USER MOD reduce.3.24.130724 H: found=0, std=0, add=1019, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1021 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 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 127 TYR OH : rot 35:sc= 1.12 USER MOD Set 2.1: A 33 GLN : amide:sc= -3.33! C(o=-4.3!,f=-3.8!) USER MOD Set 2.2: A 37 GLN : amide:sc= -1 K(o=-4.3,f=-3.2) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 31:sc= 0.288 USER MOD Single : A 12 LYS NZ :NH3+ -175:sc= -0.0915 (180deg=-0.105) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.212 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 32:sc= 0.594 USER MOD Single : A 31 THR OG1 : rot -109:sc= 0.31 USER MOD Single : A 32 THR OG1 : rot -120:sc= -1.04 USER MOD Single : A 40 THR OG1 : rot -58:sc= -0.364 USER MOD Single : A 41 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.66) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 142:sc= 0.281 (180deg=0.000803) USER MOD Single : A 55 HIS : no HE2:sc= -10! C(o=-10!,f=-14!) USER MOD Single : A 56 MET CE :methyl 138:sc= 0 (180deg=-0.829) USER MOD Single : A 60 ASN : amide:sc= 0.708 K(o=0.71,f=-2.6!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -6:sc= 0.835 USER MOD Single : A 72 LYS NZ :NH3+ -162:sc= -0.0898 (180deg=-0.543) USER MOD Single : A 73 HIS : no HD1:sc= -12.4! C(o=-12!,f=-7.9!) USER MOD Single : A 77 LYS NZ :NH3+ -166:sc= 0.163 (180deg=0.12) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.763 K(o=-0.76,f=-1.5) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -160:sc= -2.15! USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0475 USER MOD Single : A 98 LYS NZ :NH3+ -173:sc= 0.0498 (180deg=0.0448) USER MOD Single : A 99 ASN : amide:sc= 0.226 X(o=0.23,f=0) USER MOD Single : A 102 THR OG1 : rot 57:sc= 0.53 USER MOD Single : A 105 CYS SG : rot 180:sc= -1.52 USER MOD Single : A 106 MET CE :methyl 157:sc= -1.3 (180deg=-2.84!) USER MOD Single : A 119 THR OG1 : rot 81:sc= 1.01 USER MOD Single : A 121 GLN : amide:sc= -0.135 K(o=-0.13,f=-1.3) USER MOD Single : A 124 GLN : amide:sc= -1.76 K(o=-1.8,f=-2.4) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ -170:sc= -0.147 (180deg=-0.148) USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 THR OG1 : rot 97:sc= 0.108 USER MOD Single : A 137 TYR OH : rot 60:sc= -0.58 USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 19.833 -0.049 5.949 1.00 0.00 N ATOM 67 CA ILE A 8 18.746 -0.981 6.224 1.00 0.00 C ATOM 68 C ILE A 8 18.251 -1.642 4.942 1.00 0.00 C ATOM 69 O ILE A 8 18.093 -0.999 3.904 1.00 0.00 O ATOM 70 CB ILE A 8 17.563 -0.278 6.916 1.00 0.00 C ATOM 71 CG1 ILE A 8 17.710 -0.362 8.437 1.00 0.00 C ATOM 72 CG2 ILE A 8 16.246 -0.895 6.470 1.00 0.00 C ATOM 73 CD1 ILE A 8 16.390 -0.315 9.175 1.00 0.00 C ATOM 0 HA ILE A 8 19.146 -1.744 6.892 1.00 0.00 H new ATOM 0 HB ILE A 8 17.565 0.773 6.628 1.00 0.00 H new ATOM 0 HG12 ILE A 8 18.228 -1.286 8.693 1.00 0.00 H new ATOM 0 HG13 ILE A 8 18.338 0.461 8.779 1.00 0.00 H new ATOM 0 HG21 ILE A 8 15.420 -0.388 6.968 1.00 0.00 H new ATOM 0 HG22 ILE A 8 16.141 -0.787 5.390 1.00 0.00 H new ATOM 0 HG23 ILE A 8 16.233 -1.953 6.732 1.00 0.00 H new ATOM 0 HD11 ILE A 8 16.571 -0.379 10.248 1.00 0.00 H new ATOM 0 HD12 ILE A 8 15.879 0.621 8.948 1.00 0.00 H new ATOM 0 HD13 ILE A 8 15.768 -1.153 8.861 1.00 0.00 H new ATOM 85 N PRO A 9 17.998 -2.957 5.014 1.00 0.00 N ATOM 86 CA PRO A 9 17.514 -3.734 3.869 1.00 0.00 C ATOM 87 C PRO A 9 16.024 -3.531 3.619 1.00 0.00 C ATOM 88 O PRO A 9 15.254 -3.293 4.549 1.00 0.00 O ATOM 89 CB PRO A 9 17.795 -5.182 4.279 1.00 0.00 C ATOM 90 CG PRO A 9 17.764 -5.167 5.769 1.00 0.00 C ATOM 91 CD PRO A 9 18.164 -3.787 6.220 1.00 0.00 C ATOM 0 HA PRO A 9 18.001 -3.437 2.940 1.00 0.00 H new ATOM 0 HB2 PRO A 9 17.044 -5.861 3.874 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.763 -5.518 3.907 1.00 0.00 H new ATOM 0 HG2 PRO A 9 16.767 -5.415 6.134 1.00 0.00 H new ATOM 0 HG3 PRO A 9 18.446 -5.915 6.174 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.534 -3.435 7.037 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.193 -3.767 6.580 1.00 0.00 H new ATOM 99 N THR A 10 15.623 -3.626 2.355 1.00 0.00 N ATOM 100 CA THR A 10 14.225 -3.452 1.982 1.00 0.00 C ATOM 101 C THR A 10 13.826 -4.423 0.875 1.00 0.00 C ATOM 102 O THR A 10 14.651 -5.198 0.389 1.00 0.00 O ATOM 103 CB THR A 10 13.944 -2.013 1.512 1.00 0.00 C ATOM 104 OG1 THR A 10 14.721 -1.717 0.346 1.00 0.00 O ATOM 105 CG2 THR A 10 14.267 -1.012 2.611 1.00 0.00 C ATOM 0 H THR A 10 16.247 -3.823 1.572 1.00 0.00 H new ATOM 0 HA THR A 10 13.632 -3.658 2.873 1.00 0.00 H new ATOM 0 HB THR A 10 12.884 -1.934 1.271 1.00 0.00 H new ATOM 0 HG1 THR A 10 14.535 -0.801 0.053 1.00 0.00 H new ATOM 0 HG21 THR A 10 14.061 -0.002 2.256 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.652 -1.222 3.486 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.320 -1.094 2.880 1.00 0.00 H new ATOM 113 N CYS A 11 12.558 -4.375 0.481 1.00 0.00 N ATOM 114 CA CYS A 11 12.050 -5.250 -0.569 1.00 0.00 C ATOM 115 C CYS A 11 10.848 -4.623 -1.266 1.00 0.00 C ATOM 116 O CYS A 11 10.449 -3.501 -0.951 1.00 0.00 O ATOM 117 CB CYS A 11 11.665 -6.610 0.015 1.00 0.00 C ATOM 118 SG CYS A 11 13.004 -7.825 0.003 1.00 0.00 S ATOM 0 H CYS A 11 11.863 -3.739 0.873 1.00 0.00 H new ATOM 0 HA CYS A 11 12.841 -5.390 -1.306 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.326 -6.470 1.041 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.821 -7.009 -0.548 1.00 0.00 H new ATOM 0 HG CYS A 11 14.145 -7.215 0.129 1.00 0.00 H new ATOM 124 N LYS A 12 10.273 -5.353 -2.215 1.00 0.00 N ATOM 125 CA LYS A 12 9.116 -4.869 -2.958 1.00 0.00 C ATOM 126 C LYS A 12 7.845 -5.585 -2.513 1.00 0.00 C ATOM 127 O LYS A 12 7.865 -6.782 -2.221 1.00 0.00 O ATOM 128 CB LYS A 12 9.327 -5.070 -4.460 1.00 0.00 C ATOM 129 CG LYS A 12 8.137 -4.649 -5.304 1.00 0.00 C ATOM 130 CD LYS A 12 8.347 -4.985 -6.771 1.00 0.00 C ATOM 131 CE LYS A 12 9.035 -3.848 -7.510 1.00 0.00 C ATOM 132 NZ LYS A 12 8.098 -2.729 -7.803 1.00 0.00 N ATOM 0 H LYS A 12 10.590 -6.283 -2.488 1.00 0.00 H new ATOM 0 HA LYS A 12 9.004 -3.804 -2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.203 -4.503 -4.774 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.543 -6.121 -4.650 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.238 -5.147 -4.941 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.974 -3.577 -5.195 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.947 -5.891 -6.856 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.385 -5.195 -7.239 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.867 -3.477 -6.912 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.455 -4.223 -8.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.583 -2.013 -8.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.274 -3.093 -8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.782 -2.298 -6.911 1.00 0.00 H new ATOM 146 N ILE A 13 6.741 -4.847 -2.464 1.00 0.00 N ATOM 147 CA ILE A 13 5.461 -5.413 -2.056 1.00 0.00 C ATOM 148 C ILE A 13 4.405 -5.220 -3.139 1.00 0.00 C ATOM 149 O ILE A 13 3.659 -4.240 -3.126 1.00 0.00 O ATOM 150 CB ILE A 13 4.958 -4.782 -0.745 1.00 0.00 C ATOM 151 CG1 ILE A 13 5.957 -5.037 0.386 1.00 0.00 C ATOM 152 CG2 ILE A 13 3.588 -5.335 -0.383 1.00 0.00 C ATOM 153 CD1 ILE A 13 5.992 -6.477 0.847 1.00 0.00 C ATOM 0 H ILE A 13 6.707 -3.856 -2.702 1.00 0.00 H new ATOM 0 HA ILE A 13 5.624 -6.479 -1.896 1.00 0.00 H new ATOM 0 HB ILE A 13 4.868 -3.705 -0.889 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.953 -4.746 0.053 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.705 -4.399 1.233 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.246 -4.879 0.546 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.881 -5.107 -1.181 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.654 -6.415 -0.255 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.722 -6.584 1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.006 -6.766 1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.273 -7.119 0.013 1.00 0.00 H new ATOM 165 N THR A 14 4.345 -6.161 -4.075 1.00 0.00 N ATOM 166 CA THR A 14 3.380 -6.095 -5.165 1.00 0.00 C ATOM 167 C THR A 14 2.133 -6.913 -4.846 1.00 0.00 C ATOM 168 O THR A 14 2.194 -8.138 -4.736 1.00 0.00 O ATOM 169 CB THR A 14 3.988 -6.603 -6.486 1.00 0.00 C ATOM 170 OG1 THR A 14 5.398 -6.353 -6.503 1.00 0.00 O ATOM 171 CG2 THR A 14 3.333 -5.924 -7.680 1.00 0.00 C ATOM 0 H THR A 14 4.954 -6.979 -4.100 1.00 0.00 H new ATOM 0 HA THR A 14 3.105 -5.047 -5.280 1.00 0.00 H new ATOM 0 HB THR A 14 3.808 -7.676 -6.555 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.778 -6.680 -7.345 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.779 -6.299 -8.601 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.264 -6.139 -7.680 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.486 -4.847 -7.615 1.00 0.00 H new ATOM 179 N LEU A 15 1.004 -6.229 -4.699 1.00 0.00 N ATOM 180 CA LEU A 15 -0.258 -6.893 -4.394 1.00 0.00 C ATOM 181 C LEU A 15 -1.327 -6.528 -5.419 1.00 0.00 C ATOM 182 O LEU A 15 -1.650 -5.355 -5.606 1.00 0.00 O ATOM 183 CB LEU A 15 -0.731 -6.511 -2.989 1.00 0.00 C ATOM 184 CG LEU A 15 0.320 -6.597 -1.881 1.00 0.00 C ATOM 185 CD1 LEU A 15 -0.088 -5.742 -0.692 1.00 0.00 C ATOM 186 CD2 LEU A 15 0.527 -8.043 -1.455 1.00 0.00 C ATOM 0 H LEU A 15 0.937 -5.215 -4.786 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.093 -7.970 -4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.114 -5.491 -3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.567 -7.157 -2.720 1.00 0.00 H new ATOM 0 HG LEU A 15 1.264 -6.215 -2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.671 -5.815 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.185 -4.703 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.043 -6.094 -0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.278 -8.086 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.413 -8.451 -1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.865 -8.629 -2.310 1.00 0.00 H new ATOM 198 N LYS A 16 -1.876 -7.542 -6.079 1.00 0.00 N ATOM 199 CA LYS A 16 -2.912 -7.330 -7.083 1.00 0.00 C ATOM 200 C LYS A 16 -4.212 -8.018 -6.678 1.00 0.00 C ATOM 201 O LYS A 16 -4.317 -9.243 -6.726 1.00 0.00 O ATOM 202 CB LYS A 16 -2.448 -7.856 -8.444 1.00 0.00 C ATOM 203 CG LYS A 16 -1.332 -7.034 -9.065 1.00 0.00 C ATOM 204 CD LYS A 16 -0.901 -7.601 -10.407 1.00 0.00 C ATOM 205 CE LYS A 16 0.569 -7.326 -10.683 1.00 0.00 C ATOM 206 NZ LYS A 16 1.009 -7.911 -11.979 1.00 0.00 N ATOM 0 H LYS A 16 -1.621 -8.519 -5.937 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.096 -6.258 -7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.109 -8.886 -8.330 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.298 -7.874 -9.126 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.666 -6.005 -9.195 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.478 -7.009 -8.388 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.080 -8.676 -10.423 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.509 -7.164 -11.200 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.741 -6.250 -10.693 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.173 -7.738 -9.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.016 -7.702 -12.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.868 -8.941 -11.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.450 -7.499 -12.753 1.00 0.00 H new ATOM 220 N GLU A 17 -5.199 -7.221 -6.280 1.00 0.00 N ATOM 221 CA GLU A 17 -6.491 -7.755 -5.867 1.00 0.00 C ATOM 222 C GLU A 17 -7.631 -7.039 -6.586 1.00 0.00 C ATOM 223 O GLU A 17 -7.581 -5.827 -6.802 1.00 0.00 O ATOM 224 CB GLU A 17 -6.664 -7.619 -4.353 1.00 0.00 C ATOM 225 CG GLU A 17 -7.586 -8.665 -3.749 1.00 0.00 C ATOM 226 CD GLU A 17 -7.254 -8.969 -2.301 1.00 0.00 C ATOM 227 OE1 GLU A 17 -6.261 -9.685 -2.058 1.00 0.00 O ATOM 228 OE2 GLU A 17 -7.988 -8.491 -1.411 1.00 0.00 O ATOM 0 H GLU A 17 -5.128 -6.204 -6.235 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.521 -8.811 -6.136 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.686 -7.690 -3.876 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.057 -6.627 -4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.617 -8.317 -3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.520 -9.583 -4.333 1.00 0.00 H new ATOM 235 N THR A 18 -8.658 -7.796 -6.957 1.00 0.00 N ATOM 236 CA THR A 18 -9.810 -7.236 -7.653 1.00 0.00 C ATOM 237 C THR A 18 -10.894 -6.813 -6.669 1.00 0.00 C ATOM 238 O THR A 18 -11.046 -7.408 -5.603 1.00 0.00 O ATOM 239 CB THR A 18 -10.405 -8.243 -8.654 1.00 0.00 C ATOM 240 OG1 THR A 18 -9.358 -8.853 -9.417 1.00 0.00 O ATOM 241 CG2 THR A 18 -11.389 -7.557 -9.591 1.00 0.00 C ATOM 0 H THR A 18 -8.716 -8.800 -6.787 1.00 0.00 H new ATOM 0 HA THR A 18 -9.456 -6.361 -8.197 1.00 0.00 H new ATOM 0 HB THR A 18 -10.937 -9.010 -8.091 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.745 -9.493 -10.050 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.797 -8.288 -10.289 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.200 -7.119 -9.009 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.876 -6.772 -10.146 1.00 0.00 H new ATOM 249 N PHE A 19 -11.648 -5.780 -7.034 1.00 0.00 N ATOM 250 CA PHE A 19 -12.719 -5.277 -6.183 1.00 0.00 C ATOM 251 C PHE A 19 -14.061 -5.333 -6.908 1.00 0.00 C ATOM 252 O PHE A 19 -14.141 -5.084 -8.111 1.00 0.00 O ATOM 253 CB PHE A 19 -12.421 -3.841 -5.747 1.00 0.00 C ATOM 254 CG PHE A 19 -11.330 -3.740 -4.721 1.00 0.00 C ATOM 255 CD1 PHE A 19 -10.000 -3.865 -5.089 1.00 0.00 C ATOM 256 CD2 PHE A 19 -11.633 -3.520 -3.387 1.00 0.00 C ATOM 257 CE1 PHE A 19 -8.994 -3.773 -4.146 1.00 0.00 C ATOM 258 CE2 PHE A 19 -10.631 -3.427 -2.439 1.00 0.00 C ATOM 259 CZ PHE A 19 -9.310 -3.553 -2.820 1.00 0.00 C ATOM 0 H PHE A 19 -11.536 -5.276 -7.914 1.00 0.00 H new ATOM 0 HA PHE A 19 -12.777 -5.913 -5.299 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.141 -3.255 -6.622 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -13.331 -3.396 -5.343 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.747 -4.036 -6.125 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.665 -3.420 -3.084 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.961 -3.873 -4.446 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.881 -3.256 -1.402 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.525 -3.480 -2.082 1.00 0.00 H new ATOM 269 N LEU A 20 -15.113 -5.662 -6.167 1.00 0.00 N ATOM 270 CA LEU A 20 -16.453 -5.751 -6.737 1.00 0.00 C ATOM 271 C LEU A 20 -17.084 -4.369 -6.864 1.00 0.00 C ATOM 272 O LEU A 20 -18.275 -4.191 -6.604 1.00 0.00 O ATOM 273 CB LEU A 20 -17.338 -6.651 -5.873 1.00 0.00 C ATOM 274 CG LEU A 20 -17.071 -8.153 -5.976 1.00 0.00 C ATOM 275 CD1 LEU A 20 -17.397 -8.659 -7.373 1.00 0.00 C ATOM 276 CD2 LEU A 20 -15.625 -8.464 -5.618 1.00 0.00 C ATOM 0 H LEU A 20 -15.064 -5.872 -5.170 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.368 -6.184 -7.734 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.219 -6.352 -4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.379 -6.468 -6.140 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.719 -8.667 -5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.201 -9.730 -7.427 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.448 -8.471 -7.592 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.776 -8.139 -8.102 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -15.453 -9.538 -5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.960 -7.939 -6.303 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.425 -8.139 -4.597 1.00 0.00 H new ATOM 288 N THR A 21 -16.279 -3.390 -7.266 1.00 0.00 N ATOM 289 CA THR A 21 -16.759 -2.024 -7.429 1.00 0.00 C ATOM 290 C THR A 21 -16.024 -1.314 -8.560 1.00 0.00 C ATOM 291 O THR A 21 -15.003 -1.797 -9.049 1.00 0.00 O ATOM 292 CB THR A 