 1.00 0.00 C ATOM 401 CD LYS A 26 -12.718 10.436 9.718 1.00 0.00 C ATOM 402 CE LYS A 26 -12.911 8.962 9.326 1.00 0.00 C ATOM 403 NZ LYS A 26 -14.243 8.457 9.703 1.00 0.00 N ATOM 0 H LYS A 26 -10.087 11.107 5.044 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.670 12.374 7.635 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.195 11.953 7.377 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.837 10.248 7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.587 10.364 9.429 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.227 11.984 9.622 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.718 10.524 10.804 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.561 11.021 9.351 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.774 8.853 8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.144 8.356 9.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.329 7.460 9.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.366 8.536 10.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.976 9.018 9.223 1.00 0.00 H new ATOM 417 N ASN A 27 -9.351 9.340 6.489 1.00 0.00 N ATOM 418 CA ASN A 27 -8.532 8.142 6.450 1.00 0.00 C ATOM 419 C ASN A 27 -8.592 7.616 5.019 1.00 0.00 C ATOM 420 O ASN A 27 -9.459 6.804 4.686 1.00 0.00 O ATOM 421 CB ASN A 27 -8.872 7.109 7.551 1.00 0.00 C ATOM 422 CG ASN A 27 -10.237 6.420 7.550 1.00 0.00 C ATOM 423 OD1 ASN A 27 -10.355 5.307 8.058 1.00 0.00 O ATOM 424 ND2 ASN A 27 -11.308 7.055 7.097 1.00 0.00 N ATOM 0 H ASN A 27 -10.113 9.322 5.812 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.498 8.377 6.701 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.113 6.328 7.509 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.761 7.610 8.513 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -12.228 6.620 7.170 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.213 7.979 6.675 1.00 0.00 H new ATOM 431 N PRO A 28 -7.757 8.161 4.120 1.00 0.00 N ATOM 432 CA PRO A 28 -7.537 7.570 2.810 1.00 0.00 C ATOM 433 C PRO A 28 -6.725 6.276 2.968 1.00 0.00 C ATOM 434 O PRO A 28 -6.208 6.011 4.058 1.00 0.00 O ATOM 435 CB PRO A 28 -6.780 8.647 2.022 1.00 0.00 C ATOM 436 CG PRO A 28 -5.943 9.317 3.102 1.00 0.00 C ATOM 437 CD PRO A 28 -6.837 9.274 4.334 1.00 0.00 C ATOM 0 HA PRO A 28 -8.455 7.290 2.293 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.159 8.215 1.237 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.459 9.350 1.540 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.006 8.786 3.269 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.685 10.341 2.831 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.248 9.126 5.239 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.379 10.212 4.456 1.00 0.00 H new ATOM 445 N PRO A 29 -6.576 5.479 1.898 1.00 0.00 N ATOM 446 CA PRO A 29 -5.722 4.299 1.872 1.00 0.00 C ATOM 447 C PRO A 29 -4.240 4.691 1.887 1.00 0.00 C ATOM 448 O PRO A 29 -3.492 4.389 0.958 1.00 0.00 O ATOM 449 CB PRO A 29 -6.124 3.558 0.585 1.00 0.00 C ATOM 450 CG PRO A 29 -6.740 4.612 -0.319 1.00 0.00 C ATOM 451 CD PRO A 29 -7.310 5.622 0.656 1.00 0.00 C ATOM 0 HA PRO A 29 -5.851 3.665 2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.258 3.095 0.113 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.836 2.760 0.798 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.996 5.063 -0.975 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.515 4.190 -0.959 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.210 6.634 0.264 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.374 5.446 0.815 1.00 0.00 H new ATOM 459 N GLU A 30 -3.758 5.324 2.952 1.00 0.00 N ATOM 460 CA GLU A 30 -2.333 5.587 3.108 1.00 0.00 C ATOM 461 C GLU A 30 -1.631 4.304 3.582 1.00 0.00 C ATOM 462 O GLU A 30 -2.306 3.317 3.905 1.00 0.00 O ATOM 463 CB GLU A 30 -2.123 6.832 3.980 1.00 0.00 C ATOM 464 CG GLU A 30 -2.036 6.562 5.485 1.00 0.00 C ATOM 465 CD GLU A 30 -2.595 7.707 6.336 1.00 0.00 C ATOM 466 OE1 GLU A 30 -2.611 8.885 5.903 1.00 0.00 O ATOM 467 OE2 GLU A 30 -3.116 7.407 7.433 1.00 0.00 O ATOM 0 H GLU A 30 -4.335 5.665 3.721 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.859 5.838 2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.207 7.329 3.662 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.943 7.527 3.798 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.581 5.647 5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.995 6.390 5.757 1.00 0.00 H new ATOM 474 N ILE A 31 -0.302 4.271 3.567 1.00 0.00 N ATOM 475 CA ILE A 31 0.485 3.101 3.933 1.00 0.00 C ATOM 476 C ILE A 31 1.744 3.594 4.645 1.00 0.00 C ATOM 477 O ILE A 31 2.216 4.712 4.404 1.00 0.00 O ATOM 478 CB ILE A 31 0.753 2.242 2.667 1.00 0.00 C ATOM 479 CG1 ILE A 31 1.154 0.800 3.029 1.00 0.00 C ATOM 480 CG2 ILE A 31 1.772 2.893 1.709 1.00 0.00 C ATOM 481 CD1 ILE A 31 1.181 -0.138 1.818 1.00 0.00 C ATOM 0 H ILE A 31 0.268 5.072 3.295 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.040 2.442 4.624 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.192 2.193 2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.139 0.809 3.496 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.455 0.409 3.768 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.920 2.248 0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.395 3.862 1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.722 3.029 2.226 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.471 -1.139 2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.191 -0.175 1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.901 0.231 1.088 1.00 0.00 H new ATOM 493 N SER A 32 2.299 2.770 5.521 1.00 0.00 N ATOM 494 CA SER A 32 3.511 3.076 6.244 1.00 0.00 C ATOM 495 C SER A 32 4.296 1.790 6.483 1.00 0.00 C ATOM 496 O SER A 32 3.802 0.679 6.266 1.00 0.00 O ATOM 497 CB SER A 32 3.162 3.847 7.521 1.00 0.00 C ATOM 498 OG SER A 32 2.205 3.187 8.329 1.00 0.00 O ATOM 0 H SER A 32 1.908 1.856 5.749 1.00 0.00 H new ATOM 0 HA SER A 32 4.165 3.728 5.665 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.071 4.005 8.102 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.782 4.832 7.250 1.00 0.00 H new ATOM 0 HG SER A 32 2.025 3.725 9.128 1.00 0.00 H new ATOM 504 N PHE A 33 5.553 1.959 6.872 1.00 0.00 N ATOM 505 CA PHE A 33 6.545 0.910 6.925 1.00 0.00 C ATOM 506 C PHE A 33 7.438 1.248 8.118 1.00 0.00 C ATOM 507 O PHE A 33 7.965 2.362 8.169 1.00 0.00 O ATOM 508 CB PHE A 33 7.341 0.926 5.602 1.00 0.00 C ATOM 509 CG PHE A 33 6.553 0.747 4.311 1.00 0.00 C ATOM 510 CD1 PHE A 33 6.049 -0.521 3.978 1.00 0.00 C ATOM 511 CD2 PHE A 33 6.357 1.819 3.416 1.00 0.00 C ATOM 512 CE1 PHE A 33 5.352 -0.727 2.779 1.00 0.00 C ATOM 513 CE2 PHE A 33 5.664 1.612 2.204 1.00 0.00 C ATOM 514 CZ PHE A 33 5.159 0.335 1.884 1.00 0.00 C ATOM 0 H PHE A 33 5.916 2.865 7.168 1.00 0.00 H new ATOM 0 HA PHE A 33 6.116 -0.085 7.042 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.876 1.874 5.542 1.00 0.00 H new ATOM 0 HB3 PHE A 33 8.092 0.138 5.651 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.200 -1.349 4.655 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.738 2.800 3.658 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.963 -1.707 2.544 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.520 2.435 1.519 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.628 0.176 0.957 1.00 0.00 H new ATOM 524 N GLY A 34 7.624 0.333 9.065 1.00 0.00 N ATOM 525 CA GLY A 34 8.721 0.341 10.022 1.00 0.00 C ATOM 526 C GLY A 34 8.967 -1.080 10.534 1.00 0.00 C ATOM 527 O GLY A 34 8.102 -1.939 10.393 1.00 0.00 O ATOM 0 H GLY A 34 6.994 -0.459 9.190 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.624 0.730 9.552 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.485 1.003 10.855 1.00 0.00 H new ATOM 531 N GLU A 35 10.096 -1.302 11.212 1.00 0.00 N ATOM 532 CA GLU A 35 10.438 -2.500 11.988 1.00 0.00 C ATOM 533 C GLU A 35 10.378 -3.803 11.178 1.00 0.00 C ATOM 534 O GLU A 35 9.369 -4.500 11.177 1.00 0.00 O ATOM 535 CB GLU A 35 9.597 -2.538 13.282 1.00 0.00 C ATOM 536 CG GLU A 35 10.155 -1.541 14.306 1.00 0.00 C ATOM 537 CD GLU A 35 9.074 -0.805 15.105 1.00 0.00 C ATOM 538 OE1 GLU A 35 8.463 0.152 14.576 1.00 0.00 O ATOM 539 OE2 GLU A 35 8.902 -1.094 16.311 1.00 0.00 O ATOM 0 H GLU A 35 10.843 -0.608 11.236 1.00 0.00 H new ATOM 0 HA GLU A 35 11.489 -2.427 12.268 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.558 -2.296 13.057 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.606 -3.544 13.701 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.807 -2.073 14.999 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.772 -0.808 13.786 1.00 0.00 H new ATOM 546 N LYS A 36 11.504 -4.172 10.556 1.00 0.00 N ATOM 547 CA LYS A 36 11.740 -5.407 9.786 1.00 0.00 C ATOM 548 C LYS A 36 11.059 -5.403 8.418 1.00 0.00 C ATOM 549 O LYS A 36 10.661 -6.467 7.931 1.00 0.00 O ATOM 550 CB LYS A 36 11.376 -6.690 10.559 1.00 0.00 C ATOM 551 CG LYS A 36 11.965 -6.788 11.970 1.00 0.00 C ATOM 552 CD LYS A 36 11.691 -8.170 12.569 1.00 0.00 C ATOM 553 CE LYS A 36 10.191 -8.443 12.726 1.00 0.00 C ATOM 554 NZ LYS A 36 9.951 -9.776 13.297 1.00 0.00 N ATOM 0 H LYS A 36 12.333 -3.578 10.576 1.00 0.00 H new ATOM 0 HA LYS A 36 12.817 -5.417 9.622 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.290 -6.757 10.630 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.712 -7.551 9.981 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.039 -6.606 11.936 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.531 -6.017 12.606 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.134 -8.935 11.931 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.177 -8.246 13.542 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.746 -7.684 13.369 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.701 -8.367 11.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.927 -9.934 13.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.356 -10.500 12.