USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 724 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 116 ASN : amide:sc= -1.77 K(o=-2.7,f=-3.8) USER MOD Set 1.2: A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 119 HIS : no HE2:sc= -0.971 K(o=-2.7,f=-5.8) USER MOD Set 2.1: A 5 TYR OH : rot 64:sc= 0.072 USER MOD Set 2.2: A 57 TYR OH : rot -74:sc= 0.325 USER MOD Set 3.1: A 7 ASN : amide:sc= -5.07! C(o=-5.7!,f=-5.5!) USER MOD Set 3.2: A 10 THR OG1 : rot 180:sc= -0.67 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.188 K(o=-0.19,f=-2.4!) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 149:sc= 0.144 (180deg=0.0114) USER MOD Single : A 37 TYR OH : rot -2:sc= 1.04 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -133:sc= -8.78! (180deg=-11.8!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.186 K(o=-0.19,f=-2.5!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 136:sc= -0.255 (180deg=-0.762) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -166:sc= -1.32 (180deg=-2.23) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.00061 USER MOD Single : A 102 CYS SG : rot 180:sc= -5.37! USER MOD Single : A 105 SER OG : rot 180:sc= 0.00999 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot -4:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 4.115 7.902 30.641 1.00 3.92 N ATOM 2 CA PRO A 1 2.888 7.722 29.819 1.00 3.44 C ATOM 3 C PRO A 1 1.876 8.831 30.118 1.00 3.50 C ATOM 4 O PRO A 1 0.766 8.574 30.543 1.00 4.94 O ATOM 5 CB PRO A 1 2.350 6.364 30.257 1.00 2.00 C ATOM 6 CG PRO A 1 2.887 6.166 31.636 1.00 4.99 C ATOM 7 CD PRO A 1 4.205 6.893 31.700 1.00 3.38 C ATOM 0 H2 PRO A 1 4.114 8.834 31.056 1.00 3.92 H new ATOM 0 H3 PRO A 1 4.939 7.843 30.042 1.00 3.92 H new ATOM 0 HA PRO A 1 3.084 7.769 28.748 1.00 3.44 H new ATOM 0 HB2 PRO A 1 1.260 6.350 30.251 1.00 2.00 H new ATOM 0 HB3 PRO A 1 2.682 5.572 29.586 1.00 2.00 H new ATOM 0 HG2 PRO A 1 2.194 6.557 32.380 1.00 4.99 H new ATOM 0 HG3 PRO A 1 3.020 5.106 31.850 1.00 4.99 H new ATOM 0 HD2 PRO A 1 4.358 7.354 32.676 1.00 3.38 H new ATOM 0 HD3 PRO A 1 5.042 6.215 31.533 1.00 3.38 H new ATOM 17 N THR A 2 2.249 10.063 29.900 1.00 3.08 N ATOM 18 CA THR A 2 1.310 11.188 30.172 1.00 2.08 C ATOM 19 C THR A 2 0.921 11.884 28.864 1.00 2.52 C ATOM 20 O THR A 2 1.763 12.368 28.134 1.00 2.28 O ATOM 21 CB THR A 2 2.090 12.142 31.078 1.00 3.47 C ATOM 22 OG1 THR A 2 2.399 11.485 32.300 1.00 3.73 O ATOM 23 CG2 THR A 2 1.245 13.385 31.365 1.00 3.09 C ATOM 0 H THR A 2 3.165 10.339 29.545 1.00 3.08 H new ATOM 0 HA THR A 2 0.384 10.850 30.636 1.00 2.08 H new ATOM 0 HB THR A 2 3.013 12.441 30.581 1.00 3.47 H new ATOM 0 HG1 THR A 2 2.900 12.094 32.881 1.00 3.73 H new ATOM 0 HG21 THR A 2 1.803 14.063 32.011 1.00 3.09 H new ATOM 0 HG22 THR A 2 1.009 13.889 30.428 1.00 3.09 H new ATOM 0 HG23 THR A 2 0.321 13.090 31.861 1.00 3.09 H new ATOM 31 N VAL A 3 -0.348 11.933 28.564 1.00 10.00 N ATOM 32 CA VAL A 3 -0.792 12.597 27.304 1.00 10.00 C ATOM 33 C VAL A 3 -1.652 13.823 27.627 1.00 10.00 C ATOM 34 O VAL A 3 -2.728 13.709 28.178 1.00 10.00 O ATOM 35 CB VAL A 3 -1.621 11.540 26.573 1.00 10.00 C ATOM 36 CG1 VAL A 3 -2.029 12.071 25.197 1.00 10.00 C ATOM 37 CG2 VAL A 3 -0.789 10.268 26.400 1.00 10.00 C ATOM 0 H VAL A 3 -1.097 11.542 29.136 1.00 10.00 H new ATOM 0 HA VAL A 3 0.047 12.947 26.703 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.514 11.315 27.156 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.620 11.317 24.677 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.622 12.977 25.318 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.136 12.297 24.615 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -1.380 9.515 25.879 1.00 10.00 H new ATOM 0 HG22 VAL A 3 0.105 10.494 25.818 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -0.498 9.888 27.379 1.00 10.00 H new ATOM 47 N GLU A 4 -1.185 14.993 27.289 1.00 10.00 N ATOM 48 CA GLU A 4 -1.978 16.223 27.578 1.00 10.00 C ATOM 49 C GLU A 4 -3.038 16.437 26.494 1.00 10.00 C ATOM 50 O GLU A 4 -2.724 16.680 25.347 1.00 10.00 O ATOM 51 CB GLU A 4 -0.961 17.364 27.564 1.00 50.00 C ATOM 52 CG GLU A 4 -1.352 18.408 28.611 1.00 50.00 C ATOM 53 CD GLU A 4 -0.111 19.199 29.031 1.00 50.00 C ATOM 54 OE1 GLU A 4 0.984 18.721 28.782 1.00 50.00 O ATOM 55 OE2 GLU A 4 -0.276 20.268 29.596 1.00 50.00 O ATOM 0 H GLU A 4 -0.290 15.152 26.826 1.00 10.00 H new ATOM 0 HA GLU A 4 -2.505 16.159 28.530 1.00 10.00 H new ATOM 0 HB2 GLU A 4 0.037 16.979 27.774 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -0.925 17.821 26.575 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -2.106 19.082 28.204 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -1.796 17.920 29.479 1.00 50.00 H new ATOM 62 N TYR A 5 -4.291 16.349 26.848 1.00 10.00 N ATOM 63 CA TYR A 5 -5.365 16.551 25.833 1.00 10.00 C ATOM 64 C TYR A 5 -5.791 18.023 25.800 1.00 10.00 C ATOM 65 O TYR A 5 -5.896 18.672 26.821 1.00 10.00 O ATOM 66 CB TYR A 5 -6.521 15.659 26.291 1.00 10.00 C ATOM 67 CG TYR A 5 -7.043 16.142 27.623 1.00 10.00 C ATOM 68 CD1 TYR A 5 -8.001 17.162 27.670 1.00 10.00 C ATOM 69 CD2 TYR A 5 -6.573 15.567 28.810 1.00 10.00 C ATOM 70 CE1 TYR A 5 -8.489 17.607 28.904 1.00 50.00 C ATOM 71 CE2 TYR A 5 -7.061 16.013 30.044 1.00 50.00 C ATOM 72 CZ TYR A 5 -8.018 17.033 30.092 1.00 50.00 C ATOM 73 OH TYR A 5 -8.500 17.471 31.308 1.00 50.00 O ATOM 0 H TYR A 5 -4.617 16.147 27.793 1.00 10.00 H new ATOM 0 HA TYR A 5 -5.036 16.297 24.826 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -7.320 15.674 25.550 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -6.184 14.626 26.375 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -8.363 17.605 26.754 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -5.834 14.780 28.774 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -9.229 18.393 28.940 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -6.699 15.570 30.960 1.00 50.00 H new ATOM 0 HH TYR A 5 -9.459 17.277 31.369 1.00 50.00 H new ATOM 83 N LEU A 6 -6.031 18.554 24.631 1.00 10.00 N ATOM 84 CA LEU A 6 -6.442 19.985 24.529 1.00 10.00 C ATOM 85 C LEU A 6 -7.679 20.121 23.634 1.00 10.00 C ATOM 86 O LEU A 6 -7.685 19.691 22.498 1.00 10.00 O ATOM 87 CB LEU A 6 -5.245 20.692 23.892 1.00 12.50 C ATOM 88 CG LEU A 6 -4.915 21.962 24.681 1.00 12.50 C ATOM 89 CD1 LEU A 6 -3.797 22.727 23.970 1.00 50.00 C ATOM 90 CD2 LEU A 6 -6.158 22.849 24.765 1.00 50.00 C ATOM 0 H LEU A 6 -5.960 18.059 23.742 1.00 10.00 H new ATOM 0 HA LEU A 6 -6.703 20.409 25.498 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -4.382 20.026 23.879 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -5.469 20.944 22.855 1.00 12.50 H new ATOM 0 HG LEU A 6 -4.592 21.690 25.686 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -3.561 23.631 24.531 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -2.909 22.098 23.906 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -4.123 22.998 22.966 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -5.923 23.753 25.327 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -6.480 23.120 23.760 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -6.958 22.307 25.269 1.00 50.00 H new ATOM 102 N ASN A 7 -8.726 20.718 24.136 1.00 10.00 N ATOM 103 CA ASN A 7 -9.959 20.882 23.314 1.00 10.00 C ATOM 104 C ASN A 7 -9.660 21.712 22.064 1.00 10.00 C ATOM 105 O ASN A 7 -9.154 22.813 22.144 1.00 10.00 O ATOM 106 CB ASN A 7 -10.942 21.626 24.218 1.00 10.00 C ATOM 107 CG ASN A 7 -12.274 21.801 23.489 1.00 10.00 C ATOM 108 OD1 ASN A 7 -12.635 20.997 22.653 1.00 12.50 O ATOM 109 ND2 ASN A 7 -13.028 22.828 23.773 1.00 12.50 N ATOM 0 H ASN A 7 -8.781 21.099 25.080 1.00 10.00 H new ATOM 0 HA ASN A 7 -10.354 19.925 22.975 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -11.092 21.071 25.144 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -10.535 22.599 24.492 1.00 10.00 H new ATOM 0 HD21 ASN A 7 -13.919 22.955 23.293 1.00 12.50 H new ATOM 0 HD22 ASN A 7 -12.726 23.504 24.475 1.00 12.50 H new ATOM 116 N TYR A 8 -9.978 21.197 20.907 1.00 50.00 N ATOM 117 CA TYR A 8 -9.719 21.966 19.659 1.00 50.00 C ATOM 118 C TYR A 8 -10.517 23.271 19.685 1.00 50.00 C ATOM 119 O TYR A 8 -10.082 24.288 19.183 1.00 50.00 O ATOM 120 CB TYR A 8 -10.203 21.062 18.526 1.00 50.00 C ATOM 121 CG TYR A 8 -9.992 21.758 17.203 1.00 50.00 C ATOM 122 CD1 TYR A 8 -10.926 22.698 16.749 1.00 50.00 C ATOM 123 CD2 TYR A 8 -8.863 21.464 16.431 1.00 50.00 C ATOM 124 CE1 TYR A 8 -10.730 23.342 15.522 1.00 50.00 C ATOM 125 CE2 TYR A 8 -8.666 22.109 15.204 1.00 50.00 C ATOM 126 CZ TYR A 8 -9.601 23.048 14.749 1.00 50.00 C ATOM 127 OH TYR A 8 -9.407 23.682 13.539 1.00 50.00 O ATOM 0 H TYR A 8 -10.404 20.280 20.773 1.00 50.00 H new ATOM 0 HA TYR A 8 -8.668 22.231 19.541 1.00 50.00 H new ATOM 0 HB2 TYR A 8 -9.660 20.117 18.543 1.00 50.00 H new ATOM 0 HB3 TYR A 8 -11.258 20.825 18.661 1.00 50.00 H new ATOM 0 HD1 TYR A 8 -11.797 22.926 17.346 1.00 50.00 H new ATOM 0 HD2 TYR A 8 -8.143 20.739 16.782 1.00 50.00 H new ATOM 0 HE1 TYR A 8 -11.450 24.066 15.171 1.00 50.00 H new ATOM 0 HE2 TYR A 8 -7.794 21.883 14.609 1.00 50.00 H new ATOM 0 HH TYR A 8 -8.574 23.363 13.132 1.00 50.00 H new ATOM 137 N GLU A 9 -11.682 23.248 20.276 1.00 25.00 N ATOM 138 CA GLU A 9 -12.507 24.487 20.344 1.00 25.00 C ATOM 139 C GLU A 9 -11.782 25.545 21.177 1.00 25.00 C ATOM 140 O GLU A 9 -11.870 26.727 20.913 1.00 25.00 O ATOM 141 CB GLU A 9 -13.807 24.059 21.026 1.00 50.00 C ATOM 142 CG GLU A 9 -15.000 24.600 20.235 1.00 50.00 C ATOM 143 CD GLU A 9 -15.669 25.725 21.025 1.00 50.00 C ATOM 144 OE1 GLU A 9 -14.994 26.698 21.319 1.00 50.00 O ATOM 145 OE2 GLU A 9 -16.845 25.596 21.324 1.00 50.00 O ATOM 0 H GLU A 9 -12.097 22.425 20.714 1.00 25.00 H new ATOM 0 HA GLU A 9 -12.691 24.923 19.362 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -13.859 22.972 21.084 1.00 50.00 H new ATOM 0 HB3 GLU A 9 -13.835 24.435 22.049 1.00 50.00 H new ATOM 0 HG2 GLU A 9 -14.669 24.970 19.265 1.00 50.00 H new ATOM 0 HG3 GLU A 9 -15.716 23.800 20.044 1.00 50.00 H new ATOM 152 N THR A 10 -11.060 25.126 22.181 1.00 50.00 N ATOM 153 CA THR A 10 -10.322 26.105 23.029 1.00 50.00 C ATOM 154 C THR A 10 -9.272 26.834 22.188 1.00 50.00 C ATOM 155 O THR A 10 -8.915 27.963 22.463 1.00 50.00 O ATOM 156 CB THR A 10 -9.649 25.261 24.114 1.00 50.00 C ATOM 157 OG1 THR A 10 -10.629 24.824 25.045 1.00 50.00 O ATOM 158 CG2 THR A 10 -8.594 26.101 24.834 1.00 50.00 C ATOM 0 H THR A 10 -10.949 24.148 22.450 1.00 50.00 H new ATOM 0 HA THR A 10 -10.977 26.865 23.454 1.00 50.00 H new ATOM 0 HB THR A 10 -9.169 24.395 23.658 1.00 50.00 H new ATOM 0 HG1 THR A 10 -10.201 24.282 25.740 1.00 50.00 H new ATOM 0 HG21 THR A 10 -8.115 25.499 25.607 1.00 50.00 H new ATOM 0 HG22 THR A 10 -7.844 26.435 24.117 1.00 50.00 H new ATOM 0 HG23 THR A 10 -9.070 26.968 25.292 1.00 50.00 H new ATOM 166 N LEU A 11 -8.776 26.197 21.164 1.00 50.00 N ATOM 167 CA LEU A 11 -7.753 26.851 20.301 1.00 50.00 C ATOM 168 C LEU A 11 -8.400 27.959 19.468 1.00 50.00 C ATOM 169 O LEU A 11 -7.907 29.067 19.401 1.00 50.00 O ATOM 170 CB LEU A 11 -7.228 25.734 19.397 1.00 50.00 C ATOM 171 CG LEU A 11 -5.770 26.020 19.027 1.00 50.00 C ATOM 172 CD1 LEU A 11 -5.642 27.461 18.526 1.00 50.00 C ATOM 173 CD2 LEU A 11 -4.885 25.827 20.259 1.00 50.00 C ATOM 0 H LEU A 11 -9.035 25.250 20.887 1.00 50.00 H new ATOM 0 HA LEU A 11 -6.954 27.314 20.880 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -7.303 24.773 19.907 1.00 50.00 H new ATOM 0 HB3 LEU A 11 -7.836 25.665 18.495 1.00 50.00 H new ATOM 0 HG LEU A 11 -5.454 25.334 18.241 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -4.604 27.664 18.263 