21 -16.588 -1.211 -6.132 1.00 0.00 C ATOM 293 OG1 THR A 21 -17.457 -0.073 -6.149 1.00 0.00 O ATOM 294 CG2 THR A 21 -15.147 -0.752 -5.966 1.00 0.00 C ATOM 0 H THR A 21 -15.291 -3.519 -7.485 1.00 0.00 H new ATOM 0 HA THR A 21 -17.819 -2.088 -7.673 1.00 0.00 H new ATOM 0 HB THR A 21 -16.847 -1.853 -5.290 1.00 0.00 H new ATOM 0 HG1 THR A 21 -17.344 0.438 -5.320 1.00 0.00 H new ATOM 0 HG21 THR A 21 -15.051 -0.180 -5.043 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.491 -1.621 -5.924 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.865 -0.125 -6.812 1.00 0.00 H new ATOM 302 N SER A 22 -16.550 -0.165 -8.972 1.00 0.00 N ATOM 303 CA SER A 22 -15.945 0.610 -10.049 1.00 0.00 C ATOM 304 C SER A 22 -14.750 1.409 -9.539 1.00 0.00 C ATOM 305 O SER A 22 -14.667 1.767 -8.364 1.00 0.00 O ATOM 306 CB SER A 22 -16.977 1.554 -10.669 1.00 0.00 C ATOM 307 OG SER A 22 -17.706 0.908 -11.698 1.00 0.00 O ATOM 0 H SER A 22 -17.394 0.250 -8.576 1.00 0.00 H new ATOM 0 HA SER A 22 -15.596 -0.086 -10.812 1.00 0.00 H new ATOM 0 HB2 SER A 22 -17.663 1.905 -9.898 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.474 2.433 -11.072 1.00 0.00 H new ATOM 0 HG SER A 22 -18.360 1.532 -12.077 1.00 0.00 H new ATOM 313 N PRO A 23 -13.801 1.696 -10.442 1.00 0.00 N ATOM 314 CA PRO A 23 -12.594 2.457 -10.108 1.00 0.00 C ATOM 315 C PRO A 23 -12.906 3.723 -9.319 1.00 0.00 C ATOM 316 O PRO A 23 -12.448 3.890 -8.189 1.00 0.00 O ATOM 317 CB PRO A 23 -12.007 2.810 -11.477 1.00 0.00 C ATOM 318 CG PRO A 23 -12.506 1.744 -12.390 1.00 0.00 C ATOM 319 CD PRO A 23 -13.835 1.301 -11.861 1.00 0.00 C ATOM 0 HA PRO A 23 -11.916 1.887 -9.473 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.333 3.797 -11.805 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.918 2.828 -11.448 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.603 2.122 -13.408 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.807 0.908 -12.425 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -14.657 1.783 -12.390 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -13.971 0.225 -11.973 1.00 0.00 H new ATOM 327 N GLU A 24 -13.688 4.613 -9.922 1.00 0.00 N ATOM 328 CA GLU A 24 -14.061 5.865 -9.274 1.00 0.00 C ATOM 329 C GLU A 24 -14.416 5.634 -7.808 1.00 0.00 C ATOM 330 O GLU A 24 -13.854 6.268 -6.916 1.00 0.00 O ATOM 331 CB GLU A 24 -15.243 6.510 -10.001 1.00 0.00 C ATOM 332 CG GLU A 24 -16.453 5.599 -10.123 1.00 0.00 C ATOM 333 CD GLU A 24 -17.487 6.130 -11.097 1.00 0.00 C ATOM 334 OE1 GLU A 24 -17.703 7.360 -11.120 1.00 0.00 O ATOM 335 OE2 GLU A 24 -18.080 5.316 -11.834 1.00 0.00 O ATOM 0 H GLU A 24 -14.075 4.490 -10.858 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.205 6.538 -9.321 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.534 7.417 -9.471 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.924 6.812 -10.999 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.128 4.611 -10.447 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.912 5.478 -9.142 1.00 0.00 H new ATOM 342 N GLU A 25 -15.354 4.723 -7.569 1.00 0.00 N ATOM 343 CA GLU A 25 -15.786 4.410 -6.212 1.00 0.00 C ATOM 344 C GLU A 25 -14.587 4.110 -5.316 1.00 0.00 C ATOM 345 O GLU A 25 -14.491 4.618 -4.198 1.00 0.00 O ATOM 346 CB GLU A 25 -16.742 3.215 -6.220 1.00 0.00 C ATOM 347 CG GLU A 25 -17.734 3.222 -5.069 1.00 0.00 C ATOM 348 CD GLU A 25 -18.324 4.596 -4.816 1.00 0.00 C ATOM 349 OE1 GLU A 25 -18.734 5.256 -5.794 1.00 0.00 O ATOM 350 OE2 GLU A 25 -18.377 5.010 -3.639 1.00 0.00 O ATOM 0 H GLU A 25 -15.829 4.189 -8.297 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.308 5.280 -5.814 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -17.291 3.206 -7.162 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.160 2.294 -6.181 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -18.539 2.519 -5.284 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -17.237 2.872 -4.164 1.00 0.00 H new ATOM 357 N LEU A 26 -13.676 3.281 -5.813 1.00 0.00 N ATOM 358 CA LEU A 26 -12.484 2.912 -5.059 1.00 0.00 C ATOM 359 C LEU A 26 -11.461 4.043 -5.070 1.00 0.00 C ATOM 360 O LEU A 26 -10.467 4.003 -4.344 1.00 0.00 O ATOM 361 CB LEU A 26 -11.862 1.641 -5.639 1.00 0.00 C ATOM 362 CG LEU A 26 -10.859 0.914 -4.742 1.00 0.00 C ATOM 363 CD1 LEU A 26 -11.542 0.403 -3.483 1.00 0.00 C ATOM 364 CD2 LEU A 26 -10.202 -0.232 -5.497 1.00 0.00 C ATOM 0 H LEU A 26 -13.740 2.851 -6.736 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.781 2.725 -4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.666 0.948 -5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.363 1.898 -6.573 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.083 1.621 -4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.813 -0.112 -2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.965 1.243 -2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.338 -0.289 -3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.491 -0.738 -4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.965 -0.940 -5.820 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.678 0.160 -6.369 1.00 0.00 H new ATOM 376 N TYR A 27 -11.711 5.052 -5.897 1.00 0.00 N ATOM 377 CA TYR A 27 -10.812 6.195 -6.002 1.00 0.00 C ATOM 378 C TYR A 27 -10.860 7.045 -4.737 1.00 0.00 C ATOM 379 O TYR A 27 -9.849 7.606 -4.314 1.00 0.00 O ATOM 380 CB TYR A 27 -11.179 7.049 -7.218 1.00 0.00 C ATOM 381 CG TYR A 27 -10.139 8.092 -7.561 1.00 0.00 C ATOM 382 CD1 TYR A 27 -8.783 7.796 -7.499 1.00 0.00 C ATOM 383 CD2 TYR A 27 -10.513 9.373 -7.946 1.00 0.00 C ATOM 384 CE1 TYR A 27 -7.830 8.746 -7.811 1.00 0.00 C ATOM 385 CE2 TYR A 27 -9.567 10.329 -8.262 1.00 0.00 C ATOM 386 CZ TYR A 27 -8.227 10.010 -8.192 1.00 0.00 C ATOM 387 OH TYR A 27 -7.281 10.960 -8.504 1.00 0.00 O ATOM 0 H TYR A 27 -12.529 5.102 -6.504 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.797 5.816 -6.124 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.325 6.397 -8.079 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.131 7.545 -7.029 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.469 6.806 -7.202 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.562 9.626 -7.999 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.780 8.500 -7.757 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.875 11.320 -8.562 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.497 10.524 -8.897 1.00 0.00 H new ATOM 397 N ARG A 28 -12.042 7.135 -4.136 1.00 0.00 N ATOM 398 CA ARG A 28 -12.224 7.916 -2.919 1.00 0.00 C ATOM 399 C ARG A 28 -11.818 7.109 -1.689 1.00 0.00 C ATOM 400 O ARG A 28 -11.071 7.590 -0.837 1.00 0.00 O ATOM 401 CB ARG A 28 -13.680 8.367 -2.789 1.00 0.00 C ATOM 402 CG ARG A 28 -14.384 8.543 -4.125 1.00 0.00 C ATOM 403 CD ARG A 28 -15.300 7.369 -4.431 1.00 0.00 C ATOM 404 NE ARG A 28 -16.465 7.773 -5.213 1.00 0.00 N ATOM 405 CZ ARG A 28 -16.391 8.239 -6.454 1.00 0.00 C ATOM 406 NH1 ARG A 28 -15.214 8.360 -7.052 1.00 0.00 N ATOM 407 NH2 ARG A 28 -17.497 8.586 -7.101 1.00 0.00 N ATOM 0 H ARG A 28 -12.888 6.676 -4.473 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.583 8.795 -2.983 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.226 7.636 -2.193 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.712 9.310 -2.244 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.965 9.465 -4.113 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.643 8.644 -4.918 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -14.743 6.608 -4.977 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.630 6.914 -3.497 1.00 0.00 H new ATOM 0 HE ARG A 28 -17.386 7.693 -4.782 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -14.362 8.095 -6.559 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.161 8.718 -8.005 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -18.405 8.495 -6.645 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -17.439 8.944 -8.054 1.00 0.00 H new ATOM 421 N VAL A 29 -12.316 5.880 -1.604 1.00 0.00 N ATOM 422 CA VAL A 29 -12.005 5.006 -0.479 1.00 0.00 C ATOM 423 C VAL A 29 -10.534 5.111 -0.091 1.00 0.00 C ATOM 424 O VAL A 29 -10.168 4.889 1.063 1.00 0.00 O ATOM 425 CB VAL A 29 -12.336 3.536 -0.802 1.00 0.00 C ATOM 426 CG1 VAL A 29 -12.034 2.645 0.393 1.00 0.00 C ATOM 427 CG2 VAL A 29 -13.790 3.399 -1.226 1.00 0.00 C ATOM 0 H VAL A 29 -12.936 5.467 -2.300 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.622 5.335 0.357 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.707 3.214 -1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.274 1.611 0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.976 2.721 0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.635 2.963 1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.007 2.355 -1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -14.438 3.739 -0.418 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.969 4.005 -2.114 1.00 0.00 H new ATOM 437 N PHE A 30 -9.695 5.451 -1.064 1.00 0.00 N ATOM 438 CA PHE A 30 -8.262 5.585 -0.824 1.00 0.00 C ATOM 439 C PHE A 30 -7.865 7.054 -0.714 1.00 0.00 C ATOM 440 O PHE A 30 -6.860 7.393 -0.088 1.00 0.00 O ATOM 441 CB PHE A 30 -7.471 4.914 -1.949 1.00 0.00 C ATOM 442 CG PHE A 30 -7.345 3.426 -1.788 1.00 0.00 C ATOM 443 CD1 PHE A 30 -8.353 2.581 -2.224 1.00 0.00 C ATOM 444 CD2 PHE A 30 -6.220 2.872 -1.200 1.00 0.00 C ATOM 445 CE1 PHE A 30 -8.241 1.211 -2.078 1.00 0.00 C ATOM 446 CE2 PHE A 30 -6.102 1.503 -1.051 1.00 0.00 C ATOM 447 CZ PHE A 30 -7.114 0.672 -1.490 1.00 0.00 C ATOM 0 H PHE A 30 -9.982 5.639 -2.025 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.028 5.092 0.120 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.956 5.129 -2.901 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.474 5.352 -1.993 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.237 2.998 -2.684 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.426 3.517 -0.854 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.033 0.564 -2.423 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.219 1.083 -0.592 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.024 -0.398 -1.374 1.00 0.00 H new ATOM 457 N THR A 31 -8.661 7.924 -1.328 1.00 0.00 N ATOM 458 CA THR A 31 -8.393 9.357 -1.301 1.00 0.00 C ATOM 459 C THR A 31 -9.441 10.097 -0.478 1.00 0.00 C ATOM 460 O THR A 31 -9.759 11.254 -0.754 1.00 0.00 O ATOM 461 CB THR A 31 -8.361 9.949 -2.723 1.00 0.00 C ATOM 462 OG1 THR A 31 -9.671 9.909 -3.300 1.00 0.00 O ATOM 463 CG2 THR A 31 -7.389 9.183 -3.607 1.00 0.00 C ATOM 0 H THR A 31 -9.497 7.661 -1.850 1.00 0.00 H new ATOM 0 HA THR A 31 -7.414 9.487 -0.839 1.00 0.00 H new ATOM 0 HB THR A 31 -8.026 10.984 -2.654 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.696 9.231 -4.007 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.384 9.620 -4.606 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.387 9.240 -3.181 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.698 8.140 -3.669 1.00 0.00 H new ATOM 471 N THR A 32 -9.974 9.423 0.536 1.00 0.00 N ATOM 472 CA THR A 32 -10.987 10.017 1.400 1.00 0.00 C ATOM 473 C THR A 32 -10.807 9.569 2.846 1.00 0.00 C ATOM 474 O THR A 32 -11.008 8.400 3.172 1.00 0.00 O ATOM 475 CB THR A 32 -12.408 9.650 0.934 1.00 0.00 C ATOM 476 OG1 THR A 32 -12.563 9.958 -0.456 1.00 0.00 O ATOM 477 CG2 THR A 32 -13.454 10.401 1.744 1.00 0.00 C ATOM 0 H THR A 32 -9.721 8.465 0.779 1.00 0.00 H new ATOM 0 HA THR A 32 -10.861 11.098 1.339 1.00 0.00 H new ATOM 0 HB THR A 32 -12.551 8.580 1.087 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.287 10.609 -0.568 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.450 10.126 1.397 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.353 10.142 2.798 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.310 11.474 1.618 1.00 0.00 H new ATOM 485 N GLN A 33 -10.428 10.507 3.708 1.00 0.00 N ATOM 486 CA GLN A 33 -10.222 10.207 5.120 1.00 0.00 C ATOM 487 C GLN A 33 -11.404 9.430 5.690 1.00 0.00 C ATOM 488 O GLN A 33 -11.250 8.302 6.157 1.00 0.00 O ATOM 489 CB GLN A 33 -10.016 11.499 5.913 1.00 0.00 C ATOM 490 CG GLN A 33 -9.894 11.280 7.412 1.00 0.00 C ATOM 491 CD GLN A 33 -9.487 12.538 8.155 1.00 0.00 C ATOM 492 OE1 GLN A 33 -9.167 13.558 7.543 1.00 0.00 O ATOM 493 NE2 GLN A 33 -9.496 12.472 9.481 1.00 0.00 N ATOM 0 H GLN A 33 -10.258 11.480 3.454 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.328 9.589 5.207 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.116 11.997 5.553 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.852 12.171 5.719 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.848 10.925 7.802 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.160 10.497 7.602 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.768 11.606 9.947 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.231 13.287 10.034 1.00 0.00 H new ATOM 502 N GLU A 34 -12.584 10.042 5.649 1.00 0.00 N ATOM 503 CA GLU A 34 -13.791 9.407 6.163 1.00 0.00 C ATOM 504 C GLU A 34 -13.867 7.947 5.725 1.00 0.00 C ATOM 505 O GLU A 34 -13.855 7.037 6.555 1.00 0.00 O ATOM 506 CB GLU A 34 -15.034 10.159 5.683 1.00 0.00 C ATOM 507 CG GLU A 34 -16.341 9.493 6.081 1.00 0.00 C ATOM 508 CD GLU A 34 -16.860 9.981 7.419 1.00 0.00 C ATOM 509 OE1 GLU A 34 -16.578 11.145 7.776 1.00 0.00 O ATOM 510 OE2 GLU A 34 -17.548 9.201 8.109 1.00 0.00 O ATOM 0 H GLU A 34 -12.729 10.976 5.265 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.752 9.441 7.252 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.014 11.171 6.087 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.997 10.248 4.597 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -17.091 9.684 5.313 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.196 8.413 6.123 1.00 0.00 H new ATOM 517 N LEU A 35 -13.945 7.731 4.417 1.00 0.00 N ATOM 518 CA LEU A 35 -14.023 6.382 3.867 1.00 0.00 C ATOM 519 C LEU A 35 -12.960 5.480 4.486 1.00 0.00 C ATOM 520 O LEU A 35 -13.183 4.285 4.684 1.00 0.00 O ATOM 521 CB LEU A 35 -13.855 6.419 2.347 1.00 0.00 C ATOM 522 CG LEU A 35 -14.855 7.286 1.582 1.00 0.00 C ATOM 523 CD1 LEU A 35 -14.689 7.096 0.082 1.00 0.00 C ATOM 524 CD2 LEU A 35 -16.279 6.958 2.008 1.00 0.00 C ATOM 0 H LEU A 35 -13.956 8.473 3.717 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.005 5.974 4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.850 6.774 2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.925 5.399 1.969 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.657 8.331 1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.409 7.721 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.678 7.380 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.860 6.050 -0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -16.978 7.584 1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.488 5.909 1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.392 7.146 3.076 1.00 0.00 H new ATOM 536 N VAL A 36 -11.803 6.059 4.791 1.00 0.00 N ATOM 537 CA VAL A 36 -10.707 5.309 5.391 1.00 0.00 C ATOM 538 C VAL A 36 -11.032 4.913 6.827 1.00 0.00 C ATOM 539 O VAL A 36 -10.872 3.756 7.213 1.00 0.00 O ATOM 540 CB VAL A 36 -9.398 6.120 5.378 1.00 0.00 C ATOM 541 CG1 VAL A 36 -8.239 5.273 5.880 1.00 0.00 C ATOM 542 CG2 VAL A 36 -9.115 6.652 3.981 1.00 0.00 C ATOM 0 H VAL A 36 -11.601 7.046 4.632 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.574 4.409 4.790 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.512 6.971 6.050 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.323 5.863 5.863 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.442 4.947 6.900 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.120 4.401 5.237 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.186 7.223 3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.021 5.818 3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.934 7.297 3.665 1.00 0.00 H new ATOM 552 N GLN A 37 -11.491 5.882 7.613 1.00 0.00 N ATOM 553 CA GLN A 37 -11.839 