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.399 -9.838 14.233 1.00 0.00 H new ATOM 568 N MET A 37 10.921 -4.248 7.768 1.00 0.00 N ATOM 569 CA MET A 37 10.232 -4.114 6.489 1.00 0.00 C ATOM 570 C MET A 37 8.772 -4.587 6.619 1.00 0.00 C ATOM 571 O MET A 37 8.204 -5.152 5.691 1.00 0.00 O ATOM 572 CB MET A 37 11.055 -4.799 5.382 1.00 0.00 C ATOM 573 CG MET A 37 11.035 -4.067 4.038 1.00 0.00 C ATOM 574 SD MET A 37 9.615 -4.325 2.946 1.00 0.00 S ATOM 575 CE MET A 37 8.530 -2.976 3.470 1.00 0.00 C ATOM 0 H MET A 37 11.291 -3.366 8.123 1.00 0.00 H new ATOM 0 HA MET A 37 10.159 -3.069 6.189 1.00 0.00 H new ATOM 0 HB2 MET A 37 12.088 -4.890 5.717 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.676 -5.811 5.237 1.00 0.00 H new ATOM 0 HG2 MET A 37 11.110 -2.998 4.239 1.00 0.00 H new ATOM 0 HG3 MET A 37 11.933 -4.352 3.490 1.00 0.00 H new ATOM 0 HE1 MET A 37 7.577 -3.385 3.806 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.999 -2.429 4.288 1.00 0.00 H new ATOM 0 HE3 MET A 37 8.360 -2.300 2.632 1.00 0.00 H new ATOM 585 N MET A 38 8.146 -4.376 7.780 1.00 0.00 N ATOM 586 CA MET A 38 6.721 -4.589 7.971 1.00 0.00 C ATOM 587 C MET A 38 5.900 -3.577 7.169 1.00 0.00 C ATOM 588 O MET A 38 6.449 -2.631 6.600 1.00 0.00 O ATOM 589 CB MET A 38 6.392 -4.494 9.467 1.00 0.00 C ATOM 590 CG MET A 38 5.711 -5.770 9.965 1.00 0.00 C ATOM 591 SD MET A 38 4.271 -5.539 11.045 1.00 0.00 S ATOM 592 CE MET A 38 3.138 -4.606 9.989 1.00 0.00 C ATOM 0 H MET A 38 8.625 -4.049 8.619 1.00 0.00 H new ATOM 0 HA MET A 38 6.459 -5.582 7.606 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.307 -4.322 10.033 1.00 0.00 H new ATOM 0 HB3 MET A 38 5.741 -3.638 9.645 1.00 0.00 H new ATOM 0 HG2 MET A 38 5.399 -6.353 9.098 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.450 -6.366 10.501 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.232 -4.370 10.547 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.618 -3.681 9.669 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.881 -5.203 9.114 1.00 0.00 H new ATOM 602 N ILE A 39 4.582 -3.780 7.121 1.00 0.00 N ATOM 603 CA ILE A 39 3.653 -2.968 6.349 1.00 0.00 C ATOM 604 C ILE A 39 2.420 -2.711 7.211 1.00 0.00 C ATOM 605 O ILE A 39 1.637 -3.642 7.425 1.00 0.00 O ATOM 606 CB ILE A 39 3.277 -3.696 5.035 1.00 0.00 C ATOM 607 CG1 ILE A 39 4.507 -4.226 4.265 1.00 0.00 C ATOM 608 CG2 ILE A 39 2.387 -2.792 4.159 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.149 -4.968 2.977 1.00 0.00 C ATOM 0 H ILE A 39 4.124 -4.534 7.633 1.00 0.00 H new ATOM 0 HA ILE A 39 4.109 -2.017 6.076 1.00 0.00 H new ATOM 0 HB ILE A 39 2.703 -4.582 5.306 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.162 -3.389 4.022 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.072 -4.895 4.915 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.130 -3.316 3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.475 -2.544 4.702 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.926 -1.876 3.917 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.061 -5.312 2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.519 -5.825 3.214 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.611 -4.297 2.308 1.00 0.00 H new ATOM 621 N SER A 40 2.223 -1.481 7.678 1.00 0.00 N ATOM 622 CA SER A 40 0.922 -0.980 8.111 1.00 0.00 C ATOM 623 C SER A 40 0.211 -0.339 6.916 1.00 0.00 C ATOM 624 O SER A 40 0.817 0.434 6.179 1.00 0.00 O ATOM 625 CB SER A 40 1.113 0.094 9.185 1.00 0.00 C ATOM 626 OG SER A 40 1.521 -0.445 10.427 1.00 0.00 O ATOM 0 H SER A 40 2.973 -0.795 7.767 1.00 0.00 H new ATOM 0 HA SER A 40 0.335 -1.807 8.511 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.856 0.815 8.844 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.178 0.639 9.319 1.00 0.00 H new ATOM 0 HG SER A 40 1.631 0.279 11.078 1.00 0.00 H new ATOM 632 N GLY A 41 -1.091 -0.574 6.748 1.00 0.00 N ATOM 633 CA GLY A 41 -1.925 0.219 5.848 1.00 0.00 C ATOM 634 C GLY A 41 -3.397 0.053 6.209 1.00 0.00 C ATOM 635 O GLY A 41 -3.722 -0.638 7.179 1.00 0.00 O ATOM 0 H GLY A 41 -1.595 -1.318 7.231 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.644 1.270 5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.759 -0.093 4.817 1.00 0.00 H new ATOM 639 N SER A 42 -4.312 0.694 5.485 1.00 0.00 N ATOM 640 CA SER A 42 -5.737 0.492 5.693 1.00 0.00 C ATOM 641 C SER A 42 -6.542 0.935 4.475 1.00 0.00 C ATOM 642 O SER A 42 -6.926 2.099 4.377 1.00 0.00 O ATOM 643 CB SER A 42 -6.210 1.131 7.016 1.00 0.00 C ATOM 644 OG SER A 42 -5.584 2.334 7.409 1.00 0.00 O ATOM 0 H SER A 42 -4.086 1.360 4.746 1.00 0.00 H new ATOM 0 HA SER A 42 -5.922 -0.577 5.800 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.281 1.317 6.938 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.070 0.401 7.813 1.00 0.00 H new ATOM 0 HG SER A 42 -5.968 2.641 8.257 1.00 0.00 H new ATOM 650 N MET A 43 -6.823 0.002 3.560 1.00 0.00 N ATOM 651 CA MET A 43 -7.667 0.257 2.396 1.00 0.00 C ATOM 652 C MET A 43 -9.087 0.573 2.856 1.00 0.00 C ATOM 653 O MET A 43 -9.547 1.712 2.764 1.00 0.00 O ATOM 654 CB MET A 43 -7.631 -0.936 1.424 1.00 0.00 C ATOM 655 CG MET A 43 -6.282 -1.092 0.718 1.00 0.00 C ATOM 656 SD MET A 43 -5.802 0.359 -0.245 1.00 0.00 S ATOM 657 CE MET A 43 -4.716 -0.409 -1.461 1.00 0.00 C ATOM 0 H MET A 43 -6.469 -0.953 3.609 1.00 0.00 H new ATOM 0 HA MET A 43 -7.284 1.121 1.853 1.00 0.00 H new ATOM 0 HB2 MET A 43 -7.856 -1.851 1.972 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.414 -0.812 0.676 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.512 -1.295 1.463 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.324 -1.959 0.058 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.516 0.297 -2.267 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.777 -0.691 -0.984 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.197 -1.298 -1.868 1.00 0.00 H new ATOM 667 N CYS A 44 -9.753 -0.426 3.428 1.00 0.00 N ATOM 668 CA CYS A 44 -11.008 -0.284 4.144 1.00 0.00 C ATOM 669 C CYS A 44 -10.849 -1.053 5.448 1.00 0.00 C ATOM 670 O CYS A 44 -10.869 -0.491 6.547 1.00 0.00 O ATOM 671 CB CYS A 44 -12.165 -0.816 3.276 1.00 0.00 C ATOM 672 SG CYS A 44 -13.800 -0.808 4.051 1.00 0.00 S ATOM 0 H CYS A 44 -9.418 -1.389 3.402 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.247 0.757 4.363 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.213 -0.221 2.364 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.930 -1.838 2.978 1.00 0.00 H new ATOM 677 N ASN A 45 -10.588 -2.347 5.299 1.00 0.00 N ATOM 678 CA ASN A 45 -10.662 -3.413 6.294 1.00 0.00 C ATOM 679 C ASN A 45 -9.435 -3.445 7.188 1.00 0.00 C ATOM 680 O ASN A 45 -9.016 -4.485 7.682 1.00 0.00 O ATOM 681 CB ASN A 45 -10.856 -4.753 5.572 1.00 0.00 C ATOM 682 CG ASN A 45 -11.993 -4.679 4.568 1.00 0.00 C ATOM 683 OD1 ASN A 45 -11.910 -3.970 3.577 1.00 0.00 O ATOM 684 ND2 ASN A 45 -13.153 -5.229 4.812 1.00 0.00 N ATOM 0 H ASN A 45 -10.291 -2.711 4.394 1.00 0.00 H new ATOM 0 HA ASN A 45 -11.513 -3.222 6.948 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -9.934 -5.030 5.061 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.063 -5.535 6.302 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -13.940 -5.058 4.186 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -13.271 -5.829 5.628 1.00 0.00 H new ATOM 691 N ARG A 46 -8.804 -2.291 7.361 1.00 0.00 N ATOM 692 CA ARG A 46 -7.413 -2.159 7.754 1.00 0.00 C ATOM 693 C ARG A 46 -6.568 -3.003 6.796 1.00 0.00 C ATOM 694 O ARG A 46 -7.038 -3.262 5.689 1.00 0.00 O ATOM 695 CB ARG A 46 -7.277 -2.429 9.266 1.00 0.00 C ATOM 696 CG ARG A 46 -7.480 -1.153 10.098 1.00 0.00 C ATOM 697 CD ARG A 46 -8.738 -0.299 9.818 1.00 0.00 C ATOM 698 NE ARG A 46 -8.418 1.137 9.796 1.00 0.00 N ATOM 699 CZ ARG A 46 -9.066 2.100 9.124 1.00 0.00 C ATOM 700 NH1 ARG A 46 -10.048 1.814 8.270 1.00 0.00 N ATOM 701 NH2 ARG A 46 -8.719 3.364 9.324 1.00 0.00 N ATOM 0 H ARG A 46 -9.266 -1.391 7.226 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.019 -1.148 7.650 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.008 -3.179 9.568 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.291 -2.844 9.473 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.497 -1.439 11.150 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.606 -0.518 9.955 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.173 -0.591 8.862 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.490 -0.494 10.583 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.616 1.432 10.353 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.323 0.844 8.115 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.525 2.565 7.771 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.971 3.590 9.980 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.200 4.110 8.822 1.00 0.00 H new ATOM 715 N PHE A 47 -5.306 -3.256 7.130 1.00 0.00 N ATOM 716 CA PHE A 47 -4.495 -4.434 6.843 1.00 0.00 C ATOM 717 C PHE A 47 -3.125 -4.232 7.488 1.00 0.00 C ATOM 718 O PHE A 47 -2.815 -3.181 8.063 1.00 0.00 O ATOM 719 CB PHE A 47 -4.457 -4.787 5.335 1.00 0.00 C ATOM 720 CG PHE A 47 -3.488 -4.060 4.468 1.00 0.00 C ATOM 721 CD1 PHE A 47 -3.717 -2.717 4.162 1.00 0.00 C ATOM 722 CD2 PHE A 47 -2.424 -4.771 3.898 1.00 0.00 C ATOM 723 CE1 PHE A 47 -2.809 -2.038 3.333 1.00 0.00 C ATOM 724 CE2 PHE A 47 -1.493 -4.084 3.098 1.00 0.00 C ATOM 725 CZ PHE A 47 -1.676 -2.711 2.837 1.00 0.00 C ATOM 0 H PHE A 47 -4.772 -2.570 7.663 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.950 -5.321 7.284 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.248 -5.853 5.247 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.455 -4.624 4.929 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.582 -2.206 4.558 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.320 -5.832 4.070 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.979 -1.003 3.077 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.642 -4.606 2.686 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.944 -2.173 2.254 1.00 0.00 H new ATOM 735 N SER A 48 -2.332 -5.290 7.492 1.00 0.00 N ATOM 736 CA SER A 48 -0.979 -5.343 8.007 1.00 0.00 C ATOM 737 C SER A 48 -0.315 -6.623 7.510 1.00 0.00 C ATOM 738 O SER A 48 -1.035 -7.562 7.167 1.00 0.00 O ATOM 739 CB SER A 48 -1.001 -5.318 9.539 1.00 0.00 C ATOM 740 OG SER A 48 -2.132 -5.983 10.106 1.00 0.00 O ATOM 0 H SER A 48 -2.636 -6.187 7.113 1.00 0.00 H new ATOM 0 HA SER A 48 -0.415 -4.478 7.657 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.090 -5.784 9.915 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.992 -4.282 9.877 1.00 0.00 H new ATOM 0 HG SER A 48 -2.085 -5.932 11.084 1.00 0.00 H new ATOM 746 N GLY A 49 1.014 -6.713 7.518 1.00 0.00 N ATOM 747 CA GLY A 49 1.674 -8.004 7.407 1.00 0.00 C ATOM 748 C GLY A 49 3.183 -7.836 7.387 1.00 0.00 C ATOM 749 O GLY A 49 3.675 -6.728 7.153 1.00 0.00 O ATOM 0 H GLY A 49 1.645 -5.916 7.599 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.385 -8.639 8.245 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.347 -8.508 6.497 1.00 0.00 H new ATOM 753 N GLU A 50 3.909 -8.925 7.637 1.00 0.00 N ATOM 754 CA GLU A 50 5.353 -8.973 7.525 1.00 0.00 C ATOM 755 C GLU A 50 5.735 -8.851 6.050 1.00 0.00 C ATOM 756 O GLU A 50 5.624 -9.793 5.267 1.00 0.00 O ATOM 757 CB GLU A 50 5.930 -10.217 8.217 1.00 0.00 C ATOM 758 CG GLU A 50 5.377 -11.557 7.723 1.00 0.00 C ATOM 759 CD GLU A 50 6.037 -12.717 8.459 1.00 0.00 C ATOM 760 OE1 GLU A 50 7.100 -13.200 8.008 1.00 0.00 O ATOM 761 OE2 GLU A 50 5.515 -13.151 9.510 1.00 0.00 O ATOM 0 H GLU A 50 3.496 -9.811 7.928 1.00 0.00 H new ATOM 0 HA GLU A 50 5.801 -8.131 8.053 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.012 -10.218 8.083 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.741 -10.137 9.288 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.298 -11.589 7.876 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.550 -11.654 6.651 1.00 0.00 H new ATOM 768 N GLY A 51 6.131 -7.651 5.662 1.00 0.00 N ATOM 769 CA GLY A 51 6.705 -7.361 4.357 1.00 0.00 C ATOM 770 C GLY A 51 8.164 -7.809 4.263 1.00 0.00 C ATOM 771 O GLY A 51 8.784 -8.173 5.272 1.00 0.00 O ATOM 0 H GLY A 51 6.061 -6.829 6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.121 -7.861 3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.641 -6.291 4.162 1.00 0.00 H new ATOM 775 N LYS A 52 8.741 -7.745 3.060 1.00 0.00 N ATOM 776 CA LYS A 52 10.180 -7.854 2.814 1.00 0.00 C ATOM 777 C LYS A 52 10.485 -7.177 1.479 1.00 0.00 C ATOM 778 O LYS A 52 9.649 -7.228 0.576 1.00 0.00 O ATOM 779 CB LYS A 52 10.607 -9.336 2.805 1.00 0.00 C ATOM 780 CG LYS A 52 12.127 -9.487 2.614 1.00 0.00 C ATOM 781 CD LYS A 52 12.699 -10.852 3.019 1.00 0.00 C ATOM 782 CE LYS A 52 12.495 -12.004 2.024 1.00 0.00 C ATOM 783 NZ LYS A 52 11.084 -12.407 1.867 1.00 0.00 N ATOM 0 H LYS A 52 8.202 -7.612 2.204 1.00 0.00 H new ATOM 0 HA LYS A 52 10.744 -7.361 3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.309 -9.807 3.742 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.085 -9.861 2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.366 -9.306 1.566 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.630 -8.713 3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.769 -10.736 3.191 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.252 -11.140 3.971 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.890 -11.708 1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.075 -12.865 2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.039 -13.392 1.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.596 -12.328 2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.621 -11.786 1.173 1.00 0.00 H new ATOM 797 N LEU A 53 11.678 -6.590 1.333 1.00 0.00 N ATOM 798 CA LEU A 53 12.163 -6.001 0.089 1.00 0.00 C ATOM 799 C LEU A 53 13.678 -6.150 0.023 1.00 0.00 C ATOM 800 O LEU A 53 14.353 -5.991 1.039 1.00 0.00 O ATOM 801 CB LEU A 53 11.786 -4.512 0.038 1.00 0.00 C ATOM 802 CG LEU A 53 12.309 -3.763 -1.205 1.00 0.00 C ATOM 803 CD1 LEU A 53 11.844 -4.408 -2.517 1.00 0.00 C ATOM 804 CD2 LEU A 53 11.777 -2.336 -1.153 1.00 0.00 C ATOM 0 H LEU A 53 12.347 -6.512 2.099 1.00 0.00 H new ATOM 0 HA LEU A 53 11.708 -6.512 -0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.700 -4.424 0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.172 -4.021 0.932 1.00 0.00 H new ATOM 0 HG LEU A 53 13.398 -3.796 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.239 -3.842 -3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.207 -5.435 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.755 -4.406 -2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.133 -1.783 -2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.687 -2.354 -1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.130 -1.849 -0.244 1.00 0.00 H new ATOM 816 N SER A 54 14.207 -6.409 -1.172 1.00 0.00 N ATOM 817 CA SER A 54 15.629 -6.456 -1.471 1.00 0.00 C ATOM 818 C SER A 54 15.802 -6.184 -2.972 1.00 0.00 C ATOM 819 O SER A 54 16.405 -5.186 -3.366 1.00 0.00 O ATOM 820 CB SER A 54 16.145 -7.831 -1.027 1.00 0.00 C ATOM 821 OG SER A 54 17.547 -7.947 -1.105 1.00 0.00 O ATOM 0 H SER A 54 13.628 -6.599 -1.990 1.00 0.00 H new ATOM 0 HA SER A 54 16.210 -5.702 -0.941 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.828 -8.018 -0.001 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.688 -8.602 -1.647 1.00 0.00 H new ATOM 0 HG SER A 54 17.818 -8.841 -0.809 1.00 0.00 H new ATOM 827 N ASN A 55 15.239 -7.055 -3.815 1.00 0.00 N ATOM 828 CA ASN A 55 15.246 -6.957 -5.276 1.00 0.00 C ATOM 829 C ASN A 55 14.464 -5.755 -5.797 1.00 0.00 C ATOM 830 O ASN A 55 15.012 -4.912 -6.509 1.00 0.00 O ATOM 831 CB ASN A 55 14.774 -8.272 -5.938 1.00 0.00 C ATOM 832 CG ASN A 55 13.376 -8.741 -5.534 1.00 0.00 C ATOM 833 OD1 ASN A 55 12.938 -8.500 -4.409 1.00 0.00 O ATOM 834 ND2 ASN A 55 12.661 -9.440 -6.390 1.00 0.00 N ATOM 0 H ASN A 55 14.745 -7.883 -3.482 1.00 0.00 H new ATOM 0 HA ASN A 55 16.284 -6.793 -5.564 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.798 -8.144 -7.020 1.00 0.00 H new ATOM 0 HB3 ASN A 55 15.488 -9.059 -5.694 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.739 -9.785 -6.123 1.00 0.00 H new ATOM 0 HD22 ASN A 55 13.029 -9.637 -7.321 1.00 0.00 H new ATOM 841 N GLY A 56 13.184 -5.694 -5.461 1.00 0.00 N ATOM 842 CA GLY A 56 12.216 -4.834 -6.132 1.00 0.00 C ATOM 843 C GLY A 56 10.804 -5.419 -6.085 1.00 0.00 C ATOM 844 O GLY A 56 9.930 -4.982 -6.824 1.00 0.00 O ATOM 0 H GLY A 56 12.781 -6.247 -4.705 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.217 -3.851 -5.662 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.515 -4.692 -7.170 1.00 0.00 H new ATOM 848 N GLU A 57 10.565 -6.424 -5.237 1.00 0.00 N ATOM 849 CA GLU A 57 9.288 -7.122 -5.168 1.00 0.00 C ATOM 850 C GLU A 57 8.850 -7.225 -3.703 1.00 0.00 C ATOM 851 O GLU A 57 9.538 -7.868 -2.906 1.00 0.00 O ATOM 852 CB GLU A 57 9.466 -8.493 -5.817 1.00 0.00 C ATOM 853 CG GLU A 57 8.175 -9.310 -5.903 1.00 0.00 C ATOM 854 CD GLU A 57 8.500 -10.773 -6.204 1.00 0.00 C ATOM 855 OE1 GLU A 57 9.248 -11.382 -5.401 1.00 0.00 O ATOM 856 OE2 GLU A 57 8.057 -11.321 -7.235 1.00 0.00 O ATOM 0 H GLU A 57 11.260 -6.774 -4.577 1.00 0.00 H new ATOM 0 HA GLU A 57 8.505 -6.584 -5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.868 -8.359 -6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.206 -9.059 -5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.626 -9.237 -4.964 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.530 -8.905 -6.682 1.00 0.00 H new ATOM 863 N LEU A 58 7.731 -6.582 -3.358 1.00 0.00 N ATOM 864 CA LEU A 58 7.140 -6.487 -2.026 1.00 0.00 C ATOM 865 C LEU A 58 6.107 -7.598 -1.827 1.00 0.00 C ATOM 866 O LEU A 58 4.983 -7.497 -2.331 1.00 0.00 O ATOM 867 CB LEU A 58 6.479 -5.101 -1.877 1.00 0.00 C ATOM 868 CG LEU A 58 5.909 -4.799 -0.474 1.00 0.00 C ATOM 869 CD1 LEU A 58 7.041 -4.651 0.544 1.00 0.00 C ATOM 870 CD2 LEU A 58 5.067 -3.511 -0.547 1.00 0.00 C ATOM 0 H LEU A 58 7.178 -6.080 -4.053 1.00 0.00 H new ATOM 0 HA LEU A 58 7.914 -6.606 -1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.214 -4.336 -2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.673 -5.019 -2.606 1.00 0.00 H new ATOM 0 HG LEU A 58 5.278 -5.626 -0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.621 -4.438 1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.615 -5.577 0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.695 -3.832 0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.659 -3.287 0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.696 -2.684 -0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.250 -3.650 -1.255 1.00 0.00 H new ATOM 882 N THR A 59 6.464 -8.653 -1.099 1.00 0.00 N ATOM 883 CA THR A 59 5.508 -9.652 -0.625 1.00 0.00 C ATOM 884 C THR A 59 5.052 -9.309 0.798 1.00 0.00 C ATOM 885 O THR A 59 5.750 -8.567 1.491 1.00 0.00 O ATOM 886 CB THR A 59 6.152 -11.050 -0.670 1.00 0.00 C ATOM 887 OG1 THR A 59 7.447 -11.064 -0.096 1.00 0.00 O ATOM 888 CG2 THR A 59 6.261 -11.555 -2.101 1.00 0.00 C ATOM 0 H THR A 59 7.427 -8.840 -0.820 1.00 0.00 H new ATOM 0 HA THR A 59 4.633 -9.651 -1.274 1.00 0.00 H new ATOM 0 HB THR A 59 5.499 -11.701 -0.088 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.817 -11.970 -0.145 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.719 -12.544 -2.104 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.266 -11.615 -2.543 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.876 -10.869 -2.683 1.00 0.00 H new ATOM 896 N ALA A 60 3.946 -9.899 1.278 1.00 0.00 N ATOM 897 CA ALA A 60 3.681 -10.087 2.704 1.00 0.00 C ATOM 898 C ALA A 60 2.892 -11.375 2.956 1.00 0.00 C ATOM 899 O ALA A 60 1.681 -11.435 2.734 1.00 0.00 O ATOM 900 CB ALA A 60 2.955 -8.888 3.319 1.00 0.00 C ATOM 0 H ALA A 60 3.206 -10.261 0.677 1.00 0.00 H new ATOM 0 HA ALA A 60 4.651 -10.172 3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.780 -9.073 4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.567 -7.994 3.203 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.000 -8.742 2.813 1.00 0.00 H new ATOM 906 N LYS A 61 3.576 -12.417 3.435 1.00 0.00 N ATOM 907 CA LYS A 61 2.985 -13.712 3.771 1.00 0.00 C ATOM 908 C LYS A 61 2.458 -13.675 5.205 1.00 0.00 C ATOM 909 O LYS A 61 3.069 -14.223 6.123 1.00 0.00 O ATOM 910 CB LYS A 61 4.047 -14.797 3.543 1.00 0.00 C ATOM 911 CG LYS A 61 3.571 -16.239 3.806 1.00 0.00 C ATOM 912 CD LYS A 61 4.761 -17.204 3.733 1.00 0.00 C ATOM 913 CE LYS A 61 4.455 -18.530 4.438 1.00 0.00 C ATOM 914 NZ LYS A 61 5.583 -19.475 4.310 1.00 0.00 N ATOM 0 H LYS A 61 4.581 -12.381 3.604 1.00 0.00 H new ATOM 0 HA LYS A 61 2.131 -13.943 3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.400 -14.729 2.514 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.901 -14.589 4.187 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.100 -16.302 4.787 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.817 -16.522 3.072 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.012 -17.395 2.690 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.635 -16.741 4.191 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.249 -18.345 5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.555 -18.973 4.