USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 871 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 13 SER OG : rot 41:sc= 0.917 USER MOD Set 1.2: A 66 GLN : amide:sc= 0.644 K(o=1.6,f=-12!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -143:sc= 0.493 (180deg=0.041) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.0224 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -87:sc= -0.552 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.117) USER MOD Single : A 43 HIS : no HD1:sc= -1.61 X(o=-1.6,f=-1.8) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 145:sc=-0.000814 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 170:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.157 USER MOD Single : A 72 ASN : amide:sc= 0.0324 K(o=0.032,f=-0.76) USER MOD Single : A 76 SER OG : rot -46:sc= 0.411 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.196 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0489 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ -122:sc= 0.496 (180deg=-0.186) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 MET CE :methyl 165:sc= -2.33 (180deg=-3.5!) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 2 3.897 0.812 -2.911 1.00 0.00 N ATOM 19 CA LEU A 2 5.182 0.458 -2.318 1.00 0.00 C ATOM 20 C LEU A 2 5.955 1.708 -1.908 1.00 0.00 C ATOM 21 O LEU A 2 5.457 2.827 -2.033 1.00 0.00 O ATOM 22 CB LEU A 2 6.011 -0.368 -3.303 1.00 0.00 C ATOM 23 CG LEU A 2 6.261 -1.825 -2.914 1.00 0.00 C ATOM 24 CD1 LEU A 2 6.913 -2.580 -4.061 1.00 0.00 C ATOM 25 CD2 LEU A 2 7.124 -1.902 -1.663 1.00 0.00 C ATOM 0 HA LEU A 2 4.991 -0.138 -1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.510 -0.352 -4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.975 0.122 -3.435 1.00 0.00 H new ATOM 0 HG LEU A 2 5.301 -2.293 -2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.083 -3.615 -3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 2 6.258 -2.554 -4.932 1.00 0.00 H new ATOM 0 HD13 LEU A 2 7.866 -2.112 -4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 2 7.292 -2.947 -1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 2 8.082 -1.417 -1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.617 -1.398 -0.840 1.00 0.00 H new ATOM 37 N LEU A 3 7.174 1.509 -1.420 1.00 0.00 N ATOM 38 CA LEU A 3 8.018 2.620 -0.994 1.00 0.00 C ATOM 39 C LEU A 3 9.191 2.811 -1.950 1.00 0.00 C ATOM 40 O LEU A 3 9.648 3.933 -2.171 1.00 0.00 O ATOM 41 CB LEU A 3 8.536 2.377 0.425 1.00 0.00 C ATOM 42 CG LEU A 3 7.472 2.225 1.511 1.00 0.00 C ATOM 43 CD1 LEU A 3 6.384 3.275 1.343 1.00 0.00 C ATOM 44 CD2 LEU A 3 6.874 0.826 1.481 1.00 0.00 C ATOM 0 H LEU A 3 7.600 0.589 -1.309 1.00 0.00 H new ATOM 0 HA LEU A 3 7.414 3.527 -1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.149 1.476 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.190 3.205 0.698 1.00 0.00 H new ATOM 0 HG LEU A 3 7.947 2.375 2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.635 3.151 2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.824 4.270 1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.912 3.157 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.118 0.737 2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.415 0.647 0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.660 0.091 1.651 1.00 0.00 H new ATOM 56 N ILE A 4 9.672 1.709 -2.516 1.00 0.00 N ATOM 57 CA ILE A 4 10.789 1.756 -3.451 1.00 0.00 C ATOM 58 C ILE A 4 10.412 2.513 -4.720 1.00 0.00 C ATOM 59 O ILE A 4 9.234 2.751 -4.988 1.00 0.00 O ATOM 60 CB ILE A 4 11.265 0.342 -3.832 1.00 0.00 C ATOM 61 CG1 ILE A 4 10.118 -0.454 -4.458 1.00 0.00 C ATOM 62 CG2 ILE A 4 11.812 -0.380 -2.609 1.00 0.00 C ATOM 63 CD1 ILE A 4 10.583 -1.593 -5.338 1.00 0.00 C ATOM 0 H ILE A 4 9.306 0.773 -2.343 1.00 0.00 H new ATOM 0 HA ILE A 4 11.601 2.279 -2.946 1.00 0.00 H new ATOM 0 HB ILE A 4 12.065 0.429 -4.567 1.00 0.00 H new ATOM 0 HG12 ILE A 4 9.488 -0.853 -3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.498 0.221 -5.048 1.00 0.00 H new ATOM 0 HG21 ILE A 4 12.144 -1.378 -2.894 1.00 0.00 H new ATOM 0 HG22 ILE A 4 12.654 0.180 -2.202 1.00 0.00 H new ATOM 0 HG23 ILE A 4 11.030 -0.460 -1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.717 -2.113 -5.748 1.00 0.00 H new ATOM 0 HD12 ILE A 4 11.189 -1.199 -6.154 1.00 0.00 H new ATOM 0 HD13 ILE A 4 11.178 -2.289 -4.748 1.00 0.00 H new ATOM 75 N THR A 5 11.421 2.887 -5.501 1.00 0.00 N ATOM 76 CA THR A 5 11.196 3.616 -6.743 1.00 0.00 C ATOM 77 C THR A 5 11.627 2.791 -7.950 1.00 0.00 C ATOM 78 O THR A 5 12.408 1.845 -7.840 1.00 0.00 O ATOM 79 CB THR A 5 11.955 4.956 -6.754 1.00 0.00 C ATOM 80 OG1 THR A 5 13.161 4.842 -5.990 1.00 0.00 O ATOM 81 CG2 THR A 5 11.092 6.071 -6.184 1.00 0.00 C ATOM 0 H THR A 5 12.402 2.697 -5.295 1.00 0.00 H new ATOM 0 HA THR A 5 10.126 3.813 -6.804 1.00 0.00 H new ATOM 0 HB THR A 5 12.201 5.200 -7.787 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.639 5.698 -6.003 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.649 7.008 -6.202 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.188 6.175 -6.784 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.819 5.831 -5.156 1.00 0.00 H new ATOM 89 N PRO A 6 11.108 3.155 -9.133 1.00 0.00 N ATOM 90 CA PRO A 6 11.427 2.461 -10.384 1.00 0.00 C ATOM 91 C PRO A 6 12.866 2.702 -10.830 1.00 0.00 C ATOM 92 O PRO A 6 13.482 1.843 -11.461 1.00 0.00 O ATOM 93 CB PRO A 6 10.447 3.072 -11.388 1.00 0.00 C ATOM 94 CG PRO A 6 10.127 4.418 -10.835 1.00 0.00 C ATOM 95 CD PRO A 6 10.171 4.271 -9.339 1.00 0.00 C ATOM 0 HA PRO A 6 11.338 1.379 -10.284 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.892 3.147 -12.380 1.00 0.00 H new ATOM 0 HB3 PRO A 6 9.550 2.461 -11.487 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.848 5.161 -11.176 1.00 0.00 H new ATOM 0 HG3 PRO A 6 9.144 4.752 -11.166 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.520 5.183 -8.856 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.186 4.050 -8.928 1.00 0.00 H new ATOM 103 N ASP A 7 13.394 3.875 -10.498 1.00 0.00 N ATOM 104 CA ASP A 7 14.761 4.228 -10.863 1.00 0.00 C ATOM 105 C ASP A 7 15.765 3.346 -10.128 1.00 0.00 C ATOM 106 O ASP A 7 16.844 3.055 -10.643 1.00 0.00 O ATOM 107 CB ASP A 7 15.031 5.700 -10.550 1.00 0.00 C ATOM 108 CG ASP A 7 16.173 6.267 -11.370 1.00 0.00 C ATOM 109 OD1 ASP A 7 17.020 6.983 -10.795 1.00 0.00 O ATOM 110 OD2 ASP A 7 16.222 5.993 -12.588 1.00 0.00 O ATOM 0 H ASP A 7 12.896 4.597 -9.977 1.00 0.00 H new ATOM 0 HA ASP A 7 14.878 4.065 -11.934 1.00 0.00 H new ATOM 0 HB2 ASP A 7 14.128 6.280 -10.740 1.00 0.00 H new ATOM 0 HB3 ASP A 7 15.261 5.807 -9.490 1.00 0.00 H new ATOM 115 N GLU A 8 15.403 2.926 -8.920 1.00 0.00 N ATOM 116 CA GLU A 8 16.273 2.079 -8.113 1.00 0.00 C ATOM 117 C GLU A 8 16.260 0.641 -8.625 1.00 0.00 C ATOM 118 O GLU A 8 17.283 -0.046 -8.607 1.00 0.00 O ATOM 119 CB GLU A 8 15.839 2.114 -6.646 1.00 0.00 C ATOM 120 CG GLU A 8 16.906 2.653 -5.709 1.00 0.00 C ATOM 121 CD GLU A 8 18.184 1.838 -5.748 1.00 0.00 C ATOM 122 OE1 GLU A 8 19.266 2.439 -5.911 1.00 0.00 O ATOM 123 OE2 GLU A 8 18.102 0.599 -5.617 1.00 0.00 O ATOM 0 H GLU A 8 14.513 3.159 -8.479 1.00 0.00 H new ATOM 0 HA GLU A 8 17.289 2.466 -8.193 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.943 2.729 -6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.567 1.106 -6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 8 17.130 3.686 -5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.518 2.664 -4.691 1.00 0.00 H new ATOM 130 N LEU A 9 15.096 0.192 -9.080 1.00 0.00 N ATOM 131 CA LEU A 9 14.948 -1.164 -9.596 1.00 0.00 C ATOM 132 C LEU A 9 15.963 -1.440 -10.701 1.00 0.00 C ATOM 133 O LEU A 9 16.662 -2.454 -10.677 1.00 0.00 O ATOM 134 CB LEU A 9 13.529 -1.377 -10.128 1.00 0.00 C ATOM 135 CG LEU A 9 13.344 -2.544 -11.098 1.00 0.00 C ATOM 136 CD1 LEU A 9 13.689 -3.861 -10.420 1.00 0.00 C ATOM 137 CD2 LEU A 9 11.919 -2.574 -11.630 1.00 0.00 C ATOM 0 H LEU A 9 14.241 0.747 -9.102 1.00 0.00 H new ATOM 0 HA LEU A 9 15.131 -1.859 -8.777 1.00 0.00 H new ATOM 0 HB2 LEU A 9 12.863 -1.528 -9.279 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.208 -0.462 -10.626 1.00 0.00 H new ATOM 0 HG LEU A 9 14.022 -2.403 -11.940 1.00 0.00 H new ATOM 0 HD11 LEU A 9 13.551 -4.680 -11.126 1.00 0.00 H new ATOM 0 HD12 LEU A 9 14.727 -3.838 -10.088 1.00 0.00 H new ATOM 0 HD13 LEU A 9 13.036 -4.009 -9.560 1.00 0.00 H new ATOM 0 HD21 LEU A 9 11.805 -3.411 -12.319 1.00 0.00 H new ATOM 0 HD22 LEU A 9 11.223 -2.691 -10.799 1.00 0.00 H new ATOM 0 HD23 LEU A 9 11.706 -1.642 -12.153 1.00 0.00 H new ATOM 149 N LYS A 10 16.041 -0.531 -11.666 1.00 0.00 N ATOM 150 CA LYS A 10 16.974 -0.673 -12.778 1.00 0.00 C ATOM 151 C LYS A 10 18.411 -0.458 -12.314 1.00 0.00 C ATOM 152 O LYS A 10 19.347 -1.018 -12.884 1.00 0.00 O ATOM 153 CB LYS A 10 16.631 0.323 -13.889 1.00 0.00 C ATOM 154 CG LYS A 10 16.885 1.771 -13.507 1.00 0.00 C ATOM 155 CD LYS A 10 16.495 2.719 -14.628 1.00 0.00 C ATOM 156 CE LYS A 10 14.999 2.993 -14.632 1.00 0.00 C ATOM 157 NZ LYS A 10 14.521 3.439 -15.970 1.00 0.00 N ATOM 0 H LYS A 10 15.469 0.313 -11.701 1.00 0.00 H new ATOM 0 HA LYS A 10 16.885 -1.687 -13.167 1.00 0.00 H new ATOM 0 HB2 LYS A 10 17.217 0.082 -14.776 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.582 0.206 -14.159 1.00 0.00 H new ATOM 0 HG2 LYS A 10 16.319 2.016 -12.608 1.00 0.00 H new ATOM 0 HG3 LYS A 10 17.939 1.905 -13.266 1.00 0.00 H new ATOM 0 HD2 LYS A 10 17.037 3.658 -14.517 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.790 2.292 -15.586 1.00 0.00 H new ATOM 0 HE2 LYS A 10 14.464 2.090 -14.337 1.00 0.00 H new ATOM 0 HE3 LYS A 10 14.768 3.757 -13.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 13.783 4.162 -15.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.316 3.840 -16.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 14.129 2.626 -16.487 1.00 0.00 H new ATOM 171 N SER A 11 18.577 0.355 -11.276 1.00 0.00 N ATOM 172 CA SER A 11 19.901 0.646 -10.737 1.00 0.00 C ATOM 173 C SER A 11 20.539 -0.613 -10.158 1.00 0.00 C ATOM 174 O SER A 11 21.744 -0.828 -10.290 1.00 0.00 O ATOM 175 CB SER A 11 19.810 1.728 -9.660 1.00 0.00 C ATOM 176 OG SER A 11 21.095 2.222 -9.323 1.00 0.00 O ATOM 0 H SER A 11 17.812 0.824 -10.791 1.00 0.00 H new ATOM 0 HA SER A 11 20.527 1.008 -11.552 1.00 0.00 H new ATOM 0 HB2 SER A 11 19.184 2.547 -10.015 1.00 0.00 H new ATOM 0 HB3 SER A 11 19.329 1.321 -8.771 1.00 0.00 H new ATOM 0 HG SER A 11 21.009 2.913 -8.634 1.00 0.00 H new ATOM 182 N TYR A 12 19.723 -1.440 -9.515 1.00 0.00 N ATOM 183 CA TYR A 12 20.207 -2.676 -8.912 1.00 0.00 C ATOM 184 C TYR A 12 20.097 -3.840 -9.893 1.00 0.00 C ATOM 185 O TYR A 12 21.052 -4.590 -10.093 1.00 0.00 O ATOM 186 CB TYR A 12 19.418 -2.991 -7.640 1.00 0.00 C ATOM 187 CG TYR A 12 19.741 -4.343 -7.046 1.00 0.00 C ATOM 188 CD1 TYR A 12 20.897 -4.539 -6.301 1.00 0.00 C ATOM 189 CD2 TYR A 12 18.890 -5.426 -7.231 1.00 0.00 C ATOM 190 CE1 TYR A 12 21.197 -5.773 -5.757 1.00 0.00 C ATOM 191 CE2 TYR A 12 19.181 -6.664 -6.690 1.00 0.00 C ATOM 192 CZ TYR A 12 20.335 -6.832 -5.954 1.00 0.00 C ATOM 193 OH TYR A 12 20.629 -8.063 -5.414 1.00 0.00 O ATOM 0 H TYR A 12 18.723 -1.277 -9.398 1.00 0.00 H new ATOM 0 HA TYR A 12 21.257 -2.538 -8.655 1.00 0.00 H new ATOM 0 HB2 TYR A 12 19.620 -2.220 -6.897 1.00 0.00 H new ATOM 0 HB3 TYR A 12 18.352 -2.947 -7.864 1.00 0.00 H new ATOM 0 HD1 TYR A 12 21.573 -3.712 -6.144 1.00 0.00 H new ATOM 0 HD2 TYR A 12 17.986 -5.298 -7.807 1.00 0.00 H new ATOM 0 HE1 TYR A 12 22.101 -5.908 -5.181 1.00 0.00 H new ATOM 0 HE2 TYR A 12 18.508 -7.495 -6.843 1.00 0.00 H new ATOM 0 HH TYR A 12 19.920 -8.699 -5.644 1.00 0.00 H new ATOM 203 N SER A 13 18.924 -3.983 -10.502 1.00 0.00 N ATOM 204 CA SER A 13 18.686 -5.057 -11.459 1.00 0.00 C ATOM 205 C SER A 13 19.760 -5.066 -12.543 1.00 0.00 C ATOM 206 O SER A 13 20.368 -4.037 -12.840 1.00 0.00 O ATOM 207 CB SER A 13 17.304 -4.904 -12.096 1.00 0.00 C ATOM 208 OG SER A 13 17.163 -5.755 -13.221 1.00 0.00 O ATOM 0 H SER A 13 18.124 -3.369 -10.350 1.00 0.00 H new ATOM 0 HA SER A 13 18.728 -6.005 -10.922 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.534 -5.137 -11.361 1.00 0.00 H new ATOM 0 HB3 SER A 13 17.152 -3.868 -12.399 1.00 0.00 H new ATOM 0 HG SER A 13 17.560 -6.629 -13.022 1.00 0.00 H new ATOM 214 N VAL A 14 19.988 -6.236 -13.132 1.00 0.00 N ATOM 215 CA VAL A 14 20.987 -6.380 -14.184 1.00 0.00 C ATOM 216 C VAL A 14 20.328 -6.557 -15.547 1.00 0.00 C ATOM 217 O VAL A 14 20.927 -6.262 -16.582 1.00 0.00 O ATOM 218 CB VAL A 14 21.916 -7.579 -13.915 1.00 0.00 C ATOM 219 CG1 VAL A 14 22.572 -7.451 -12.549 1.00 0.00 C ATOM 220 CG2 VAL A 14 21.144 -8.885 -14.025 1.00 0.00 C ATOM 0 H VAL A 14 19.494 -7.097 -12.898 1.00 0.00 H new ATOM 0 HA VAL A 14 21.579 -5.465 -14.186 1.00 0.00 H new ATOM 0 HB VAL A 14 22.703 -7.584 -14.669 1.00 0.00 H new ATOM 0 HG11 VAL A 14 23.224 -8.307 -12.377 1.00 0.00 H new ATOM 0 HG12 VAL A 14 23.160 -6.534 -12.512 1.00 0.00 H new ATOM 0 HG13 VAL A 14 21.803 -7.420 -11.777 1.00 0.00 H new ATOM 0 HG21 VAL A 14 21.815 -9.722 -13.832 1.00 0.00 H new ATOM 0 HG22 VAL A 14 20.335 -8.892 -13.294 1.00 0.00 H new ATOM 0 HG23 VAL A 14 20.727 -8.978 -15.028 1.00 0.00 H new ATOM 230 N PHE A 15 19.090 -7.041 -15.541 1.00 0.00 N ATOM 231 CA PHE A 15 18.349 -7.258 -16.778 1.00 0.00 C ATOM 232 C PHE A 15 18.165 -5.949 -17.539 1.00 0.00 C ATOM 233 O PHE A 15 17.475 -5.042 -17.076 1.00 0.00 O ATOM 234 CB PHE A 15 16.984 -7.882 -16.476 1.00 0.00 C ATOM 235 CG PHE A 15 16.891 -9.332 -16.854 1.00 0.00 C ATOM 236 CD1 PHE A 15 16.710 -10.304 -15.883 1.00 0.00 C ATOM 237 CD2 PHE A 15 16.986 -9.724 -18.179 1.00 0.00 C ATOM 238 CE1 PHE A 15 16.624 -11.640 -16.227 1.00 0.00 C ATOM 239 CE2 PHE A 15 16.899 -11.059 -18.529 1.00 0.00 C ATOM 240 CZ PHE A 15 16.720 -12.018 -17.552 1.00 0.00 C ATOM 0 H PHE A 15 18.579 -7.290 -14.694 1.00 0.00 H new ATOM 0 HA PHE A 15 18.924 -7.942 -17.402 1.00 0.00 H new ATOM 0 HB2 PHE A 15 16.773 -7.778 -15.412 1.00 0.00 H new ATOM 0 HB3 PHE A 15 16.213 -7.326 -17.009 1.00 0.00 H new ATOM 0 HD1 PHE A 15 16.635 -10.014 -14.845 1.00 0.00 H new ATOM 0 HD2 PHE A 15 17.130 -8.979 -18.947 1.00 0.00 H new ATOM 0 HE1 PHE A 15 16.482 -12.387 -15.461 1.00 0.00 H new ATOM 0 HE2 PHE A 15 16.971 -11.351 -19.566 1.00 0.00 H new ATOM 0 HZ PHE A 15 16.655 -13.061 -17.823 1.00 0.00 H new ATOM 250 N GLU A 16 18.789 -5.860 -18.710 1.00 0.00 N ATOM 251 CA GLU A 16 18.696 -4.661 -19.535 1.00 0.00 C ATOM 252 C GLU A 16 17.243 -4.355 -19.887 1.00 0.00 C ATOM 253 O GLU A 16 16.896 -3.217 -20.203 1.00 0.00 O ATOM 254 CB GLU A 16 19.517 -4.830 -20.815 1.00 0.00 C ATOM 255 CG GLU A 16 19.997 -3.517 -21.408 1.00 0.00 C ATOM 256 CD GLU A 16 20.872 -3.714 -22.631 1.00 0.00 C ATOM 257 OE1 GLU A 16 20.347 -4.173 -23.667 1.00 0.00 O ATOM 258 OE2 GLU A 16 22.081 -3.410 -22.552 1.00 0.00 O ATOM 0 H GLU A 16 19.364 -6.603 -19.108 1.00 0.00 H new ATOM 0 HA GLU A 16 19.098 -3.825 -18.962 1.00 0.00 H new ATOM 0 HB2 GLU A 16 20.381 -5.460 -20.602 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.915 -5.355 -21.556 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.134 -2.908 -21.677 1.00 0.00 H new ATOM 0 HG3 GLU A 16 20.555 -2.964 -20.652 1.00 0.00 H new ATOM 265 N SER A 17 16.398 -5.379 -19.831 1.00 0.00 N ATOM 266 CA SER A 17 14.983 -5.222 -20.148 1.00 0.00 C ATOM 267 C SER A 17 14.296 -4.315 -19.132 1.00 0.00 C ATOM 268 O SER A 17 13.438 -3.506 -19.485 1.00 0.00 O ATOM 269 CB SER A 17 14.291 -6.586 -20.181 1.00 0.00 C ATOM 270 OG SER A 17 15.162 -7.588 -20.677 1.00 0.00 O ATOM 0 H SER A 17 16.669 -6.327 -19.569 1.00 0.00 H new ATOM 0 HA SER A 17 14.906 -4.760 -21.132 1.00 0.00 H new ATOM 0 HB2 SER A 17 13.958 -6.853 -19.178 1.00 0.00 H new ATOM 0 HB3 SER A 17 13.401 -6.531 -20.808 1.00 0.00 H new ATOM 0 HG SER A 17 14.697 -8.450 -20.686 1.00 0.00 H new ATOM 276 N VAL A 18 14.681 -4.456 -17.868 1.00 0.00 N ATOM 277 CA VAL A 18 14.103 -3.649 -16.799 1.00 0.00 C ATOM 278 C VAL A 18 14.646 -2.225 -16.831 1.00 0.00 C ATOM 279 O VAL A 18 13.943 -1.273 -16.490 1.00 0.00 O ATOM 280 CB VAL A 18 14.388 -4.264 -15.416 1.00 0.00 C ATOM 281 CG1 VAL A 18 13.750 -3.427 -14.318 1.00 0.00 C ATOM 282 CG2 VAL A 18 13.891 -5.700 -15.359 1.00 0.00 C ATOM 0 H VAL A 18 15.390 -5.121 -17.559 1.00 0.00 H new ATOM 0 HA VAL A 18 13.026 -3.628 -16.965 1.00 0.00 H new ATOM 0 HB VAL A 18 15.466 -4.270 -15.256 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.962 -3.877 -13.348 1.00 0.00 H new ATOM 0 HG12 VAL A 18 14.159 -2.417 -14.347 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.672 -3.387 -14.471 1.00 0.00 H new ATOM 0 HG21 VAL A 18 14.101 -6.119 -14.375 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.816 -5.721 -15.541 1.00 0.00 H new ATOM 0 HG23 VAL A 18 14.399 -6.291 -16.121 1.00 0.00 H new ATOM 292 N LYS A 19 15.901 -2.085 -17.245 1.00 0.00 N ATOM 293 CA LYS A 19 16.539 -0.776 -17.325 1.00 0.00 C ATOM 294 C LYS A 19 16.117 -0.041 -18.593 1.00 0.00 C ATOM 295 O LYS A 19 16.141 1.189 -18.648 1.00 0.00 O ATOM 296 CB LYS A 19 18.062 -0.926 -17.292 1.00 0.00 C ATOM 297 CG LYS A 19 18.555 -1.893 -16.230 1.00 0.00 C ATOM 298 CD LYS A 19 20.070 -1.877 -16.121 1.00 0.00 C ATOM 299 CE LYS A 19 20.652 -3.277 -16.231 1.00 0.00 C ATOM 300 NZ LYS A 19 22.111 -3.297 -15.932 1.00 0.00 N ATOM 0 H LYS A 19 16.497 -2.862 -17.530 1.00 0.00 H new ATOM 0 HA LYS A 19 16.219 -0.190 -16.464 1.00 0.00 H new ATOM 0 HB2 LYS A 19 18.406 -1.266 -18.269 1.00 0.00 H new ATOM 0 HB3 LYS A 19 18.511 0.052 -17.118 1.00 0.00 H new ATOM 0 HG2 LYS A 19 18.117 -1.631 -15.267 1.00 0.00 H new ATOM 0 HG3 LYS A 19 18.217 -2.901 -16.470 1.00 0.00 H new ATOM 0 HD2 LYS A 19 20.486 -1.246 -16.907 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.363 -1.434 -15.169 1.00 0.00 H new ATOM 0 HE2 LYS A 19 20.131 -3.942 -15.542 1.00 0.00 H new ATOM 0 HE3 LYS A 19 20.482 -3.663 -17.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 22.470 -4.269 -16.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 22.612 -2.683 -16.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 22.272 -2.953 -14.964 1.00 0.00 H new ATOM 314 N THR A 20 15.729 -0.802 -19.611 1.00 0.00 N ATOM 315 CA THR A 20 15.302 -0.224 -20.879 1.00 0.00 C ATOM 316 C THR A 20 13.902 0.369 -20.768 1.00 0.00 C ATOM 317 O THR A 20 13.648 1.479 -21.237 1.00 0.00 O ATOM 318 CB THR A 20 15.316 -1.271 -22.008 1.00 0.00 C ATOM 319 OG1 THR A 20 14.778 -2.510 -21.533 1.00 0.00 O ATOM 320 CG2 THR A 20 16.729 -1.491 -22.525 1.00 0.00 C ATOM 0 H THR A 20 15.702 -1.821 -19.582 1.00 0.00 H new ATOM 0 HA THR A 20 16.011 0.568 -21.120 1.00 0.00 H new ATOM 0 HB THR A 20 14.701 -0.898 -22.827 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.491 -3.038 -21.118 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.713 -2.235 -23.322 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.125 -0.552 -22.913 1.00 0.00 H new ATOM 0 HG23 THR A 20 17.363 -1.844 -21.712 1.00 0.00 H new ATOM 328 N ARG A 21 12.996 -0.378 -20.145 1.00 0.00 N ATOM 329 CA ARG A 21 11.620 0.075 -19.974 1.00 0.00 C ATOM 330 C ARG A 21 11.579 1.467 -19.352 1.00 0.00 C ATOM 331 O ARG A 21 12.539 1.925 -18.732 1.00 0.00 O ATOM 332 CB ARG A 21 10.843 -0.910 -19.098 1.00 0.00 C ATOM 333 CG ARG A 21 9.864 -1.775 -19.875 1.00 0.00 C ATOM 334 CD ARG A 21 9.742 -3.163 -19.266 1.00 0.00 C ATOM 335 NE ARG A 21 8.644 -3.925 -19.855 1.00 0.00 N ATOM 336 CZ ARG A 21 7.364 -3.700 -19.581 1.00 0.00 C ATOM 337 NH1 ARG A 21 7.022 -2.740 -18.733 1.00 0.00 N ATOM 338 NH2 ARG A 21 6.422 -4.436 -20.158 1.00 0.00 N ATOM 0 H ARG A 21 13.190 -1.299 -19.751 1.00 0.00 H new ATOM 0 HA ARG A 21 11.154 0.122 -20.958 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.550 -1.555 -18.576 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.297 -0.353 -18.336 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.885 -1.296 -19.889 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.193 -1.859 -20.911 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.677 -3.705 -19.409 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.586 -3.075 -18.191 1.00 0.00 H new ATOM 0 HE ARG A 21 8.873 -4.671 -20.513 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.743 -2.171 -18.289 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.038 -2.570 -18.525 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.681 -5.175 -20.812 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.439 -4.263 -19.947 1.00 0.00 H new ATOM 352 N PRO A 22 10.442 2.158 -19.521 1.00 0.00 N ATOM 353 CA PRO A 22 10.249 3.508 -18.984 1.00 0.00 C ATOM 354 C PRO A 22 10.143 3.517 -17.463 1.00 0.00 C ATOM 355 O PRO A 22 10.389 2.504 -16.808 1.00 0.00 O ATOM 356 CB PRO A 22 8.928 3.955 -19.615 1.00 0.00 C ATOM 357 CG PRO A 22 8.201 2.688 -19.909 1.00 0.00 C ATOM 358 CD PRO A 22 9.258 1.674 -20.250 1.00 0.00 C ATOM 0 HA PRO A 22 11.090 4.162 -19.214 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.359 4.589 -18.935 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.099 4.533 -20.523 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.614 2.366 -19.049 1.00 0.00 H new ATOM 0 HG3 PRO A 22 7.505 2.820 -20.738 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.971 0.672 -19.931 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.439 1.627 -21.324 1.00 0.00 H new ATOM 366 N ASP A 23 9.775 4.667 -16.907 1.00 0.00 N ATOM 367 CA ASP A 23 9.635 4.807 -15.463 1.00 0.00 C ATOM 368 C ASP A 23 8.182 4.621 -15.037 1.00 0.00 C ATOM 369 O ASP A 23 7.903 4.231 -13.904 1.00 0.00 O ATOM 370 CB ASP A 23 10.140 6.178 -15.010 1.00 0.00 C ATOM 371 CG ASP A 23 11.538 6.475 -15.516 1.00 0.00 C ATOM 372 OD1 ASP A 23 11.776 7.616 -15.967 1.00 0.00 O ATOM 373 OD2 ASP A 23 12.394 5.568 -15.460 1.00 0.00 O ATOM 0 H ASP A 23 9.569 5.515 -17.435 1.00 0.00 H new ATOM 0 HA ASP A 23 10.236 4.032 -14.988 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.457 6.949 -15.365 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.134 6.223 -13.921 1.00 0.00 H new ATOM 378 N GLU A 24 7.261 4.903 -15.953 1.00 0.00 N ATOM 379 CA GLU A 24 5.837 4.767 -15.671 1.00 0.00 C ATOM 380 C GLU A 24 5.431 3.298 -15.614 1.00 0.00 C ATOM 381 O GLU A 24 4.650 2.891 -14.752 1.00 0.00 O ATOM 382 CB GLU A 24 5.012 5.495 -16.735 1.00 0.00 C ATOM 383 CG GLU A 24 5.268 4.998 -18.148 1.00 0.00 C ATOM 384 CD GLU A 24 4.529 5.809 -19.195 1.00 0.00 C ATOM 385 OE1 GLU A 24 3.849 5.199 -20.046 1.00 0.00 O ATOM 386 OE2 GLU A 24 4.631 7.053 -19.163 1.00 0.00 O ATOM 0 H GLU A 24 7.475 5.227 -16.896 1.00 0.00 H new ATOM 0 HA GLU A 24 5.641 5.218 -14.698 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.953 5.379 -16.504 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.233 6.561 -16.688 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.338 5.035 -18.354 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.965 3.954 -18.222 1.00 0.00 H new ATOM 393 N LEU A 25 5.965 2.506 -16.538 1.00 0.00 N ATOM 394 CA LEU A 25 5.658 1.081 -16.594 1.00 0.00 C ATOM 395 C LEU A 25 6.259 0.347 -15.399 1.00 0.00 C ATOM 396 O LEU A 25 5.608 -0.501 -14.787 1.00 0.00 O ATOM 397 CB LEU A 25 6.186 0.477 -17.896 1.00 0.00 C ATOM 398 CG LEU A 25 5.489 0.932 -19.179 1.00 0.00 C ATOM 399 CD1 LEU A 25 6.070 0.213 -20.386 1.00 0.00 C ATOM 400 CD2 LEU A 25 3.989 0.693 -19.084 1.00 0.00 C ATOM 0 H LEU A 25 6.612 2.827 -17.258 1.00 0.00 H new ATOM 0 HA LEU A 25 4.575 0.966 -16.560 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.247 0.714 -17.979 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.106 -0.608 -17.828 1.00 0.00 H new ATOM 0 HG LEU A 25 5.659 2.001 -19.303 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.562 0.550 -21.290 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.134 0.435 -20.464 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.931 -0.862 -20.271 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.509 1.023 -20.005 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.799 -0.370 -18.936 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.584 1.255 -18.243 1.00 0.00 H new ATOM 412 N LEU A 26 7.502 0.680 -15.071 1.00 0.00 N ATOM 413 CA LEU A 26 8.191 0.055 -13.947 1.00 0.00 C ATOM 414 C LEU A 26 7.342 0.125 -12.681 1.00 0.00 C ATOM 415 O LEU A 26 7.206 -0.861 -11.956 1.00 0.00 O ATOM 416 CB LEU A 26 9.540 0.734 -13.709 1.00 0.00 C ATOM 417 CG LEU A 26 10.700 0.246 -14.578 1.00 0.00 C ATOM 418 CD1 LEU A 26 11.965 1.033 -14.271 1.00 0.00 C ATOM 419 CD2 LEU A 26 10.933 -1.243 -14.370 1.00 0.00 C ATOM 0 H LEU A 26 8.054 1.380 -15.567 1.00 0.00 H new ATOM 0 HA LEU A 26 8.358 -0.994 -14.192 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.418 1.805 -13.869 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.813 0.597 -12.663 1.00 0.00 H new ATOM 0 HG LEU A 26 10.439 0.410 -15.624 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.780 0.672 -14.899 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.793 2.090 -14.472 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.230 0.901 -13.222 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.762 -1.573 -14.996 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.172 -1.431 -13.323 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.032 -1.794 -14.641 1.00 0.00 H new ATOM 431 N LYS A 27 6.771 1.297 -12.422 1.00 0.00 N ATOM 432 CA LYS A 27 5.933 1.496 -11.246 1.00 0.00 C ATOM 433 C LYS A 27 4.835 0.440 -11.176 1.00 0.00 C ATOM 434 O LYS A 27 4.619 -0.174 -10.131 1.00 0.00 O ATOM 435 CB LYS A 27 5.309 2.894 -11.270 1.00 0.00 C ATOM 436 CG LYS A 27 6.211 3.972 -10.695 1.00 0.00 C ATOM 437 CD LYS A 27 6.225 5.214 -11.570 1.00 0.00 C ATOM 438 CE LYS A 27 5.154 6.207 -11.145 1.00 0.00 C ATOM 439 NZ LYS A 27 5.711 7.575 -10.956 1.00 0.00 N ATOM 0 H LYS A 27 6.874 2.123 -13.011 1.00 0.00 H new ATOM 0 HA LYS A 27 6.563 1.400 -10.361 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.057 3.153 -12.298 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.375 2.876 -10.708 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.871 4.236 -9.693 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.225 3.584 -10.596 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.205 5.688 -11.515 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.067 4.929 -12.610 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.366 6.236 -11.898 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.694 5.870 -10.