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -6.273 27.598 17.648 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -5.958 28.148 19.311 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -3.847 26.030 19.997 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -5.202 26.512 21.045 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -4.975 24.801 20.614 1.00 50.00 H new ATOM 185 N ASP A 12 -9.505 27.669 18.836 1.00 50.00 N ATOM 186 CA ASP A 12 -10.186 28.707 18.010 1.00 50.00 C ATOM 187 C ASP A 12 -10.957 29.673 18.912 1.00 50.00 C ATOM 188 O ASP A 12 -10.886 30.875 18.755 1.00 50.00 O ATOM 189 CB ASP A 12 -11.147 27.932 17.109 1.00 50.00 C ATOM 190 CG ASP A 12 -10.348 27.026 16.169 1.00 50.00 C ATOM 191 OD1 ASP A 12 -9.168 27.278 15.996 1.00 50.00 O ATOM 192 OD2 ASP A 12 -10.932 26.094 15.638 1.00 50.00 O ATOM 0 H ASP A 12 -9.965 26.759 18.856 1.00 50.00 H new ATOM 0 HA ASP A 12 -9.481 29.304 17.432 1.00 50.00 H new ATOM 0 HB2 ASP A 12 -11.828 27.335 17.715 1.00 50.00 H new ATOM 0 HB3 ASP A 12 -11.759 28.625 16.531 1.00 50.00 H new ATOM 197 N ASP A 13 -11.695 29.156 19.856 1.00 50.00 N ATOM 198 CA ASP A 13 -12.470 30.045 20.769 1.00 50.00 C ATOM 199 C ASP A 13 -11.539 31.070 21.423 1.00 50.00 C ATOM 200 O ASP A 13 -11.727 32.264 21.294 1.00 50.00 O ATOM 201 CB ASP A 13 -13.061 29.109 21.822 1.00 50.00 C ATOM 202 CG ASP A 13 -13.999 29.899 22.738 1.00 50.00 C ATOM 203 OD1 ASP A 13 -14.744 30.718 22.225 1.00 50.00 O ATOM 204 OD2 ASP A 13 -13.957 29.671 23.935 1.00 50.00 O ATOM 0 H ASP A 13 -11.795 28.157 20.035 1.00 50.00 H new ATOM 0 HA ASP A 13 -13.242 30.607 20.244 1.00 50.00 H new ATOM 0 HB2 ASP A 13 -13.605 28.298 21.339 1.00 50.00 H new ATOM 0 HB3 ASP A 13 -12.263 28.653 22.407 1.00 50.00 H new ATOM 209 N GLN A 14 -10.538 30.614 22.125 1.00 50.00 N ATOM 210 CA GLN A 14 -9.598 31.563 22.786 1.00 50.00 C ATOM 211 C GLN A 14 -8.809 32.345 21.732 1.00 50.00 C ATOM 212 O GLN A 14 -8.120 33.298 22.038 1.00 50.00 O ATOM 213 CB GLN A 14 -8.662 30.683 23.614 1.00 50.00 C ATOM 214 CG GLN A 14 -9.471 29.937 24.676 1.00 50.00 C ATOM 215 CD GLN A 14 -9.616 30.819 25.918 1.00 50.00 C ATOM 216 OE1 GLN A 14 -10.140 31.912 25.844 1.00 50.00 O ATOM 217 NE2 GLN A 14 -9.168 30.386 27.066 1.00 50.00 N ATOM 0 H GLN A 14 -10.330 29.626 22.269 1.00 50.00 H new ATOM 0 HA GLN A 14 -10.117 32.297 23.403 1.00 50.00 H new ATOM 0 HB2 GLN A 14 -8.147 29.972 22.968 1.00 50.00 H new ATOM 0 HB3 GLN A 14 -7.895 31.295 24.089 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -10.454 29.678 24.284 1.00 50.00 H new ATOM 0 HG3 GLN A 14 -8.975 29.002 24.936 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -8.728 29.468 27.128 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -9.258 30.966 27.900 1.00 50.00 H new ATOM 226 N GLY A 15 -8.905 31.949 20.492 1.00 50.00 N ATOM 227 CA GLY A 15 -8.162 32.669 19.420 1.00 50.00 C ATOM 228 C GLY A 15 -6.657 32.518 19.649 1.00 50.00 C ATOM 229 O GLY A 15 -5.894 33.443 19.453 1.00 50.00 O ATOM 0 H GLY A 15 -9.466 31.158 20.175 1.00 50.00 H new ATOM 0 HA2 GLY A 15 -8.434 32.268 18.443 1.00 50.00 H new ATOM 0 HA3 GLY A 15 -8.436 33.724 19.419 1.00 50.00 H new ATOM 233 N TRP A 16 -6.223 31.359 20.062 1.00 50.00 N ATOM 234 CA TRP A 16 -4.765 31.153 20.302 1.00 50.00 C ATOM 235 C TRP A 16 -4.129 30.436 19.107 1.00 50.00 C ATOM 236 O TRP A 16 -4.794 30.099 18.148 1.00 50.00 O ATOM 237 CB TRP A 16 -4.690 30.278 21.554 1.00 50.00 C ATOM 238 CG TRP A 16 -4.280 31.114 22.724 1.00 50.00 C ATOM 239 CD1 TRP A 16 -3.388 32.130 22.677 1.00 50.00 C ATOM 240 CD2 TRP A 16 -4.728 31.027 24.107 1.00 50.00 C ATOM 241 NE1 TRP A 16 -3.259 32.673 23.943 1.00 50.00 N ATOM 242 CE2 TRP A 16 -4.066 32.027 24.860 1.00 50.00 C ATOM 243 CE3 TRP A 16 -5.637 30.187 24.776 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -4.296 32.186 26.227 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -5.871 30.345 26.153 1.00 50.00 C ATOM 246 CH2 TRP A 16 -5.202 31.342 26.876 1.00 50.00 C ATOM 0 H TRP A 16 -6.813 30.547 20.244 1.00 50.00 H new ATOM 0 HA TRP A 16 -4.230 32.094 20.430 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -5.658 29.815 21.746 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -3.975 29.469 21.403 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -2.862 32.463 21.795 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -2.644 33.454 24.171 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -6.158 29.416 24.228 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -3.778 32.956 26.780 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -6.570 29.694 26.657 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -5.386 31.458 27.934 1.00 50.00 H new ATOM 257 N ASP A 17 -2.845 30.203 19.157 1.00 50.00 N ATOM 258 CA ASP A 17 -2.170 29.509 18.023 1.00 50.00 C ATOM 259 C ASP A 17 -2.165 27.996 18.259 1.00 50.00 C ATOM 260 O ASP A 17 -2.680 27.510 19.248 1.00 50.00 O ATOM 261 CB ASP A 17 -0.742 30.055 18.019 1.00 50.00 C ATOM 262 CG ASP A 17 -0.762 31.534 17.632 1.00 50.00 C ATOM 263 OD1 ASP A 17 -1.783 32.168 17.842 1.00 50.00 O ATOM 264 OD2 ASP A 17 0.244 32.009 17.133 1.00 50.00 O ATOM 0 H ASP A 17 -2.235 30.463 19.933 1.00 50.00 H new ATOM 0 HA ASP A 17 -2.675 29.681 17.073 1.00 50.00 H new ATOM 0 HB2 ASP A 17 -0.292 29.932 19.004 1.00 50.00 H new ATOM 0 HB3 ASP A 17 -0.128 29.492 17.315 1.00 50.00 H new ATOM 269 N MET A 18 -1.589 27.247 17.360 1.00 50.00 N ATOM 270 CA MET A 18 -1.551 25.766 17.535 1.00 50.00 C ATOM 271 C MET A 18 -0.499 25.381 18.577 1.00 50.00 C ATOM 272 O MET A 18 -0.771 24.649 19.508 1.00 50.00 O ATOM 273 CB MET A 18 -1.169 25.215 16.161 1.00 50.00 C ATOM 274 CG MET A 18 -2.421 25.107 15.287 1.00 50.00 C ATOM 275 SD MET A 18 -1.933 24.941 13.551 1.00 50.00 S ATOM 276 CE MET A 18 -3.016 23.549 13.144 1.00 50.00 C ATOM 0 H MET A 18 -1.143 27.595 16.512 1.00 50.00 H new ATOM 0 HA MET A 18 -2.504 25.368 17.885 1.00 50.00 H new ATOM 0 HB2 MET A 18 -0.437 25.868 15.686 1.00 50.00 H new ATOM 0 HB3 MET A 18 -0.701 24.236 16.267 1.00 50.00 H new ATOM 0 HG2 MET A 18 -3.017 24.247 15.592 1.00 50.00 H new ATOM 0 HG3 MET A 18 -3.046 25.991 15.417 1.00 50.00 H new ATOM 0 HE1 MET A 18 -2.877 23.274 12.099 1.00 50.00 H new ATOM 0 HE2 MET A 18 -2.769 22.698 13.779 1.00 50.00 H new ATOM 0 HE3 MET A 18 -4.055 23.836 13.309 1.00 50.00 H new ATOM 286 N ASP A 19 0.703 25.868 18.430 1.00 50.00 N ATOM 287 CA ASP A 19 1.771 25.527 19.413 1.00 50.00 C ATOM 288 C ASP A 19 2.626 26.761 19.716 1.00 50.00 C ATOM 289 O ASP A 19 3.635 26.679 20.388 1.00 50.00 O ATOM 290 CB ASP A 19 2.610 24.448 18.727 1.00 50.00 C ATOM 291 CG ASP A 19 2.671 23.207 19.620 1.00 50.00 C ATOM 292 OD1 ASP A 19 2.575 23.363 20.825 1.00 50.00 O ATOM 293 OD2 ASP A 19 2.814 22.121 19.081 1.00 50.00 O ATOM 0 H ASP A 19 0.992 26.487 17.672 1.00 50.00 H new ATOM 0 HA ASP A 19 1.363 25.183 20.364 1.00 50.00 H new ATOM 0 HB2 ASP A 19 2.175 24.193 17.761 1.00 50.00 H new ATOM 0 HB3 ASP A 19 3.616 24.821 18.535 1.00 50.00 H new ATOM 298 N ASP A 20 2.229 27.905 19.228 1.00 50.00 N ATOM 299 CA ASP A 20 3.019 29.143 19.490 1.00 50.00 C ATOM 300 C ASP A 20 2.938 29.514 20.972 1.00 50.00 C ATOM 301 O ASP A 20 3.941 29.677 21.638 1.00 50.00 O ATOM 302 CB ASP A 20 2.358 30.222 18.631 1.00 50.00 C ATOM 303 CG ASP A 20 3.382 31.309 18.301 1.00 50.00 C ATOM 304 OD1 ASP A 20 4.093 31.720 19.204 1.00 50.00 O ATOM 305 OD2 ASP A 20 3.440 31.711 17.151 1.00 50.00 O ATOM 0 H ASP A 20 1.392 28.036 18.660 1.00 50.00 H new ATOM 0 HA ASP A 20 4.075 29.020 19.249 1.00 50.00 H new ATOM 0 HB2 ASP A 20 1.969 29.783 17.712 1.00 50.00 H new ATOM 0 HB3 ASP A 20 1.510 30.655 19.161 1.00 50.00 H new ATOM 310 N ASP A 21 1.749 29.651 21.492 1.00 50.00 N ATOM 311 CA ASP A 21 1.602 30.013 22.931 1.00 50.00 C ATOM 312 C ASP A 21 1.815 28.780 23.812 1.00 50.00 C ATOM 313 O ASP A 21 1.805 28.862 25.023 1.00 50.00 O ATOM 314 CB ASP A 21 0.168 30.525 23.067 1.00 50.00 C ATOM 315 CG ASP A 21 0.033 31.324 24.363 1.00 50.00 C ATOM 316 OD1 ASP A 21 1.017 31.429 25.076 1.00 50.00 O ATOM 317 OD2 ASP A 21 -1.052 31.819 24.620 1.00 50.00 O ATOM 0 H ASP A 21 0.873 29.528 20.983 1.00 50.00 H new ATOM 0 HA ASP A 21 2.333 30.758 23.245 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -0.088 31.151 22.213 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -0.530 29.688 23.069 1.00 50.00 H new ATOM 322 N ASP A 22 2.009 27.639 23.212 1.00 50.00 N ATOM 323 CA ASP A 22 2.221 26.403 24.017 1.00 50.00 C ATOM 324 C ASP A 22 1.129 26.277 25.082 1.00 50.00 C ATOM 325 O ASP A 22 1.404 26.092 26.250 1.00 50.00 O ATOM 326 CB ASP A 22 3.594 26.581 24.666 1.00 50.00 C ATOM 327 CG ASP A 22 4.649 26.783 23.577 1.00 50.00 C ATOM 328 OD1 ASP A 22 4.513 27.727 22.816 1.00 50.00 O ATOM 329 OD2 ASP A 22 5.574 25.990 23.521 1.00 50.00 O ATOM 0 H ASP A 22 2.030 27.508 22.201 1.00 50.00 H new ATOM 0 HA ASP A 22 2.177 25.499 23.410 1.00 50.00 H new ATOM 0 HB2 ASP A 22 3.582 27.438 25.339 1.00 50.00 H new ATOM 0 HB3 ASP A 22 3.840 25.706 25.268 1.00 50.00 H new ATOM 334 N LEU A 23 -0.107 26.377 24.681 1.00 50.00 N ATOM 335 CA LEU A 23 -1.223 26.263 25.665 1.00 50.00 C ATOM 336 C LEU A 23 -0.995 25.057 26.581 1.00 50.00 C ATOM 337 O LEU A 23 -1.217 25.118 27.773 1.00 50.00 O ATOM 338 CB LEU A 23 -2.482 26.058 24.821 1.00 50.00 C ATOM 339 CG LEU A 23 -2.651 27.231 23.852 1.00 50.00 C ATOM 340 CD1 LEU A 23 -4.055 27.191 23.244 1.00 50.00 C ATOM 341 CD2 LEU A 23 -2.459 28.549 24.604 1.00 50.00 C ATOM 0 H LEU A 23 -0.395 26.533 23.715 1.00 50.00 H new ATOM 0 HA LEU A 23 -1.300 27.143 26.303 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -2.411 25.123 24.266 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -3.356 25.979 25.468 1.00 50.00 H new ATOM 0 HG LEU A 23 -1.908 27.155 23.058 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -4.177 28.026 22.554 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -4.192 26.253 22.706 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -4.798 27.266 24.038 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -2.580 29.383 23.913 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -3.201 28.626 25.399 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -1.459 28.578 25.037 1.00 50.00 H new ATOM 353 N PHE A 24 -0.550 23.961 26.029 1.00 50.00 N ATOM 354 CA PHE A 24 -0.304 22.750 26.863 1.00 50.00 C ATOM 355 C PHE A 24 0.504 23.131 28.102 1.00 50.00 C ATOM 356 O PHE A 24 0.470 22.459 29.114 1.00 50.00 O ATOM 357 CB PHE A 24 0.502 21.808 25.966 1.00 50.00 C ATOM 358 CG PHE A 24 -0.417 21.165 24.953 1.00 50.00 C ATOM 359 CD1 PHE A 24 -1.236 20.095 25.330 1.00 50.00 C ATOM 360 CD2 PHE A 24 -0.447 21.639 23.635 1.00 50.00 C ATOM 361 CE1 PHE A 24 -2.086 19.499 24.391 1.00 50.00 C ATOM 362 CE2 PHE A 24 -1.297 21.043 22.695 1.00 50.00 C ATOM 363 CZ PHE A 24 -2.117 19.973 23.074 1.00 50.00 C ATOM 0 H PHE A 24 -0.346 23.852 25.036 1.00 50.00 H new ATOM 0 HA PHE A 24 -1.228 22.287 27.210 1.00 50.00 H new ATOM 0 HB2 PHE A 24 1.291 22.361 25.457 1.00 50.00 H new ATOM 0 HB3 PHE A 24 0.988 21.041 26.570 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -1.212 19.729 26.346 1.00 50.00 H new ATOM 0 HD2 PHE A 24 0.186 22.464 23.344 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -2.718 18.673 24.683 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -1.320 21.408 21.679 1.00 50.00 H new ATOM 0 HZ PHE A 24 -2.774 19.513 22.350 1.00 50.00 H new ATOM 373 N GLU A 25 1.229 24.212 28.026 1.00 50.00 N ATOM 374 CA GLU A 25 2.043 24.649 29.197 1.00 50.00 C ATOM 375 C GLU A 25 1.469 25.940 29.784 1.00 50.00 C ATOM 376 O GLU A 25 1.365 26.098 30.984 1.00 50.00 O ATOM 377 CB GLU A 25 3.445 24.888 28.639 