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.348 -20.364 4.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.762 -19.668 3.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.434 -19.060 4.740 1.00 0.00 H new ATOM 928 N GLY A 62 1.304 -13.054 5.412 1.00 0.00 N ATOM 929 CA GLY A 62 0.639 -13.036 6.716 1.00 0.00 C ATOM 930 C GLY A 62 -0.120 -11.741 6.896 1.00 0.00 C ATOM 931 O GLY A 62 0.392 -10.796 7.499 1.00 0.00 O ATOM 0 H GLY A 62 0.800 -12.548 4.684 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.045 -13.881 6.796 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.377 -13.147 7.510 1.00 0.00 H new ATOM 935 N LEU A 63 -1.313 -11.669 6.306 1.00 0.00 N ATOM 936 CA LEU A 63 -1.992 -10.438 5.997 1.00 0.00 C ATOM 937 C LEU A 63 -3.312 -10.358 6.769 1.00 0.00 C ATOM 938 O LEU A 63 -4.392 -10.640 6.243 1.00 0.00 O ATOM 939 CB LEU A 63 -2.140 -10.338 4.475 1.00 0.00 C ATOM 940 CG LEU A 63 -1.894 -8.932 3.947 1.00 0.00 C ATOM 941 CD1 LEU A 63 -0.483 -8.762 3.425 1.00 0.00 C ATOM 942 CD2 LEU A 63 -2.895 -8.611 2.846 1.00 0.00 C ATOM 0 H LEU A 63 -1.838 -12.498 6.027 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.419 -9.569 6.320 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.440 -11.026 4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.143 -10.657 4.191 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.024 -8.239 4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.351 -7.744 3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.228 -8.953 4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.309 -9.466 2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.714 -7.603 2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.782 -9.326 2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.907 -8.673 3.245 1.00 0.00 H new ATOM 954 N ALA A 64 -3.203 -9.917 8.017 1.00 0.00 N ATOM 955 CA ALA A 64 -4.298 -9.741 8.963 1.00 0.00 C ATOM 956 C ALA A 64 -5.103 -8.467 8.684 1.00 0.00 C ATOM 957 O ALA A 64 -4.725 -7.368 9.127 1.00 0.00 O ATOM 958 CB ALA A 64 -3.712 -9.699 10.372 1.00 0.00 C ATOM 0 H ALA A 64 -2.301 -9.659 8.417 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.989 -10.577 8.859 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.516 -9.568 11.097 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.188 -10.633 10.576 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.013 -8.866 10.451 1.00 0.00 H new ATOM 964 N MET A 65 -6.212 -8.611 7.956 1.00 0.00 N ATOM 965 CA MET A 65 -7.195 -7.553 7.762 1.00 0.00 C ATOM 966 C MET A 65 -8.579 -8.046 8.193 1.00 0.00 C ATOM 967 O MET A 65 -8.738 -9.193 8.617 1.00 0.00 O ATOM 968 CB MET A 65 -7.047 -6.914 6.372 1.00 0.00 C ATOM 969 CG MET A 65 -7.189 -7.752 5.113 1.00 0.00 C ATOM 970 SD MET A 65 -6.173 -7.230 3.708 1.00 0.00 S ATOM 971 CE MET A 65 -7.029 -5.708 3.220 1.00 0.00 C ATOM 0 H MET A 65 -6.452 -9.480 7.479 1.00 0.00 H new ATOM 0 HA MET A 65 -7.016 -6.703 8.420 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.783 -6.112 6.308 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.063 -6.447 6.337 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.939 -8.785 5.355 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.235 -7.741 4.806 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.296 -4.927 3.017 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.619 -5.894 2.322 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.688 -5.386 4.027 1.00 0.00 H new ATOM 981 N THR A 66 -9.558 -7.153 8.227 1.00 0.00 N ATOM 982 CA THR A 66 -10.813 -7.335 8.945 1.00 0.00 C ATOM 983 C THR A 66 -11.933 -7.643 7.947 1.00 0.00 C ATOM 984 O THR A 66 -11.687 -7.993 6.791 1.00 0.00 O ATOM 985 CB THR A 66 -11.083 -6.121 9.867 1.00 0.00 C ATOM 986 OG1 THR A 66 -11.516 -4.996 9.135 1.00 0.00 O ATOM 987 CG2 THR A 66 -9.891 -5.698 10.740 1.00 0.00 C ATOM 0 H THR A 66 -9.500 -6.257 7.743 1.00 0.00 H new ATOM 0 HA THR A 66 -10.759 -8.195 9.612 1.00 0.00 H new ATOM 0 HB THR A 66 -11.869 -6.474 10.535 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.694 -4.254 9.750 1.00 0.00 H new ATOM 0 HG21 THR A 66 -10.174 -4.841 11.351 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.602 -6.526 11.387 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.050 -5.427 10.101 1.00 0.00 H new ATOM 995 N ARG A 67 -13.183 -7.535 8.395 1.00 0.00 N ATOM 996 CA ARG A 67 -14.390 -7.820 7.618 1.00 0.00 C ATOM 997 C ARG A 67 -15.444 -6.721 7.769 1.00 0.00 C ATOM 998 O ARG A 67 -16.656 -6.956 7.697 1.00 0.00 O ATOM 999 CB ARG A 67 -14.863 -9.233 7.948 1.00 0.00 C ATOM 1000 CG ARG A 67 -15.171 -9.453 9.440 1.00 0.00 C ATOM 1001 CD ARG A 67 -16.621 -9.903 9.607 1.00 0.00 C ATOM 1002 NE ARG A 67 -16.787 -11.322 9.270 1.00 0.00 N ATOM 1003 CZ ARG A 67 -16.580 -12.364 10.081 1.00 0.00 C ATOM 1004 NH1 ARG A 67 -16.340 -12.200 11.378 1.00 0.00 N ATOM 1005 NH2 ARG A 67 -16.596 -13.590 9.586 1.00 0.00 N ATOM 0 H ARG A 67 -13.392 -7.235 9.347 1.00 0.00 H new ATOM 0 HA ARG A 67 -14.170 -7.804 6.550 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.758 -9.452 7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -14.098 -9.944 7.636 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.498 -10.204 9.853 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -15.000 -8.531 9.996 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -16.940 -9.733 10.635 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -17.266 -9.299 8.969 1.00 0.00 H new ATOM 0 HE ARG A 67 -17.091 -11.534 8.320 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -16.310 -11.262 11.777 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -16.185 -13.013 11.975 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -16.766 -13.736 8.591 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -16.439 -14.390 10.199 1.00 0.00 H new ATOM 1019 N MET A 68 -14.973 -5.514 8.074 1.00 0.00 N ATOM 1020 CA MET A 68 -15.761 -4.289 8.120 1.00 0.00 C ATOM 1021 C MET A 68 -16.113 -3.823 6.699 1.00 0.00 C ATOM 1022 O MET A 68 -15.941 -4.549 5.724 1.00 0.00 O ATOM 1023 CB MET A 68 -15.000 -3.236 8.945 1.00 0.00 C ATOM 1024 CG MET A 68 -13.723 -2.765 8.246 1.00 0.00 C ATOM 1025 SD MET A 68 -12.596 -1.793 9.282 1.00 0.00 S ATOM 1026 CE MET A 68 -13.307 -0.150 9.010 1.00 0.00 C ATOM 0 H MET A 68 -13.992 -5.359 8.305 1.00 0.00 H new ATOM 0 HA MET A 68 -16.715 -4.463 8.618 1.00 0.00 H new ATOM 0 HB2 MET A 68 -15.650 -2.380 9.126 1.00 0.00 H new ATOM 0 HB3 MET A 68 -14.746 -3.654 9.919 1.00 0.00 H new ATOM 0 HG2 MET A 68 -13.188 -3.638 7.873 1.00 0.00 H new ATOM 0 HG3 MET A 68 -14.001 -2.167 7.378 1.00 0.00 H new ATOM 0 HE1 MET A 68 -12.739 0.590 9.574 1.00 0.00 H new ATOM 0 HE2 MET A 68 -13.266 0.093 7.948 1.00 0.00 H new ATOM 0 HE3 MET A 68 -14.345 -0.143 9.344 1.00 0.00 H new ATOM 1036 N MET A 69 -16.645 -2.612 6.582 1.00 0.00 N ATOM 1037 CA MET A 69 -17.065 -1.953 5.358 1.00 0.00 C ATOM 1038 C MET A 69 -16.732 -0.464 5.454 1.00 0.00 C ATOM 1039 O MET A 69 -16.162 -0.014 6.457 1.00 0.00 O ATOM 1040 CB MET A 69 -18.562 -2.201 5.161 1.00 0.00 C ATOM 1041 CG MET A 69 -19.446 -1.536 6.229 1.00 0.00 C ATOM 1042 SD MET A 69 -20.689 -2.629 6.964 1.00 0.00 S ATOM 1043 CE MET A 69 -19.594 -3.866 7.708 1.00 0.00 C ATOM 0 H MET A 69 -16.804 -2.025 7.401 1.00 0.00 H new ATOM 0 HA MET A 69 -16.539 -2.353 4.491 1.00 0.00 H new ATOM 0 HB2 MET A 69 -18.856 -1.832 4.178 1.00 0.00 H new ATOM 0 HB3 MET A 69 -18.747 -3.275 5.167 1.00 0.00 H new ATOM 0 HG2 MET A 69 -18.806 -1.149 7.022 1.00 0.00 H new ATOM 0 HG3 MET A 69 -19.952 -0.680 5.782 1.00 0.00 H new ATOM 0 HE1 MET A 69 -20.132 -4.408 8.486 1.00 0.00 H new ATOM 0 HE2 MET A 69 -19.262 -4.566 6.941 1.00 0.00 H new ATOM 0 HE3 MET A 69 -18.728 -3.369 8.145 1.00 0.00 H new ATOM 1053 N CYS A 70 -17.072 0.292 4.410 1.00 0.00 N ATOM 1054 CA CYS A 70 -16.773 1.711 4.290 1.00 0.00 C ATOM 1055 C CYS A 70 -17.844 2.433 3.475 1.00 0.00 C ATOM 1056 O CYS A 70 -18.560 1.816 2.691 1.00 0.00 O ATOM 1057 CB CYS A 70 -15.427 1.885 3.582 1.00 0.00 C ATOM 1058 SG CYS A 70 -13.972 1.429 4.532 1.00 0.00 S ATOM 0 H CYS A 70 -17.576 -0.080 3.605 1.00 0.00 H new ATOM 0 HA CYS A 70 -16.743 2.138 5.293 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -15.440 1.291 2.668 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -15.329 2.929 3.283 1.00 0.00 H new ATOM 1063 N ALA A 71 -17.859 3.765 3.583 1.00 0.00 N ATOM 1064 CA ALA A 71 -18.756 4.682 2.881 1.00 0.00 C ATOM 1065 C ALA A 71 -18.485 4.783 1.368 1.00 0.00 C ATOM 1066 O ALA A 71 -18.968 5.721 0.729 1.00 0.00 O ATOM 1067 CB ALA A 71 -18.629 6.069 3.535 1.00 0.00 C ATOM 0 H ALA A 71 -17.209 4.257 4.196 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.768 4.287 2.971 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.290 6.772 3.028 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.908 6.002 4.587 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -17.599 6.416 3.454 1.00 0.00 H new ATOM 1073 N ASN A 72 -17.672 3.903 0.777 1.00 0.00 N ATOM 1074 CA ASN A 72 -17.366 3.933 -0.652 1.00 0.00 C ATOM 1075 C ASN A 72 -17.155 2.500 -1.135 1.00 0.00 C ATOM 1076 O ASN A 72 -16.494 1.736 -0.425 1.00 0.00 O ATOM 1077 CB ASN A 72 -16.069 4.741 -0.879 1.00 0.00 C ATOM 1078 CG ASN A 72 -16.084 5.522 -2.186 1.00 0.00 C ATOM 1079 OD1 ASN A 72 -17.080 6.135 -2.546 1.00 0.00 O ATOM 1080 ND2 ASN A 72 -14.996 5.542 -2.933 1.00 0.00 N ATOM 0 H ASN A 72 -17.207 3.148 1.280 1.00 0.00 H new ATOM 0 HA ASN A 72 -18.185 4.398 -1.200 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.927 5.433 -0.049 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -15.217 4.061 -0.877 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.987 6.067 -3.807 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.164 5.032 -2.636 1.00 0.00 H new ATOM 1087 N PRO A 73 -17.576 2.154 -2.362 1.00 0.00 N ATOM 1088 CA PRO A 73 -17.405 0.804 -2.887 1.00 0.00 C ATOM 1089 C PRO A 73 -15.957 0.543 -3.310 1.00 0.00 C ATOM 1090 O PRO A 73 -15.517 -0.604 -3.336 1.00 0.00 O ATOM 1091 CB PRO A 73 -18.357 0.725 -4.083 1.00 0.00 C ATOM 1092 CG PRO A 73 -18.456 2.161 -4.575 1.00 0.00 C ATOM 1093 CD PRO A 73 -18.302 2.992 -3.308 1.00 0.00 C ATOM 0 HA PRO A 73 -17.628 0.046 -2.136 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.969 0.064 -4.858 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.332 0.336 -3.791 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -17.675 