5.634 9.007 1.00 0.00 C ATOM 554 C GLN A 37 -13.009 4.662 9.111 1.00 0.00 C ATOM 555 O GLN A 37 -13.410 4.274 10.208 1.00 0.00 O ATOM 556 CB GLN A 37 -12.188 6.948 9.708 1.00 0.00 C ATOM 557 CG GLN A 37 -11.003 7.601 10.401 1.00 0.00 C ATOM 558 CD GLN A 37 -11.345 8.957 10.987 1.00 0.00 C ATOM 559 OE1 GLN A 37 -11.458 9.111 12.203 1.00 0.00 O ATOM 560 NE2 GLN A 37 -11.511 9.951 10.122 1.00 0.00 N ATOM 0 H GLN A 37 -11.630 6.845 7.308 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.975 5.187 9.498 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.598 7.643 8.975 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -12.971 6.761 10.443 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.645 6.946 11.195 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.186 7.713 9.688 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.408 9.779 9.122 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.741 10.886 10.458 1.00 0.00 H new ATOM 569 N ALA A 38 -13.552 4.272 7.963 1.00 0.00 N ATOM 570 CA ALA A 38 -14.675 3.343 7.925 1.00 0.00 C ATOM 571 C ALA A 38 -14.191 1.898 7.887 1.00 0.00 C ATOM 572 O ALA A 38 -14.646 1.059 8.665 1.00 0.00 O ATOM 573 CB ALA A 38 -15.562 3.636 6.724 1.00 0.00 C ATOM 0 H ALA A 38 -13.232 4.585 7.046 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.258 3.480 8.836 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.396 2.935 6.708 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -15.945 4.654 6.794 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -14.981 3.529 5.808 1.00 0.00 H new ATOM 579 N PHE A 39 -13.265 1.612 6.977 1.00 0.00 N ATOM 580 CA PHE A 39 -12.721 0.267 6.837 1.00 0.00 C ATOM 581 C PHE A 39 -11.533 0.060 7.772 1.00 0.00 C ATOM 582 O PHE A 39 -10.969 -1.032 7.848 1.00 0.00 O ATOM 583 CB PHE A 39 -12.294 0.015 5.389 1.00 0.00 C ATOM 584 CG PHE A 39 -10.993 0.672 5.025 1.00 0.00 C ATOM 585 CD1 PHE A 39 -9.788 0.136 5.450 1.00 0.00 C ATOM 586 CD2 PHE A 39 -10.976 1.824 4.256 1.00 0.00 C ATOM 587 CE1 PHE A 39 -8.590 0.739 5.117 1.00 0.00 C ATOM 588 CE2 PHE A 39 -9.780 2.432 3.919 1.00 0.00 C ATOM 589 CZ PHE A 39 -8.586 1.888 4.349 1.00 0.00 C ATOM 0 H PHE A 39 -12.876 2.294 6.326 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.502 -0.443 7.108 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.208 -1.059 5.226 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.075 0.377 4.720 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.785 -0.763 6.048 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -11.907 2.252 3.916 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.658 0.313 5.457 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.780 3.331 3.320 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.651 2.359 4.086 1.00 0.00 H new ATOM 599 N THR A 40 -11.156 1.119 8.483 1.00 0.00 N ATOM 600 CA THR A 40 -10.035 1.056 9.412 1.00 0.00 C ATOM 601 C THR A 40 -10.509 1.184 10.855 1.00 0.00 C ATOM 602 O THR A 40 -9.772 0.874 11.791 1.00 0.00 O ATOM 603 CB THR A 40 -9.003 2.162 9.123 1.00 0.00 C ATOM 604 OG1 THR A 40 -9.615 3.450 9.254 1.00 0.00 O ATOM 605 CG2 THR A 40 -8.425 2.011 7.724 1.00 0.00 C ATOM 0 H THR A 40 -11.611 2.030 8.433 1.00 0.00 H new ATOM 0 HA THR A 40 -9.563 0.083 9.272 1.00 0.00 H new ATOM 0 HB THR A 40 -8.193 2.069 9.846 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.375 3.515 8.638 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.699 2.803 7.543 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.934 1.042 7.636 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.227 2.080 6.989 1.00 0.00 H new ATOM 613 N HIS A 41 -11.745 1.642 11.029 1.00 0.00 N ATOM 614 CA HIS A 41 -12.318 1.810 12.360 1.00 0.00 C ATOM 615 C HIS A 41 -11.268 2.317 13.343 1.00 0.00 C ATOM 616 O HIS A 41 -11.208 1.870 14.488 1.00 0.00 O ATOM 617 CB HIS A 41 -12.902 0.487 12.857 1.00 0.00 C ATOM 618 CG HIS A 41 -14.015 -0.035 12.001 1.00 0.00 C ATOM 619 ND1 HIS A 41 -15.341 0.275 12.220 1.00 0.00 N ATOM 620 CD2 HIS A 41 -13.994 -0.849 10.920 1.00 0.00 C ATOM 621 CE1 HIS A 41 -16.087 -0.327 11.311 1.00 0.00 C ATOM 622 NE2 HIS A 41 -15.294 -1.016 10.510 1.00 0.00 N ATOM 0 H HIS A 41 -12.369 1.903 10.265 1.00 0.00 H new ATOM 0 HA HIS A 41 -13.116 2.549 12.295 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -12.108 -0.258 12.900 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -13.269 0.621 13.875 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -13.118 -1.286 10.464 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -17.163 -0.266 11.236 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -15.598 -1.580 9.716 1.00 0.00 H new ATOM 631 N ALA A 42 -10.441 3.253 12.889 1.00 0.00 N ATOM 632 CA ALA A 42 -9.395 3.822 13.729 1.00 0.00 C ATOM 633 C ALA A 42 -9.073 5.253 13.312 1.00 0.00 C ATOM 634 O ALA A 42 -9.211 5.632 12.149 1.00 0.00 O ATOM 635 CB ALA A 42 -8.143 2.959 13.669 1.00 0.00 C ATOM 0 H ALA A 42 -10.476 3.633 11.943 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.760 3.844 14.756 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.370 3.396 14.301 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.376 1.955 14.022 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.785 2.908 12.641 1.00 0.00 H new ATOM 641 N PRO A 43 -8.635 6.068 14.283 1.00 0.00 N ATOM 642 CA PRO A 43 -8.285 7.471 14.040 1.00 0.00 C ATOM 643 C PRO A 43 -7.382 7.641 12.824 1.00 0.00 C ATOM 644 O PRO A 43 -6.157 7.583 12.935 1.00 0.00 O ATOM 645 CB PRO A 43 -7.545 7.878 15.317 1.00 0.00 C ATOM 646 CG PRO A 43 -8.076 6.967 16.369 1.00 0.00 C ATOM 647 CD PRO A 43 -8.446 5.684 15.692 1.00 0.00 C ATOM 0 HA PRO A 43 -9.164 8.080 13.828 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.467 7.765 15.203 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.731 8.922 15.567 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.327 6.793 17.142 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.944 7.408 16.859 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.662 4.935 15.800 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.355 5.257 16.115 1.00 0.00 H new ATOM 655 N ALA A 44 -7.994 7.852 11.663 1.00 0.00 N ATOM 656 CA ALA A 44 -7.244 8.034 10.426 1.00 0.00 C ATOM 657 C ALA A 44 -7.419 9.446 9.880 1.00 0.00 C ATOM 658 O ALA A 44 -8.514 10.008 9.921 1.00 0.00 O ATOM 659 CB ALA A 44 -7.679 7.008 9.390 1.00 0.00 C ATOM 0 H ALA A 44 -9.007 7.901 11.553 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.187 7.887 10.646 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.111 7.155 8.471 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.496 6.004 9.773 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.742 7.129 9.183 1.00 0.00 H new ATOM 665 N THR A 45 -6.333 10.017 9.368 1.00 0.00 N ATOM 666 CA THR A 45 -6.366 11.366 8.816 1.00 0.00 C ATOM 667 C THR A 45 -5.817 11.391 7.394 1.00 0.00 C ATOM 668 O THR A 45 -4.603 11.402 7.187 1.00 0.00 O ATOM 669 CB THR A 45 -5.559 12.349 9.684 1.00 0.00 C ATOM 670 OG1 THR A 45 -6.165 12.474 10.975 1.00 0.00 O ATOM 671 CG2 THR A 45 -5.478 13.715 9.021 1.00 0.00 C ATOM 0 H THR A 45 -5.419 9.566 9.324 1.00 0.00 H new ATOM 0 HA THR A 45 -7.410 11.678 8.805 1.00 0.00 H new ATOM 0 HB THR A 45 -4.548 11.956 9.795 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.645 13.100 11.521 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.903 14.392 9.653 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.989 13.620 8.051 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.483 14.113 8.883 1.00 0.00 H new ATOM 679 N LEU A 46 -6.717 11.400 6.417 1.00 0.00 N ATOM 680 CA LEU A 46 -6.321 11.425 5.013 1.00 0.00 C ATOM 681 C LEU A 46 -6.591 12.794 4.396 1.00 0.00 C ATOM 682 O LEU A 46 -7.610 13.423 4.679 1.00 0.00 O ATOM 683 CB LEU A 46 -7.071 10.344 4.232 1.00 0.00 C ATOM 684 CG LEU A 46 -6.403 9.861 2.945 1.00 0.00 C ATOM 685 CD1 LEU A 46 -6.669 8.379 2.729 1.00 0.00 C ATOM 686 CD2 LEU A 46 -6.891 10.671 1.753 1.00 0.00 C ATOM 0 H LEU A 46 -7.725 11.390 6.571 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.251 11.227 4.959 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.216 9.485 4.887 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.061 10.725 3.983 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.327 10.006 3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.186 8.053 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.269 7.811 3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.743 8.209 2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.404 10.313 0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.971 10.559 1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.648 11.723 1.904 1.00 0.00 H new ATOM 698 N GLU A 47 -5.672 13.247 3.549 1.00 0.00 N ATOM 699 CA GLU A 47 -5.812 14.540 2.890 1.00 0.00 C ATOM 700 C GLU A 47 -5.537 14.422 1.394 1.00 0.00 C ATOM 701 O GLU A 47 -4.386 14.463 0.959 1.00 0.00 O ATOM 702 CB GLU A 47 -4.860 15.562 3.516 1.00 0.00 C ATOM 703 CG GLU A 47 -5.172 15.874 4.970 1.00 0.00 C ATOM 704 CD GLU A 47 -6.301 16.875 5.122 1.00 0.00 C ATOM 705 OE1 GLU A 47 -6.510 17.679 4.189 1.00 0.00 O ATOM 706 OE2 GLU A 47 -6.975 16.855 6.173 1.00 0.00 O ATOM 0 H GLU A 47 -4.823 12.738 3.303 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.839 14.879 3.027 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.839 15.186 3.445 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.901 16.485 2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.437 14.952 5.487 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.277 16.265 5.454 1.00 0.00 H new ATOM 713 N ALA A 48 -6.601 14.274 0.613 1.00 0.00 N ATOM 714 CA ALA A 48 -6.476 14.151 -0.834 1.00 0.00 C ATOM 715 C ALA A 48 -5.842 15.399 -1.438 1.00 0.00 C ATOM 716 O ALA A 48 -6.526 16.387 -1.708 1.00 0.00 O ATOM 717 CB ALA A 48 -7.837 13.892 -1.462 1.00 0.00 C ATOM 0 H ALA A 48 -7.560 14.236 0.958 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.823 13.304 -1.046 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.728 13.802 -2.543 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.253 12.967 -1.061 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.507 14.720 -1.232 1.00 0.00 H new ATOM 723 N ASP A 49 -4.531 15.349 -1.648 1.00 0.00 N ATOM 724 CA ASP A 49 -3.804 16.476 -2.221 1.00 0.00 C ATOM 725 C ASP A 49 -2.343 16.113 -2.465 1.00 0.00 C ATOM 726 O ASP A 49 -1.745 15.356 -1.700 1.00 0.00 O ATOM 727 CB ASP A 49 -3.893 17.691 -1.296 1.00 0.00 C ATOM 728 CG ASP A 49 -5.109 18.550 -1.584 1.00 0.00 C ATOM 729 OD1 ASP A 49 -5.151 19.174 -2.664 1.00 0.00 O ATOM 730 OD2 ASP A 49 -6.017 18.599 -0.727 1.00 0.00 O ATOM 0 H ASP A 49 -3.950 14.540 -1.430 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.263 16.723 -3.178 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.927 17.354 -0.260 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.992 18.294 -1.405 1.00 0.00 H new ATOM 735 N ARG A 50 -1.774 16.656 -3.536 1.00 0.00 N ATOM 736 CA ARG A 50 -0.384 16.388 -3.882 1.00 0.00 C ATOM 737 C ARG A 50 0.550 16.817 -2.755 1.00 0.00 C ATOM 738 O ARG A 50 0.889 17.993 -2.630 1.00 0.00 O ATOM 739 CB ARG A 50 -0.008 17.115 -5.175 1.00 0.00 C ATOM 740 CG ARG A 50 -0.511 16.422 -6.431 1.00 0.00 C ATOM 741 CD ARG A 50 0.248 16.886 -7.665 1.00 0.00 C ATOM 742 NE ARG A 50 -0.146 18.230 -8.077 1.00 0.00 N ATOM 743 CZ ARG A 50 -1.237 18.490 -8.790 1.00 0.00 C ATOM 744 NH1 ARG A 50 -2.037 17.502 -9.168 1.00 0.00 N ATOM 745 NH2 ARG A 50 -1.528 19.739 -9.127 1.00 0.00 N ATOM 0 H ARG A 50 -2.255 17.285 -4.179 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.275 15.314 -4.032 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.410 18.128 -5.143 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.077 17.205 -5.229 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.403 15.343 -6.321 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.574 16.625 -6.559 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.318 16.869 -7.460 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.069 16.189 -8.484 1.00 0.00 H new ATOM 0 HE ARG A 50 0.448 19.012 -7.803 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.816 16.540 -8.912 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.874 17.704 -9.715 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.914 20.501 -8.839 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.366 19.938 -9.674 1.00 0.00 H new ATOM 759 N GLY A 51 0.962 15.855 -1.935 1.00 0.00 N ATOM 760 CA GLY A 51 1.852 16.154 -0.828 1.00 0.00 C ATOM 761 C GLY A 51 1.161 16.044 0.517 1.00 0.00 C ATOM 762 O GLY A 51 1.790 16.211 1.561 1.00 0.00 O ATOM 0 H GLY A 51 0.695 14.874 -2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.701 15.471 -0.854 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.250 17.162 -0.947 1.00 0.00 H new ATOM 766 N GLY A 52 -0.139 15.764 0.493 1.00 0.00 N ATOM 767 CA GLY A 52 -0.894 15.639 1.725 1.00 0.00 C ATOM 768 C GLY A 52 -0.395 14.505 2.599 1.00 0.00 C ATOM 769 O GLY A 52 0.502 13.757 2.207 1.00 0.00 O ATOM 0 H GLY A 52 -0.682 15.622 -0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.834 16.575 2.281 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.945 15.475 1.488 1.00 0.00 H new ATOM 773 N LYS A 53 -0.975 14.376 3.787 1.00 0.00 N ATOM 774 CA LYS A 53 -0.585 13.325 4.720 1.00 0.00 C ATOM 775 C LYS A 53 -1.761 12.402 5.023 1.00 0.00 C ATOM 776 O LYS A 53 -2.862 12.862 5.324 1.00 0.00 O ATOM 777 CB LYS A 53 -0.056 13.938 6.018 1.00 0.00 C ATOM 778 CG LYS A 53 1.441 14.194 6.005 1.00 0.00 C ATOM 779 CD LYS A 53 1.838 15.121 4.868 1.00 0.00 C ATOM 780 CE LYS A 53 3.168 15.806 5.145 1.00 0.00 C ATOM 781 NZ LYS A 53 3.901 16.122 3.888 1.00 0.00 N ATOM 0 H LYS A 53 -1.718 14.987 4.127 1.00 0.00 H new ATOM 0 HA LYS A 53 0.205 12.736 4.255 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.575 14.878 6.204 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.295 13.273 6.848 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.744 14.632 6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.972 13.247 5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.907 14.552 3.941 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.063 15.874 4.724 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.994 16.725 5.705 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.784 15.162 5.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.375 17.043 3.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.611 15.385 3.