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.950 8.223 -10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.445 7.552 -10.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.127 7.907 -11.849 1.00 0.00 H new ATOM 453 N GLN A 28 4.146 0.233 -12.293 1.00 0.00 N ATOM 454 CA GLN A 28 3.071 -0.751 -12.356 1.00 0.00 C ATOM 455 C GLN A 28 3.564 -2.125 -11.915 1.00 0.00 C ATOM 456 O GLN A 28 2.900 -2.815 -11.142 1.00 0.00 O ATOM 457 CB GLN A 28 2.506 -0.830 -13.776 1.00 0.00 C ATOM 458 CG GLN A 28 1.280 0.042 -13.992 1.00 0.00 C ATOM 459 CD GLN A 28 0.289 -0.575 -14.959 1.00 0.00 C ATOM 460 OE1 GLN A 28 -0.847 -0.880 -14.592 1.00 0.00 O ATOM 461 NE2 GLN A 28 0.713 -0.762 -16.203 1.00 0.00 N ATOM 0 H GLN A 28 4.312 0.733 -13.166 1.00 0.00 H new ATOM 0 HA GLN A 28 2.281 -0.433 -11.675 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.281 -0.535 -14.483 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.249 -1.866 -13.999 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.788 0.215 -13.035 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.593 1.015 -14.370 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.662 -0.495 -16.464 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.090 -1.173 -16.898 1.00 0.00 H new ATOM 470 N ASP A 29 4.732 -2.517 -12.413 1.00 0.00 N ATOM 471 CA ASP A 29 5.315 -3.809 -12.070 1.00 0.00 C ATOM 472 C ASP A 29 5.663 -3.871 -10.586 1.00 0.00 C ATOM 473 O ASP A 29 5.325 -4.836 -9.899 1.00 0.00 O ATOM 474 CB ASP A 29 6.566 -4.068 -12.911 1.00 0.00 C ATOM 475 CG ASP A 29 6.336 -3.805 -14.386 1.00 0.00 C ATOM 476 OD1 ASP A 29 7.305 -3.433 -15.081 1.00 0.00 O ATOM 477 OD2 ASP A 29 5.187 -3.972 -14.846 1.00 0.00 O ATOM 0 H ASP A 29 5.294 -1.958 -13.056 1.00 0.00 H new ATOM 0 HA ASP A 29 4.576 -4.581 -12.285 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.378 -3.434 -12.554 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.885 -5.101 -12.774 1.00 0.00 H new ATOM 482 N ILE A 30 6.340 -2.837 -10.098 1.00 0.00 N ATOM 483 CA ILE A 30 6.733 -2.775 -8.696 1.00 0.00 C ATOM 484 C ILE A 30 5.524 -2.925 -7.779 1.00 0.00 C ATOM 485 O ILE A 30 5.524 -3.749 -6.863 1.00 0.00 O ATOM 486 CB ILE A 30 7.449 -1.451 -8.370 1.00 0.00 C ATOM 487 CG1 ILE A 30 8.711 -1.305 -9.222 1.00 0.00 C ATOM 488 CG2 ILE A 30 7.792 -1.384 -6.890 1.00 0.00 C ATOM 489 CD1 ILE A 30 9.224 0.116 -9.305 1.00 0.00 C ATOM 0 H ILE A 30 6.628 -2.031 -10.653 1.00 0.00 H new ATOM 0 HA ILE A 30 7.421 -3.603 -8.524 1.00 0.00 H new ATOM 0 HB ILE A 30 6.777 -0.625 -8.605 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.494 -1.942 -8.809 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.504 -1.667 -10.229 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.298 -0.442 -6.676 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.877 -1.447 -6.301 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.448 -2.215 -6.631 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.120 0.144 -9.925 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.458 0.754 -9.746 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.464 0.475 -8.304 1.00 0.00 H new ATOM 501 N LEU A 31 4.494 -2.126 -8.031 1.00 0.00 N ATOM 502 CA LEU A 31 3.276 -2.171 -7.229 1.00 0.00 C ATOM 503 C LEU A 31 2.579 -3.520 -7.374 1.00 0.00 C ATOM 504 O LEU A 31 1.885 -3.970 -6.463 1.00 0.00 O ATOM 505 CB LEU A 31 2.326 -1.046 -7.645 1.00 0.00 C ATOM 506 CG LEU A 31 2.853 0.378 -7.464 1.00 0.00 C ATOM 507 CD1 LEU A 31 1.746 1.392 -7.711 1.00 0.00 C ATOM 508 CD2 LEU A 31 3.442 0.557 -6.073 1.00 0.00 C ATOM 0 H LEU A 31 4.477 -1.439 -8.784 1.00 0.00 H new ATOM 0 HA LEU A 31 3.553 -2.036 -6.184 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.067 -1.186 -8.695 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.404 -1.146 -7.073 1.00 0.00 H new ATOM 0 HG LEU A 31 3.643 0.548 -8.195 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.139 2.400 -7.578 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.371 1.280 -8.728 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.934 1.223 -7.004 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.812 1.576 -5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.672 0.367 -5.325 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.265 -0.144 -5.933 1.00 0.00 H new ATOM 520 N GLU A 32 2.770 -4.159 -8.523 1.00 0.00 N ATOM 521 CA GLU A 32 2.161 -5.458 -8.785 1.00 0.00 C ATOM 522 C GLU A 32 2.950 -6.576 -8.110 1.00 0.00 C ATOM 523 O GLU A 32 2.410 -7.642 -7.817 1.00 0.00 O ATOM 524 CB GLU A 32 2.080 -5.714 -10.291 1.00 0.00 C ATOM 525 CG GLU A 32 0.709 -5.432 -10.884 1.00 0.00 C ATOM 526 CD GLU A 32 0.405 -6.301 -12.089 1.00 0.00 C ATOM 527 OE1 GLU A 32 1.287 -6.431 -12.964 1.00 0.00 O ATOM 528 OE2 GLU A 32 -0.714 -6.850 -12.157 1.00 0.00 O ATOM 0 H GLU A 32 3.341 -3.799 -9.287 1.00 0.00 H new ATOM 0 HA GLU A 32 1.153 -5.447 -8.371 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.820 -5.094 -10.797 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.346 -6.752 -10.489 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.053 -5.595 -10.122 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.651 -4.383 -11.173 1.00 0.00 H new ATOM 535 N ALA A 33 4.232 -6.323 -7.866 1.00 0.00 N ATOM 536 CA ALA A 33 5.096 -7.306 -7.225 1.00 0.00 C ATOM 537 C ALA A 33 4.796 -7.410 -5.733 1.00 0.00 C ATOM 538 O ALA A 33 4.734 -8.507 -5.176 1.00 0.00 O ATOM 539 CB ALA A 33 6.558 -6.950 -7.448 1.00 0.00 C ATOM 0 H ALA A 33 4.695 -5.445 -8.103 1.00 0.00 H new ATOM 0 HA ALA A 33 4.898 -8.277 -7.678 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.191 -7.693 -6.964 1.00 0.00 H new ATOM 0 HB2 ALA A 33 6.770 -6.934 -8.517 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.762 -5.967 -7.023 1.00 0.00 H new ATOM 545 N THR A 34 4.612 -6.262 -5.090 1.00 0.00 N ATOM 546 CA THR A 34 4.321 -6.223 -3.662 1.00 0.00 C ATOM 547 C THR A 34 3.083 -7.049 -3.332 1.00 0.00 C ATOM 548 O THR A 34 2.903 -7.487 -2.196 1.00 0.00 O ATOM 549 CB THR A 34 4.107 -4.779 -3.171 1.00 0.00 C ATOM 550 OG1 THR A 34 4.114 -4.742 -1.740 1.00 0.00 O ATOM 551 CG2 THR A 34 2.792 -4.219 -3.692 1.00 0.00 C ATOM 0 H THR A 34 4.659 -5.346 -5.536 1.00 0.00 H new ATOM 0 HA THR A 34 5.185 -6.647 -3.151 1.00 0.00 H new ATOM 0 HB THR A 34 4.922 -4.164 -3.554 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.979 -3.820 -1.436 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.663 -3.198 -3.332 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.802 -4.221 -4.782 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.967 -4.836 -3.336 1.00 0.00 H new ATOM 559 N ALA A 35 2.232 -7.257 -4.331 1.00 0.00 N ATOM 560 CA ALA A 35 1.012 -8.033 -4.146 1.00 0.00 C ATOM 561 C ALA A 35 1.331 -9.489 -3.822 1.00 0.00 C ATOM 562 O ALA A 35 0.570 -10.160 -3.125 1.00 0.00 O ATOM 563 CB ALA A 35 0.138 -7.946 -5.389 1.00 0.00 C ATOM 0 H ALA A 35 2.365 -6.899 -5.277 1.00 0.00 H new ATOM 0 HA ALA A 35 0.467 -7.611 -3.301 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.770 -8.530 -5.237 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.127 -6.905 -5.575 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.684 -8.340 -6.246 1.00 0.00 H new ATOM 569 N ASP A 36 2.459 -9.970 -4.332 1.00 0.00 N ATOM 570 CA ASP A 36 2.878 -11.347 -4.096 1.00 0.00 C ATOM 571 C ASP A 36 3.462 -11.505 -2.695 1.00 0.00 C ATOM 572 O ASP A 36 3.054 -12.387 -1.939 1.00 0.00 O ATOM 573 CB ASP A 36 3.909 -11.775 -5.142 1.00 0.00 C ATOM 574 CG ASP A 36 3.972 -13.280 -5.310 1.00 0.00 C ATOM 575 OD1 ASP A 36 2.917 -13.892 -5.583 1.00 0.00 O ATOM 576 OD2 ASP A 36 5.076 -13.846 -5.170 1.00 0.00 O ATOM 0 H ASP A 36 3.100 -9.427 -4.911 1.00 0.00 H new ATOM 0 HA ASP A 36 2.000 -11.987 -4.179 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.663 -11.315 -6.099 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.892 -11.403 -4.853 1.00 0.00 H new ATOM 581 N ILE A 37 4.417 -10.646 -2.358 1.00 0.00 N ATOM 582 CA ILE A 37 5.056 -10.690 -1.048 1.00 0.00 C ATOM 583 C ILE A 37 4.034 -10.509 0.069 1.00 0.00 C ATOM 584 O ILE A 37 4.014 -11.272 1.035 1.00 0.00 O ATOM 585 CB ILE A 37 6.142 -9.607 -0.915 1.00 0.00 C ATOM 586 CG1 ILE A 37 7.201 -9.778 -2.006 1.00 0.00 C ATOM 587 CG2 ILE A 37 6.782 -9.665 0.465 1.00 0.00 C ATOM 588 CD1 ILE A 37 8.306 -8.747 -1.943 1.00 0.00 C ATOM 0 H ILE A 37 4.766 -9.911 -2.973 1.00 0.00 H new ATOM 0 HA ILE A 37 5.520 -11.672 -0.957 1.00 0.00 H new ATOM 0 HB ILE A 37 5.676 -8.629 -1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.638 -10.773 -1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.718 -9.722 -2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.548 -8.893 0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.020 -9.499 1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.237 -10.644 0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.020 -8.930 -2.746 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.880 -7.750 -2.056 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.815 -8.817 -0.982 1.00 0.00 H new ATOM 600 N ILE A 38 3.185 -9.496 -0.072 1.00 0.00 N ATOM 601 CA ILE A 38 2.158 -9.217 0.924 1.00 0.00 C ATOM 602 C ILE A 38 1.177 -10.379 1.042 1.00 0.00 C ATOM 603 O ILE A 38 0.673 -10.672 2.127 1.00 0.00 O ATOM 604 CB ILE A 38 1.377 -7.934 0.583 1.00 0.00 C ATOM 605 CG1 ILE A 38 2.304 -6.718 0.636 1.00 0.00 C ATOM 606 CG2 ILE A 38 0.207 -7.757 1.539 1.00 0.00 C ATOM 607 CD1 ILE A 38 1.650 -5.439 0.164 1.00 0.00 C ATOM 0 H ILE A 38 3.188 -8.855 -0.866 1.00 0.00 H new ATOM 0 HA ILE A 38 2.671 -9.079 1.876 1.00 0.00 H new ATOM 0 HB ILE A 38 0.983 -8.023 -0.430 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.653 -6.582 1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.183 -6.915 0.023 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.335 -6.846 1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.463 -8.613 1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.580 -7.685 2.561 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.365 -4.619 0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.325 -5.556 -0.870 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.787 -5.218 0.792 1.00 0.00 H new ATOM 619 N LEU A 39 0.912 -11.039 -0.080 1.00 0.00 N ATOM 620 CA LEU A 39 -0.007 -12.171 -0.103 1.00 0.00 C ATOM 621 C LEU A 39 0.511 -13.311 0.768 1.00 0.00 C ATOM 622 O LEU A 39 -0.257 -14.159 1.222 1.00 0.00 O ATOM 623 CB LEU A 39 -0.209 -12.661 -1.538 1.00 0.00 C ATOM 624 CG LEU A 39 -1.546 -12.303 -2.187 1.00 0.00 C ATOM 625 CD1 LEU A 39 -1.402 -12.226 -3.699 1.00 0.00 C ATOM 626 CD2 LEU A 39 -2.614 -13.317 -1.803 1.00 0.00 C ATOM 0 H LEU A 39 1.321 -10.809 -0.986 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.964 -11.838 0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.592 -12.255 -2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.101 -13.746 -1.549 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.854 -11.324 -1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.364 -11.970 -4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.669 -11.462 -3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.070 -13.191 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.559 -13.046 -2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.312 -14.309 -2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.737 -13.323 -0.720 1.00 0.00 H new ATOM 638 N LYS A 40 1.820 -13.325 0.998 1.00 0.00 N ATOM 639 CA LYS A 40 2.442 -14.358 1.816 1.00 0.00 C ATOM 640 C LYS A 40 2.348 -14.009 3.298 1.00 0.00 C ATOM 641 O LYS A 40 1.974 -14.844 4.121 1.00 0.00 O ATOM 642 CB LYS A 40 3.908 -14.540 1.417 1.00 0.00 C ATOM 643 CG LYS A 40 4.190 -15.862 0.723 1.00 0.00 C ATOM 644 CD LYS A 40 5.489 -15.813 -0.064 1.00 0.00 C ATOM 645 CE LYS A 40 6.005 -17.210 -0.374 1.00 0.00 C ATOM 646 NZ LYS A 40 4.971 -18.049 -1.040 1.00 0.00 N ATOM 0 H LYS A 40 2.470 -12.632 0.629 1.00 0.00 H new ATOM 0 HA LYS A 40 1.906 -15.292 1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.200 -13.723 0.757 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.530 -14.467 2.309 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.243 -16.659 1.465 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.366 -16.105 0.052 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.332 -15.267 -0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.240 -15.264 0.505 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.883 -17.138 -1.016 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.324 -17.692 0.