1.00 50.00 C ATOM 378 CG GLU A 25 4.415 23.871 29.245 1.00 50.00 C ATOM 379 CD GLU A 25 4.663 24.216 30.715 1.00 50.00 C ATOM 380 OE1 GLU A 25 4.609 25.389 31.046 1.00 50.00 O ATOM 381 OE2 GLU A 25 4.902 23.301 31.486 1.00 50.00 O ATOM 0 H GLU A 25 1.294 24.813 27.204 1.00 50.00 H new ATOM 0 HA GLU A 25 2.046 23.910 29.998 1.00 50.00 H new ATOM 0 HB2 GLU A 25 3.436 24.796 27.553 1.00 50.00 H new ATOM 0 HB3 GLU A 25 3.772 25.902 28.870 1.00 50.00 H new ATOM 0 HG2 GLU A 25 4.004 22.865 29.161 1.00 50.00 H new ATOM 0 HG3 GLU A 25 5.356 23.878 28.695 1.00 50.00 H new ATOM 388 N LYS A 26 1.091 26.866 28.945 1.00 50.00 N ATOM 389 CA LYS A 26 0.522 28.146 29.455 1.00 50.00 C ATOM 390 C LYS A 26 -0.948 27.953 29.832 1.00 50.00 C ATOM 391 O LYS A 26 -1.442 28.545 30.771 1.00 50.00 O ATOM 392 CB LYS A 26 0.656 29.133 28.294 1.00 50.00 C ATOM 393 CG LYS A 26 1.587 30.277 28.701 1.00 50.00 C ATOM 394 CD LYS A 26 3.018 29.751 28.825 1.00 50.00 C ATOM 395 CE LYS A 26 3.981 30.730 28.150 1.00 50.00 C ATOM 396 NZ LYS A 26 4.030 30.295 26.727 1.00 50.00 N ATOM 0 H LYS A 26 1.152 26.792 27.930 1.00 50.00 H new ATOM 0 HA LYS A 26 1.036 28.501 30.348 1.00 50.00 H new ATOM 0 HB2 LYS A 26 1.050 28.625 27.414 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -0.324 29.526 28.022 1.00 50.00 H new ATOM 0 HG2 LYS A 26 1.545 31.075 27.960 1.00 50.00 H new ATOM 0 HG3 LYS A 26 1.262 30.705 29.649 1.00 50.00 H new ATOM 0 HD2 LYS A 26 3.283 29.630 29.875 1.00 50.00 H new ATOM 0 HD3 LYS A 26 3.097 28.768 28.361 1.00 50.00 H new ATOM 0 HE2 LYS A 26 3.627 31.757 28.238 1.00 50.00 H new ATOM 0 HE3 LYS A 26 4.969 30.693 28.609 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 4.194 31.121 26.117 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 4.803 29.611 26.599 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 3.127 29.849 26.469 1.00 50.00 H new ATOM 410 N ALA A 27 -1.649 27.126 29.109 1.00 50.00 N ATOM 411 CA ALA A 27 -3.086 26.891 29.430 1.00 50.00 C ATOM 412 C ALA A 27 -3.211 26.259 30.817 1.00 50.00 C ATOM 413 O ALA A 27 -4.266 26.255 31.419 1.00 50.00 O ATOM 414 CB ALA A 27 -3.582 25.928 28.352 1.00 50.00 C ATOM 0 H ALA A 27 -1.291 26.603 28.310 1.00 50.00 H new ATOM 0 HA ALA A 27 -3.667 27.813 29.444 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -4.636 25.706 28.520 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -3.460 26.386 27.371 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -3.005 25.004 28.396 1.00 50.00 H new ATOM 420 N ALA A 28 -2.136 25.725 31.329 1.00 50.00 N ATOM 421 CA ALA A 28 -2.185 25.095 32.678 1.00 50.00 C ATOM 422 C ALA A 28 -2.345 26.170 33.753 1.00 50.00 C ATOM 423 O ALA A 28 -2.938 25.946 34.789 1.00 50.00 O ATOM 424 CB ALA A 28 -0.844 24.378 32.830 1.00 50.00 C ATOM 0 H ALA A 28 -1.225 25.698 30.871 1.00 50.00 H new ATOM 0 HA ALA A 28 -3.026 24.410 32.785 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -0.802 23.887 33.802 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -0.739 23.632 32.042 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -0.033 25.103 32.754 1.00 50.00 H new ATOM 430 N ASP A 29 -1.820 27.339 33.511 1.00 50.00 N ATOM 431 CA ASP A 29 -1.939 28.434 34.517 1.00 50.00 C ATOM 432 C ASP A 29 -3.379 28.954 34.563 1.00 50.00 C ATOM 433 O ASP A 29 -3.840 29.445 35.574 1.00 50.00 O ATOM 434 CB ASP A 29 -0.991 29.528 34.023 1.00 50.00 C ATOM 435 CG ASP A 29 -0.405 30.274 35.223 1.00 50.00 C ATOM 436 OD1 ASP A 29 -1.167 30.923 35.921 1.00 50.00 O ATOM 437 OD2 ASP A 29 0.794 30.184 35.424 1.00 50.00 O ATOM 0 H ASP A 29 -1.313 27.584 32.660 1.00 50.00 H new ATOM 0 HA ASP A 29 -1.689 28.100 35.524 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -0.190 29.089 33.428 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -1.526 30.222 33.375 1.00 50.00 H new ATOM 442 N ALA A 30 -4.090 28.851 33.474 1.00 50.00 N ATOM 443 CA ALA A 30 -5.499 29.340 33.452 1.00 50.00 C ATOM 444 C ALA A 30 -6.417 28.355 34.177 1.00 50.00 C ATOM 445 O ALA A 30 -7.188 28.726 35.040 1.00 50.00 O ATOM 446 CB ALA A 30 -5.867 29.420 31.970 1.00 50.00 C ATOM 0 H ALA A 30 -3.757 28.449 32.598 1.00 50.00 H new ATOM 0 HA ALA A 30 -5.607 30.301 33.954 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -6.893 29.773 31.868 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -5.193 30.112 31.465 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -5.777 28.432 31.519 1.00 50.00 H new ATOM 452 N GLY A 31 -6.341 27.102 33.830 1.00 50.00 N ATOM 453 CA GLY A 31 -7.208 26.089 34.494 1.00 50.00 C ATOM 454 C GLY A 31 -8.485 25.901 33.673 1.00 50.00 C ATOM 455 O GLY A 31 -9.573 25.815 34.207 1.00 50.00 O ATOM 0 H GLY A 31 -5.715 26.734 33.114 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -6.677 25.141 34.584 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -7.456 26.412 35.505 1.00 50.00 H new ATOM 459 N LEU A 32 -8.362 25.836 32.374 1.00 50.00 N ATOM 460 CA LEU A 32 -9.569 25.654 31.518 1.00 50.00 C ATOM 461 C LEU A 32 -10.393 24.462 32.010 1.00 50.00 C ATOM 462 O LEU A 32 -10.069 23.839 33.002 1.00 50.00 O ATOM 463 CB LEU A 32 -9.022 25.384 30.115 1.00 50.00 C ATOM 464 CG LEU A 32 -9.119 26.658 29.274 1.00 50.00 C ATOM 465 CD1 LEU A 32 -7.755 26.966 28.656 1.00 50.00 C ATOM 466 CD2 LEU A 32 -10.150 26.455 28.161 1.00 50.00 C ATOM 0 H LEU A 32 -7.478 25.901 31.869 1.00 50.00 H new ATOM 0 HA LEU A 32 -10.225 26.524 31.540 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -7.985 25.054 30.175 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -9.586 24.580 29.642 1.00 50.00 H new ATOM 0 HG LEU A 32 -9.426 27.490 29.907 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -7.824 27.874 28.057 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -7.020 27.109 29.448 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -7.447 26.135 28.022 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -10.221 27.362 27.561 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -9.842 25.623 27.527 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -11.122 26.235 28.602 1.00 50.00 H new ATOM 478 N ASP A 33 -11.455 24.140 31.324 1.00 50.00 N ATOM 479 CA ASP A 33 -12.299 22.988 31.752 1.00 50.00 C ATOM 480 C ASP A 33 -11.512 21.680 31.620 1.00 50.00 C ATOM 481 O ASP A 33 -10.756 21.492 30.689 1.00 50.00 O ATOM 482 CB ASP A 33 -13.491 22.995 30.794 1.00 50.00 C ATOM 483 CG ASP A 33 -14.678 23.693 31.462 1.00 50.00 C ATOM 484 OD1 ASP A 33 -14.747 23.666 32.679 1.00 50.00 O ATOM 485 OD2 ASP A 33 -15.498 24.243 30.745 1.00 50.00 O ATOM 0 H ASP A 33 -11.775 24.625 30.486 1.00 50.00 H new ATOM 0 HA ASP A 33 -12.612 23.068 32.793 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -13.226 23.509 29.870 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -13.761 21.974 30.524 1.00 50.00 H new ATOM 490 N GLY A 34 -11.682 20.777 32.547 1.00 50.00 N ATOM 491 CA GLY A 34 -10.943 19.485 32.473 1.00 50.00 C ATOM 492 C GLY A 34 -11.453 18.676 31.280 1.00 50.00 C ATOM 493 O GLY A 34 -10.731 17.899 30.689 1.00 50.00 O ATOM 0 H GLY A 34 -12.300 20.878 33.352 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -9.874 19.670 32.370 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -11.082 18.921 33.395 1.00 50.00 H new ATOM 497 N GLU A 35 -12.695 18.854 30.920 1.00 50.00 N ATOM 498 CA GLU A 35 -13.250 18.098 29.762 1.00 50.00 C ATOM 499 C GLU A 35 -12.677 18.645 28.453 1.00 50.00 C ATOM 500 O GLU A 35 -12.966 18.149 27.382 1.00 50.00 O ATOM 501 CB GLU A 35 -14.760 18.331 29.824 1.00 50.00 C ATOM 502 CG GLU A 35 -15.354 17.543 30.993 1.00 50.00 C ATOM 503 CD GLU A 35 -16.525 18.325 31.592 1.00 50.00 C ATOM 504 OE1 GLU A 35 -16.278 19.158 32.448 1.00 50.00 O ATOM 505 OE2 GLU A 35 -17.647 18.077 31.184 1.00 50.00 O ATOM 0 H GLU A 35 -13.349 19.490 31.377 1.00 50.00 H new ATOM 0 HA GLU A 35 -12.999 17.038 29.801 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -14.969 19.394 29.945 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -15.225 18.019 28.889 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -15.693 16.565 30.651 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -14.592 17.369 31.753 1.00 50.00 H new ATOM 512 N ASP A 36 -11.868 19.668 28.529 1.00 50.00 N ATOM 513 CA ASP A 36 -11.280 20.248 27.289 1.00 50.00 C ATOM 514 C ASP A 36 -9.751 20.197 27.347 1.00 50.00 C ATOM 515 O ASP A 36 -9.103 19.723 26.435 1.00 50.00 O ATOM 516 CB ASP A 36 -11.766 21.699 27.267 1.00 50.00 C ATOM 517 CG ASP A 36 -13.099 21.781 26.520 1.00 50.00 C ATOM 518 OD1 ASP A 36 -13.347 20.915 25.696 1.00 50.00 O ATOM 519 OD2 ASP A 36 -13.849 22.707 26.784 1.00 50.00 O ATOM 0 H ASP A 36 -11.590 20.126 29.397 1.00 50.00 H new ATOM 0 HA ASP A 36 -11.579 19.699 26.396 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -11.885 22.069 28.285 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -11.025 22.334 26.781 1.00 50.00 H new ATOM 524 N TYR A 37 -9.167 20.684 28.407 1.00 12.50 N ATOM 525 CA TYR A 37 -7.680 20.662 28.512 1.00 12.50 C ATOM 526 C TYR A 37 -7.251 20.046 29.844 1.00 12.50 C ATOM 527 O TYR A 37 -7.907 20.205 30.855 1.00 12.50 O ATOM 528 CB TYR A 37 -7.255 22.128 28.436 1.00 12.50 C ATOM 529 CG TYR A 37 -5.808 22.252 28.846 1.00 12.50 C ATOM 530 CD1 TYR A 37 -4.838 21.443 28.242 1.00 50.00 C ATOM 531 CD2 TYR A 37 -5.435 23.175 29.829 1.00 50.00 C ATOM 532 CE1 TYR A 37 -3.496 21.556 28.621 1.00 50.00 C ATOM 533 CE2 TYR A 37 -4.092 23.289 30.210 1.00 50.00 C ATOM 534 CZ TYR A 37 -3.123 22.480 29.604 1.00 12.50 C ATOM 535 OH TYR A 37 -1.800 22.593 29.979 1.00 50.00 O ATOM 0 H TYR A 37 -9.653 21.095 29.204 1.00 12.50 H new ATOM 0 HA TYR A 37 -7.220 20.064 27.725 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -7.391 22.505 27.423 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -7.883 22.734 29.089 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -5.126 20.731 27.483 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -6.183 23.800 30.294 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -2.748 20.931 28.155 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -3.804 24.000 30.970 1.00 50.00 H new ATOM 0 HH TYR A 37 -1.262 21.941 29.482 1.00 50.00 H new ATOM 545 N GLY A 38 -6.150 19.345 29.855 1.00 10.00 N ATOM 546 CA GLY A 38 -5.676 18.720 31.121 1.00 10.00 C ATOM 547 C GLY A 38 -4.689 17.598 30.795 1.00 10.00 C ATOM 548 O GLY A 38 -4.649 17.093 29.690 1.00 10.00 O ATOM 0 H GLY A 38 -5.558 19.178 29.041 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -5.197 19.469 31.752 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -6.522 18.324 31.683 1.00 10.00 H new ATOM 552 N THR A 39 -3.891 17.202 31.748 1.00 10.00 N ATOM 553 CA THR A 39 -2.906 16.112 31.492 1.00 10.00 C ATOM 554 C THR A 39 -3.585 14.746 31.621 1.00 10.00 C ATOM 555 O THR A 39 -4.118 14.403 32.658 1.00 10.00 O ATOM 556 CB THR A 39 -1.837 16.285 32.573 1.00 50.00 C ATOM 557 OG1 THR A 39 -1.501 17.661 32.687 1.00 50.00 O ATOM 558 CG2 THR A 39 -0.590 15.483 32.196 1.00 50.00 C ATOM 0 H THR A 39 -3.878 17.586 32.693 1.00 10.00 H new ATOM 0 HA THR A 39 -2.483 16.162 30.489 1.00 10.00 H new ATOM 0 HB THR A 39 -2.223 15.923 33.526 1.00 50.00 H new ATOM 0 HG1 THR A 39 -0.818 17.775 33.380 1.00 50.00 H new ATOM 0 HG21 THR A 39 0.170 15.608 32.967 1.00 50.00 H new ATOM 0 HG22 THR A 39 -0.849 14.428 32.109 1.00 50.00 H new ATOM 0 HG23 THR A 39 -0.201 15.841 31.243 1.00 50.00 H new ATOM 566 N MET A 40 -3.572 13.964 30.577 1.00 10.00 N ATOM 567 CA MET A 40 -4.218 12.623 30.644 1.00 10.00 C ATOM 568 C MET A 40 -3.199 11.567 31.083 1.00 10.00 C ATOM 569 O MET A 40 -2.010 11.812 31.109 1.00 10.00 O ATOM 570 CB MET A 40 -4.702 12.342 29.221 1.00 10.00 C ATOM 571 CG MET