USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 995 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 59 THR OG1 : rot -167:sc= 0.969 USER MOD Set 1.2: A 109 LYS NZ :NH3+ -162:sc= 1.13 (180deg=0) USER MOD Set 2.1: A 17 SER OG : rot 22:sc= 0.873 USER MOD Set 2.2: A 98 MET CE :methyl 180:sc= -0.376 (180deg=0) USER MOD Set 3.1: A 74 MET CE :methyl -116:sc= -0.0567 (180deg=-0.371) USER MOD Set 3.2: A 77 SER OG : rot 44:sc= 0.117 USER MOD Set 4.1: A 9 TYR OH : rot 143:sc= 0.861 USER MOD Set 4.2: A 11 GLN : amide:sc= 1.58 K(o=2.4,f=-1.2) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 89:sc= 1.16 USER MOD Single : A 16 THR OG1 : rot 80:sc=-0.00612 USER MOD Single : A 20 ASN : amide:sc= -1.32 K(o=-1.3,f=-3.5) USER MOD Single : A 26 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.21) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -2.13! C(o=-2.1!,f=-5!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0.497 K(o=0.5,f=-4!) USER MOD Single : A 42 LYS NZ :NH3+ 151:sc= 0.0289 (180deg=-0.204) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 166:sc= -0.414 (180deg=-0.817) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 126:sc= 1.21 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -142:sc= 0.596 (180deg=-0.0918) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -2.13 K(o=-2.1,f=-3.7!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0426) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 162:sc= 0.371 (180deg=0.255) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0.406 X(o=0.41,f=0) USER MOD Single : A 104 ASN : amide:sc= 0.849 K(o=0.85,f=-0.0029) USER MOD Single : A 105 SER OG : rot -91:sc= 0.00432 USER MOD Single : A 107 GLN : amide:sc= 0.553 K(o=0.55,f=-0.36) USER MOD Single : A 112 SER OG : rot 170:sc= -0.228 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -29:sc= 1.24 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 54:sc= 1.33 USER MOD Single : A 121 GLN : amide:sc= -0.457 K(o=-0.46,f=-7.8!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N ALA A 4 -19.222 10.317 0.352 1.00 0.00 N ATOM 34 CA ALA A 4 -19.027 8.878 0.419 1.00 0.00 C ATOM 35 C ALA A 4 -19.306 8.263 -0.950 1.00 0.00 C ATOM 36 O ALA A 4 -20.077 7.300 -1.066 1.00 0.00 O ATOM 37 CB ALA A 4 -19.872 8.266 1.545 1.00 0.00 C ATOM 0 HA ALA A 4 -17.990 8.653 0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -19.710 7.189 1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -19.580 8.705 2.499 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -20.927 8.469 1.360 1.00 0.00 H new ATOM 43 N LEU A 5 -18.670 8.791 -2.002 1.00 0.00 N ATOM 44 CA LEU A 5 -18.576 8.082 -3.259 1.00 0.00 C ATOM 45 C LEU A 5 -17.842 6.761 -3.001 1.00 0.00 C ATOM 46 O LEU A 5 -17.097 6.639 -2.023 1.00 0.00 O ATOM 47 CB LEU A 5 -17.828 8.902 -4.310 1.00 0.00 C ATOM 48 CG LEU A 5 -18.610 10.050 -4.897 1.00 0.00 C ATOM 49 CD1 LEU A 5 -17.953 11.357 -4.521 1.00 0.00 C ATOM 50 CD2 LEU A 5 -18.810 9.962 -6.409 1.00 0.00 C ATOM 0 H LEU A 5 -18.218 9.705 -1.997 1.00 0.00 H new ATOM 0 HA LEU A 5 -19.578 7.899 -3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.916 9.295 -3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -17.524 8.238 -5.119 1.00 0.00 H new ATOM 0 HG LEU A 5 -19.611 9.993 -4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -18.520 12.185 -4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.929 11.453 -3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.935 11.377 -4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -19.381 10.825 -6.751 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -17.839 9.950 -6.904 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -19.353 9.048 -6.652 1.00 0.00 H new ATOM 62 N PRO A 6 -18.033 5.763 -3.864 1.00 0.00 N ATOM 63 CA PRO A 6 -17.259 4.543 -3.827 1.00 0.00 C ATOM 64 C PRO A 6 -15.834 4.816 -4.293 1.00 0.00 C ATOM 65 O PRO A 6 -15.556 5.819 -4.951 1.00 0.00 O ATOM 66 CB PRO A 6 -17.951 3.580 -4.786 1.00 0.00 C ATOM 67 CG PRO A 6 -18.926 4.434 -5.596 1.00 0.00 C ATOM 68 CD PRO A 6 -18.734 5.868 -5.117 1.00 0.00 C ATOM 0 HA PRO A 6 -17.202 4.132 -2.819 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -17.228 3.088 -5.436 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -18.476 2.795 -4.242 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -18.723 4.350 -6.664 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -19.954 4.106 -5.440 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -18.162 6.450 -5.839 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -19.692 6.371 -4.990 1.00 0.00 H new ATOM 76 N LEU A 7 -14.959 3.872 -3.978 1.00 0.00 N ATOM 77 CA LEU A 7 -13.542 3.848 -4.292 1.00 0.00 C ATOM 78 C LEU A 7 -13.276 4.054 -5.788 1.00 0.00 C ATOM 79 O LEU A 7 -13.377 3.113 -6.580 1.00 0.00 O ATOM 80 CB LEU A 7 -12.997 2.516 -3.797 1.00 0.00 C ATOM 81 CG LEU A 7 -11.502 2.306 -4.047 1.00 0.00 C ATOM 82 CD1 LEU A 7 -10.664 3.084 -3.036 1.00 0.00 C ATOM 83 CD2 LEU A 7 -11.243 0.814 -3.883 1.00 0.00 C ATOM 0 H LEU A 7 -15.245 3.042 -3.458 1.00 0.00 H new ATOM 0 HA LEU A 7 -13.034 4.675 -3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.188 2.436 -2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.549 1.710 -4.281 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.227 2.660 -5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.606 2.917 -3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.886 4.148 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.901 2.743 -2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.186 0.608 -4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.517 0.506 -2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.841 0.259 -4.606 1.00 0.00 H new ATOM 95 N TYR A 8 -12.909 5.277 -6.160 1.00 0.00 N ATOM 96 CA TYR A 8 -12.653 5.677 -7.532 1.00 0.00 C ATOM 97 C TYR A 8 -11.161 5.658 -7.883 1.00 0.00 C ATOM 98 O TYR A 8 -10.826 5.857 -9.050 1.00 0.00 O ATOM 99 CB TYR A 8 -13.307 7.041 -7.802 1.00 0.00 C ATOM 100 CG TYR A 8 -12.901 8.181 -6.883 1.00 0.00 C ATOM 101 CD1 TYR A 8 -11.746 8.932 -7.162 1.00 0.00 C ATOM 102 CD2 TYR A 8 -13.713 8.536 -5.788 1.00 0.00 C ATOM 103 CE1 TYR A 8 -11.409 10.039 -6.360 1.00 0.00 C ATOM 104 CE2 TYR A 8 -13.390 9.645 -4.985 1.00 0.00 C ATOM 105 CZ TYR A 8 -12.234 10.408 -5.275 1.00 0.00 C ATOM 106 OH TYR A 8 -11.918 11.499 -4.528 1.00 0.00 O ATOM 0 H TYR A 8 -12.779 6.037 -5.492 1.00 0.00 H new ATOM 0 HA TYR A 8 -13.109 4.941 -8.195 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -13.079 7.332 -8.827 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.388 6.920 -7.738 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -11.115 8.659 -7.995 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.592 7.951 -5.563 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.517 10.608 -6.575 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -14.022 9.913 -4.151 1.00 0.00 H new ATOM 0 HH TYR A 8 -12.587 11.617 -3.822 1.00 0.00 H new ATOM 116 N TYR A 9 -10.263 5.410 -6.923 1.00 0.00 N ATOM 117 CA TYR A 9 -8.821 5.381 -7.154 1.00 0.00 C ATOM 118 C TYR A 9 -8.135 4.566 -6.074 1.00 0.00 C ATOM 119 O TYR A 9 -8.546 4.601 -4.908 1.00 0.00 O ATOM 120 CB TYR A 9 -8.311 6.815 -7.108 1.00 0.00 C ATOM 121 CG TYR A 9 -6.815 7.025 -7.248 1.00 0.00 C ATOM 122 CD1 TYR A 9 -5.966 6.984 -6.124 1.00 0.00 C ATOM 123 CD2 TYR A 9 -6.286 7.339 -8.507 1.00 0.00 C ATOM 124 CE1 TYR A 9 -4.612 7.334 -6.251 1.00 0.00 C ATOM 125 CE2 TYR A 9 -4.928 7.652 -8.655 1.00 0.00 C ATOM 126 CZ TYR A 9 -4.090 7.682 -7.521 1.00 0.00 C ATOM 127 OH TYR A 9 -2.784 8.047 -7.658 1.00 0.00 O ATOM 0 H TYR A 9 -10.523 5.222 -5.955 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.606 4.925 -8.121 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -8.806 7.375 -7.901 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.627 7.255 -6.162 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.357 6.683 -5.163 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.932 7.340 -9.373 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.970 7.338 -5.382 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -4.525 7.869 -9.633 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.434 7.697 -8.504 1.00 0.00 H new ATOM 137 N LEU A 10 -7.055 3.883 -6.455 1.00 0.00 N ATOM 138 CA LEU A 10 -6.278 2.996 -5.631 1.00 0.00 C ATOM 139 C LEU A 10 -4.852 3.150 -6.145 1.00 0.00 C ATOM 140 O LEU A 10 -4.623 3.024 -7.350 1.00 0.00 O ATOM 141 CB LEU A 10 -6.817 1.598 -5.935 1.00 0.00 C ATOM 142 CG LEU A 10 -6.316 0.403 -5.132 1.00 0.00 C ATOM 143 CD1 LEU A 10 -4.872 0.495 -4.702 1.00 0.00 C ATOM 144 CD2 LEU A 10 -7.106 0.194 -3.839 1.00 0.00 C ATOM 0 H LEU A 10 -6.689 3.947 -7.405 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.320 3.186 -4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.900 1.635 -5.821 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.614 1.392 -6.986 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.446 -0.421 -5.834 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.603 -0.398 -4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.234 0.573 -5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.734 1.376 -4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.709 -0.669 -3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.018 1.081 -3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.155 0.022 -4.078 1.00 0.00 H new ATOM 156 N GLN A 11 -3.893 3.385 -5.257 1.00 0.00 N ATOM 157 CA GLN A 11 -2.481 3.464 -5.633 1.00 0.00 C ATOM 158 C GLN A 11 -1.592 3.241 -4.407 1.00 0.00 C ATOM 159 O GLN A 11 -1.886 3.772 -3.329 1.00 0.00 O ATOM 160 CB GLN A 11 -2.223 4.850 -6.267 1.00 0.00 C ATOM 161 CG GLN A 11 -1.351 4.838 -7.531 1.00 0.00 C ATOM 162 CD GLN A 11 -2.096 5.278 -8.792 1.00 0.00 C ATOM 163 OE1 GLN A 11 -1.730 6.271 -9.424 1.00 0.00 O ATOM 164 NE2 GLN A 11 -3.173 4.603 -9.159 1.00 0.00 N ATOM 0 H GLN A 11 -4.067 3.526 -4.262 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.238 2.686 -6.356 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.183 5.304 -6.511 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.748 5.489 -5.523 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.494 5.494 -7.378 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.959 3.832 -7.683 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.466 3.783 -8.628 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.710 4.903 -9.973 1.00 0.00 H new ATOM 173 N ILE A 12 -0.497 2.488 -4.559 1.00 0.00 N ATOM 174 CA ILE A 12 0.425 2.148 -3.459 1.00 0.00 C ATOM 175 C ILE A 12 0.935 3.398 -2.740 1.00 0.00 C ATOM 176 O ILE A 12 0.956 3.395 -1.519 1.00 0.00 O ATOM 177 CB ILE A 12 1.589 1.253 -3.943 1.00 0.00 C ATOM 178 CG1 ILE A 12 1.104 0.009 -4.720 1.00 0.00 C ATOM 179 CG2 ILE A 12 2.521 0.819 -2.782 1.00 0.00 C ATOM 180 CD1 ILE A 12 0.470 -1.086 -3.863 1.00 0.00 C ATOM 0 H ILE A 12 -0.219 2.091 -5.457 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.145 1.569 -2.732 1.00 0.00 H new ATOM 0 HB ILE A 12 2.162 1.876 -4.630 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.379 0.328 -5.469 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.951 -0.417 -5.258 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.322 0.192 -3.174 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.950 1.703 -2.310 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.947 0.256 -2.046 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.163 -1.915 -4.501 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.195 -1.441 -3.131 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.401 -0.684 -3.345 1.00 0.00 H new ATOM 192 N THR A 13 1.262 4.469 -3.466 1.00 0.00 N ATOM 193 CA THR A 13 1.543 5.809 -2.947 1.00 0.00 C ATOM 194 C THR A 13 2.807 5.937 -2.069 1.00 0.00 C ATOM 195 O THR A 13 3.684 6.722 -2.448 1.00 0.00 O ATOM 196 CB THR A 13 0.257 6.410 -2.354 1.00 0.00 C ATOM 197 OG1 THR A 13 -0.774 6.301 -3.324 1.00 0.00 O ATOM 198 CG2 THR A 13 0.391 7.894 -2.025 1.00 0.00 C ATOM 0 H THR A 13 1.342 4.423 -4.482 1.00 0.00 H new ATOM 0 HA THR A 13 1.838 6.431 -3.792 1.00 0.00 H new ATOM 0 HB THR A 13 0.044 5.865 -1.434 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.233 5.441 -3.219 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.548 8.261 -1.610 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.189 8.034 -1.296 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.628 8.448 -2.933 1.00 0.00 H new ATOM 206 N GLY A 14 2.979 5.232 -0.947 1.00 0.00 N ATOM 207 CA GLY A 14 4.255 5.187 -0.228 1.00 0.00 C ATOM 208 C GLY A 14 4.540 3.770 0.266 1.00 0.00 C ATOM 209 O GLY A 14 3.611 2.975 0.439 1.00 0.00 O ATOM 0 H GLY A 14 2.240 4.678 -0.513 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.060 5.519 -0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.228 5.875 0.617 1.00 0.00 H new ATOM 213 N ILE A 15 5.815 3.445 0.497 1.00 0.00 N ATOM 214 CA ILE A 15 6.248 2.111 0.918 1.00 0.00 C ATOM 215 C ILE A 15 7.495 2.257 1.778 1.00 0.00 C ATOM 216 O ILE A 15 8.349 3.098 1.493 1.00 0.00 O ATOM 217 CB ILE A 15 6.504 1.189 -0.302 1.00 0.00 C ATOM 218 CG1 ILE A 15 6.612 -0.297 0.106 1.00 0.00 C ATOM 219 CG2 ILE A 15 7.749 1.611 -1.107 1.00 0.00 C ATOM 220 CD1 ILE A 15 6.801 -1.234 -1.100 1.00 0.00 C ATOM 0 H ILE A 15 6.583 4.108 0.396 1.00 0.00 H new ATOM 0 HA ILE A 15 5.458 1.638 1.502 1.00 0.00 H new ATOM 0 HB ILE A 15 5.634 1.303 -0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.450 -0.421 0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.712 -0.587 0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.884 0.934 -1.950 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.616 2.628 -1.476 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.629 1.570 -0.465 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.871 -2.265 -0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.950 -1.135 -1.774 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.716 -0.967 -1.629 1.00 0.00 H new ATOM 232 N THR A 16 7.629 1.404 2.785 1.00 0.00 N ATOM 233 CA THR A 16 8.879 1.244 3.496 1.00 0.00 C ATOM 234 C THR A 16 8.935 -0.144 4.136 1.00 0.00 C ATOM 235 O THR A 16 8.008 -0.953 4.001 1.00 0.00 O ATOM 236 CB THR A 16 9.076 2.420 4.473 1.00 0.00 C ATOM 237 OG1 THR A 16 10.393 2.405 4.973 1.00 0.00 O ATOM 238 CG2 THR A 16 8.074 2.439 5.636 1.00 0.00 C ATOM 0 H THR A 16 6.875 0.808 3.127 1.00 0.00 H new ATOM 0 HA THR A 16 9.729 1.285 2.815 1.00 0.00 H new ATOM 0 HB THR A 16 8.892 3.329 3.901 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.999 2.798 4.311 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.278 3.296 6.278 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.061 2.514 5.242 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.171 1.520 6.215 1.00 0.00 H new ATOM 246 N SER A 17 10.029 -0.421 4.840 1.00 0.00 N ATOM 247 CA SER A 17 10.200 -1.594 5.659 1.00 0.00 C ATOM 248 C SER A 17 10.910 -1.191 6.961 1.00 0.00 C ATOM 249 O SER A 17 11.433 -0.081 7.086 1.00 0.00 O ATOM 250 CB SER A 17 10.946 -2.663 4.845 1.00 0.00 C ATOM 251 OG SER A 17 10.799 -3.904 5.498 1.00 0.00 O ATOM 0 H SER A 17 10.843 0.193 4.849 1.00 0.00 H new ATOM 0 HA SER A 17 9.245 -2.033 5.948 