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.230 16.160 3.095 1.00 0.00 H new ATOM 795 N PHE A 54 -1.519 11.098 4.942 1.00 0.00 N ATOM 796 CA PHE A 54 -2.558 10.110 5.208 1.00 0.00 C ATOM 797 C PHE A 54 -2.160 9.200 6.366 1.00 0.00 C ATOM 798 O PHE A 54 -1.172 8.469 6.285 1.00 0.00 O ATOM 799 CB PHE A 54 -2.829 9.273 3.956 1.00 0.00 C ATOM 800 CG PHE A 54 -1.782 8.227 3.697 1.00 0.00 C ATOM 801 CD1 PHE A 54 -1.872 6.977 4.286 1.00 0.00 C ATOM 802 CD2 PHE A 54 -0.708 8.495 2.864 1.00 0.00 C ATOM 803 CE1 PHE A 54 -0.910 6.012 4.050 1.00 0.00 C ATOM 804 CE2 PHE A 54 0.257 7.535 2.623 1.00 0.00 C ATOM 805 CZ PHE A 54 0.156 6.292 3.218 1.00 0.00 C ATOM 0 H PHE A 54 -0.613 10.701 4.694 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.468 10.643 5.484 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.800 8.787 4.056 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.891 9.935 3.092 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.704 6.753 4.938 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.624 9.465 2.397 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.992 5.041 4.516 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.089 7.756 1.971 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.909 5.541 3.033 1.00 0.00 H new ATOM 815 N HIS A 55 -2.936 9.250 7.445 1.00 0.00 N ATOM 816 CA HIS A 55 -2.665 8.430 8.620 1.00 0.00 C ATOM 817 C HIS A 55 -3.819 7.471 8.892 1.00 0.00 C ATOM 818 O HIS A 55 -4.987 7.852 8.813 1.00 0.00 O ATOM 819 CB HIS A 55 -2.425 9.318 9.842 1.00 0.00 C ATOM 820 CG HIS A 55 -1.379 8.786 10.772 1.00 0.00 C ATOM 821 ND1 HIS A 55 -0.891 7.498 10.700 1.00 0.00 N ATOM 822 CD2 HIS A 55 -0.725 9.377 11.800 1.00 0.00 C ATOM 823 CE1 HIS A 55 0.016 7.320 11.644 1.00 0.00 C ATOM 824 NE2 HIS A 55 0.136 8.445 12.325 1.00 0.00 N ATOM 0 H HIS A 55 -3.757 9.850 7.529 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.768 7.843 8.424 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.129 10.312 9.506 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.361 9.431 10.388 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -1.184 6.793 10.024 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.856 10.393 12.143 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.566 6.409 11.828 1.00 0.00 H new ATOM 833 N MET A 56 -3.484 6.225 9.210 1.00 0.00 N ATOM 834 CA MET A 56 -4.494 5.211 9.494 1.00 0.00 C ATOM 835 C MET A 56 -4.007 4.245 10.569 1.00 0.00 C ATOM 836 O MET A 56 -2.875 4.346 11.043 1.00 0.00 O ATOM 837 CB MET A 56 -4.845 4.441 8.220 1.00 0.00 C ATOM 838 CG MET A 56 -3.716 4.400 7.203 1.00 0.00 C ATOM 839 SD MET A 56 -3.688 2.866 6.256 1.00 0.00 S ATOM 840 CE MET A 56 -5.324 2.889 5.526 1.00 0.00 C ATOM 0 H MET A 56 -2.522 5.893 9.278 1.00 0.00 H new ATOM 0 HA MET A 56 -5.387 5.716 9.863 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.120 3.420 8.486 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.721 4.897 7.759 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.818 5.243 6.519 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.763 4.521 7.719 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.263 2.570 4.485 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.977 2.211 6.075 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.729 3.900 5.573 1.00 0.00 H new ATOM 850 N VAL A 57 -4.869 3.307 10.950 1.00 0.00 N ATOM 851 CA VAL A 57 -4.526 2.322 11.968 1.00 0.00 C ATOM 852 C VAL A 57 -4.242 2.992 13.308 1.00 0.00 C ATOM 853 O VAL A 57 -3.246 2.690 13.966 1.00 0.00 O ATOM 854 CB VAL A 57 -3.299 1.489 11.553 1.00 0.00 C ATOM 855 CG1 VAL A 57 -3.145 0.276 12.459 1.00 0.00 C ATOM 856 CG2 VAL A 57 -3.412 1.065 10.096 1.00 0.00 C ATOM 0 H VAL A 57 -5.810 3.209 10.569 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.387 1.661 12.071 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.408 2.108 11.660 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.273 -0.300 12.150 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.016 0.606 13.490 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.036 -0.348 12.387 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.537 0.477 9.819 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.311 0.463 9.961 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.470 1.950 9.463 1.00 0.00 H new ATOM 866 N ASP A 58 -5.123 3.904 13.706 1.00 0.00 N ATOM 867 CA ASP A 58 -4.968 4.617 14.969 1.00 0.00 C ATOM 868 C ASP A 58 -3.678 5.432 14.977 1.00 0.00 C ATOM 869 O ASP A 58 -3.118 5.714 16.035 1.00 0.00 O ATOM 870 CB ASP A 58 -4.971 3.632 16.139 1.00 0.00 C ATOM 871 CG ASP A 58 -5.531 4.243 17.408 1.00 0.00 C ATOM 872 OD1 ASP A 58 -5.175 5.399 17.718 1.00 0.00 O ATOM 873 OD2 ASP A 58 -6.327 3.565 18.091 1.00 0.00 O ATOM 0 H ASP A 58 -5.952 4.167 13.172 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.810 5.301 15.078 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.560 2.755 15.871 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.953 3.288 16.323 1.00 0.00 H new ATOM 878 N GLY A 59 -3.213 5.807 13.789 1.00 0.00 N ATOM 879 CA GLY A 59 -1.992 6.585 13.683 1.00 0.00 C ATOM 880 C GLY A 59 -0.750 5.716 13.677 1.00 0.00 C ATOM 881 O GLY A 59 0.325 6.156 14.084 1.00 0.00 O ATOM 0 H GLY A 59 -3.659 5.586 12.899 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.021 7.178 12.769 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.938 7.286 14.516 1.00 0.00 H new ATOM 885 N ASN A 60 -0.897 4.478 13.216 1.00 0.00 N ATOM 886 CA ASN A 60 0.222 3.545 13.161 1.00 0.00 C ATOM 887 C ASN A 60 0.832 3.508 11.763 1.00 0.00 C ATOM 888 O ASN A 60 1.958 3.047 11.577 1.00 0.00 O ATOM 889 CB ASN A 60 -0.235 2.143 13.567 1.00 0.00 C ATOM 890 CG ASN A 60 -0.121 1.907 15.061 1.00 0.00 C ATOM 891 OD1 ASN A 60 0.980 1.865 15.611 1.00 0.00 O ATOM 892 ND2 ASN A 60 -1.260 1.752 15.725 1.00 0.00 N ATOM 0 H ASN A 60 -1.780 4.098 12.875 1.00 0.00 H new ATOM 0 HA ASN A 60 0.983 3.889 13.861 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.270 1.997 13.257 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.364 1.401 13.038 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.245 1.591 16.732 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.150 1.794 15.228 1.00 0.00 H new ATOM 899 N VAL A 61 0.080 3.998 10.782 1.00 0.00 N ATOM 900 CA VAL A 61 0.546 4.023 9.401 1.00 0.00 C ATOM 901 C VAL A 61 0.329 5.395 8.772 1.00 0.00 C ATOM 902 O VAL A 61 -0.807 5.844 8.616 1.00 0.00 O ATOM 903 CB VAL A 61 -0.171 2.960 8.548 1.00 0.00 C ATOM 904 CG1 VAL A 61 0.265 3.060 7.094 1.00 0.00 C ATOM 905 CG2 VAL A 61 0.096 1.567 9.098 1.00 0.00 C ATOM 0 H VAL A 61 -0.855 4.383 10.919 1.00 0.00 H new ATOM 0 HA VAL A 61 1.613 3.802 9.423 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.244 3.145 8.595 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.252 2.301 6.506 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.018 4.049 6.707 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.341 2.902 7.025 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.418 0.828 8.483 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.168 1.369 9.083 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.270 1.504 10.123 1.00 0.00 H new ATOM 915 N SER A 62 1.425 6.056 8.413 1.00 0.00 N ATOM 916 CA SER A 62 1.354 7.379 7.804 1.00 0.00 C ATOM 917 C SER A 62 2.060 7.392 6.452 1.00 0.00 C ATOM 918 O SER A 62 2.630 6.388 6.026 1.00 0.00 O ATOM 919 CB SER A 62 1.981 8.424 8.730 1.00 0.00 C ATOM 920 OG SER A 62 3.343 8.128 8.984 1.00 0.00 O ATOM 0 H SER A 62 2.372 5.697 8.533 1.00 0.00 H new ATOM 0 HA SER A 62 0.304 7.625 7.649 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.899 9.412 8.277 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.431 8.458 9.671 1.00 0.00 H new ATOM 0 HG SER A 62 3.721 8.811 9.576 1.00 0.00 H new ATOM 926 N GLY A 63 2.018 8.539 5.780 1.00 0.00 N ATOM 927 CA GLY A 63 2.657 8.664 4.483 1.00 0.00 C ATOM 928 C GLY A 63 2.463 10.036 3.871 1.00 0.00 C ATOM 929 O GLY A 63 2.106 10.987 4.565 1.00 0.00 O ATOM 0 H GLY A 63 1.553 9.384 6.111 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.723 8.463 4.586 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.254 7.908 3.809 1.00 0.00 H new ATOM 933 N GLU A 64 2.701 10.140 2.567 1.00 0.00 N ATOM 934 CA GLU A 64 2.553 11.408 1.863 1.00 0.00 C ATOM 935 C GLU A 64 2.224 11.178 0.391 1.00 0.00 C ATOM 936 O GLU A 64 2.792 10.295 -0.253 1.00 0.00 O ATOM 937 CB GLU A 64 3.833 12.238 1.986 1.00 0.00 C ATOM 938 CG GLU A 64 4.828 11.994 0.865 1.00 0.00 C ATOM 939 CD GLU A 64 6.034 12.909 0.945 1.00 0.00 C ATOM 940 OE1 GLU A 64 6.482 13.201 2.073 1.00 0.00 O ATOM 941 OE2 GLU A 64 6.529 13.334 -0.120 1.00 0.00 O ATOM 0 H GLU A 64 2.997 9.362 1.978 1.00 0.00 H new ATOM 0 HA GLU A 64 1.728 11.954 2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.570 13.296 2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.311 12.014 2.940 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.161 10.957 0.899 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.331 12.138 -0.094 1.00 0.00 H new ATOM 948 N PHE A 65 1.302 11.977 -0.136 1.00 0.00 N ATOM 949 CA PHE A 65 0.895 11.861 -1.531 1.00 0.00 C ATOM 950 C PHE A 65 1.900 12.549 -2.450 1.00 0.00 C ATOM 951 O PHE A 65 2.251 13.711 -2.246 1.00 0.00 O ATOM 952 CB PHE A 65 -0.496 12.467 -1.731 1.00 0.00 C ATOM 953 CG PHE A 65 -1.611 11.579 -1.258 1.00 0.00 C ATOM 954 CD1 PHE A 65 -1.459 10.800 -0.122 1.00 0.00 C ATOM 955 CD2 PHE A 65 -2.810 11.523 -1.949 1.00 0.00 C ATOM 956 CE1 PHE A 65 -2.483 9.983 0.317 1.00 0.00 C ATOM 957 CE2 PHE A 65 -3.838 10.708 -1.514 1.00 0.00 C ATOM 958 CZ PHE A 65 -3.674 9.936 -0.381 1.00 0.00 C ATOM 0 H PHE A 65 0.822 12.713 0.383 1.00 0.00 H new ATOM 0 HA PHE A 65 0.862 10.802 -1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.549 13.417 -1.200 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.640 12.685 -2.789 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.529 10.832 0.427 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.943 12.123 -2.837 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.352 9.382 1.205 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.769 10.675 -2.060 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.475 9.297 -0.041 1.00 0.00 H new ATOM 968 N THR A 66 2.359 11.823 -3.464 1.00 0.00 N ATOM 969 CA THR A 66 3.325 12.361 -4.414 1.00 0.00 C ATOM 970 C THR A 66 2.685 12.588 -5.779 1.00 0.00 C ATOM 971 O THR A 66 3.038 13.528 -6.492 1.00 0.00 O ATOM 972 CB THR A 66 4.535 11.423 -4.578 1.00 0.00 C ATOM 973 OG1 THR A 66 4.095 10.117 -4.966 1.00 0.00 O ATOM 974 CG2 THR A 66 5.328 11.332 -3.282 1.00 0.00 C ATOM 0 H THR A 66 2.077 10.860 -3.649 1.00 0.00 H new ATOM 0 HA THR A 66 3.666 13.315 -4.011 1.00 0.00 H new ATOM 0 HB THR A 66 5.181 11.833 -5.354 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.116 10.083 -4.947 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.178 10.664 -3.422 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.687 12.323 -3.005 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.688 10.944 -2.490 1.00 0.00 H new ATOM 982 N ASP A 67 1.742 11.724 -6.136 1.00 0.00 N ATOM 983 CA ASP A 67 1.051 11.832 -7.416 1.00 0.00 C ATOM 984 C ASP A 67 -0.415 11.430 -7.278 1.00 0.00 C ATOM 985 O ASP A 67 -0.750 10.514 -6.526 1.00 0.00 O ATOM 986 CB ASP A 67 1.736 10.955 -8.466 1.00 0.00 C ATOM 987 CG ASP A 67 1.592 11.512 -9.868 1.00 0.00 C ATOM 988 OD1 ASP A 67 0.594 12.216 -10.127 1.00 0.00 O ATOM 989 OD2 ASP A 67 2.477 11.243 -10.708 1.00 0.00 O ATOM 0 H ASP A 67 1.438 10.941 -5.557 1.00 0.00 H new ATOM 0 HA ASP A 67 1.096 12.872 -7.738 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.794 10.861 -8.222 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.311 9.952 -8.431 1.00 0.00 H new ATOM 994 N LEU A 68 -1.283 12.122 -8.007 1.00 0.00 N ATOM 995 CA LEU A 68 -2.714 11.838 -7.965 1.00 0.00 C ATOM 996 C LEU A 68 -3.346 12.025 -9.341 1.00 0.00 C ATOM 997 O LEU A 68 -3.493 13.149 -9.821 1.00 0.00 O ATOM 998 CB LEU A 68 -3.404 12.746 -6.946 1.00 0.00 C ATOM 999 CG LEU A 68 -3.020 12.526 -5.483 1.00 0.00 C ATOM 1000 CD1 LEU A 68 -3.590 13.633 -4.609 1.00 0.00 C ATOM 1001 CD2 LEU A 68 -3.502 11.165 -5.003 1.00 0.00 C ATOM 0 H LEU A 68 -1.022 12.883 -8.634 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.845 10.799 -7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.186 13.782 -7.206 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.482 12.613 -7.042 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.933 12.552 -5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.306 13.460 -3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.196 14.595 -4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.677 13.639 -4.692 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.219 11.026 -3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.587 11.110 -5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.046 10.383 -5.610 1.00 0.00 H new ATOM 1013 N VAL A 69 -3.721 10.916 -9.970 1.00 0.00 N ATOM 1014 CA VAL A 69 -4.341 10.957 -11.289 1.00 0.00 C ATOM 1015 C VAL A 69 -5.815 10.573 -11.216 1.00 0.00 C ATOM 1016 O VAL A 69 -6.207 9.650 -10.502 1.00 0.00 O ATOM 1017 CB VAL A 69 -3.625 10.015 -12.275 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -4.136 10.237 -13.691 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -2.119 10.216 -12.205 1.00 0.00 C ATOM 0 H VAL A 69 -3.606 9.978 -9.587 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.253 11.982 -11.648 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.844 8.985 -11.992 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.619 9.563 -14.374 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.207 10.038 -13.727 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.948 11.269 -13.988 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.629 9.542 -12.908 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.877 11.247 -12.462 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.770 10.002 -11.195 1.00 0.00 H new ATOM 1029 N PRO A 70 -6.653 11.299 -11.971 1.00 0.00 N ATOM 1030 CA PRO A 70 -8.098 11.052 -12.010 1.00 0.00 C ATOM 1031 C PRO A 70 -8.429 9.576 -12.204 1.00 0.00 C ATOM 1032 O PRO A 70 -8.178 9.009 -13.266 1.00 0.00 O ATOM 1033 CB PRO A 70 -8.564 11.868 -13.218 1.00 0.00 C ATOM 1034 CG PRO A 70 -7.556 12.957 -13.352 1.00 0.00 C ATOM 1035 CD PRO A 70 -6.255 12.415 -12.845 1.00 0.00 C ATOM 0 HA PRO A 70 -8.585 11.331 -11.076 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.606 11.254 -14.118 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.564 12.272 -13.061 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.464 13.271 -14.392 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.858 13.834 -12.779 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.618 12.075 -13.662 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.694 13.171 -12.297 1.00 0.00 H new ATOM 1043 N GLU A 71 -8.994 8.961 -11.170 1.00 0.00 N ATOM 1044 CA GLU A 71 -9.359 7.550 -11.228 1.00 0.00 C ATOM 1045 C GLU A 71 -8.417 6.782 -12.151 1.00 0.00 C ATOM 1046 O GLU A 71 -8.858 6.027 -13.018 1.00 0.00 O ATOM 1047 CB GLU A 71 -10.803 7.393 -11.710 1.00 0.00 C ATOM 1048 CG GLU A 71 -11.786 8.301 -10.991 1.00 0.00 C ATOM 1049 CD GLU A 71 -13.174 8.258 -11.601 1.00 0.00 C ATOM 1050 OE1 GLU A 71 -13.418 7.386 -12.460 1.00 0.00 O ATOM 1051 OE2 GLU A 71 -14.016 9.098 -11.220 1.00 0.00 O ATOM 0 H GLU A 71 -9.209 9.417 -10.283 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.272 7.137 -10.223 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.845 7.600 -12.779 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.112 6.357 -11.574 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.845 8.009 -9.943 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.414 9.325 -11.016 1.00 0.00 H new ATOM 1058 N LYS A 72 -7.118 6.981 -11.959 1.00 0.00 N ATOM 1059 CA LYS A 72 -6.112 6.308 -12.772 1.00 0.00 C ATOM 1060 C LYS A 72 -5.093 5.591 -11.893 1.00 0.00 C ATOM 1061 O LYS A 72 -4.924 4.374 -11.986 1.00 0.00 O ATOM 1062 CB LYS A 72 -5.400 7.316 -13.677 1.00 0.00 C ATOM 1063 CG LYS A 72 -6.150 7.614 -14.964 1.00 0.00 C ATOM 1064 CD LYS A 72 -5.198 7.806 -16.132 1.00 0.00 C ATOM 1065 CE LYS A 72 -4.895 6.488 -16.828 1.00 0.00 C ATOM 1066 NZ LYS A 72 -3.765 5.766 -16.181 1.00 0.00 N ATOM 0 H LYS A 72 -6.737 7.604 -11.247 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.618 5.567 -13.391 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.255 8.246 -13.127 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.410 6.934 -13.924 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.837 6.797 -15.184 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.754 8.512 -14.835 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.634 8.504 -16.847 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.269 8.252 -15.776 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.784 5.857 -16.815 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.654 6.677 -17.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.390 5.050 -16.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.013 6.443 -15.