A 40 -6.109 11.743 29.271 1.00 10.00 C ATOM 572 SD MET A 40 -5.999 9.938 29.188 1.00 12.50 S ATOM 573 CE MET A 40 -6.223 9.779 27.399 1.00 50.00 C ATOM 0 H MET A 40 -3.142 14.195 29.681 1.00 10.00 H new ATOM 0 HA MET A 40 -5.036 12.595 31.364 1.00 10.00 H new ATOM 0 HB2 MET A 40 -4.708 13.263 28.639 1.00 10.00 H new ATOM 0 HB3 MET A 40 -4.019 11.654 28.722 1.00 10.00 H new ATOM 0 HG2 MET A 40 -6.612 12.046 30.189 1.00 10.00 H new ATOM 0 HG3 MET A 40 -6.706 12.120 28.441 1.00 10.00 H new ATOM 0 HE1 MET A 40 -6.958 9.001 27.192 1.00 50.00 H new ATOM 0 HE2 MET A 40 -6.574 10.727 26.991 1.00 50.00 H new ATOM 0 HE3 MET A 40 -5.273 9.513 26.936 1.00 50.00 H new ATOM 583 N GLU A 41 -3.656 10.396 31.432 1.00 10.00 N ATOM 584 CA GLU A 41 -2.711 9.329 31.870 1.00 10.00 C ATOM 585 C GLU A 41 -3.130 7.977 31.287 1.00 10.00 C ATOM 586 O GLU A 41 -4.232 7.513 31.501 1.00 10.00 O ATOM 587 CB GLU A 41 -2.812 9.312 33.396 1.00 10.00 C ATOM 588 CG GLU A 41 -4.282 9.209 33.811 1.00 10.00 C ATOM 589 CD GLU A 41 -4.415 9.537 35.299 1.00 12.50 C ATOM 590 OE1 GLU A 41 -4.279 8.629 36.101 1.00 12.50 O ATOM 591 OE2 GLU A 41 -4.654 10.692 35.611 1.00 12.50 O ATOM 0 H GLU A 41 -4.641 10.132 31.433 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.692 9.516 31.532 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -2.250 8.469 33.799 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -2.369 10.218 33.810 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -4.887 9.897 33.220 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -4.657 8.205 33.614 1.00 10.00 H new ATOM 598 N VAL A 42 -2.259 7.342 30.553 1.00 10.00 N ATOM 599 CA VAL A 42 -2.609 6.019 29.958 1.00 10.00 C ATOM 600 C VAL A 42 -1.426 5.054 30.079 1.00 10.00 C ATOM 601 O VAL A 42 -0.388 5.252 29.478 1.00 10.00 O ATOM 602 CB VAL A 42 -2.912 6.313 28.487 1.00 10.00 C ATOM 603 CG1 VAL A 42 -3.346 5.024 27.788 1.00 10.00 C ATOM 604 CG2 VAL A 42 -4.036 7.347 28.395 1.00 10.00 C ATOM 0 H VAL A 42 -1.321 7.680 30.339 1.00 10.00 H new ATOM 0 HA VAL A 42 -3.454 5.551 30.463 1.00 10.00 H new ATOM 0 HB VAL A 42 -2.017 6.705 28.003 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -3.562 5.233 26.740 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -2.545 4.287 27.853 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -4.241 4.631 28.271 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -4.252 7.557 27.348 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -4.931 6.956 28.879 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -3.727 8.266 28.893 1.00 10.00 H new ATOM 614 N ALA A 43 -1.573 4.013 30.851 1.00 10.00 N ATOM 615 CA ALA A 43 -0.455 3.039 31.009 1.00 10.00 C ATOM 616 C ALA A 43 -0.375 2.124 29.783 1.00 10.00 C ATOM 617 O ALA A 43 -1.371 1.827 29.154 1.00 10.00 O ATOM 618 CB ALA A 43 -0.804 2.231 32.259 1.00 50.00 C ATOM 0 H ALA A 43 -2.418 3.794 31.379 1.00 10.00 H new ATOM 0 HA ALA A 43 0.512 3.533 31.102 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -0.026 1.490 32.442 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -0.877 2.900 33.116 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -1.758 1.726 32.111 1.00 50.00 H new ATOM 624 N GLU A 44 0.801 1.677 29.440 1.00 10.00 N ATOM 625 CA GLU A 44 0.940 0.783 28.255 1.00 10.00 C ATOM 626 C GLU A 44 -0.082 -0.353 28.331 1.00 10.00 C ATOM 627 O GLU A 44 -0.047 -1.177 29.224 1.00 10.00 O ATOM 628 CB GLU A 44 2.364 0.232 28.334 1.00 10.00 C ATOM 629 CG GLU A 44 2.659 -0.599 27.084 1.00 10.00 C ATOM 630 CD GLU A 44 3.776 -1.600 27.389 1.00 25.00 C ATOM 631 OE1 GLU A 44 3.722 -2.215 28.440 1.00 25.00 O ATOM 632 OE2 GLU A 44 4.667 -1.732 26.566 1.00 25.00 O ATOM 0 H GLU A 44 1.671 1.891 29.928 1.00 10.00 H new ATOM 0 HA GLU A 44 0.762 1.310 27.317 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.078 1.051 28.416 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.479 -0.382 29.227 1.00 10.00 H new ATOM 0 HG2 GLU A 44 1.760 -1.127 26.765 1.00 10.00 H new ATOM 0 HG3 GLU A 44 2.955 0.053 26.262 1.00 10.00 H new ATOM 639 N GLY A 45 -0.994 -0.401 27.402 1.00 10.00 N ATOM 640 CA GLY A 45 -2.021 -1.479 27.418 1.00 10.00 C ATOM 641 C GLY A 45 -3.414 -0.855 27.527 1.00 10.00 C ATOM 642 O GLY A 45 -4.411 -1.548 27.578 1.00 10.00 O ATOM 0 H GLY A 45 -1.073 0.261 26.630 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -1.949 -2.078 26.510 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -1.845 -2.151 28.258 1.00 10.00 H new ATOM 646 N GLU A 46 -3.493 0.447 27.563 1.00 10.00 N ATOM 647 CA GLU A 46 -4.824 1.111 27.668 1.00 10.00 C ATOM 648 C GLU A 46 -5.005 2.114 26.527 1.00 10.00 C ATOM 649 O GLU A 46 -4.144 2.931 26.264 1.00 10.00 O ATOM 650 CB GLU A 46 -4.805 1.829 29.018 1.00 10.00 C ATOM 651 CG GLU A 46 -5.920 1.274 29.907 1.00 10.00 C ATOM 652 CD GLU A 46 -5.334 0.851 31.256 1.00 10.00 C ATOM 653 OE1 GLU A 46 -4.378 1.474 31.685 1.00 10.00 O ATOM 654 OE2 GLU A 46 -5.852 -0.090 31.835 1.00 10.00 O ATOM 0 H GLU A 46 -2.694 1.080 27.524 1.00 10.00 H new ATOM 0 HA GLU A 46 -5.647 0.400 27.598 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -3.838 1.692 29.501 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -4.940 2.901 28.874 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -6.692 2.029 30.055 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -6.396 0.422 29.422 1.00 10.00 H new ATOM 661 N TYR A 47 -6.117 2.060 25.847 1.00 10.00 N ATOM 662 CA TYR A 47 -6.352 3.011 24.724 1.00 10.00 C ATOM 663 C TYR A 47 -6.629 4.414 25.269 1.00 10.00 C ATOM 664 O TYR A 47 -7.298 4.583 26.269 1.00 10.00 O ATOM 665 CB TYR A 47 -7.578 2.463 23.990 1.00 10.00 C ATOM 666 CG TYR A 47 -7.428 0.971 23.807 1.00 10.00 C ATOM 667 CD1 TYR A 47 -6.249 0.448 23.260 1.00 10.00 C ATOM 668 CD2 TYR A 47 -8.464 0.112 24.188 1.00 10.00 C ATOM 669 CE1 TYR A 47 -6.108 -0.935 23.095 1.00 10.00 C ATOM 670 CE2 TYR A 47 -8.324 -1.271 24.023 1.00 10.00 C ATOM 671 CZ TYR A 47 -7.146 -1.795 23.476 1.00 10.00 C ATOM 672 OH TYR A 47 -7.007 -3.158 23.315 1.00 10.00 O ATOM 0 H TYR A 47 -6.873 1.398 26.021 1.00 10.00 H new ATOM 0 HA TYR A 47 -5.489 3.094 24.064 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.483 2.682 24.557 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -7.683 2.951 23.021 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -5.449 1.111 22.966 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -9.372 0.516 24.610 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -5.199 -1.339 22.674 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -9.124 -1.934 24.317 1.00 10.00 H new ATOM 0 HH TYR A 47 -7.818 -3.609 23.630 1.00 10.00 H new ATOM 682 N ILE A 48 -6.115 5.422 24.620 1.00 10.00 N ATOM 683 CA ILE A 48 -6.341 6.815 25.101 1.00 10.00 C ATOM 684 C ILE A 48 -7.838 7.084 25.288 1.00 10.00 C ATOM 685 O ILE A 48 -8.304 7.306 26.387 1.00 10.00 O ATOM 686 CB ILE A 48 -5.767 7.712 24.002 1.00 10.00 C ATOM 687 CG1 ILE A 48 -4.298 7.356 23.766 1.00 10.00 C ATOM 688 CG2 ILE A 48 -5.874 9.176 24.431 1.00 10.00 C ATOM 689 CD1 ILE A 48 -3.998 7.388 22.266 1.00 10.00 C ATOM 0 H ILE A 48 -5.547 5.342 23.776 1.00 10.00 H new ATOM 0 HA ILE A 48 -5.868 6.996 26.066 1.00 10.00 H new ATOM 0 HB ILE A 48 -6.329 7.561 23.080 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -3.653 8.061 24.291 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -4.084 6.366 24.169 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -5.465 9.815 23.648 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -6.921 9.431 24.598 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -5.312 9.327 25.353 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -2.951 7.134 22.099 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -4.633 6.666 21.752 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -4.196 8.387 21.877 1.00 10.00 H new ATOM 701 N LEU A 49 -8.593 7.071 24.223 1.00 10.00 N ATOM 702 CA LEU A 49 -10.058 7.332 24.343 1.00 10.00 C ATOM 703 C LEU A 49 -10.634 6.600 25.558 1.00 10.00 C ATOM 704 O LEU A 49 -11.609 7.027 26.143 1.00 10.00 O ATOM 705 CB LEU A 49 -10.666 6.788 23.050 1.00 10.00 C ATOM 706 CG LEU A 49 -12.184 6.675 23.206 1.00 10.00 C ATOM 707 CD1 LEU A 49 -12.864 7.168 21.928 1.00 10.00 C ATOM 708 CD2 LEU A 49 -12.564 5.213 23.455 1.00 10.00 C ATOM 0 H LEU A 49 -8.260 6.891 23.276 1.00 10.00 H new ATOM 0 HA LEU A 49 -10.276 8.391 24.482 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -10.424 7.447 22.217 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -10.240 5.812 22.818 1.00 10.00 H new ATOM 0 HG LEU A 49 -12.510 7.283 24.050 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -13.946 7.088 22.037 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -12.593 8.209 21.750 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -12.539 6.559 21.085 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -13.645 5.132 23.566 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -12.239 4.604 22.611 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -12.078 4.861 24.365 1.00 10.00 H new ATOM 720 N GLU A 50 -10.040 5.505 25.947 1.00 10.00 N ATOM 721 CA GLU A 50 -10.560 4.759 27.129 1.00 10.00 C ATOM 722 C GLU A 50 -10.183 5.494 28.416 1.00 10.00 C ATOM 723 O GLU A 50 -11.032 5.865 29.202 1.00 10.00 O ATOM 724 CB GLU A 50 -9.878 3.391 27.069 1.00 10.00 C ATOM 725 CG GLU A 50 -10.517 2.460 28.101 1.00 10.00 C ATOM 726 CD GLU A 50 -9.833 1.092 28.045 1.00 50.00 C ATOM 727 OE1 GLU A 50 -8.752 0.970 28.597 1.00 50.00 O ATOM 728 OE2 GLU A 50 -10.403 0.191 27.452 1.00 50.00 O ATOM 0 H GLU A 50 -9.220 5.095 25.500 1.00 10.00 H new ATOM 0 HA GLU A 50 -11.646 4.669 27.119 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -9.976 2.967 26.070 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.811 3.495 27.268 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -10.421 2.886 29.100 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -11.583 2.354 27.901 1.00 10.00 H new ATOM 735 N ALA A 51 -8.915 5.714 28.633 1.00 10.00 N ATOM 736 CA ALA A 51 -8.488 6.433 29.866 1.00 10.00 C ATOM 737 C ALA A 51 -9.100 7.834 29.885 1.00 10.00 C ATOM 738 O ALA A 51 -9.399 8.380 30.929 1.00 10.00 O ATOM 739 CB ALA A 51 -6.964 6.512 29.775 1.00 12.50 C ATOM 0 H ALA A 51 -8.158 5.428 28.012 1.00 10.00 H new ATOM 0 HA ALA A 51 -8.811 5.928 30.776 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -6.574 7.030 30.651 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -6.549 5.505 29.734 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -6.681 7.057 28.875 1.00 12.50 H new ATOM 745 N ALA A 52 -9.296 8.415 28.735 1.00 10.00 N ATOM 746 CA ALA A 52 -9.897 9.777 28.677 1.00 10.00 C ATOM 747 C ALA A 52 -11.413 9.682 28.833 1.00 10.00 C ATOM 748 O ALA A 52 -12.030 10.466 29.526 1.00 10.00 O ATOM 749 CB ALA A 52 -9.530 10.317 27.295 1.00 10.00 C ATOM 0 H ALA A 52 -9.065 8.005 27.830 1.00 10.00 H new ATOM 0 HA ALA A 52 -9.533 10.427 29.473 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.939 11.320 27.176 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.445 10.353 27.195 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.944 9.663 26.527 1.00 10.00 H new ATOM 755 N GLU A 53 -12.015 8.720 28.195 1.00 10.00 N ATOM 756 CA GLU A 53 -13.493 8.560 28.304 1.00 10.00 C ATOM 757 C GLU A 53 -13.876 8.248 29.753 1.00 10.00 C ATOM 758 O GLU A 53 -14.934 8.619 30.221 1.00 10.00 O ATOM 759 CB GLU A 53 -13.833 7.381 27.390 1.00 10.00 C ATOM 760 CG GLU A 53 -15.274 6.935 27.644 1.00 10.00 C ATOM 761 CD GLU A 53 -16.238 8.003 27.120 1.00 10.00 C ATOM 762 OE1 GLU A 53 -15.810 8.815 26.318 1.00 10.00 O ATOM 763 OE2 GLU A 53 -17.385 7.989 27.531 1.00 10.00 O ATOM 0 H GLU A 