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.545 -2.717 3.833 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.001 -2.404 4.756 1.00 0.00 H new ATOM 0 HG SER A 17 10.013 -3.875 6.083 1.00 0.00 H new ATOM 257 N ASP A 18 10.905 -2.091 7.941 1.00 0.00 N ATOM 258 CA ASP A 18 11.490 -1.913 9.268 1.00 0.00 C ATOM 259 C ASP A 18 13.009 -1.740 9.173 1.00 0.00 C ATOM 260 O ASP A 18 13.566 -0.814 9.765 1.00 0.00 O ATOM 261 CB ASP A 18 11.118 -3.136 10.111 1.00 0.00 C ATOM 262 CG ASP A 18 11.865 -3.220 11.444 1.00 0.00 C ATOM 263 OD1 ASP A 18 13.093 -3.450 11.436 1.00 0.00 O ATOM 264 OD2 ASP A 18 11.177 -3.260 12.491 1.00 0.00 O ATOM 0 H ASP A 18 10.473 -3.008 7.826 1.00 0.00 H new ATOM 0 HA ASP A 18 11.100 -1.010 9.737 1.00 0.00 H new ATOM 0 HB2 ASP A 18 10.046 -3.118 10.307 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.321 -4.038 9.534 1.00 0.00 H new ATOM 269 N GLY A 19 13.696 -2.568 8.376 1.00 0.00 N ATOM 270 CA GLY A 19 15.126 -2.407 8.132 1.00 0.00 C ATOM 271 C GLY A 19 15.451 -1.142 7.335 1.00 0.00 C ATOM 272 O GLY A 19 16.622 -0.787 7.214 1.00 0.00 O ATOM 0 H GLY A 19 13.277 -3.360 7.888 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.652 -2.375 9.086 1.00 0.00 H new ATOM 0 HA3 GLY A 19 15.498 -3.277 7.592 1.00 0.00 H new ATOM 276 N ASN A 20 14.442 -0.434 6.817 1.00 0.00 N ATOM 277 CA ASN A 20 14.605 0.755 5.987 1.00 0.00 C ATOM 278 C ASN A 20 14.457 2.054 6.759 1.00 0.00 C ATOM 279 O ASN A 20 14.331 3.115 6.146 1.00 0.00 O ATOM 280 CB ASN A 20 13.680 0.698 4.759 1.00 0.00 C ATOM 281 CG ASN A 20 14.506 0.372 3.532 1.00 0.00 C ATOM 282 OD1 ASN A 20 15.403 -0.463 3.596 1.00 0.00 O ATOM 283 ND2 ASN A 20 14.224 0.996 2.409 1.00 0.00 N ATOM 0 H ASN A 20 13.465 -0.682 6.970 1.00 0.00 H new ATOM 0 HA ASN A 20 15.636 0.750 5.632 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.908 -0.058 4.904 1.00 0.00 H new ATOM 0 HB3 ASN A 20 13.171 1.653 4.627 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.756 0.790 1.564 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.473 1.686 2.384 1.00 0.00 H new ATOM 290 N ASP A 21 14.491 2.003 8.089 1.00 0.00 N ATOM 291 CA ASP A 21 14.371 3.183 8.943 1.00 0.00 C ATOM 292 C ASP A 21 13.017 3.871 8.762 1.00 0.00 C ATOM 293 O ASP A 21 12.881 5.079 8.978 1.00 0.00 O ATOM 294 CB ASP A 21 15.548 4.143 8.705 1.00 0.00 C ATOM 295 CG ASP A 21 15.832 4.993 9.938 1.00 0.00 C ATOM 296 OD1 ASP A 21 15.872 4.434 11.063 1.00 0.00 O ATOM 297 OD2 ASP A 21 16.026 6.222 9.782 1.00 0.00 O ATOM 0 H ASP A 21 14.604 1.133 8.609 1.00 0.00 H new ATOM 0 HA ASP A 21 14.417 2.859 9.983 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.438 3.571 8.443 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.325 4.792 7.858 1.00 0.00 H new ATOM 302 N PHE A 22 12.017 3.095 8.325 1.00 0.00 N ATOM 303 CA PHE A 22 10.657 3.537 8.055 1.00 0.00 C ATOM 304 C PHE A 22 10.620 4.710 7.046 1.00 0.00 C ATOM 305 O PHE A 22 9.668 5.496 7.052 1.00 0.00 O ATOM 306 CB PHE A 22 9.920 3.775 9.393 1.00 0.00 C ATOM 307 CG PHE A 22 9.834 2.549 10.308 1.00 0.00 C ATOM 308 CD1 PHE A 22 10.955 2.113 11.045 1.00 0.00 C ATOM 309 CD2 PHE A 22 8.625 1.833 10.429 1.00 0.00 C ATOM 310 CE1 PHE A 22 10.884 0.955 11.844 1.00 0.00 C ATOM 311 CE2 PHE A 22 8.538 0.704 11.263 1.00 0.00 C ATOM 312 CZ PHE A 22 9.676 0.246 11.951 1.00 0.00 C ATOM 0 H PHE A 22 12.147 2.100 8.144 1.00 0.00 H new ATOM 0 HA PHE A 22 10.099 2.754 7.541 1.00 0.00 H new ATOM 0 HB2 PHE A 22 10.424 4.578 9.931 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.909 4.122 9.178 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.877 2.673 10.996 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.756 2.155 9.875 1.00 0.00 H new ATOM 0 HE1 PHE A 22 11.760 0.612 12.375 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.596 0.188 11.375 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.621 -0.646 12.558 1.00 0.00 H new ATOM 322 N ALA A 23 11.646 4.837 6.187 1.00 0.00 N ATOM 323 CA ALA A 23 11.742 5.775 5.066 1.00 0.00 C ATOM 324 C ALA A 23 10.606 5.587 4.042 1.00 0.00 C ATOM 325 O ALA A 23 10.756 4.807 3.103 1.00 0.00 O ATOM 326 CB ALA A 23 13.124 5.635 4.409 1.00 0.00 C ATOM 0 H ALA A 23 12.477 4.251 6.265 1.00 0.00 H new ATOM 0 HA ALA A 23 11.627 6.787 5.454 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.202 6.331 3.574 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.899 5.859 5.141 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.252 4.616 4.045 1.00 0.00 H new ATOM 332 N TRP A 24 9.472 6.272 4.214 1.00 0.00 N ATOM 333 CA TRP A 24 8.209 6.075 3.484 1.00 0.00 C ATOM 334 C TRP A 24 8.243 6.280 1.975 1.00 0.00 C ATOM 335 O TRP A 24 7.322 5.814 1.291 1.00 0.00 O ATOM 336 CB TRP A 24 7.139 6.989 4.100 1.00 0.00 C ATOM 337 CG TRP A 24 6.363 6.308 5.169 1.00 0.00 C ATOM 338 CD1 TRP A 24 6.383 6.574 6.491 1.00 0.00 C ATOM 339 CD2 TRP A 24 5.524 5.139 5.001 1.00 0.00 C ATOM 340 NE1 TRP A 24 5.568 5.668 7.142 1.00 0.00 N ATOM 341 CE2 TRP A 24 5.045 4.733 6.274 1.00 0.00 C ATOM 342 CE3 TRP A 24 5.179 4.352 3.888 1.00 0.00 C ATOM 343 CZ2 TRP A 24 4.257 3.583 6.435 1.00 0.00 C ATOM 344 CZ3 TRP A 24 4.382 3.212 4.034 1.00 0.00 C ATOM 345 CH2 TRP A 24 3.914 2.831 5.301 1.00 0.00 C ATOM 0 H TRP A 24 9.403 7.021 4.903 1.00 0.00 H new ATOM 0 HA TRP A 24 7.983 5.015 3.599 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.617 7.878 4.511 1.00 0.00 H new ATOM 0 HB3 TRP A 24 6.458 7.326 3.318 1.00 0.00 H new ATOM 0 HD1 TRP A 24 6.945 7.366 6.964 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.376 5.688 8.144 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.534 4.632 2.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.920 3.282 7.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 4.125 2.622 3.167 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.288 1.957 5.404 1.00 0.00 H new ATOM 356 N ASP A 25 9.274 6.947 1.465 1.00 0.00 N ATOM 357 CA ASP A 25 9.436 7.310 0.058 1.00 0.00 C ATOM 358 C ASP A 25 8.210 8.046 -0.499 1.00 0.00 C ATOM 359 O ASP A 25 7.278 8.376 0.239 1.00 0.00 O ATOM 360 CB ASP A 25 9.775 6.052 -0.759 1.00 0.00 C ATOM 361 CG ASP A 25 11.058 6.260 -1.543 1.00 0.00 C ATOM 362 OD1 ASP A 25 11.043 7.024 -2.531 1.00 0.00 O ATOM 363 OD2 ASP A 25 12.084 5.639 -1.180 1.00 0.00 O ATOM 0 H ASP A 25 10.052 7.263 2.043 1.00 0.00 H new ATOM 0 HA ASP A 25 10.264 8.015 -0.024 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.883 5.196 -0.093 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.957 5.823 -1.442 1.00 0.00 H new ATOM 368 N ASN A 26 8.176 8.325 -1.803 1.00 0.00 N ATOM 369 CA ASN A 26 6.968 8.775 -2.492 1.00 0.00 C ATOM 370 C ASN A 26 6.950 8.157 -3.879 1.00 0.00 C ATOM 371 O ASN A 26 7.790 8.468 -4.723 1.00 0.00 O ATOM 372 CB ASN A 26 6.918 10.306 -2.617 1.00 0.00 C ATOM 373 CG ASN A 26 7.106 10.993 -1.281 1.00 0.00 C ATOM 374 OD1 ASN A 26 8.197 11.455 -0.961 1.00 0.00 O ATOM 375 ND2 ASN A 26 6.095 10.994 -0.430 1.00 0.00 N ATOM 0 H ASN A 26 8.990 8.244 -2.413 1.00 0.00 H new ATOM 0 HA ASN A 26 6.100 8.463 -1.911 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.693 10.638 -3.307 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.961 10.603 -3.045 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.216 11.382 0.506 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.193 10.607 -0.709 1.00 0.00 H new ATOM 382 N LEU A 27 6.038 7.223 -4.109 1.00 0.00 N ATOM 383 CA LEU A 27 6.015 6.413 -5.317 1.00 0.00 C ATOM 384 C LEU A 27 5.461 7.222 -6.475 1.00 0.00 C ATOM 385 O LEU A 27 4.494 7.970 -6.310 1.00 0.00 O ATOM 386 CB LEU A 27 5.212 5.141 -5.053 1.00 0.00 C ATOM 387 CG LEU A 27 5.723 4.355 -3.827 1.00 0.00 C ATOM 388 CD1 LEU A 27 4.905 3.084 -3.628 1.00 0.00 C ATOM 389 CD2 LEU A 27 7.214 4.005 -3.854 1.00 0.00 C ATOM 0 H LEU A 27 5.286 7.005 -3.455 1.00 0.00 H new ATOM 0 HA LEU A 27 7.026 6.116 -5.595 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.165 5.403 -4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.255 4.500 -5.934 1.00 0.00 H new ATOM 0 HG LEU A 27 5.593 5.037 -2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.279 2.543 -2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.859 3.346 -3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.991 2.454 -4.513 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.475 3.454 -2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.428 3.390 -4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.802 4.921 -3.903 1.00 0.00 H new ATOM 401 N THR A 28 6.083 7.079 -7.642 1.00 0.00 N ATOM 402 CA THR A 28 5.662 7.743 -8.861 1.00 0.00 C ATOM 403 C THR A 28 4.292 7.211 -9.314 1.00 0.00 C ATOM 404 O THR A 28 3.815 6.178 -8.828 1.00 0.00 O ATOM 405 CB THR A 28 6.765 7.595 -9.936 1.00 0.00 C ATOM 406 OG1 THR A 28 7.494 6.380 -9.876 1.00 0.00 O ATOM 407 CG2 THR A 28 7.810 8.704 -9.786 1.00 0.00 C ATOM 0 H THR A 28 6.906 6.488 -7.764 1.00 0.00 H new ATOM 0 HA THR A 28 5.529 8.810 -8.684 1.00 0.00 H new ATOM 0 HB THR A 28 6.219 7.637 -10.879 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.167 6.367 -10.588 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.579 8.585 -10.550 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.329 9.675 -9.903 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.267 8.642 -8.798 1.00 0.00 H new ATOM 415 N SER A 29 3.666 7.908 -10.262 1.00 0.00 N ATOM 416 CA SER A 29 2.376 7.540 -10.825 1.00 0.00 C ATOM 417 C SER A 29 2.500 6.226 -11.584 1.00 0.00 C ATOM 418 O SER A 29 2.061 5.184 -11.098 1.00 0.00 O ATOM 419 CB SER A 29 1.875 8.681 -11.716 1.00 0.00 C ATOM 420 OG SER A 29 1.900 9.894 -10.991 1.00 0.00 O ATOM 0 H SER A 29 4.053 8.761 -10.665 1.00 0.00 H new ATOM 0 HA SER A 29 1.643 7.386 -10.033 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.501 8.764 -12.605 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.862 8.471 -12.058 1.00 0.00 H new ATOM 0 HG SER A 29 1.581 10.623 -11.563 1.00 0.00 H new ATOM 426 N SER A 30 3.173 6.238 -12.735 1.00 0.00 N ATOM 427 CA SER A 30 3.382 5.052 -13.548 1.00 0.00 C ATOM 428 C SER A 30 4.469 4.132 -12.980 1.00 0.00 C ATOM 429 O SER A 30 5.061 3.373 -13.752 1.00 0.00 O ATOM 430 CB SER A 30 3.725 5.485 -14.974 1.00 0.00 C ATOM 431 OG SER A 30 2.626 6.110 -15.612 1.00 0.00 O ATOM 0 H SER A 30 3.590 7.082 -13.128 1.00 0.00 H new ATOM 0 HA SER A 30 2.461 4.469 -13.545 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.571 6.172 -14.952 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.035 4.615 -15.553 1.00 0.00 H new ATOM 0 HG SER A 30 2.882 6.375 -16.520 1.00 0.00 H new ATOM 437 N GLN A 31 4.781 4.196 -11.680 1.00 0.00 N ATOM 438 CA GLN A 31 5.770 3.313 -11.085 1.00 0.00 C ATOM 439 C GLN A 31 5.377 1.855 -11.330 1.00 0.00 C ATOM 440 O GLN A 31 4.193 1.512 -11.277 1.00 0.00 O ATOM 441 CB GLN A 31 5.913 3.633 -9.589 1.00 0.00 C ATOM 442 CG GLN A 31 7.252 3.170 -9.043 1.00 0.00 C ATOM 443 CD GLN A 31 7.322 3.304 -7.533 1.00 0.00 C ATOM 444 OE1 GLN A 31 6.583 2.632 -6.822 1.00 0.00 O ATOM 445 NE2 GLN A 31 8.176 4.172 -7.011 1.00 0.00 N ATOM 0 H GLN A 31 4.358 4.854 -11.026 1.00 0.00 H new ATOM 0 HA GLN A 31 6.743 3.471 -11.551 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.808 4.707 -9.435 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.107 3.151 -9.035 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.419 2.130 -9.324 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.052 3.755 -9.497 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.782 4.721 -7.621 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.228 4.291 -5.999 1.00 0.00 H new ATOM 454 N THR A 32 6.383 1.017 -11.575 1.00 0.00 N ATOM 455 CA THR A 32 6.275 -0.433 -11.733 1.00 0.00 C ATOM 456 C THR A 32 7.309 -1.174 -10.871 1.00 0.00 C ATOM 457 O THR A 32 7.283 -2.398 -10.786 1.00 0.00 O ATOM 458 CB THR A 32 6.389 -0.800 -13.222 1.00 0.00 C ATOM 459 OG1 THR A 32 7.643 -0.447 -13.775 1.00 0.00 O ATOM 460 CG2 THR A 32 5.304 -0.097 -14.038 1.00 0.00 C ATOM 0 H THR A 32 7.343 1.347 -11.674 1.00 0.00 H new ATOM 0 HA THR A 32 5.297 -0.755 -11.376 1.00 0.00 H new ATOM 0 HB THR A 32 6.272 -1.883 -13.272 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.667 -0.702 -14.721 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.404 -0.371 -15.088 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.322 -0.401 -13.675 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.412 0.983 -13.933 1.00 0.00 H new ATOM 468 N LYS A 33 8.217 -0.447 -10.207 1.00 0.00 N ATOM 469 CA LYS A 33 9.300 -1.003 -9.409 1.00 0.00 C ATOM 470 C LYS A 33 9.609 -0.068 -8.255 1.00 0.00 C ATOM 471 O LYS A 33 9.534 1.152 -8.430 1.00 0.00 O ATOM 472 CB LYS A 33 10.533 -1.200 -10.303 1.00 0.00 C ATOM 473 CG LYS A 33 10.928 -2.675 -10.325 1.00 0.00 C ATOM 474 CD LYS A 33 11.904 -2.977 -11.468 1.00 0.00 C ATOM 475 CE LYS A 33 13.205 -2.164 -11.354 1.00 0.00 C ATOM 476 NZ LYS A 33 14.193 -2.573 -12.372 1.00 0.00 N ATOM 0 H LYS A 33 8.212 0.573 -10.215 1.00 0.00 H new ATOM 0 HA LYS A 33 9.008 -1.970 -8.998 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.318 -0.857 -11.315 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.362 -0.598 -9.932 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.386 -2.945 -9.373 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.035 -3.290 -10.435 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.142 -4.041 -11.469 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.423 -2.757 -12.421 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.983 -1.103 -11.468 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.631 -2.296 -10.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.057 -2.004 -12.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.423 -3.579 -12.