2.390 -5.300 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.411 2.351 -5.064 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -17.757 3.914 -3.510 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.275 3.278 -2.909 1.00 0.00 H new ATOM 1101 N GLN A 74 -15.218 1.600 -3.650 1.00 0.00 N ATOM 1102 CA GLN A 74 -13.836 1.521 -4.086 1.00 0.00 C ATOM 1103 C GLN A 74 -12.944 1.130 -2.901 1.00 0.00 C ATOM 1104 O GLN A 74 -12.163 0.192 -3.035 1.00 0.00 O ATOM 1105 CB GLN A 74 -13.481 2.867 -4.723 1.00 0.00 C ATOM 1106 CG GLN A 74 -12.009 2.993 -5.124 1.00 0.00 C ATOM 1107 CD GLN A 74 -11.634 4.387 -5.646 1.00 0.00 C ATOM 1108 OE1 GLN A 74 -12.331 5.377 -5.420 1.00 0.00 O ATOM 1109 NE2 GLN A 74 -10.526 4.522 -6.353 1.00 0.00 N ATOM 0 H GLN A 74 -15.578 2.554 -3.627 1.00 0.00 H new ATOM 0 HA GLN A 74 -13.678 0.746 -4.836 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.102 3.015 -5.606 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.727 3.666 -4.023 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.384 2.756 -4.263 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -11.785 2.253 -5.893 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.942 3.708 -6.546 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.255 5.440 -6.706 1.00 0.00 H new ATOM 1118 N LEU A 75 -13.082 1.791 -1.739 1.00 0.00 N ATOM 1119 CA LEU A 75 -12.352 1.403 -0.522 1.00 0.00 C ATOM 1120 C LEU A 75 -12.626 -0.074 -0.221 1.00 0.00 C ATOM 1121 O LEU A 75 -11.701 -0.809 0.115 1.00 0.00 O ATOM 1122 CB LEU A 75 -12.722 2.227 0.737 1.00 0.00 C ATOM 1123 CG LEU A 75 -12.551 3.758 0.688 1.00 0.00 C ATOM 1124 CD1 LEU A 75 -13.244 4.430 1.876 1.00 0.00 C ATOM 1125 CD2 LEU A 75 -11.087 4.220 0.671 1.00 0.00 C ATOM 0 H LEU A 75 -13.694 2.598 -1.618 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.300 1.597 -0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.764 2.017 0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.123 1.852 1.567 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.012 4.057 -0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.106 5.510 1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.309 4.198 1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.811 4.061 2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.049 5.309 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.584 3.868 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.587 3.812 -0.207 1.00 0.00 H new ATOM 1137 N ASN A 76 -13.900 -0.482 -0.312 1.00 0.00 N ATOM 1138 CA ASN A 76 -14.358 -1.828 0.024 1.00 0.00 C ATOM 1139 C ASN A 76 -13.683 -2.881 -0.865 1.00 0.00 C ATOM 1140 O ASN A 76 -13.309 -3.940 -0.376 1.00 0.00 O ATOM 1141 CB ASN A 76 -15.897 -1.899 -0.076 1.00 0.00 C ATOM 1142 CG ASN A 76 -16.455 -3.132 0.621 1.00 0.00 C ATOM 1143 OD1 ASN A 76 -16.184 -4.258 0.225 1.00 0.00 O ATOM 1144 ND2 ASN A 76 -17.275 -2.969 1.647 1.00 0.00 N ATOM 0 H ASN A 76 -14.652 0.130 -0.628 1.00 0.00 H new ATOM 0 HA ASN A 76 -14.072 -2.050 1.052 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.331 -1.003 0.368 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.192 -1.910 -1.125 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -17.682 -3.782 2.109 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -17.500 -2.030 1.976 1.00 0.00 H new ATOM 1151 N GLU A 77 -13.504 -2.593 -2.155 1.00 0.00 N ATOM 1152 CA GLU A 77 -12.925 -3.481 -3.151 1.00 0.00 C ATOM 1153 C GLU A 77 -11.397 -3.497 -3.133 1.00 0.00 C ATOM 1154 O GLU A 77 -10.767 -4.505 -3.454 1.00 0.00 O ATOM 1155 CB GLU A 77 -13.417 -2.944 -4.494 1.00 0.00 C ATOM 1156 CG GLU A 77 -13.163 -3.902 -5.659 1.00 0.00 C ATOM 1157 CD GLU A 77 -12.023 -3.489 -6.602 1.00 0.00 C ATOM 1158 OE1 GLU A 77 -11.740 -2.276 -6.761 1.00 0.00 O ATOM 1159 OE2 GLU A 77 -11.478 -4.365 -7.310 1.00 0.00 O ATOM 0 H GLU A 77 -13.773 -1.691 -2.547 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.227 -4.509 -2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.486 -2.741 -4.426 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.924 -1.994 -4.700 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.941 -4.890 -5.256 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.080 -3.994 -6.241 1.00 0.00 H new ATOM 1166 N LEU A 78 -10.786 -2.375 -2.762 1.00 0.00 N ATOM 1167 CA LEU A 78 -9.328 -2.237 -2.700 1.00 0.00 C ATOM 1168 C LEU A 78 -8.694 -3.208 -1.709 1.00 0.00 C ATOM 1169 O LEU A 78 -7.539 -3.581 -1.900 1.00 0.00 O ATOM 1170 CB LEU A 78 -8.937 -0.808 -2.318 1.00 0.00 C ATOM 1171 CG LEU A 78 -8.706 0.096 -3.534 1.00 0.00 C ATOM 1172 CD1 LEU A 78 -8.651 1.532 -3.020 1.00 0.00 C ATOM 1173 CD2 LEU A 78 -7.397 -0.223 -4.272 1.00 0.00 C ATOM 0 H LEU A 78 -11.289 -1.529 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.952 -2.473 -3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -9.721 -0.377 -1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.030 -0.835 -1.715 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.515 -0.061 -4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.487 2.212 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.593 1.779 -2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.834 1.632 -2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.287 0.448 -5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.555 -0.089 -3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.420 -1.254 -4.624 1.00 0.00 H new ATOM 1185 N ASP A 79 -9.450 -3.634 -0.699 1.00 0.00 N ATOM 1186 CA ASP A 79 -9.153 -4.767 0.176 1.00 0.00 C ATOM 1187 C ASP A 79 -8.744 -5.991 -0.622 1.00 0.00 C ATOM 1188 O ASP A 79 -7.704 -6.594 -0.356 1.00 0.00 O ATOM 1189 CB ASP A 79 -10.406 -5.059 0.999 1.00 0.00 C ATOM 1190 CG ASP A 79 -10.383 -6.390 1.761 1.00 0.00 C ATOM 1191 OD1 ASP A 79 -9.966 -6.440 2.934 1.00 0.00 O ATOM 1192 OD2 ASP A 79 -10.874 -7.394 1.203 1.00 0.00 O ATOM 0 H ASP A 79 -10.329 -3.176 -0.457 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.315 -4.519 0.827 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.549 -4.250 1.715 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.269 -5.053 0.334 1.00 0.00 H new ATOM 1197 N ASN A 80 -9.539 -6.330 -1.633 1.00 0.00 N ATOM 1198 CA ASN A 80 -9.301 -7.537 -2.396 1.00 0.00 C ATOM 1199 C ASN A 80 -8.107 -7.336 -3.314 1.00 0.00 C ATOM 1200 O ASN A 80 -7.337 -8.276 -3.483 1.00 0.00 O ATOM 1201 CB ASN A 80 -10.507 -7.930 -3.254 1.00 0.00 C ATOM 1202 CG ASN A 80 -11.801 -8.247 -2.521 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -12.779 -8.574 -3.177 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -11.916 -8.151 -1.211 1.00 0.00 N ATOM 0 H ASN A 80 -10.347 -5.786 -1.936 1.00 0.00 H new ATOM 0 HA ASN A 80 -9.114 -8.336 -1.678 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -10.704 -7.118 -3.954 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.231 -8.802 -3.847 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -12.810 -8.348 -0.762 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -11.111 -7.879 -0.647 1.00 0.00 H new ATOM 1211 N THR A 81 -7.931 -6.130 -3.881 1.00 0.00 N ATOM 1212 CA THR A 81 -6.720 -5.820 -4.633 1.00 0.00 C ATOM 1213 C THR A 81 -5.522 -6.113 -3.740 1.00 0.00 C ATOM 1214 O THR A 81 -4.705 -6.958 -4.083 1.00 0.00 O ATOM 1215 CB THR A 81 -6.670 -4.368 -5.142 1.00 0.00 C ATOM 1216 OG1 THR A 81 -7.784 -4.068 -5.962 1.00 0.00 O ATOM 1217 CG2 THR A 81 -5.385 -4.115 -5.960 1.00 0.00 C ATOM 0 H THR A 81 -8.607 -5.368 -3.830 1.00 0.00 H new ATOM 0 HA THR A 81 -6.707 -6.444 -5.527 1.00 0.00 H new ATOM 0 HB THR A 81 -6.684 -3.726 -4.261 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.724 -3.139 -6.268 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.373 -3.082 -6.309 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.513 -4.296 -5.332 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.361 -4.788 -6.817 1.00 0.00 H new ATOM 1225 N ILE A 82 -5.393 -5.396 -2.621 1.00 0.00 N ATOM 1226 CA ILE A 82 -4.148 -5.385 -1.880 1.00 0.00 C ATOM 1227 C ILE A 82 -3.861 -6.767 -1.300 1.00 0.00 C ATOM 1228 O ILE A 82 -2.710 -7.204 -1.341 1.00 0.00 O ATOM 1229 CB ILE A 82 -4.188 -4.258 -0.818 1.00 0.00 C ATOM 1230 CG1 ILE A 82 -2.804 -3.944 -0.236 1.00 0.00 C ATOM 1231 CG2 ILE A 82 -5.132 -4.528 0.366 1.00 0.00 C ATOM 1232 CD1 ILE A 82 -1.862 -3.329 -1.271 1.00 0.00 C ATOM 0 H ILE A 82 -6.134 -4.823 -2.218 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.313 -5.163 -2.544 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.571 -3.408 -1.382 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.913 -3.258 0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.361 -4.860 0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.096 -3.687 1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.151 -4.652 -0.002 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.819 -5.436 0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.896 -3.126 -0.808 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.728 -4.024 -2.100 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.289 -2.398 -1.644 1.00 0.00 H new ATOM 1244 N SER A 83 -4.882 -7.479 -0.810 1.00 0.00 N ATOM 1245 CA SER A 83 -4.656 -8.775 -0.207 1.00 0.00 C ATOM 1246 C SER A 83 -4.060 -9.721 -1.250 1.00 0.00 C ATOM 1247 O SER A 83 -3.007 -10.326 -1.013 1.00 0.00 O ATOM 1248 CB SER A 83 -5.946 -9.295 0.440 1.00 0.00 C ATOM 1249 OG SER A 83 -5.705 -10.397 1.301 1.00 0.00 O ATOM 0 H SER A 83 -5.856 -7.176 -0.823 1.00 0.00 H new ATOM 0 HA SER A 83 -3.930 -8.701 0.602 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.417 -8.491 1.005 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.648 -9.591 -0.339 1.00 0.00 H new ATOM 0 HG SER A 83 -6.551 -10.697 1.694 1.00 0.00 H new ATOM 1255 N GLU A 84 -4.686 -9.776 -2.425 1.00 0.00 N ATOM 1256 CA GLU A 84 -4.256 -10.616 -3.530 1.00 0.00 C ATOM 1257 C GLU A 84 -2.913 -10.150 -4.114 1.00 0.00 C ATOM 1258 O GLU A 84 -2.224 -10.956 -4.747 1.00 0.00 O ATOM 1259 CB GLU A 84 -5.350 -10.599 -4.614 1.00 0.00 C ATOM 1260 CG GLU A 84 -5.353 -11.818 -5.547 1.00 0.00 C ATOM 1261 CD GLU A 84 -5.984 -13.027 -4.855 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -5.286 -13.722 -4.083 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -7.204 -13.268 -5.023 1.00 0.00 O ATOM 0 H GLU A 84 -5.520 -9.227 -2.634 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.105 -11.631 -3.162 