53 -11.548 8.035 27.601 1.00 10.00 H new ATOM 0 HA GLU A 53 -14.033 9.462 28.017 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -13.709 7.669 26.346 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -13.147 6.554 27.576 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -15.464 5.983 27.148 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -15.434 6.777 28.710 1.00 10.00 H new ATOM 770 N ALA A 54 -13.017 7.575 30.465 1.00 10.00 N ATOM 771 CA ALA A 54 -13.320 7.242 31.886 1.00 10.00 C ATOM 772 C ALA A 54 -13.206 8.499 32.751 1.00 10.00 C ATOM 773 O ALA A 54 -13.617 8.519 33.894 1.00 10.00 O ATOM 774 CB ALA A 54 -12.260 6.217 32.289 1.00 50.00 C ATOM 0 H ALA A 54 -12.116 7.240 30.124 1.00 10.00 H new ATOM 0 HA ALA A 54 -14.330 6.853 32.015 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -12.416 5.921 33.326 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -12.338 5.340 31.646 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -11.269 6.658 32.183 1.00 50.00 H new ATOM 780 N GLN A 55 -12.650 9.547 32.210 1.00 10.00 N ATOM 781 CA GLN A 55 -12.507 10.806 32.996 1.00 10.00 C ATOM 782 C GLN A 55 -13.638 11.777 32.643 1.00 10.00 C ATOM 783 O GLN A 55 -13.986 12.647 33.417 1.00 10.00 O ATOM 784 CB GLN A 55 -11.153 11.380 32.578 1.00 10.00 C ATOM 785 CG GLN A 55 -10.040 10.680 33.360 1.00 10.00 C ATOM 786 CD GLN A 55 -9.753 11.458 34.645 1.00 10.00 C ATOM 787 OE1 GLN A 55 -10.426 12.422 34.948 1.00 10.00 O ATOM 788 NE2 GLN A 55 -8.772 11.077 35.418 1.00 10.00 N ATOM 0 H GLN A 55 -12.288 9.587 31.257 1.00 10.00 H new ATOM 0 HA GLN A 55 -12.561 10.634 34.071 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -11.002 11.242 31.507 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -11.126 12.453 32.768 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -10.336 9.659 33.599 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -9.138 10.616 32.751 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -8.207 10.267 35.163 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -8.571 11.589 36.277 1.00 10.00 H new ATOM 797 N GLY A 56 -14.214 11.634 31.481 1.00 10.00 N ATOM 798 CA GLY A 56 -15.322 12.547 31.080 1.00 10.00 C ATOM 799 C GLY A 56 -14.999 13.183 29.727 1.00 10.00 C ATOM 800 O GLY A 56 -15.799 13.904 29.164 1.00 10.00 O ATOM 0 H GLY A 56 -13.965 10.924 30.792 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -16.259 11.993 31.018 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -15.459 13.322 31.834 1.00 10.00 H new ATOM 804 N TYR A 57 -13.834 12.924 29.198 1.00 10.00 N ATOM 805 CA TYR A 57 -13.465 13.517 27.879 1.00 10.00 C ATOM 806 C TYR A 57 -14.303 12.885 26.763 1.00 10.00 C ATOM 807 O TYR A 57 -14.470 11.683 26.705 1.00 10.00 O ATOM 808 CB TYR A 57 -11.982 13.182 27.695 1.00 10.00 C ATOM 809 CG TYR A 57 -11.205 13.584 28.931 1.00 10.00 C ATOM 810 CD1 TYR A 57 -11.757 14.487 29.852 1.00 10.00 C ATOM 811 CD2 TYR A 57 -9.928 13.055 29.153 1.00 10.00 C ATOM 812 CE1 TYR A 57 -11.033 14.855 30.992 1.00 12.50 C ATOM 813 CE2 TYR A 57 -9.205 13.423 30.294 1.00 12.50 C ATOM 814 CZ TYR A 57 -9.757 14.323 31.213 1.00 12.50 C ATOM 815 OH TYR A 57 -9.043 14.687 32.336 1.00 12.50 O ATOM 0 H TYR A 57 -13.122 12.328 29.621 1.00 10.00 H new ATOM 0 HA TYR A 57 -13.647 14.591 27.842 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -11.862 12.114 27.511 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -11.588 13.703 26.822 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -12.741 14.898 29.681 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -9.500 12.362 28.443 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -11.459 15.549 31.701 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -8.221 13.012 30.465 1.00 12.50 H new ATOM 0 HH TYR A 57 -8.708 15.602 32.229 1.00 12.50 H new ATOM 825 N ASP A 58 -14.831 13.686 25.879 1.00 10.00 N ATOM 826 CA ASP A 58 -15.660 13.133 24.769 1.00 10.00 C ATOM 827 C ASP A 58 -14.909 13.235 23.438 1.00 10.00 C ATOM 828 O ASP A 58 -14.169 14.169 23.201 1.00 10.00 O ATOM 829 CB ASP A 58 -16.916 14.005 24.742 1.00 10.00 C ATOM 830 CG ASP A 58 -18.014 13.345 25.577 1.00 10.00 C ATOM 831 OD1 ASP A 58 -17.776 12.260 26.083 1.00 10.00 O ATOM 832 OD2 ASP A 58 -19.076 13.935 25.695 1.00 10.00 O ATOM 0 H ASP A 58 -14.725 14.700 25.877 1.00 10.00 H new ATOM 0 HA ASP A 58 -15.895 12.079 24.918 1.00 10.00 H new ATOM 0 HB2 ASP A 58 -16.692 14.996 25.136 1.00 10.00 H new ATOM 0 HB3 ASP A 58 -17.256 14.139 23.715 1.00 10.00 H new ATOM 837 N TRP A 59 -15.095 12.279 22.567 1.00 10.00 N ATOM 838 CA TRP A 59 -14.393 12.319 21.251 1.00 10.00 C ATOM 839 C TRP A 59 -15.374 11.992 20.120 1.00 10.00 C ATOM 840 O TRP A 59 -16.248 11.162 20.277 1.00 10.00 O ATOM 841 CB TRP A 59 -13.308 11.247 21.348 1.00 10.00 C ATOM 842 CG TRP A 59 -12.510 11.466 22.592 1.00 10.00 C ATOM 843 CD1 TRP A 59 -12.960 11.247 23.848 1.00 10.00 C ATOM 844 CD2 TRP A 59 -11.139 11.943 22.723 1.00 10.00 C ATOM 845 NE1 TRP A 59 -11.954 11.564 24.743 1.00 50.00 N ATOM 846 CE2 TRP A 59 -10.813 11.995 24.098 1.00 50.00 C ATOM 847 CE3 TRP A 59 -10.158 12.331 21.794 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -9.558 12.419 24.536 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -8.893 12.757 22.231 1.00 50.00 C ATOM 850 CH2 TRP A 59 -8.594 12.800 23.600 1.00 50.00 C ATOM 0 H TRP A 59 -15.703 11.472 22.710 1.00 10.00 H new ATOM 0 HA TRP A 59 -13.975 13.302 21.034 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -13.760 10.255 21.362 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -12.659 11.289 20.473 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -13.943 10.884 24.109 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -12.045 11.488 25.756 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -10.378 12.301 20.737 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -9.333 12.452 25.592 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -8.147 13.053 21.509 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -7.619 13.127 23.930 1.00 50.00 H new ATOM 861 N PRO A 60 -15.193 12.662 19.015 1.00 10.00 N ATOM 862 CA PRO A 60 -16.073 12.448 17.842 1.00 10.00 C ATOM 863 C PRO A 60 -15.749 11.113 17.164 1.00 10.00 C ATOM 864 O PRO A 60 -14.661 10.587 17.292 1.00 10.00 O ATOM 865 CB PRO A 60 -15.736 13.617 16.923 1.00 10.00 C ATOM 866 CG PRO A 60 -14.345 14.022 17.303 1.00 10.00 C ATOM 867 CD PRO A 60 -14.163 13.675 18.759 1.00 10.00 C ATOM 0 HA PRO A 60 -17.130 12.407 18.103 1.00 10.00 H new ATOM 0 HB2 PRO A 60 -15.789 13.323 15.875 1.00 10.00 H new ATOM 0 HB3 PRO A 60 -16.437 14.440 17.059 1.00 10.00 H new ATOM 0 HG2 PRO A 60 -13.611 13.501 16.688 1.00 10.00 H new ATOM 0 HG3 PRO A 60 -14.197 15.090 17.140 1.00 10.00 H new ATOM 0 HD2 PRO A 60 -13.164 13.286 18.955 1.00 10.00 H new ATOM 0 HD3 PRO A 60 -14.296 14.549 19.397 1.00 10.00 H new ATOM 1011 N ALA A 72 -10.732 11.010 15.091 1.00 10.00 N ATOM 1012 CA ALA A 72 -10.513 12.420 14.653 1.00 10.00 C ATOM 1013 C ALA A 72 -9.809 13.228 15.748 1.00 10.00 C ATOM 1014 O ALA A 72 -10.441 13.815 16.605 1.00 10.00 O ATOM 1015 CB ALA A 72 -11.913 12.976 14.398 1.00 10.00 C ATOM 0 HA ALA A 72 -9.878 12.476 13.769 1.00 10.00 H new ATOM 0 HB1 ALA A 72 -11.839 14.013 14.071 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -12.403 12.386 13.624 1.00 10.00 H new ATOM 0 HB3 ALA A 72 -12.497 12.926 15.317 1.00 10.00 H new ATOM 1021 N SER A 73 -8.505 13.272 15.718 1.00 10.00 N ATOM 1022 CA SER A 73 -7.757 14.050 16.748 1.00 10.00 C ATOM 1023 C SER A 73 -6.565 14.755 16.095 1.00 10.00 C ATOM 1024 O SER A 73 -6.381 14.690 14.898 1.00 10.00 O ATOM 1025 CB SER A 73 -7.279 13.013 17.764 1.00 50.00 C ATOM 1026 OG SER A 73 -6.432 12.072 17.119 1.00 50.00 O ATOM 0 H SER A 73 -7.924 12.802 15.024 1.00 10.00 H new ATOM 0 HA SER A 73 -8.370 14.819 17.218 1.00 10.00 H new ATOM 0 HB2 SER A 73 -6.743 13.504 18.576 1.00 50.00 H new ATOM 0 HB3 SER A 73 -8.134 12.504 18.209 1.00 50.00 H new ATOM 0 HG SER A 73 -6.124 11.408 17.771 1.00 50.00 H new ATOM 1032 N ILE A 74 -5.754 15.425 16.868 1.00 10.00 N ATOM 1033 CA ILE A 74 -4.574 16.127 16.281 1.00 10.00 C ATOM 1034 C ILE A 74 -3.412 16.124 17.278 1.00 10.00 C ATOM 1035 O ILE A 74 -3.252 17.037 18.064 1.00 10.00 O ATOM 1036 CB ILE A 74 -5.043 17.560 16.012 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -6.268 17.545 15.091 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -3.914 18.346 15.342 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -5.891 16.948 13.731 1.00 10.00 C ATOM 0 H ILE A 74 -5.856 15.517 17.879 1.00 10.00 H new ATOM 0 HA ILE A 74 -4.221 15.642 15.371 1.00 10.00 H new ATOM 0 HB ILE A 74 -5.311 18.033 16.957 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -7.068 16.961 15.545 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -6.648 18.558 14.960 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -4.245 19.366 15.150 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -3.044 18.365 15.999 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -3.647 17.867 14.400 1.00 50.00 H new ATOM 0 HD11 ILE A 74 -6.766 16.940 13.082 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -5.106 17.550 13.274 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -5.532 15.928 13.868 1.00 10.00 H new ATOM 1051 N VAL A 75 -2.599 15.105 17.249 1.00 10.00 N ATOM 1052 CA VAL A 75 -1.445 15.040 18.195 1.00 10.00 C ATOM 1053 C VAL A 75 -0.553 16.276 18.032 1.00 10.00 C ATOM 1054 O VAL A 75 -0.076 16.570 16.954 1.00 10.00 O ATOM 1055 CB VAL A 75 -0.683 13.775 17.800 1.00 50.00 C ATOM 1056 CG1 VAL A 75 0.029 14.005 16.465 1.00 50.00 C ATOM 1057 CG2 VAL A 75 0.350 13.442 18.879 1.00 50.00 C ATOM 0 H VAL A 75 -2.682 14.313 16.612 1.00 10.00 H new ATOM 0 HA VAL A 75 -1.766 15.017 19.236 1.00 10.00 H new ATOM 0 HB VAL A 75 -1.383 12.946 17.701 1.00 50.00 H new ATOM 0 HG11 VAL A 75 0.573 13.103 16.183 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -0.707 14.241 15.696 1.00 50.00 H new ATOM 0 HG13 VAL A 75 0.729 14.835 16.564 1.00 50.00 H new ATOM 0 HG21 VAL A 75 0.893 12.540 18.597 1.00 50.00 H new ATOM 0 HG22 VAL A 75 1.051 14.271 18.980 1.00 50.00 H new ATOM 0 HG23 VAL A 75 -0.157 13.278 19.830 1.00 50.00 H new ATOM 1067 N LYS A 76 -0.321 17.001 19.093 1.00 10.00 N ATOM 1068 CA LYS A 76 0.544 18.211 18.990 1.00 10.00 C ATOM 1069 C LYS A 76 2.001 17.839 19.276 1.00 10.00 C ATOM 1070 O LYS A 76 2.902 18.635 19.100 1.00 10.00 O ATOM 1071 CB LYS A 76 0.017 19.171 20.058 1.00 25.00 C ATOM 1072 CG LYS A 76 0.104 20.608 19.538 1.00 25.00 C ATOM 1073 CD LYS A 76 -1.257 21.032 18.985 1.00 50.00 C ATOM 1074 CE LYS A 76 -1.156 21.215 17.468 1.00 50.00 C ATOM 1075 NZ LYS A 76 -2.382 21.973 17.087 1.00 50.00 N ATOM 0 H LYS A 76 -0.692 16.809 20.024 1.00 10.00 H new ATOM 0 HA LYS A 76 0.516 18.656 17.995 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -1.015 18.925 20.307 1.00 25.00 H new ATOM 0 HB3 LYS A 76 0.599 19.068 20.974 1.00 25.00 H new ATOM 0 HG2 LYS A 76 0.407 21.279 20.341 1.00 25.00 H new ATOM 0 HG3 LYS A 76 0.863 20.679 18.759 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -2.009 20.279 19.222 1.00 50.00 H new ATOM 0 HD3 LYS A 76 -1.578 21.962 19.454 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -0.253 21.762 17.196 1.00 50.00 H new ATOM 0 HE3 LYS A 76 -1.112 20.253 16.957 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -2.384 22.137 16.060 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -3.225 21.425 17.352 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -2.393 22.887 17.583 1.00 50.00 H new ATOM 1089 N GLU A 77 2.238 16.634 19.717 1.00 10.00 N ATOM 1090 CA GLU A 77 3.636 16.209 20.016 