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.795 -2.424 -13.321 1.00 0.00 H new ATOM 490 N ALA A 34 9.937 -0.636 -7.101 1.00 0.00 N ATOM 491 CA ALA A 34 10.190 0.092 -5.875 1.00 0.00 C ATOM 492 C ALA A 34 11.380 1.040 -6.061 1.00 0.00 C ATOM 493 O ALA A 34 12.237 0.800 -6.915 1.00 0.00 O ATOM 494 CB ALA A 34 10.453 -0.900 -4.737 1.00 0.00 C ATOM 0 H ALA A 34 10.036 -1.646 -6.995 1.00 0.00 H new ATOM 0 HA ALA A 34 9.317 0.692 -5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.644 -0.353 -3.814 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.582 -1.542 -4.605 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.321 -1.512 -4.981 1.00 0.00 H new ATOM 500 N PRO A 35 11.435 2.127 -5.282 1.00 0.00 N ATOM 501 CA PRO A 35 12.496 3.122 -5.379 1.00 0.00 C ATOM 502 C PRO A 35 13.803 2.625 -4.760 1.00 0.00 C ATOM 503 O PRO A 35 14.854 3.141 -5.124 1.00 0.00 O ATOM 504 CB PRO A 35 11.969 4.339 -4.607 1.00 0.00 C ATOM 505 CG PRO A 35 11.064 3.691 -3.558 1.00 0.00 C ATOM 506 CD PRO A 35 10.429 2.547 -4.326 1.00 0.00 C ATOM 0 HA PRO A 35 12.727 3.351 -6.419 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.776 4.912 -4.150 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.418 5.023 -5.253 1.00 0.00 H new ATOM 0 HG2 PRO A 35 11.631 3.336 -2.698 1.00 0.00 H new ATOM 0 HG3 PRO A 35 10.317 4.389 -3.181 1.00 0.00 H new ATOM 0 HD2 PRO A 35 10.154 1.730 -3.659 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.517 2.869 -4.829 1.00 0.00 H new ATOM 514 N ASN A 36 13.763 1.675 -3.816 1.00 0.00 N ATOM 515 CA ASN A 36 14.927 1.158 -3.132 1.00 0.00 C ATOM 516 C ASN A 36 14.620 -0.293 -2.837 1.00 0.00 C ATOM 517 O ASN A 36 13.446 -0.668 -2.760 1.00 0.00 O ATOM 518 CB ASN A 36 15.123 1.904 -1.805 1.00 0.00 C ATOM 519 CG ASN A 36 15.777 3.253 -2.014 1.00 0.00 C ATOM 520 OD1 ASN A 36 16.959 3.316 -2.310 1.00 0.00 O ATOM 521 ND2 ASN A 36 15.074 4.355 -1.793 1.00 0.00 N ATOM 0 H ASN A 36 12.892 1.242 -3.509 1.00 0.00 H new ATOM 0 HA ASN A 36 15.829 1.277 -3.733 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.158 2.039 -1.317 1.00 0.00 H new ATOM 0 HB3 ASN A 36 15.737 1.301 -1.136 1.00 0.00 H new ATOM 0 HD21 ASN A 36 15.521 5.269 -1.870 1.00 0.00 H new ATOM 0 HD22 ASN A 36 14.086 4.289 -1.546 1.00 0.00 H new ATOM 528 N VAL A 37 15.650 -1.091 -2.598 1.00 0.00 N ATOM 529 CA VAL A 37 15.541 -2.287 -1.792 1.00 0.00 C ATOM 530 C VAL A 37 15.366 -1.874 -0.344 1.00 0.00 C ATOM 531 O VAL A 37 16.093 -1.073 0.251 1.00 0.00 O ATOM 532 CB VAL A 37 16.840 -3.133 -1.917 1.00 0.00 C ATOM 533 CG1 VAL A 37 16.697 -4.480 -1.197 1.00 0.00 C ATOM 534 CG2 VAL A 37 17.307 -3.314 -3.374 1.00 0.00 C ATOM 0 H VAL A 37 16.588 -0.922 -2.962 1.00 0.00 H new ATOM 0 HA VAL A 37 14.692 -2.880 -2.131 1.00 0.00 H new ATOM 0 HB VAL A 37 17.626 -2.565 -1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.621 -5.049 -1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 37 16.495 -4.308 -0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 37 15.873 -5.042 -1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 37 18.217 -3.913 -3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 37 16.528 -3.819 -3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 37 17.506 -2.338 -3.816 1.00 0.00 H new ATOM 544 N LEU A 38 14.288 -2.438 0.147 1.00 0.00 N ATOM 545 CA LEU A 38 13.774 -2.482 1.481 1.00 0.00 C ATOM 546 C LEU A 38 14.401 -3.644 2.237 1.00 0.00 C ATOM 547 O LEU A 38 14.425 -4.761 1.720 1.00 0.00 O ATOM 548 CB LEU A 38 12.269 -2.631 1.424 1.00 0.00 C ATOM 549 CG LEU A 38 11.632 -1.911 0.233 1.00 0.00 C ATOM 550 CD1 LEU A 38 11.895 -0.399 0.144 1.00 0.00 C ATOM 551 CD2 LEU A 38 11.585 -2.717 -1.054 1.00 0.00 C ATOM 0 H LEU A 38 13.667 -2.949 -0.481 1.00 0.00 H new ATOM 0 HA LEU A 38 14.021 -1.560 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.018 -3.691 1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.838 -2.243 2.347 1.00 0.00 H new ATOM 0 HG LEU A 38 10.570 -1.878 0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.397 0.006 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.508 0.091 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.968 -0.220 0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.117 -2.123 -1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 38 12.599 -2.981 -1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.006 -3.626 -0.893 1.00 0.00 H new ATOM 563 N LYS A 39 14.868 -3.406 3.461 1.00 0.00 N ATOM 564 CA LYS A 39 15.512 -4.428 4.285 1.00 0.00 C ATOM 565 C LYS A 39 14.563 -4.837 5.413 1.00 0.00 C ATOM 566 O LYS A 39 13.735 -4.021 5.827 1.00 0.00 O ATOM 567 CB LYS A 39 16.821 -3.846 4.834 1.00 0.00 C ATOM 568 CG LYS A 39 17.707 -3.205 3.753 1.00 0.00 C ATOM 569 CD LYS A 39 18.981 -2.671 4.401 1.00 0.00 C ATOM 570 CE LYS A 39 19.623 -1.595 3.525 1.00 0.00 C ATOM 571 NZ LYS A 39 20.922 -1.171 4.078 1.00 0.00 N ATOM 0 H LYS A 39 14.810 -2.493 3.912 1.00 0.00 H new ATOM 0 HA LYS A 39 15.740 -5.319 3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.587 -3.098 5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 39 17.382 -4.638 5.330 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.955 -3.939 2.986 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.170 -2.396 3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 39 18.750 -2.258 5.383 1.00 0.00 H new ATOM 0 HD3 LYS A 39 19.685 -3.488 4.557 1.00 0.00 H new ATOM 0 HE2 LYS A 39 19.762 -1.979 2.514 1.00 0.00 H new ATOM 0 HE3 LYS A 39 18.957 -0.735 3.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 21.338 -0.440 3.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 20.783 -0.784 5.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 21.563 -1.989 4.125 1.00 0.00 H new ATOM 585 N GLY A 40 14.724 -6.029 5.990 1.00 0.00 N ATOM 586 CA GLY A 40 13.750 -6.588 6.936 1.00 0.00 C ATOM 587 C GLY A 40 12.582 -7.286 6.220 1.00 0.00 C ATOM 588 O GLY A 40 12.575 -7.374 4.993 1.00 0.00 O ATOM 0 H GLY A 40 15.528 -6.633 5.818 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.250 -7.301 7.592 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.362 -5.790 7.569 1.00 0.00 H new ATOM 592 N ASN A 41 11.589 -7.801 6.969 1.00 0.00 N ATOM 593 CA ASN A 41 10.400 -8.512 6.445 1.00 0.00 C ATOM 594 C ASN A 41 9.104 -7.728 6.645 1.00 0.00 C ATOM 595 O ASN A 41 8.125 -7.959 5.930 1.00 0.00 O ATOM 596 CB ASN A 41 10.239 -9.885 7.119 1.00 0.00 C ATOM 597 CG ASN A 41 8.929 -10.600 6.750 1.00 0.00 C ATOM 598 OD1 ASN A 41 8.637 -10.907 5.593 1.00 0.00 O ATOM 599 ND2 ASN A 41 8.080 -10.880 7.729 1.00 0.00 N ATOM 0 H ASN A 41 11.589 -7.734 7.987 1.00 0.00 H new ATOM 0 HA ASN A 41 10.574 -8.628 5.375 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.081 -10.519 6.840 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.282 -9.757 8.201 1.00 0.00 H new ATOM 0 HD21 ASN A 41 7.196 -11.345 7.520 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.311 -10.631 8.691 1.00 0.00 H new ATOM 606 N LYS A 42 9.052 -6.811 7.613 1.00 0.00 N ATOM 607 CA LYS A 42 7.855 -6.016 7.838 1.00 0.00 C ATOM 608 C LYS A 42 7.677 -5.064 6.670 1.00 0.00 C ATOM 609 O LYS A 42 8.422 -4.097 6.545 1.00 0.00 O ATOM 610 CB LYS A 42 7.949 -5.233 9.148 1.00 0.00 C ATOM 611 CG LYS A 42 7.598 -6.038 10.407 1.00 0.00 C ATOM 612 CD LYS A 42 6.086 -6.248 10.479 1.00 0.00 C ATOM 613 CE LYS A 42 5.663 -7.035 11.713 1.00 0.00 C ATOM 614 NZ LYS A 42 4.198 -7.235 11.714 1.00 0.00 N ATOM 0 H LYS A 42 9.823 -6.605 8.248 1.00 0.00 H new ATOM 0 HA LYS A 42 6.995 -6.681 7.914 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.963 -4.847 9.252 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.284 -4.371 9.088 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.108 -7.001 10.389 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.944 -5.511 11.296 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.588 -5.279 10.482 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.753 -6.775 9.585 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.169 -8.000 11.729 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.965 -6.502 12.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.968 -8.118 12.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.739 -6.435 12.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.855 -7.293 10.734 1.00 0.00 H new ATOM 628 N LEU A 43 6.697 -5.331 5.824 1.00 0.00 N ATOM 629 CA LEU A 43 6.374 -4.542 4.645 1.00 0.00 C ATOM 630 C LEU A 43 5.299 -3.553 5.071 1.00 0.00 C ATOM 631 O LEU A 43 4.243 -3.970 5.567 1.00 0.00 O ATOM 632 CB LEU A 43 5.871 -5.458 3.513 1.00 0.00 C ATOM 633 CG LEU A 43 6.157 -4.918 2.103 1.00 0.00 C ATOM 634 CD1 LEU A 43 5.504 -5.845 1.073 1.00 0.00 C ATOM 635 CD2 LEU A 43 5.624 -3.500 1.877 1.00 0.00 C ATOM 0 H LEU A 43 6.080 -6.134 5.943 1.00 0.00 H new ATOM 0 HA LEU A 43 7.249 -4.017 4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.337 -6.438 3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.796 -5.602 3.625 1.00 0.00 H new ATOM 0 HG LEU A 43 7.241 -4.883 1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.702 -5.470 0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.917 -6.849 1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.428 -5.877 1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.860 -3.180 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.543 -3.491 2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.089 -2.819 2.589 1.00 0.00 H new ATOM 647 N TYR A 44 5.544 -2.260 4.902 1.00 0.00 N ATOM 648 CA TYR A 44 4.592 -1.217 5.240 1.00 0.00 C ATOM 649 C TYR A 44 4.237 -0.477 3.959 1.00 0.00 C ATOM 650 O TYR A 44 5.119 0.042 3.281 1.00 0.00 O ATOM 651 CB TYR A 44 5.197 -0.303 6.310 1.00 0.00 C ATOM 652 CG TYR A 44 5.547 -1.013 7.605 1.00 0.00 C ATOM 653 CD1 TYR A 44 4.534 -1.620 8.375 1.00 0.00 C ATOM 654 CD2 TYR A 44 6.877 -1.042 8.059 1.00 0.00 C ATOM 655 CE1 TYR A 44 4.855 -2.236 9.597 1.00 0.00 C ATOM 656 CE2 TYR A 44 7.198 -1.646 9.286 1.00 0.00 C ATOM 657 CZ TYR A 44 6.181 -2.221 10.080 1.00 0.00 C ATOM 658 OH TYR A 44 6.460 -2.793 11.285 1.00 0.00 O ATOM 0 H TYR A 44 6.421 -1.905 4.521 1.00 0.00 H new ATOM 0 HA TYR A 44 3.674 -1.627 5.662 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.097 0.162 5.908 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.493 0.500 6.527 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.512 -1.612 8.026 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.658 -0.597 7.460 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.081 -2.724 10.171 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.224 -1.671 9.623 1.00 0.00 H new ATOM 0 HH TYR A 44 7.417 -2.702 11.477 1.00 0.00 H new ATOM 668 N VAL A 45 2.950 -0.445 3.613 1.00 0.00 N ATOM 669 CA VAL A 45 2.407 0.356 2.517 1.00 0.00 C ATOM 670 C VAL A 45 1.543 1.445 3.145 1.00 0.00 C ATOM 671 O VAL A 45 0.882 1.192 4.163 1.00 0.00 O ATOM 672 CB VAL A 45 1.590 -0.513 1.544 1.00 0.00 C ATOM 673 CG1 VAL A 45 1.111 0.315 0.354 1.00 0.00 C ATOM 674 CG2 VAL A 45 2.371 -1.728 1.045 1.00 0.00 C ATOM 0 H VAL A 45 2.238 -0.990 4.100 1.00 0.00 H new ATOM 0 HA VAL A 45 3.212 0.798 1.930 1.00 0.00 H new ATOM 0 HB VAL A 45 0.730 -0.881 2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.536 -0.318 -0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.483 1.132 0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.972 0.723 -0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.748 -2.306 0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.268 -1.395 0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.655 -2.351 1.893 1.00 0.00 H new ATOM 684 N LYS A 46 1.528 2.622 2.521 1.00 0.00 N ATOM 685 CA LYS A 46 0.731 3.774 2.899 1.00 0.00 C ATOM 686 C LYS A 46 -0.073 4.154 1.656 1.00 0.00 C ATOM 687 O LYS A 46 0.429 4.890 0.809 1.00 0.00 O ATOM 688 CB LYS A 46 1.668 4.865 3.448 1.00 0.00 C ATOM 689 CG LYS A 46 0.968 6.196 3.713 1.00 0.00 C ATOM 690 CD LYS A 46 1.626 7.022 4.830 1.00 0.00 C ATOM 691 CE LYS A 46 2.838 7.800 4.308 1.00 0.00 C ATOM 692 NZ LYS A 46 3.393 8.723 5.322 1.00 0.00 N ATOM 0 H LYS A 46 2.103 2.800 1.697 1.00 0.00 H new ATOM 0 HA LYS A 46 0.021 3.590 3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.120 4.511 4.375 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.480 5.026 2.738 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.960 6.783 2.794 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.072 6.004 3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.898 7.717 5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.937 6.361 5.639 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.611 7.097 3.998 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.549 8.367 3.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.211 9.226 4.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.665 9.411 5.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.694 8.181 6.157 1.00 0.00 H new ATOM 706 N ALA A 47 -1.238 3.516 1.499 1.00 0.00 N ATOM 707 CA ALA A 47 -1.962 3.383 0.240 1.00 0.00 C ATOM 708 C ALA A 47 -3.148 4.343 0.170 1.00 0.00 C ATOM 709 O ALA A 47 -3.990 4.389 1.076 1.00 0.00 O ATOM 710 CB ALA A 47 -2.430 1.933 0.074 1.00 0.00 C ATOM 0 H ALA A 47 -1.716 3.063 2.278 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.288 3.644 -0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.972 1.831 -0.866 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.565 1.270 0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.087 1.666 0.902 1.00 0.00 H new ATOM 716 N ARG A 48 -3.262 5.061 -0.953 1.00 0.00 N ATOM 717 CA ARG A 48 -4.285 6.081 -1.137 1.00 0.00 C ATOM 718 C ARG A 48 -5.546 5.495 -1.775 1.00 0.00 C ATOM 719 O ARG A 48 -5.603 5.299 -2.989 1.00 0.00 O ATOM 720 CB ARG A 48 -3.717 7.240 -1.963 1.00 0.00 C ATOM 721 CG ARG A 48 -4.691 8.426 -2.066 1.00 0.00 C ATOM 722 CD ARG A 48 -4.425 9.501 -1.011 1.00 0.00 C ATOM 723 NE ARG A 48 -3.216 10.281 -1.309 1.00 0.00 N ATOM 724 CZ ARG A 48 -3.122 11.333 -2.130 1.00 0.00 C ATOM 725 NH1 ARG A 48 -4.167 11.789 -2.817 1.00 0.00 N ATOM 726 NH2 ARG A 48 -1.944 11.916 -2.270 1.00 0.00 N ATOM 0 H ARG A 48 -2.644 4.947 -1.757 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.578 6.466 -0.160 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.784 7.579 -1.513 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.477 6.884 -2.965 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.613 8.870 -3.059 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.713 8.062 -1.959 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.283 10.171 -0.953 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.321 9.031 -0.033 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.358 9.990 -0.841 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.075 11.334 -2.726 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.060 12.594 -3.434 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.136 11.562 -1.759 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.843 12.720 -2.889 1.00 0.00 H new ATOM 740 N PHE A 49 -6.567 5.263 -0.954 1.00 0.00 N ATOM 741 CA PHE A 49 -7.903 4.837 -1.346 1.00 0.00 C ATOM 742 C PHE A 49 -8.781 6.086 -1.431 1.00 0.00 C ATOM 743 O PHE A 49 -9.178 6.607 -0.381 1.00 0.00 O ATOM 744 CB PHE A 49 -8.492 3.875 -0.300 1.00 0.00 C ATOM 745 CG PHE A 49 -7.746 2.579 -0.076 1.00 0.00 C ATOM 746 CD1 PHE A 49 -6.626 2.572 0.772 1.00 0.00 C ATOM 747 CD2 PHE A 49 -8.172 1.378 -0.678 1.00 0.00 C ATOM 748 CE1 PHE A 49 -5.928 1.381 1.004 1.00 0.00 C ATOM 749 CE2 PHE A 49 -7.521 0.170 -0.376 1.00 0.00 C ATOM 750 CZ PHE A 49 -6.411 0.168 0.484 1.00 0.00 C ATOM 0 H PHE A 49 -6.477 5.374 0.056 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.861 4.318 -2.304 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.552 4.402 0.652 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -9.513 3.634 -0.596 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.303 3.487 1.246 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -8.999 1.386 -1.372 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.017 1.394 1.584 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.874 -0.756 -0.805 1.00 0.00 H new ATOM 0 HZ PHE A 49 -5.930 -0.763 0.745 1.00 0.00 H new ATOM 760 N MET A 50 -9.060 6.583 -2.636 1.00 0.00 N ATOM 761 CA MET A 50 -9.920 7.751 -2.820 1.00 0.00 C ATOM 762 C MET A 50 -11.330 7.222 -3.046 1.00 0.00 C ATOM 763 O MET A 50 -11.541 6.415 -3.953 1.00 0.00 O ATOM 764 CB MET A 50 -9.491 8.645 -3.996 1.00 0.00 C ATOM 765 CG MET A 50 -7.973 8.840 -4.161 1.00 0.00 C ATOM 766 SD MET A 50 -7.251 10.417 -3.635 1.00 0.00 S ATOM 767 CE MET A 50 -8.009 10.556 -2.010 1.00 0.00 C ATOM 0 H MET A 50 -8.699 6.191 -3.506 1.00 0.00 H new