USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 722 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 41 SER OG : rot 180:sc= -3.26! USER MOD Set 1.2: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 22 THR OG1 : rot -133:sc= -0.18 USER MOD Set 2.2: A 74 ASN : amide:sc= 0.147 K(o=-0.032,f=-2.7!) USER MOD Single : A 1 GLY N :NH3+ 146:sc= 0.00737 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 16:sc= 1.55 USER MOD Single : A 11 GLN : amide:sc= -0.319 K(o=-0.32,f=-3.2!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0653 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 151:sc= -0.0131 (180deg=-0.038) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 177:sc= -0.822 (180deg=-0.843) USER MOD Single : A 45 MET CE :methyl 162:sc= -0.0209 (180deg=-0.999) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00779) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HE2:sc= -2.25 K(o=-2.2,f=-11!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -109:sc= -0.261 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0574 X(o=-0.057,f=-0.4) USER MOD Single : A 76 HIS : no HD1:sc= -0.373 X(o=-0.37,f=-0.11) USER MOD Single : A 77 THR OG1 : rot -103:sc= 0.66 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -56:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.610 20.821 15.753 1.00 0.00 N ATOM 2 CA GLY A 1 15.263 19.565 15.112 1.00 0.00 C ATOM 3 C GLY A 1 15.613 19.594 13.623 1.00 0.00 C ATOM 4 O GLY A 1 15.385 20.596 12.947 1.00 0.00 O ATOM 0 H1 GLY A 1 14.920 21.031 16.502 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.561 20.748 16.168 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.598 21.585 15.048 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.793 18.746 15.598 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.197 19.372 15.235 1.00 0.00 H new ATOM 8 N SER A 2 16.162 18.482 13.155 1.00 0.00 N ATOM 9 CA SER A 2 16.546 18.367 11.759 1.00 0.00 C ATOM 10 C SER A 2 16.056 17.035 11.189 1.00 0.00 C ATOM 11 O SER A 2 15.610 16.163 11.934 1.00 0.00 O ATOM 12 CB SER A 2 18.062 18.490 11.593 1.00 0.00 C ATOM 13 OG SER A 2 18.732 17.267 11.887 1.00 0.00 O ATOM 0 H SER A 2 16.350 17.653 13.719 1.00 0.00 H new ATOM 0 HA SER A 2 16.080 19.184 11.208 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.291 18.793 10.571 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.436 19.275 12.250 1.00 0.00 H new ATOM 0 HG SER A 2 19.697 17.386 11.768 1.00 0.00 H new ATOM 19 N SER A 3 16.155 16.918 9.873 1.00 0.00 N ATOM 20 CA SER A 3 15.727 15.706 9.194 1.00 0.00 C ATOM 21 C SER A 3 16.793 15.265 8.190 1.00 0.00 C ATOM 22 O SER A 3 17.564 16.087 7.695 1.00 0.00 O ATOM 23 CB SER A 3 14.386 15.915 8.488 1.00 0.00 C ATOM 24 OG SER A 3 14.413 17.039 7.613 1.00 0.00 O ATOM 0 H SER A 3 16.525 17.643 9.258 1.00 0.00 H new ATOM 0 HA SER A 3 15.595 14.923 9.941 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.132 15.020 7.920 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.602 16.054 9.233 1.00 0.00 H new ATOM 0 HG SER A 3 13.539 17.138 7.180 1.00 0.00 H new ATOM 30 N GLY A 4 16.804 13.968 7.918 1.00 0.00 N ATOM 31 CA GLY A 4 17.763 13.408 6.981 1.00 0.00 C ATOM 32 C GLY A 4 18.388 12.127 7.537 1.00 0.00 C ATOM 33 O GLY A 4 17.810 11.047 7.418 1.00 0.00 O ATOM 0 H GLY A 4 16.164 13.289 8.330 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.269 13.194 6.033 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.545 14.139 6.775 1.00 0.00 H new ATOM 37 N SER A 5 19.560 12.289 8.132 1.00 0.00 N ATOM 38 CA SER A 5 20.270 11.159 8.707 1.00 0.00 C ATOM 39 C SER A 5 20.814 10.261 7.594 1.00 0.00 C ATOM 40 O SER A 5 22.014 10.259 7.324 1.00 0.00 O ATOM 41 CB SER A 5 19.363 10.356 9.641 1.00 0.00 C ATOM 42 OG SER A 5 19.849 10.348 10.981 1.00 0.00 O ATOM 0 H SER A 5 20.036 13.186 8.229 1.00 0.00 H new ATOM 0 HA SER A 5 21.103 11.543 9.295 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.358 10.778 9.622 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.285 9.331 9.278 1.00 0.00 H new ATOM 0 HG SER A 5 19.241 9.827 11.546 1.00 0.00 H new ATOM 48 N SER A 6 19.905 9.521 6.977 1.00 0.00 N ATOM 49 CA SER A 6 20.278 8.621 5.899 1.00 0.00 C ATOM 50 C SER A 6 20.732 9.426 4.680 1.00 0.00 C ATOM 51 O SER A 6 20.347 10.582 4.516 1.00 0.00 O ATOM 52 CB SER A 6 19.116 7.699 5.524 1.00 0.00 C ATOM 53 OG SER A 6 18.908 6.680 6.498 1.00 0.00 O ATOM 0 H SER A 6 18.910 9.526 7.203 1.00 0.00 H new ATOM 0 HA SER A 6 21.103 7.998 6.243 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.206 8.289 5.416 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.315 7.240 4.556 1.00 0.00 H new ATOM 0 HG SER A 6 18.157 6.113 6.223 1.00 0.00 H new ATOM 59 N GLY A 7 21.546 8.782 3.855 1.00 0.00 N ATOM 60 CA GLY A 7 22.057 9.423 2.656 1.00 0.00 C ATOM 61 C GLY A 7 20.915 9.975 1.800 1.00 0.00 C ATOM 62 O GLY A 7 20.472 11.104 2.004 1.00 0.00 O ATOM 0 H GLY A 7 21.864 7.823 3.994 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.733 10.232 2.932 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.638 8.706 2.075 1.00 0.00 H new ATOM 66 N VAL A 8 20.471 9.153 0.861 1.00 0.00 N ATOM 67 CA VAL A 8 