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.102 5.300 -15.314 1.00 0.00 H new ATOM 1080 N HIS A 73 -4.416 6.351 -11.038 1.00 0.00 N ATOM 1081 CA HIS A 73 -3.415 5.786 -10.140 1.00 0.00 C ATOM 1082 C HIS A 73 -3.077 6.764 -9.018 1.00 0.00 C ATOM 1083 O HIS A 73 -3.368 7.957 -9.114 1.00 0.00 O ATOM 1084 CB HIS A 73 -2.148 5.426 -10.916 1.00 0.00 C ATOM 1085 CG HIS A 73 -1.046 6.430 -10.764 1.00 0.00 C ATOM 1086 ND1 HIS A 73 0.285 6.081 -10.688 1.00 0.00 N ATOM 1087 CD2 HIS A 73 -1.085 7.780 -10.676 1.00 0.00 C ATOM 1088 CE1 HIS A 73 1.018 7.172 -10.558 1.00 0.00 C ATOM 1089 NE2 HIS A 73 0.210 8.217 -10.548 1.00 0.00 N ATOM 0 H HIS A 73 -4.542 7.359 -10.948 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.831 4.881 -9.697 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.790 4.453 -10.580 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.395 5.327 -11.973 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.970 8.398 -10.702 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.094 7.204 -10.474 1.00 0.00 H new ATOM 0 HE2 HIS A 73 0.501 9.191 -10.460 1.00 0.00 H new ATOM 1098 N ILE A 74 -2.464 6.251 -7.957 1.00 0.00 N ATOM 1099 CA ILE A 74 -2.088 7.080 -6.818 1.00 0.00 C ATOM 1100 C ILE A 74 -0.737 6.655 -6.252 1.00 0.00 C ATOM 1101 O ILE A 74 -0.534 5.490 -5.911 1.00 0.00 O ATOM 1102 CB ILE A 74 -3.145 7.013 -5.700 1.00 0.00 C ATOM 1103 CG1 ILE A 74 -4.519 7.408 -6.244 1.00 0.00 C ATOM 1104 CG2 ILE A 74 -2.748 7.916 -4.542 1.00 0.00 C ATOM 1105 CD1 ILE A 74 -5.659 7.063 -5.311 1.00 0.00 C ATOM 0 H ILE A 74 -2.217 5.266 -7.862 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.021 8.105 -7.182 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.201 5.988 -5.333 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.530 8.481 -6.437 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.679 6.910 -7.200 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.505 7.858 -3.760 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.787 7.593 -4.142 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.668 8.945 -4.894 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.603 7.371 -5.760 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.674 5.987 -5.137 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.522 7.582 -4.362 1.00 0.00 H new ATOM 1117 N VAL A 75 0.184 7.609 -6.153 1.00 0.00 N ATOM 1118 CA VAL A 75 1.515 7.335 -5.625 1.00 0.00 C ATOM 1119 C VAL A 75 1.754 8.086 -4.320 1.00 0.00 C ATOM 1120 O VAL A 75 1.663 9.312 -4.273 1.00 0.00 O ATOM 1121 CB VAL A 75 2.610 7.722 -6.636 1.00 0.00 C ATOM 1122 CG1 VAL A 75 3.936 7.078 -6.260 1.00 0.00 C ATOM 1123 CG2 VAL A 75 2.197 7.328 -8.046 1.00 0.00 C ATOM 0 H VAL A 75 0.032 8.578 -6.432 1.00 0.00 H new ATOM 0 HA VAL A 75 1.567 6.262 -5.438 1.00 0.00 H new ATOM 0 HB VAL A 75 2.739 8.804 -6.609 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.698 7.363 -6.986 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.236 7.415 -5.268 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.826 5.994 -6.256 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.983 7.609 -8.747 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.039 6.250 -8.091 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.273 7.842 -8.311 1.00 0.00 H new ATOM 1133 N MET A 76 2.059 7.341 -3.263 1.00 0.00 N ATOM 1134 CA MET A 76 2.313 7.937 -1.956 1.00 0.00 C ATOM 1135 C MET A 76 3.272 7.075 -1.142 1.00 0.00 C ATOM 1136 O MET A 76 3.575 5.941 -1.516 1.00 0.00 O ATOM 1137 CB MET A 76 1.000 8.121 -1.192 1.00 0.00 C ATOM 1138 CG MET A 76 0.459 6.832 -0.595 1.00 0.00 C ATOM 1139 SD MET A 76 -1.311 6.911 -0.261 1.00 0.00 S ATOM 1140 CE MET A 76 -1.823 5.267 -0.754 1.00 0.00 C ATOM 0 H MET A 76 2.136 6.324 -3.285 1.00 0.00 H new ATOM 0 HA MET A 76 2.774 8.912 -2.113 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.153 8.846 -0.393 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.253 8.542 -1.865 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.659 6.007 -1.279 1.00 0.00 H new ATOM 0 HG3 MET A 76 0.990 6.614 0.331 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.898 5.161 -0.606 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.585 5.112 -1.806 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.299 4.526 -0.150 1.00 0.00 H new ATOM 1150 N LYS A 77 3.749 7.619 -0.028 1.00 0.00 N ATOM 1151 CA LYS A 77 4.674 6.900 0.840 1.00 0.00 C ATOM 1152 C LYS A 77 3.918 6.076 1.877 1.00 0.00 C ATOM 1153 O LYS A 77 2.820 6.444 2.295 1.00 0.00 O ATOM 1154 CB LYS A 77 5.616 7.881 1.541 1.00 0.00 C ATOM 1155 CG LYS A 77 6.766 8.350 0.667 1.00 0.00 C ATOM 1156 CD LYS A 77 7.812 9.099 1.476 1.00 0.00 C ATOM 1157 CE LYS A 77 7.532 10.594 1.501 1.00 0.00 C ATOM 1158 NZ LYS A 77 8.756 11.383 1.813 1.00 0.00 N ATOM 0 H LYS A 77 3.510 8.556 0.295 1.00 0.00 H new ATOM 0 HA LYS A 77 5.261 6.222 0.220 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.044 8.748 1.871 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.020 7.407 2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.228 7.491 0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.384 8.997 -0.123 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.829 8.714 2.496 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.799 8.920 1.051 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.136 10.905 0.534 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.763 10.807 2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.488 12.359 2.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.252 10.951 2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.384 11.391 0.984 1.00 0.00 H new ATOM 1172 N TRP A 78 4.512 4.962 2.289 1.00 0.00 N ATOM 1173 CA TRP A 78 3.894 4.087 3.279 1.00 0.00 C ATOM 1174 C TRP A 78 4.908 3.657 4.334 1.00 0.00 C ATOM 1175 O TRP A 78 6.015 3.230 4.006 1.00 0.00 O ATOM 1176 CB TRP A 78 3.295 2.856 2.598 1.00 0.00 C ATOM 1177 CG TRP A 78 2.219 2.195 3.406 1.00 0.00 C ATOM 1178 CD1 TRP A 78 0.870 2.345 3.254 1.00 0.00 C ATOM 1179 CD2 TRP A 78 2.403 1.281 4.493 1.00 0.00 C ATOM 1180 NE1 TRP A 78 0.205 1.580 4.181 1.00 0.00 N ATOM 1181 CE2 TRP A 78 1.122 0.917 4.952 1.00 0.00 C ATOM 1182 CE3 TRP A 78 3.525 0.733 5.121 1.00 0.00 C ATOM 1183 CZ2 TRP A 78 0.935 0.032 6.010 1.00 0.00 C ATOM 1184 CZ3 TRP A 78 3.337 -0.145 6.172 1.00 0.00 C ATOM 1185 CH2 TRP A 78 2.051 -0.489 6.607 1.00 0.00 C ATOM 0 H TRP A 78 5.421 4.643 1.953 1.00 0.00 H new ATOM 0 HA TRP A 78 3.098 4.644 3.773 1.00 0.00 H new ATOM 0 HB2 TRP A 78 2.886 3.148 1.631 1.00 0.00 H new ATOM 0 HB3 TRP A 78 4.089 2.135 2.404 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.396 2.973 2.514 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -0.808 1.516 4.279 1.00 0.00 H new ATOM 0 HE3 TRP A 78 4.521 0.991 4.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -0.056 -0.234 6.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.197 -0.573 6.666 1.00 0.00 H new ATOM 0 HH2 TRP A 78 1.938 -1.179 7.430 1.00 0.00 H new ATOM 1196 N ARG A 79 4.523 3.772 5.600 1.00 0.00 N ATOM 1197 CA ARG A 79 5.399 3.396 6.703 1.00 0.00 C ATOM 1198 C ARG A 79 4.591 3.094 7.961 1.00 0.00 C ATOM 1199 O ARG A 79 3.402 3.405 8.038 1.00 0.00 O ATOM 1200 CB ARG A 79 6.406 4.512 6.986 1.00 0.00 C ATOM 1201 CG ARG A 79 5.768 5.790 7.506 1.00 0.00 C ATOM 1202 CD ARG A 79 6.712 6.549 8.427 1.00 0.00 C ATOM 1203 NE ARG A 79 6.832 5.910 9.734 1.00 0.00 N ATOM 1204 CZ ARG A 79 7.192 6.556 10.838 1.00 0.00 C ATOM 1205 NH1 ARG A 79 7.465 7.853 10.792 1.00 0.00 N ATOM 1206 NH2 ARG A 79 7.279 5.905 11.991 1.00 0.00 N ATOM 0 H ARG A 79 3.610 4.123 5.888 1.00 0.00 H new ATOM 0 HA ARG A 79 5.938 2.494 6.414 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.134 4.157 7.715 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.954 4.736 6.071 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.488 6.426 6.666 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.851 5.548 8.043 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.696 6.614 7.963 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.352 7.570 8.554 1.00 0.00 H new ATOM 0 HE ARG A 79 6.628 4.913 9.804 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.399 8.357 9.908 1.00 0.00 H new ATOM 0 HH12 ARG A 79 7.741 8.346 11.641 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.069 4.908 12.031 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.555 6.402 12.838 1.00 0.00 H new ATOM 1220 N PHE A 80 5.244 2.486 8.946 1.00 0.00 N ATOM 1221 CA PHE A 80 4.586 2.141 10.201 1.00 0.00 C ATOM 1222 C PHE A 80 4.946 3.140 11.297 1.00 0.00 C ATOM 1223 O PHE A 80 5.813 3.994 11.114 1.00 0.00 O ATOM 1224 CB PHE A 80 4.979 0.727 10.635 1.00 0.00 C ATOM 1225 CG PHE A 80 3.981 -0.322 10.236 1.00 0.00 C ATOM 1226 CD1 PHE A 80 2.624 -0.112 10.420 1.00 0.00 C ATOM 1227 CD2 PHE A 80 4.401 -1.519 9.677 1.00 0.00 C ATOM 1228 CE1 PHE A 80 1.703 -1.075 10.053 1.00 0.00 C ATOM 1229 CE2 PHE A 80 3.484 -2.485 9.307 1.00 0.00 C ATOM 1230 CZ PHE A 80 2.134 -2.264 9.497 1.00 0.00 C ATOM 0 H PHE A 80 6.228 2.222 8.899 1.00 0.00 H new ATOM 0 HA PHE A 80 3.509 2.178 10.040 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.948 0.479 10.202 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.100 0.709 11.718 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.282 0.815 10.855 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.456 -1.699 9.529 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.648 -0.898 10.201 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.823 -3.412 8.869 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.417 -3.019 9.211 1.00 0.00 H new ATOM 1240 N LYS A 81 4.272 3.027 12.436 1.00 0.00 N ATOM 1241 CA LYS A 81 4.519 3.918 13.563 1.00 0.00 C ATOM 1242 C LYS A 81 5.757 3.482 14.341 1.00 0.00 C ATOM 1243 O LYS A 81 6.280 4.232 15.165 1.00 0.00 O ATOM 1244 CB LYS A 81 3.304 3.947 14.493 1.00 0.00 C ATOM 1245 CG LYS A 81 3.667 4.018 15.966 1.00 0.00 C ATOM 1246 CD LYS A 81 4.311 5.348 16.319 1.00 0.00 C ATOM 1247 CE LYS A 81 3.289 6.337 16.858 1.00 0.00 C ATOM 1248 NZ LYS A 81 3.797 7.736 16.818 1.00 0.00 N ATOM 0 H LYS A 81 3.550 2.326 12.603 1.00 0.00 H new ATOM 0 HA LYS A 81 4.692 4.920 13.170 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.683 4.806 14.239 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.702 3.055 14.318 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.771 3.875 16.570 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.350 3.205 16.213 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.092 5.189 17.062 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.792 5.766 15.435 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.372 6.267 16.273 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.034 6.072 17.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.072 8.380 17.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.658 7.809 17.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.017 7.998 15.836 1.00 0.00 H new ATOM 1262 N SER A 82 6.221 2.266 14.072 1.00 0.00 N ATOM 1263 CA SER A 82 7.397 1.730 14.749 1.00 0.00 C ATOM 1264 C SER A 82 8.559 1.570 13.773 1.00 0.00 C ATOM 1265 O SER A 82 9.566 0.936 14.089 1.00 0.00 O ATOM 1266 CB SER A 82 7.069 0.382 15.394 1.00 0.00 C ATOM 1267 OG SER A 82 7.230 -0.679 14.469 1.00 0.00 O ATOM 0 H SER A 82 5.801 1.633 13.391 1.00 0.00 H new ATOM 0 HA SER A 82 7.692 2.435 15.526 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.718 0.220 16.255 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.044 0.393 15.765 1.00 0.00 H new ATOM 0 HG SER A 82 7.016 -1.530 14.906 1.00 0.00 H new ATOM 1273 N TRP A 83 8.411 2.149 12.588 1.00 0.00 N ATOM 1274 CA TRP A 83 9.448 2.072 11.565 1.00 0.00 C ATOM 1275 C TRP A 83 10.560 3.078 11.840 1.00 0.00 C ATOM 1276 O TRP A 83 10.391 4.035 12.595 1.00 0.00 O ATOM 1277 CB TRP A 83 8.848 2.322 10.180 1.00 0.00 C ATOM 1278 CG TRP A 83 8.393 1.069 9.495 1.00 0.00 C ATOM 1279 CD1 TRP A 83 8.168 -0.146 10.074 1.00 0.00 C ATOM 1280 CD2 TRP A 83 8.111 0.910 8.100 1.00 0.00 C ATOM 1281 NE1 TRP A 83 7.762 -1.052 9.124 1.00 0.00 N ATOM 1282 CE2 TRP A 83 7.719 -0.429 7.905 1.00 0.00 C ATOM 1283 CE3 TRP A 83 8.149 1.768 6.998 1.00 0.00 C ATOM 1284 CZ2 TRP A 83 7.369 -0.927 6.653 1.00 0.00 C ATOM 1285 CZ3 TRP A 83 7.802 1.272 5.756 1.00 0.00 C ATOM 1286 CH2 TRP A 83 7.416 -0.065 5.591 1.00 0.00 C ATOM 0 H TRP A 83 7.583 2.677 12.311 1.00 0.00 H new ATOM 0 HA TRP A 83 9.876 1.070 11.592 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.002 3.003 10.276 1.00 0.00 H new ATOM 0 HB3 TRP A 83 9.589 2.820 9.555 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.291 -0.364 11.125 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.530 -2.030 9.298 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.444 2.800 7.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 7.071 -1.957 6.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 7.829 1.926 4.897 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.151 -0.422 4.607 1.00 0.00 H new ATOM 1333 N HIS A 87 12.286 6.758 6.878 1.00 0.00 N ATOM 1334 CA HIS A 87 12.199 5.501 6.143 1.00 0.00 C ATOM 1335 C HIS A 87 10.762 5.218 5.717 1.00 0.00 C ATOM 1336 O HIS A 87 9.931 4.813 6.531 1.00 0.00 O ATOM 1337 CB HIS A 87 12.727 4.348 6.998 1.00 0.00 C ATOM 1338 CG HIS A 87 12.996 3.098 6.219 1.00 0.00 C ATOM 1339 ND1 HIS A 87 14.267 2.672 5.895 1.00 0.00 N ATOM 1340 CD2 HIS A 87 12.149 2.179 5.699 1.00 0.00 C ATOM 1341 CE1 HIS A 87 14.190 1.546 5.208 1.00 0.00 C ATOM 1342 NE2 HIS A 87 12.915 1.225 5.076 1.00 0.00 N ATOM 0 HA HIS A 87 12.813 5.590 5.247 1.00 0.00 H new ATOM 0 HB2 HIS A 87 13.646 4.664 7.491 1.00 0.00 H new ATOM 0 HB3 HIS A 87 12.004 4.128 7.783 1.00 0.00 H new ATOM 0 HD2 HIS A 87 11.071 2.194 5.762 1.00 0.00 H new ATOM 0 HE1 HIS A 87 15.027 0.984 4.820 1.00 0.00 H new ATOM 0 HE2 HIS A 87 12.558 0.402 4.590 1.00 0.00 H new ATOM 1351 N PHE A 88 10.475 5.435 4.438 1.00 0.00 N ATOM 1352 CA PHE A 88 9.138 5.205 3.905 1.00 0.00 C ATOM 1353 C PHE A 88 9.190 4.307 2.672 1.00 0.00 C ATOM 1354 O PHE A 88 10.267 3.994 2.165 1.00 0.00 O ATOM 1355 CB PHE A 88 8.471 6.536 3.551 1.00 0.00 C ATOM 1356 CG PHE A 88 8.203 7.408 4.745 1.00 0.00 C ATOM 1357 CD1 PHE A 88 9.250 7.970 5.457 1.00 0.00 C ATOM 1358 CD2 PHE A 88 6.905 7.665 5.155 1.00 0.00 C ATOM 1359 CE1 PHE A 88 9.008 8.773 6.556 1.00 0.00 C ATOM 1360 CE2 PHE A 88 6.656 8.468 6.252 1.00 0.00 C ATOM 1361 CZ PHE A 88 7.709 9.021 6.954 1.00 0.00 C ATOM 0 H PHE A 88 11.151 5.770 3.751 1.00 0.00 H new ATOM 0 HA PHE A 88 8.550 4.704 4.674 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.107 7.077 2.851 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.530 6.337 3.038 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.268 7.779 5.150 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.078 7.233 4.611 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.833 9.206 7.102 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.639 8.663 6.560 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.517 9.647 7.813 1.00 0.00 H new ATOM 1371 N ALA A 89 8.020 3.895 2.197 1.00 0.00 N ATOM 1372 CA ALA A 89 7.931 3.034 1.024 1.00 0.00 C ATOM 1373 C ALA A 89 7.097 3.686 -0.073 1.00 0.00 C ATOM 1374 O ALA A 89 5.991 4.168 0.176 1.00 0.00 O ATOM 1375 CB ALA A 89 7.345 1.683 1.404 1.00 0.00 C ATOM 0 H ALA A 89 7.120 4.144 2.607 1.00 0.00 H new ATOM 0 HA ALA A 89 8.939 2.884 0.637 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.284 1.051 0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.983 1.206 2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.347 1.823 1.819 1.00 0.00 H new ATOM 1381 N THR A 90 7.633 3.697 -1.290 1.00 0.00 N ATOM 1382 CA THR A 90 6.938 4.291 -2.425 1.00 0.00 C ATOM 1383 C THR A 90 5.867 3.351 -2.968 1.00 0.00 C ATOM 1384 O THR A 90 6.174 2.380 -3.659 1.00 0.00 O ATOM 1385 CB THR A 90 7.918 4.645 -3.561 1.00 0.00 C ATOM 1386 OG1 THR A 90 8.993 5.441 -3.050 1.00 0.00 O ATOM 1387 CG2 THR A 90 7.206 5.399 -4.673 1.00 0.00 C ATOM 0 H THR A 90 