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.410 -18.920 -1.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.228 -18.294 -0.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.551 -17.520 -1.831 1.00 0.00 H new ATOM 660 N VAL A 41 2.689 -12.768 3.632 1.00 0.00 N ATOM 661 CA VAL A 41 2.641 -12.307 5.014 1.00 0.00 C ATOM 662 C VAL A 41 1.208 -12.013 5.445 1.00 0.00 C ATOM 663 O VAL A 41 0.935 -11.802 6.626 1.00 0.00 O ATOM 664 CB VAL A 41 3.496 -11.042 5.214 1.00 0.00 C ATOM 665 CG1 VAL A 41 4.950 -11.318 4.863 1.00 0.00 C ATOM 666 CG2 VAL A 41 2.947 -9.892 4.383 1.00 0.00 C ATOM 0 H VAL A 41 3.002 -12.064 2.964 1.00 0.00 H new ATOM 0 HA VAL A 41 3.045 -13.110 5.630 1.00 0.00 H new ATOM 0 HB VAL A 41 3.450 -10.756 6.265 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.538 -10.412 5.011 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.335 -12.110 5.505 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.020 -11.630 3.821 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.563 -9.006 4.536 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.961 -10.166 3.328 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.923 -9.679 4.689 1.00 0.00 H new ATOM 676 N GLY A 42 0.296 -12.001 4.479 1.00 0.00 N ATOM 677 CA GLY A 42 -1.099 -11.732 4.778 1.00 0.00 C ATOM 678 C GLY A 42 -1.302 -10.376 5.424 1.00 0.00 C ATOM 679 O GLY A 42 -2.261 -10.173 6.169 1.00 0.00 O ATOM 0 H GLY A 42 0.498 -12.173 3.494 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.681 -11.784 3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.482 -12.508 5.441 1.00 0.00 H new ATOM 683 N HIS A 43 -0.396 -9.446 5.141 1.00 0.00 N ATOM 684 CA HIS A 43 -0.480 -8.102 5.701 1.00 0.00 C ATOM 685 C HIS A 43 0.177 -7.084 4.773 1.00 0.00 C ATOM 686 O HIS A 43 1.246 -7.337 4.216 1.00 0.00 O ATOM 687 CB HIS A 43 0.185 -8.057 7.077 1.00 0.00 C ATOM 688 CG HIS A 43 -0.467 -8.952 8.086 1.00 0.00 C ATOM 689 ND1 HIS A 43 -1.756 -8.764 8.537 1.00 0.00 N ATOM 690 CD2 HIS A 43 0.000 -10.046 8.732 1.00 0.00 C ATOM 691 CE1 HIS A 43 -2.054 -9.703 9.417 1.00 0.00 C ATOM 692 NE2 HIS A 43 -1.005 -10.494 9.553 1.00 0.00 N ATOM 0 H HIS A 43 0.405 -9.598 4.527 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.534 -7.845 5.806 1.00 0.00 H new ATOM 0 HB2 HIS A 43 1.232 -8.341 6.975 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.167 -7.032 7.447 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.981 -10.485 8.622 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -2.995 -9.806 9.937 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.950 -11.306 10.168 1.00 0.00 H new ATOM 700 N ASP A 44 -0.470 -5.935 4.610 1.00 0.00 N ATOM 701 CA ASP A 44 0.051 -4.880 3.749 1.00 0.00 C ATOM 702 C ASP A 44 0.679 -3.763 4.577 1.00 0.00 C ATOM 703 O ASP A 44 0.866 -3.903 5.786 1.00 0.00 O ATOM 704 CB ASP A 44 -1.064 -4.314 2.868 1.00 0.00 C ATOM 705 CG ASP A 44 -2.101 -3.550 3.668 1.00 0.00 C ATOM 706 OD1 ASP A 44 -2.329 -3.910 4.842 1.00 0.00 O ATOM 707 OD2 ASP A 44 -2.685 -2.592 3.120 1.00 0.00 O ATOM 0 H ASP A 44 -1.356 -5.711 5.063 1.00 0.00 H new ATOM 0 HA ASP A 44 0.822 -5.313 3.112 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.630 -3.654 2.117 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.550 -5.130 2.333 1.00 0.00 H new ATOM 712 N PHE A 45 1.002 -2.655 3.919 1.00 0.00 N ATOM 713 CA PHE A 45 1.611 -1.515 4.594 1.00 0.00 C ATOM 714 C PHE A 45 0.860 -0.227 4.270 1.00 0.00 C ATOM 715 O PHE A 45 1.468 0.801 3.971 1.00 0.00 O ATOM 716 CB PHE A 45 3.080 -1.378 4.186 1.00 0.00 C ATOM 717 CG PHE A 45 3.832 -2.678 4.209 1.00 0.00 C ATOM 718 CD1 PHE A 45 4.081 -3.329 5.406 1.00 0.00 C ATOM 719 CD2 PHE A 45 4.289 -3.250 3.032 1.00 0.00 C ATOM 720 CE1 PHE A 45 4.773 -4.525 5.431 1.00 0.00 C ATOM 721 CE2 PHE A 45 4.981 -4.446 3.051 1.00 0.00 C ATOM 722 CZ PHE A 45 5.224 -5.084 4.251 1.00 0.00 C ATOM 0 H PHE A 45 0.852 -2.522 2.919 1.00 0.00 H new ATOM 0 HA PHE A 45 1.554 -1.688 5.669 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.132 -0.955 3.183 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.571 -0.672 4.856 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.730 -2.897 6.331 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.102 -2.756 2.090 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.961 -5.022 6.371 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.332 -4.882 2.127 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.766 -6.018 4.267 1.00 0.00 H new ATOM 732 N SER A 46 -0.466 -0.291 4.332 1.00 0.00 N ATOM 733 CA SER A 46 -1.302 0.868 4.042 1.00 0.00 C ATOM 734 C SER A 46 -1.116 1.951 5.101 1.00 0.00 C ATOM 735 O SER A 46 -0.900 3.119 4.778 1.00 0.00 O ATOM 736 CB SER A 46 -2.774 0.457 3.971 1.00 0.00 C ATOM 737 OG SER A 46 -3.624 1.585 4.086 1.00 0.00 O ATOM 0 H SER A 46 -0.985 -1.133 4.581 1.00 0.00 H new ATOM 0 HA SER A 46 -0.997 1.272 3.076 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.967 -0.053 3.027 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.996 -0.252 4.768 1.00 0.00 H new ATOM 0 HG SER A 46 -4.559 1.296 4.036 1.00 0.00 H new ATOM 743 N ASP A 47 -1.200 1.554 6.365 1.00 0.00 N ATOM 744 CA ASP A 47 -1.040 2.489 7.473 1.00 0.00 C ATOM 745 C ASP A 47 0.243 3.299 7.319 1.00 0.00 C ATOM 746 O ASP A 47 1.337 2.739 7.244 1.00 0.00 O ATOM 747 CB ASP A 47 -1.027 1.737 8.805 1.00 0.00 C ATOM 748 CG ASP A 47 -2.402 1.237 9.201 1.00 0.00 C ATOM 749 OD1 ASP A 47 -3.245 2.068 9.599 1.00 0.00 O ATOM 750 OD2 ASP A 47 -2.636 0.013 9.112 1.00 0.00 O ATOM 0 H ASP A 47 -1.378 0.591 6.649 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.886 3.176 7.461 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.343 0.892 8.735 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.644 2.394 9.586 1.00 0.00 H new ATOM 755 N ALA A 48 0.101 4.619 7.272 1.00 0.00 N ATOM 756 CA ALA A 48 1.249 5.506 7.128 1.00 0.00 C ATOM 757 C ALA A 48 2.142 5.454 8.363 1.00 0.00 C ATOM 758 O ALA A 48 3.340 5.724 8.285 1.00 0.00 O ATOM 759 CB ALA A 48 0.785 6.932 6.869 1.00 0.00 C ATOM 0 H ALA A 48 -0.798 5.098 7.332 1.00 0.00 H new ATOM 0 HA ALA A 48 1.835 5.165 6.274 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.653 7.583 6.764 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.195 6.962 5.953 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.174 7.273 7.705 1.00 0.00 H new ATOM 765 N GLU A 49 1.550 5.106 9.501 1.00 0.00 N ATOM 766 CA GLU A 49 2.293 5.021 10.753 1.00 0.00 C ATOM 767 C GLU A 49 2.846 3.614 10.962 1.00 0.00 C ATOM 768 O GLU A 49 3.395 3.302 12.019 1.00 0.00 O ATOM 769 CB GLU A 49 1.396 5.408 11.931 1.00 0.00 C ATOM 770 CG GLU A 49 2.142 5.527 13.250 1.00 0.00 C ATOM 771 CD GLU A 49 2.002 6.901 13.877 1.00 0.00 C ATOM 772 OE1 GLU A 49 1.142 7.060 14.768 1.00 0.00 O ATOM 773 OE2 GLU A 49 2.752 7.816 13.478 1.00 0.00 O ATOM 0 H GLU A 49 0.559 4.879 9.582 1.00 0.00 H new ATOM 0 HA GLU A 49 3.129 5.718 10.698 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.911 6.359 11.710 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.606 4.664 12.036 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.767 4.775 13.944 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.198 5.312 13.087 1.00 0.00 H new ATOM 780 N TYR A 50 2.698 2.769 9.948 1.00 0.00 N ATOM 781 CA TYR A 50 3.180 1.395 10.021 1.00 0.00 C ATOM 782 C TYR A 50 3.688 0.923 8.662 1.00 0.00 C ATOM 783 O TYR A 50 3.184 -0.051 8.103 1.00 0.00 O ATOM 784 CB TYR A 50 2.067 0.468 10.512 1.00 0.00 C ATOM 785 CG TYR A 50 2.522 -0.955 10.742 1.00 0.00 C ATOM 786 CD1 TYR A 50 3.663 -1.229 11.488 1.00 0.00 C ATOM 787 CD2 TYR A 50 1.814 -2.027 10.213 1.00 0.00 C ATOM 788 CE1 TYR A 50 4.083 -2.527 11.700 1.00 0.00 C ATOM 789 CE2 TYR A 50 2.226 -3.329 10.422 1.00 0.00 C ATOM 790 CZ TYR A 50 3.361 -3.574 11.166 1.00 0.00 C ATOM 791 OH TYR A 50 3.776 -4.869 11.374 1.00 0.00 O ATOM 0 H TYR A 50 2.248 3.012 9.065 1.00 0.00 H new ATOM 0 HA TYR A 50 4.008 1.364 10.729 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.659 0.865 11.442 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.257 0.468 9.782 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.231 -0.412 11.909 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.926 -1.839 9.628 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.972 -2.722 12.281 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.662 -4.150 10.005 1.00 0.00 H new ATOM 0 HH TYR A 50 3.156 -5.486 10.932 1.00 0.00 H new ATOM 801 N ILE A 51 4.689 1.622 8.137 1.00 0.00 N ATOM 802 CA ILE A 51 5.267 1.274 6.845 1.00 0.00 C ATOM 803 C ILE A 51 6.706 0.794 6.998 1.00 0.00 C ATOM 804 O ILE A 51 7.659 1.486 6.639 1.00 0.00 O ATOM 805 CB ILE A 51 5.237 2.470 5.875 1.00 0.00 C ATOM 806 CG1 ILE A 51 3.812 3.009 5.739 1.00 0.00 C ATOM 807 CG2 ILE A 51 5.786 2.063 4.516 1.00 0.00 C ATOM 808 CD1 ILE A 51 3.694 4.172 4.780 1.00 0.00 C ATOM 0 H ILE A 51 5.116 2.432 8.586 1.00 0.00 H new ATOM 0 HA ILE A 51 4.659 0.468 6.434 1.00 0.00 H new ATOM 0 HB ILE A 51 5.868 3.262 6.279 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.158 2.204 5.403 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.455 3.321 6.721 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.758 2.919 3.841 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.815 1.721 4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.178 1.257 4.105 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.656 4.502 4.734 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.321 4.994 5.126 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.020 3.860 3.788 1.00 0.00 H new ATOM 820 N PRO A 52 6.870 -0.421 7.543 1.00 0.00 N ATOM 821 CA PRO A 52 8.190 -1.022 7.754 1.00 0.00 C ATOM 822 C PRO A 52 8.866 -1.411 6.444 1.00 0.00 C ATOM 823 O PRO A 52 8.233 -1.974 5.550 1.00 0.00 O ATOM 824 CB PRO A 52 7.882 -2.269 8.588 1.00 0.00 C ATOM 825 CG PRO A 52 6.472 -2.610 8.252 1.00 0.00 C ATOM 826 CD PRO A 52 5.779 -1.301 7.994 1.00 0.00 C ATOM 0 HA PRO A 52 8.881 -0.330 8.235 1.00 0.00 H new ATOM 0 HB2 PRO A 52 8.557 -3.088 8.340 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.998 -2.071 9.654 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.425 -3.256 7.375 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.995 -3.149 9.071 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.003 -1.400 7.235 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.298 -0.917 8.894 1.00 0.00 H new ATOM 834 N LEU A 53 10.155 -1.108 6.336 1.00 0.00 N ATOM 835 CA LEU A 53 10.918 -1.427 5.134 1.00 0.00 C ATOM 836 C LEU A 53 12.337 -1.861 5.489 1.00 0.00 C ATOM 837 O LEU A 53 13.293 -1.093 5.380 1.00 0.00 O ATOM 838 CB LEU A 53 10.962 -0.217 4.199 1.00 0.00 C ATOM 839 CG LEU A 53 11.056 -0.528 2.704 1.00 0.00 C ATOM 840 CD1 LEU A 53 9.874 -1.375 2.260 1.00 0.00 C ATOM 841 CD2 LEU A 53 11.127 0.759 1.896 1.00 0.00 C ATOM 0 H LEU A 53 10.694 -0.642 7.066 1.00 0.00 H new ATOM 0 HA LEU A 53 10.421 -2.254 4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.067 0.382 4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.817 0.400 4.476 1.00 0.00 H new ATOM 0 HG LEU A 53 11.969 -1.096 2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.958 -1.586 1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.869 -2.312 2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.947 -0.834 2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.193 0.519 0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.231 1.353 2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.007 1.328 2.195 1.00 0.00 H new ATOM 853 N PRO A 54 12.479 -3.122 5.922 1.00 0.00 N ATOM 854 CA PRO A 54 13.778 -3.688 6.299 1.00 0.00 C ATOM 855 C PRO A 54 14.691 -3.895 5.096 1.00 0.00 C ATOM 856 O PRO A 54 14.394 -3.435 3.994 1.00 0.00 O ATOM 857 CB PRO A 54 13.409 -5.034 6.928 1.00 0.00 C ATOM 858 CG PRO A 54 12.100 -5.394 6.313 1.00 0.00 C ATOM 859 CD PRO A 54 11.383 -4.093 6.077 1.00 0.00 C ATOM 0 HA PRO A 54 14.332 -3.028 6.966 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.166 -5.790 6.718 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.329 -4.956 8.012 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.244 -5.936 5.378 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.524 -6.043 6.972 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.755 -4.136 5.187 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.733 -3.835 6.913 1.00 0.00 H new ATOM 867 N GLU A 55 15.803 -4.590 5.315 1.00 0.00 N ATOM 868 CA GLU A 55 16.759 -4.856 4.247 1.00 0.00 C ATOM 869 C GLU A 55 16.358 -6.096 3.454 1.00 0.00 C ATOM 870 O GLU A 55 16.764 -6.272 2.304 1.00 0.00 O ATOM 871 CB GLU A 55 18.164 -5.039 4.824 1.00 0.00 C ATOM 872 CG GLU A 55 19.182 -5.526 3.806 1.00 0.00 C ATOM 873 CD GLU A 55 20.608 -5.422 4.311 1.00 0.00 C ATOM 874 OE1 GLU A 55 21.326 -4.499 3.871 1.00 0.00 O ATOM 875 OE2 GLU A 55 21.006 -6.262 5.144 1.00 0.00 O ATOM 0 H GLU A 55 16.064 -4.978 