19.389 9.544 -0.026 1.00 0.00 C ATOM 68 C VAL A 8 18.429 8.366 -0.204 1.00 0.00 C ATOM 69 O VAL A 8 18.702 7.449 -0.977 1.00 0.00 O ATOM 70 CB VAL A 8 19.958 10.057 -1.351 1.00 0.00 C ATOM 71 CG1 VAL A 8 18.845 10.273 -2.379 1.00 0.00 C ATOM 72 CG2 VAL A 8 20.767 11.339 -1.141 1.00 0.00 C ATOM 0 H VAL A 8 20.841 8.217 0.695 1.00 0.00 H new ATOM 0 HA VAL A 8 18.818 10.365 0.407 1.00 0.00 H new ATOM 0 HB VAL A 8 20.633 9.296 -1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 8 19.276 10.638 -3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.330 9.330 -2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 8 18.134 11.006 -1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 8 21.160 11.682 -2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 8 20.124 12.109 -0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 8 21.594 11.140 -0.460 1.00 0.00 H new ATOM 82 N SER A 9 17.324 8.430 0.525 1.00 0.00 N ATOM 83 CA SER A 9 16.322 7.380 0.457 1.00 0.00 C ATOM 84 C SER A 9 14.965 7.975 0.077 1.00 0.00 C ATOM 85 O SER A 9 14.480 8.894 0.735 1.00 0.00 O ATOM 86 CB SER A 9 16.219 6.630 1.787 1.00 0.00 C ATOM 87 OG SER A 9 15.716 5.308 1.617 1.00 0.00 O ATOM 0 H SER A 9 17.101 9.192 1.165 1.00 0.00 H new ATOM 0 HA SER A 9 16.626 6.667 -0.309 1.00 0.00 H new ATOM 0 HB2 SER A 9 17.202 6.586 2.256 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.567 7.181 2.465 1.00 0.00 H new ATOM 0 HG SER A 9 15.667 4.862 2.488 1.00 0.00 H new ATOM 93 N SER A 10 14.391 7.427 -0.984 1.00 0.00 N ATOM 94 CA SER A 10 13.099 7.893 -1.460 1.00 0.00 C ATOM 95 C SER A 10 13.098 9.419 -1.562 1.00 0.00 C ATOM 96 O SER A 10 12.643 10.106 -0.649 1.00 0.00 O ATOM 97 CB SER A 10 11.971 7.422 -0.540 1.00 0.00 C ATOM 98 OG SER A 10 12.027 8.050 0.738 1.00 0.00 O ATOM 0 H SER A 10 14.796 6.665 -1.527 1.00 0.00 H new ATOM 0 HA SER A 10 12.926 7.469 -2.449 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.009 7.635 -1.007 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.032 6.341 -0.416 1.00 0.00 H new ATOM 0 HG SER A 10 12.614 8.834 0.692 1.00 0.00 H new ATOM 104 N GLN A 11 13.614 9.906 -2.682 1.00 0.00 N ATOM 105 CA GLN A 11 13.678 11.338 -2.915 1.00 0.00 C ATOM 106 C GLN A 11 12.890 11.707 -4.174 1.00 0.00 C ATOM 107 O GLN A 11 13.448 11.750 -5.269 1.00 0.00 O ATOM 108 CB GLN A 11 15.129 11.812 -3.019 1.00 0.00 C ATOM 109 CG GLN A 11 15.220 13.334 -2.888 1.00 0.00 C ATOM 110 CD GLN A 11 15.865 13.733 -1.559 1.00 0.00 C ATOM 111 OE1 GLN A 11 16.352 12.908 -0.804 1.00 0.00 O ATOM 112 NE2 GLN A 11 15.841 15.040 -1.317 1.00 0.00 N ATOM 0 H GLN A 11 13.991 9.334 -3.437 1.00 0.00 H new ATOM 0 HA GLN A 11 13.224 11.845 -2.064 1.00 0.00 H new ATOM 0 HB2 GLN A 11 15.726 11.340 -2.239 1.00 0.00 H new ATOM 0 HB3 GLN A 11 15.550 11.500 -3.975 1.00 0.00 H new ATOM 0 HG2 GLN A 11 15.803 13.739 -3.715 1.00 0.00 H new ATOM 0 HG3 GLN A 11 14.223 13.769 -2.957 1.00 0.00 H new ATOM 0 HE21 GLN A 11 15.417 15.676 -1.992 1.00 0.00 H new ATOM 0 HE22 GLN A 11 16.247 15.407 -0.456 1.00 0.00 H new ATOM 121 N GLU A 12 11.605 11.963 -3.975 1.00 0.00 N ATOM 122 CA GLU A 12 10.735 12.326 -5.081 1.00 0.00 C ATOM 123 C GLU A 12 9.365 12.761 -4.556 1.00 0.00 C ATOM 124 O GLU A 12 8.928 13.883 -4.808 1.00 0.00 O ATOM 125 CB GLU A 12 10.600 11.171 -6.075 1.00 0.00 C ATOM 126 CG GLU A 12 11.029 11.603 -7.479 1.00 0.00 C ATOM 127 CD GLU A 12 10.965 10.429 -8.457 1.00 0.00 C ATOM 128 OE1 GLU A 12 11.580 9.389 -8.137 1.00 0.00 O ATOM 129 OE2 GLU A 12 10.302 10.597 -9.503 1.00 0.00 O ATOM 0 H GLU A 12 11.146 11.926 -3.065 1.00 0.00 H new ATOM 0 HA GLU A 12 11.184 13.166 -5.611 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.211 10.330 -5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.567 10.824 -6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.383 12.408 -7.829 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.044 12.000 -7.447 1.00 0.00 H new ATOM 136 N THR A 13 8.726 11.851 -3.837 1.00 0.00 N ATOM 137 CA THR A 13 7.414 12.126 -3.276 1.00 0.00 C ATOM 138 C THR A 13 7.211 11.336 -1.981 1.00 0.00 C ATOM 139 O THR A 13 7.887 10.335 -1.749 1.00 0.00 O ATOM 140 CB THR A 13 6.366 11.817 -4.347 1.00 0.00 C ATOM 141 OG1 THR A 13 5.132 12.194 -3.744 1.00 0.00 O ATOM 142 CG2 THR A 13 6.215 10.316 -4.601 1.00 0.00 C ATOM 0 H THR A 13 9.092 10.922 -3.630 1.00 0.00 H new ATOM 0 HA THR A 13 7.315 13.175 -2.999 1.00 0.00 H new ATOM 0 HB THR A 13 6.638 12.317 -5.277 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.397 12.028 -4.371 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.459 10.151 -5.369 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.168 9.906 -4.935 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.910 9.820 -3.680 1.00 0.00 H new ATOM 150 N GLN A 14 6.278 11.816 -1.173 1.00 0.00 N ATOM 151 CA GLN A 14 5.978 11.167 0.092 1.00 0.00 C ATOM 152 C GLN A 14 4.735 11.793 0.728 1.00 0.00 C ATOM 153 O GLN A 14 4.367 12.920 0.401 1.00 0.00 O ATOM 154 CB GLN A 14 7.175 11.238 1.042 1.00 0.00 C ATOM 155 CG GLN A 14 7.539 9.849 1.570 1.00 0.00 C ATOM 156 CD GLN A 14 8.151 9.937 2.970 1.00 0.00 C ATOM 157 OE1 GLN A 14 9.312 10.266 3.148 1.00 0.00 