1.00 10.00 C ATOM 1091 C GLU A 77 3.650 14.775 20.551 1.00 10.00 C ATOM 1092 O GLU A 77 2.619 14.189 20.813 1.00 10.00 O ATOM 1093 CB GLU A 77 4.128 17.185 21.084 1.00 10.00 C ATOM 1094 CG GLU A 77 5.600 17.516 20.831 1.00 10.00 C ATOM 1095 CD GLU A 77 5.752 19.023 20.612 1.00 25.00 C ATOM 1096 OE1 GLU A 77 5.102 19.541 19.718 1.00 25.00 O ATOM 1097 OE2 GLU A 77 6.516 19.633 21.341 1.00 25.00 O ATOM 0 H GLU A 77 1.524 15.925 19.883 1.00 10.00 H new ATOM 0 HA GLU A 77 4.270 16.223 19.129 1.00 10.00 H new ATOM 0 HB2 GLU A 77 3.530 18.096 21.063 1.00 10.00 H new ATOM 0 HB3 GLU A 77 4.007 16.748 22.075 1.00 10.00 H new ATOM 0 HG2 GLU A 77 6.207 17.198 21.679 1.00 10.00 H new ATOM 0 HG3 GLU A 77 5.962 16.972 19.958 1.00 10.00 H new ATOM 1104 N GLY A 78 4.813 14.205 20.714 1.00 10.00 N ATOM 1105 CA GLY A 78 4.892 12.809 21.230 1.00 10.00 C ATOM 1106 C GLY A 78 4.430 11.838 20.142 1.00 10.00 C ATOM 1107 O GLY A 78 4.167 12.228 19.022 1.00 10.00 O ATOM 0 H GLY A 78 5.711 14.645 20.512 1.00 10.00 H new ATOM 0 HA2 GLY A 78 5.914 12.578 21.529 1.00 10.00 H new ATOM 0 HA3 GLY A 78 4.268 12.702 22.117 1.00 10.00 H new ATOM 1111 N GLU A 79 4.331 10.577 20.460 1.00 10.00 N ATOM 1112 CA GLU A 79 3.885 9.586 19.440 1.00 10.00 C ATOM 1113 C GLU A 79 2.940 8.561 20.071 1.00 10.00 C ATOM 1114 O GLU A 79 2.966 8.327 21.263 1.00 10.00 O ATOM 1115 CB GLU A 79 5.167 8.904 18.963 1.00 25.00 C ATOM 1116 CG GLU A 79 4.810 7.631 18.190 1.00 25.00 C ATOM 1117 CD GLU A 79 5.974 7.246 17.274 1.00 50.00 C ATOM 1118 OE1 GLU A 79 6.852 8.074 17.084 1.00 50.00 O ATOM 1119 OE2 GLU A 79 5.969 6.132 16.778 1.00 50.00 O ATOM 0 H GLU A 79 4.539 10.190 21.380 1.00 10.00 H new ATOM 0 HA GLU A 79 3.342 10.057 18.621 1.00 10.00 H new ATOM 0 HB2 GLU A 79 5.737 9.581 18.327 1.00 25.00 H new ATOM 0 HB3 GLU A 79 5.800 8.659 19.816 1.00 25.00 H new ATOM 0 HG2 GLU A 79 4.596 6.819 18.885 1.00 25.00 H new ATOM 0 HG3 GLU A 79 3.907 7.792 17.601 1.00 25.00 H new ATOM 1126 N ILE A 80 2.106 7.945 19.278 1.00 10.00 N ATOM 1127 CA ILE A 80 1.161 6.933 19.829 1.00 10.00 C ATOM 1128 C ILE A 80 1.369 5.588 19.128 1.00 10.00 C ATOM 1129 O ILE A 80 1.800 5.529 17.994 1.00 10.00 O ATOM 1130 CB ILE A 80 -0.231 7.490 19.534 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -0.387 8.855 20.207 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -1.291 6.531 20.078 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -0.985 9.851 19.212 1.00 50.00 C ATOM 0 H ILE A 80 2.038 8.099 18.272 1.00 10.00 H new ATOM 0 HA ILE A 80 1.308 6.761 20.895 1.00 10.00 H new ATOM 0 HB ILE A 80 -0.357 7.598 18.457 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -1.031 8.769 21.082 1.00 10.00 H new ATOM 0 HG13 ILE A 80 0.581 9.212 20.557 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -2.284 6.929 19.867 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -1.181 5.558 19.600 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -1.165 6.422 21.155 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -1.096 10.823 19.692 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -0.324 9.945 18.350 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -1.962 9.495 18.883 1.00 50.00 H new ATOM 1145 N ASP A 81 1.071 4.508 19.795 1.00 10.00 N ATOM 1146 CA ASP A 81 1.259 3.170 19.166 1.00 10.00 C ATOM 1147 C ASP A 81 -0.087 2.588 18.729 1.00 10.00 C ATOM 1148 O ASP A 81 -1.102 2.796 19.364 1.00 10.00 O ATOM 1149 CB ASP A 81 1.885 2.304 20.259 1.00 10.00 C ATOM 1150 CG ASP A 81 3.132 1.609 19.709 1.00 10.00 C ATOM 1151 OD1 ASP A 81 4.107 2.298 19.456 1.00 10.00 O ATOM 1152 OD2 ASP A 81 3.091 0.400 19.550 1.00 10.00 O ATOM 0 H ASP A 81 0.706 4.493 20.747 1.00 10.00 H new ATOM 0 HA ASP A 81 1.884 3.221 18.274 1.00 10.00 H new ATOM 0 HB2 ASP A 81 2.149 2.920 21.119 1.00 10.00 H new ATOM 0 HB3 ASP A 81 1.166 1.562 20.606 1.00 10.00 H new ATOM 1157 N MET A 82 -0.100 1.856 17.649 1.00 12.50 N ATOM 1158 CA MET A 82 -1.375 1.252 17.168 1.00 12.50 C ATOM 1159 C MET A 82 -1.114 -0.162 16.640 1.00 12.50 C ATOM 1160 O MET A 82 -0.003 -0.650 16.676 1.00 12.50 O ATOM 1161 CB MET A 82 -1.849 2.170 16.040 1.00 12.50 C ATOM 1162 CG MET A 82 -0.782 2.226 14.944 1.00 12.50 C ATOM 1163 SD MET A 82 -1.434 3.126 13.515 1.00 12.50 S ATOM 1164 CE MET A 82 -2.438 1.781 12.839 1.00 50.00 C ATOM 0 H MET A 82 0.719 1.650 17.078 1.00 12.50 H new ATOM 0 HA MET A 82 -2.120 1.166 17.959 1.00 12.50 H new ATOM 0 HB2 MET A 82 -2.789 1.802 15.629 1.00 12.50 H new ATOM 0 HB3 MET A 82 -2.040 3.171 16.427 1.00 12.50 H new ATOM 0 HG2 MET A 82 0.115 2.718 15.319 1.00 12.50 H new ATOM 0 HG3 MET A 82 -0.493 1.217 14.651 1.00 12.50 H new ATOM 0 HE1 MET A 82 -3.412 2.169 12.541 1.00 50.00 H new ATOM 0 HE2 MET A 82 -1.936 1.353 11.971 1.00 50.00 H new ATOM 0 HE3 MET A 82 -2.571 1.010 13.598 1.00 50.00 H new ATOM 1174 N ASP A 83 -2.127 -0.823 16.150 1.00 50.00 N ATOM 1175 CA ASP A 83 -1.926 -2.204 15.624 1.00 50.00 C ATOM 1176 C ASP A 83 -1.221 -2.157 14.266 1.00 50.00 C ATOM 1177 O ASP A 83 -1.328 -1.193 13.534 1.00 50.00 O ATOM 1178 CB ASP A 83 -3.334 -2.783 15.480 1.00 50.00 C ATOM 1179 CG ASP A 83 -3.828 -3.267 16.846 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -3.000 -3.451 17.723 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -5.026 -3.444 16.992 1.00 50.00 O ATOM 0 H ASP A 83 -3.082 -0.469 16.091 1.00 50.00 H new ATOM 0 HA ASP A 83 -1.303 -2.809 16.282 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -4.011 -2.027 15.083 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -3.328 -3.610 14.769 1.00 50.00 H new ATOM 1275 N SER A 89 -2.723 8.407 5.698 1.00 12.50 N ATOM 1276 CA SER A 89 -1.400 8.618 5.041 1.00 12.50 C ATOM 1277 C SER A 89 -0.448 9.346 5.996 1.00 12.50 C ATOM 1278 O SER A 89 -0.870 10.074 6.871 1.00 12.50 O ATOM 1279 CB SER A 89 -1.697 9.482 3.816 1.00 12.50 C ATOM 1280 OG SER A 89 -0.535 9.563 3.003 1.00 12.50 O ATOM 0 HA SER A 89 -0.920 7.679 4.767 1.00 12.50 H new ATOM 0 HB2 SER A 89 -2.523 9.055 3.247 1.00 12.50 H new ATOM 0 HB3 SER A 89 -2.007 10.480 4.127 1.00 12.50 H new ATOM 0 HG SER A 89 -0.724 10.115 2.216 1.00 12.50 H new ATOM 1286 N ASP A 90 0.833 9.155 5.834 1.00 10.00 N ATOM 1287 CA ASP A 90 1.806 9.838 6.733 1.00 10.00 C ATOM 1288 C ASP A 90 1.586 11.351 6.697 1.00 10.00 C ATOM 1289 O ASP A 90 1.652 12.024 7.707 1.00 10.00 O ATOM 1290 CB ASP A 90 3.184 9.482 6.173 1.00 10.00 C ATOM 1291 CG ASP A 90 3.498 8.016 6.480 1.00 10.00 C ATOM 1292 OD1 ASP A 90 2.568 7.228 6.529 1.00 10.00 O ATOM 1293 OD2 ASP A 90 4.664 7.706 6.661 1.00 10.00 O ATOM 0 H ASP A 90 1.247 8.557 5.119 1.00 10.00 H new ATOM 0 HA ASP A 90 1.697 9.526 7.772 1.00 10.00 H new ATOM 0 HB2 ASP A 90 3.205 9.652 5.096 1.00 10.00 H new ATOM 0 HB3 ASP A 90 3.945 10.127 6.613 1.00 10.00 H new ATOM 1298 N GLU A 91 1.322 11.888 5.539 1.00 12.50 N ATOM 1299 CA GLU A 91 1.097 13.357 5.430 1.00 12.50 C ATOM 1300 C GLU A 91 -0.044 13.783 6.355 1.00 12.50 C ATOM 1301 O GLU A 91 -0.035 14.862 6.913 1.00 12.50 O ATOM 1302 CB GLU A 91 0.714 13.589 3.968 1.00 12.50 C ATOM 1303 CG GLU A 91 1.869 14.285 3.244 1.00 12.50 C ATOM 1304 CD GLU A 91 1.306 15.323 2.271 1.00 50.00 C ATOM 1305 OE1 GLU A 91 0.694 14.921 1.295 1.00 50.00 O ATOM 1306 OE2 GLU A 91 1.498 16.502 2.517 1.00 50.00 O ATOM 0 H GLU A 91 1.252 11.373 4.662 1.00 12.50 H new ATOM 0 HA GLU A 91 1.975 13.934 5.719 1.00 12.50 H new ATOM 0 HB2 GLU A 91 0.487 12.639 3.485 1.00 12.50 H new ATOM 0 HB3 GLU A 91 -0.187 14.199 3.909 1.00 12.50 H new ATOM 0 HG2 GLU A 91 2.528 14.767 3.966 1.00 12.50 H new ATOM 0 HG3 GLU A 91 2.469 13.552 2.704 1.00 12.50 H new ATOM 1313 N GLU A 92 -1.025 12.941 6.522 1.00 10.00 N ATOM 1314 CA GLU A 92 -2.167 13.294 7.411 1.00 10.00 C ATOM 1315 C GLU A 92 -1.734 13.232 8.879 1.00 10.00 C ATOM 1316 O GLU A 92 -2.191 13.999 9.703 1.00 10.00 O ATOM 1317 CB GLU A 92 -3.236 12.237 7.124 1.00 50.00 C ATOM 1318 CG GLU A 92 -4.158 12.736 6.011 1.00 50.00 C ATOM 1319 CD GLU A 92 -5.615 12.579 6.449 1.00 50.00 C ATOM 1320 OE1 GLU A 92 -6.019 11.456 6.702 1.00 50.00 O ATOM 1321 OE2 GLU A 92 -6.303 13.585 6.523 1.00 50.00 O ATOM 0 H GLU A 92 -1.086 12.023 6.081 1.00 10.00 H new ATOM 0 HA GLU A 92 -2.533 14.304 7.229 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -2.766 11.299 6.828 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -3.813 12.034 8.026 1.00 50.00 H new ATOM 0 HG2 GLU A 92 -3.944 13.781 5.788 1.00 50.00 H new ATOM 0 HG3 GLU A 92 -3.979 12.172 5.096 1.00 50.00 H new ATOM 1328 N VAL A 93 -0.856 12.327 9.212 1.00 10.00 N ATOM 1329 CA VAL A 93 -0.396 12.220 10.627 1.00 10.00 C ATOM 1330 C VAL A 93 0.662 13.285 10.918 1.00 10.00 C ATOM 1331 O VAL A 93 0.822 13.725 12.040 1.00 10.00 O ATOM 1332 CB VAL A 93 0.201 10.817 10.743 1.00 10.00 C ATOM 1333 CG1 VAL A 93 0.860 10.656 12.115 1.00 10.00 C ATOM 1334 CG2 VAL A 93 -0.910 9.778 10.585 1.00 10.00 C ATOM 0 H VAL A 93 -0.437 11.657 8.567 1.00 10.00 H new ATOM 0 HA VAL A 93 -1.205 12.376 11.340 1.00 10.00 H new ATOM 0 HB VAL A 93 0.948 10.672 9.962 1.00 10.00 H new ATOM 0 HG11 VAL A 93 1.286 9.656 12.199 1.00 10.00 H new ATOM 0 HG12 VAL A 93 1.650 11.398 12.228 1.00 10.00 H new ATOM 0 HG13 VAL A 93 0.113 10.799 12.896 1.00 10.00 H new ATOM 0 HG21 VAL A 93 -0.486 8.777 10.667 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -1.656 9.922 11.366 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -1.380 9.894 9.608 1.00 10.00 H new ATOM 1344 N GLU A 94 1.387 13.705 9.918 1.00 12.50 N ATOM 1345 CA GLU A 94 2.435 14.741 10.139 1.00 12.50 C ATOM 1346 C GLU A 94 1.843 16.143 9.960 1.00 12.50 C ATOM 1347 O GLU A 94 2.148 17.055 10.701 1.00 12.50 O ATOM 1348 CB GLU A 94 3.496 14.469 9.072 1.00 12.50 C ATOM 1349 CG GLU A 94 4.881 14.454 9.724 1.00 12.50 C ATOM 1350 CD GLU A 94 5.646 13.212 9.264 1.00 12.50 C ATOM 1351 OE1 GLU A 94 5.164 12.118 9.510 1.00 12.50 O ATOM 1352 OE2 GLU A 94 6.701 13.374 8.673 1.00 12.50 O ATOM 0 H GLU A 94 1.299 13.375 8.957 1.00 12.50 H new ATOM 0 HA GLU A 94 2.849 14.697 11.146 1.00 12.50 H new ATOM 0 HB2 GLU A 94 3.301 13.514 8.585 1.00 12.50 H new ATOM 0 HB3 GLU A 94 3.454 15.236 8.298 1.00 12.50 H new ATOM 0 HG2 GLU A 94 5.432 15.355 9.454 1.00 12.50 H new ATOM 0 HG3 GLU A 94 4.784 14.453 10.810 1.00 12.50 H new ATOM 1359 N GLU A 95 0.997 16.319 8.981 1.00 12.50 N ATOM 1360 CA GLU A 95 0.387 17.662 8.756 1.00 12.50 C ATOM 1361 C GLU A 95 -0.905 17.800 9.567 1.00 12.50 C ATOM 1362 O GLU A 95 -1.110 18.774 10.262 1.00 12.50 O ATOM 1363 CB GLU A 95 0.090 17.720 7.258 1.00 25.00 C ATOM 1364 CG GLU A 95 0.392 19.126 6.732 1.00 25.00 C ATOM 1365 CD GLU A 95 -0.284 19.321 5.374 1.00 50.00 C ATOM 1366 OE1 GLU A 95 -0.235 18.402 4.573 1.00 50.00 O ATOM 1367 OE2 GLU A 95 -0.840 20.385 5.159 1.00 50.00 O ATOM 0 H GLU A 95 0.702 15.593 8.328 1.00 12.50 H new ATOM 0 HA GLU A 95 1.046 18.471 9.070 1.00 12.50 H new ATOM 0 HB2 GLU A 95 0.695 16.984 6.728 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -0.954 17.467 7.073 1.00 25.00 H new ATOM 0 HG2 GLU A 95 0.034 19.875 7.439 1.00 25.00 H new ATOM 0 HG3 GLU A 95 1.469 19.266 6.637 1.00 25.00 H new ATOM 1374 N LYS A 96 -1.777 16.833 9.482 1.00 25.00 N ATOM 1375 CA LYS A 96 -3.053 16.913 10.251 1.00 25.00 C ATOM 1376 C LYS A 96 -2.831 16.440 11.690 1.00 25.00 C ATOM 1377 O LYS A 96 -3.569 16.788 12.591 1.00 25.00 O ATOM 1378 CB LYS A 96 -4.019 15.981 9.517 1.00 25.00 C ATOM 1379 CG LYS A 96 -5.336 16.714 9.252 1.00 25.00 C ATOM 1380 CD LYS A 96 -5.073 17.938 8.371 1.00 25.00 C ATOM 1381 CE LYS A 96 -6.405 18.514 7.885 1.00 25.00 C ATOM 1382 NZ LYS A 96 -6.387 19.940 8.317 1.00 25.00 N ATOM 0 H LYS A 96 -1.662 15.993 8.915 1.00 25.00 H new ATOM 0 HA LYS A 96 -3.439 