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.323 -10.530 -4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.230 -9.699 -5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.906 -11.584 -6.457 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.332 -12.056 -5.846 1.00 0.00 H new ATOM 1270 N MET A 85 -2.500 -8.884 -3.940 1.00 0.00 N ATOM 1271 CA MET A 85 -1.323 -8.382 -4.636 1.00 0.00 C ATOM 1272 C MET A 85 -0.136 -8.716 -3.756 1.00 0.00 C ATOM 1273 O MET A 85 0.899 -9.208 -4.206 1.00 0.00 O ATOM 1274 CB MET A 85 -1.476 -6.899 -4.994 1.00 0.00 C ATOM 1275 CG MET A 85 -0.898 -5.795 -4.154 1.00 0.00 C ATOM 1276 SD MET A 85 -1.419 -4.113 -4.636 1.00 0.00 S ATOM 1277 CE MET A 85 -0.631 -3.927 -6.254 1.00 0.00 C ATOM 0 H MET A 85 -2.960 -8.206 -3.332 1.00 0.00 H new ATOM 0 HA MET A 85 -1.177 -8.855 -5.607 1.00 0.00 H new ATOM 0 HB2 MET A 85 -1.062 -6.777 -5.995 1.00 0.00 H new ATOM 0 HB3 MET A 85 -2.546 -6.706 -5.066 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.179 -5.963 -3.114 1.00 0.00 H new ATOM 0 HG3 MET A 85 0.189 -5.851 -4.203 1.00 0.00 H new ATOM 0 HE1 MET A 85 -0.822 -2.925 -6.639 1.00 0.00 H new ATOM 0 HE2 MET A 85 0.444 -4.079 -6.155 1.00 0.00 H new ATOM 0 HE3 MET A 85 -1.039 -4.665 -6.945 1.00 0.00 H new ATOM 1287 N LEU A 86 -0.310 -8.530 -2.446 1.00 0.00 N ATOM 1288 CA LEU A 86 0.813 -8.679 -1.559 1.00 0.00 C ATOM 1289 C LEU A 86 1.294 -10.127 -1.486 1.00 0.00 C ATOM 1290 O LEU A 86 2.434 -10.384 -1.105 1.00 0.00 O ATOM 1291 CB LEU A 86 0.457 -8.221 -0.143 1.00 0.00 C ATOM 1292 CG LEU A 86 0.758 -6.758 0.159 1.00 0.00 C ATOM 1293 CD1 LEU A 86 2.243 -6.517 0.461 1.00 0.00 C ATOM 1294 CD2 LEU A 86 0.371 -5.777 -0.925 1.00 0.00 C ATOM 0 H LEU A 86 -1.194 -8.284 -2.000 1.00 0.00 H new ATOM 0 HA LEU A 86 1.610 -8.057 -1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.605 -8.399 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.999 -8.842 0.570 1.00 0.00 H new ATOM 0 HG LEU A 86 0.133 -6.570 1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.405 -5.459 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.538 -7.107 1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.842 -6.813 -0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.628 -4.766 -0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.908 -6.018 -1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.702 -5.839 -1.106 1.00 0.00 H new ATOM 1306 N LYS A 87 0.406 -11.084 -1.756 1.00 0.00 N ATOM 1307 CA LYS A 87 0.714 -12.492 -1.619 1.00 0.00 C ATOM 1308 C LYS A 87 1.796 -12.909 -2.612 1.00 0.00 C ATOM 1309 O LYS A 87 2.789 -13.507 -2.192 1.00 0.00 O ATOM 1310 CB LYS A 87 -0.578 -13.304 -1.782 1.00 0.00 C ATOM 1311 CG LYS A 87 -0.517 -14.645 -1.041 1.00 0.00 C ATOM 1312 CD LYS A 87 -0.569 -14.530 0.494 1.00 0.00 C ATOM 1313 CE LYS A 87 -1.966 -14.724 1.110 1.00 0.00 C ATOM 1314 NZ LYS A 87 -2.961 -13.721 0.672 1.00 0.00 N ATOM 0 H LYS A 87 -0.544 -10.896 -2.075 1.00 0.00 H new ATOM 0 HA LYS A 87 1.117 -12.691 -0.626 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.420 -12.722 -1.408 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.761 -13.484 -2.841 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.347 -15.268 -1.374 1.00 0.00 H new ATOM 0 HG3 LYS A 87 0.401 -15.160 -1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.107 -15.270 0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.193 -13.549 0.784 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.330 -15.719 0.853 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.881 -14.687 2.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -3.875 -13.917 1.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.637 -12.770 0.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.072 -13.770 -0.361 1.00 0.00 H new ATOM 1328 N GLU A 88 1.607 -12.644 -3.909 1.00 0.00 N ATOM 1329 CA GLU A 88 2.565 -13.093 -4.914 1.00 0.00 C ATOM 1330 C GLU A 88 3.874 -12.314 -4.858 1.00 0.00 C ATOM 1331 O GLU A 88 4.939 -12.932 -4.937 1.00 0.00 O ATOM 1332 CB GLU A 88 1.991 -13.169 -6.333 1.00 0.00 C ATOM 1333 CG GLU A 88 1.512 -11.874 -7.002 1.00 0.00 C ATOM 1334 CD GLU A 88 1.454 -12.032 -8.530 1.00 0.00 C ATOM 1335 OE1 GLU A 88 1.342 -13.178 -9.026 1.00 0.00 O ATOM 1336 OE2 GLU A 88 1.548 -11.018 -9.252 1.00 0.00 O ATOM 0 H GLU A 88 0.809 -12.128 -4.280 1.00 0.00 H new ATOM 0 HA GLU A 88 2.796 -14.124 -4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.753 -13.611 -6.975 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.150 -13.862 -6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.525 -11.608 -6.623 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.184 -11.056 -6.743 1.00 0.00 H new ATOM 1343 N GLY A 89 3.806 -10.994 -4.676 1.00 0.00 N ATOM 1344 CA GLY A 89 4.969 -10.128 -4.744 1.00 0.00 C ATOM 1345 C GLY A 89 4.694 -9.018 -5.727 1.00 0.00 C ATOM 1346 O GLY A 89 4.878 -9.184 -6.930 1.00 0.00 O ATOM 0 H GLY A 89 2.936 -10.500 -4.477 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.189 -9.714 -3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.845 -10.697 -5.054 1.00 0.00 H new ATOM 1350 N ALA A 90 4.217 -7.894 -5.205 1.00 0.00 N ATOM 1351 CA ALA A 90 3.975 -6.729 -6.028 1.00 0.00 C ATOM 1352 C ALA A 90 5.318 -6.160 -6.484 1.00 0.00 C ATOM 1353 O ALA A 90 6.246 -6.053 -5.684 1.00 0.00 O ATOM 1354 CB ALA A 90 3.165 -5.715 -5.232 1.00 0.00 C ATOM 0 H ALA A 90 3.993 -7.771 -4.218 1.00 0.00 H new ATOM 0 HA ALA A 90 3.399 -6.990 -6.916 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.979 -4.834 -5.847 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.214 -6.159 -4.938 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.721 -5.424 -4.341 1.00 0.00 H new ATOM 1360 N GLN A 91 5.405 -5.784 -7.755 1.00 0.00 N ATOM 1361 CA GLN A 91 6.544 -5.183 -8.413 1.00 0.00 C ATOM 1362 C GLN A 91 6.573 -3.746 -7.916 1.00 0.00 C ATOM 1363 O GLN A 91 5.824 -2.904 -8.421 1.00 0.00 O ATOM 1364 CB GLN A 91 6.350 -5.276 -9.941 1.00 0.00 C ATOM 1365 CG GLN A 91 6.334 -6.716 -10.488 1.00 0.00 C ATOM 1366 CD GLN A 91 7.709 -7.364 -10.368 1.00 0.00 C ATOM 1367 OE1 GLN A 91 8.541 -7.272 -11.268 1.00 0.00 O ATOM 1368 NE2 GLN A 91 8.012 -8.008 -9.256 1.00 0.00 N ATOM 0 H GLN A 91 4.619 -5.903 -8.394 1.00 0.00 H new ATOM 0 HA GLN A 91 7.489 -5.679 -8.193 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.413 -4.787 -10.208 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.150 -4.721 -10.432 1.00 0.00 H new ATOM 0 HG2 GLN A 91 5.601 -7.308 -9.941 1.00 0.00 H new ATOM 0 HG3 GLN A 91 6.022 -6.708 -11.532 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.323 -8.086 -8.508 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.935 -8.428 -9.145 1.00 0.00 H new ATOM 1377 N VAL A 92 7.328 -3.506 -6.846 1.00 0.00 N ATOM 1378 CA VAL A 92 7.464 -2.198 -6.251 1.00 0.00 C ATOM 1379 C VAL A 92 8.594 -1.509 -7.005 1.00 0.00 C ATOM 1380 O VAL A 92 9.675 -2.074 -7.182 1.00 0.00 O ATOM 1381 CB VAL A 92 7.660 -2.328 -4.722 1.00 0.00 C ATOM 1382 CG1 VAL A 92 8.842 -3.196 -4.269 1.00 0.00 C ATOM 1383 CG2 VAL A 92 7.750 -0.966 -4.025 1.00 0.00 C ATOM 0 H VAL A 92 7.865 -4.230 -6.369 1.00 0.00 H new ATOM 0 HA VAL A 92 6.572 -1.578 -6.344 1.00 0.00 H new ATOM 0 HB VAL A 92 6.755 -2.853 -4.415 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.883 -3.216 -3.180 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.714 -4.211 -4.646 1.00 0.00 H new ATOM 0 HG13 VAL A 92 9.770 -2.779 -4.659 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.887 -1.114 -2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 92 8.596 -0.407 -4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.831 -0.407 -4.199 1.00 0.00 H new ATOM 1393 N ASP A 93 8.365 -0.274 -7.421 1.00 0.00 N ATOM 1394 CA ASP A 93 9.405 0.616 -7.913 1.00 0.00 C ATOM 1395 C ASP A 93 9.123 1.985 -7.310 1.00 0.00 C ATOM 1396 O ASP A 93 7.971 2.292 -6.987 1.00 0.00 O ATOM 1397 CB ASP A 93 9.406 0.643 -9.447 1.00 0.00 C ATOM 1398 CG ASP A 93 10.819 0.410 -9.984 1.00 0.00 C ATOM 1399 OD1 ASP A 93 11.621 1.371 -9.961 1.00 0.00 O ATOM 1400 OD2 ASP A 93 11.129 -0.738 -10.389 1.00 0.00 O ATOM 0 H ASP A 93 7.435 0.146 -7.426 1.00 0.00 H new ATOM 0 HA ASP A 93 10.399 0.279 -7.620 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.733 -0.124 -9.831 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.030 1.603 -9.800 1.00 0.00 H new ATOM 1405 N LEU A 94 10.147 2.815 -7.120 1.00 0.00 N ATOM 1406 CA LEU A 94 10.009 4.142 -6.543 1.00 0.00 C ATOM 1407 C LEU A 94 10.771 5.132 -7.398 1.00 0.00 C ATOM 1408 O LEU A 94 11.983 5.298 -7.270 1.00 0.00 O ATOM 1409 CB LEU A 94 10.445 4.178 -5.073 1.00 0.00 C ATOM 1410 CG LEU A 94 10.406 5.592 -4.468 1.00 0.00 C ATOM 1411 CD1 LEU A 94 8.986 6.147 -4.345 1.00 0.00 C ATOM 1412 CD2 LEU A 94 11.065 5.604 -3.096 1.00 0.00 C ATOM 0 H LEU A 94 11.107 2.577 -7.367 1.00 0.00 H new ATOM 0 HA LEU A 94 8.956 4.423 -6.539 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.797 3.522 -4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 94 11.457 3.781 -4.990 1.00 0.00 H new ATOM 0 HG LEU A 94 10.956 6.234 -5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.022 7.147 -3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.528 6.196 -5.333 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.395 5.495 -3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 94 11.028 6.612 -2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 94 10.536 4.921 -2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 94 12.104 5.288 -3.189 1.00 0.00 H new ATOM 1424 N THR A 95 10.002 5.828 -8.220 1.00 0.00 N ATOM 1425 CA THR A 95 10.408 7.047 -8.898 1.00 0.00 C ATOM 1426 C THR A 95 10.684 8.151 -7.865 1.00 0.00 C ATOM 1427 O THR A 95 10.240 8.044 -6.719 1.00 0.00 O ATOM 1428 CB THR A 95 9.291 7.509 -9.872 1.00 0.00 C ATOM 1429 OG1 THR A 95 8.369 6.498 -10.251 1.00 0.00 O ATOM 1430 CG2 THR A 95 9.832 8.144 -11.153 1.00 0.00 C ATOM 0 H THR A 95 9.046 5.550 -8.440 1.00 0.00 H new ATOM 0 HA THR A 95 11.318 6.851 -9.466 1.00 0.00 H new ATOM 0 HB THR A 95 8.761 8.252 -9.275 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.723 6.356 -9.528 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.000 8.445 -11.790 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.430 9.019 -10.901 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.452 7.421 -11.684 1.00 0.00 H new ATOM 1438 N ALA A 96 11.275 9.274 -8.301 1.00 