8.546 3.301 -1.514 1.00 0.00 H new ATOM 0 HA THR A 90 6.466 5.205 -2.064 1.00 0.00 H new ATOM 0 HB THR A 90 8.317 3.717 -3.970 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.612 5.660 -3.777 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.917 5.638 -5.464 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.407 4.779 -5.079 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.783 6.321 -4.274 1.00 0.00 H new ATOM 1395 N ILE A 91 4.612 3.647 -2.651 1.00 0.00 N ATOM 1396 CA ILE A 91 3.496 2.829 -3.109 1.00 0.00 C ATOM 1397 C ILE A 91 2.750 3.507 -4.253 1.00 0.00 C ATOM 1398 O ILE A 91 2.408 4.688 -4.173 1.00 0.00 O ATOM 1399 CB ILE A 91 2.505 2.538 -1.966 1.00 0.00 C ATOM 1400 CG1 ILE A 91 3.014 1.381 -1.103 1.00 0.00 C ATOM 1401 CG2 ILE A 91 1.127 2.221 -2.527 1.00 0.00 C ATOM 1402 CD1 ILE A 91 4.403 1.606 -0.549 1.00 0.00 C ATOM 0 H ILE A 91 4.342 4.447 -2.079 1.00 0.00 H new ATOM 0 HA ILE A 91 3.919 1.888 -3.461 1.00 0.00 H new ATOM 0 HB ILE A 91 2.425 3.426 -1.339 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.322 1.224 -0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.012 0.467 -1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.438 2.018 -1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.764 3.072 -3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.190 1.346 -3.173 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.699 0.746 0.052 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.107 1.733 -1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.406 2.502 0.072 1.00 0.00 H new ATOM 1414 N THR A 92 2.497 2.752 -5.317 1.00 0.00 N ATOM 1415 CA THR A 92 1.791 3.279 -6.478 1.00 0.00 C ATOM 1416 C THR A 92 0.594 2.405 -6.837 1.00 0.00 C ATOM 1417 O THR A 92 0.742 1.368 -7.485 1.00 0.00 O ATOM 1418 CB THR A 92 2.721 3.385 -7.701 1.00 0.00 C ATOM 1419 OG1 THR A 92 3.791 4.295 -7.426 1.00 0.00 O ATOM 1420 CG2 THR A 92 1.951 3.853 -8.927 1.00 0.00 C ATOM 0 H THR A 92 2.771 1.773 -5.399 1.00 0.00 H new ATOM 0 HA THR A 92 1.442 4.276 -6.210 1.00 0.00 H new ATOM 0 HB THR A 92 3.131 2.396 -7.905 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.184 4.603 -8.270 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.628 3.920 -9.778 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.156 3.141 -9.151 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.516 4.833 -8.731 1.00 0.00 H new ATOM 1428 N LEU A 93 -0.591 2.830 -6.414 1.00 0.00 N ATOM 1429 CA LEU A 93 -1.814 2.085 -6.692 1.00 0.00 C ATOM 1430 C LEU A 93 -2.340 2.403 -8.088 1.00 0.00 C ATOM 1431 O LEU A 93 -2.030 3.451 -8.656 1.00 0.00 O ATOM 1432 CB LEU A 93 -2.882 2.412 -5.646 1.00 0.00 C ATOM 1433 CG LEU A 93 -2.642 1.851 -4.244 1.00 0.00 C ATOM 1434 CD1 LEU A 93 -3.557 2.527 -3.235 1.00 0.00 C ATOM 1435 CD2 LEU A 93 -2.851 0.344 -4.229 1.00 0.00 C ATOM 0 H LEU A 93 -0.731 3.686 -5.877 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.581 1.021 -6.645 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.970 3.496 -5.572 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.841 2.039 -6.006 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.609 2.057 -3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.372 2.115 -2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.359 3.599 -3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.597 2.352 -3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.676 -0.038 -3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.873 0.115 -4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.154 -0.127 -4.922 1.00 0.00 H new ATOM 1447 N THR A 94 -3.138 1.492 -8.636 1.00 0.00 N ATOM 1448 CA THR A 94 -3.708 1.676 -9.965 1.00 0.00 C ATOM 1449 C THR A 94 -5.109 1.081 -10.049 1.00 0.00 C ATOM 1450 O THR A 94 -5.336 -0.058 -9.641 1.00 0.00 O ATOM 1451 CB THR A 94 -2.823 1.032 -11.049 1.00 0.00 C ATOM 1452 OG1 THR A 94 -1.447 1.090 -10.656 1.00 0.00 O ATOM 1453 CG2 THR A 94 -3.004 1.737 -12.385 1.00 0.00 C ATOM 0 H THR A 94 -3.404 0.619 -8.180 1.00 0.00 H new ATOM 0 HA THR A 94 -3.761 2.750 -10.141 1.00 0.00 H new ATOM 0 HB THR A 94 -3.125 -0.009 -11.162 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.891 0.677 -11.350 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.369 1.265 -13.135 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.046 1.666 -12.696 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.726 2.786 -12.283 1.00 0.00 H new ATOM 1461 N PHE A 95 -6.045 1.858 -10.582 1.00 0.00 N ATOM 1462 CA PHE A 95 -7.425 1.408 -10.720 1.00 0.00 C ATOM 1463 C PHE A 95 -7.729 1.019 -12.164 1.00 0.00 C ATOM 1464 O PHE A 95 -7.588 1.831 -13.079 1.00 0.00 O ATOM 1465 CB PHE A 95 -8.390 2.504 -10.262 1.00 0.00 C ATOM 1466 CG PHE A 95 -8.075 3.046 -8.897 1.00 0.00 C ATOM 1467 CD1 PHE A 95 -7.038 3.947 -8.717 1.00 0.00 C ATOM 1468 CD2 PHE A 95 -8.817 2.656 -7.794 1.00 0.00 C ATOM 1469 CE1 PHE A 95 -6.746 4.447 -7.463 1.00 0.00 C ATOM 1470 CE2 PHE A 95 -8.530 3.154 -6.536 1.00 0.00 C ATOM 1471 CZ PHE A 95 -7.494 4.051 -6.371 1.00 0.00 C ATOM 0 H PHE A 95 -5.873 2.803 -10.926 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.558 0.529 -10.089 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.368 3.321 -10.983 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.405 2.107 -10.261 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.451 4.262 -9.567 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.629 1.955 -7.918 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.933 5.147 -7.336 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -9.116 2.841 -5.684 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.269 4.443 -5.390 1.00 0.00 H new ATOM 1481 N ILE A 96 -8.146 -0.227 -12.360 1.00 0.00 N ATOM 1482 CA ILE A 96 -8.470 -0.723 -13.692 1.00 0.00 C ATOM 1483 C ILE A 96 -9.954 -1.058 -13.808 1.00 0.00 C ATOM 1484 O ILE A 96 -10.592 -1.445 -12.829 1.00 0.00 O ATOM 1485 CB ILE A 96 -7.644 -1.975 -14.042 1.00 0.00 C ATOM 1486 CG1 ILE A 96 -6.153 -1.704 -13.831 1.00 0.00 C ATOM 1487 CG2 ILE A 96 -7.912 -2.401 -15.478 1.00 0.00 C ATOM 1488 CD1 ILE A 96 -5.323 -2.962 -13.703 1.00 0.00 C ATOM 0 H ILE A 96 -8.267 -0.912 -11.614 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.224 0.073 -14.394 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.944 -2.787 -13.380 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.777 -1.114 -14.667 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.025 -1.101 -12.932 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.321 -3.287 -15.711 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.971 -2.629 -15.598 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.636 -1.593 -16.155 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -4.277 -2.694 -13.556 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.673 -3.543 -12.850 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.421 -3.556 -14.611 1.00 0.00 H new ATOM 1500 N ASP A 97 -10.496 -0.908 -15.011 1.00 0.00 N ATOM 1501 CA ASP A 97 -11.904 -1.197 -15.257 1.00 0.00 C ATOM 1502 C ASP A 97 -12.075 -2.582 -15.873 1.00 0.00 C ATOM 1503 O ASP A 97 -11.411 -2.924 -16.852 1.00 0.00 O ATOM 1504 CB ASP A 97 -12.511 -0.137 -16.178 1.00 0.00 C ATOM 1505 CG ASP A 97 -13.770 -0.623 -16.869 1.00 0.00 C ATOM 1506 OD1 ASP A 97 -13.653 -1.254 -17.941 1.00 0.00 O ATOM 1507 OD2 ASP A 97 -14.872 -0.374 -16.338 1.00 0.00 O ATOM 0 H ASP A 97 -9.982 -0.588 -15.832 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.426 -1.178 -14.300 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.741 0.756 -15.597 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -11.776 0.151 -16.929 1.00 0.00 H new ATOM 1512 N LYS A 98 -12.968 -3.376 -15.293 1.00 0.00 N ATOM 1513 CA LYS A 98 -13.228 -4.724 -15.784 1.00 0.00 C ATOM 1514 C LYS A 98 -14.708 -4.913 -16.097 1.00 0.00 C ATOM 1515 O LYS A 98 -15.172 -6.036 -16.295 1.00 0.00 O ATOM 1516 CB LYS A 98 -12.777 -5.760 -14.751 1.00 0.00 C ATOM 1517 CG LYS A 98 -11.353 -5.555 -14.266 1.00 0.00 C ATOM 1518 CD LYS A 98 -10.356 -6.314 -15.126 1.00 0.00 C ATOM 1519 CE LYS A 98 -9.092 -6.650 -14.350 1.00 0.00 C ATOM 1520 NZ LYS A 98 -8.379 -7.821 -14.932 1.00 0.00 N ATOM 0 H LYS A 98 -13.525 -3.109 -14.481 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.660 -4.865 -16.704 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -13.452 -5.725 -13.896 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -12.864 -6.756 -15.186 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.112 -4.492 -14.281 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.269 -5.887 -13.231 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.815 -7.233 -15.492 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.099 -5.716 -16.000 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.428 -5.786 -14.346 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.348 -6.860 -13.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.591 -8.092 -14.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.039 -8.619 -15.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.008 -7.570 -15.871 1.00 0.00 H new ATOM 1534 N ASN A 99 -15.445 -3.808 -16.142 1.00 0.00 N ATOM 1535 CA ASN A 99 -16.874 -3.853 -16.432 1.00 0.00 C ATOM 1536 C ASN A 99 -17.655 -4.389 -15.236 1.00 0.00 C ATOM 1537 O ASN A 99 -18.478 -5.293 -15.374 1.00 0.00 O ATOM 1538 CB ASN A 99 -17.138 -4.726 -17.661 1.00 0.00 C ATOM 1539 CG ASN A 99 -18.355 -4.269 -18.443 1.00 0.00 C ATOM 1540 OD1 ASN A 99 -18.237 -3.527 -19.418 1.00 0.00 O ATOM 1541 ND2 ASN A 99 -19.532 -4.713 -18.017 1.00 0.00 N ATOM 0 H ASN A 99 -15.077 -2.870 -15.981 1.00 0.00 H new ATOM 0 HA ASN A 99 -17.211 -2.837 -16.637 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -16.263 -4.708 -18.311 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -17.279 -5.760 -17.346 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -20.386 -4.440 -18.503 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -19.582 -5.327 -17.204 1.00 0.00 H new ATOM 1548 N GLY A 100 -17.392 -3.824 -14.062 1.00 0.00 N ATOM 1549 CA GLY A 100 -18.078 -4.257 -12.859 1.00 0.00 C ATOM 1550 C GLY A 100 -17.149 -4.361 -11.666 1.00 0.00 C ATOM 1551 O GLY A 100 -17.562 -4.140 -10.529 1.00 0.00 O ATOM 0 H GLY A 100 -16.715 -3.073 -13.922 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -18.881 -3.556 -12.630 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -18.543 -5.226 -13.039 1.00 0.00 H new ATOM 1555 N GLU A 101 -15.890 -4.700 -11.927 1.00 0.00 N ATOM 1556 CA GLU A 101 -14.900 -4.836 -10.865 1.00 0.00 C ATOM 1557 C GLU A 101 -13.702 -3.925 -11.117 1.00 0.00 C ATOM 1558 O GLU A 101 -13.563 -3.348 -12.196 1.00 0.00 O ATOM 1559 CB GLU A 101 -14.436 -6.290 -10.753 1.00 0.00 C ATOM 1560 CG GLU A 101 -15.575 -7.295 -10.749 1.00 0.00 C ATOM 1561 CD GLU A 101 -15.115 -8.697 -10.402 1.00 0.00 C ATOM 1562 OE1 GLU A 101 -14.256 -8.834 -9.505 1.00 0.00 O ATOM 1563 OE2 GLU A 101 -15.613 -9.657 -11.026 1.00 0.00 O ATOM 0 H GLU A 101 -15.532 -4.885 -12.864 1.00 0.00 H new ATOM 0 HA GLU A 101 -15.368 -4.539 -9.927 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.768 -6.514 -11.585 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.856 -6.408 -9.838 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.332 -6.977 -10.032 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.049 -7.305 -11.730 1.00 0.00 H new ATOM 1570 N THR A 102 -12.839 -3.801 -10.114 1.00 0.00 N ATOM 1571 CA THR A 102 -11.654 -2.960 -10.225 1.00 0.00 C ATOM 1572 C THR A 102 -10.414 -3.687 -9.716 1.00 0.00 C ATOM 1573 O THR A 102 -10.363 -4.110 -8.562 1.00 0.00 O ATOM 1574 CB THR A 102 -11.823 -1.645 -9.442 1.00 0.00 C ATOM 1575 OG1 THR A 102 -12.918 -0.894 -9.976 1.00 0.00 O ATOM 1576 CG2 THR A 102 -10.552 -0.811 -9.503 1.00 0.00 C ATOM 0 H THR A 102 -12.939 -4.273 -9.215 1.00 0.00 H new ATOM 0 HA THR A 102 -11.528 -2.730 -11.283 1.00 0.00 H new ATOM 0 HB THR A 102 -12.027 -1.892 -8.400 1.00 0.00 H new ATOM 0 HG1 THR A 102 -13.733 -1.438 -9.947 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.696 0.113 -8.943 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.726 -1.374 -9.068 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.322 -0.573 -10.542 1.00 0.00 H new ATOM 1584 N GLU A 103 -9.417 -3.826 -10.584 1.00 0.00 N ATOM 1585 CA GLU A 103 -8.177 -4.502 -10.220 1.00 0.00 C ATOM 1586 C GLU A 103 -7.149 -3.506 -9.693 1.00 0.00 C ATOM 1587 O GLU A 103 -6.533 -2.767 -10.462 1.00 0.00 O ATOM 1588 CB GLU A 103 -7.606 -5.252 -11.425 1.00 0.00 C ATOM 1589 CG GLU A 103 -6.227 -5.840 -11.178 1.00 0.00 C ATOM 1590 CD GLU A 103 -5.730 -6.671 -12.345 1.00 0.00 C ATOM 1591 OE1 GLU A 103 -6.219 -7.808 -12.516 1.00 0.00 O ATOM 1592 OE2 GLU A 103 -4.852 -6.184 -13.088 1.00 0.00 O ATOM 0 H GLU A 103 -9.443 -3.480 -11.543 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.402 -5.218 -9.429 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.290 -6.055 -11.700 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.555 -4.572 -12.275 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.521 -5.032 -10.985 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.255 -6.459 -10.282 1.00 0.00 H new ATOM 1599 N LEU A 104 -6.968 -3.491 -8.377 1.00 0.00 N ATOM 1600 CA LEU A 104 -6.015 -2.586 -7.746 1.00 0.00 C ATOM 1601 C LEU A 104 -4.611 -3.183 -7.750 1.00 0.00 C ATOM 1602 O LEU A 104 -4.294 -4.053 -6.938 1.00 0.00 O ATOM 1603 CB LEU A 104 -6.446 -2.279 -6.311 1.00 0.00 C ATOM 1604 CG LEU A 104 -5.595 -1.255 -5.558 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -5.965 0.159 -5.979 1.00 0.00 C ATOM 1606 CD2 LEU A 104 -5.760 -1.426 -4.055 1.00 0.00 C ATOM 0 H LEU A 104 -7.469 -4.096 -7.726 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.998 -1.660 -8.320 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.476 -1.921 -6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.443 -3.211 -5.745 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.548 -1.425 -5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.350 0.874 -5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.795 0.276 -7.049 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.016 0.341 -5.757 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.147 -0.689 -3.536 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.806 -1.283 -3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.445 -2.429 -3.766 1.00 0.00 H new ATOM 1618 N CYS A 105 -3.775 -2.709 -8.667 1.00 0.00 N ATOM 1619 CA CYS A 105 -2.404 -3.196 -8.776 1.00 0.00 C ATOM 1620 C CYS A 105 -1.472 -2.405 -7.863 1.00 0.00 C ATOM 1621 O CYS A 105 -0.966 -1.349 -8.242 1.00 0.00 O ATOM 1622 CB CYS A 105 -1.921 -3.101 -10.224 1.00 0.00 C ATOM 1623 SG CYS A 105 -0.320 -3.886 -10.520 1.00 0.00 S ATOM 0 H CYS A 105 -4.022 -1.989 -9.345 1.00 0.00 H new ATOM 0 HA CYS A 105 -2.389 -4.240 -8.463 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.665 -3.560 -10.875 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.856 -2.050 -10.506 1.00 0.00 H new ATOM 0 HG CYS A 105 0.002 -3.755 -11.773 1.00 0.00 H new ATOM 1629 N MET A 106 -1.253 -2.922 -6.659 1.00 0.00 N ATOM 1630 CA MET A 106 -0.382 -2.263 -5.692 1.00 0.00 C ATOM 1631 C MET A 106 1.085 -2.539 -6.005 1.00 0.00 C ATOM 1632 O MET A 106 1.479 -3.686 -6.212 1.00 0.00 O ATOM 1633 CB MET A 106 -0.710 -2.734 -4.274 1.00 0.00 C ATOM 1634 CG MET A 106 -0.104 -1.861 -3.188 1.00 0.00 C ATOM 1635 SD MET A 106 1.692 -2.000 -3.106 1.00 0.00 S ATOM 1636 CE MET A 106 1.926 -2.344 -1.364 1.00 0.00 C ATOM 0 H MET A 106 -1.666 -3.794 -6.329 1.00 0.00 H new ATOM 0 HA MET A 106 -0.554 -1.189 -5.759 1.00 0.00 H new ATOM 0 HB2 MET A 106 -1.793 -2.756 -4.149 1.00 0.00 H new ATOM 0 HB3 MET A 106 -0.353 -3.756 -4.148 1.00 0.00 H new ATOM 0 HG2 MET A 106 -0.376 -0.821 -3.369 1.00 0.00 H new ATOM 0 HG3 MET A 106 -0.530 -2.139 -2.224 1.00 0.00 H new ATOM 0 HE1 MET A 106 2.882 -2.847 -1.218 1.00 0.00 H new ATOM 0 HE2 MET A 106 1.918 -1.409 -0.804 1.00 0.00 H new ATOM 0 HE3 MET A 106 1.120 -2.986 -1.008 1.00 0.00 H new ATOM 1646 N GLU A 107 1.888 -1.480 -6.039 1.00 0.00 N ATOM 1647 CA GLU A 107 3.311 -1.610 -6.329 1.00 0.00 C ATOM 1648 C GLU A 107 4.142 -0.776 -5.358 1.00 0.00 C ATOM 1649 O GLU A 107 4.302 0.431 -5.538 1.00 0.00 O ATOM 1650 CB GLU A 107 3.603 -1.178 -7.768 1.00 0.00 C ATOM 1651 CG GLU A 107 4.822 -1.856 -8.371 1.00 0.00 C ATOM 1652 CD GLU A 107 5.342 -1.135 -9.599 1.00 0.00 C ATOM 1653 OE1 GLU A 107 4.560 -0.952 -10.555 1.00 0.00 O ATOM 1654 OE2 GLU A 107 6.531 -0.753 -9.605 1.00 0.00 O ATOM 0 H GLU A 107 1.577 -0.523 -5.869 1.00 0.00 H new ATOM 0 HA GLU A 107 3.586 -2.658 -6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.733 -1.396 -8.387 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.749 -0.098 -7.792 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.612 -1.907 -7.622 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.568 -2.882 -8.637 1.00 0.00 H new ATOM 1661 N GLY A 108 4.669 -1.429 -4.327 1.00 0.00 N ATOM 1662 CA GLY A 108 5.476 -0.733 -3.342 1.00 0.00 C ATOM 1663 C GLY A 108 6.931 -1.156 -3.381 1.00 0.00 C ATOM 1664 O GLY A 108 7.237 -2.339 -3.534 1.00 0.00 O ATOM 0 H GLY A 108 4.551 -2.428 -4.156 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.408 0.341 -3.515 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.072 -0.922 -2.347 1.00 0.00 H new ATOM 1668 N ARG A 109 7.831 -0.188 -3.244 1.00 0.00 N ATOM 1669 CA ARG A 109 9.262 -0.467 -3.268 1.00 0.00 C ATOM 1670 C ARG A 109 9.989 0.331 -2.190 1.00 0.00 C ATOM 1671 O ARG A 109 10.002 1.561 -2.216 1.00 0.00 O ATOM 1672 CB ARG A 109 9.845 -0.135 -4.643 1.00 0.00 C ATOM 1673 CG ARG A 109 9.389 1.207 -5.191 1.00 0.00 C ATOM 1674 CD ARG A 109 8.115 1.071 -6.009 1.00 0.00 C ATOM 1675 NE ARG A 109 7.691 2.347 -6.579 1.00 0.00 N ATOM 1676 CZ ARG A 109 6.926 2.452 -7.660 1.00 0.00 C ATOM 1677 NH1 ARG A 109 6.503 1.361 -8.284 1.00 0.00 N ATOM 1678 NH2 ARG A 109 6.583 3.649 -8.118 1.00 0.00 N ATOM 0 H ARG A 109 7.595 0.796 -3.115 1.00 0.00 H new ATOM 0 HA ARG A 109 9.403 -1.529 -3.068 1.00 0.00 H new ATOM 0 HB2 ARG A 109 10.933 -0.140 -4.578 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.564 -0.919 -5.346 1.00 0.00 H new ATOM 0 HG2 ARG A 109 9.221 1.900 -4.366 1.00 0.00 H new ATOM 0 HG3 ARG A 109 10.177 1.635 -5.811 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.275 0.351 -6.811 1.00 0.00 H new ATOM 0 HD3 ARG A 109 7.320 0.674 -5.378 1.00 0.00 H new ATOM 0 HE ARG A 109 7.999 3.205 -6.122 1.00 0.00 H new ATOM 0 HH11 ARG A 109 6.765 0.439 -7.934 1.00 0.00 H new ATOM 0 HH12 ARG A 109 5.916 1.443 -9.114 1.00 0.00 H new ATOM 0 HH21 ARG A 109 6.907 4.490 -7.640 1.00 0.00 H new ATOM 0 HH22 ARG A 109 5.996 3.728 -8.948 1.00 0.00 H new ATOM 1692 N GLY A 110 10.594 -0.378 -1.241 1.00 0.00 N ATOM 1693 CA GLY A 110 11.314 0.281 -0.167 1.00 0.00 C ATOM 1694 C GLY A 110 10.919 -0.241 1.200 1.00 0.00 C ATOM 1695 O GLY A 110 11.379 0.269 2.222 1.00 0.00 O ATOM 0 H GLY A 110 10.598 -1.397 -1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.385 0.139 -0.311 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.125 1.354 -0.212 1.00 0.00 H new ATOM 1699 N ILE A 111 10.063 -1.257 1.220 1.00 0.00 N ATOM 1700 CA ILE A 111 9.606 -1.846 2.472 1.00 0.00 C ATOM 1701 C ILE A 111 10.733 -2.604 3.166 1.00 0.00 C ATOM 1702 O ILE A 111 11.383 -3.471 2.582 1.00 0.00 O ATOM 1703 CB ILE A 111 8.422 -2.804 2.245 1.00 0.00 C ATOM 1704 CG1 ILE A 111 7.144 -2.012 1.961 1.00 0.00 C ATOM 1705 CG2 ILE A 111 8.234 -3.709 3.453 1.00 0.00 C ATOM 1706 CD1 ILE A 111 6.916 -1.739 0.491 1.00 0.00 C ATOM 0 H ILE A 111 9.672 -1.689 0.383 1.00 0.00 H new ATOM 0 HA ILE A 111 9.279 -1.023 3.107 1.00 0.00 H new ATOM 0 HB ILE A 111 8.640 -3.428 1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 111 6.290 -2.562 2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 111 7.188 -1.063 2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 111 7.393 -4.380 3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 111 9.139 -4.295 3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 111 8.035 -3.101 4.336 1.00 0.00 H new ATOM 0 HD11 ILE A 111 5.992 -1.174 0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 111 7.751 -1.162 0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 111 6.840 -2.684 -0.047 1.00 0.00 H new ATOM 1718 N PRO A 112 10.970 -2.272 4.444 1.00 0.00 N ATOM 1719 CA PRO A 112 12.017 -2.912 5.247 1.00 0.00 C ATOM 1720 C PRO A 112 11.979 -4.432 5.143 1.00 0.00 C ATOM 1721 O PRO A 112 10.931 -5.051 5.326 1.00 0.00 O ATOM 1722 CB PRO A 112 11.691 -2.465 6.675 1.00 0.00 C ATOM 1723 CG PRO A 112 10.961 -1.177 6.511 1.00 0.00 C ATOM 1724 CD PRO A 112 10.234 -1.248 5.204 1.00 0.00 C ATOM 0 HA PRO A 112 13.016 -2.630 4.915 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.079 -3.204 7.191 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.598 -2.334 7.266 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.262 -1.023 7.333 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.655 -0.337 6.521 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.190 -1.527 5.343 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.241 -0.287 4.690 1.00 0.00 H new ATOM 1732 N ALA A 113 13.130 -5.029 4.849 1.00 0.00 N ATOM 1733 CA ALA A 113 13.228 -6.478 4.724 1.00 0.00 C ATOM 1734 C ALA A 113 12.736 -7.174 5.988 1.00 0.00 C ATOM 1735 O ALA A 113 12.032 -8.182 5.937 1.00 0.00 O ATOM 1736 CB ALA A 113 14.663 -6.885 4.420 1.00 0.00 C ATOM 0 H ALA A 113 14.007 -4.532 4.693 1.00 0.00 H new ATOM 0 HA ALA A 113 12.589 -6.790 3.898 1.00 0.00 H new ATOM 0 HB1 ALA A 113 14.722 -7.970 4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 113 14.981 -6.425 3.485 1.00 0.00 H new ATOM 0 HB3 ALA A 113 15.314 -6.553 5.228 1.00 0.00 H new ATOM 1742 N PRO A 114 13.114 -6.624 7.152 1.00 0.00 N ATOM 1743 CA PRO A 114 12.722 -7.176 8.452 1.00 0.00 C ATOM 1744 C PRO A 114 11.253 -6.921 8.771 1.00 0.00 C ATOM 1745 O PRO A 114 10.713 -7.470 9.731 1.00 0.00 O ATOM 1746 CB PRO A 114 13.621 -6.429 9.441 1.00 0.00 C ATOM 1747 CG PRO A 114 13.964 -5.154 8.751 1.00 0.00 C ATOM 1748 CD PRO A 114 13.953 -5.422 7.288 1.00 0.00 C ATOM 0 HA PRO A 114 12.836 -8.259 8.485 1.00 0.00 H new ATOM 0 HB2 PRO A 114 13.105 -6.243 10.383 1.00 0.00 H new ATOM 0 HB3 PRO A 114 14.516 -7.005 9.676 1.00 0.00 H new ATOM 0 HG2 PRO A 114 13.244 -4.375 9.004 1.00 0.00 H new ATOM 0 HG3 PRO A 114 14.944 -4.798 9.068 1.00 0.00 H new ATOM 0 HD2 PRO A 114 13.539 -4.581 6.731 1.00 0.00 H new ATOM 0 HD3 PRO A 114 14.960 -5.593 6.906 1.00 0.00 H new ATOM 1756 N GLU A 115 10.612 -6.086 7.959 1.00 0.00 N ATOM 1757 CA GLU A 115 9.205 -5.760 8.156 1.00 0.00 C ATOM 1758 C GLU A 115 8.370 -6.204 6.959 1.00 0.00 C ATOM 1759 O GLU A 115 7.141 -6.162 6.997 1.00 0.00 O ATOM 1760 CB GLU A 115 9.034 -4.256 8.381 1.00 0.00 C ATOM 1761 CG GLU A 115 10.005 -3.678 9.396 1.00 0.00 C ATOM 1762 CD GLU A 115 9.476 -3.747 10.815 1.00 0.00 C ATOM 1763 OE1 GLU A 115 9.407 -4.864 11.370 1.00 0.00 O ATOM 1764 OE2 GLU A 115 9.130 -2.684 11.372 1.00 0.00 O ATOM 0 H GLU A 115 11.045 -5.624 7.159 1.00 0.00 H new ATOM 0 HA GLU A 115 8.855 -6.295 9.039 1.00 0.00 H new ATOM 0 HB2 GLU A 115 9.164 -3.738 7.431 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.015 -4.061 8.714 1.00 0.00 H new ATOM 0 HG2 GLU A 115 10.950 -4.218 9.338 1.00 0.00 H new ATOM 0 HG3 GLU A 115 10.216 -2.639 9.141 1.00 0.00 H new ATOM 1771 N GLU A 116 9.048 -6.629 5.897 1.00 0.00 N ATOM 1772 CA GLU A 116 8.369 -7.080 4.688 1.00 0.00 C ATOM 1773 C GLU A 116 7.160 -7.945 5.033 1.00 0.00 C ATOM 1774 O GLU A 116 6.066 -7.737 4.510 1.00 0.00 O ATOM 1775 CB GLU A 116 9.334 -7.865 3.797 1.00 0.00 C ATOM 1776 CG GLU A 116 8.679 -8.448 2.556 1.00 0.00 C ATOM 1777 CD GLU A 116 9.655 -9.219 1.689 1.00 0.00 C ATOM 1778 OE1 GLU A 116 10.331 -10.126 2.218 1.00 0.00 O ATOM 1779 OE2 GLU A 116 9.742 -8.916 0.481 1.00 0.00 O ATOM 0 H GLU A 116 10.066 -6.670 5.850 1.00 0.00 H new ATOM 0 HA GLU A 116 8.021 -6.199 4.148 1.00 0.00 H new ATOM 0 HB2 GLU A 116 10.150 -7.209 3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 116 9.776 -8.674 4.379 1.00 0.00 H new ATOM 0 HG2 GLU A 116 7.865 -9.108 2.855 1.00 0.00 H new ATOM 0 HG3 GLU A 116 8.237 -7.642 1.970 1.00 0.00 H new ATOM 1786 N GLU A 117 7.367 -8.915 5.919 1.00 0.00 N ATOM 1787 CA GLU A 117 6.295 -9.812 6.333 1.00 0.00 C ATOM 1788 C GLU A 117 5.189 -9.043 7.051 1.00 0.00 C ATOM 1789 O GLU A 117 4.088 -8.883 6.526 1.00 0.00 O ATOM 1790 CB GLU A 117 6.843 -10.911 7.245 1.00 0.00 C ATOM 1791 CG GLU A 117 5.818 -11.975 7.600 1.00 0.00 C ATOM 1792 CD GLU A 117 6.223 -12.795 8.810 1.00 0.00 C ATOM 1793 OE1 GLU A 117 6.223 -12.239 9.928 1.00 0.00 O ATOM 1794 OE2 GLU A 117 6.539 -13.990 8.638 1.00 0.00 O ATOM 0 H GLU A 117 8.267 -9.099 6.363 1.00 0.00 H new ATOM 0 HA GLU A 117 5.873 -10.270 5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 117 7.693 -11.386 6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 117 7.216 -10.457 8.163 1.00 0.00 H new ATOM 0 HG2 GLU A 117 4.857 -11.498 7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 117 5.678 -12.638 6.747 1.00 0.00 H new ATOM 1801 N ARG A 118 5.492 -8.571 8.256 1.00 0.00 N ATOM 1802 CA ARG A 118 4.525 -7.821 9.048 1.00 0.00 C ATOM 1803 C ARG A 118 3.718 -6.873 8.165 1.00 0.00 C ATOM 1804 O ARG A 118 2.486 -6.905 8.165 1.00 0.00 O ATOM 1805 CB ARG A 118 5.237 -7.029 10.146 1.00 0.00 C ATOM 1806 CG ARG A 118 4.312 -6.120 10.939 1.00 0.00 C ATOM 1807 CD ARG A 118 5.052 -4.906 11.479 1.00 0.00 C ATOM 1808 NE ARG A 118 4.165 -4.002 12.205 1.00 0.00 N ATOM 1809 CZ ARG A 118 3.691 -4.256 13.420 1.00 0.00 C ATOM 1810 NH1 ARG A 118 4.019 -5.380 14.041 1.00 0.00 N ATOM 1811 NH2 ARG A 118 2.888 -3.384 14.015 1.00 0.00 N ATOM 0 H ARG A 118 6.399 -8.695 8.705 1.00 0.00 H new ATOM 0 HA ARG A 118 3.840 -8.533 9.509 1.00 0.00 H new ATOM 0 HB2 ARG A 118 5.721 -7.727 10.830 1.00 0.00 H new ATOM 0 HB3 ARG A 118 6.025 -6.427 9.695 1.00 0.00 H new ATOM 0 HG2 ARG A 118 3.489 -5.793 10.303 1.00 0.00 H new ATOM 0 HG3 ARG A 118 3.873 -6.678 11.766 1.00 0.00 H new ATOM 0 HD2 ARG A 118 5.854 -5.235 12.140 1.00 0.00 H new ATOM 0 HD3 ARG A 118 5.519 -4.370 10.653 1.00 0.00 H new ATOM 0 HE ARG A 118 3.894 -3.128 11.755 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.637 -6.052 13.586 1.00 0.00 H new ATOM 0 HH12 ARG A 118 3.654 -5.573 14.974 1.00 0.00 H new ATOM 0 HH21 ARG A 118 2.634 -2.518 13.540 1.00 0.00 H new ATOM 0 HH22 ARG A 118 2.524 -3.580 14.948 1.00 0.00 H new ATOM 1825 N THR A 119 4.419 -6.030 7.414 1.00 0.00 N ATOM 1826 CA THR A 119 3.769 -5.073 6.528 1.00 0.00 C ATOM 1827 C THR A 119 2.715 -5.753 5.662 1.00 0.00 C ATOM 1828 O THR A 119 1.516 -5.544 5.847 1.00 0.00 O ATOM 1829 CB THR A 119 4.790 -4.368 5.616 1.00 0.00 C ATOM 1830 OG1 THR A 119 5.859 -3.829 6.401 1.00 0.00 O ATOM 1831 CG2 THR A 119 4.127 -3.253 4.821 1.00 0.00 C ATOM 0 H THR A 119 5.438 -5.991 7.402 1.00 0.00 H new ATOM 0 HA THR A 119 3.288 -4.330 7.164 1.00 0.00 H new ATOM 0 HB THR A 119 5.188 -5.104 4.918 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.498 -4.540 6.616 1.00 0.00 H new ATOM 0 HG21 THR A 119 4.868 -2.770 4.184 1.00 0.00 H new ATOM 0 HG22 THR A 119 3.333 -3.670 4.202 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.704 -2.519 5.507 1.00 0.00 H new ATOM 1839 N ARG A 120 3.170 -6.569 4.716 1.00 0.00 N ATOM 1840 CA ARG A 120 2.265 -7.280 3.821 1.00 0.00 C ATOM 1841 C ARG A 120 1.210 -8.048 4.611 1.00 0.00 C ATOM 1842 O ARG A 120 0.103 -8.278 4.125 1.00 0.00 O ATOM 1843 CB ARG A 120 3.050 -8.244 2.928 1.00 0.00 C ATOM 1844 CG ARG A 120 2.416 -8.464 1.565 1.00 0.00 C ATOM 1845 CD ARG A 120 2.794 -9.819 0.987 1.00 0.00 C ATOM 1846 NE ARG A 120 2.661 -9.851 -0.467 1.00 0.00 N ATOM 1847 CZ ARG A 120 3.585 -9.383 -1.299 1.00 0.00 C ATOM 1848 NH1 ARG A 120 4.702 -8.851 -0.824 1.00 0.00 N ATOM 1849 NH2 ARG A 120 3.392 -9.447 -2.610 1.00 0.00 N ATOM 0 H ARG A 120 4.159 -6.754 4.550 1.00 0.00 H new ATOM 0 HA ARG A 120 1.761 -6.543 3.195 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.060 -7.858 2.791 1.00 0.00 H new ATOM 0 HB3 ARG A 120 3.141 -9.204 3.436 1.00 0.00 H new ATOM 0 HG2 ARG A 120 1.332 -8.394 1.651 1.00 0.00 H new ATOM 0 HG3 ARG A 120 2.733 -7.675 0.883 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.822 -10.056 1.262 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.160 -10.590 1.426 1.00 0.00 H new ATOM 0 HE ARG A 120 1.813 -10.254 -0.865 1.00 0.00 H new ATOM 0 HH11 ARG A 120 4.854 -8.800 0.183 1.00 0.00 H new ATOM 0 HH12 ARG A 120 5.409 -8.493 -1.466 1.00 0.00 H new ATOM 0 HH21 ARG A 120 2.534 -9.856 -2.980 1.00 0.00 H new ATOM 0 HH22 ARG A 120 4.102 -9.087 -3.248 1.00 0.00 H new ATOM 1863 N GLN A 121 1.561 -8.441 5.831 1.00 0.00 N ATOM 1864 CA GLN A 121 0.644 -9.183 6.688 1.00 0.00 C ATOM 1865 C GLN A 121 -0.479 -8.283 7.193 1.00 0.00 C ATOM 1866 O GLN A 121 -1.633 -8.701 7.277 1.00 0.00 O ATOM 1867 CB GLN A 121 1.398 -9.791 7.872 1.00 0.00 C ATOM 1868 CG GLN A 121 2.237 -11.003 7.502 1.00 0.00 C ATOM 1869 CD GLN A 121 1.394 -12.182 7.056 1.00 0.00 C ATOM 1870 OE1 GLN A 121 0.194 -12.239 7.326 1.00 0.00 O ATOM 1871 NE2 GLN A 121 2.019 -13.131 6.369 1.00 0.00 N ATOM 0 H GLN A 121 2.474 -8.258 6.248 1.00 0.00 H new ATOM 0 HA GLN A 121 0.203 -9.985 6.096 1.00 0.00 H new ATOM 0 HB2 GLN A 121 2.046 -9.031 8.308 1.00 0.00 H new ATOM 0 HB3 GLN A 121 0.680 -10.077 8.641 1.00 0.00 H new ATOM 0 HG2 GLN A 121 2.927 -10.732 6.703 1.00 0.00 H new ATOM 0 HG3 GLN A 121 2.842 -11.297 8.360 1.00 0.00 H new ATOM 0 HE21 GLN A 121 3.015 -13.043 6.168 1.00 0.00 H new ATOM 0 HE22 GLN A 121 1.503 -13.948 6.043 1.00 0.00 H new ATOM 1880 N GLY A 122 -0.132 -7.044 7.528 1.00 0.00 N ATOM 1881 CA GLY A 122 -1.123 -6.104 8.021 1.00 0.00 C ATOM 1882 C GLY A 122 -1.401 -4.986 7.036 1.00 0.00 C ATOM 1883 O GLY A 122 -1.812 -3.894 7.428 1.00 0.00 O ATOM 0 H GLY A 122 0.817 -6.674 7.467 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.050 -6.636 8.233 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.778 -5.677 8.963 1.00 0.00 H new ATOM 1887 N TRP A 123 -1.175 -5.257 5.756 1.00 0.00 N ATOM 1888 CA TRP A 123 -1.403 -4.264 4.712 1.00 0.00 C ATOM 1889 C TRP A 123 -2.804 -4.400 4.128 1.00 0.00 C ATOM 1890 O TRP A 123 -3.647 -3.521 4.302 1.00 0.00 O ATOM 1891 CB TRP A 123 -0.358 -4.409 3.605 1.00 0.00 C ATOM 1892 CG TRP A 123 -0.010 -3.110 2.943 1.00 0.00 C ATOM 1893 CD1 TRP A 123 0.948 -2.220 3.337 1.00 0.00 C ATOM 1894 CD2 TRP A 123 -0.618 -2.555 1.772 1.00 0.00 C ATOM 1895 NE1 TRP A 123 0.972 -1.145 2.482 1.00 0.00 N ATOM 1896 CE2 TRP A 123 0.022 -1.327 1.512 1.00 0.00 C ATOM 1897 CE3 TRP A 123 -1.639 -2.976 0.916 1.00 0.00 C ATOM 1898 CZ2 TRP A 123 -0.329 -0.519 0.434 1.00 0.00 C ATOM 1899 CZ3 TRP A 123 -1.986 -2.173 -0.153 1.00 0.00 C ATOM 1900 CH2 TRP A 123 -1.332 -0.956 -0.387 1.00 0.00 C ATOM 0 H TRP A 123 -0.834 -6.156 5.416 1.00 0.00 H new ATOM 0 HA TRP A 123 -1.312 -3.274 5.160 1.00 0.00 H new ATOM 0 HB2 TRP A 123 0.547 -4.849 4.025 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -0.730 -5.104 2.852 1.00 0.00 H new ATOM 0 HD1 TRP A 123 1.592 -2.343 4.195 1.00 0.00 H new ATOM 0 HE1 TRP A 123 1.596 -0.342 2.557 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.148 -3.913 1.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 0.173 0.420 0.