ATOM 0 HA MET A 50 -9.854 8.386 -1.936 1.00 0.00 H new ATOM 0 HB2 MET A 50 -9.887 8.218 -4.917 1.00 0.00 H new ATOM 0 HB3 MET A 50 -9.954 9.624 -3.873 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.473 8.044 -3.609 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.731 8.698 -5.214 1.00 0.00 H new ATOM 0 HE1 MET A 50 -7.499 11.329 -1.435 1.00 0.00 H new ATOM 0 HE2 MET A 50 -9.061 10.821 -2.120 1.00 0.00 H new ATOM 0 HE3 MET A 50 -7.928 9.603 -1.488 1.00 0.00 H new ATOM 777 N GLY A 51 -12.275 7.636 -2.209 1.00 0.00 N ATOM 778 CA GLY A 51 -13.616 7.062 -2.146 1.00 0.00 C ATOM 779 C GLY A 51 -13.661 5.837 -1.223 1.00 0.00 C ATOM 780 O GLY A 51 -12.636 5.243 -0.874 1.00 0.00 O ATOM 0 H GLY A 51 -12.129 8.394 -1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.318 7.815 -1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.938 6.776 -3.147 1.00 0.00 H new ATOM 784 N TYR A 52 -14.859 5.486 -0.753 1.00 0.00 N ATOM 785 CA TYR A 52 -15.067 4.507 0.310 1.00 0.00 C ATOM 786 C TYR A 52 -14.785 3.087 -0.190 1.00 0.00 C ATOM 787 O TYR A 52 -15.363 2.657 -1.191 1.00 0.00 O ATOM 788 CB TYR A 52 -16.511 4.619 0.853 1.00 0.00 C ATOM 789 CG TYR A 52 -16.585 4.953 2.331 1.00 0.00 C ATOM 790 CD1 TYR A 52 -16.238 3.986 3.294 1.00 0.00 C ATOM 791 CD2 TYR A 52 -16.974 6.243 2.743 1.00 0.00 C ATOM 792 CE1 TYR A 52 -16.254 4.320 4.661 1.00 0.00 C ATOM 793 CE2 TYR A 52 -17.002 6.580 4.108 1.00 0.00 C ATOM 794 CZ TYR A 52 -16.625 5.620 5.071 1.00 0.00 C ATOM 795 OH TYR A 52 -16.595 5.941 6.393 1.00 0.00 O ATOM 0 H TYR A 52 -15.728 5.884 -1.109 1.00 0.00 H new ATOM 0 HA TYR A 52 -14.369 4.719 1.120 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -17.043 5.386 0.290 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -17.030 3.677 0.677 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -15.960 2.990 2.984 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -17.253 6.979 2.004 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -15.982 3.580 5.399 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -17.310 7.568 4.417 1.00 0.00 H new ATOM 0 HH TYR A 52 -16.877 6.872 6.510 1.00 0.00 H new ATOM 805 N THR A 53 -13.985 2.321 0.556 1.00 0.00 N ATOM 806 CA THR A 53 -14.056 0.863 0.565 1.00 0.00 C ATOM 807 C THR A 53 -13.742 0.362 1.965 1.00 0.00 C ATOM 808 O THR A 53 -13.036 1.021 2.732 1.00 0.00 O ATOM 809 CB THR A 53 -13.138 0.232 -0.502 1.00 0.00 C ATOM 810 OG1 THR A 53 -13.459 -1.137 -0.677 1.00 0.00 O ATOM 811 CG2 THR A 53 -11.647 0.338 -0.149 1.00 0.00 C ATOM 0 H THR A 53 -13.267 2.700 1.173 1.00 0.00 H new ATOM 0 HA THR A 53 -15.067 0.554 0.300 1.00 0.00 H new ATOM 0 HB THR A 53 -13.310 0.794 -1.420 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.644 -1.311 -1.623 1.00 0.00 H new ATOM 0 HG21 THR A 53 -11.053 -0.124 -0.938 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.370 1.388 -0.053 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.459 -0.175 0.794 1.00 0.00 H new ATOM 819 N LYS A 54 -14.239 -0.845 2.240 1.00 0.00 N ATOM 820 CA LYS A 54 -13.930 -1.683 3.391 1.00 0.00 C ATOM 821 C LYS A 54 -13.726 -3.130 2.912 1.00 0.00 C ATOM 822 O LYS A 54 -14.046 -4.073 3.634 1.00 0.00 O ATOM 823 CB LYS A 54 -15.055 -1.574 4.443 1.00 0.00 C ATOM 824 CG LYS A 54 -15.095 -0.212 5.153 1.00 0.00 C ATOM 825 CD LYS A 54 -16.507 0.345 5.310 1.00 0.00 C ATOM 826 CE LYS A 54 -17.239 -0.235 6.516 1.00 0.00 C ATOM 827 NZ LYS A 54 -18.656 0.174 6.506 1.00 0.00 N ATOM 0 H LYS A 54 -14.915 -1.290 1.619 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.010 -1.347 3.869 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -16.015 -1.751 3.958 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.924 -2.360 5.187 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -14.639 -0.310 6.138 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -14.491 0.501 4.591 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.456 1.429 5.408 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -17.079 0.133 4.407 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -17.168 -1.323 6.503 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.763 0.105 7.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -19.140 -0.229 7.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -18.718 1.212 6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -19.111 -0.171 5.637 1.00 0.00 H new ATOM 841 N LEU A 55 -13.308 -3.317 1.653 1.00 0.00 N ATOM 842 CA LEU A 55 -13.209 -4.615 0.996 1.00 0.00 C ATOM 843 C LEU A 55 -11.830 -4.723 0.341 1.00 0.00 C ATOM 844 O LEU A 55 -11.721 -5.042 -0.847 1.00 0.00 O ATOM 845 CB LEU A 55 -14.339 -4.795 -0.033 1.00 0.00 C ATOM 846 CG LEU A 55 -15.781 -4.772 0.520 1.00 0.00 C ATOM 847 CD1 LEU A 55 -16.427 -3.387 0.362 1.00 0.00 C ATOM 848 CD2 LEU A 55 -16.652 -5.796 -0.215 1.00 0.00 C ATOM 0 H LEU A 55 -13.023 -2.544 1.052 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.321 -5.413 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -14.248 -4.008 -0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.185 -5.744 -0.547 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.719 -5.018 1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -17.441 -3.410 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -15.839 -2.647 0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -16.460 -3.119 -0.694 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.665 -5.767 0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.676 -5.557 -1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.235 -6.794 -0.077 1.00 0.00 H new ATOM 860 N THR A 56 -10.781 -4.405 1.096 1.00 0.00 N ATOM 861 CA THR A 56 -9.407 -4.539 0.646 1.00 0.00 C ATOM 862 C THR A 56 -9.041 -6.035 0.636 1.00 0.00 C ATOM 863 O THR A 56 -9.501 -6.778 1.512 1.00 0.00 O ATOM 864 CB THR A 56 -8.501 -3.720 1.592 1.00 0.00 C ATOM 865 OG1 THR A 56 -9.071 -2.461 1.943 1.00 0.00 O ATOM 866 CG2 THR A 56 -7.164 -3.448 0.907 1.00 0.00 C ATOM 0 H THR A 56 -10.867 -4.044 2.046 1.00 0.00 H new ATOM 0 HA THR A 56 -9.272 -4.154 -0.365 1.00 0.00 H new ATOM 0 HB THR A 56 -8.378 -4.311 2.499 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.462 -1.982 2.543 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.524 -2.870 1.574 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.678 -4.394 0.668 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.333 -2.885 -0.011 1.00 0.00 H new ATOM 874 N VAL A 57 -8.212 -6.480 -0.315 1.00 0.00 N ATOM 875 CA VAL A 57 -7.721 -7.853 -0.441 1.00 0.00 C ATOM 876 C VAL A 57 -6.239 -7.793 -0.836 1.00 0.00 C ATOM 877 O VAL A 57 -5.781 -6.830 -1.456 1.00 0.00 O ATOM 878 CB VAL A 57 -8.568 -8.634 -1.481 1.00 0.00 C ATOM 879 CG1 VAL A 57 -8.112 -10.101 -1.641 1.00 0.00 C ATOM 880 CG2 VAL A 57 -10.064 -8.608 -1.124 1.00 0.00 C ATOM 0 H VAL A 57 -7.852 -5.867 -1.046 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.816 -8.386 0.505 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.411 -8.123 -2.431 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.740 -10.598 -2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.073 -10.125 -1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.201 -10.616 -0.684 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.627 -9.164 -1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.213 -9.065 -0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.414 -7.576 -1.099 1.00 0.00 H new ATOM 890 N ILE A 58 -5.497 -8.844 -0.486 1.00 0.00 N ATOM 891 CA ILE A 58 -4.118 -9.105 -0.873 1.00 0.00 C ATOM 892 C ILE A 58 -4.098 -10.614 -1.135 1.00 0.00 C ATOM 893 O ILE A 58 -4.566 -11.369 -0.280 1.00 0.00 O ATOM 894 CB ILE A 58 -3.116 -8.705 0.239 1.00 0.00 C ATOM 895 CG1 ILE A 58 -3.434 -7.334 0.880 1.00 0.00 C ATOM 896 CG2 ILE A 58 -1.685 -8.730 -0.331 1.00 0.00 C ATOM 897 CD1 ILE A 58 -2.472 -6.957 2.006 1.00 0.00 C ATOM 0 H ILE A 58 -5.871 -9.580 0.113 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.811 -8.520 -1.740 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.207 -9.436 1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.401 -6.564 0.110 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.451 -7.350 1.271 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.978 -8.449 0.449 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.453 -9.734 -0.687 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.611 -8.025 -1.159 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.751 -5.985 2.412 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.523 -7.708 2.794 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.456 -6.909 1.615 1.00 0.00 H new ATOM 909 N THR A 59 -3.658 -11.031 -2.322 1.00 0.00 N ATOM 910 CA THR A 59 -3.785 -12.397 -2.808 1.00 0.00 C ATOM 911 C THR A 59 -2.824 -13.368 -2.103 1.00 0.00 C ATOM 912 O THR A 59 -3.199 -14.511 -1.852 1.00 0.00 O ATOM 913 CB THR A 59 -3.584 -12.375 -4.335 1.00 0.00 C ATOM 914 OG1 THR A 59 -4.496 -11.460 -4.928 1.00 0.00 O ATOM 915 CG2 THR A 59 -3.752 -13.727 -5.028 1.00 0.00 C ATOM 0 H THR A 59 -3.193 -10.411 -2.985 1.00 0.00 H new ATOM 0 HA THR A 59 -4.780 -12.776 -2.573 1.00 0.00 H new ATOM 0 HB THR A 59 -2.546 -12.075 -4.477 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.511 -11.596 -5.898 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.591 -13.609 -6.100 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.025 -14.434 -4.628 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.759 -14.104 -4.851 1.00 0.00 H new ATOM 923 N GLY A 60 -1.602 -12.927 -1.778 1.00 0.00 N ATOM 924 CA GLY A 60 -0.595 -13.759 -1.129 1.00 0.00 C ATOM 925 C GLY A 60 -0.137 -14.945 -1.980 1.00 0.00 C ATOM 926 O GLY A 60 -0.716 -15.258 -3.021 1.00 0.00 O ATOM 0 H GLY A 60 -1.287 -11.974 -1.962 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.270 -13.143 -0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.997 -14.132 -0.187 1.00 0.00 H new ATOM 930 N LYS A 61 0.929 -15.620 -1.542 1.00 0.00 N ATOM 931 CA LYS A 61 1.439 -16.832 -2.174 1.00 0.00 C ATOM 932 C LYS A 61 0.327 -17.863 -2.310 1.00 0.00 C ATOM 933 O LYS A 61 0.063 -18.342 -3.411 1.00 0.00 O ATOM 934 CB LYS A 61 2.635 -17.344 -1.357 1.00 0.00 C ATOM 935 CG LYS A 61 3.790 -17.774 -2.251 1.00 0.00 C ATOM 936 CD LYS A 61 5.023 -18.103 -1.395 1.00 0.00 C ATOM 937 CE LYS A 61 6.019 -16.952 -1.190 1.00 0.00 C ATOM 938 NZ LYS A 61 6.722 -16.536 -2.422 1.00 0.00 N ATOM 0 H LYS A 61 1.468 -15.332 -0.725 1.00 0.00 H new ATOM 0 HA LYS A 61 1.787 -16.624 -3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.973 -16.561 -0.678 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.320 -18.186 -0.741 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.501 -18.646 -2.838 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.029 -16.979 -2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.683 -18.443 -0.417 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.551 -18.937 -1.857 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.486 -16.093 -0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.758 -17.253 -0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.709 -16.301 -2.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.701 -17.313 -3.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.251 -15.701 -2.825 1.00 0.00 H new ATOM 952 N ASP A 62 -0.393 -18.070 -1.213 1.00 0.00 N ATOM 953 CA ASP A 62 -1.519 -18.983 -1.074 1.00 0.00 C ATOM 954 C ASP A 62 -2.623 -18.770 -2.106 1.00 0.00 C ATOM 955 O ASP A 62 -3.386 -19.698 -2.376 1.00 0.00 O ATOM 956 CB ASP A 62 -2.162 -18.801 0.307 1.00 0.00 C ATOM 957 CG ASP A 62 -1.175 -18.952 1.447 1.00 0.00 C ATOM 958 OD1 ASP A 62 -0.500 -17.944 1.762 1.00 0.00 O ATOM 959 OD2 ASP A 62 -1.073 -20.071 1.994 1.00 0.00 O ATOM 0 H ASP A 62 -0.193 -17.574 -0.345 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.103 -19.980 -1.219 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.621 -17.814 0.360 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -2.962 -19.531 0.428 1.00 0.00 H new ATOM 964 N GLY A 63 -2.782 -17.559 -2.649 1.00 0.00 N ATOM 965 CA GLY A 63 -4.017 -17.205 -3.334 1.00 0.00 C ATOM 966 C GLY A 63 -5.187 -17.216 -2.352 1.00 0.00 C ATOM 967 O GLY A 63 -6.281 -17.687 -2.685 1.00 0.00 O ATOM 0 H GLY A 63 -2.079 -16.821 -2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.921 -16.217 -3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.206 -17.909 -4.145 1.00 0.00 H new ATOM 971 N LYS A 64 -4.957 -16.728 -1.130 1.00 0.00 N ATOM 972 CA LYS A 64 -5.927 -16.565 -0.063 1.00 0.00 C ATOM 973 C LYS A 64 -5.729 -15.186 0.542 1.00 0.00 C ATOM 974 O LYS A 64 -4.608 -14.698 0.662 1.00 0.00 O ATOM 975 CB LYS A 64 -5.745 -17.644 1.013 1.00 0.00 C ATOM 976 CG LYS A 64 -5.962 -19.047 0.440 1.00 0.00 C ATOM 977 CD LYS A 64 -6.208 -20.069 1.555 1.00 0.00 C ATOM 978 CE LYS A 64 -6.504 -21.463 0.990 1.00 0.00 C ATOM 979 NZ LYS A 64 -5.287 -22.267 0.750 1.00 0.00 N ATOM 0 H LYS A 64 -4.026 -16.419 -0.850 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.936 -16.667 -0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.743 -17.573 1.436 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.448 -17.470 1.828 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.813 -19.037 -0.242 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.090 -19.344 -0.143 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.334 -20.117 2.204 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.045 -19.741 2.172 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.154 -21.998 1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.053 -21.359 0.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.555 -23.197 0.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.676 -21.776 0.