17.931 10.309 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -3.578 15.652 8.576 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -4.202 15.087 10.113 1.00 25.00 H new ATOM 0 HG2 LYS A 96 -6.044 16.046 8.762 1.00 25.00 H new ATOM 0 HG3 LYS A 96 -5.789 17.022 10.194 1.00 25.00 H new ATOM 0 HD2 LYS A 96 -4.522 18.692 8.933 1.00 25.00 H new ATOM 0 HD3 LYS A 96 -4.453 17.659 7.519 1.00 25.00 H new ATOM 0 HE2 LYS A 96 -6.500 18.430 6.802 1.00 25.00 H new ATOM 0 HE3 LYS A 96 -7.249 17.980 8.321 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 -7.344 20.339 8.237 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 -6.068 19.999 9.305 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 -5.736 20.478 7.711 1.00 25.00 H new ATOM 1396 N ASP A 97 -1.816 15.651 11.914 1.00 10.00 N ATOM 1397 CA ASP A 97 -1.541 15.158 13.297 1.00 10.00 C ATOM 1398 C ASP A 97 -2.677 14.256 13.779 1.00 10.00 C ATOM 1399 O ASP A 97 -2.843 14.035 14.962 1.00 10.00 O ATOM 1400 CB ASP A 97 -1.464 16.414 14.169 1.00 50.00 C ATOM 1401 CG ASP A 97 -0.696 17.514 13.429 1.00 50.00 C ATOM 1402 OD1 ASP A 97 0.501 17.360 13.257 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -1.321 18.491 13.048 1.00 50.00 O ATOM 0 H ASP A 97 -1.164 15.325 11.200 1.00 10.00 H new ATOM 0 HA ASP A 97 -0.623 14.572 13.340 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -2.468 16.760 14.413 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -0.968 16.183 15.112 1.00 50.00 H new ATOM 1408 N VAL A 98 -3.464 13.735 12.880 1.00 10.00 N ATOM 1409 CA VAL A 98 -4.587 12.854 13.307 1.00 10.00 C ATOM 1410 C VAL A 98 -4.075 11.437 13.582 1.00 10.00 C ATOM 1411 O VAL A 98 -3.037 11.035 13.093 1.00 10.00 O ATOM 1412 CB VAL A 98 -5.570 12.855 12.136 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -5.970 14.294 11.809 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -4.912 12.217 10.913 1.00 50.00 C ATOM 0 H VAL A 98 -3.380 13.880 11.874 1.00 10.00 H new ATOM 0 HA VAL A 98 -5.056 13.205 14.226 1.00 10.00 H new ATOM 0 HB VAL A 98 -6.457 12.283 12.407 1.00 50.00 H new ATOM 0 HG11 VAL A 98 -6.671 14.296 10.974 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -6.442 14.747 12.680 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -5.082 14.866 11.539 1.00 50.00 H new ATOM 0 HG21 VAL A 98 -5.614 12.219 10.080 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -4.023 12.786 10.640 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -4.628 11.191 11.146 1.00 50.00 H new ATOM 1424 N ARG A 99 -4.796 10.679 14.363 1.00 10.00 N ATOM 1425 CA ARG A 99 -4.352 9.290 14.673 1.00 10.00 C ATOM 1426 C ARG A 99 -5.409 8.577 15.521 1.00 10.00 C ATOM 1427 O ARG A 99 -5.745 9.014 16.604 1.00 10.00 O ATOM 1428 CB ARG A 99 -3.053 9.456 15.462 1.00 50.00 C ATOM 1429 CG ARG A 99 -2.383 8.091 15.634 1.00 50.00 C ATOM 1430 CD ARG A 99 -1.100 8.046 14.802 1.00 50.00 C ATOM 1431 NE ARG A 99 -0.246 7.029 15.478 1.00 50.00 N ATOM 1432 CZ ARG A 99 1.044 7.028 15.285 1.00 50.00 C ATOM 1433 NH1 ARG A 99 1.694 8.157 15.211 1.00 50.00 N ATOM 1434 NH2 ARG A 99 1.686 5.898 15.167 1.00 50.00 N ATOM 0 H ARG A 99 -5.673 10.962 14.800 1.00 10.00 H new ATOM 0 HA ARG A 99 -4.208 8.691 13.774 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -2.383 10.139 14.940 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -3.261 9.897 16.437 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -2.154 7.916 16.685 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -3.062 7.298 15.319 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -1.307 7.766 13.769 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -0.611 9.020 14.776 1.00 50.00 H new ATOM 0 HE ARG A 99 -0.670 6.334 16.092 1.00 50.00 H new ATOM 0 HH11 ARG A 99 1.193 9.041 15.304 1.00 50.00 H new ATOM 0 HH12 ARG A 99 2.703 8.156 15.060 1.00 50.00 H new ATOM 0 HH21 ARG A 99 1.179 5.015 15.226 1.00 50.00 H new ATOM 0 HH22 ARG A 99 2.695 5.898 15.016 1.00 50.00 H new ATOM 1448 N LEU A 100 -5.938 7.487 15.038 1.00 10.00 N ATOM 1449 CA LEU A 100 -6.973 6.751 15.819 1.00 10.00 C ATOM 1450 C LEU A 100 -6.571 6.678 17.294 1.00 10.00 C ATOM 1451 O LEU A 100 -5.432 6.414 17.624 1.00 10.00 O ATOM 1452 CB LEU A 100 -7.016 5.352 15.203 1.00 10.00 C ATOM 1453 CG LEU A 100 -5.611 4.746 15.217 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -5.581 3.553 16.175 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -5.244 4.279 13.807 1.00 10.00 C ATOM 0 H LEU A 100 -5.699 7.074 14.137 1.00 10.00 H new ATOM 0 HA LEU A 100 -7.945 7.242 15.780 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -7.703 4.717 15.763 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -7.391 5.404 14.181 1.00 10.00 H new ATOM 0 HG LEU A 100 -4.893 5.496 15.549 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -4.581 3.120 16.186 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -5.843 3.886 17.179 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -6.298 2.802 15.843 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -4.243 3.847 13.816 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -5.960 3.528 13.474 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -5.266 5.129 13.125 1.00 10.00 H new ATOM 1467 N THR A 101 -7.497 6.914 18.182 1.00 10.00 N ATOM 1468 CA THR A 101 -7.166 6.860 19.636 1.00 10.00 C ATOM 1469 C THR A 101 -8.079 5.858 20.349 1.00 10.00 C ATOM 1470 O THR A 101 -7.890 5.547 21.507 1.00 10.00 O ATOM 1471 CB THR A 101 -7.421 8.278 20.151 1.00 10.00 C ATOM 1472 OG1 THR A 101 -8.692 8.723 19.700 1.00 10.00 O ATOM 1473 CG2 THR A 101 -6.333 9.215 19.626 1.00 10.00 C ATOM 0 H THR A 101 -8.467 7.142 17.965 1.00 10.00 H new ATOM 0 HA THR A 101 -6.140 6.538 19.816 1.00 10.00 H new ATOM 0 HB THR A 101 -7.403 8.279 21.241 1.00 10.00 H new ATOM 0 HG1 THR A 101 -8.857 9.631 20.031 1.00 10.00 H new ATOM 0 HG21 THR A 101 -6.515 10.225 19.993 1.00 10.00 H new ATOM 0 HG22 THR A 101 -5.359 8.872 19.974 1.00 10.00 H new ATOM 0 HG23 THR A 101 -6.349 9.216 18.536 1.00 10.00 H new ATOM 1481 N CYS A 102 -9.067 5.352 19.665 1.00 10.00 N ATOM 1482 CA CYS A 102 -9.991 4.373 20.305 1.00 10.00 C ATOM 1483 C CYS A 102 -9.236 3.088 20.667 1.00 10.00 C ATOM 1484 O CYS A 102 -9.372 2.565 21.754 1.00 10.00 O ATOM 1485 CB CYS A 102 -11.061 4.093 19.248 1.00 10.00 C ATOM 1486 SG CYS A 102 -12.313 5.399 19.304 1.00 10.00 S ATOM 0 H CYS A 102 -9.275 5.573 18.691 1.00 10.00 H new ATOM 0 HA CYS A 102 -10.423 4.754 21.230 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -10.608 4.050 18.258 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -11.523 3.123 19.430 1.00 10.00 H new ATOM 0 HG CYS A 102 -13.223 5.166 18.406 1.00 10.00 H new ATOM 1491 N ILE A 103 -8.441 2.580 19.766 1.00 10.00 N ATOM 1492 CA ILE A 103 -7.680 1.332 20.063 1.00 10.00 C ATOM 1493 C ILE A 103 -6.177 1.577 19.900 1.00 10.00 C ATOM 1494 O ILE A 103 -5.477 0.803 19.277 1.00 10.00 O ATOM 1495 CB ILE A 103 -8.171 0.311 19.037 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -9.701 0.288 19.031 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -7.640 -1.076 19.406 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -10.192 -0.934 18.249 1.00 50.00 C ATOM 0 H ILE A 103 -8.285 2.974 18.838 1.00 10.00 H new ATOM 0 HA ILE A 103 -7.837 0.988 21.085 1.00 10.00 H new ATOM 0 HB ILE A 103 -7.809 0.587 18.047 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -10.079 0.254 20.053 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -10.087 1.201 18.578 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -7.989 -1.806 18.675 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -6.550 -1.059 19.410 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -8.002 -1.353 20.396 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -11.282 -0.950 18.245 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -9.826 -0.881 17.224 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -9.818 -1.842 18.721 1.00 50.00 H new ATOM 1510 N GLY A 104 -5.674 2.647 20.454 1.00 10.00 N ATOM 1511 CA GLY A 104 -4.218 2.936 20.326 1.00 10.00 C ATOM 1512 C GLY A 104 -3.700 3.547 21.630 1.00 10.00 C ATOM 1513 O GLY A 104 -4.384 4.306 22.288 1.00 10.00 O ATOM 0 H GLY A 104 -6.208 3.332 20.989 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -3.673 2.019 20.100 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -4.044 3.622 19.497 1.00 10.00 H new ATOM 1517 N SER A 105 -2.492 3.225 22.008 1.00 10.00 N ATOM 1518 CA SER A 105 -1.925 3.787 23.267 1.00 10.00 C ATOM 1519 C SER A 105 -0.708 4.662 22.954 1.00 10.00 C ATOM 1520 O SER A 105 -0.067 4.492 21.936 1.00 10.00 O ATOM 1521 CB SER A 105 -1.510 2.569 24.092 1.00 10.00 C ATOM 1522 OG SER A 105 -0.871 1.623 23.248 1.00 10.00 O ATOM 0 H SER A 105 -1.872 2.596 21.498 1.00 10.00 H new ATOM 0 HA SER A 105 -2.640 4.415 23.798 1.00 10.00 H new ATOM 0 HB2 SER A 105 -0.836 2.871 24.893 1.00 10.00 H new ATOM 0 HB3 SER A 105 -2.384 2.120 24.563 1.00 10.00 H new ATOM 0 HG SER A 105 -0.603 0.842 23.776 1.00 10.00 H new ATOM 1528 N PRO A 106 -0.430 5.572 23.847 1.00 10.00 N ATOM 1529 CA PRO A 106 0.724 6.488 23.669 1.00 10.00 C ATOM 1530 C PRO A 106 2.042 5.734 23.875 1.00 10.00 C ATOM 1531 O PRO A 106 2.107 4.769 24.609 1.00 10.00 O ATOM 1532 CB PRO A 106 0.520 7.535 24.760 1.00 10.00 C ATOM 1533 CG PRO A 106 -0.301 6.847 25.805 1.00 10.00 C ATOM 1534 CD PRO A 106 -1.158 5.832 25.093 1.00 10.00 C ATOM 0 HA PRO A 106 0.777 6.923 22.671 1.00 10.00 H new ATOM 0 HB2 PRO A 106 1.473 7.873 25.166 1.00 10.00 H new ATOM 0 HB3 PRO A 106 0.008 8.416 24.372 1.00 10.00 H new ATOM 0 HG2 PRO A 106 0.340 6.362 26.542 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -0.920 7.565 26.344 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -1.277 4.924 25.684 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -2.158 6.219 24.899 1.00 10.00 H new ATOM 1542 N ALA A 107 3.092 6.166 23.229 1.00 10.00 N ATOM 1543 CA ALA A 107 4.402 5.471 23.386 1.00 10.00 C ATOM 1544 C ALA A 107 5.430 6.409 24.026 1.00 10.00 C ATOM 1545 O ALA A 107 6.426 5.974 24.570 1.00 10.00 O ATOM 1546 CB ALA A 107 4.828 5.102 21.964 1.00 50.00 C ATOM 0 H ALA A 107 3.099 6.969 22.600 1.00 10.00 H new ATOM 0 HA ALA A 107 4.328 4.596 24.031 1.00 10.00 H new ATOM 0 HB1 ALA A 107 5.787 4.585 21.994 1.00 50.00 H new ATOM 0 HB2 ALA A 107 4.078 4.449 21.517 1.00 50.00 H new ATOM 0 HB3 ALA A 107 4.923 6.008 21.366 1.00 50.00 H new ATOM 1552 N ALA A 108 5.198 7.691 23.964 1.00 10.00 N ATOM 1553 CA ALA A 108 6.163 8.654 24.568 1.00 10.00 C ATOM 1554 C ALA A 108 5.694 9.066 25.968 1.00 10.00 C ATOM 1555 O ALA A 108 4.553 8.866 26.334 1.00 10.00 O ATOM 1556 CB ALA A 108 6.162 9.858 23.625 1.00 50.00 C ATOM 0 H ALA A 108 4.382 8.114 23.521 1.00 10.00 H new ATOM 0 HA ALA A 108 7.159 8.226 24.681 1.00 10.00 H new ATOM 0 HB1 ALA A 108 6.850 10.615 24.001 1.00 50.00 H new ATOM 0 HB2 ALA A 108 6.478 9.542 22.631 1.00 50.00 H new ATOM 0 HB3 ALA A 108 5.157 10.276 23.570 1.00 50.00 H new ATOM 1562 N ASP A 109 6.567 9.639 26.753 1.00 50.00 N ATOM 1563 CA ASP A 109 6.170 10.061 28.127 1.00 50.00 C ATOM 1564 C ASP A 109 5.146 11.198 28.057 1.00 50.00 C ATOM 1565 O ASP A 109 3.979 11.013 28.335 1.00 50.00 O ATOM 1566 CB ASP A 109 7.462 10.547 28.785 1.00 50.00 C ATOM 1567 CG ASP A 109 8.145 9.377 29.495 1.00 50.00 C ATOM 1568 OD1 ASP A 109 8.793 8.595 28.818 1.00 50.00 O ATOM 1569 OD2 ASP A 109 8.010 9.282 30.704 1.00 50.00 O ATOM 0 H ASP A 109 7.537 9.833 26.502 1.00 50.00 H new ATOM 0 HA ASP A 109 5.707 9.249 28.688 1.00 50.00 H new ATOM 0 HB2 ASP A 109 8.129 10.969 28.033 1.00 50.00 H new ATOM 0 HB3 ASP A 109 7.243 11.341 29.499 1.00 50.00 H new ATOM 1574 N GLU A 110 5.577 12.372 