0.00 N ATOM 1439 CA ALA A 96 11.806 10.385 -7.500 1.00 0.00 C ATOM 1440 C ALA A 96 10.931 10.889 -6.342 1.00 0.00 C ATOM 1441 O ALA A 96 11.447 11.477 -5.392 1.00 0.00 O ATOM 1442 CB ALA A 96 12.117 11.552 -8.446 1.00 0.00 C ATOM 0 H ALA A 96 11.403 9.441 -9.299 1.00 0.00 H new ATOM 0 HA ALA A 96 12.689 9.982 -7.005 1.00 0.00 H new ATOM 0 HB1 ALA A 96 12.513 12.390 -7.872 1.00 0.00 H new ATOM 0 HB2 ALA A 96 12.855 11.236 -9.183 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.204 11.861 -8.955 1.00 0.00 H new ATOM 1448 N ASN A 97 9.614 10.684 -6.416 1.00 0.00 N ATOM 1449 CA ASN A 97 8.639 10.901 -5.351 1.00 0.00 C ATOM 1450 C ASN A 97 7.387 10.025 -5.558 1.00 0.00 C ATOM 1451 O ASN A 97 6.433 10.165 -4.786 1.00 0.00 O ATOM 1452 CB ASN A 97 8.273 12.401 -5.201 1.00 0.00 C ATOM 1453 CG ASN A 97 8.662 13.274 -6.379 1.00 0.00 C ATOM 1454 OD1 ASN A 97 7.942 13.382 -7.368 1.00 0.00 O ATOM 1455 ND2 ASN A 97 9.841 13.858 -6.348 1.00 0.00 N ATOM 0 H ASN A 97 9.177 10.342 -7.272 1.00 0.00 H new ATOM 0 HA ASN A 97 9.104 10.595 -4.414 1.00 0.00 H new ATOM 0 HB2 ASN A 97 7.197 12.484 -5.046 1.00 0.00 H new ATOM 0 HB3 ASN A 97 8.755 12.790 -4.304 1.00 0.00 H new ATOM 0 HD21 ASN A 97 10.161 14.404 -7.148 1.00 0.00 H new ATOM 0 HD22 ASN A 97 10.435 13.765 -5.524 1.00 0.00 H new ATOM 1462 N GLN A 98 7.365 9.105 -6.541 1.00 0.00 N ATOM 1463 CA GLN A 98 6.181 8.351 -6.974 1.00 0.00 C ATOM 1464 C GLN A 98 6.471 6.847 -6.980 1.00 0.00 C ATOM 1465 O GLN A 98 7.257 6.352 -7.787 1.00 0.00 O ATOM 1466 CB GLN A 98 5.717 8.796 -8.364 1.00 0.00 C ATOM 1467 CG GLN A 98 4.284 8.333 -8.663 1.00 0.00 C ATOM 1468 CD GLN A 98 3.754 8.926 -9.962 1.00 0.00 C ATOM 1469 OE1 GLN A 98 3.337 10.078 -9.999 1.00 0.00 O ATOM 1470 NE2 GLN A 98 3.788 8.206 -11.072 1.00 0.00 N ATOM 0 H GLN A 98 8.201 8.861 -7.071 1.00 0.00 H new ATOM 0 HA GLN A 98 5.382 8.557 -6.262 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.770 9.882 -8.434 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.393 8.395 -9.119 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.260 7.245 -8.724 1.00 0.00 H new ATOM 0 HG3 GLN A 98 3.630 8.621 -7.839 1.00 0.00 H new ATOM 0 HE21 GLN A 98 4.134 7.247 -11.047 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.468 8.610 -11.952 1.00 0.00 H new ATOM 1479 N LEU A 99 5.851 6.137 -6.055 1.00 0.00 N ATOM 1480 CA LEU A 99 5.838 4.689 -5.908 1.00 0.00 C ATOM 1481 C LEU A 99 4.915 4.112 -6.983 1.00 0.00 C ATOM 1482 O LEU A 99 3.843 4.680 -7.229 1.00 0.00 O ATOM 1483 CB LEU A 99 5.264 4.355 -4.515 1.00 0.00 C ATOM 1484 CG LEU A 99 5.680 3.067 -3.796 1.00 0.00 C ATOM 1485 CD1 LEU A 99 7.183 2.890 -3.622 1.00 0.00 C ATOM 1486 CD2 LEU A 99 5.016 3.026 -2.410 1.00 0.00 C ATOM 0 H LEU A 99 5.299 6.593 -5.328 1.00 0.00 H new ATOM 0 HA LEU A 99 6.840 4.273 -6.011 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.512 5.187 -3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.178 4.336 -4.609 1.00 0.00 H new ATOM 0 HG LEU A 99 5.348 2.250 -4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.381 1.952 -3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.663 2.872 -4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.582 3.719 -3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.308 2.112 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.336 3.890 -1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.932 3.047 -2.525 1.00 0.00 H new ATOM 1498 N THR A 100 5.267 2.955 -7.530 1.00 0.00 N ATOM 1499 CA THR A 100 4.458 2.223 -8.491 1.00 0.00 C ATOM 1500 C THR A 100 4.432 0.771 -8.025 1.00 0.00 C ATOM 1501 O THR A 100 5.495 0.165 -7.885 1.00 0.00 O ATOM 1502 CB THR A 100 5.071 2.354 -9.898 1.00 0.00 C ATOM 1503 OG1 THR A 100 5.505 3.677 -10.169 1.00 0.00 O ATOM 1504 CG2 THR A 100 4.044 1.995 -10.972 1.00 0.00 C ATOM 0 H THR A 100 6.147 2.489 -7.310 1.00 0.00 H new ATOM 0 HA THR A 100 3.443 2.617 -8.548 1.00 0.00 H new ATOM 0 HB THR A 100 5.921 1.672 -9.920 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.889 3.717 -11.070 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.498 2.094 -11.958 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.711 0.967 -10.828 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.189 2.667 -10.897 1.00 0.00 H new ATOM 1512 N LEU A 101 3.249 0.231 -7.717 1.00 0.00 N ATOM 1513 CA LEU A 101 3.052 -1.170 -7.369 1.00 0.00 C ATOM 1514 C LEU A 101 2.182 -1.755 -8.460 1.00 0.00 C ATOM 1515 O LEU A 101 1.011 -1.391 -8.536 1.00 0.00 O ATOM 1516 CB LEU A 101 2.327 -1.315 -6.018 1.00 0.00 C ATOM 1517 CG LEU A 101 3.190 -1.182 -4.758 1.00 0.00 C ATOM 1518 CD1 LEU A 101 4.014 -2.433 -4.469 1.00 0.00 C ATOM 1519 CD2 LEU A 101 4.136 -0.005 -4.797 1.00 0.00 C ATOM 0 H LEU A 101 2.385 0.773 -7.704 1.00 0.00 H new ATOM 0 HA LEU A 101 4.013 -1.677 -7.282 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.539 -0.563 -5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.840 -2.290 -5.996 1.00 0.00 H new ATOM 0 HG LEU A 101 2.461 -1.028 -3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.604 -2.279 -3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.347 -3.283 -4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.680 -2.632 -5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.715 0.027 -3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.812 -0.110 -5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.565 0.918 -4.900 1.00 0.00 H new ATOM 1531 N ALA A 102 2.710 -2.639 -9.296 1.00 0.00 N ATOM 1532 CA ALA A 102 1.906 -3.522 -10.129 1.00 0.00 C ATOM 1533 C ALA A 102 1.978 -4.921 -9.549 1.00 0.00 C ATOM 1534 O ALA A 102 2.876 -5.244 -8.771 1.00 0.00 O ATOM 1535 CB ALA A 102 2.410 -3.505 -11.572 1.00 0.00 C ATOM 0 H ALA A 102 3.715 -2.764 -9.416 1.00 0.00 H new ATOM 0 HA ALA A 102 0.870 -3.182 -10.141 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.797 -4.171 -12.179 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.346 -2.491 -11.968 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.447 -3.841 -11.599 1.00 0.00 H new ATOM 1541 N THR A 103 1.005 -5.761 -9.862 1.00 0.00 N ATOM 1542 CA THR A 103 0.963 -7.164 -9.560 1.00 0.00 C ATOM 1543 C THR A 103 0.002 -7.775 -10.579 1.00 0.00 C ATOM 1544 O THR A 103 -0.625 -7.045 -11.361 1.00 0.00 O ATOM 1545 CB THR A 103 0.422 -7.331 -8.138 1.00 0.00 C ATOM 1546 OG1 THR A 103 0.871 -6.312 -7.273 1.00 0.00 O ATOM 1547 CG2 THR A 103 0.879 -8.615 -7.506 1.00 0.00 C ATOM 0 H THR A 103 0.174 -5.451 -10.366 1.00 0.00 H new ATOM 0 HA THR A 103 1.940 -7.644 -9.613 1.00 0.00 H new ATOM 0 HB THR A 103 -0.661 -7.306 -8.255 1.00 0.00 H new ATOM 0 HG1 THR A 103 0.917 -6.657 -6.357 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.471 -8.690 -6.498 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.531 -9.458 -8.102 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.968 -8.630 -7.458 1.00 0.00 H new ATOM 1555 N ALA A 104 -0.222 -9.084 -10.499 1.00 0.00 N ATOM 1556 CA ALA A 104 -1.233 -9.756 -11.294 1.00 0.00 C ATOM 1557 C ALA A 104 -2.591 -9.048 -11.187 1.00 0.00 C ATOM 1558 O ALA A 104 -3.290 -8.917 -12.192 1.00 0.00 O ATOM 1559 CB ALA A 104 -1.335 -11.220 -10.877 1.00 0.00 C ATOM 0 H ALA A 104 0.296 -9.706 -9.878 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.934 -9.714 -12.341 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.096 -11.717 -11.478 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.374 -11.710 -11.031 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.609 -11.280 -9.824 1.00 0.00 H new ATOM 1565 N LYS A 105 -2.963 -8.558 -9.998 1.00 0.00 N ATOM 1566 CA LYS A 105 -4.254 -7.912 -9.778 1.00 0.00 C ATOM 1567 C LYS A 105 -4.482 -6.645 -10.609 1.00 0.00 C ATOM 1568 O LYS A 105 -5.441 -6.583 -11.377 1.00 0.00 O ATOM 1569 CB LYS A 105 -4.473 -7.639 -8.277 1.00 0.00 C ATOM 1570 CG LYS A 105 -5.749 -8.325 -7.774 1.00 0.00 C ATOM 1571 CD LYS A 105 -7.033 -7.833 -8.469 1.00 0.00 C ATOM 1572 CE LYS A 105 -8.207 -8.756 -8.138 1.00 0.00 C ATOM 1573 NZ LYS A 105 -9.375 -8.509 -9.012 1.00 0.00 N ATOM 0 H LYS A 105 -2.375 -8.600 -9.165 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.003 -8.621 -10.132 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.615 -7.998 -7.709 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -4.542 -6.565 -8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.655 -9.401 -7.923 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.841 -8.159 -6.701 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.260 -6.816 -8.149 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.881 -7.801 -9.548 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.891 -9.794 -8.241 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.497 -8.613 -7.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.146 -9.157 -8.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.694 -7.526 -8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.107 -8.671 -10.004 1.00 0.00 H new ATOM 1587 N GLN A 106 -3.724 -5.586 -10.336 1.00 0.00 N ATOM 1588 CA GLN A 106 -3.789 -4.278 -10.989 1.00 0.00 C ATOM 1589 C GLN A 106 -2.537 -3.487 -10.591 1.00 0.00 C ATOM 1590 O GLN A 106 -1.674 -4.025 -9.885 1.00 0.00 O ATOM 1591 CB GLN A 106 -5.100 -3.512 -10.714 1.00 0.00 C ATOM 1592 CG GLN A 106 -5.628 -3.545 -9.298 1.00 0.00 C ATOM 1593 CD GLN A 106 -6.966 -2.806 -9.227 1.00 0.00 C ATOM 1594 OE1 GLN A 106 -7.924 -3.149 -9.914 1.00 0.00 O ATOM 1595 NE2 GLN A 106 -7.050 -1.743 -8.450 1.00 0.00 N ATOM 0 H GLN A 106 -3.006 -5.618 -9.612 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.803 -4.423 -12.069 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.949 -2.470 -10.995 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.871 -3.912 -11.373 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.754 -4.577 -8.971 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.910 -3.082 -8.621 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.251 -1.463 -7.881 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.914 -1.202 -8.418 1.00 0.00 H new ATOM 1604 N THR A 107 -2.454 -2.207 -10.970 1.00 0.00 N ATOM 1605 CA THR A 107 -1.382 -1.317 -10.550 1.00 0.00 C ATOM 1606 C THR A 107 -1.962 -0.143 -9.751 1.00 0.00 C ATOM 1607 O THR A 107 -3.040 0.367 -10.067 1.00 0.00 O ATOM 1608 CB THR A 107 -0.464 -0.971 -11.743 1.00 0.00 C ATOM 1609 OG1 THR A 107 0.699 -0.273 -11.337 1.00 0.00 O ATOM 1610 CG2 THR A 107 -1.145 -0.149 -12.836 