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.773 -22.395 1.645 1.00 0.00 H new ATOM 993 N ASN A 65 -6.835 -14.570 0.935 1.00 0.00 N ATOM 994 CA ASN A 65 -6.915 -13.205 1.427 1.00 0.00 C ATOM 995 C ASN A 65 -6.045 -13.024 2.667 1.00 0.00 C ATOM 996 O ASN A 65 -6.500 -13.333 3.769 1.00 0.00 O ATOM 997 CB ASN A 65 -8.391 -12.914 1.748 1.00 0.00 C ATOM 998 CG ASN A 65 -8.776 -11.459 1.810 1.00 0.00 C ATOM 999 OD1 ASN A 65 -9.651 -11.042 1.069 1.00 0.00 O ATOM 1000 ND2 ASN A 65 -8.171 -10.680 2.684 1.00 0.00 N ATOM 0 H ASN A 65 -7.744 -15.032 0.918 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.546 -12.509 0.674 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.010 -13.402 0.995 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.632 -13.375 2.706 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.430 -9.696 2.756 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.443 -11.061 3.289 1.00 0.00 H new ATOM 1007 N LEU A 66 -4.836 -12.475 2.534 1.00 0.00 N ATOM 1008 CA LEU A 66 -3.924 -12.332 3.675 1.00 0.00 C ATOM 1009 C LEU A 66 -4.525 -11.456 4.776 1.00 0.00 C ATOM 1010 O LEU A 66 -4.283 -11.684 5.960 1.00 0.00 O ATOM 1011 CB LEU A 66 -2.579 -11.733 3.246 1.00 0.00 C ATOM 1012 CG LEU A 66 -1.810 -12.556 2.197 1.00 0.00 C ATOM 1013 CD1 LEU A 66 -0.453 -11.878 1.968 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -1.581 -13.994 2.670 1.00 0.00 C ATOM 0 H LEU A 66 -4.465 -12.123 1.652 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.765 -13.337 4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.753 -10.734 2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.950 -11.618 4.129 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.394 -12.597 1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.115 -12.441 1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.610 -10.861 1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.102 -11.849 2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.035 -14.546 1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.002 -13.985 3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.542 -14.476 2.849 1.00 0.00 H new ATOM 1026 N LEU A 67 -5.343 -10.467 4.398 1.00 0.00 N ATOM 1027 CA LEU A 67 -6.055 -9.615 5.347 1.00 0.00 C ATOM 1028 C LEU A 67 -7.181 -10.342 6.092 1.00 0.00 C ATOM 1029 O LEU A 67 -7.797 -9.742 6.966 1.00 0.00 O ATOM 1030 CB LEU A 67 -6.614 -8.371 4.626 1.00 0.00 C ATOM 1031 CG LEU A 67 -5.582 -7.258 4.442 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -6.114 -6.225 3.442 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -5.275 -6.577 5.777 1.00 0.00 C ATOM 0 H LEU A 67 -5.528 -10.237 3.422 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.327 -9.315 6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.995 -8.668 3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.460 -7.982 5.193 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.660 -7.697 4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.378 -5.432 3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.300 -6.709 2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.043 -5.798 3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.538 -5.789 5.622 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.189 -6.145 6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.878 -7.312 6.478 1.00 0.00 H new ATOM 1045 N TYR A 68 -7.468 -11.605 5.774 1.00 0.00 N ATOM 1046 CA TYR A 68 -8.329 -12.490 6.550 1.00 0.00 C ATOM 1047 C TYR A 68 -7.550 -13.790 6.810 1.00 0.00 C ATOM 1048 O TYR A 68 -8.120 -14.881 6.830 1.00 0.00 O ATOM 1049 CB TYR A 68 -9.656 -12.659 5.792 1.00 0.00 C ATOM 1050 CG TYR A 68 -10.840 -13.129 6.623 1.00 0.00 C ATOM 1051 CD1 TYR A 68 -11.463 -12.256 7.539 1.00 0.00 C ATOM 1052 CD2 TYR A 68 -11.367 -14.419 6.431 1.00 0.00 C ATOM 1053 CE1 TYR A 68 -12.606 -12.665 8.253 1.00 0.00 C ATOM 1054 CE2 TYR A 68 -12.507 -14.828 7.141 1.00 0.00 C ATOM 1055 CZ TYR A 68 -13.129 -13.961 8.061 1.00 0.00 C ATOM 1056 OH TYR A 68 -14.266 -14.358 8.698 1.00 0.00 O ATOM 0 H TYR A 68 -7.092 -12.053 4.938 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.596 -12.092 7.529 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.915 -11.704 5.334 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.501 -13.370 4.981 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -11.060 -11.266 7.694 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.894 -15.096 5.736 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -13.081 -11.987 8.947 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -12.911 -15.817 6.980 1.00 0.00 H new ATOM 0 HH TYR A 68 -14.477 -15.281 8.445 1.00 0.00 H new ATOM 1066 N ASN A 69 -6.217 -13.683 6.925 1.00 0.00 N ATOM 1067 CA ASN A 69 -5.315 -14.770 7.285 1.00 0.00 C ATOM 1068 C ASN A 69 -4.769 -14.559 8.692 1.00 0.00 C ATOM 1069 O ASN A 69 -4.919 -15.453 9.520 1.00 0.00 O ATOM 1070 CB ASN A 69 -4.172 -14.937 6.280 1.00 0.00 C ATOM 1071 CG ASN A 69 -3.254 -16.037 6.777 1.00 0.00 C ATOM 1072 OD1 ASN A 69 -2.211 -15.766 7.361 1.00 0.00 O ATOM 1073 ND2 ASN A 69 -3.661 -17.278 6.610 1.00 0.00 N ATOM 0 H ASN A 69 -5.728 -12.803 6.763 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.894 -15.693 7.261 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.566 -15.188 5.295 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.621 -14.003 6.174 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.103 -18.051 6.972 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.535 -17.466 6.119 1.00 0.00 H new ATOM 1080 N GLY A 70 -4.168 -13.395 8.959 1.00 0.00 N ATOM 1081 CA GLY A 70 -3.735 -13.039 10.305 1.00 0.00 C ATOM 1082 C GLY A 70 -2.443 -12.231 10.363 1.00 0.00 C ATOM 1083 O GLY A 70 -2.206 -11.594 11.389 1.00 0.00 O ATOM 0 H GLY A 70 -3.972 -12.684 8.255 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.527 -12.468 10.788 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -3.603 -13.953 10.884 1.00 0.00 H new ATOM 1087 N THR A 71 -1.612 -12.230 9.316 1.00 0.00 N ATOM 1088 CA THR A 71 -0.384 -11.433 9.336 1.00 0.00 C ATOM 1089 C THR A 71 -0.729 -10.000 8.920 1.00 0.00 C ATOM 1090 O THR A 71 -0.480 -9.047 9.663 1.00 0.00 O ATOM 1091 CB THR A 71 0.709 -12.046 8.435 1.00 0.00 C ATOM 1092 OG1 THR A 71 0.636 -13.459 8.381 1.00 0.00 O ATOM 1093 CG2 THR A 71 2.115 -11.658 8.911 1.00 0.00 C ATOM 0 H THR A 71 -1.764 -12.762 8.459 1.00 0.00 H new ATOM 0 HA THR A 71 0.029 -11.426 10.345 1.00 0.00 H new ATOM 0 HB THR A 71 0.527 -11.641 7.439 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.346 -13.801 7.798 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.859 -12.107 8.253 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.220 -10.573 8.890 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.267 -12.017 9.929 1.00 0.00 H new ATOM 1101 N ALA A 72 -1.310 -9.853 7.722 1.00 0.00 N ATOM 1102 CA ALA A 72 -1.700 -8.569 7.177 1.00 0.00 C ATOM 1103 C ALA A 72 -2.933 -8.078 7.912 1.00 0.00 C ATOM 1104 O ALA A 72 -3.918 -8.797 8.069 1.00 0.00 O ATOM 1105 CB ALA A 72 -1.966 -8.700 5.673 1.00 0.00 C ATOM 0 H ALA A 72 -1.520 -10.638 7.106 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.898 -7.844 7.312 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.259 -7.731 5.270 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.061 -9.043 5.172 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.768 -9.419 5.507 1.00 0.00 H new ATOM 1111 N LYS A 73 -2.882 -6.816 8.314 1.00 0.00 N ATOM 1112 CA LYS A 73 -3.895 -6.132 9.094 1.00 0.00 C ATOM 1113 C LYS A 73 -3.806 -4.661 8.721 1.00 0.00 C ATOM 1114 O LYS A 73 -2.708 -4.171 8.434 1.00 0.00 O ATOM 1115 CB LYS A 73 -3.540 -6.408 10.562 1.00 0.00 C ATOM 1116 CG LYS A 73 -4.173 -5.546 11.660 1.00 0.00 C ATOM 1117 CD LYS A 73 -3.732 -6.111 13.019 1.00 0.00 C ATOM 1118 CE LYS A 73 -3.984 -5.145 14.183 1.00 0.00 C ATOM 1119 NZ LYS A 73 -3.309 -5.578 15.425 1.00 0.00 N ATOM 0 H LYS A 73 -2.090 -6.213 8.091 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.919 -6.460 8.915 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.796 -7.446 10.772 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.458 -6.321 10.660 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -3.858 -4.507 11.559 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.260 -5.559 11.576 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.263 -7.044 13.207 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.670 -6.352 12.978 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.634 -4.150 13.909 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.056 -5.067 14.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.507 -4.895 16.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.661 -6.516 15.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.283 -5.627 15.263 1.00 0.00 H new ATOM 1133 N MET A 74 -4.934 -3.952 8.731 1.00 0.00 N ATOM 1134 CA MET A 74 -4.911 -2.504 8.845 1.00 0.00 C ATOM 1135 C MET A 74 -4.812 -2.201 10.334 1.00 0.00 C ATOM 1136 O MET A 74 -5.589 -2.747 11.134 1.00 0.00 O ATOM 1137 CB MET A 74 -6.159 -1.857 8.238 1.00 0.00 C ATOM 1138 CG MET A 74 -6.055 -0.329 8.329 1.00 0.00 C ATOM 1139 SD MET A 74 -6.775 0.350 9.839 1.00 0.00 S ATOM 1140 CE MET A 74 -8.482 0.166 9.293 1.00 0.00 C ATOM 0 H MET A 74 -5.867 -4.358 8.662 1.00 0.00 H new ATOM 0 HA MET A 74 -4.068 -2.091 8.291 1.00 0.00 H new ATOM 0 HB2 MET A 74 -6.266 -2.161 7.197 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.049 -2.201 8.764 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.006 -0.040 8.274 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.553 0.114 7.467 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.944 1.149 9.204 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.502 -0.333 8.324 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.034 -0.430 10.020 1.00 0.00 H new ATOM 1150 N PHE A 75 -3.855 -1.353 10.696 1.00 0.00 N ATOM 1151 CA PHE A 75 -3.496 -1.005 12.065 1.00 0.00 C ATOM 1152 C PHE A 75 -3.454 0.517 12.268 1.00 0.00 C ATOM 1153 O PHE A 75 -3.115 0.969 13.364 1.00 0.00 O ATOM 1154 CB PHE A 75 -2.136 -1.646 12.391 1.00 0.00 C ATOM 1155 CG PHE A 75 -0.971 -1.046 11.618 1.00 0.00 C ATOM 1156 CD1 PHE A 75 -0.749 -1.395 10.272 1.00 0.00 C ATOM 1157 CD2 PHE A 75 -0.135 -0.095 12.234 1.00 0.00 C ATOM 1158 CE1 PHE A 75 0.300 -0.798 9.550 1.00 0.00 C ATOM 1159 CE2 PHE A 75 0.904 0.512 11.507 1.00 0.00 C ATOM 1160 CZ PHE A 75 1.123 0.161 10.164 1.00 0.00 C ATOM 0 H PHE A 75 -3.281 -0.866 10.008 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.256 -1.388 12.745 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.943 -1.542 13.459 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.188 -2.714 12.179 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.386 -2.123 9.793 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.293 0.169 13.269 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.473 -1.077 8.521 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.535 1.249 11.981 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.921 0.627 9.606 1.00 0.00 H new ATOM 1170 N LYS A 76 -3.757 1.312 11.235 1.00 0.00 N ATOM 1171 CA LYS A 76 -3.724 2.765 11.288 1.00 0.00 C ATOM 1172 C LYS A 76 -4.517 3.292 10.095 1.00 0.00 C ATOM 1173 O LYS A 76 -4.422 2.725 9.001 1.00 0.00 O ATOM 1174 CB LYS A 76 -2.266 3.262 11.263 1.00 0.00 C ATOM 1175 CG LYS A 76 -2.224 4.782 11.426 1.00 0.00 C ATOM 1176 CD LYS A 76 -0.808 5.347 11.589 1.00 0.00 C ATOM 1177 CE LYS A 76 -0.845 6.874 11.464 1.00 0.00 C ATOM 1178 NZ LYS A 76 -1.629 7.506 12.546 1.00 0.00 N ATOM 0 H LYS A 76 -4.037 0.949 10.324 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.172 3.132 12.212 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.698 2.787 12.063 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.793 2.976 10.324 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.692 5.244 10.557 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.819 5.062 12.295 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.401 5.061 12.559 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.148 4.926 10.830 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.173 7.263 11.481 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.274 7.147 10.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.556 8.541 12.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.626 7.222 12.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.257 7.200 13.468 1.00 0.00 H new ATOM 1192 N SER A 77 -5.277 4.365 10.292 1.00 0.00 N ATOM 1193 CA SER A 77 -6.170 4.901 9.286 1.00 0.00 C ATOM 1194 C SER A 77 -6.510 6.360 9.619 1.00 0.00 C ATOM 1195 O SER A 77 -7.345 6.604 10.487 1.00 0.00 O ATOM 1196 CB SER A 77 -7.409 3.978 9.245 1.00 0.00 C ATOM 1197 OG SER A 77 -7.980 3.728 10.527 1.00 0.00 O ATOM 0 H SER A 77 -5.286 4.889 11.167 1.00 0.00 H new ATOM 0 HA SER A 77 -5.715 4.920 8.296 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.165 4.428 8.602 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.128 3.028 8.790 1.00 0.00 H new ATOM 0 HG SER A 77 -8.021 4.565 11.036 1.00 0.00 H new ATOM 1203 N ASP A 78 -5.898 7.331 8.942 1.00 0.00 N ATOM 1204 CA ASP A 78 -6.225 8.764 9.032 1.00 0.00 C ATOM 1205 C ASP A 78 -7.299 9.082 7.983 1.00 0.00 C ATOM 1206 O ASP A 78 -7.698 8.204 7.211 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.963 9.615 8.788 1.00 0.00 C ATOM 1208 CG ASP A 78 -4.930 10.999 9.448 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -5.930 11.753 9.396 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -3.871 11.346 10.022 1.00 0.00 O ATOM 0 H ASP A 78 -5.135 7.141 8.293 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.601 9.000 10.028 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.099 9.050 9.137 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.844 9.747 7.713 1.00 0.00 H new ATOM 1215 N ALA A 79 -7.778 10.320 7.926 1.00 0.00 N ATOM 1216 CA ALA A 79 -8.842 10.788 7.058 1.00 0.00 C ATOM 1217 C ALA A 79 -8.332 12.005 6.295 1.00 0.00 C ATOM 1218 O ALA A 79 -7.926 12.997 6.904 1.00 0.00 O ATOM 1219 CB ALA A 79 -10.079 11.068 7.915 1.00 0.00 C ATOM 0 H ALA A 79 -7.410 11.063 8.520 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.135 10.045 6.316 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.890 11.421 7.278 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.387 10.152 8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.842 11.830 8.658 1.00 0.00 H new ATOM 1225 N ILE A 80 -8.268 11.880 4.970 1.00 0.00 N ATOM 1226 CA ILE A 80 -7.658 12.846 4.072 1.00 0.00 C ATOM 1227 C ILE A 80 -8.754 13.804 3.655 1.00 0.00 C ATOM 1228 O ILE A 80 -9.745 13.421 3.019 1.00 0.00 O ATOM 1229 CB ILE A 80 -6.995 12.174 2.851 1.00 0.00 C ATOM 1230 CG1 ILE A 80 -5.921 11.190 3.348 1.00 0.00 C ATOM 1231 CG2 ILE A 80 -6.376 13.213 1.897 1.00 0.00 C ATOM 1232 CD1 ILE A 80 -5.298 10.364 2.224 1.00 0.00 C ATOM 0 H ILE A 80 -8.655 11.073 4.480 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.851 13.375 4.579 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.758 11.638 2.287 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.136 11.747 3.860 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.365 10.517 4.082 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.919 12.702 1.050 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.154 13.886 1.538 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.616 13.787 2.428 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.549 9.690 2.640 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.074 9.782 1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.826 11.030 1.502 1.00 0.00 H new ATOM 1244 N LEU A 81 -8.541 15.050 4.036 1.00 0.00 N ATOM 1245 CA LEU A 81 -9.266 16.196 3.522 1.00 0.00 C ATOM 1246 C LEU A 81 -8.529 16.733 2.300 1.00 0.00 C ATOM 1247 O LEU A 81 -7.297 16.686 2.229 1.00 0.00 O ATOM 1248 CB LEU A 81 -9.345 17.314 4.574 1.00 0.00 C ATOM 1249 CG LEU A 81 -9.943 16.885 5.923 1.00 0.00 C ATOM 1250 CD1 LEU A 81 -9.777 18.021 6.936 1.00 0.00 C ATOM 1251 CD2 LEU A 81 -11.426 16.505 5.817 1.00 0.00 C ATOM 0 H LEU A 81 -7.838 15.299 4.732 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.278 15.882 3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.342 17.705 4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.942 18.132 4.171 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.404 15.996 6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.201 17.719 7.894 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.718 18.244 7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.295 18.909 6.574 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.797 