O ATOM 158 NE2 GLN A 14 7.307 9.626 3.950 1.00 0.00 N ATOM 0 H GLN A 14 5.720 12.647 -1.369 1.00 0.00 H new ATOM 0 HA GLN A 14 5.772 10.114 -0.102 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.031 11.669 0.523 1.00 0.00 H new ATOM 0 HB3 GLN A 14 6.942 11.899 1.877 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.648 9.222 1.598 1.00 0.00 H new ATOM 0 HG3 GLN A 14 8.244 9.371 0.890 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.347 9.359 3.731 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.619 9.655 4.921 1.00 0.00 H new ATOM 167 N GLY A 15 4.123 11.035 1.626 1.00 0.00 N ATOM 168 CA GLY A 15 2.929 11.501 2.310 1.00 0.00 C ATOM 169 C GLY A 15 2.185 10.338 2.969 1.00 0.00 C ATOM 170 O GLY A 15 2.097 10.266 4.194 1.00 0.00 O ATOM 0 H GLY A 15 4.432 10.101 1.896 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.203 12.237 3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.271 12.002 1.600 1.00 0.00 H new ATOM 174 N GLY A 16 1.668 9.455 2.126 1.00 0.00 N ATOM 175 CA GLY A 16 0.935 8.298 2.611 1.00 0.00 C ATOM 176 C GLY A 16 1.891 7.201 3.083 1.00 0.00 C ATOM 177 O GLY A 16 3.102 7.408 3.135 1.00 0.00 O ATOM 0 H GLY A 16 1.742 9.518 1.111 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.283 8.595 3.432 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.294 7.911 1.819 1.00 0.00 H new ATOM 181 N PRO A 17 1.295 6.027 3.424 1.00 0.00 N ATOM 182 CA PRO A 17 2.080 4.896 3.889 1.00 0.00 C ATOM 183 C PRO A 17 2.816 4.225 2.728 1.00 0.00 C ATOM 184 O PRO A 17 2.456 4.415 1.568 1.00 0.00 O ATOM 185 CB PRO A 17 1.079 3.976 4.569 1.00 0.00 C ATOM 186 CG PRO A 17 -0.289 4.395 4.056 1.00 0.00 C ATOM 187 CD PRO A 17 -0.137 5.746 3.375 1.00 0.00 C ATOM 0 HA PRO A 17 2.868 5.188 4.583 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.283 2.932 4.330 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.135 4.071 5.653 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.677 3.656 3.355 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.002 4.460 4.878 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.499 5.714 2.347 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.710 6.516 3.891 1.00 0.00 H new ATOM 195 N LEU A 18 3.834 3.454 3.082 1.00 0.00 N ATOM 196 CA LEU A 18 4.625 2.754 2.084 1.00 0.00 C ATOM 197 C LEU A 18 4.558 1.249 2.351 1.00 0.00 C ATOM 198 O LEU A 18 4.658 0.813 3.497 1.00 0.00 O ATOM 199 CB LEU A 18 6.050 3.309 2.044 1.00 0.00 C ATOM 200 CG LEU A 18 6.204 4.723 1.481 1.00 0.00 C ATOM 201 CD1 LEU A 18 7.660 5.187 1.556 1.00 0.00 C ATOM 202 CD2 LEU A 18 5.647 4.811 0.059 1.00 0.00 C ATOM 0 H LEU A 18 4.129 3.299 4.046 1.00 0.00 H new ATOM 0 HA LEU A 18 4.215 2.920 1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.452 3.297 3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.665 2.634 1.449 1.00 0.00 H new ATOM 0 HG LEU A 18 5.617 5.402 2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.742 6.195 1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.989 5.187 2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.288 4.510 0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.769 5.827 -0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.186 4.118 -0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.588 4.552 0.066 1.00 0.00 H new ATOM 214 N ALA A 19 4.388 0.496 1.274 1.00 0.00 N ATOM 215 CA ALA A 19 4.307 -0.951 1.377 1.00 0.00 C ATOM 216 C ALA A 19 5.553 -1.478 2.092 1.00 0.00 C ATOM 217 O ALA A 19 6.647 -0.946 1.913 1.00 0.00 O ATOM 218 CB ALA A 19 4.137 -1.554 -0.018 1.00 0.00 C ATOM 0 H ALA A 19 4.304 0.861 0.325 1.00 0.00 H new ATOM 0 HA ALA A 19 3.439 -1.245 1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.076 -2.640 0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.223 -1.171 -0.471 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.991 -1.282 -0.639 1.00 0.00 H new ATOM 224 N PRO A 20 5.339 -2.544 2.909 1.00 0.00 N ATOM 225 CA PRO A 20 6.431 -3.149 3.652 1.00 0.00 C ATOM 226 C PRO A 20 7.321 -3.987 2.732 1.00 0.00 C ATOM 227 O PRO A 20 8.547 -3.904 2.803 1.00 0.00 O ATOM 228 CB PRO A 20 5.760 -3.971 4.740 1.00 0.00 C ATOM 229 CG PRO A 20 4.323 -4.170 4.285 1.00 0.00 C ATOM 230 CD PRO A 20 4.056 -3.200 3.146 1.00 0.00 C ATOM 0 HA PRO A 20 7.103 -2.410 4.088 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.264 -4.928 4.873 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.798 -3.455 5.699 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.166 -5.197 3.956 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.633 -3.990 5.109 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.708 -3.722 2.255 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.285 -2.477 3.414 1.00 0.00 H new ATOM 238 N MET A 21 6.671 -4.777 1.891 1.00 0.00 N ATOM 239 CA MET A 21 7.388 -5.630 0.958 1.00 0.00 C ATOM 240 C MET A 21 6.529 -5.945 -0.268 1.00 0.00 C ATOM 241 O MET A 21 5.307 -5.815 -0.225 1.00 0.00 O ATOM 242 CB MET A 21 7.779 -6.934 1.656 1.00 0.00 C ATOM 243 CG MET A 21 8.813 -7.707 0.835 1.00 0.00 C ATOM 244 SD MET A 21 10.024 -8.446 1.919 1.00 0.00 S ATOM 245 CE MET A 21 9.981 -10.130 1.328 1.00 0.00 C ATOM 0 H MET A 21 5.655 -4.845 1.836 1.00 0.00 H new ATOM 0 HA MET A 21 8.282 -5.103 0.626 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.184 -6.715 2.644 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.893 -7.551 1.805 1.00 0.00 H new ATOM 0 HG2 MET A 21 8.319 -8.481 0.247 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.305 -7.037 0.130 1.00 0.00 H new ATOM 0 HE1 MET A 21 10.684 -10.735 1.901 1.00 0.00 H new ATOM 0 HE2 MET A 21 8.975 -10.532 1.448 1.00 0.00 H new ATOM 0 HE3 MET A 21 10.258 -10.153 0.274 1.00 0.00 H new ATOM 255 N THR A 22 7.203 -6.353 -1.334 1.00 0.00 N ATOM 256 CA THR A 22 6.517 -6.688 -2.570 1.00 0.00 C ATOM 257 C THR A 22 5.555 -7.856 -2.347 1.00 0.00 C ATOM 258 O THR A 22 5.984 -8.999 -2.195 1.00 0.00 O ATOM 259 CB THR A 22 7.576 -6.969 -3.637 1.00 0.00 C ATOM 260 OG1 THR A 22 8.320 -5.755 -3.717 1.00 0.00 O ATOM 261 CG2 THR A 22 6.973 -7.128 -5.034 1.00 0.00 C ATOM 0 H THR A 22 8.217 -6.459 -1.367 1.00 0.00 H new ATOM 0 HA THR A 22 5.898 -5.860 -2.915 1.00 0.00 H new ATOM 0 HB THR A 22 8.125 -7.873 -3.373 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.435 -5.503 -4.657 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.768 -7.326 -5.753 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.269 -7.960 -5.034 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.452 -6.212 -5.312 1.00 0.00 H new ATOM 269 N GLY A 23 4.271 -7.529 -2.333 1.00 0.00 N ATOM 270 CA GLY A 23 3.244 -8.537 -2.131 1.00 0.00 C ATOM 271 C GLY A 23 2.026 -8.265 -3.017 1.00 0.00 C ATOM 272 O GLY A 23 2.116 -7.516 -3.989 1.00 0.00 O ATOM 0 H GLY A 23 3.918 -6.580 -2.458 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.649 -9.524 -2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.941 -8.548 -1.084 1.00 0.00 H new ATOM 276 N THR A 24 0.916 -8.887 -2.649 1.00 0.00 N ATOM 277 CA THR A 24 -0.318 -8.722 -3.398 1.00 0.00 C ATOM 278 C THR A 24 -1.440 -8.238 -2.478 1.00 0.00 C ATOM 279 O THR A 24 -1.573 -8.714 -1.352 1.00 0.00 O ATOM 280 CB THR A 24 -0.631 -10.049 -4.092 1.00 0.00 C ATOM 281 OG1 THR A 24 0.448 -10.226 -5.006 1.00 0.00 O ATOM 282 CG2 THR A 24 -1.868 -9.963 -4.989 1.00 0.00 C ATOM 0 H THR A 24 0.845 -9.506 -1.842 1.00 0.00 H new ATOM 0 HA THR A 24 -0.215 -7.954 -4.165 1.00 0.00 H new ATOM 0 HB THR A 24 -0.780 -10.825 -3.341 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.326 -11.065 -5.498 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.046 -10.931 -5.457 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.734 -9.686 -4.388 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.706 -9.211 -5.761 1.00 0.00 H new ATOM 290 N ILE A 25 -2.218 -7.296 -2.991 1.00 0.00 N ATOM 291 CA ILE A 25 -3.324 -6.742 -2.229 1.00 0.00 C ATOM 292 C ILE A 25 -4.411 -7.807 -2.068 1.00 0.00 C ATOM 293 O ILE A 25 -4.874 -8.381 -3.052 1.00 0.00 O ATOM 294 CB ILE A 25 -3.823 -5.447 -2.874 1.00 0.00 C ATOM 295 CG1 ILE A 25 -2.652 -4.551 -3.281 1.00 0.00 C ATOM 296 CG2 ILE A 25 -4.808 -4.721 -1.954 1.00 0.00 C ATOM 297 CD1 ILE A 25 -1.661 -4.386 -2.128 1.00 0.00 C ATOM 0 H ILE A 25 -2.104 -6.902 -3.925 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.996 -6.467 -1.227 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.363 -5.705 -3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.143 -4.981 -4.144 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.026 -3.574 -3.586 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.148 -3.804 -2.436 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.664 -5.366 -1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.314 -4.476 -1.014 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.838 -3.745 -2.444 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.167 -3.933 -1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.270 -5.362 -1.842 1.00 0.00 H new ATOM 309 N GLU A 26 -4.786 -8.039 -0.818 1.00 0.00 N ATOM 310 CA GLU A 26 -5.810 -9.025 -0.516 1.00 0.00 C ATOM 311 C GLU A 26 -7.137 -8.332 -0.198 1.00 0.00 C ATOM 312 O GLU A 26 -8.174 -8.683 -0.757 1.00 0.00 O ATOM 313 CB GLU A 26 -5.374 -9.931 0.638 1.00 0.00 C ATOM 314 CG GLU A 26 -6.469 -10.942 0.984 1.00 0.00 C ATOM 315 CD GLU A 26 -6.793 -10.909 2.479 1.00 0.00 C ATOM 316 OE1 GLU A 26 -6.112 -11.645 3.224 1.00 0.00 O ATOM 317 OE2 GLU A 26 -7.715 -10.147 2.842 1.00 0.00 O ATOM 0 H GLU A 26 -4.399 -7.562 -0.004 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.953 -9.654 -1.395 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.460 -10.458 0.366 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.143 -9.325 1.514 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.368 -10.721 0.408 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.147 -11.944 0.700 1.00 0.00 H new ATOM 324 N LYS A 27 -7.060 -7.361 0.700 1.00 0.00 N ATOM 325 CA LYS A 27 -8.242 -6.616 1.099 1.00 0.00 C ATOM 326 C LYS A 27 -7.901 -5.126 1.168 1.00 0.00 C ATOM 327 O LYS A 27 -6.786 -4.757 1.534 1.00 0.00 O ATOM 328 CB LYS A 27 -8.814 -7.177 2.402 1.00 0.00 C ATOM 329 CG LYS A 27 -9.825 -8.292 2.122 1.00 0.00 C ATOM 330 CD LYS A 27 -11.259 -7.781 2.270 1.00 0.00 C ATOM 331 CE LYS A 27 -12.067 -8.679 3.209 1.00 0.00 C ATOM 332 NZ LYS A 27 -13.356 -9.053 2.587 1.00 0.00 N ATOM 0 H LYS A 27 -6.198 -7.073 1.163 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.032 -6.729 0.357 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.005 -7.562 3.022 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.295 -6.378 2.966 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.675 -8.679 1.114 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.658 -9.121 2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.248 -6.762 2.656 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.739 -7.746 1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.496 -9.577 3.444 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.248 -8.161 4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.892 -9.662 3.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.906 -8.194 2.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.178 -9.566 1.700 1.00 0.00 H new ATOM 346 N VAL A 28 -8.882 -4.310 0.812 1.00 0.00 N ATOM 347 CA VAL A 28 -8.700 -2.868 0.829 1.00 0.00 C ATOM 348 C VAL A 28 -9.817 -2.227 1.655 1.00 0.00 C ATOM 349 O VAL A 28 -10.910 -1.985 1.145 1.00 0.00 O ATOM 350 CB VAL A 28 -8.631 -2.332 -0.602 1.00 0.00 C ATOM 351 CG1 VAL A 28 -8.817 -0.814 -0.628 1.00 0.00 C ATOM 352 CG2 VAL A 28 -7.319 -2.736 -1.276 1.00 0.00 C ATOM 0 H VAL A 28 -9.806 -4.620 0.510 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.754 -2.608 1.304 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.449 -2.779 -1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.764 -0.458 -1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.789 -0.559 -0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.031 -0.341 -0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.296 -2.342 -2.292 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.480 -2.331 -0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.245 -3.823 -1.306 1.00 0.00 H new ATOM 362 N PHE A 29 -9.505 -1.971 2.917 1.00 0.00 N ATOM 363 CA PHE A 29 -10.469 -1.363 3.818 1.00 0.00 C ATOM 364 C PHE A 29 -10.275 0.153 3.887 1.00 0.00 C ATOM 365 O PHE A 29 -10.213 0.726 4.974 1.00 0.00 O ATOM 366 CB PHE A 29 -10.224 -1.960 5.205 1.00 0.00 C ATOM 367 CG PHE A 29 -10.257 -3.490 5.239 1.00 0.00 C ATOM 368 CD1 PHE A 29 -11.346 -4.157 4.770 1.00 0.00 C ATOM 369 CD2 PHE A 29 -9.198 -4.182 5.737 1.00 0.00 C ATOM 370 CE1 PHE A 29 -11.376 -5.576 4.802 1.00 0.00 C ATOM 371 CE2 PHE A 29 -9.228 -5.601 5.768 1.00 0.00 C ATOM 372 CZ PHE A 29 -10.317 -6.268 5.300 1.00 0.00 C ATOM 0 H PHE A 29 -8.598 -2.174 3.337 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.482 -1.557 3.465 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.255 -1.620 5.570 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -10.977 -1.575 5.893 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.187 -3.607 4.374 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.334 -3.652 6.109 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.241 -6.106 4.431 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.386 -6.151 6.163 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.340 -7.347 5.324 1.00 0.00 H new ATOM 382 N VAL A 30 -10.184 0.760 2.712 1.00 0.00 N ATOM 383 CA VAL A 30 -9.998 2.198 2.626 1.00 0.00 C ATOM 384 C VAL A 30 -10.705 2.725 1.376 1.00 0.00 C ATOM 385 O VAL A 30 -11.437 1.989 0.715 1.00 0.00 O ATOM 386 CB VAL A 30 -8.506 2.536 2.656 1.00 0.00 C ATOM 387 CG1 VAL A 30 -7.882 2.142 3.996 1.00 0.00 C ATOM 388 CG2 VAL A 30 -7.770 1.870 1.491 1.00 0.00 C ATOM 0 H VAL A 30 -10.236 0.282 1.813 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.447 2.693 3.487 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.404 3.615 2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.821 2.393 3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.379 2.682 4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.001 1.070 4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.711 2.126 1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.885 0.788 1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.189 2.221 0.548 1.00 0.00 H new ATOM 398 N LYS A 31 -10.461 3.996 1.088 1.00 0.00 N ATOM 399 CA LYS A 31 -11.066 4.629 -0.071 1.00 0.00 C ATOM 400 C LYS A 31 -10.644 6.099 -0.121 1.00 0.00 C ATOM 401 O LYS A 31 -9.758 6.520 0.620 1.00 0.00 O ATOM 402 CB LYS A 31 -12.582 4.425 -0.065 1.00 0.00 C ATOM 403 CG LYS A 31 -13.180 4.803 1.292 1.00 0.00 C ATOM 404 CD LYS A 31 -14.077 6.037 1.171 1.00 0.00 C ATOM 405 CE LYS A 31 -15.432 5.673 0.563 1.00 0.00 C ATOM 406 NZ LYS A 31 -15.587 6.296 -0.770 1.00 0.00 N ATOM 0 H LYS A 31 -9.853 4.603 1.637 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.709 4.162 -0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.037 5.031 -0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.814 3.384 -0.291 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.758 3.966 1.685 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.379 5.000 2.004 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.224 6.482 2.155 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.587 6.788 0.552 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.519 4.590 0.477 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -16.234 6.006 1.