6.221 1.00 0.00 H new ATOM 0 HA GLU A 55 16.759 -3.999 3.573 1.00 0.00 H new ATOM 0 HB2 GLU A 55 18.503 -4.090 5.239 1.00 0.00 H new ATOM 0 HB3 GLU A 55 18.119 -5.750 5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 55 18.966 -6.563 3.550 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.082 -4.944 2.890 1.00 0.00 H new ATOM 882 N THR A 56 15.557 -6.956 4.076 1.00 0.00 N ATOM 883 CA THR A 56 15.101 -8.181 3.431 1.00 0.00 C ATOM 884 C THR A 56 14.022 -7.888 2.395 1.00 0.00 C ATOM 885 O THR A 56 14.078 -8.381 1.268 1.00 0.00 O ATOM 886 CB THR A 56 14.550 -9.186 4.459 1.00 0.00 C ATOM 887 OG1 THR A 56 13.273 -8.749 4.936 1.00 0.00 O ATOM 888 CG2 THR A 56 15.508 -9.342 5.631 1.00 0.00 C ATOM 0 H THR A 56 15.211 -6.826 5.027 1.00 0.00 H new ATOM 0 HA THR A 56 15.968 -8.618 2.935 1.00 0.00 H new ATOM 0 HB THR A 56 14.442 -10.153 3.967 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.703 -9.528 5.104 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.097 -10.057 6.344 1.00 0.00 H new ATOM 0 HG22 THR A 56 16.470 -9.703 5.269 1.00 0.00 H new ATOM 0 HG23 THR A 56 15.643 -8.378 6.121 1.00 0.00 H new ATOM 896 N VAL A 57 13.039 -7.081 2.783 1.00 0.00 N ATOM 897 CA VAL A 57 11.947 -6.721 1.887 1.00 0.00 C ATOM 898 C VAL A 57 12.469 -6.016 0.640 1.00 0.00 C ATOM 899 O VAL A 57 12.089 -6.353 -0.481 1.00 0.00 O ATOM 900 CB VAL A 57 10.923 -5.809 2.588 1.00 0.00 C ATOM 901 CG1 VAL A 57 9.844 -5.366 1.611 1.00 0.00 C ATOM 902 CG2 VAL A 57 10.309 -6.519 3.786 1.00 0.00 C ATOM 0 H VAL A 57 12.977 -6.664 3.712 1.00 0.00 H new ATOM 0 HA VAL A 57 11.456 -7.650 1.597 1.00 0.00 H new ATOM 0 HB VAL A 57 11.441 -4.920 2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.130 -4.722 2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.301 -4.816 0.788 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.327 -6.242 1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.588 -5.860 4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.805 -7.426 3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.094 -6.780 4.496 1.00 0.00 H new ATOM 912 N ARG A 58 13.342 -5.035 0.844 1.00 0.00 N ATOM 913 CA ARG A 58 13.917 -4.281 -0.264 1.00 0.00 C ATOM 914 C ARG A 58 14.509 -5.220 -1.311 1.00 0.00 C ATOM 915 O ARG A 58 14.330 -5.019 -2.513 1.00 0.00 O ATOM 916 CB ARG A 58 14.996 -3.325 0.247 1.00 0.00 C ATOM 917 CG ARG A 58 14.721 -1.866 -0.081 1.00 0.00 C ATOM 918 CD ARG A 58 15.876 -0.973 0.345 1.00 0.00 C ATOM 919 NE ARG A 58 15.456 0.045 1.304 1.00 0.00 N ATOM 920 CZ ARG A 58 14.860 1.180 0.957 1.00 0.00 C ATOM 921 NH1 ARG A 58 14.615 1.441 -0.320 1.00 0.00 N ATOM 922 NH2 ARG A 58 14.507 2.057 1.888 1.00 0.00 N ATOM 0 H ARG A 58 13.667 -4.744 1.766 1.00 0.00 H new ATOM 0 HA ARG A 58 13.119 -3.702 -0.729 1.00 0.00 H new ATOM 0 HB2 ARG A 58 15.085 -3.435 1.328 1.00 0.00 H new ATOM 0 HB3 ARG A 58 15.956 -3.611 -0.183 1.00 0.00 H new ATOM 0 HG2 ARG A 58 14.552 -1.758 -1.152 1.00 0.00 H new ATOM 0 HG3 ARG A 58 13.807 -1.545 0.420 1.00 0.00 H new ATOM 0 HD2 ARG A 58 16.663 -1.584 0.787 1.00 0.00 H new ATOM 0 HD3 ARG A 58 16.303 -0.489 -0.533 1.00 0.00 H new ATOM 0 HE ARG A 58 15.630 -0.125 2.295 1.00 0.00 H new ATOM 0 HH11 ARG A 58 14.884 0.769 -1.039 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.157 2.314 -0.583 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.693 1.860 2.871 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.049 2.928 1.620 1.00 0.00 H new ATOM 936 N LEU A 59 15.215 -6.245 -0.847 1.00 0.00 N ATOM 937 CA LEU A 59 15.834 -7.216 -1.744 1.00 0.00 C ATOM 938 C LEU A 59 14.784 -8.134 -2.361 1.00 0.00 C ATOM 939 O LEU A 59 14.752 -8.327 -3.576 1.00 0.00 O ATOM 940 CB LEU A 59 16.874 -8.046 -0.989 1.00 0.00 C ATOM 941 CG LEU A 59 17.743 -8.970 -1.842 1.00 0.00 C ATOM 942 CD1 LEU A 59 18.381 -8.198 -2.986 1.00 0.00 C ATOM 943 CD2 LEU A 59 18.809 -9.639 -0.987 1.00 0.00 C ATOM 0 H LEU A 59 15.373 -6.426 0.144 1.00 0.00 H new ATOM 0 HA LEU A 59 16.328 -6.669 -2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 59 17.528 -7.365 -0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 59 16.356 -8.652 -0.245 1.00 0.00 H new ATOM 0 HG LEU A 59 17.106 -9.746 -2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 59 18.996 -8.873 -3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 59 17.601 -7.768 -3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 59 19.004 -7.400 -2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 59 19.418 -10.293 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 59 19.443 -8.877 -0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 59 18.331 -10.227 -0.204 1.00 0.00 H new ATOM 955 N ALA A 60 13.927 -8.697 -1.516 1.00 0.00 N ATOM 956 CA ALA A 60 12.873 -9.591 -1.979 1.00 0.00 C ATOM 957 C ALA A 60 12.067 -8.953 -3.104 1.00 0.00 C ATOM 958 O ALA A 60 11.766 -9.598 -4.109 1.00 0.00 O ATOM 959 CB ALA A 60 11.960 -9.973 -0.823 1.00 0.00 C ATOM 0 H ALA A 60 13.942 -8.550 -0.507 1.00 0.00 H new ATOM 0 HA ALA A 60 13.342 -10.494 -2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.177 -10.641 -1.183 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.542 -10.478 -0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.506 -9.074 -0.405 1.00 0.00 H new ATOM 965 N LEU A 61 11.718 -7.683 -2.930 1.00 0.00 N ATOM 966 CA LEU A 61 10.945 -6.957 -3.931 1.00 0.00 C ATOM 967 C LEU A 61 11.785 -6.685 -5.175 1.00 0.00 C ATOM 968 O LEU A 61 11.308 -6.823 -6.302 1.00 0.00 O ATOM 969 CB LEU A 61 10.431 -5.639 -3.350 1.00 0.00 C ATOM 970 CG LEU A 61 9.131 -5.103 -3.951 1.00 0.00 C ATOM 971 CD1 LEU A 61 9.289 -4.870 -5.445 1.00 0.00 C ATOM 972 CD2 LEU A 61 7.982 -6.062 -3.677 1.00 0.00 C ATOM 0 H LEU A 61 11.958 -7.135 -2.104 1.00 0.00 H new ATOM 0 HA LEU A 61 10.095 -7.576 -4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.285 -5.770 -2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.206 -4.883 -3.477 1.00 0.00 H new ATOM 0 HG LEU A 61 8.902 -4.148 -3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.354 -4.489 -5.855 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.084 -4.144 -5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.543 -5.810 -5.935 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.065 -5.665 -4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.204 -7.032 -4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.853 -6.177 -2.601 1.00 0.00 H new ATOM 984 N LEU A 62 13.038 -6.299 -4.964 1.00 0.00 N ATOM 985 CA LEU A 62 13.946 -6.009 -6.068 1.00 0.00 C ATOM 986 C LEU A 62 14.076 -7.212 -6.996 1.00 0.00 C ATOM 987 O LEU A 62 14.171 -7.063 -8.215 1.00 0.00 O ATOM 988 CB LEU A 62 15.323 -5.613 -5.531 1.00 0.00 C ATOM 989 CG LEU A 62 15.468 -4.168 -5.054 1.00 0.00 C ATOM 990 CD1 LEU A 62 16.614 -4.046 -4.062 1.00 0.00 C ATOM 991 CD2 LEU A 62 15.681 -3.234 -6.236 1.00 0.00 C ATOM 0 H LEU A 62 13.449 -6.179 -4.038 1.00 0.00 H new ATOM 0 HA LEU A 62 13.532 -5.177 -6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.571 -6.275 -4.701 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.061 -5.792 -6.313 1.00 0.00 H new ATOM 0 HG LEU A 62 14.546 -3.878 -4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 62 16.702 -3.010 -3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.419 -4.685 -3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.543 -4.355 -4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 62 15.782 -2.210 -5.877 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.587 -3.523 -6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 62 14.827 -3.299 -6.910 1.00 0.00 H new ATOM 1003 N LYS A 63 14.078 -8.406 -6.413 1.00 0.00 N ATOM 1004 CA LYS A 63 14.192 -9.636 -7.187 1.00 0.00 C ATOM 1005 C LYS A 63 12.897 -9.929 -7.938 1.00 0.00 C ATOM 1006 O LYS A 63 12.918 -10.291 -9.115 1.00 0.00 O ATOM 1007 CB LYS A 63 14.537 -10.810 -6.268 1.00 0.00 C ATOM 1008 CG LYS A 63 16.017 -10.910 -5.938 1.00 0.00 C ATOM 1009 CD LYS A 63 16.745 -11.822 -6.911 1.00 0.00 C ATOM 1010 CE LYS A 63 18.106 -12.236 -6.374 1.00 0.00 C ATOM 1011 NZ LYS A 63 19.219 -11.651 -7.172 1.00 0.00 N ATOM 0 H LYS A 63 14.002 -8.548 -5.406 1.00 0.00 H new ATOM 0 HA LYS A 63 14.992 -9.504 -7.916 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.972 -10.713 -5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.215 -11.738 -6.741 1.00 0.00 H new ATOM 0 HG2 LYS A 63 16.465 -9.916 -5.965 1.00 0.00 H new ATOM 0 HG3 LYS A 63 16.140 -11.288 -4.923 1.00 0.00 H new ATOM 0 HD2 LYS A 63 16.142 -12.710 -7.100 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.869 -11.312 -7.866 1.00 0.00 H new ATOM 0 HE2 LYS A 63 18.198 -11.919 -5.335 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.185 -13.323 -6.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 20.130 -11.957 -6.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 19.146 -11.974 -8.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 19.159 -10.613 -7.142 1.00 0.00 H new ATOM 1025 N LEU A 64 11.771 -9.767 -7.251 1.00 0.00 N ATOM 1026 CA LEU A 64 10.465 -10.012 -7.854 1.00 0.00 C ATOM 1027 C LEU A 64 10.196 -9.029 -8.988 1.00 0.00 C ATOM 1028 O LEU A 64 9.663 -9.401 -10.033 1.00 0.00 O ATOM 1029 CB LEU A 64 9.365 -9.904 -6.797 1.00 0.00 C ATOM 1030 CG LEU A 64 8.714 -11.219 -6.369 1.00 0.00 C ATOM 1031 CD1 LEU A 64 8.007 -11.054 -5.032 1.00 0.00 C ATOM 1032 CD2 LEU A 64 7.740 -11.704 -7.432 1.00 0.00 C ATOM 0 H LEU A 64 11.736 -9.467 -6.277 1.00 0.00 H new ATOM 0 HA LEU A 64 10.466 -11.021 -8.266 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.785 -9.425 -5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.586 -9.243 -7.178 1.00 0.00 H new ATOM 0 HG LEU A 64 9.497 -11.968 -6.254 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.549 -12.000 -4.743 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.729 -10.754 -4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.235 -10.290 -5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.287 -12.641 -7.110 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.961 -10.956 -7.580 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.274 -11.863 -8.369 1.00 0.00 H new ATOM 1044 N SER A 65 10.570 -7.771 -8.775 1.00 0.00 N ATOM 1045 CA SER A 65 10.368 -6.733 -9.779 1.00 0.00 C ATOM 1046 C SER A 65 11.046 -7.108 -11.093 1.00 0.00 C ATOM 1047 O SER A 65 10.508 -6.864 -12.173 1.00 0.00 O ATOM 1048 CB SER A 65 10.911 -5.394 -9.275 1.00 0.00 C ATOM 1049 OG SER A 65 9.896 -4.640 -8.635 1.00 0.00 O ATOM 0 H SER A 65 11.014 -7.446 -7.916 1.00 0.00 H new ATOM 0 HA SER A 65 9.297 -6.639 -9.958 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.731 -5.570 -8.579 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.318 -4.825 -10.111 1.00 0.00 H new ATOM 0 HG SER A 65 10.297 -3.869 -8.183 1.00 0.00 H new ATOM 1055 N GLN A 66 12.231 -7.702 -10.992 1.00 0.00 N ATOM 1056 CA GLN A 66 12.984 -8.110 -12.172 1.00 0.00 C ATOM 1057 C GLN A 66 12.362 -9.345 -12.814 1.00 0.00 C ATOM 1058 O GLN A 66 12.429 -9.526 -14.030 1.00 0.00 O ATOM 1059 CB GLN A 66 14.441 -8.392 -11.801 1.00 0.00 C ATOM 1060 CG GLN A 66 15.311 -8.760 -12.991 1.00 0.00 C ATOM 1061 CD GLN A 66 16.779 -8.869 -12.629 1.00 0.00 C ATOM 1062 OE1 GLN A 66 17.641 -8.312 -13.310 1.00 0.00 O ATOM 1063 NE2 GLN A 66 17.072 -9.589 -11.553 1.00 0.00 N ATOM 0 H GLN A 66 12.690 -7.911 -10.105 1.00 0.00 H new ATOM 0 HA GLN A 66 12.952 -7.293 -12.893 1.00 0.00 H new ATOM 0 HB2 GLN A 66 14.860 -7.512 -11.314 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.472 -9.204 -11.074 1.00 0.00 H new ATOM 0 HG2 GLN A 66 14.971 -9.709 -13.405 1.00 0.00 H new ATOM 0 HG3 GLN A 66 15.188 -8.010 -13.772 1.00 0.00 H new ATOM 0 HE21 GLN A 66 16.326 -10.033 -11.018 1.00 0.00 H new ATOM 0 HE22 GLN A 66 18.043 -9.698 -11.261 1.00 0.00 H new ATOM 1072 N PHE A 67 11.756 -10.193 -11.989 1.00 0.00 N ATOM 1073 CA PHE A 67 11.123 -11.413 -12.477 1.00 0.00 C ATOM 1074 C PHE A 67 9.936 -11.087 -13.379 1.00 0.00 C ATOM 1075 O PHE A 67 9.801 -11.641 -14.470 1.00 0.00 O ATOM 1076 CB PHE A 67 10.662 -12.278 -11.302 1.00 0.00 C ATOM 1077 CG PHE A 67 9.826 -13.456 -11.716 1.00 0.00 C ATOM 1078 CD1 PHE A 67 8.452 -13.335 -11.847 1.00 0.00 C ATOM 1079 CD2 PHE A 67 10.414 -14.683 -11.974 1.00 0.00 C ATOM 1080 CE1 PHE A 67 7.680 -14.416 -12.228 1.00 0.00 C ATOM 1081 CE2 PHE A 67 9.647 -15.768 -12.356 1.00 0.00 C ATOM 1082 CZ PHE A 67 8.278 -15.634 -12.482 1.00 0.00 C ATOM 0 H PHE A 67 11.690 -10.058 -10.980 1.00 0.00 H new ATOM 0 HA PHE A 67 11.859 -11.966 -13.060 1.00 0.00 H new ATOM 0 HB2 PHE A 67 11.537 -12.636 -10.760 1.00 0.00 H new ATOM 0 HB3 PHE A 67 10.089 -11.661 -10.610 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.979 -12.385 -11.649 1.00 0.00 H new ATOM 0 HD2 PHE A 67 11.484 -14.794 -11.876 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.610 -14.308 -12.327 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.118 -16.719 -12.556 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.677 -16.481 -12.779 1.00 0.00 H new