16.210 6.799 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.996 17.361 5.456 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.540 15.674 5.121 1.00 0.00 H new ATOM 1263 N GLY A 82 -9.276 17.347 1.388 1.00 0.00 N ATOM 1264 CA GLY A 82 -8.779 18.316 0.429 1.00 0.00 C ATOM 1265 C GLY A 82 -8.558 19.656 1.135 1.00 0.00 C ATOM 1266 O GLY A 82 -8.113 19.693 2.285 1.00 0.00 O ATOM 0 H GLY A 82 -10.277 17.175 1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.845 17.965 -0.010 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.491 18.435 -0.388 1.00 0.00 H new ATOM 1270 N GLN A 83 -8.848 20.761 0.448 1.00 0.00 N ATOM 1271 CA GLN A 83 -8.664 22.115 0.960 1.00 0.00 C ATOM 1272 C GLN A 83 -9.903 22.635 1.701 1.00 0.00 C ATOM 1273 O GLN A 83 -9.747 23.475 2.589 1.00 0.00 O ATOM 1274 CB GLN A 83 -8.273 23.033 -0.211 1.00 0.00 C ATOM 1275 CG GLN A 83 -8.152 24.506 0.198 1.00 0.00 C ATOM 1276 CD GLN A 83 -7.514 25.376 -0.883 1.00 0.00 C ATOM 1277 OE1 GLN A 83 -8.190 25.916 -1.753 1.00 0.00 O ATOM 1278 NE2 GLN A 83 -6.208 25.574 -0.852 1.00 0.00 N ATOM 0 H GLN A 83 -9.225 20.737 -0.499 1.00 0.00 H new ATOM 0 HA GLN A 83 -7.864 22.106 1.701 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.323 22.698 -0.627 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -9.017 22.941 -1.002 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.143 24.895 0.431 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.559 24.576 1.110 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.641 25.127 -0.131 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -5.766 26.173 -1.549 1.00 0.00 H new ATOM 1287 N ASN A 84 -11.117 22.166 1.386 1.00 0.00 N ATOM 1288 CA ASN A 84 -12.350 22.772 1.922 1.00 0.00 C ATOM 1289 C ASN A 84 -13.080 21.789 2.834 1.00 0.00 C ATOM 1290 O ASN A 84 -14.288 21.600 2.725 1.00 0.00 O ATOM 1291 CB ASN A 84 -13.253 23.334 0.805 1.00 0.00 C ATOM 1292 CG ASN A 84 -12.480 24.153 -0.214 1.00 0.00 C ATOM 1293 OD1 ASN A 84 -11.725 25.057 0.133 1.00 0.00 O ATOM 1294 ND2 ASN A 84 -12.594 23.813 -1.482 1.00 0.00 N ATOM 0 H ASN A 84 -11.275 21.372 0.765 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.067 23.630 2.532 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -13.754 22.509 0.298 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.031 23.954 1.250 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.050 24.303 -2.192 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -13.226 23.060 -1.753 1.00 0.00 H new ATOM 1301 N LYS A 85 -12.326 21.093 3.694 1.00 0.00 N ATOM 1302 CA LYS A 85 -12.777 19.991 4.549 1.00 0.00 C ATOM 1303 C LYS A 85 -13.510 18.894 3.769 1.00 0.00 C ATOM 1304 O LYS A 85 -14.272 18.115 4.341 1.00 0.00 O ATOM 1305 CB LYS A 85 -13.567 20.536 5.752 1.00 0.00 C ATOM 1306 CG LYS A 85 -12.670 21.316 6.727 1.00 0.00 C ATOM 1307 CD LYS A 85 -13.530 21.955 7.821 1.00 0.00 C ATOM 1308 CE LYS A 85 -12.714 22.596 8.948 1.00 0.00 C ATOM 1309 NZ LYS A 85 -12.105 21.588 9.839 1.00 0.00 N ATOM 0 H LYS A 85 -11.334 21.295 3.818 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.896 19.489 4.949 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -14.366 21.186 5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -14.041 19.708 6.279 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.934 20.647 7.174 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.116 22.086 6.190 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -14.170 22.714 7.371 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -14.186 21.195 8.246 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.930 23.219 8.517 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -13.358 23.253 9.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.563 22.067 10.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.853 21.009 10.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.469 20.976 9.288 1.00 0.00 H new ATOM 1323 N VAL A 86 -13.294 18.808 2.460 1.00 0.00 N ATOM 1324 CA VAL A 86 -13.863 17.781 1.608 1.00 0.00 C ATOM 1325 C VAL A 86 -13.070 16.510 1.900 1.00 0.00 C ATOM 1326 O VAL A 86 -11.896 16.447 1.540 1.00 0.00 O ATOM 1327 CB VAL A 86 -13.779 18.208 0.126 1.00 0.00 C ATOM 1328 CG1 VAL A 86 -14.649 17.284 -0.732 1.00 0.00 C ATOM 1329 CG2 VAL A 86 -14.186 19.674 -0.108 1.00 0.00 C ATOM 0 H VAL A 86 -12.704 19.469 1.955 1.00 0.00 H new ATOM 0 HA VAL A 86 -14.922 17.615 1.806 1.00 0.00 H new ATOM 0 HB VAL A 86 -12.732 18.122 -0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -14.585 17.590 -1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -14.297 16.257 -0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -15.685 17.346 -0.398 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -14.105 19.909 -1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -15.215 19.822 0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -13.527 20.330 0.461 1.00 0.00 H new ATOM 1339 N VAL A 87 -13.640 15.524 2.595 1.00 0.00 N ATOM 1340 CA VAL A 87 -13.029 14.199 2.651 1.00 0.00 C ATOM 1341 C VAL A 87 -12.958 13.665 1.214 1.00 0.00 C ATOM 1342 O VAL A 87 -13.924 13.771 0.458 1.00 0.00 O ATOM 1343 CB VAL A 87 -13.749 13.279 3.648 1.00 0.00 C ATOM 1344 CG1 VAL A 87 -15.276 13.286 3.560 1.00 0.00 C ATOM 1345 CG2 VAL A 87 -13.198 11.851 3.582 1.00 0.00 C ATOM 0 H VAL A 87 -14.510 15.617 3.119 1.00 0.00 H new ATOM 0 HA VAL A 87 -12.013 14.247 3.044 1.00 0.00 H new ATOM 0 HB VAL A 87 -13.528 13.707 4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -15.687 12.604 4.305 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -15.647 14.294 3.747 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -15.585 12.965 2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -13.727 11.223 4.299 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -13.339 11.453 2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -12.135 11.860 3.823 1.00 0.00 H new ATOM 1355 N ILE A 88 -11.800 13.123 0.844 1.00 0.00 N ATOM 1356 CA ILE A 88 -11.548 12.534 -0.470 1.00 0.00 C ATOM 1357 C ILE A 88 -11.110 11.077 -0.343 1.00 0.00 C ATOM 1358 O ILE A 88 -11.334 10.271 -1.246 1.00 0.00 O ATOM 1359 CB ILE A 88 -10.524 13.392 -1.248 1.00 0.00 C ATOM 1360 CG1 ILE A 88 -9.224 13.674 -0.460 1.00 0.00 C ATOM 1361 CG2 ILE A 88 -11.199 14.706 -1.671 1.00 0.00 C ATOM 1362 CD1 ILE A 88 -8.131 14.327 -1.315 1.00 0.00 C ATOM 0 H ILE A 88 -10.991 13.080 1.464 1.00 0.00 H new ATOM 0 HA ILE A 88 -12.476 12.530 -1.042 1.00 0.00 H new ATOM 0 HB ILE A 88 -10.215 12.820 -2.123 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -9.452 14.324 0.385 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.845 12.738 -0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -10.486 15.321 -2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -12.056 14.486 -2.308 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -11.534 15.245 -0.785 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.245 14.499 -0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.877 13.668 -2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.493 15.278 -1.704 1.00 0.00 H new ATOM 1374 N GLY A 89 -10.503 10.708 0.780 1.00 0.00 N ATOM 1375 CA GLY A 89 -9.981 9.374 0.993 1.00 0.00 C ATOM 1376 C GLY A 89 -9.486 9.235 2.418 1.00 0.00 C ATOM 1377 O GLY A 89 -9.660 10.133 3.244 1.00 0.00 O ATOM 0 H GLY A 89 -10.361 11.336 1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.757 8.635 0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.167 9.177 0.295 1.00 0.00 H new ATOM 1381 N TRP A 90 -8.872 8.094 2.704 1.00 0.00 N ATOM 1382 CA TRP A 90 -8.375 7.721 4.015 1.00 0.00 C ATOM 1383 C TRP A 90 -7.138 6.890 3.737 1.00 0.00 C ATOM 1384 O TRP A 90 -7.212 5.971 2.915 1.00 0.00 O ATOM 1385 CB TRP A 90 -9.447 6.897 4.740 1.00 0.00 C ATOM 1386 CG TRP A 90 -10.756 7.595 4.937 1.00 0.00 C ATOM 1387 CD1 TRP A 90 -11.105 8.368 5.986 1.00 0.00 C ATOM 1388 CD2 TRP A 90 -11.880 7.648 4.016 1.00 0.00 C ATOM 1389 NE1 TRP A 90 -12.333 8.963 5.740 1.00 0.00 N ATOM 1390 CE2 TRP A 90 -12.889 8.487 4.571 1.00 0.00 C ATOM 1391 CE3 TRP A 90 -12.118 7.097 2.740 1.00 0.00 C ATOM 1392 CZ2 TRP A 90 -14.100 8.732 3.904 1.00 0.00 C ATOM 1393 CZ3 TRP A 90 -13.307 7.381 2.048 1.00 0.00 C ATOM 1394 CH2 TRP A 90 -14.298 8.194 2.624 1.00 0.00 C ATOM 0 H TRP A 90 -8.702 7.377 1.999 1.00 0.00 H new ATOM 0 HA TRP A 90 -8.142 8.576 4.650 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.622 5.981 4.176 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -9.059 6.602 5.715 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -10.517 8.503 6.882 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -12.768 9.661 6.344 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -11.379 6.450 2.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -14.870 9.328 4.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -13.461 6.970 1.061 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -15.209 8.404 2.083 1.00 0.00 H new ATOM 1405 N ASP A 91 -5.980 7.261 4.276 1.00 0.00 N ATOM 1406 CA ASP A 91 -4.740 6.534 4.014 1.00 0.00 C ATOM 1407 C ASP A 91 -4.823 5.287 4.896 1.00 0.00 C ATOM 1408 O ASP A 91 -4.612 5.399 6.106 1.00 0.00 O ATOM 1409 CB ASP A 91 -3.519 7.430 4.318 1.00 0.00 C ATOM 1410 CG ASP A 91 -2.537 7.551 3.160 1.00 0.00 C ATOM 1411 OD1 ASP A 91 -2.198 6.495 2.597 1.00 0.00 O ATOM 1412 OD2 ASP A 91 -2.075 8.686 2.894 1.00 0.00 O ATOM 0 H ASP A 91 -5.874 8.062 4.898 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.617 6.246 2.970 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.870 8.426 4.589 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.994 7.030 5.186 1.00 0.00 H new ATOM 1417 N LYS A 92 -5.268 4.148 4.355 1.00 0.00 N ATOM 1418 CA LYS A 92 -5.324 2.900 5.131 1.00 0.00 C ATOM 1419 C LYS A 92 -3.956 2.227 5.026 1.00 0.00 C ATOM 1420 O LYS A 92 -3.599 1.733 3.953 1.00 0.00 O ATOM 1421 CB LYS A 92 -6.403 1.915 4.635 1.00 0.00 C ATOM 1422 CG LYS A 92 -7.847 2.126 5.110 1.00 0.00 C ATOM 1423 CD LYS A 92 -8.527 3.365 4.518 1.00 0.00 C ATOM 1424 CE LYS A 92 -10.059 3.219 4.583 1.00 0.00 C ATOM 1425 NZ LYS A 92 -10.648 2.475 3.445 1.00 0.00 N ATOM 0 H LYS A 92 -5.592 4.062 3.392 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.586 3.157 6.157 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.403 1.941 3.545 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.098 0.911 4.929 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -8.435 1.245 4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.852 2.207 6.197 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.217 4.255 5.066 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.212 3.501 3.484 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -10.325 2.712 5.510 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -10.506 4.212 4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -11.605 2.155 3.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -10.699 3.097 2.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -10.054 1.650 3.225 1.00 0.00 H new ATOM 1439 N TYR A 93 -3.227 2.184 6.139 1.00 0.00 N ATOM 1440 CA TYR A 93 -1.953 1.492 6.227 1.00 0.00 C ATOM 1441 C TYR A 93 -2.188 -0.012 6.238 1.00 0.00 C ATOM 1442 O TYR A 93 -3.209 -0.472 6.751 1.00 0.00 O ATOM 1443 CB TYR A 93 -1.251 1.856 7.534 1.00 0.00 C ATOM 1444 CG TYR A 93 -0.718 3.265 7.627 1.00 0.00 C ATOM 1445 CD1 TYR A 93 -1.593 4.339 7.862 1.00 0.00 C ATOM 1446 CD2 TYR A 93 0.670 3.488 7.570 1.00 0.00 C ATOM 1447 CE1 TYR A 93 -1.071 5.609 8.140 1.00 0.00 C ATOM 1448 CE2 TYR A 93 1.191 4.769 7.812 1.00 0.00 C ATOM 1449 CZ TYR A 93 0.325 5.830 8.143 1.00 0.00 C ATOM 1450 OH TYR A 93 0.837 7.030 8.528 1.00 0.00 O ATOM 0 H TYR A 93 -3.510 2.634 7.010 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.343 1.783 5.372 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.950 1.698 8.355 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.422 1.164 7.683 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.662 4.186 7.829 1.00 0.00 H new ATOM 0 HD2 TYR A 93 1.337 2.671 7.339 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -1.742 6.428 8.354 1.00 0.00 H new ATOM 0 HE2 TYR A 93 2.255 4.941 7.744 1.00 0.00 H new ATOM 0 HH TYR A 93 1.815 7.003 8.469 1.00 0.00 H new ATOM 1460 N PHE A 94 -1.199 -0.792 5.798 1.00 0.00 N ATOM 1461 CA PHE A 94 -1.249 -2.245 5.879 1.00 0.00 C ATOM 1462 C PHE A 94 0.089 -2.823 6.311 1.00 0.00 C ATOM 1463 O PHE A 94 1.140 -2.321 5.908 1.00 0.00 O ATOM 1464 CB PHE A 94 -1.710 -2.812 4.537 1.00 0.00 C ATOM 1465 CG PHE A 94 -3.178 -2.527 4.312 1.00 0.00 C ATOM 1466 CD1 PHE A 94 -4.141 -3.319 4.960 1.00 0.00 C ATOM 1467 CD2 PHE A 94 -3.588 -1.411 3.563 1.00 0.00 C ATOM 1468 CE1 PHE A 94 -5.513 -3.049 4.812 1.00 0.00 C ATOM 1469 CE2 PHE A 94 -4.958 -1.125 3.449 1.00 0.00 C ATOM 1470 CZ PHE A 94 -5.922 -1.944 4.055 1.00 0.00 C ATOM 0 H PHE A 94 -0.343 -0.430 5.377 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.970 -2.535 6.643 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -1.122 -2.374 3.730 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -1.535 -3.888 4.512 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -3.824 -4.145 5.579 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.857 -0.780 3.080 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -6.247 -3.690 5.279 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -5.275 -0.260 2.885 1.00 0.00 H new ATOM 0 HZ PHE A 94 -6.973 -1.724 3.939 1.00 0.00 H new ATOM 1480 N GLU A 95 0.024 -3.871 7.129 1.00 0.00 N ATOM 1481 CA GLU A 95 1.136 -4.503 7.830 1.00 0.00 C ATOM 1482 C GLU A 95 1.431 -5.870 7.205 1.00 0.00 C ATOM 1483 O GLU A 95 1.165 -6.909 7.805 1.00 0.00 O ATOM 1484 CB GLU A 95 0.727 -4.626 9.308 1.00 0.00 C ATOM 1485 CG GLU A 95 1.860 -5.126 10.209 1.00 0.00 C ATOM 1486 CD GLU A 95 1.552 -4.996 11.693 1.00 0.00 C ATOM 1487 OE1 GLU A 95 0.450 -5.384 12.139 1.00 0.00 O ATOM 1488 OE2 GLU A 95 2.463 -4.546 12.431 1.00 0.00 O ATOM 0 H GLU A 95 -0.864 -4.330 7.332 1.00 0.00 H new ATOM 0 HA GLU A 95 2.050 -3.914 7.751 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.389 -3.654 9.667 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.120 -5.308 9.388 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.064 -6.171 9.978 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.768 -4.567 9.983 1.00 0.00 H new ATOM 1495 N ILE A 96 1.930 -5.899 5.975 1.00 0.00 N ATOM 1496 CA ILE A 96 2.047 -7.153 5.232 1.00 0.00 C ATOM 1497 C ILE A 96 3.408 -7.792 5.578 1.00 0.00 C ATOM 1498 O ILE A 96 4.382 -7.056 5.757 1.00 0.00 O ATOM 1499 CB ILE A 96 1.821 -6.937 3.716 1.00 0.00 C ATOM 1500 CG1 ILE A 96 0.836 -5.785 3.405 1.00 0.00 C ATOM 1501 CG2 ILE A 96 1.228 -8.225 3.104 1.00 0.00 C ATOM 1502 CD1 ILE A 96 1.533 -4.448 3.135 1.00 0.00 C ATOM 0 H ILE A 96 2.259 -5.075 5.471 1.00 0.00 H new ATOM 0 HA ILE A 96 1.263 -7.850 5.527 1.00 0.00 H new ATOM 0 HB ILE A 96 2.792 -6.683 3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.234 -6.055 2.537 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.150 -5.666 4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.066 -8.079 2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 96 1.921 -9.053 3.257 