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.207 5.705 -1.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.008 7.241 -0.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.655 6.380 -1.224 1.00 0.00 H new ATOM 420 N ALA A 32 -11.299 6.840 -1.003 1.00 0.00 N ATOM 421 CA ALA A 32 -11.003 8.254 -1.160 1.00 0.00 C ATOM 422 C ALA A 32 -12.013 9.074 -0.355 1.00 0.00 C ATOM 423 O ALA A 32 -13.202 8.756 -0.336 1.00 0.00 O ATOM 424 CB ALA A 32 -11.010 8.616 -2.646 1.00 0.00 C ATOM 0 H ALA A 32 -12.034 6.488 -1.616 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.010 8.483 -0.774 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.788 9.677 -2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.255 8.027 -3.167 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.992 8.402 -3.068 1.00 0.00 H new ATOM 430 N GLY A 33 -11.505 10.114 0.289 1.00 0.00 N ATOM 431 CA GLY A 33 -12.348 10.982 1.093 1.00 0.00 C ATOM 432 C GLY A 33 -12.869 10.248 2.330 1.00 0.00 C ATOM 433 O GLY A 33 -13.936 10.576 2.847 1.00 0.00 O ATOM 0 H GLY A 33 -10.519 10.375 0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.782 11.862 1.399 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.188 11.335 0.495 1.00 0.00 H new ATOM 437 N ASP A 34 -12.091 9.269 2.769 1.00 0.00 N ATOM 438 CA ASP A 34 -12.461 8.486 3.936 1.00 0.00 C ATOM 439 C ASP A 34 -11.687 8.996 5.153 1.00 0.00 C ATOM 440 O ASP A 34 -10.809 9.847 5.023 1.00 0.00 O ATOM 441 CB ASP A 34 -12.115 7.009 3.740 1.00 0.00 C ATOM 442 CG ASP A 34 -13.168 6.024 4.252 1.00 0.00 C ATOM 443 OD1 ASP A 34 -14.270 6.501 4.598 1.00 0.00 O ATOM 444 OD2 ASP A 34 -12.847 4.817 4.285 1.00 0.00 O ATOM 0 H ASP A 34 -11.207 9.000 2.338 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.536 8.588 4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.955 6.827 2.677 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.171 6.803 4.244 1.00 0.00 H new ATOM 449 N LYS A 35 -12.041 8.453 6.309 1.00 0.00 N ATOM 450 CA LYS A 35 -11.390 8.843 7.549 1.00 0.00 C ATOM 451 C LYS A 35 -10.843 7.596 8.246 1.00 0.00 C ATOM 452 O LYS A 35 -11.533 6.582 8.345 1.00 0.00 O ATOM 453 CB LYS A 35 -12.343 9.665 8.419 1.00 0.00 C ATOM 454 CG LYS A 35 -12.953 10.821 7.623 1.00 0.00 C ATOM 455 CD LYS A 35 -14.335 10.446 7.084 1.00 0.00 C ATOM 456 CE LYS A 35 -15.233 11.680 6.972 1.00 0.00 C ATOM 457 NZ LYS A 35 -16.386 11.403 6.086 1.00 0.00 N ATOM 0 H LYS A 35 -12.770 7.747 6.413 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.540 9.494 7.345 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.137 9.023 8.801 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.806 10.057 9.283 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.034 11.703 8.259 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.295 11.084 6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.233 9.976 6.106 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.799 9.712 7.743 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.588 11.970 7.961 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.659 12.520 6.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.985 12.251 6.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.042 11.148 5.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.942 10.615 6.476 1.00 0.00 H new ATOM 471 N VAL A 36 -9.607 7.711 8.711 1.00 0.00 N ATOM 472 CA VAL A 36 -8.959 6.606 9.396 1.00 0.00 C ATOM 473 C VAL A 36 -8.325 7.115 10.691 1.00 0.00 C ATOM 474 O VAL A 36 -8.220 8.323 10.902 1.00 0.00 O ATOM 475 CB VAL A 36 -7.953 5.930 8.463 1.00 0.00 C ATOM 476 CG1 VAL A 36 -8.667 5.184 7.333 1.00 0.00 C ATOM 477 CG2 VAL A 36 -6.955 6.946 7.904 1.00 0.00 C ATOM 0 H VAL A 36 -9.038 8.553 8.626 1.00 0.00 H new ATOM 0 HA VAL A 36 -9.690 5.845 9.670 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.395 5.198 9.047 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.928 4.713 6.685 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -9.319 4.420 7.756 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -9.263 5.888 6.752 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.251 6.439 7.244 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.491 7.712 7.344 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.411 7.412 8.726 1.00 0.00 H new ATOM 487 N LYS A 37 -7.918 6.170 11.525 1.00 0.00 N ATOM 488 CA LYS A 37 -7.296 6.508 12.795 1.00 0.00 C ATOM 489 C LYS A 37 -5.937 5.814 12.893 1.00 0.00 C ATOM 490 O LYS A 37 -5.818 4.628 12.588 1.00 0.00 O ATOM 491 CB LYS A 37 -8.238 6.184 13.956 1.00 0.00 C ATOM 492 CG LYS A 37 -9.491 7.061 13.907 1.00 0.00 C ATOM 493 CD LYS A 37 -9.384 8.227 14.891 1.00 0.00 C ATOM 494 CE LYS A 37 -10.520 8.187 15.915 1.00 0.00 C ATOM 495 NZ LYS A 37 -10.298 7.099 16.894 1.00 0.00 N ATOM 0 H LYS A 37 -8.007 5.170 11.347 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.111 7.581 12.855 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.524 5.133 13.915 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.720 6.337 14.903 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.631 7.445 12.897 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.369 6.460 14.144 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.424 8.186 15.406 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.414 9.171 14.346 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.584 9.144 16.434 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.472 8.037 15.