ATOM 1092 N TYR A 68 9.079 -10.185 -12.915 1.00 0.00 N ATOM 1093 CA TYR A 68 7.902 -9.786 -13.678 1.00 0.00 C ATOM 1094 C TYR A 68 8.294 -8.927 -14.876 1.00 0.00 C ATOM 1095 O TYR A 68 7.877 -9.188 -16.004 1.00 0.00 O ATOM 1096 CB TYR A 68 6.925 -9.020 -12.785 1.00 0.00 C ATOM 1097 CG TYR A 68 6.005 -9.915 -11.985 1.00 0.00 C ATOM 1098 CD1 TYR A 68 6.185 -10.084 -10.618 1.00 0.00 C ATOM 1099 CD2 TYR A 68 4.958 -10.591 -12.597 1.00 0.00 C ATOM 1100 CE1 TYR A 68 5.348 -10.902 -9.883 1.00 0.00 C ATOM 1101 CE2 TYR A 68 4.115 -11.410 -11.870 1.00 0.00 C ATOM 1102 CZ TYR A 68 4.314 -11.562 -10.514 1.00 0.00 C ATOM 1103 OH TYR A 68 3.477 -12.377 -9.787 1.00 0.00 O ATOM 0 H TYR A 68 9.177 -9.716 -12.014 1.00 0.00 H new ATOM 0 HA TYR A 68 7.416 -10.690 -14.046 1.00 0.00 H new ATOM 0 HB2 TYR A 68 7.491 -8.389 -12.099 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.323 -8.356 -13.405 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.993 -9.567 -10.121 1.00 0.00 H new ATOM 0 HD2 TYR A 68 4.800 -10.475 -13.659 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.502 -11.024 -8.821 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.305 -11.928 -12.361 1.00 0.00 H new ATOM 0 HH TYR A 68 2.802 -12.766 -10.381 1.00 0.00 H new ATOM 1113 N ALA A 69 9.100 -7.901 -14.622 1.00 0.00 N ATOM 1114 CA ALA A 69 9.552 -7.004 -15.678 1.00 0.00 C ATOM 1115 C ALA A 69 10.180 -7.784 -16.828 1.00 0.00 C ATOM 1116 O ALA A 69 10.150 -7.345 -17.979 1.00 0.00 O ATOM 1117 CB ALA A 69 10.541 -5.990 -15.123 1.00 0.00 C ATOM 0 H ALA A 69 9.453 -7.671 -13.693 1.00 0.00 H new ATOM 0 HA ALA A 69 8.683 -6.472 -16.065 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.870 -5.327 -15.923 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.060 -5.403 -14.340 1.00 0.00 H new ATOM 0 HB3 ALA A 69 11.403 -6.512 -14.707 1.00 0.00 H new ATOM 1123 N LEU A 70 10.749 -8.942 -16.511 1.00 0.00 N ATOM 1124 CA LEU A 70 11.385 -9.783 -17.519 1.00 0.00 C ATOM 1125 C LEU A 70 10.345 -10.405 -18.445 1.00 0.00 C ATOM 1126 O LEU A 70 10.491 -10.373 -19.667 1.00 0.00 O ATOM 1127 CB LEU A 70 12.209 -10.883 -16.847 1.00 0.00 C ATOM 1128 CG LEU A 70 12.818 -11.930 -17.780 1.00 0.00 C ATOM 1129 CD1 LEU A 70 13.710 -11.266 -18.818 1.00 0.00 C ATOM 1130 CD2 LEU A 70 13.602 -12.963 -16.983 1.00 0.00 C ATOM 0 H LEU A 70 10.783 -9.320 -15.564 1.00 0.00 H new ATOM 0 HA LEU A 70 12.046 -9.155 -18.116 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.016 -10.413 -16.285 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.574 -11.395 -16.124 1.00 0.00 H new ATOM 0 HG LEU A 70 12.008 -12.440 -18.300 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.135 -12.027 -19.473 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.121 -10.566 -19.410 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.515 -10.729 -18.316 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.028 -13.700 -17.663 1.00 0.00 H new ATOM 0 HD22 LEU A 70 14.404 -12.468 -16.435 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.936 -13.461 -16.279 1.00 0.00 H new ATOM 1142 N ILE A 71 9.296 -10.967 -17.855 1.00 0.00 N ATOM 1143 CA ILE A 71 8.231 -11.593 -18.628 1.00 0.00 C ATOM 1144 C ILE A 71 7.080 -10.621 -18.866 1.00 0.00 C ATOM 1145 O ILE A 71 5.947 -11.033 -19.109 1.00 0.00 O ATOM 1146 CB ILE A 71 7.688 -12.851 -17.923 1.00 0.00 C ATOM 1147 CG1 ILE A 71 7.126 -12.488 -16.547 1.00 0.00 C ATOM 1148 CG2 ILE A 71 8.782 -13.900 -17.794 1.00 0.00 C ATOM 1149 CD1 ILE A 71 6.556 -13.671 -15.796 1.00 0.00 C ATOM 0 H ILE A 71 9.161 -11.002 -16.845 1.00 0.00 H new ATOM 0 HA ILE A 71 8.664 -11.881 -19.586 1.00 0.00 H new ATOM 0 HB ILE A 71 6.881 -13.268 -18.526 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.916 -12.035 -15.949 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.347 -11.735 -16.669 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.383 -14.782 -17.294 1.00 0.00 H new ATOM 0 HG22 ILE A 71 9.140 -14.176 -18.786 1.00 0.00 H new ATOM 0 HG23 ILE A 71 9.608 -13.494 -17.210 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.176 -13.340 -14.830 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.744 -14.112 -16.374 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.337 -14.415 -15.643 1.00 0.00 H new ATOM 1161 N ASN A 72 7.381 -9.329 -18.795 1.00 0.00 N ATOM 1162 CA ASN A 72 6.372 -8.297 -19.004 1.00 0.00 C ATOM 1163 C ASN A 72 6.587 -7.587 -20.337 1.00 0.00 C ATOM 1164 O ASN A 72 5.635 -7.137 -20.974 1.00 0.00 O ATOM 1165 CB ASN A 72 6.408 -7.280 -17.861 1.00 0.00 C ATOM 1166 CG ASN A 72 5.339 -7.544 -16.818 1.00 0.00 C ATOM 1167 OD1 ASN A 72 4.864 -8.670 -16.671 1.00 0.00 O ATOM 1168 ND2 ASN A 72 4.955 -6.503 -16.088 1.00 0.00 N ATOM 0 H ASN A 72 8.315 -8.971 -18.594 1.00 0.00 H new ATOM 0 HA ASN A 72 5.395 -8.779 -19.023 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.389 -7.306 -17.386 1.00 0.00 H new ATOM 0 HB3 ASN A 72 6.276 -6.277 -18.267 1.00 0.00 H new ATOM 0 HD21 ASN A 72 4.239 -6.619 -15.371 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.376 -5.587 -16.244 1.00 0.00 H new ATOM 1175 N GLY A 73 7.845 -7.492 -20.755 1.00 0.00 N ATOM 1176 CA GLY A 73 8.163 -6.837 -22.010 1.00 0.00 C ATOM 1177 C GLY A 73 8.693 -7.804 -23.051 1.00 0.00 C ATOM 1178 O GLY A 73 8.683 -7.507 -24.246 1.00 0.00 O ATOM 0 H GLY A 73 8.650 -7.857 -20.247 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.270 -6.346 -22.396 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.904 -6.058 -21.832 1.00 0.00 H new ATOM 1182 N ASP A 74 9.159 -8.962 -22.597 1.00 0.00 N ATOM 1183 CA ASP A 74 9.696 -9.976 -23.497 1.00 0.00 C ATOM 1184 C ASP A 74 8.711 -10.281 -24.621 1.00 0.00 C ATOM 1185 O ASP A 74 7.528 -10.515 -24.376 1.00 0.00 O ATOM 1186 CB ASP A 74 10.020 -11.255 -22.724 1.00 0.00 C ATOM 1187 CG ASP A 74 10.753 -12.275 -23.573 1.00 0.00 C ATOM 1188 OD1 ASP A 74 11.093 -11.950 -24.730 1.00 0.00 O ATOM 1189 OD2 ASP A 74 10.989 -13.398 -23.080 1.00 0.00 O ATOM 0 H ASP A 74 9.176 -9.222 -21.611 1.00 0.00 H new ATOM 0 HA ASP A 74 10.613 -9.586 -23.938 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.628 -11.006 -21.854 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.095 -11.695 -22.351 1.00 0.00 H new ATOM 1194 N GLU A 75 9.208 -10.276 -25.854 1.00 0.00 N ATOM 1195 CA GLU A 75 8.370 -10.551 -27.016 1.00 0.00 C ATOM 1196 C GLU A 75 8.454 -12.022 -27.412 1.00 0.00 C ATOM 1197 O GLU A 75 8.450 -12.359 -28.596 1.00 0.00 O ATOM 1198 CB GLU A 75 8.790 -9.670 -28.195 1.00 0.00 C ATOM 1199 CG GLU A 75 7.636 -9.281 -29.104 1.00 0.00 C ATOM 1200 CD GLU A 75 8.089 -8.485 -30.313 1.00 0.00 C ATOM 1201 OE1 GLU A 75 9.141 -8.831 -30.890 1.00 0.00 O ATOM 1202 OE2 GLU A 75 7.393 -7.516 -30.680 1.00 0.00 O ATOM 0 H GLU A 75 10.185 -10.085 -26.074 1.00 0.00 H new ATOM 0 HA GLU A 75 7.338 -10.323 -26.750 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.261 -8.765 -27.812 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.542 -10.197 -28.782 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.122 -10.182 -29.439 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.914 -8.694 -28.537 1.00 0.00 H new ATOM 1209 N SER A 76 8.532 -12.895 -26.411 1.00 0.00 N ATOM 1210 CA SER A 76 8.621 -14.330 -26.654 1.00 0.00 C ATOM 1211 C SER A 76 7.821 -15.107 -25.614 1.00 0.00 C ATOM 1212 O SER A 76 8.117 -16.267 -25.326 1.00 0.00 O ATOM 1213 CB SER A 76 10.083 -14.782 -26.632 1.00 0.00 C ATOM 1214 OG SER A 76 10.217 -16.097 -27.141 1.00 0.00 O ATOM 0 H SER A 76 8.535 -12.633 -25.425 1.00 0.00 H new ATOM 0 HA SER A 76 8.199 -14.534 -27.638 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.688 -14.096 -27.224 1.00 0.00 H new ATOM 0 HB3 SER A 76 10.464 -14.743 -25.611 1.00 0.00 H new ATOM 0 HG SER A 76 9.531 -16.673 -26.744 1.00 0.00 H new ATOM 1220 N ILE A 77 6.805 -14.460 -25.053 1.00 0.00 N ATOM 1221 CA ILE A 77 5.960 -15.090 -24.046 1.00 0.00 C ATOM 1222 C ILE A 77 4.501 -14.685 -24.220 1.00 0.00 C ATOM 1223 O ILE A 77 4.203 -13.565 -24.639 1.00 0.00 O ATOM 1224 CB ILE A 77 6.416 -14.724 -22.621 1.00 0.00 C ATOM 1225 CG1 ILE A 77 7.906 -15.023 -22.446 1.00 0.00 C ATOM 1226 CG2 ILE A 77 5.594 -15.484 -21.591 1.00 0.00 C ATOM 1227 CD1 ILE A 77 8.472 -14.528 -21.133 1.00 0.00 C ATOM 0 H ILE A 77 6.547 -13.499 -25.279 1.00 0.00 H new ATOM 0 HA ILE A 77 6.054 -16.167 -24.184 1.00 0.00 H new ATOM 0 HB ILE A 77 6.258 -13.656 -22.468 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.063 -16.099 -22.517 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.459 -14.565 -23.266 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.928 -15.215 -20.589 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.541 -15.227 -21.704 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.724 -16.556 -21.741 1.00 0.00 H new ATOM 0 HD11 ILE A 77 9.532 -14.775 -21.078 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.347 -13.447 -21.067 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.945 -15.005 -20.307 1.00 0.00 H new ATOM 1443 N TYR A 91 3.243 -18.104 -18.611 1.00 0.00 N ATOM 1444 CA TYR A 91 4.298 -17.257 -19.154 1.00 0.00 C ATOM 1445 C TYR A 91 5.426 -18.100 -19.740 1.00 0.00 C ATOM 1446 O TYR A 91 6.598 -17.899 -19.422 1.00 0.00 O ATOM 1447 CB TYR A 91 4.849 -16.333 -18.066 1.00 0.00 C ATOM 1448 CG TYR A 91 3.778 -15.577 -17.314 1.00 0.00 C ATOM 1449 CD1 TYR A 91 3.399 -14.298 -17.703 1.00 0.00 C ATOM 1450 CD2 TYR A 91 3.145 -16.140 -16.213 1.00 0.00 C ATOM 1451 CE1 TYR A 91 2.421 -13.602 -17.018 1.00 0.00 C ATOM 1452 CE2 TYR A 91 2.165 -15.453 -15.523 1.00 0.00 C ATOM 1453 CZ TYR A 91 1.807 -14.185 -15.929 1.00 0.00 C ATOM 1454 OH TYR A 91 0.832 -13.496 -15.244 1.00 0.00 O ATOM 0 HA TYR A 91 3.869 -16.652 -19.953 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.429 -16.925 -17.358 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.535 -15.618 -18.521 1.00 0.00 H new ATOM 0 HD1 TYR A 91 3.877 -13.840 -18.556 1.00 0.00 H new ATOM 0 HD2 TYR A 91 3.424 -17.132 -15.891 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.139 -12.608 -17.333 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.682 -15.907 -14.670 1.00 0.00 H new ATOM 0 HH TYR A 91 0.500 -14.047 -14.505 1.00 0.00 H new ATOM 1464 N THR A 92 5.063 -19.045 -20.602 1.00 0.00 N ATOM 1465 CA THR A 92 6.042 -19.920 -21.234 1.00 0.00 C ATOM 1466 C THR A 92 7.162 -19.115 -21.881 1.00 0.00 C ATOM 1467 O THR A 92 6.916 -18.091 -22.520 1.00 0.00 O ATOM 1468 CB THR A 92 5.387 -20.817 -22.301 1.00 0.00 C ATOM 1469 OG1 THR A 92 4.317 -21.570 -21.720 1.00 0.00 O ATOM 1470 CG2 THR A 92 6.409 -21.765 -22.911 1.00 0.00 C ATOM 0 H THR A 92 4.098 -19.224 -20.878 1.00 0.00 H new ATOM 0 HA THR A 92 6.459 -20.549 -20.447 1.00 0.00 H new ATOM 0 HB THR A 92 4.992 -20.177 -23.090 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.905 -22.136 -22.406 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.924 -22.389 -23.662 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.207 -21.188 -23.379 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.829 -22.398 -22.130 1.00 0.00 H new ATOM 1478 N LEU A 93 8.394 -19.582 -21.712 1.00 0.00 N ATOM 1479 CA LEU A 93 9.554 -18.905 -22.280 1.00 0.00 C ATOM 1480 C LEU A 93 9.914 -19.491 -23.642 1.00 0.00 C ATOM 1481 O LEU A 93 9.173 -20.302 -24.195 1.00 0.00 O ATOM 1482 CB LEU A 93 10.750 -19.016 -21.333 1.00 0.00 C ATOM 1483 CG LEU A 93 10.510 -18.562 -19.892 1.00 0.00 C ATOM 1484 CD1 LEU A 93 11.803 -18.611 -19.094 1.00 0.00 C ATOM 1485 CD2 LEU A 93 9.918 -17.160 -19.867 1.00 0.00 C ATOM 0 H LEU A 93 8.615 -20.427 -21.186 1.00 0.00 H new ATOM 0 HA LEU A 93 9.300 -17.853 -22.412 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.079 -20.055 -21.315 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.570 -18.429 -21.746 1.00 0.00 H new ATOM 0 HG LEU A 93 9.797 -19.245 -19.430 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.612 -18.285 -18.072 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.186 -19.632 -19.084 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.540 -17.952 -19.554 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.754 -16.853 -18.834 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.607 -16.465 -20.347 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.968 -17.156 -20.402 1.00 0.00 H new ATOM 1497 N GLY A 94 11.058 -19.074 -24.176 1.00 0.00 N ATOM 1498 CA GLY A 94 11.497 -19.570 -25.468 1.00 0.00 C ATOM 1499 C GLY A 94 11.950 -21.015 -25.411 1.00 0.00 C ATOM 1500 O GLY A 94 12.009 -21.695 -26.436 1.00 0.00 O ATOM 0 H GLY A 94 11.688 -18.402 -23.738 1.00 0.00 H new ATOM 0 HA2 GLY A 94 10.682 -19.476 -26.186 1.00 0.00 H new ATOM 0 HA3 GLY A 94 12.316 -18.950 -25.833 1.00 0.00 H new ATOM 1504 N ASP A 95 12.274 -21.485 -24.211 1.00 0.00 N ATOM 1505 CA ASP A 95 12.725 -22.859 -24.025 1.00 0.00 C ATOM 1506 C ASP A 95 11.667 -23.685 -23.300 1.00 0.00 C ATOM 1507 O ASP A 95 11.982 -24.672 -22.636 1.00 0.00 O ATOM 1508 CB ASP A 95 14.037 -22.885 -23.239 