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.278 -8.453 3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.785 -3.684 2.924 1.00 0.00 H new ATOM 0 HD12 ILE A 96 2.113 -4.156 4.011 1.00 0.00 H new ATOM 0 HD13 ILE A 96 2.198 -4.551 2.278 1.00 0.00 H new ATOM 1514 N PRO A 97 3.532 -9.128 5.659 1.00 0.00 N ATOM 1515 CA PRO A 97 4.825 -9.786 5.518 1.00 0.00 C ATOM 1516 C PRO A 97 5.327 -9.570 4.081 1.00 0.00 C ATOM 1517 O PRO A 97 4.540 -9.291 3.172 1.00 0.00 O ATOM 1518 CB PRO A 97 4.565 -11.268 5.798 1.00 0.00 C ATOM 1519 CG PRO A 97 3.116 -11.446 5.355 1.00 0.00 C ATOM 1520 CD PRO A 97 2.468 -10.114 5.721 1.00 0.00 C ATOM 0 HA PRO A 97 5.583 -9.396 6.197 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.242 -11.911 5.235 1.00 0.00 H new ATOM 0 HB3 PRO A 97 4.698 -11.510 6.852 1.00 0.00 H new ATOM 0 HG2 PRO A 97 3.044 -11.647 4.286 1.00 0.00 H new ATOM 0 HG3 PRO A 97 2.638 -12.280 5.869 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.664 -9.866 5.028 1.00 0.00 H new ATOM 0 HD3 PRO A 97 2.029 -10.153 6.718 1.00 0.00 H new ATOM 1528 N MET A 98 6.617 -9.775 3.840 1.00 0.00 N ATOM 1529 CA MET A 98 7.143 -9.909 2.483 1.00 0.00 C ATOM 1530 C MET A 98 7.097 -11.373 2.063 1.00 0.00 C ATOM 1531 O MET A 98 6.650 -11.679 0.955 1.00 0.00 O ATOM 1532 CB MET A 98 8.580 -9.387 2.377 1.00 0.00 C ATOM 1533 CG MET A 98 8.629 -7.867 2.514 1.00 0.00 C ATOM 1534 SD MET A 98 10.263 -7.169 2.208 1.00 0.00 S ATOM 1535 CE MET A 98 10.189 -5.773 3.344 1.00 0.00 C ATOM 0 H MET A 98 7.324 -9.853 4.571 1.00 0.00 H new ATOM 0 HA MET A 98 6.521 -9.308 1.820 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.194 -9.844 3.153 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.007 -9.682 1.418 1.00 0.00 H new ATOM 0 HG2 MET A 98 7.917 -7.424 1.817 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.307 -7.590 3.518 1.00 0.00 H new ATOM 0 HE1 MET A 98 11.123 -5.214 3.295 1.00 0.00 H new ATOM 0 HE2 MET A 98 9.361 -5.121 3.066 1.00 0.00 H new ATOM 0 HE3 MET A 98 10.038 -6.138 4.360 1.00 0.00 H new ATOM 1545 N ASP A 99 7.576 -12.287 2.915 1.00 0.00 N ATOM 1546 CA ASP A 99 7.943 -13.626 2.443 1.00 0.00 C ATOM 1547 C ASP A 99 6.726 -14.465 2.019 1.00 0.00 C ATOM 1548 O ASP A 99 6.839 -15.340 1.160 1.00 0.00 O ATOM 1549 CB ASP A 99 8.793 -14.371 3.491 1.00 0.00 C ATOM 1550 CG ASP A 99 9.607 -15.513 2.860 1.00 0.00 C ATOM 1551 OD1 ASP A 99 9.939 -15.419 1.652 1.00 0.00 O ATOM 1552 OD2 ASP A 99 9.935 -16.500 3.552 1.00 0.00 O ATOM 0 H ASP A 99 7.716 -12.129 3.913 1.00 0.00 H new ATOM 0 HA ASP A 99 8.548 -13.483 1.547 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.470 -13.668 3.977 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.142 -14.774 4.267 1.00 0.00 H new ATOM 1557 N ALA A 100 5.539 -14.161 2.549 1.00 0.00 N ATOM 1558 CA ALA A 100 4.276 -14.851 2.276 1.00 0.00 C ATOM 1559 C ALA A 100 3.565 -14.382 0.992 1.00 0.00 C ATOM 1560 O ALA A 100 2.395 -14.726 0.786 1.00 0.00 O ATOM 1561 CB ALA A 100 3.353 -14.633 3.480 1.00 0.00 C ATOM 0 H ALA A 100 5.427 -13.392 3.210 1.00 0.00 H new ATOM 0 HA ALA A 100 4.507 -15.904 2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.402 -15.137 3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.821 -15.041 4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.179 -13.566 3.616 1.00 0.00 H new ATOM 1567 N LEU A 101 4.200 -13.553 0.158 1.00 0.00 N ATOM 1568 CA LEU A 101 3.568 -12.934 -1.009 1.00 0.00 C ATOM 1569 C LEU A 101 3.800 -13.735 -2.283 1.00 0.00 C ATOM 1570 O LEU A 101 4.718 -14.546 -2.355 1.00 0.00 O ATOM 1571 CB LEU A 101 4.108 -11.516 -1.194 1.00 0.00 C ATOM 1572 CG LEU A 101 3.678 -10.563 -0.067 1.00 0.00 C ATOM 1573 CD1 LEU A 101 4.474 -9.274 -0.220 1.00 0.00 C ATOM 1574 CD2 LEU A 101 2.178 -10.248 -0.112 1.00 0.00 C ATOM 0 H LEU A 101 5.178 -13.290 0.276 1.00 0.00 H new ATOM 0 HA LEU A 101 2.494 -12.910 -0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.197 -11.550 -1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.761 -11.122 -2.149 1.00 0.00 H new ATOM 0 HG LEU A 101 3.873 -11.043 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.190 -8.576 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.539 -9.493 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.263 -8.829 -1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.924 -9.571 0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.934 -9.777 -1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.609 -11.172 -0.008 1.00 0.00 H new ATOM 1586 N GLN A 102 2.958 -13.503 -3.296 1.00 0.00 N ATOM 1587 CA GLN A 102 2.925 -14.347 -4.480 1.00 0.00 C ATOM 1588 C GLN A 102 4.102 -14.125 -5.428 1.00 0.00 C ATOM 1589 O GLN A 102 4.460 -15.027 -6.178 1.00 0.00 O ATOM 1590 CB GLN A 102 1.585 -14.170 -5.207 1.00 0.00 C ATOM 1591 CG GLN A 102 1.311 -15.436 -6.016 1.00 0.00 C ATOM 1592 CD GLN A 102 -0.116 -15.559 -6.542 1.00 0.00 C ATOM 1593 OE1 GLN A 102 -0.386 -15.247 -7.697 1.00 0.00 O ATOM 1594 NE2 GLN A 102 -1.047 -16.037 -5.737 1.00 0.00 N ATOM 0 H GLN A 102 2.290 -12.732 -3.313 1.00 0.00 H new ATOM 0 HA GLN A 102 3.023 -15.377 -4.137 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.783 -13.996 -4.489 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.620 -13.300 -5.863 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.999 -15.467 -6.861 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.531 -16.303 -5.394 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.810 -16.293 -4.778 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -2.003 -16.150 -6.074 1.00 0.00 H new ATOM 1603 N ASP A 103 4.712 -12.952 -5.392 1.00 0.00 N ATOM 1604 CA ASP A 103 5.935 -12.623 -6.118 1.00 0.00 C ATOM 1605 C ASP A 103 6.771 -11.657 -5.275 1.00 0.00 C ATOM 1606 O ASP A 103 6.328 -11.252 -4.199 1.00 0.00 O ATOM 1607 CB ASP A 103 5.568 -11.988 -7.468 1.00 0.00 C ATOM 1608 CG ASP A 103 6.716 -11.930 -8.473 1.00 0.00 C ATOM 1609 OD1 ASP A 103 7.776 -12.541 -8.231 1.00 0.00 O ATOM 1610 OD2 ASP A 103 6.527 -11.268 -9.523 1.00 0.00 O ATOM 0 H ASP A 103 4.359 -12.172 -4.837 1.00 0.00 H new ATOM 0 HA ASP A 103 6.519 -13.524 -6.304 1.00 0.00 H new ATOM 0 HB2 ASP A 103 4.745 -12.551 -7.908 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.204 -10.976 -7.292 1.00 0.00 H new ATOM 1615 N ASN A 104 7.916 -11.193 -5.775 1.00 0.00 N ATOM 1616 CA ASN A 104 8.693 -10.073 -5.261 1.00 0.00 C ATOM 1617 C ASN A 104 7.983 -8.739 -5.476 1.00 0.00 C ATOM 1618 O ASN A 104 8.563 -7.706 -5.164 1.00 0.00 O ATOM 1619 CB ASN A 104 10.067 -10.039 -5.961 1.00 0.00 C ATOM 1620 CG ASN A 104 11.145 -10.731 -5.152 1.00 0.00 C ATOM 1621 OD1 ASN A 104 11.076 -11.928 -4.889 1.00 0.00 O ATOM 1622 ND2 ASN A 104 12.153 -9.974 -4.780 1.00 0.00 N ATOM 0 H ASN A 104 8.348 -11.615 -6.597 1.00 0.00 H new ATOM 0 HA ASN A 104 8.815 -10.217 -4.187 1.00 0.00 H new ATOM 0 HB2 ASN A 104 9.986 -10.517 -6.937 1.00 0.00 H new ATOM 0 HB3 ASN A 104 10.357 -9.003 -6.136 1.00 0.00 H new ATOM 0 HD21 ASN A 104 12.924 -10.377 -4.248 1.00 0.00 H new ATOM 0 HD22 ASN A 104 12.164 -8.984 -5.023 1.00 0.00 H new ATOM 1629 N SER A 105 6.737 -8.711 -5.954 1.00 0.00 N ATOM 1630 CA SER A 105 6.056 -7.478 -6.307 1.00 0.00 C ATOM 1631 C SER A 105 4.820 -7.287 -5.448 1.00 0.00 C ATOM 1632 O SER A 105 3.966 -8.177 -5.360 1.00 0.00 O ATOM 1633 CB SER A 105 5.778 -7.414 -7.809 1.00 0.00 C ATOM 1634 OG SER A 105 5.113 -8.563 -8.310 1.00 0.00 O ATOM 0 H SER A 105 6.176 -9.549 -6.105 1.00 0.00 H new ATOM 0 HA SER A 105 6.710 -6.633 -6.092 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.173 -6.532 -8.022 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.722 -7.289 -8.340 1.00 0.00 H new ATOM 0 HG SER A 105 5.776 -9.220 -8.610 1.00 0.00 H new ATOM 1640 N ILE A 106 4.748 -6.141 -4.770 1.00 0.00 N ATOM 1641 CA ILE A 106 3.573 -5.802 -3.989 1.00 0.00 C ATOM 1642 C ILE A 106 2.454 -5.440 -4.962 1.00 0.00 C ATOM 1643 O ILE A 106 2.706 -4.971 -6.074 1.00 0.00 O ATOM 1644 CB ILE A 106 3.886 -4.714 -2.924 1.00 0.00 C ATOM 1645 CG1 ILE A 106 2.850 -4.735 -1.781 1.00 0.00 C ATOM 1646 CG2 ILE A 106 4.195 -3.316 -3.477 1.00 0.00 C ATOM 1647 CD1 ILE A 106 1.705 -3.731 -1.837 1.00 0.00 C ATOM 0 H ILE A 106 5.488 -5.440 -4.750 1.00 0.00 H new ATOM 0 HA ILE A 106 3.237 -6.653 -3.396 1.00 0.00 H new ATOM 0 HB ILE A 106 4.845 -4.996 -2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.417 -5.734 -1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.384 -4.581 -0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.399 -2.635 -2.651 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.067 -3.367 -4.129 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.339 -2.952 -4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.060 -3.866 -0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.109 -2.718 -1.835 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.126 -3.889 -2.747 1.00 0.00 H new ATOM 1659 N GLN A 107 1.207 -5.612 -4.537 1.00 0.00 N ATOM 1660 CA GLN A 107 0.006 -5.058 -5.139 1.00 0.00 C ATOM 1661 C GLN A 107 -1.097 -5.202 -4.091 1.00 0.00 C ATOM 1662 O GLN A 107 -1.062 -6.140 -3.285 1.00 0.00 O ATOM 1663 CB GLN A 107 -0.314 -5.876 -6.403 1.00 0.00 C ATOM 1664 CG GLN A 107 -1.619 -5.501 -7.105 1.00 0.00 C ATOM 1665 CD GLN A 107 -1.778 -6.232 -8.431 1.00 0.00 C ATOM 1666 OE1 GLN A 107 -1.379 -7.386 -8.575 1.00 0.00 O ATOM 1667 NE2 GLN A 107 -2.405 -5.589 -9.390 1.00 0.00 N ATOM 0 H GLN A 107 0.998 -6.176 -3.713 1.00 0.00 H new ATOM 0 HA GLN A 107 0.113 -4.013 -5.428 1.00 0.00 H new ATOM 0 HB2 GLN A 107 0.507 -5.759 -7.110 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.355 -6.931 -6.133 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -2.462 -5.738 -6.456 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.643 -4.425 -7.278 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.724 -4.632 -9.239 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.573 -6.047 -10.286 1.00 0.00 H new ATOM 1676 N ILE A 108 -2.094 -4.324 -4.141 1.00 0.00 N ATOM 1677 CA ILE A 108 -3.320 -4.407 -3.356 1.00 0.00 C ATOM 1678 C ILE A 108 -4.466 -4.354 -4.374 1.00 0.00 C ATOM 1679 O ILE A 108 -4.285 -3.950 -5.526 1.00 0.00 O ATOM 1680 CB ILE A 108 -3.355 -3.269 -2.298 1.00 0.00 C ATOM 1681 CG1 ILE A 108 -2.165 -3.355 -1.311 1.00 0.00 C ATOM 1682 CG2 ILE A 108 -4.675 -3.309 -1.501 1.00 0.00 C ATOM 1683 CD1 ILE A 108 -1.929 -2.094 -0.468 1.00 0.00 C ATOM 0 H ILE A 108 -2.069 -3.507 -4.751 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.399 -5.326 -2.775 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.280 -2.329 -2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -2.330 -4.197 -0.639 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.258 -3.571 -1.876 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -4.680 -2.505 -0.765 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -5.516 -3.183 -2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -4.763 -4.268 -0.991 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.075 -2.252 0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.728 -1.249 -1.126 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -2.816 -1.885 0.130 1.00 0.00 H new ATOM 1695 N LYS A 109 -5.657 -4.796 -3.992 1.00 0.00 N ATOM 1696 CA LYS A 109 -6.850 -4.690 -4.818 1.00 0.00 C ATOM 1697 C LYS A 109 -8.051 -4.494 -3.895 1.00 0.00 C ATOM 1698 O LYS A 109 -7.976 -4.920 -2.739 1.00 0.00 O ATOM 1699 CB LYS A 109 -6.935 -5.932 -5.727 1.00 0.00 C ATOM 1700 CG LYS A 109 -6.883 -7.288 -4.997 1.00 0.00 C ATOM 1701 CD LYS A 109 -5.938 -8.301 -5.658 1.00 0.00 C ATOM 1702 CE LYS A 109 -4.459 -7.874 -5.626 1.00 0.00 C ATOM 1703 NZ LYS A 109 -3.579 -8.993 -6.017 1.00 0.00 N ATOM 0 H LYS A 109 -5.822 -5.243 -3.090 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.825 -3.829 -5.486 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.862 -5.881 -6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -6.116 -5.893 -6.445 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -6.566 -7.126 -3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -7.887 -7.710 -4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -6.041 -9.263 -5.156 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -6.243 -8.448 -6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -4.305 -7.032 -6.301 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -4.197 -7.532 -4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.607 -8.796 -5.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.915 -9.871 -5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.594 -9.102 -7.051 1.00 0.00 H new ATOM 1717 N ALA A 110 -9.132 -3.836 -4.335 1.00 0.00 N ATOM 1718 CA ALA A 110 -10.312 -3.708 -3.484 1.00 0.00 C ATOM 1719 C ALA A 110 -11.572 -3.660 -4.326 1.00 0.00 C ATOM 1720 O ALA A 110 -11.535 -3.212 -5.469 1.00 0.00 O ATOM 1721 CB ALA A 110 -10.196 -2.446 -2.622 1.00 0.00 C ATOM 0 H ALA A 110 -9.210 -3.396 -5.252 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.372 -4.579 -2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.079 -2.355 -1.989 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.306 -2.513 -1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.120 -1.571 -3.267 1.00 0.00 H new ATOM 1727 N LEU A 111 -12.694 -4.069 -3.736 1.00 0.00 N ATOM 1728 CA LEU A 111 -14.004 -3.861 -4.336 1.00 0.00 C ATOM 1729 C LEU A 111 -14.257 -2.357 -4.352 1.00 0.00 C ATOM 1730 O LEU A 111 -13.986 -1.668 -3.358 1.00 0.00 O ATOM 1731 CB LEU A 111 -15.071 -4.574 -3.509 1.00 0.00 C ATOM 1732 CG LEU A 111 -16.413 -4.889 -4.196 1.00 0.00 C ATOM 1733 CD1 LEU A 111 -17.168 -3.763 -4.881 1.00 0.00 C ATOM 1734 CD2 LEU A 111 -16.324 -6.087 -5.133 1.00 0.00 C ATOM 0 H LEU A 111 -12.718 -4.549 -2.837 1.00 0.00 H new ATOM 0 HA LEU A 111 -14.042 -4.265 -5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -14.648 -5.513 -3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -15.279 -3.964 -2.630 1.00 0.00 H new ATOM 0 HG LEU A 111 -17.023 -5.114 -3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -18.090 -4.153 -5.313 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -17.408 -2.989 -4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -16.549 -3.337 -5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -17.297 -6.264 -5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -15.589 -5.886 -5.912 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -16.022 -6.969 -4.568 1.00 0.00 H new ATOM 1746 N SER A 112 -14.802 -1.869 -5.460 1.00 0.00 N ATOM 1747 CA SER A 112 -15.146 -0.484 -5.659 1.00 0.00 C ATOM 1748 C SER A 112 -16.601 -0.247 -5.254 1.00 0.00 C ATOM 1749 O SER A 112 -16.846 0.415 -4.243 1.00 0.00 O ATOM 1750 CB SER A 112 -14.736 -0.071 -7.079 1.00 0.00 C ATOM 1751 OG SER A 112 -15.784 0.049 -8.023 1.00 0.00 O ATOM 0 H SER A 112 -15.020 -2.454 -6.266 1.00 0.00 H new ATOM 0 HA SER A 112 -14.589 0.188 -5.006 1.00 0.00 H new ATOM 0 HB2 SER A 112 -14.216 0.885 -7.021 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.019 -0.801 -7.454 1.00 0.00 H new ATOM 0 HG SER A 112 -15.442 0.468 -8.840 1.00 0.00 H new ATOM 1757 N SER A 113 -17.550 -0.823 -5.997 1.00 0.00 N ATOM 1758 CA SER A 113 -18.979 -0.744 -5.752 1.00 0.00 C ATOM 1759 C SER A 113 -19.685 -1.886 -6.503 1.00 0.00 