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.078 7.086 17.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.260 6.187 16.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.400 7.259 17.393 1.00 0.00 H new ATOM 509 N ALA A 38 -4.945 6.582 13.320 1.00 0.00 N ATOM 510 CA ALA A 38 -3.598 6.055 13.462 1.00 0.00 C ATOM 511 C ALA A 38 -3.667 4.641 14.042 1.00 0.00 C ATOM 512 O ALA A 38 -4.096 4.453 15.179 1.00 0.00 O ATOM 513 CB ALA A 38 -2.769 7.002 14.331 1.00 0.00 C ATOM 0 H ALA A 38 -5.047 7.565 13.572 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.107 5.989 12.491 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.759 6.607 14.438 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.727 7.984 13.861 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.230 7.090 15.315 1.00 0.00 H new ATOM 519 N GLY A 39 -3.238 3.682 13.234 1.00 0.00 N ATOM 520 CA GLY A 39 -3.246 2.291 13.653 1.00 0.00 C ATOM 521 C GLY A 39 -4.539 1.596 13.222 1.00 0.00 C ATOM 522 O GLY A 39 -5.137 0.853 13.999 1.00 0.00 O ATOM 0 H GLY A 39 -2.883 3.841 12.291 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.389 1.773 13.222 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.142 2.233 14.736 1.00 0.00 H new ATOM 526 N ASP A 40 -4.933 1.863 11.986 1.00 0.00 N ATOM 527 CA ASP A 40 -6.145 1.272 11.443 1.00 0.00 C ATOM 528 C ASP A 40 -5.778 0.336 10.290 1.00 0.00 C ATOM 529 O ASP A 40 -4.801 0.572 9.580 1.00 0.00 O ATOM 530 CB ASP A 40 -7.085 2.348 10.897 1.00 0.00 C ATOM 531 CG ASP A 40 -8.175 2.807 11.868 1.00 0.00 C ATOM 532 OD1 ASP A 40 -7.866 2.878 13.077 1.00 0.00 O ATOM 533 OD2 ASP A 40 -9.294 3.077 11.379 1.00 0.00 O ATOM 0 H ASP A 40 -4.435 2.480 11.345 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.645 0.730 12.246 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.491 3.214 10.605 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.561 1.969 9.993 1.00 0.00 H new ATOM 538 N SER A 41 -6.581 -0.707 10.138 1.00 0.00 N ATOM 539 CA SER A 41 -6.353 -1.680 9.083 1.00 0.00 C ATOM 540 C SER A 41 -6.749 -1.086 7.730 1.00 0.00 C ATOM 541 O SER A 41 -7.890 -1.230 7.294 1.00 0.00 O ATOM 542 CB SER A 41 -7.133 -2.970 9.345 1.00 0.00 C ATOM 543 OG SER A 41 -6.273 -4.055 9.682 1.00 0.00 O ATOM 0 H SER A 41 -7.390 -0.900 10.728 1.00 0.00 H new ATOM 0 HA SER A 41 -5.291 -1.926 9.068 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.844 -2.806 10.155 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.713 -3.229 8.459 1.00 0.00 H new ATOM 0 HG SER A 41 -6.809 -4.859 9.843 1.00 0.00 H new ATOM 549 N LEU A 42 -5.783 -0.432 7.101 1.00 0.00 N ATOM 550 CA LEU A 42 -6.016 0.184 5.806 1.00 0.00 C ATOM 551 C LEU A 42 -6.348 -0.903 4.782 1.00 0.00 C ATOM 552 O LEU A 42 -7.485 -1.002 4.323 1.00 0.00 O ATOM 553 CB LEU A 42 -4.828 1.062 5.408 1.00 0.00 C ATOM 554 CG LEU A 42 -4.479 2.197 6.374 1.00 0.00 C ATOM 555 CD1 LEU A 42 -3.233 2.951 5.906 1.00 0.00 C ATOM 556 CD2 LEU A 42 -5.674 3.132 6.574 1.00 0.00 C ATOM 0 H LEU A 42 -4.837 -0.315 7.465 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.875 0.853 5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.951 0.424 5.297 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.034 1.495 4.429 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.245 1.761 7.345 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.007 3.752 6.610 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.389 2.263 5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.414 3.376 4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.400 3.930 7.264 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.962 3.564 5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.512 2.569 6.984 1.00 0.00 H new ATOM 568 N MET A 43 -5.335 -1.691 4.454 1.00 0.00 N ATOM 569 CA MET A 43 -5.505 -2.767 3.492 1.00 0.00 C ATOM 570 C MET A 43 -4.740 -4.018 3.928 1.00 0.00 C ATOM 571 O MET A 43 -4.036 -3.999 4.937 1.00 0.00 O ATOM 572 CB MET A 43 -5.001 -2.311 2.121 1.00 0.00 C ATOM 573 CG MET A 43 -5.762 -1.074 1.641 1.00 0.00 C ATOM 574 SD MET A 43 -4.640 0.304 1.468 1.00 0.00 S ATOM 575 CE MET A 43 -4.251 0.170 -0.269 1.00 0.00 C ATOM 0 H MET A 43 -4.394 -1.606 4.837 1.00 0.00 H new ATOM 0 HA MET A 43 -6.565 -3.014 3.435 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.936 -2.088 2.177 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.120 -3.119 1.399 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.245 -1.282 0.686 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.551 -0.824 2.350 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.598 0.993 -0.560 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.747 -0.778 -0.457 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.171 0.213 -0.852 1.00 0.00 H new ATOM 585 N VAL