1.00 0.00 C ATOM 1509 CG ASP A 95 15.077 -23.785 -23.877 1.00 0.00 C ATOM 1510 OD1 ASP A 95 16.119 -23.262 -24.325 1.00 0.00 O ATOM 1511 OD2 ASP A 95 14.849 -25.011 -23.928 1.00 0.00 O ATOM 0 H ASP A 95 12.233 -20.935 -23.353 1.00 0.00 H new ATOM 0 HA ASP A 95 12.891 -23.298 -25.009 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.433 -21.872 -23.166 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.841 -23.225 -22.222 1.00 0.00 H new ATOM 1516 N GLY A 96 10.409 -23.274 -23.433 1.00 0.00 N ATOM 1517 CA GLY A 96 9.324 -23.986 -22.784 1.00 0.00 C ATOM 1518 C GLY A 96 9.568 -24.191 -21.302 1.00 0.00 C ATOM 1519 O GLY A 96 9.191 -25.219 -20.740 1.00 0.00 O ATOM 0 H GLY A 96 10.123 -22.461 -23.978 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.396 -23.432 -22.923 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.191 -24.955 -23.264 1.00 0.00 H new ATOM 1523 N SER A 97 10.203 -23.211 -20.668 1.00 0.00 N ATOM 1524 CA SER A 97 10.503 -23.291 -19.243 1.00 0.00 C ATOM 1525 C SER A 97 9.480 -22.505 -18.428 1.00 0.00 C ATOM 1526 O SER A 97 9.183 -21.350 -18.732 1.00 0.00 O ATOM 1527 CB SER A 97 11.910 -22.759 -18.966 1.00 0.00 C ATOM 1528 OG SER A 97 12.686 -22.727 -20.151 1.00 0.00 O ATOM 0 H SER A 97 10.520 -22.352 -21.118 1.00 0.00 H new ATOM 0 HA SER A 97 10.453 -24.338 -18.944 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.846 -21.757 -18.542 1.00 0.00 H new ATOM 0 HB3 SER A 97 12.400 -23.388 -18.223 1.00 0.00 H new ATOM 0 HG SER A 97 13.580 -22.382 -19.947 1.00 0.00 H new ATOM 1534 N SER A 98 8.945 -23.141 -17.391 1.00 0.00 N ATOM 1535 CA SER A 98 7.953 -22.504 -16.533 1.00 0.00 C ATOM 1536 C SER A 98 8.619 -21.553 -15.544 1.00 0.00 C ATOM 1537 O SER A 98 8.901 -21.922 -14.403 1.00 0.00 O ATOM 1538 CB SER A 98 7.147 -23.562 -15.777 1.00 0.00 C ATOM 1539 OG SER A 98 7.953 -24.682 -15.454 1.00 0.00 O ATOM 0 H SER A 98 9.182 -24.097 -17.125 1.00 0.00 H new ATOM 0 HA SER A 98 7.279 -21.927 -17.166 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.738 -23.129 -14.864 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.301 -23.882 -16.385 1.00 0.00 H new ATOM 0 HG SER A 98 7.415 -25.343 -14.970 1.00 0.00 H new ATOM 1545 N LEU A 99 8.870 -20.326 -15.989 1.00 0.00 N ATOM 1546 CA LEU A 99 9.504 -19.320 -15.144 1.00 0.00 C ATOM 1547 C LEU A 99 8.714 -19.116 -13.855 1.00 0.00 C ATOM 1548 O LEU A 99 7.645 -18.507 -13.862 1.00 0.00 O ATOM 1549 CB LEU A 99 9.623 -17.995 -15.898 1.00 0.00 C ATOM 1550 CG LEU A 99 10.712 -17.040 -15.408 1.00 0.00 C ATOM 1551 CD1 LEU A 99 11.991 -17.233 -16.208 1.00 0.00 C ATOM 1552 CD2 LEU A 99 10.237 -15.597 -15.499 1.00 0.00 C ATOM 0 H LEU A 99 8.644 -20.004 -16.930 1.00 0.00 H new ATOM 0 HA LEU A 99 10.502 -19.674 -14.885 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.806 -18.214 -16.950 1.00 0.00 H new ATOM 0 HB3 LEU A 99 8.664 -17.480 -15.841 1.00 0.00 H new ATOM 0 HG LEU A 99 10.923 -17.267 -14.363 1.00 0.00 H new ATOM 0 HD11 LEU A 99 12.754 -16.545 -15.845 1.00 0.00 H new ATOM 0 HD12 LEU A 99 12.342 -18.258 -16.092 1.00 0.00 H new ATOM 0 HD13 LEU A 99 11.795 -17.034 -17.262 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.025 -14.932 -15.146 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.997 -15.358 -16.535 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.348 -15.467 -14.881 1.00 0.00 H new ATOM 1564 N GLN A 100 9.251 -19.626 -12.751 1.00 0.00 N ATOM 1565 CA GLN A 100 8.596 -19.498 -11.455 1.00 0.00 C ATOM 1566 C GLN A 100 9.176 -18.328 -10.666 1.00 0.00 C ATOM 1567 O GLN A 100 10.379 -18.070 -10.711 1.00 0.00 O ATOM 1568 CB GLN A 100 8.747 -20.792 -10.654 1.00 0.00 C ATOM 1569 CG GLN A 100 10.191 -21.223 -10.458 1.00 0.00 C ATOM 1570 CD GLN A 100 10.495 -21.616 -9.026 1.00 0.00 C ATOM 1571 OE1 GLN A 100 11.378 -21.043 -8.387 1.00 0.00 O ATOM 1572 NE2 GLN A 100 9.762 -22.597 -8.513 1.00 0.00 N ATOM 0 H GLN A 100 10.137 -20.131 -12.728 1.00 0.00 H new ATOM 0 HA GLN A 100 7.537 -19.307 -11.628 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.280 -20.661 -9.678 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.205 -21.589 -11.162 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.407 -22.065 -11.115 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.852 -20.409 -10.755 1.00 0.00 H new ATOM 0 HE21 GLN A 100 9.041 -23.044 -9.079 1.00 0.00 H new ATOM 0 HE22 GLN A 100 9.920 -22.904 -7.553 1.00 0.00 H new ATOM 1581 N LYS A 101 8.312 -17.622 -9.944 1.00 0.00 N ATOM 1582 CA LYS A 101 8.737 -16.479 -9.144 1.00 0.00 C ATOM 1583 C LYS A 101 9.901 -16.856 -8.233 1.00 0.00 C ATOM 1584 O LYS A 101 10.135 -18.027 -7.937 1.00 0.00 O ATOM 1585 CB LYS A 101 7.569 -15.955 -8.306 1.00 0.00 C ATOM 1586 CG LYS A 101 6.660 -15.000 -9.060 1.00 0.00 C ATOM 1587 CD LYS A 101 5.817 -14.166 -8.110 1.00 0.00 C ATOM 1588 CE LYS A 101 4.377 -14.653 -8.069 1.00 0.00 C ATOM 1589 NZ LYS A 101 4.211 -15.817 -7.156 1.00 0.00 N ATOM 0 H LYS A 101 7.313 -17.821 -9.896 1.00 0.00 H new ATOM 0 HA LYS A 101 9.069 -15.694 -9.824 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.980 -16.800 -7.951 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.963 -15.449 -7.425 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.262 -14.342 -9.687 1.00 0.00 H new ATOM 0 HG3 LYS A 101 6.008 -15.566 -9.725 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.245 -14.209 -7.109 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.840 -13.122 -8.422 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.728 -13.840 -7.743 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.059 -14.931 -9.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.823 -16.622 -7.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.135 -16.079 -6.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.560 -15.564 -6.386 1.00 0.00 H new ATOM 1603 N PRO A 102 10.649 -15.840 -7.777 1.00 0.00 N ATOM 1604 CA PRO A 102 11.800 -16.039 -6.892 1.00 0.00 C ATOM 1605 C PRO A 102 11.386 -16.490 -5.495 1.00 0.00 C ATOM 1606 O PRO A 102 10.334 -16.097 -4.992 1.00 0.00 O ATOM 1607 CB PRO A 102 12.449 -14.654 -6.836 1.00 0.00 C ATOM 1608 CG PRO A 102 11.340 -13.704 -7.131 1.00 0.00 C ATOM 1609 CD PRO A 102 10.428 -14.418 -8.090 1.00 0.00 C ATOM 0 HA PRO A 102 12.465 -16.821 -7.258 1.00 0.00 H new ATOM 0 HB2 PRO A 102 12.886 -14.461 -5.856 1.00 0.00 H new ATOM 0 HB3 PRO A 102 13.253 -14.564 -7.567 1.00 0.00 H new ATOM 0 HG2 PRO A 102 10.809 -13.428 -6.220 1.00 0.00 H new ATOM 0 HG3 PRO A 102 11.722 -12.782 -7.569 1.00 0.00 H new ATOM 0 HD2 PRO A 102 9.387 -14.131 -7.943 1.00 0.00 H new ATOM 0 HD3 PRO A 102 10.678 -14.191 -9.126 1.00 0.00 H new ATOM 1617 N ASP A 103 12.220 -17.317 -4.874 1.00 0.00 N ATOM 1618 CA ASP A 103 11.940 -17.821 -3.534 1.00 0.00 C ATOM 1619 C ASP A 103 12.347 -16.801 -2.475 1.00 0.00 C ATOM 1620 O ASP A 103 13.327 -16.994 -1.756 1.00 0.00 O ATOM 1621 CB ASP A 103 12.677 -19.140 -3.299 1.00 0.00 C ATOM 1622 CG ASP A 103 12.020 -20.306 -4.011 1.00 0.00 C ATOM 1623 OD1 ASP A 103 10.776 -20.307 -4.125 1.00 0.00 O ATOM 1624 OD2 ASP A 103 12.749 -21.216 -4.456 1.00 0.00 O ATOM 0 H ASP A 103 13.095 -17.653 -5.277 1.00 0.00 H new ATOM 0 HA ASP A 103 10.867 -17.994 -3.453 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.707 -19.043 -3.641 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.715 -19.346 -2.229 1.00 0.00 H new ATOM 1629 N VAL A 104 11.587 -15.714 -2.386 1.00 0.00 N ATOM 1630 CA VAL A 104 11.868 -14.663 -1.415 1.00 0.00 C ATOM 1631 C VAL A 104 11.040 -14.849 -0.149 1.00 0.00 C ATOM 1632 O VAL A 104 10.776 -13.892 0.580 1.00 0.00 O ATOM 1633 CB VAL A 104 11.583 -13.267 -2.001 1.00 0.00 C ATOM 1634 CG1 VAL A 104 12.364 -13.059 -3.289 1.00 0.00 C ATOM 1635 CG2 VAL A 104 10.091 -13.083 -2.236 1.00 0.00 C ATOM 0 H VAL A 104 10.772 -15.538 -2.974 1.00 0.00 H new ATOM 0 HA VAL A 104 12.927 -14.736 -1.167 1.00 0.00 H new ATOM 0 HB VAL A 104 11.910 -12.516 -1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 104 12.150 -12.068 -3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 104 13.431 -13.146 -3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 104 12.071 -13.815 -4.018 1.00 0.00 H new ATOM 0 HG21 VAL A 104 9.907 -12.092 -2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 104 9.737 -13.840 -2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 104 9.558 -13.186 -1.291 1.00 0.00 H new ATOM 1645 N TYR A 105 10.632 -16.087 0.108 1.00 0.00 N ATOM 1646 CA TYR A 105 9.832 -16.400 1.286 1.00 0.00 C ATOM 1647 C TYR A 105 10.669 -16.294 2.557 1.00 0.00 C ATOM 1648 O TYR A 105 10.201 -15.802 3.583 1.00 0.00 O ATOM 1649 CB TYR A 105 9.239 -17.805 1.168 1.00 0.00 C ATOM 1650 CG TYR A 105 8.538 -18.274 2.423 1.00 0.00 C ATOM 1651 CD1 TYR A 105 7.424 -17.603 2.912 1.00 0.00 C ATOM 1652 CD2 TYR A 105 8.991 -19.387 3.120 1.00 0.00 C ATOM 1653 CE1 TYR A 105 6.781 -18.028 4.059 1.00 0.00 C ATOM 1654 CE2 TYR A 105 8.353 -19.820 4.266 1.00 0.00 C ATOM 1655 CZ TYR A 105 7.249 -19.137 4.732 1.00 0.00 C ATOM 1656 OH TYR A 105 6.612 -19.564 5.874 1.00 0.00 O ATOM 0 H TYR A 105 10.842 -16.890 -0.484 1.00 0.00 H new ATOM 0 HA TYR A 105 9.021 -15.675 1.345 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.532 -17.823 0.339 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.036 -18.507 0.923 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.054 -16.735 2.387 1.00 0.00 H new ATOM 0 HD2 TYR A 105 9.857 -19.923 2.760 1.00 0.00 H new ATOM 0 HE1 TYR A 105 5.917 -17.495 4.426 1.00 0.00 H new ATOM 0 HE2 TYR A 105 8.717 -20.689 4.794 1.00 0.00 H new ATOM 0 HH TYR A 105 7.067 -20.358 6.225 1.00 0.00 H new ATOM 1666 N ALA A 106 11.911 -16.760 2.480 1.00 0.00 N ATOM 1667 CA ALA A 106 12.816 -16.717 3.622 1.00 0.00 C ATOM 1668 C ALA A 106 13.257 -15.287 3.919 1.00 0.00 C ATOM 1669 O ALA A 106 13.622 -14.961 5.049 1.00 0.00 O ATOM 1670 CB ALA A 106 14.026 -17.604 3.371 1.00 0.00 C ATOM 0 H ALA A 106 12.314 -17.172 1.638 1.00 0.00 H new ATOM 0 HA ALA A 106 12.280 -17.092 4.494 1.00 0.00 H new ATOM 0 HB1 ALA A 106 14.693 -17.562 4.232 1.00 0.00 H new ATOM 0 HB2 ALA A 106 13.698 -18.632 3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 106 14.556 -17.255 2.485 1.00 0.00 H new ATOM 1676 N LEU A 107 13.222 -14.439 2.897 1.00 0.00 N ATOM 1677 CA LEU A 107 13.620 -13.043 3.048 1.00 0.00 C ATOM 1678 C LEU A 107 12.601 -12.274 3.882 1.00 0.00 C ATOM 1679 O LEU A 107 12.952 -11.631 4.871 1.00 0.00 O ATOM 1680 CB LEU A 107 13.775 -12.385 1.676 1.00 0.00 C ATOM 1681 CG LEU A 107 14.999 -12.807 0.863 1.00 0.00 C ATOM 1682 CD1 LEU A 107 15.001 -12.122 -0.495 1.00 0.00 C ATOM 1683 CD2 LEU A 107 16.279 -12.491 1.624 1.00 0.00 C ATOM 0 H LEU A 107 12.922 -14.693 1.956 1.00 0.00 H new ATOM 0 HA LEU A 107 14.579 -13.018 3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 107 12.882 -12.601 1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 107 13.812 -11.305 1.816 1.00 0.00 H new ATOM 0 HG LEU A 107 14.951 -13.884 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 107 15.880 -12.435 -1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 107 14.100 -12.399 -1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 107 15.024 -11.041 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 107 17.140 -12.798 1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 107 16.333 -11.419 1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 107 16.281 -13.029 2.572 1.00 0.00 H new ATOM 1695 N ILE A 108 11.337 -12.346 3.477 1.00 0.00 N ATOM 1696 CA ILE A 108 10.267 -11.659 4.189 1.00 0.00 C ATOM 1697 C ILE A 108 9.848 -12.435 5.433 1.00 0.00 C ATOM 1698 O ILE A 108 8.989 -11.991 6.195 1.00 0.00 O ATOM 1699 CB ILE A 108 9.035 -11.450 3.288 1.00 0.00 C ATOM 1700 CG1 ILE A 108 8.493 -12.798 2.809 1.00 0.00 C ATOM 1701 CG2 ILE A 108 9.389 -10.564 2.103 1.00 0.00 C ATOM 1702 CD1 ILE A 108 7.134 -12.703 2.151 1.00 0.00 C ATOM 0 H ILE A 108 11.029 -12.873 2.660 1.00 0.00 H new ATOM 0 HA ILE A 108 10.659 -10.686 4.486 1.00 0.00 H new ATOM 0 HB ILE A 108 8.258 -10.952 3.869 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.200 -13.235 2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 108 8.430 -13.478 3.659 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.508 -10.426 1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.733 -9.595 2.463 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.179 -11.036 1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 108 6.812 -13.696 1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.414 -12.296 2.861 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.196 -12.049 1.281 1.00 0.00 H new ATOM 1714 N LYS A 109 10.461 -13.596 5.633 1.00 0.00 N ATOM 1715 CA LYS A 109 10.155 -14.435 6.786 1.00 0.00 C ATOM 1716 C LYS A 109 10.248 -13.634 8.081 1.00 0.00 C ATOM 1717 O LYS A 109 9.572 -13.943 9.063 1.00 0.00 O ATOM 1718 CB LYS A 109 11.111 -15.629 6.842 1.00 0.00 C ATOM 1719 CG LYS A 109 10.682 -16.705 7.825 1.00 0.00 C ATOM 1720 CD LYS A 109 11.828 -17.117 8.735 1.00 0.00 C ATOM 1721 CE LYS A 109 11.849 -16.292 10.013 1.00 0.00 C ATOM 1722 NZ LYS A 109 12.741 -16.889 11.044 1.00 0.00 N ATOM 0 H LYS A 109 11.174 -13.978 5.011 1.00 0.00 H new ATOM 0 HA LYS A 109 9.134 -14.800 6.678 1.00 0.00 H new ATOM 0 HB2 LYS A 109 11.190 -16.068 5.847 1.00 0.00 H new ATOM 0 HB3 LYS A 109 12.105 -15.275 7.114 1.00 0.00 H new ATOM 0 HG2 LYS A 109 9.851 -16.338 8.428 1.00 0.00 H new ATOM 0 HG3 LYS A 109 10.319 -17.575 7.278 1.00 0.00 H new ATOM 0 HD2 LYS A 109 11.734 -18.174 8.984 1.00 0.00 H new ATOM 0 HD3 LYS A 109 12.774 -16.997 8.207 1.00 0.00 H new ATOM 0 HE2 LYS A 109 12.183 -15.280 9.786 1.00 0.00 H new ATOM 0 HE3 LYS A 109 10.837 -16.212 10.