1.00 0.00 C ATOM 0 H THR A 107 -3.138 -1.762 -11.582 1.00 0.00 H new ATOM 0 HA THR A 107 -0.707 -1.807 -9.849 1.00 0.00 H new ATOM 0 HB THR A 107 -0.200 -1.944 -12.157 1.00 0.00 H new ATOM 0 HG1 THR A 107 0.925 -0.521 -10.416 1.00 0.00 H new ATOM 0 HG21 THR A 107 -0.433 0.052 -13.637 1.00 0.00 H new ATOM 0 HG22 THR A 107 -1.993 -0.706 -13.235 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.495 0.794 -12.417 1.00 0.00 H new ATOM 1618 N LEU A 108 -1.268 0.261 -8.685 1.00 0.00 N ATOM 1619 CA LEU A 108 -1.611 1.325 -7.747 1.00 0.00 C ATOM 1620 C LEU A 108 -0.417 2.281 -7.718 1.00 0.00 C ATOM 1621 O LEU A 108 0.732 1.827 -7.698 1.00 0.00 O ATOM 1622 CB LEU A 108 -1.870 0.764 -6.326 1.00 0.00 C ATOM 1623 CG LEU A 108 -2.898 -0.382 -6.202 1.00 0.00 C ATOM 1624 CD1 LEU A 108 -3.122 -0.813 -4.751 1.00 0.00 C ATOM 1625 CD2 LEU A 108 -4.266 0.013 -6.748 1.00 0.00 C ATOM 0 H LEU A 108 -0.384 -0.184 -8.439 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.525 1.827 -8.063 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.921 0.413 -5.922 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.201 1.587 -5.692 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.469 -1.199 -6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.853 -1.621 -4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.180 -1.159 -4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.492 0.034 -4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.956 -0.824 -6.640 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.646 0.871 -6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.175 0.275 -7.802 1.00 0.00 H new ATOM 1637 N THR A 109 -0.681 3.585 -7.710 1.00 0.00 N ATOM 1638 CA THR A 109 0.330 4.635 -7.683 1.00 0.00 C ATOM 1639 C THR A 109 0.232 5.344 -6.330 1.00 0.00 C ATOM 1640 O THR A 109 -0.873 5.523 -5.809 1.00 0.00 O ATOM 1641 CB THR A 109 0.073 5.599 -8.857 1.00 0.00 C ATOM 1642 OG1 THR A 109 -0.010 4.877 -10.075 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.176 6.652 -8.992 1.00 0.00 C ATOM 0 H THR A 109 -1.633 3.950 -7.723 1.00 0.00 H new ATOM 0 HA THR A 109 1.337 4.233 -7.796 1.00 0.00 H new ATOM 0 HB THR A 109 -0.868 6.107 -8.647 1.00 0.00 H new ATOM 0 HG1 THR A 109 -0.175 5.499 -10.814 1.00 0.00 H new ATOM 0 HG21 THR A 109 0.951 7.308 -9.833 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.231 7.241 -8.076 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.132 6.157 -9.163 1.00 0.00 H new ATOM 1651 N TYR A 110 1.363 5.783 -5.773 1.00 0.00 N ATOM 1652 CA TYR A 110 1.428 6.456 -4.477 1.00 0.00 C ATOM 1653 C TYR A 110 2.239 7.745 -4.566 1.00 0.00 C ATOM 1654 O TYR A 110 2.873 8.024 -5.586 1.00 0.00 O ATOM 1655 CB TYR A 110 2.009 5.531 -3.395 1.00 0.00 C ATOM 1656 CG TYR A 110 1.281 4.215 -3.188 1.00 0.00 C ATOM 1657 CD1 TYR A 110 1.399 3.131 -4.082 1.00 0.00 C ATOM 1658 CD2 TYR A 110 0.428 4.105 -2.084 1.00 0.00 C ATOM 1659 CE1 TYR A 110 0.639 1.964 -3.868 1.00 0.00 C ATOM 1660 CE2 TYR A 110 -0.386 2.979 -1.900 1.00 0.00 C ATOM 1661 CZ TYR A 110 -0.264 1.887 -2.782 1.00 0.00 C ATOM 1662 OH TYR A 110 -1.027 0.779 -2.585 1.00 0.00 O ATOM 0 H TYR A 110 2.274 5.678 -6.219 1.00 0.00 H new ATOM 0 HA TYR A 110 0.407 6.712 -4.192 1.00 0.00 H new ATOM 0 HB2 TYR A 110 3.047 5.314 -3.649 1.00 0.00 H new ATOM 0 HB3 TYR A 110 2.018 6.072 -2.449 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.069 3.195 -4.927 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.396 4.905 -1.359 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.747 1.123 -4.537 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -1.100 2.949 -1.090 1.00 0.00 H new ATOM 0 HH TYR A 110 -1.587 0.904 -1.790 1.00 0.00 H new ATOM 1672 N LYS A 111 2.239 8.518 -3.477 1.00 0.00 N ATOM 1673 CA LYS A 111 3.053 9.707 -3.303 1.00 0.00 C ATOM 1674 C LYS A 111 3.857 9.592 -2.025 1.00 0.00 C ATOM 1675 O LYS A 111 3.327 9.132 -1.013 1.00 0.00 O ATOM 1676 CB LYS A 111 2.159 10.949 -3.218 1.00 0.00 C ATOM 1677 CG LYS A 111 2.910 12.249 -3.561 1.00 0.00 C ATOM 1678 CD LYS A 111 3.541 12.293 -4.966 1.00 0.00 C ATOM 1679 CE LYS A 111 2.413 12.254 -6.000 1.00 0.00 C ATOM 1680 NZ LYS A 111 2.813 11.925 -7.382 1.00 0.00 N ATOM 0 H LYS A 111 1.649 8.320 -2.669 1.00 0.00 H new ATOM 0 HA LYS A 111 3.724 9.800 -4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.316 10.831 -3.899 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.748 11.027 -2.212 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.218 13.085 -3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.697 12.400 -2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 111 4.136 13.198 -5.087 1.00 0.00 H new ATOM 0 HD3 LYS A 111 4.215 11.448 -5.107 1.00 0.00 H new ATOM 0 HE2 LYS A 111 1.673 11.524 -5.673 1.00 0.00 H new ATOM 0 HE3 LYS A 111 1.920 13.226 -6.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 2.063 11.366 -7.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 2.964 12.803 -7.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 3.695 11.374 -7.366 1.00 0.00 H new ATOM 1694 N LEU A 112 5.089 10.105 -2.045 1.00 0.00 N ATOM 1695 CA LEU A 112 5.921 10.384 -0.879 1.00 0.00 C ATOM 1696 C LEU A 112 5.379 11.636 -0.167 1.00 0.00 C ATOM 1697 O LEU A 112 6.071 12.634 0.027 1.00 0.00 O ATOM 1698 CB LEU A 112 7.370 10.538 -1.379 1.00 0.00 C ATOM 1699 CG LEU A 112 8.444 10.798 -0.302 1.00 0.00 C ATOM 1700 CD1 LEU A 112 8.481 9.730 0.800 1.00 0.00 C ATOM 1701 CD2 LEU A 112 9.789 10.846 -1.041 1.00 0.00 C ATOM 0 H LEU A 112 5.554 10.348 -2.920 1.00 0.00 H new ATOM 0 HA LEU A 112 5.901 9.580 -0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.642 9.632 -1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.399 11.359 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 112 8.216 11.730 0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.259 9.978 1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 112 7.516 9.695 1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.694 8.757 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.591 11.028 -0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 112 9.961 9.895 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.771 11.649 -1.778 1.00 0.00 H new ATOM 1713 N ALA A 113 4.085 11.658 0.140 1.00 0.00 N ATOM 1714 CA ALA A 113 3.494 12.677 0.987 1.00 0.00 C ATOM 1715 C ALA A 113 3.689 12.211 2.419 1.00 0.00 C ATOM 1716 O ALA A 113 2.853 11.466 2.934 1.00 0.00 O ATOM 1717 CB ALA A 113 2.010 12.874 0.660 1.00 0.00 C ATOM 0 H ALA A 113 3.418 10.964 -0.196 1.00 0.00 H new ATOM 0 HA ALA A 113 3.969 13.645 0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.593 13.643 1.310 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.904 13.182 -0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.475 11.937 0.817 1.00 0.00 H new ATOM 1723 N ASP A 114 4.786 12.601 3.062 1.00 0.00 N ATOM 1724 CA ASP A 114 5.056 12.169 4.427 1.00 0.00 C ATOM 1725 C ASP A 114 4.542 13.215 5.392 1.00 0.00 C ATOM 1726 O ASP A 114 5.263 14.057 5.937 1.00 0.00 O ATOM 1727 CB ASP A 114 6.513 11.824 4.635 1.00 0.00 C ATOM 1728 CG ASP A 114 6.777 11.060 5.931 1.00 0.00 C ATOM 1729 OD1 ASP A 114 5.913 11.020 6.835 1.00 0.00 O ATOM 1730 OD2 ASP A 114 7.853 10.423 5.993 1.00 0.00 O ATOM 0 H ASP A 114 5.498 13.212 2.661 1.00 0.00 H new ATOM 0 HA ASP A 114 4.520 11.241 4.624 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.861 11.226 3.792 1.00 0.00 H new ATOM 0 HB3 ASP A 114 7.099 12.743 4.638 1.00 0.00 H new ATOM 1735 N LEU A 115 3.226 13.192 5.522 1.00 0.00 N ATOM 1736 CA LEU A 115 2.440 14.143 6.280 1.00 0.00 C ATOM 1737 C LEU A 115 2.192 13.594 7.683 1.00 0.00 C ATOM 1738 O LEU A 115 1.157 13.879 8.288 1.00 0.00 O ATOM 1739 CB LEU A 115 1.135 14.444 5.531 1.00 0.00 C ATOM 1740 CG LEU A 115 1.340 14.764 4.038 1.00 0.00 C ATOM 1741 CD1 LEU A 115 -0.010 15.012 3.367 1.00 0.00 C ATOM 1742 CD2 LEU A 115 2.264 15.964 3.823 1.00 0.00 C ATOM 0 H LEU A 115 2.652 12.474 5.080 1.00 0.00 H new ATOM 0 HA LEU A 115 2.979 15.084 6.386 1.00 0.00 H new ATOM 0 HB2 LEU A 115 0.468 13.587 5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.637 15.287 6.010 1.00 0.00 H new ATOM 0 HG LEU A 115 1.823 13.899 3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 115 0.144 15.238 2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.632 14.122 3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.507 15.854 3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.377 16.149 2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.834 16.844 4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.240 15.754 4.260 1.00 0.00 H new ATOM 1754 N MET A 116 3.087 12.730 8.171 1.00 0.00 N ATOM 1755 CA MET A 116 2.975 12.208 9.523 1.00 0.00 C ATOM 1756 C MET A 116 2.927 13.358 10.529 1.00 0.00 C ATOM 1757 O MET A 116 3.730 14.289 10.468 1.00 0.00 O ATOM 1758 CB MET A 116 4.140 11.270 9.850 1.00 0.00 C ATOM 1759 CG MET A 116 3.787 9.799 9.633 1.00 0.00 C ATOM 1760 SD MET A 116 3.161 8.905 11.093 1.00 0.00 S ATOM 1761 CE MET A 116 1.740 9.888 11.625 1.00 0.00 C ATOM 0 H MET A 116 3.891 12.383 7.648 1.00 0.00 H new ATOM 0 HA MET A 116 2.050 11.636 9.590 1.00 0.00 H new ATOM 0 HB2 MET A 116 4.997 11.530 9.228 1.00 0.00 H new ATOM 0 HB3 MET A 116 4.442 11.419 10.887 1.00 0.00 H new ATOM 0 HG2 MET A 116 3.037 9.738 8.845 1.00 0.00 H new ATOM 0 HG3 MET A 116 4.675 9.283 9.268 1.00 0.00 H new ATOM 0 HE1 MET A 116 1.136 9.307 12.322 1.00 0.00 H new ATOM 0 HE2 MET A 116 2.089 10.796 12.117 1.00 0.00 H new ATOM 0 HE3 MET A 116 1.137 10.155 10.757 1.00 0.00 H new ATOM 1771 N ASN A 117 1.973 13.279 11.453 1.00 0.00 N ATOM 1772 CA ASN A 117 1.903 14.108 12.649 1.00 0.00 C ATOM 1773 C ASN A 117 2.841 13.565 13.732 1.00 0.00 C ATOM 1774 O ASN A 117 3.962 13.121 13.450 1.00 0.00 O ATOM 1775 CB ASN A 117 0.454 14.159 13.153 1.00 0.00 C ATOM 1776 CG ASN A 117 -0.060 12.811 13.645 1.00 0.00 C ATOM 1777 OD1 ASN A 117 0.374 12.297 14.664 1.00 0.00 O ATOM 1778 ND2 ASN A 117 -0.959 12.177 12.916 1.00 0.00 N ATOM 0 H ASN A 117 1.203 12.614 11.386 1.00 0.00 H new ATOM 0 HA ASN A 117 2.226 15.120 12.405 1.00 0.00 H new ATOM 0 HB2 ASN A 117 0.384 14.885 13.963 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -0.191 14.515 12.349 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -1.292 11.257 13.204 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -1.321 12.607 12.065 1.00 0.00 H new TER 1785 ASN A 117