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -2.775 -2.489 -0.820 1.00 0.00 H new ATOM 0 HH2 TRP A 123 -1.626 -0.351 -1.232 1.00 0.00 H new ATOM 1911 N GLN A 124 -3.046 -5.508 3.434 1.00 0.00 N ATOM 1912 CA GLN A 124 -4.346 -5.757 2.823 1.00 0.00 C ATOM 1913 C GLN A 124 -5.418 -5.964 3.889 1.00 0.00 C ATOM 1914 O GLN A 124 -6.565 -5.553 3.717 1.00 0.00 O ATOM 1915 CB GLN A 124 -4.277 -6.982 1.908 1.00 0.00 C ATOM 1916 CG GLN A 124 -3.401 -6.777 0.684 1.00 0.00 C ATOM 1917 CD GLN A 124 -2.642 -8.031 0.293 1.00 0.00 C ATOM 1918 OE1 GLN A 124 -2.734 -8.498 -0.842 1.00 0.00 O ATOM 1919 NE2 GLN A 124 -1.886 -8.583 1.235 1.00 0.00 N ATOM 0 H GLN A 124 -2.359 -6.247 3.281 1.00 0.00 H new ATOM 0 HA GLN A 124 -4.614 -4.883 2.229 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -3.898 -7.830 2.478 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.285 -7.241 1.584 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -4.022 -6.457 -0.153 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -2.691 -5.973 0.880 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -1.839 -8.162 2.163 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -1.352 -9.428 1.031 1.00 0.00 H new ATOM 1928 N ARG A 125 -5.035 -6.603 4.989 1.00 0.00 N ATOM 1929 CA ARG A 125 -5.964 -6.866 6.082 1.00 0.00 C ATOM 1930 C ARG A 125 -6.799 -5.627 6.395 1.00 0.00 C ATOM 1931 O ARG A 125 -7.916 -5.731 6.901 1.00 0.00 O ATOM 1932 CB ARG A 125 -5.201 -7.309 7.332 1.00 0.00 C ATOM 1933 CG ARG A 125 -4.993 -8.812 7.417 1.00 0.00 C ATOM 1934 CD ARG A 125 -4.393 -9.217 8.754 1.00 0.00 C ATOM 1935 NE ARG A 125 -4.691 -10.607 9.090 1.00 0.00 N ATOM 1936 CZ ARG A 125 -4.335 -11.179 10.235 1.00 0.00 C ATOM 1937 NH1 ARG A 125 -3.672 -10.484 11.149 1.00 0.00 N ATOM 1938 NH2 ARG A 125 -4.644 -12.448 10.468 1.00 0.00 N ATOM 0 H ARG A 125 -4.088 -6.948 5.147 1.00 0.00 H new ATOM 0 HA ARG A 125 -6.635 -7.667 5.771 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -4.230 -6.815 7.349 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -5.744 -6.975 8.216 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -5.947 -9.321 7.276 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -4.336 -9.136 6.609 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -3.313 -9.075 8.724 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -4.779 -8.564 9.537 1.00 0.00 H new ATOM 0 HE ARG A 125 -5.200 -11.169 8.408 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -3.434 -9.508 10.974 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -3.400 -10.926 12.027 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -5.155 -12.985 9.768 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -4.370 -12.886 11.347 1.00 0.00 H new ATOM 1952 N TYR A 126 -6.248 -4.457 6.092 1.00 0.00 N ATOM 1953 CA TYR A 126 -6.940 -3.199 6.344 1.00 0.00 C ATOM 1954 C TYR A 126 -7.217 -2.459 5.039 1.00 0.00 C ATOM 1955 O TYR A 126 -8.284 -1.871 4.859 1.00 0.00 O ATOM 1956 CB TYR A 126 -6.112 -2.315 7.279 1.00 0.00 C ATOM 1957 CG TYR A 126 -5.331 -3.093 8.313 1.00 0.00 C ATOM 1958 CD1 TYR A 126 -5.896 -4.182 8.966 1.00 0.00 C ATOM 1959 CD2 TYR A 126 -4.026 -2.740 8.636 1.00 0.00 C ATOM 1960 CE1 TYR A 126 -5.186 -4.895 9.912 1.00 0.00 C ATOM 1961 CE2 TYR A 126 -3.308 -3.449 9.580 1.00 0.00 C ATOM 1962 CZ TYR A 126 -3.892 -4.525 10.216 1.00 0.00 C ATOM 1963 OH TYR A 126 -3.181 -5.233 11.157 1.00 0.00 O ATOM 0 H TYR A 126 -5.324 -4.354 5.672 1.00 0.00 H new ATOM 0 HA TYR A 126 -7.893 -3.427 6.821 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -5.419 -1.720 6.684 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -6.776 -1.616 7.788 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -6.908 -4.476 8.730 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.566 -1.898 8.141 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -5.641 -5.738 10.411 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -2.295 -3.162 9.819 1.00 0.00 H new ATOM 0 HH TYR A 126 -2.287 -4.844 11.252 1.00 0.00 H new ATOM 1973 N TYR A 127 -6.248 -2.493 4.131 1.00 0.00 N ATOM 1974 CA TYR A 127 -6.385 -1.824 2.842 1.00 0.00 C ATOM 1975 C TYR A 127 -7.574 -2.380 2.064 1.00 0.00 C ATOM 1976 O TYR A 127 -8.561 -1.682 1.833 1.00 0.00 O ATOM 1977 CB TYR A 127 -5.104 -1.985 2.022 1.00 0.00 C ATOM 1978 CG TYR A 127 -4.215 -0.762 2.043 1.00 0.00 C ATOM 1979 CD1 TYR A 127 -3.914 -0.118 3.236 1.00 0.00 C ATOM 1980 CD2 TYR A 127 -3.675 -0.252 0.868 1.00 0.00 C ATOM 1981 CE1 TYR A 127 -3.102 1.000 3.259 1.00 0.00 C ATOM 1982 CE2 TYR A 127 -2.861 0.864 0.882 1.00 0.00 C ATOM 1983 CZ TYR A 127 -2.578 1.487 2.080 1.00 0.00 C ATOM 1984 OH TYR A 127 -1.768 2.599 2.099 1.00 0.00 O ATOM 0 H TYR A 127 -5.360 -2.976 4.263 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.559 -0.764 3.027 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -4.543 -2.838 2.403 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.369 -2.213 0.990 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -4.321 -0.497 4.161 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -3.896 -0.736 -0.072 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -2.879 1.490 4.195 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -2.448 1.247 -0.040 1.00 0.00 H new ATOM 0 HH TYR A 127 -1.227 2.596 2.916 1.00 0.00 H new ATOM 1994 N PHE A 128 -7.471 -3.643 1.662 1.00 0.00 N ATOM 1995 CA PHE A 128 -8.537 -4.294 0.909 1.00 0.00 C ATOM 1996 C PHE A 128 -9.485 -5.040 1.843 1.00 0.00 C ATOM 1997 O PHE A 128 -10.646 -4.662 1.995 1.00 0.00 O ATOM 1998 CB PHE A 128 -7.946 -5.264 -0.117 1.00 0.00 C ATOM 1999 CG PHE A 128 -6.707 -4.744 -0.788 1.00 0.00 C ATOM 2000 CD1 PHE A 128 -6.438 -3.386 -0.821 1.00 0.00 C ATOM 2001 CD2 PHE A 128 -5.811 -5.615 -1.388 1.00 0.00 C ATOM 2002 CE1 PHE A 128 -5.298 -2.904 -1.437 1.00 0.00 C ATOM 2003 CE2 PHE A 128 -4.670 -5.140 -2.006 1.00 0.00 C ATOM 2004 CZ PHE A 128 -4.414 -3.783 -2.032 1.00 0.00 C ATOM 0 H PHE A 128 -6.661 -4.235 1.845 1.00 0.00 H new ATOM 0 HA PHE A 128 -9.102 -3.522 0.386 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.713 -6.207 0.378 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.698 -5.480 -0.876 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -7.128 -2.695 -0.360 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -6.007 -6.677 -1.372 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -5.099 -1.843 -1.453 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -3.979 -5.829 -2.468 1.00 0.00 H new ATOM 0 HZ PHE A 128 -3.524 -3.410 -2.517 1.00 0.00 H new ATOM 2014 N GLU A 129 -8.981 -6.101 2.465 1.00 0.00 N ATOM 2015 CA GLU A 129 -9.784 -6.900 3.383 1.00 0.00 C ATOM 2016 C GLU A 129 -10.766 -6.023 4.153 1.00 0.00 C ATOM 2017 O GLU A 129 -11.863 -6.457 4.501 1.00 0.00 O ATOM 2018 CB GLU A 129 -8.881 -7.654 4.362 1.00 0.00 C ATOM 2019 CG GLU A 129 -8.053 -8.747 3.708 1.00 0.00 C ATOM 2020 CD GLU A 129 -8.761 -10.088 3.698 1.00 0.00 C ATOM 2021 OE1 GLU A 129 -9.999 -10.103 3.537 1.00 0.00 O ATOM 2022 OE2 GLU A 129 -8.077 -11.122 3.851 1.00 0.00 O ATOM 0 H GLU A 129 -8.021 -6.427 2.350 1.00 0.00 H new ATOM 0 HA GLU A 129 -10.352 -7.620 2.794 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -8.211 -6.943 4.847 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -9.497 -8.096 5.145 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -7.819 -8.456 2.684 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -7.105 -8.845 4.237 1.00 0.00 H new ATOM 2029 N GLY A 130 -10.363 -4.783 4.416 1.00 0.00 N ATOM 2030 CA GLY A 130 -11.218 -3.863 5.143 1.00 0.00 C ATOM 2031 C GLY A 130 -12.322 -3.291 4.277 1.00 0.00 C ATOM 2032 O GLY A 130 -13.475 -3.208 4.704 1.00 0.00 O ATOM 0 H GLY A 130 -9.460 -4.400 4.138 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -11.660 -4.379 5.996 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -10.614 -3.048 5.541 1.00 0.00 H new ATOM 2036 N ILE A 131 -11.971 -2.893 3.059 1.00 0.00 N ATOM 2037 CA ILE A 131 -12.942 -2.325 2.132 1.00 0.00 C ATOM 2038 C ILE A 131 -13.848 -3.406 1.553 1.00 0.00 C ATOM 2039 O ILE A 131 -15.066 -3.240 1.485 1.00 0.00 O ATOM 2040 CB ILE A 131 -12.247 -1.581 0.976 1.00 0.00 C ATOM 2041 CG1 ILE A 131 -11.377 -0.447 1.521 1.00 0.00 C ATOM 2042 CG2 ILE A 131 -13.280 -1.040 -0.002 1.00 0.00 C ATOM 2043 CD1 ILE A 131 -10.286 -0.011 0.567 1.00 0.00 C ATOM 0 H ILE A 131 -11.022 -2.953 2.691 1.00 0.00 H new ATOM 0 HA ILE A 131 -13.544 -1.616 2.701 1.00 0.00 H new ATOM 0 HB ILE A 131 -11.605 -2.283 0.445 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -12.012 0.409 1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -10.922 -0.767 2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -12.774 -0.517 -0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -13.862 -1.866 -0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -13.945 -0.349 0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -9.709 0.796 1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -9.628 -0.854 0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -10.734 0.340 -0.362 1.00 0.00 H new ATOM 2055 N LYS A 132 -13.246 -4.516 1.140 1.00 0.00 N ATOM 2056 CA LYS A 132 -13.998 -5.628 0.570 1.00 0.00 C ATOM 2057 C LYS A 132 -15.141 -6.041 1.492 1.00 0.00 C ATOM 2058 O LYS A 132 -16.170 -6.536 1.034 1.00 0.00 O ATOM 2059 CB LYS A 132 -13.073 -6.821 0.321 1.00 0.00 C ATOM 2060 CG LYS A 132 -12.220 -6.679 -0.928 1.00 0.00 C ATOM 2061 CD LYS A 132 -11.406 -7.935 -1.193 1.00 0.00 C ATOM 2062 CE LYS A 132 -11.058 -8.072 -2.668 1.00 0.00 C ATOM 2063 NZ LYS A 132 -10.786 -9.487 -3.044 1.00 0.00 N ATOM 0 H LYS A 132 -12.239 -4.670 1.189 1.00 0.00 H new ATOM 0 HA LYS A 132 -14.421 -5.300 -0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -12.420 -6.950 1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -13.675 -7.726 0.239 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -12.860 -6.472 -1.785 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -11.550 -5.827 -0.817 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -10.490 -7.908 -0.603 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -11.969 -8.810 -0.868 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -11.879 -7.687 -3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -10.183 -7.462 -2.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -10.391 -9.521 -4.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -10.105 -9.899 -2.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -11.672 -10.030 -3.015 1.00 0.00 H new ATOM 2077 N GLN A 133 -14.952 -5.833 2.791 1.00 0.00 N ATOM 2078 CA GLN A 133 -15.968 -6.184 3.776 1.00 0.00 C ATOM 2079 C GLN A 133 -16.768 -4.954 4.195 1.00 0.00 C ATOM 2080 O GLN A 133 -17.995 -4.936 4.101 1.00 0.00 O ATOM 2081 CB GLN A 133 -15.320 -6.828 5.002 1.00 0.00 C ATOM 2082 CG GLN A 133 -14.336 -7.934 4.660 1.00 0.00 C ATOM 2083 CD GLN A 133 -14.987 -9.303 4.620 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -15.218 -9.862 3.547 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -15.288 -9.850 5.791 1.00 0.00 N ATOM 0 H GLN A 133 -14.105 -5.423 3.186 1.00 0.00 H new ATOM 0 HA GLN A 133 -16.650 -6.900 3.317 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -14.804 -6.059 5.576 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -16.101 -7.234 5.644 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -13.881 -7.724 3.692 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -13.532 -7.940 5.396 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -15.079 -9.351 6.656 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -15.729 -10.769 5.826 1.00 0.00 H new ATOM 2094 N THR A 134 -16.063 -3.926 4.658 1.00 0.00 N ATOM 2095 CA THR A 134 -16.706 -2.693 5.093 1.00 0.00 C ATOM 2096 C THR A 134 -17.596 -2.120 3.996 1.00 0.00 C ATOM 2097 O THR A 134 -18.788 -1.892 4.205 1.00 0.00 O ATOM 2098 CB THR A 134 -15.668 -1.632 5.502 1.00 0.00 C ATOM 2099 OG1 THR A 134 -14.877 -2.115 6.594 1.00 0.00 O ATOM 2100 CG2 THR A 134 -16.350 -0.332 5.900 1.00 0.00 C ATOM 0 H THR A 134 -15.046 -3.924 4.741 1.00 0.00 H new ATOM 0 HA THR A 134 -17.318 -2.945 5.959 1.00 0.00 H new ATOM 0 HB THR A 134 -15.023 -1.438 4.645 1.00 0.00 H new ATOM 0 HG1 THR A 134 -14.038 -2.488 6.251 1.00 0.00 H new ATOM 0 HG21 THR A 134 -15.596 0.402 6.185 1.00 0.00 H new ATOM 0 HG22 THR A 134 -16.927 0.049 5.057 1.00 0.00 H new ATOM 0 HG23 THR A 134 -17.016 -0.514 6.743 1.00 0.00 H new ATOM 2108 N PHE A 135 -17.011 -1.891 2.825 1.00 0.00 N ATOM 2109 CA PHE A 135 -17.752 -1.345 1.694 1.00 0.00 C ATOM 2110 C PHE A 135 -18.456 -2.454 0.918 1.00 0.00 C ATOM 2111 O PHE A 135 -19.441 -2.211 0.222 1.00 0.00 O ATOM 2112 CB PHE A 135 -16.810 -0.576 0.765 1.00 0.00 C ATOM 2113 CG PHE A 135 -16.258 0.680 1.377 1.00 0.00 C ATOM 2114 CD1 PHE A 135 -15.500 0.626 2.535 1.00 0.00 C ATOM 2115 CD2 PHE A 135 -16.495 1.914 0.793 1.00 0.00 C ATOM 2116 CE1 PHE A 135 -14.991 1.780 3.101 1.00 0.00 C ATOM 2117 CE2 PHE A 135 -15.989 3.071 1.354 1.00 0.00 C ATOM 2118 CZ PHE A 135 -15.234 3.004 2.509 1.00 0.00 C ATOM 0 H PHE A 135 -16.026 -2.075 2.634 1.00 0.00 H new ATOM 0 HA PHE A 135 -18.508 -0.662 2.082 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -15.983 -1.226 0.480 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -17.344 -0.320 -0.150 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -15.304 -0.328 3.001 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -17.082 1.972 -0.112 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -14.404 1.724 4.006 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -16.184 4.027 0.890 1.00 0.00 H new ATOM 0 HZ PHE A 135 -14.835 3.906 2.948 1.00 0.00 H new ATOM 2128 N GLY A 136 -17.943 -3.674 1.044 1.00 0.00 N ATOM 2129 CA GLY A 136 -18.534 -4.803 0.349 1.00 0.00 C ATOM 2130 C GLY A 136 -18.001 -4.959 -1.061 1.00 0.00 C ATOM 2131 O GLY A 136 -18.738 -5.336 -1.973 1.00 0.00 O ATOM 0 H GLY A 136 -17.129 -3.901 1.615 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -18.337 -5.716 0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -19.616 -4.678 0.313 1.00 0.00 H new ATOM 2135 N TYR A 137 -16.718 -4.668 -1.243 1.00 0.00 N ATOM 2136 CA TYR A 137 -16.088 -4.774 -2.553 1.00 0.00 C ATOM 2137 C TYR A 137 -15.309 -6.080 -2.679 1.00 0.00 C ATOM 2138 O TYR A 137 -14.332 -6.165 -3.423 1.00 0.00 O ATOM 2139 CB TYR A 137 -15.155 -3.586 -2.792 1.00 0.00 C ATOM 2140 CG TYR A 137 -15.845 -2.244 -2.690 1.00 0.00 C ATOM 2141 CD1 TYR A 137 -17.229 -2.147 -2.751 1.00 0.00 C ATOM 2142 CD2 TYR A 137 -15.112 -1.074 -2.534 1.00 0.00 C ATOM 2143 CE1 TYR A 137 -17.864 -0.924 -2.659 1.00 0.00 C ATOM 2144 CE2 TYR A 137 -15.739 0.153 -2.439 1.00 0.00 C ATOM 2145 CZ TYR A 137 -17.115 0.224 -2.502 1.00 0.00 C ATOM 2146 OH TYR A 137 -17.742 1.445 -2.410 1.00 0.00 O ATOM 0 H TYR A 137 -16.094 -4.357 -0.499 1.00 0.00 H new ATOM 0 HA TYR A 137 -16.875 -4.767 -3.307 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -14.341 -3.623 -2.068 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -14.706 -3.680 -3.781 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -17.819 -3.043 -2.872 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -14.034 -1.125 -2.486 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -18.941 -0.867 -2.710 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -15.154 1.053 -2.316 1.00 0.00 H new ATOM 0 HH TYR A 137 -18.344 1.446 -1.637 1.00 0.00 H new ATOM 2156 N GLY A 138 -15.749 -7.097 -1.945 1.00 0.00 N ATOM 2157 CA GLY A 138 -15.083 -8.386 -1.988 1.00 0.00 C ATOM 2158 C GLY A 138 -15.887 -9.429 -2.738 1.00 0.00 C ATOM 2159 O GLY A 138 -17.114 -9.357 -2.791 1.00 0.00 O ATOM 0 H GLY A 138 -16.555 -7.052 -1.321 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -14.108 -8.272 -2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -14.903 -8.733 -0.970 1.00 0.00 H new ATOM 2163 N ALA A 139 -15.194 -10.401 -3.321 1.00 0.00 N ATOM 2164 CA ALA A 139 -15.851 -11.464 -4.072 1.00 0.00 C ATOM 2165 C ALA A 139 -16.134 -12.670 -3.183 1.00 0.00 C ATOM 2166 O ALA A 139 -15.226 -13.222 -2.562 1.00 0.00 O ATOM 2167 CB ALA A 139 -14.998 -11.873 -5.264 1.00 0.00 C ATOM 0 H ALA A 139 -14.177 -10.475 -3.288 1.00 0.00 H new ATOM 0 HA ALA A 139 -16.805 -11.082 -4.436 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -15.501 -12.667 -5.816 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -14.851 -11.014 -5.918 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.030 -12.231 -4.913 1.00 0.00 H new