27.688 1.00 10.00 N ATOM 1575 CA GLU A 110 4.628 13.519 27.600 1.00 10.00 C ATOM 1576 C GLU A 110 4.185 13.732 26.151 1.00 10.00 C ATOM 1577 O GLU A 110 4.887 14.331 25.359 1.00 10.00 O ATOM 1578 CB GLU A 110 5.418 14.728 28.104 1.00 10.00 C ATOM 1579 CG GLU A 110 4.527 15.577 29.011 1.00 10.00 C ATOM 1580 CD GLU A 110 4.377 16.977 28.413 1.00 50.00 C ATOM 1581 OE1 GLU A 110 4.371 17.083 27.197 1.00 50.00 O ATOM 1582 OE2 GLU A 110 4.271 17.919 29.180 1.00 50.00 O ATOM 0 H GLU A 110 6.544 12.588 27.444 1.00 10.00 H new ATOM 0 HA GLU A 110 3.724 13.351 28.185 1.00 10.00 H new ATOM 0 HB2 GLU A 110 6.301 14.397 28.651 1.00 10.00 H new ATOM 0 HB3 GLU A 110 5.770 15.323 27.261 1.00 10.00 H new ATOM 0 HG2 GLU A 110 3.548 15.109 29.118 1.00 10.00 H new ATOM 0 HG3 GLU A 110 4.961 15.641 30.009 1.00 10.00 H new ATOM 1589 N VAL A 111 3.027 13.247 25.797 1.00 10.00 N ATOM 1590 CA VAL A 111 2.540 13.423 24.398 1.00 10.00 C ATOM 1591 C VAL A 111 1.426 14.471 24.355 1.00 10.00 C ATOM 1592 O VAL A 111 0.529 14.472 25.174 1.00 10.00 O ATOM 1593 CB VAL A 111 2.005 12.050 23.989 1.00 12.50 C ATOM 1594 CG1 VAL A 111 1.422 12.130 22.577 1.00 12.50 C ATOM 1595 CG2 VAL A 111 3.147 11.032 24.014 1.00 12.50 C ATOM 0 H VAL A 111 2.396 12.736 26.415 1.00 10.00 H new ATOM 0 HA VAL A 111 3.326 13.769 23.726 1.00 10.00 H new ATOM 0 HB VAL A 111 1.226 11.740 24.685 1.00 12.50 H new ATOM 0 HG11 VAL A 111 1.041 11.152 22.285 1.00 12.50 H new ATOM 0 HG12 VAL A 111 0.609 12.856 22.559 1.00 12.50 H new ATOM 0 HG13 VAL A 111 2.200 12.439 21.879 1.00 12.50 H new ATOM 0 HG21 VAL A 111 2.768 10.053 23.723 1.00 12.50 H new ATOM 0 HG22 VAL A 111 3.926 11.342 23.317 1.00 12.50 H new ATOM 0 HG23 VAL A 111 3.562 10.976 25.020 1.00 12.50 H new ATOM 1605 N LYS A 112 1.476 15.363 23.405 1.00 10.00 N ATOM 1606 CA LYS A 112 0.419 16.412 23.311 1.00 10.00 C ATOM 1607 C LYS A 112 -0.562 16.081 22.182 1.00 10.00 C ATOM 1608 O LYS A 112 -0.181 15.593 21.136 1.00 10.00 O ATOM 1609 CB LYS A 112 1.173 17.707 23.005 1.00 25.00 C ATOM 1610 CG LYS A 112 2.230 17.950 24.084 1.00 25.00 C ATOM 1611 CD LYS A 112 2.923 19.289 23.824 1.00 25.00 C ATOM 1612 CE LYS A 112 3.703 19.712 25.070 1.00 25.00 C ATOM 1613 NZ LYS A 112 5.019 20.181 24.556 1.00 25.00 N ATOM 0 H LYS A 112 2.202 15.412 22.690 1.00 10.00 H new ATOM 0 HA LYS A 112 -0.168 16.488 24.226 1.00 10.00 H new ATOM 0 HB2 LYS A 112 1.647 17.642 22.025 1.00 25.00 H new ATOM 0 HB3 LYS A 112 0.477 18.545 22.967 1.00 25.00 H new ATOM 0 HG2 LYS A 112 1.765 17.954 25.070 1.00 25.00 H new ATOM 0 HG3 LYS A 112 2.962 17.142 24.080 1.00 25.00 H new ATOM 0 HD2 LYS A 112 3.598 19.202 22.972 1.00 25.00 H new ATOM 0 HD3 LYS A 112 2.184 20.049 23.569 1.00 25.00 H new ATOM 0 HE2 LYS A 112 3.185 20.504 25.611 1.00 25.00 H new ATOM 0 HE3 LYS A 112 3.823 18.879 25.763 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 5.613 20.489 25.352 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 5.492 19.404 24.052 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 4.873 20.978 23.904 1.00 25.00 H new ATOM 1627 N ILE A 113 -1.823 16.346 22.387 1.00 10.00 N ATOM 1628 CA ILE A 113 -2.835 16.051 21.331 1.00 10.00 C ATOM 1629 C ILE A 113 -4.107 16.866 21.573 1.00 10.00 C ATOM 1630 O ILE A 113 -4.405 17.256 22.685 1.00 10.00 O ATOM 1631 CB ILE A 113 -3.124 14.556 21.463 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -4.189 14.152 20.441 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -3.634 14.259 22.874 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -3.814 12.807 19.814 1.00 10.00 C ATOM 0 H ILE A 113 -2.198 16.755 23.243 1.00 10.00 H new ATOM 0 HA ILE A 113 -2.477 16.310 20.335 1.00 10.00 H new ATOM 0 HB ILE A 113 -2.210 13.991 21.280 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.163 14.080 20.925 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -4.273 14.915 19.667 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -3.841 13.193 22.969 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -2.877 14.549 23.603 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -4.548 14.823 23.057 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -4.573 12.520 19.086 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -2.849 12.894 19.316 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -3.753 12.047 20.593 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.863 17.119 20.541 1.00 10.00 N ATOM 1647 CA VAL A 114 -6.120 17.902 20.707 1.00 10.00 C ATOM 1648 C VAL A 114 -7.331 17.011 20.405 1.00 10.00 C ATOM 1649 O VAL A 114 -7.377 16.335 19.397 1.00 10.00 O ATOM 1650 CB VAL A 114 -6.016 19.038 19.688 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -7.158 20.031 19.911 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -4.676 19.758 19.859 1.00 50.00 C ATOM 0 H VAL A 114 -4.664 16.817 19.587 1.00 10.00 H new ATOM 0 HA VAL A 114 -6.247 18.281 21.721 1.00 10.00 H new ATOM 0 HB VAL A 114 -6.082 18.627 18.681 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -7.083 20.840 19.185 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -8.113 19.520 19.789 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -7.092 20.441 20.919 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -4.603 20.567 19.133 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -4.609 20.168 20.867 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -3.861 19.052 19.700 1.00 50.00 H new ATOM 1662 N TYR A 115 -8.308 16.999 21.273 1.00 10.00 N ATOM 1663 CA TYR A 115 -9.505 16.142 21.031 1.00 10.00 C ATOM 1664 C TYR A 115 -10.593 16.942 20.300 1.00 10.00 C ATOM 1665 O TYR A 115 -10.519 18.150 20.182 1.00 10.00 O ATOM 1666 CB TYR A 115 -9.957 15.687 22.435 1.00 50.00 C ATOM 1667 CG TYR A 115 -11.120 16.519 22.933 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -10.886 17.720 23.615 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -12.432 16.086 22.709 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -11.964 18.487 24.069 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -13.510 16.855 23.163 1.00 50.00 C ATOM 1672 CZ TYR A 115 -13.276 18.055 23.843 1.00 50.00 C ATOM 1673 OH TYR A 115 -14.338 18.815 24.292 1.00 50.00 O ATOM 0 H TYR A 115 -8.329 17.543 22.135 1.00 10.00 H new ATOM 0 HA TYR A 115 -9.292 15.284 20.393 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -10.245 14.636 22.404 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -9.123 15.769 23.132 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -9.874 18.054 23.790 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -12.613 15.159 22.186 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -11.784 19.413 24.594 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -14.522 16.522 22.988 1.00 50.00 H new ATOM 0 HH TYR A 115 -14.000 19.583 24.799 1.00 50.00 H new ATOM 1683 N ASN A 116 -11.602 16.275 19.805 1.00 10.00 N ATOM 1684 CA ASN A 116 -12.691 16.989 19.077 1.00 10.00 C ATOM 1685 C ASN A 116 -12.160 17.563 17.760 1.00 10.00 C ATOM 1686 O ASN A 116 -12.431 18.695 17.412 1.00 10.00 O ATOM 1687 CB ASN A 116 -13.133 18.118 20.011 1.00 10.00 C ATOM 1688 CG ASN A 116 -14.595 17.906 20.412 1.00 10.00 C ATOM 1689 OD1 ASN A 116 -15.016 16.792 20.655 1.00 10.00 O ATOM 1690 ND2 ASN A 116 -15.392 18.936 20.493 1.00 10.00 N ATOM 0 H ASN A 116 -11.719 15.264 19.874 1.00 10.00 H new ATOM 0 HA ASN A 116 -13.518 16.324 18.827 1.00 10.00 H new ATOM 0 HB2 ASN A 116 -12.501 18.139 20.899 1.00 10.00 H new ATOM 0 HB3 ASN A 116 -13.017 19.081 19.515 1.00 10.00 H new ATOM 0 HD21 ASN A 116 -16.368 18.806 20.760 1.00 10.00 H new ATOM 0 HD22 ASN A 116 -15.039 19.871 20.289 1.00 10.00 H new ATOM 1697 N ALA A 117 -11.409 16.791 17.025 1.00 10.00 N ATOM 1698 CA ALA A 117 -10.866 17.296 15.732 1.00 10.00 C ATOM 1699 C ALA A 117 -12.012 17.572 14.754 1.00 10.00 C ATOM 1700 O ALA A 117 -11.837 18.227 13.746 1.00 10.00 O ATOM 1701 CB ALA A 117 -9.972 16.172 15.209 1.00 50.00 C ATOM 0 H ALA A 117 -11.148 15.834 17.263 1.00 10.00 H new ATOM 0 HA ALA A 117 -10.315 18.229 15.850 1.00 10.00 H new ATOM 0 HB1 ALA A 117 -9.534 16.469 14.256 1.00 50.00 H new ATOM 0 HB2 ALA A 117 -9.177 15.975 15.928 1.00 50.00 H new ATOM 0 HB3 ALA A 117 -10.567 15.269 15.069 1.00 50.00 H new ATOM 1707 N LYS A 118 -13.184 17.079 15.047 1.00 12.50 N ATOM 1708 CA LYS A 118 -14.342 17.313 14.136 1.00 12.50 C ATOM 1709 C LYS A 118 -14.503 18.811 13.858 1.00 12.50 C ATOM 1710 O LYS A 118 -15.133 19.210 12.899 1.00 12.50 O ATOM 1711 CB LYS A 118 -15.556 16.775 14.894 1.00 12.50 C ATOM 1712 CG LYS A 118 -15.755 17.585 16.178 1.00 12.50 C ATOM 1713 CD LYS A 118 -17.244 17.886 16.366 1.00 12.50 C ATOM 1714 CE LYS A 118 -17.672 18.977 15.382 1.00 50.00 C ATOM 1715 NZ LYS A 118 -18.842 19.637 16.029 1.00 50.00 N ATOM 0 H LYS A 118 -13.391 16.524 15.878 1.00 12.50 H new ATOM 0 HA LYS A 118 -14.214 16.823 13.171 1.00 12.50 H new ATOM 0 HB2 LYS A 118 -16.447 16.839 14.269 1.00 12.50 H new ATOM 0 HB3 LYS A 118 -15.411 15.722 15.134 1.00 12.50 H new ATOM 0 HG2 LYS A 118 -15.375 17.028 17.034 1.00 12.50 H new ATOM 0 HG3 LYS A 118 -15.189 18.515 16.125 1.00 12.50 H new ATOM 0 HD2 LYS A 118 -17.832 16.983 16.203 1.00 12.50 H new ATOM 0 HD3 LYS A 118 -17.434 18.209 17.389 1.00 12.50 H new ATOM 0 HE2 LYS A 118 -16.865 19.688 15.205 1.00 50.00 H new ATOM 0 HE3 LYS A 118 -17.942 18.553 14.415 1.00 50.00 H new ATOM 0 HZ1 LYS A 118 -19.194 20.399 15.415 1.00 50.00 H new ATOM 0 HZ2 LYS A 118 -19.596 18.937 16.179 1.00 50.00 H new ATOM 0 HZ3 LYS A 118 -18.553 20.036 16.945 1.00 50.00 H new ATOM 1726 N HIS A 119 -13.936 19.641 14.690 1.00 50.00 N ATOM 1727 CA HIS A 119 -14.055 21.112 14.473 1.00 50.00 C ATOM 1728 C HIS A 119 -13.174 21.547 13.300 1.00 50.00 C ATOM 1729 O HIS A 119 -13.386 22.582 12.701 1.00 50.00 O ATOM 1730 CB HIS A 119 -13.562 21.742 15.776 1.00 50.00 C ATOM 1731 CG HIS A 119 -14.609 21.578 16.844 1.00 50.00 C ATOM 1732 ND1 HIS A 119 -15.884 22.106 16.715 1.00 50.00 N ATOM 1733 CD2 HIS A 119 -14.584 20.950 18.065 1.00 50.00 C ATOM 1734 CE1 HIS A 119 -16.569 21.788 17.829 1.00 50.00 C ATOM 1735 NE2 HIS A 119 -15.823 21.084 18.685 1.00 50.00 N ATOM 0 H HIS A 119 -13.396 19.365 15.510 1.00 50.00 H new ATOM 0 HA HIS A 119 -15.074 21.414 14.232 1.00 50.00 H new ATOM 0 HB2 HIS A 119 -12.631 21.270 16.090 1.00 50.00 H new ATOM 0 HB3 HIS A 119 -13.348 22.800 15.622 1.00 50.00 H new ATOM 0 HD1 HIS A 119 -16.239 22.639 15.921 1.00 50.00 H new ATOM 0 HD2 HIS A 119 -13.733 20.431 18.481 1.00 50.00 H new ATOM 0 HE1 HIS A 119 -17.596 22.068 18.009 1.00 50.00 H new ATOM 1743 N LEU A 120 -12.184 20.763 12.969 1.00 12.50 N ATOM 1744 CA LEU A 120 -11.286 21.130 11.835 1.00 12.50 C ATOM 1745 C LEU A 120 -12.102 21.679 10.664 1.00 12.50 C ATOM 1746 O LEU A 120 -13.074 21.085 10.239 1.00 12.50 O ATOM 1747 CB LEU A 120 -10.596 19.825 11.438 1.00 12.50 C ATOM 1748 CG LEU A 120 -9.118 19.887 11.828 1.00 12.50 C ATOM 1749 CD1 LEU A 120 -8.676 18.522 12.358 1.00 12.50 C ATOM 1750 CD2 LEU A 120 -8.280 20.253 10.602 1.00 12.50 C ATOM 0 H LEU A 120 -11.958 19.884 13.434 1.00 12.50 H new ATOM 0 HA LEU A 120 -10.571 21.904 12.113 1.00 12.50 H new ATOM 0 HB2 LEU A 120 -11.078 18.982 11.933 1.00 12.50 H new ATOM 0 HB3 LEU A 120 -10.693 19.663 10.365 1.00 12.50 H new ATOM 0 HG LEU A 120 -8.977 20.642 12.601 1.00 12.50 H new ATOM 0 HD11 LEU A 120 -7.623 18.563 12.637 1.00 12.50 H new ATOM 0 HD12 LEU A 120 -9.273 18.260 13.232 1.00 12.50 H new ATOM 0 HD13 LEU A 120 -8.817 17.768 11.584 1.00 12.50 H new ATOM 0 HD21 LEU A 120 -7.227 20.297 10.881 1.00 12.50 H new ATOM 0 HD22 LEU A 120 -8.419 19.498 9.828 1.00 12.50 H new ATOM 0 HD23 LEU A 120 -8.596 21.225 10.222 1.00 12.50 H new