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 12.728 -16.297 11.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 12.408 -17.846 11.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 13.712 -16.942 10.675 1.00 0.00 H new ATOM 1736 N ASP A 110 11.088 -12.605 8.076 1.00 0.00 N ATOM 1737 CA ASP A 110 11.268 -11.759 9.250 1.00 0.00 C ATOM 1738 C ASP A 110 9.940 -11.149 9.688 1.00 0.00 C ATOM 1739 O ASP A 110 9.751 -10.826 10.861 1.00 0.00 O ATOM 1740 CB ASP A 110 12.280 -10.650 8.955 1.00 0.00 C ATOM 1741 CG ASP A 110 13.710 -11.151 8.979 1.00 0.00 C ATOM 1742 OD1 ASP A 110 13.974 -12.224 8.396 1.00 0.00 O ATOM 1743 OD2 ASP A 110 14.567 -10.470 9.581 1.00 0.00 O ATOM 0 H ASP A 110 11.655 -12.336 7.272 1.00 0.00 H new ATOM 0 HA ASP A 110 11.647 -12.380 10.061 1.00 0.00 H new ATOM 0 HB2 ASP A 110 12.066 -10.217 7.978 1.00 0.00 H new ATOM 0 HB3 ASP A 110 12.165 -9.852 9.689 1.00 0.00 H new ATOM 1748 N TYR A 111 9.024 -10.993 8.738 1.00 0.00 N ATOM 1749 CA TYR A 111 7.715 -10.419 9.025 1.00 0.00 C ATOM 1750 C TYR A 111 6.599 -11.315 8.496 1.00 0.00 C ATOM 1751 O TYR A 111 5.573 -10.831 8.017 1.00 0.00 O ATOM 1752 CB TYR A 111 7.601 -9.024 8.408 1.00 0.00 C ATOM 1753 CG TYR A 111 8.577 -8.024 8.986 1.00 0.00 C ATOM 1754 CD1 TYR A 111 9.930 -8.086 8.677 1.00 0.00 C ATOM 1755 CD2 TYR A 111 8.146 -7.018 9.842 1.00 0.00 C ATOM 1756 CE1 TYR A 111 10.825 -7.175 9.203 1.00 0.00 C ATOM 1757 CE2 TYR A 111 9.034 -6.102 10.371 1.00 0.00 C ATOM 1758 CZ TYR A 111 10.372 -6.185 10.049 1.00 0.00 C ATOM 1759 OH TYR A 111 11.261 -5.275 10.576 1.00 0.00 O ATOM 0 H TYR A 111 9.164 -11.256 7.763 1.00 0.00 H new ATOM 0 HA TYR A 111 7.610 -10.340 10.107 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.763 -9.097 7.333 1.00 0.00 H new ATOM 0 HB3 TYR A 111 6.586 -8.654 8.553 1.00 0.00 H new ATOM 0 HD1 TYR A 111 10.288 -8.860 8.014 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.099 -6.951 10.098 1.00 0.00 H new ATOM 0 HE1 TYR A 111 11.874 -7.238 8.953 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.682 -5.325 11.033 1.00 0.00 H new ATOM 0 HH TYR A 111 10.780 -4.644 11.151 1.00 0.00 H new ATOM 1769 N VAL A 112 6.807 -12.624 8.587 1.00 0.00 N ATOM 1770 CA VAL A 112 5.820 -13.590 8.120 1.00 0.00 C ATOM 1771 C VAL A 112 5.259 -14.407 9.278 1.00 0.00 C ATOM 1772 O VAL A 112 6.002 -14.865 10.147 1.00 0.00 O ATOM 1773 CB VAL A 112 6.422 -14.547 7.074 1.00 0.00 C ATOM 1774 CG1 VAL A 112 5.459 -15.687 6.777 1.00 0.00 C ATOM 1775 CG2 VAL A 112 6.776 -13.792 5.802 1.00 0.00 C ATOM 0 H VAL A 112 7.651 -13.041 8.980 1.00 0.00 H new ATOM 0 HA VAL A 112 5.014 -13.020 7.658 1.00 0.00 H new ATOM 0 HB VAL A 112 7.338 -14.974 7.482 1.00 0.00 H new ATOM 0 HG11 VAL A 112 5.901 -16.353 6.036 1.00 0.00 H new ATOM 0 HG12 VAL A 112 5.261 -16.244 7.693 1.00 0.00 H new ATOM 0 HG13 VAL A 112 4.524 -15.282 6.389 1.00 0.00 H new ATOM 0 HG21 VAL A 112 7.200 -14.484 5.074 1.00 0.00 H new ATOM 0 HG22 VAL A 112 5.877 -13.335 5.388 1.00 0.00 H new ATOM 0 HG23 VAL A 112 7.505 -13.015 6.031 1.00 0.00 H new ATOM 1910 N ILE A 122 7.395 -32.672 17.344 1.00 0.00 N ATOM 1911 CA ILE A 122 7.495 -33.880 16.534 1.00 0.00 C ATOM 1912 C ILE A 122 8.065 -33.571 15.154 1.00 0.00 C ATOM 1913 O ILE A 122 7.860 -32.483 14.618 1.00 0.00 O ATOM 1914 CB ILE A 122 6.125 -34.564 16.371 1.00 0.00 C ATOM 1915 CG1 ILE A 122 5.453 -34.742 17.734 1.00 0.00 C ATOM 1916 CG2 ILE A 122 6.282 -35.906 15.672 1.00 0.00 C ATOM 1917 CD1 ILE A 122 4.257 -33.840 17.940 1.00 0.00 C ATOM 0 HA ILE A 122 8.169 -34.557 17.059 1.00 0.00 H new ATOM 0 HB ILE A 122 5.490 -33.928 15.755 1.00 0.00 H new ATOM 0 HG12 ILE A 122 5.138 -35.780 17.842 1.00 0.00 H new ATOM 0 HG13 ILE A 122 6.184 -34.547 18.519 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.305 -36.377 15.564 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.722 -35.754 14.686 1.00 0.00 H new ATOM 0 HG23 ILE A 122 6.932 -36.551 16.264 1.00 0.00 H new ATOM 0 HD11 ILE A 122 3.831 -34.020 18.927 1.00 0.00 H new ATOM 0 HD12 ILE A 122 4.569 -32.798 17.864 1.00 0.00 H new ATOM 0 HD13 ILE A 122 3.507 -34.050 17.177 1.00 0.00 H new ATOM 1929 N GLU A 123 8.779 -34.537 14.584 1.00 0.00 N ATOM 1930 CA GLU A 123 9.377 -34.368 13.265 1.00 0.00 C ATOM 1931 C GLU A 123 10.392 -33.228 13.271 1.00 0.00 C ATOM 1932 O GLU A 123 10.762 -32.707 12.219 1.00 0.00 O ATOM 1933 CB GLU A 123 8.293 -34.094 12.221 1.00 0.00 C ATOM 1934 CG GLU A 123 8.103 -35.230 11.229 1.00 0.00 C ATOM 1935 CD GLU A 123 7.597 -34.750 9.882 1.00 0.00 C ATOM 1936 OE1 GLU A 123 6.797 -35.476 9.257 1.00 0.00 O ATOM 1937 OE2 GLU A 123 8.001 -33.649 9.454 1.00 0.00 O ATOM 0 H GLU A 123 8.957 -35.444 15.015 1.00 0.00 H new ATOM 0 HA GLU A 123 9.895 -35.292 13.007 1.00 0.00 H new ATOM 0 HB2 GLU A 123 7.348 -33.906 12.731 1.00 0.00 H new ATOM 0 HB3 GLU A 123 8.547 -33.185 11.676 1.00 0.00 H new ATOM 0 HG2 GLU A 123 9.051 -35.750 11.092 1.00 0.00 H new ATOM 0 HG3 GLU A 123 7.399 -35.953 11.641 1.00 0.00 H new ATOM 1944 N ALA A 124 10.838 -32.847 14.463 1.00 0.00 N ATOM 1945 CA ALA A 124 11.811 -31.771 14.606 1.00 0.00 C ATOM 1946 C ALA A 124 13.226 -32.325 14.744 1.00 0.00 C ATOM 1947 O ALA A 124 14.161 -31.832 14.113 1.00 0.00 O ATOM 1948 CB ALA A 124 11.464 -30.902 15.805 1.00 0.00 C ATOM 0 H ALA A 124 10.541 -33.267 15.344 1.00 0.00 H new ATOM 0 HA ALA A 124 11.774 -31.159 13.705 1.00 0.00 H new ATOM 0 HB1 ALA A 124 12.199 -30.103 15.900 1.00 0.00 H new ATOM 0 HB2 ALA A 124 10.473 -30.469 15.666 1.00 0.00 H new ATOM 0 HB3 ALA A 124 11.471 -31.510 16.709 1.00 0.00 H new ATOM 1954 N LYS A 125 13.376 -33.352 15.572 1.00 0.00 N ATOM 1955 CA LYS A 125 14.676 -33.974 15.793 1.00 0.00 C ATOM 1956 C LYS A 125 15.038 -34.902 14.638 1.00 0.00 C ATOM 1957 O LYS A 125 16.207 -35.030 14.274 1.00 0.00 O ATOM 1958 CB LYS A 125 14.673 -34.757 17.108 1.00 0.00 C ATOM 1959 CG LYS A 125 16.063 -35.115 17.606 1.00 0.00 C ATOM 1960 CD LYS A 125 16.375 -34.431 18.927 1.00 0.00 C ATOM 1961 CE LYS A 125 16.755 -32.973 18.724 1.00 0.00 C ATOM 1962 NZ LYS A 125 16.028 -32.074 19.663 1.00 0.00 N ATOM 0 H LYS A 125 12.612 -33.772 16.102 1.00 0.00 H new ATOM 0 HA LYS A 125 15.424 -33.183 15.850 1.00 0.00 H new ATOM 0 HB2 LYS A 125 14.163 -34.168 17.871 1.00 0.00 H new ATOM 0 HB3 LYS A 125 14.097 -35.673 16.975 1.00 0.00 H new ATOM 0 HG2 LYS A 125 16.140 -36.195 17.728 1.00 0.00 H new ATOM 0 HG3 LYS A 125 16.804 -34.824 16.861 1.00 0.00 H new ATOM 0 HD2 LYS A 125 15.508 -34.494 19.584 1.00 0.00 H new ATOM 0 HD3 LYS A 125 17.191 -34.955 19.425 1.00 0.00 H new ATOM 0 HE2 LYS A 125 17.829 -32.855 18.866 1.00 0.00 H new ATOM 0 HE3 LYS A 125 16.535 -32.680 17.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 16.315 -31.089 19.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 15.004 -32.168 19.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 16.257 -32.337 20.643 1.00 0.00 H new ATOM 1976 N VAL A 126 14.028 -35.547 14.063 1.00 0.00 N ATOM 1977 CA VAL A 126 14.240 -36.461 12.947 1.00 0.00 C ATOM 1978 C VAL A 126 14.929 -35.757 11.783 1.00 0.00 C ATOM 1979 O VAL A 126 15.722 -36.361 11.062 1.00 0.00 O ATOM 1980 CB VAL A 126 12.911 -37.063 12.454 1.00 0.00 C ATOM 1981 CG1 VAL A 126 13.155 -38.026 11.302 1.00 0.00 C ATOM 1982 CG2 VAL A 126 12.185 -37.758 13.597 1.00 0.00 C ATOM 0 H VAL A 126 13.054 -35.453 14.352 1.00 0.00 H new ATOM 0 HA VAL A 126 14.880 -37.264 13.313 1.00 0.00 H new ATOM 0 HB VAL A 126 12.278 -36.253 12.090 1.00 0.00 H new ATOM 0 HG11 VAL A 126 12.204 -38.441 10.967 1.00 0.00 H new ATOM 0 HG12 VAL A 126 13.629 -37.494 10.477 1.00 0.00 H new ATOM 0 HG13 VAL A 126 13.807 -38.834 11.635 1.00 0.00 H new ATOM 0 HG21 VAL A 126 11.248 -38.178 13.231 1.00 0.00 H new ATOM 0 HG22 VAL A 126 12.811 -38.558 13.993 1.00 0.00 H new ATOM 0 HG23 VAL A 126 11.976 -37.037 14.387 1.00 0.00 H new ATOM 1992 N ARG A 127 14.620 -34.476 11.607 1.00 0.00 N ATOM 1993 CA ARG A 127 15.209 -33.689 10.531 1.00 0.00 C ATOM 1994 C ARG A 127 16.662 -33.343 10.842 1.00 0.00 C ATOM 1995 O ARG A 127 17.467 -33.129 9.936 1.00 0.00 O ATOM 1996 CB ARG A 127 14.404 -32.407 10.308 1.00 0.00 C ATOM 1997 CG ARG A 127 13.389 -32.513 9.181 1.00 0.00 C ATOM 1998 CD ARG A 127 13.947 -31.966 7.877 1.00 0.00 C ATOM 1999 NE ARG A 127 13.977 -30.506 7.864 1.00 0.00 N ATOM 2000 CZ ARG A 127 14.371 -29.788 6.818 1.00 0.00 C ATOM 2001 NH1 ARG A 127 14.764 -30.392 5.705 1.00 0.00 N ATOM 2002 NH2 ARG A 127 14.370 -28.462 6.884 1.00 0.00 N ATOM 0 H ARG A 127 13.965 -33.962 12.196 1.00 0.00 H new ATOM 0 HA ARG A 127 15.184 -34.288 9.621 1.00 0.00 H new ATOM 0 HB2 ARG A 127 13.884 -32.149 11.231 1.00 0.00 H new ATOM 0 HB3 ARG A 127 15.091 -31.590 10.091 1.00 0.00 H new ATOM 0 HG2 ARG A 127 13.101 -33.556 9.046 1.00 0.00 H new ATOM 0 HG3 ARG A 127 12.486 -31.965 9.450 1.00 0.00 H new ATOM 0 HD2 ARG A 127 14.955 -32.351 7.725 1.00 0.00 H new ATOM 0 HD3 ARG A 127 13.340 -32.323 7.045 1.00 0.00 H new ATOM 0 HE ARG A 127 13.679 -30.010 8.704 1.00 0.00 H new ATOM 0 HH11 ARG A 127 14.764 -31.411 5.650 1.00 0.00 H new ATOM 0 HH12 ARG A 127 15.066 -29.838 4.903 1.00 0.00 H new ATOM 0 HH21 ARG A 127 14.067 -27.994 7.738 1.00 0.00 H new ATOM 0 HH22 ARG A 127 14.673 -27.911 6.081 1.00 0.00 H new ATOM 2016 N MET A 128 16.989 -33.290 12.129 1.00 0.00 N ATOM 2017 CA MET A 128 18.345 -32.970 12.560 1.00 0.00 C ATOM 2018 C MET A 128 19.218 -34.221 12.580 1.00 0.00 C ATOM 2019 O MET A 128 20.246 -34.283 11.905 1.00 0.00 O ATOM 2020 CB MET A 128 18.324 -32.327 13.947 1.00 0.00 C ATOM 2021 CG MET A 128 19.538 -31.458 14.233 1.00 0.00 C ATOM 2022 SD MET A 128 20.444 -31.989 15.699 1.00 0.00 S ATOM 2023 CE MET A 128 20.740 -33.712 15.308 1.00 0.00 C ATOM 0 H MET A 128 16.334 -33.464 12.891 1.00 0.00 H new ATOM 0 HA MET A 128 18.769 -32.263 11.847 1.00 0.00 H new ATOM 0 HB2 MET A 128 17.423 -31.721 14.044 1.00 0.00 H new ATOM 0 HB3 MET A 128 18.263 -33.112 14.701 1.00 0.00 H new ATOM 0 HG2 MET A 128 20.205 -31.478 13.371 1.00 0.00 H new ATOM 0 HG3 MET A 128 19.217 -30.424 14.364 1.00 0.00 H new ATOM 0 HE1 MET A 128 21.505 -34.110 15.974 1.00 0.00 H new ATOM 0 HE2 MET A 128 19.817 -34.278 15.436 1.00 0.00 H new ATOM 0 HE3 MET A 128 21.078 -33.798 14.275 1.00 0.00 H new ATOM 2033 N ARG A 129 18.802 -35.215 13.358 1.00 0.00 N ATOM 2034 CA ARG A 129 19.548 -36.463 13.467 1.00 0.00 C ATOM 2035 C ARG A 129 19.813 -37.060 12.088 1.00 0.00 C ATOM 2036 O ARG A 129 20.836 -37.709 11.868 1.00 0.00 O ATOM 2037 CB ARG A 129 18.780 -37.467 14.329 1.00 0.00 C ATOM 2038 CG ARG A 129 19.253 -37.516 15.773 1.00 0.00 C ATOM 2039 CD ARG A 129 18.211 -38.153 16.679 1.00 0.00 C ATOM 2040 NE ARG A 129 18.484 -37.898 18.091 1.00 0.00 N ATOM 2041 CZ ARG A 129 19.457 -38.495 18.770 1.00 0.00 C ATOM 2042 NH1 ARG A 129 20.245 -39.377 18.170 1.00 0.00 N ATOM 2043 NH2 ARG A 129 19.643 -38.211 20.053 1.00 0.00 N ATOM 0 H ARG A 129 17.953 -35.180 13.922 1.00 0.00 H new ATOM 0 HA ARG A 129 20.505 -36.245 13.940 1.00 0.00 H new ATOM 0 HB2 ARG A 129 17.720 -37.213 14.311 1.00 0.00 H new ATOM 0 HB3 ARG A 129 18.877 -38.460 13.890 1.00 0.00 H new ATOM 0 HG2 ARG A 129 20.183 -38.081 15.833 1.00 0.00 H new ATOM 0 HG3 ARG A 129 19.470 -36.506 16.120 1.00 0.00 H new ATOM 0 HD2 ARG A 129 17.224 -37.766 16.425 1.00 0.00 H new ATOM 0 HD3 ARG A 129 18.186 -39.228 16.503 1.00 0.00 H new ATOM 0 HE ARG A 129 17.896 -37.225 18.582 1.00 0.00 H new ATOM 0 HH11 ARG A 129 20.105 -39.599 17.184 1.00 0.00 H new ATOM 0 HH12 ARG A 129 20.991 -39.834 18.694 1.00 0.00 H new ATOM 0 HH21 ARG A 129 19.039 -37.534 20.518 1.00 0.00 H new ATOM 0 HH22 ARG A 129 20.390 -38.670 20.574 1.00 0.00 H new ATOM 2057 N SER A 130 18.885 -36.835 11.163 1.00 0.00 N ATOM 2058 CA SER A 130 19.017 -37.354 9.806 1.00 0.00 C ATOM 2059 C SER A 130 19.263 -36.222 8.813 1.00 0.00 C ATOM 2060 O SER A 130 18.489 -36.025 7.876 1.00 0.00 O ATOM 2061 CB SER A 130 17.760 -38.131 9.411 1.00 0.00 C ATOM 2062 OG SER A 130 17.448 -39.123 10.374 1.00 0.00 O ATOM 0 H SER A 130 18.034 -36.297 11.328 1.00 0.00 H new ATOM 0 HA SER A 130 19.874 -38.027 9.782 1.00 0.00 H new ATOM 0 HB2 SER A 130 16.921 -37.443 9.309 1.00 0.00 H new ATOM 0 HB3 SER A 130 17.909 -38.599 8.438 1.00 0.00 H new ATOM 0 HG SER A 130 16.640 -39.604 10.098 1.00 0.00 H new