C ATOM 1760 O SER A 113 -20.182 -2.819 -5.872 1.00 0.00 O ATOM 1761 CB SER A 113 -19.490 0.646 -6.163 1.00 0.00 C ATOM 1762 OG SER A 113 -20.619 1.040 -5.401 1.00 0.00 O ATOM 0 H SER A 113 -17.325 -1.380 -6.821 1.00 0.00 H new ATOM 0 HA SER A 113 -19.200 -0.867 -4.692 1.00 0.00 H new ATOM 0 HB2 SER A 113 -18.693 1.378 -6.036 1.00 0.00 H new ATOM 0 HB3 SER A 113 -19.751 0.639 -7.221 1.00 0.00 H new ATOM 0 HG SER A 113 -20.914 1.929 -5.689 1.00 0.00 H new ATOM 1768 N GLY A 114 -19.688 -1.869 -7.837 1.00 0.00 N ATOM 1769 CA GLY A 114 -20.543 -2.704 -8.675 1.00 0.00 C ATOM 1770 C GLY A 114 -19.910 -4.035 -9.047 1.00 0.00 C ATOM 1771 O GLY A 114 -19.964 -4.430 -10.208 1.00 0.00 O ATOM 0 H GLY A 114 -19.078 -1.256 -8.377 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -21.481 -2.890 -8.152 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -20.789 -2.160 -9.587 1.00 0.00 H new ATOM 1775 N THR A 115 -19.284 -4.715 -8.090 1.00 0.00 N ATOM 1776 CA THR A 115 -18.489 -5.947 -8.242 1.00 0.00 C ATOM 1777 C THR A 115 -17.125 -5.718 -8.907 1.00 0.00 C ATOM 1778 O THR A 115 -16.284 -6.622 -8.877 1.00 0.00 O ATOM 1779 CB THR A 115 -19.261 -7.120 -8.892 1.00 0.00 C ATOM 1780 OG1 THR A 115 -19.355 -7.013 -10.295 1.00 0.00 O ATOM 1781 CG2 THR A 115 -20.673 -7.322 -8.344 1.00 0.00 C ATOM 0 H THR A 115 -19.316 -4.405 -7.119 1.00 0.00 H new ATOM 0 HA THR A 115 -18.285 -6.257 -7.217 1.00 0.00 H new ATOM 0 HB THR A 115 -18.654 -7.985 -8.625 1.00 0.00 H new ATOM 0 HG1 THR A 115 -19.347 -6.067 -10.552 1.00 0.00 H new ATOM 0 HG21 THR A 115 -21.144 -8.163 -8.853 1.00 0.00 H new ATOM 0 HG22 THR A 115 -20.622 -7.527 -7.275 1.00 0.00 H new ATOM 0 HG23 THR A 115 -21.261 -6.420 -8.513 1.00 0.00 H new ATOM 1789 N THR A 116 -16.900 -4.513 -9.439 1.00 0.00 N ATOM 1790 CA THR A 116 -15.633 -3.975 -9.872 1.00 0.00 C ATOM 1791 C THR A 116 -14.658 -4.178 -8.740 1.00 0.00 C ATOM 1792 O THR A 116 -14.956 -3.885 -7.576 1.00 0.00 O ATOM 1793 CB THR A 116 -15.767 -2.466 -10.108 1.00 0.00 C ATOM 1794 OG1 THR A 116 -16.672 -2.128 -11.145 1.00 0.00 O ATOM 1795 CG2 THR A 116 -14.428 -1.749 -10.336 1.00 0.00 C ATOM 0 H THR A 116 -17.662 -3.850 -9.583 1.00 0.00 H new ATOM 0 HA THR A 116 -15.307 -4.463 -10.790 1.00 0.00 H new ATOM 0 HB THR A 116 -16.182 -2.105 -9.167 1.00 0.00 H new ATOM 0 HG1 THR A 116 -16.711 -1.153 -11.241 1.00 0.00 H new ATOM 0 HG21 THR A 116 -14.607 -0.686 -10.495 1.00 0.00 H new ATOM 0 HG22 THR A 116 -13.790 -1.883 -9.462 1.00 0.00 H new ATOM 0 HG23 THR A 116 -13.935 -2.169 -11.213 1.00 0.00 H new ATOM 1803 N PHE A 117 -13.469 -4.585 -9.118 1.00 0.00 N ATOM 1804 CA PHE A 117 -12.358 -4.768 -8.237 1.00 0.00 C ATOM 1805 C PHE A 117 -11.244 -3.955 -8.876 1.00 0.00 C ATOM 1806 O PHE A 117 -10.821 -4.237 -9.998 1.00 0.00 O ATOM 1807 CB PHE A 117 -12.126 -6.272 -8.100 1.00 0.00 C ATOM 1808 CG PHE A 117 -12.049 -6.729 -6.660 1.00 0.00 C ATOM 1809 CD1 PHE A 117 -10.867 -6.558 -5.919 1.00 0.00 C ATOM 1810 CD2 PHE A 117 -13.184 -7.283 -6.046 1.00 0.00 C ATOM 1811 CE1 PHE A 117 -10.827 -6.930 -4.564 1.00 0.00 C ATOM 1812 CE2 PHE A 117 -13.143 -7.664 -4.693 1.00 0.00 C ATOM 1813 CZ PHE A 117 -11.970 -7.467 -3.948 1.00 0.00 C ATOM 0 H PHE A 117 -13.249 -4.805 -10.089 1.00 0.00 H new ATOM 0 HA PHE A 117 -12.475 -4.420 -7.211 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -12.933 -6.806 -8.602 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -11.201 -6.539 -8.610 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -9.990 -6.141 -6.391 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -14.092 -7.417 -6.615 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -9.917 -6.803 -3.996 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -14.012 -8.107 -4.229 1.00 0.00 H new ATOM 0 HZ PHE A 117 -11.946 -7.728 -2.900 1.00 0.00 H new ATOM 1823 N VAL A 118 -10.853 -2.863 -8.226 1.00 0.00 N ATOM 1824 CA VAL A 118 -9.640 -2.170 -8.619 1.00 0.00 C ATOM 1825 C VAL A 118 -8.503 -3.082 -8.246 1.00 0.00 C ATOM 1826 O VAL A 118 -8.451 -3.577 -7.121 1.00 0.00 O ATOM 1827 CB VAL A 118 -9.492 -0.797 -7.945 1.00 0.00 C ATOM 1828 CG1 VAL A 118 -9.800 -0.758 -6.460 1.00 0.00 C ATOM 1829 CG2 VAL A 118 -8.240 -0.040 -8.389 1.00 0.00 C ATOM 0 H VAL A 118 -11.351 -2.448 -7.439 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.658 -1.958 -9.688 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.317 -0.205 -8.342 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.664 0.257 -6.087 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -10.831 -1.071 -6.294 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -9.127 -1.432 -5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -8.195 0.921 -7.877 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -7.354 -0.625 -8.142 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -8.277 0.125 -9.466 1.00 0.00 H new ATOM 1839 N TYR A 119 -7.574 -3.238 -9.169 1.00 0.00 N ATOM 1840 CA TYR A 119 -6.265 -3.759 -8.878 1.00 0.00 C ATOM 1841 C TYR A 119 -5.367 -2.539 -8.967 1.00 0.00 C ATOM 1842 O TYR A 119 -5.437 -1.777 -9.938 1.00 0.00 O ATOM 1843 CB TYR A 119 -5.919 -4.891 -9.862 1.00 0.00 C ATOM 1844 CG TYR A 119 -7.001 -5.957 -9.986 1.00 0.00 C ATOM 1845 CD1 TYR A 119 -8.105 -5.725 -10.823 1.00 0.00 C ATOM 1846 CD2 TYR A 119 -6.951 -7.142 -9.232 1.00 0.00 C ATOM 1847 CE1 TYR A 119 -9.175 -6.628 -10.886 1.00 0.00 C ATOM 1848 CE2 TYR A 119 -8.027 -8.051 -9.272 1.00 0.00 C ATOM 1849 CZ TYR A 119 -9.153 -7.788 -10.088 1.00 0.00 C ATOM 1850 OH TYR A 119 -10.236 -8.618 -10.080 1.00 0.00 O ATOM 0 H TYR A 119 -7.715 -3.002 -10.151 1.00 0.00 H new ATOM 0 HA TYR A 119 -6.163 -4.227 -7.899 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -5.734 -4.459 -10.846 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -4.991 -5.365 -9.542 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -8.130 -4.832 -11.430 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -6.087 -7.356 -8.621 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -10.011 -6.435 -11.542 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -7.992 -8.952 -8.678 1.00 0.00 H new ATOM 0 HH TYR A 119 -10.064 -9.374 -9.481 1.00 0.00 H new ATOM 1860 N SER A 120 -4.587 -2.298 -7.915 1.00 0.00 N ATOM 1861 CA SER A 120 -3.562 -1.273 -7.932 1.00 0.00 C ATOM 1862 C SER A 120 -2.553 -1.637 -9.029 1.00 0.00 C ATOM 1863 O SER A 120 -2.617 -2.729 -9.604 1.00 0.00 O ATOM 1864 CB SER A 120 -2.932 -1.240 -6.534 1.00 0.00 C ATOM 1865 OG SER A 120 -1.911 -2.183 -6.269 1.00 0.00 O ATOM 0 H SER A 120 -4.652 -2.808 -7.034 1.00 0.00 H new ATOM 0 HA SER A 120 -3.951 -0.280 -8.156 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.524 -0.243 -6.370 1.00 0.00 H new ATOM 0 HB3 SER A 120 -3.726 -1.384 -5.801 1.00 0.00 H new ATOM 0 HG SER A 120 -1.212 -2.109 -6.952 1.00 0.00 H new ATOM 1871 N GLN A 121 -1.554 -0.791 -9.266 1.00 0.00 N ATOM 1872 CA GLN A 121 -0.408 -1.231 -10.047 1.00 0.00 C ATOM 1873 C GLN A 121 0.304 -2.378 -9.320 1.00 0.00 C ATOM 1874 O GLN A 121 0.042 -2.616 -8.136 1.00 0.00 O ATOM 1875 CB GLN A 121 0.533 -0.051 -10.297 1.00 0.00 C ATOM 1876 CG GLN A 121 1.308 0.464 -9.075 1.00 0.00 C ATOM 1877 CD GLN A 121 0.617 1.574 -8.291 1.00 0.00 C ATOM 1878 OE1 GLN A 121 -0.473 1.405 -7.739 1.00 0.00 O ATOM 1879 NE2 GLN A 121 1.270 2.719 -8.204 1.00 0.00 N ATOM 0 H GLN A 121 -1.515 0.174 -8.939 1.00 0.00 H new ATOM 0 HA GLN A 121 -0.742 -1.603 -11.016 1.00 0.00 H new ATOM 0 HB2 GLN A 121 1.253 -0.342 -11.062 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -0.051 0.774 -10.706 1.00 0.00 H new ATOM 0 HG2 GLN A 121 1.493 -0.373 -8.402 1.00 0.00 H new ATOM 0 HG3 GLN A 121 2.281 0.827 -9.408 1.00 0.00 H new ATOM 0 HE21 GLN A 121 2.170 2.830 -8.671 1.00 0.00 H new ATOM 0 HE22 GLN A 121 0.874 3.492 -7.670 1.00 0.00 H new ATOM 1888 N LYS A 122 1.260 -3.034 -9.976 1.00 0.00 N ATOM 1889 CA LYS A 122 2.158 -3.994 -9.350 1.00 0.00 C ATOM 1890 C LYS A 122 3.559 -3.388 -9.309 1.00 0.00 C ATOM 1891 O LYS A 122 3.969 -2.795 -10.307 1.00 0.00 O ATOM 1892 CB LYS A 122 2.056 -5.301 -10.134 1.00 0.00 C ATOM 1893 CG LYS A 122 2.711 -6.448 -9.367 1.00 0.00 C ATOM 1894 CD LYS A 122 2.161 -7.806 -9.792 1.00 0.00 C ATOM 1895 CE LYS A 122 2.807 -8.263 -11.098 1.00 0.00 C ATOM 1896 NZ LYS A 122 2.221 -9.527 -11.564 1.00 0.00 N ATOM 0 H LYS A 122 1.432 -2.909 -10.974 1.00 0.00 H new ATOM 0 HA LYS A 122 1.894 -4.220 -8.317 1.00 0.00 H new ATOM 0 HB2 LYS A 122 1.008 -5.536 -10.323 1.00 0.00 H new ATOM 0 HB3 LYS A 122 2.537 -5.186 -11.105 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.788 -6.426 -9.531 1.00 0.00 H new ATOM 0 HG3 LYS A 122 2.548 -6.309 -8.298 1.00 0.00 H new ATOM 0 HD2 LYS A 122 2.349 -8.542 -9.010 1.00 0.00 H new ATOM 0 HD3 LYS A 122 1.080 -7.744 -9.917 1.00 0.00 H new ATOM 0 HE2 LYS A 122 2.676 -7.495 -11.860 1.00 0.00 H new ATOM 0 HE3 LYS A 122 3.880 -8.388 -10.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 2.678 -9.815 -12.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 2.368 -10.264 -10.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 1.202 -9.399 -11.725 1.00 0.00 H new ATOM 1910 N ILE A 123 4.255 -3.483 -8.173 1.00 0.00 N ATOM 1911 CA ILE A 123 5.534 -2.829 -7.910 1.00 0.00 C ATOM 1912 C ILE A 123 6.509 -3.899 -7.460 1.00 0.00 C ATOM 1913 O ILE A 123 6.408 -4.378 -6.330 1.00 0.00 O ATOM 1914 CB ILE A 123 5.388 -1.693 -6.857 1.00 0.00 C ATOM 1915 CG1 ILE A 123 4.443 -0.550 -7.263 1.00 0.00 C ATOM 1916 CG2 ILE A 123 6.732 -1.066 -6.448 1.00 0.00 C ATOM 1917 CD1 ILE A 123 4.831 0.177 -8.546 1.00 0.00 C ATOM 0 H ILE A 123 3.928 -4.039 -7.383 1.00 0.00 H new ATOM 0 HA ILE A 123 5.906 -2.347 -8.814 1.00 0.00 H new ATOM 0 HB ILE A 123 4.946 -2.220 -6.011 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.437 -0.954 -7.381 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.402 0.175 -6.450 1.00 0.00 H new ATOM 0 HG21 ILE A 123 6.558 -0.281 -5.712 1.00 0.00 H new ATOM 0 HG22 ILE A 123 7.375 -1.833 -6.016 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.216 -0.639 -7.326 1.00 0.00 H new ATOM 0 HD11 ILE A 123 4.107 0.965 -8.751 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.822 0.616 -8.430 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.842 -0.530 -9.376 1.00 0.00 H new ATOM 1929 N ASP A 124 7.413 -4.297 -8.353 1.00 0.00 N ATOM 1930 CA ASP A 124 8.500 -5.224 -8.040 1.00 0.00 C ATOM 1931 C ASP A 124 9.454 -4.584 -7.041 1.00 0.00 C ATOM 1932 O ASP A 124 9.746 -3.389 -7.134 1.00 0.00 O ATOM 1933 CB ASP A 124 9.238 -5.654 -9.315 1.00 0.00 C ATOM 1934 CG ASP A 124 9.140 -7.165 -9.466 1.00 0.00 C ATOM 1935 OD1 ASP A 124 9.776 -7.870 -8.652 1.00 0.00 O ATOM 1936 OD2 ASP A 124 8.373 -7.611 -10.351 1.00 0.00 O ATOM 0 H ASP A 124 7.412 -3.982 -9.323 1.00 0.00 H new ATOM 0 HA ASP A 124 8.077 -6.122 -7.589 1.00 0.00 H new ATOM 0 HB2 ASP A 124 8.803 -5.161 -10.185 1.00 0.00 H new ATOM 0 HB3 ASP A 124 10.283 -5.349 -9.265 1.00 0.00 H new ATOM 1941 N PHE A 125 9.930 -5.351 -6.065 1.00 0.00 N ATOM 1942 CA PHE A 125 10.879 -4.902 -5.064 1.00 0.00 C ATOM 1943 C PHE A 125 11.862 -6.026 -4.744 1.00 0.00 C ATOM 1944 O PHE A 125 11.761 -7.147 -5.243 1.00 0.00 O ATOM 1945 CB PHE A 125 10.144 -4.393 -3.810 1.00 0.00 C ATOM 1946 CG PHE A 125 9.340 -5.404 -3.011 1.00 0.00 C ATOM 1947 CD1 PHE A 125 9.966 -6.231 -2.060 1.00 0.00 C ATOM 1948 CD2 PHE A 125 7.947 -5.492 -3.177 1.00 0.00 C ATOM 1949 CE1 PHE A 125 9.214 -7.109 -1.268 1.00 0.00 C ATOM 1950 CE2 PHE A 125 7.201 -6.385 -2.388 1.00 0.00 C ATOM 1951 CZ PHE A 125 7.827 -7.161 -1.407 1.00 0.00 C ATOM 0 H PHE A 125 9.656 -6.327 -5.950 1.00 0.00 H new ATOM 0 HA PHE A 125 11.452 -4.062 -5.456 1.00 0.00 H new ATOM 0 HB2 PHE A 125 10.883 -3.949 -3.144 1.00 0.00 H new ATOM 0 HB3 PHE A 125 9.470 -3.593 -4.116 1.00 0.00 H new ATOM 0 HD1 PHE A 125 11.038 -6.189 -1.939 1.00 0.00 H new ATOM 0 HD2 PHE A 125 7.450 -4.874 -3.910 1.00 0.00 H new ATOM 0 HE1 PHE A 125 9.709 -7.746 -0.550 1.00 0.00 H new ATOM 0 HE2 PHE A 125 6.135 -6.473 -2.541 1.00 0.00 H new ATOM 0 HZ PHE A 125 7.240 -7.797 -0.761 1.00 0.00 H new ATOM 1961 N GLU A 126 12.824 -5.725 -3.878 1.00 0.00 N ATOM 1962 CA GLU A 126 13.853 -6.656 -3.448 1.00 0.00 C ATOM 1963 C GLU A 126 13.829 -6.689 -1.921 1.00 0.00 C ATOM 1964 O GLU A 126 13.320 -5.752 -1.293 1.00 0.00 O ATOM 1965 CB GLU A 126 15.186 -6.158 -4.016 1.00 0.00 C ATOM 1966 CG GLU A 126 15.248 -6.319 -5.538 1.00 0.00 C ATOM 1967 CD GLU A 126 16.379 -5.542 -6.201 1.00 0.00 C ATOM 1968 OE1 GLU A 126 17.562 -5.763 -5.861 1.00 0.00 O ATOM 1969 OE2 GLU A 126 16.091 -4.753 -7.138 1.00 0.00 O ATOM 0 H GLU A 126 12.909 -4.804 -3.447 1.00 0.00 H new ATOM 0 HA GLU A 126 13.696 -7.673 -3.807 1.00 0.00 H new ATOM 0 HB2 GLU A 126 15.324 -5.109 -3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 126 16.006 -6.711 -3.558 1.00 0.00 H new ATOM 0 HG2 GLU A 126 15.360 -7.377 -5.776 1.00 0.00 H new ATOM 0 HG3 GLU A 126 14.299 -5.995 -5.966 1.00 0.00 H new ATOM 1976 N ARG A 127 14.374 -7.755 -1.335 1.00 0.00 N ATOM 1977 CA ARG A 127 14.310 -8.033 0.099 1.00 0.00 C ATOM 1978 C ARG A 127 15.734 -8.093 0.611 1.00 0.00 C ATOM 1979 O ARG A 127 16.295 -9.186 0.710 1.00 0.00 O ATOM 1980 CB ARG A 127 13.518 -9.312 0.399 1.00 0.00 C ATOM 1981 CG ARG A 127 12.031 -9.131 0.060 1.00 0.00 C ATOM 1982 CD ARG A 127 11.645 -9.888 -1.205 1.00 0.00 C ATOM 1983 NE ARG A 127 11.690 -11.327 -0.927 1.00 0.00 N ATOM 1984 CZ ARG A 127 10.853 -12.269 -1.380 1.00 0.00 C ATOM 1985 NH1 ARG A 127 9.781 -11.967 -2.091 1.00 0.00 N ATOM 1986 NH2 ARG A 127 11.065 -13.542 -1.105 1.00 0.00 N ATOM 0 H ARG A 127 14.885 -8.467 -1.858 1.00 0.00 H new ATOM 0 HA ARG A 127 13.768 -7.242 0.617 1.00 0.00 H new ATOM 0 HB2 ARG A 127 13.928 -10.141 -0.178 1.00 0.00 H new ATOM 0 HB3 ARG A 127 13.626 -9.572 1.452 1.00 0.00 H new ATOM 0 HG2 ARG A 127 11.422 -9.481 0.894 1.00 0.00 H new ATOM 0 HG3 ARG A 127 11.814 -8.071 -0.070 1.00 0.00 H new ATOM 0 HD2 ARG A 127 10.646 -9.597 -1.529 1.00 0.00 H new ATOM 0 HD3 ARG A 127 12.328 -9.639 -2.017 1.00 0.00 H new ATOM 0 HE ARG A 127 12.444 -11.647 -0.320 1.00 0.00 H new ATOM 0 HH11 ARG A 127 9.572 -10.993 -2.309 1.00 0.00 H new ATOM 0 HH12 ARG A 127 9.163 -12.708 -2.422 1.00 0.00 H new ATOM 0 HH21 ARG A 127 11.871 -13.815 -0.543 1.00 0.00 H new ATOM 0 HH22 ARG A 127 10.422 -14.253 -1.454 1.00 0.00 H new ATOM 2000 N GLU A 128 16.276 -6.919 0.913 1.00 0.00 N ATOM 2001 CA GLU A 128 17.690 -6.646 1.178 1.00 0.00 C ATOM 2002 C GLU A 128 18.626 -7.180 0.084 1.00 0.00 C ATOM 2003 O GLU A 128 19.831 -6.854 0.155 1.00 0.00 O ATOM 2004 CB GLU A 128 18.080 -6.889 2.655 1.00 0.00 C ATOM 2005 CG GLU A 128 17.496 -8.136 3.313 1.00 0.00 C ATOM 2006 CD GLU A 128 17.736 -8.217 4.829 1.00 0.00 C ATOM 2007 OE1 GLU A 128 17.422 -7.233 5.547 1.00 0.00 O ATOM 2008 OE2 GLU A 128 18.106 -9.305 5.330 1.00 0.00 O ATOM 0 H GLU A 128 15.706 -6.076 0.985 1.00 0.00 H new ATOM 0 HA GLU A 128 17.852 -5.572 1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 128 19.167 -6.947 2.717 1.00 0.00 H new ATOM 0 HB3 GLU A 128 17.774 -6.020 3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 128 16.423 -8.165 3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 128 17.927 -9.019 2.840 1.00 0.00 H new