A 44 -4.902 -5.075 3.146 1.00 0.00 N ATOM 586 CA VAL A 44 -4.235 -6.332 3.438 1.00 0.00 C ATOM 587 C VAL A 44 -3.426 -6.772 2.216 1.00 0.00 C ATOM 588 O VAL A 44 -3.907 -6.689 1.087 1.00 0.00 O ATOM 589 CB VAL A 44 -5.260 -7.377 3.884 1.00 0.00 C ATOM 590 CG1 VAL A 44 -4.593 -8.733 4.123 1.00 0.00 C ATOM 591 CG2 VAL A 44 -6.013 -6.909 5.131 1.00 0.00 C ATOM 0 H VAL A 44 -5.486 -5.087 2.310 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.535 -6.209 4.264 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.986 -7.498 3.080 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.344 -9.457 4.439 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.124 -9.075 3.201 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.835 -8.634 4.900 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.735 -7.670 5.427 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.305 -6.745 5.943 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.536 -5.978 4.912 1.00 0.00 H new ATOM 601 N MET A 45 -2.212 -7.229 2.483 1.00 0.00 N ATOM 602 CA MET A 45 -1.332 -7.681 1.419 1.00 0.00 C ATOM 603 C MET A 45 -0.924 -9.141 1.629 1.00 0.00 C ATOM 604 O MET A 45 -1.136 -9.700 2.704 1.00 0.00 O ATOM 605 CB MET A 45 -0.081 -6.802 1.383 1.00 0.00 C ATOM 606 CG MET A 45 -0.348 -5.499 0.625 1.00 0.00 C ATOM 607 SD MET A 45 1.089 -4.443 0.701 1.00 0.00 S ATOM 608 CE MET A 45 2.181 -5.324 -0.402 1.00 0.00 C ATOM 0 H MET A 45 -1.817 -7.296 3.421 1.00 0.00 H new ATOM 0 HA MET A 45 -1.868 -7.605 0.473 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.239 -6.576 2.400 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.735 -7.344 0.905 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.595 -5.717 -0.414 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.209 -4.988 1.056 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.986 -4.662 -0.723 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.604 -6.185 0.116 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.621 -5.663 -1.274 1.00 0.00 H new ATOM 618 N ILE A 46 -0.346 -9.716 0.585 1.00 0.00 N ATOM 619 CA ILE A 46 0.093 -11.100 0.641 1.00 0.00 C ATOM 620 C ILE A 46 1.447 -11.230 -0.060 1.00 0.00 C ATOM 621 O ILE A 46 1.537 -11.076 -1.277 1.00 0.00 O ATOM 622 CB ILE A 46 -0.984 -12.028 0.074 1.00 0.00 C ATOM 623 CG1 ILE A 46 -2.338 -11.763 0.735 1.00 0.00 C ATOM 624 CG2 ILE A 46 -0.564 -13.494 0.195 1.00 0.00 C ATOM 625 CD1 ILE A 46 -2.379 -12.339 2.152 1.00 0.00 C ATOM 0 H ILE A 46 -0.171 -9.249 -0.305 1.00 0.00 H new ATOM 0 HA ILE A 46 0.237 -11.412 1.675 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.096 -11.813 -0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.526 -10.690 0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.133 -12.207 0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.347 -14.132 -0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.361 -13.654 -0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.407 -13.742 1.245 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.352 -12.137 2.599 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.215 -13.416 2.112 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.599 -11.875 2.756 1.00 0.00 H new ATOM 637 N ALA A 47 2.466 -11.512 0.738 1.00 0.00 N ATOM 638 CA ALA A 47 3.811 -11.664 0.210 1.00 0.00 C ATOM 639 C ALA A 47 4.113 -13.151 0.014 1.00 0.00 C ATOM 640 O ALA A 47 3.896 -13.695 -1.067 1.00 0.00 O ATOM 641 CB ALA A 47 4.809 -10.985 1.150 1.00 0.00 C ATOM 0 H ALA A 47 2.387 -11.639 1.747 1.00 0.00 H new ATOM 0 HA ALA A 47 3.898 -11.179 -0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.818 -11.099 0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.569 -9.925 1.231 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.752 -11.446 2.136 1.00 0.00 H new ATOM 647 N MET A 48 4.608 -13.766 1.078 1.00 0.00 N ATOM 648 CA MET A 48 4.941 -15.180 1.037 1.00 0.00 C ATOM 649 C MET A 48 3.916 -16.008 1.814 1.00 0.00 C ATOM 650 O MET A 48 4.092 -16.262 3.004 1.00 0.00 O ATOM 651 CB MET A 48 6.332 -15.394 1.639 1.00 0.00 C ATOM 652 CG MET A 48 7.425 -15.135 0.599 1.00 0.00 C ATOM 653 SD MET A 48 8.340 -16.636 0.289 1.00 0.00 S ATOM 654 CE MET A 48 9.279 -16.136 -1.144 1.00 0.00 C ATOM 0 H MET A 48 4.786 -13.311 1.973 1.00 0.00 H new ATOM 0 HA MET A 48 4.930 -15.507 -0.003 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.470 -14.728 2.491 1.00 0.00 H new ATOM 0 HB3 MET A 48 6.417 -16.414 2.015 1.00 0.00 H new ATOM 0 HG2 MET A 48 6.979 -14.773 -0.327 1.00 0.00 H new ATOM 0 HG3 MET A 48 8.099 -14.355 0.954 1.00 0.00 H new ATOM 0 HE1 MET A 48 9.910 -16.962 -1.472 1.00 0.00 H new ATOM 0 HE2 MET A 48 8.597 -15.859 -1.948 1.00 0.00 H new ATOM 0 HE3 MET A 48 9.905 -15.281 -0.889 1.00 0.00 H new ATOM 664 N LYS A 49 2.867 -16.405 1.109 1.00 0.00 N ATOM 665 CA LYS A 49 1.813 -17.199 1.717 1.00 0.00 C ATOM 666 C LYS A 49 1.503 -16.645 3.109 1.00 0.00 C ATOM 667 O LYS A 49 1.077 -17.385 3.995 1.00 0.00 O ATOM 668 CB LYS A 49 2.191 -18.682 1.715 1.00 0.00 C ATOM 669 CG LYS A 49 1.049 -19.538 1.162 1.00 0.00 C ATOM 670 CD LYS A 49 -0.025 -19.772 2.226 1.00 0.00 C ATOM 671 CE LYS A 49 -1.244 -20.478 1.627 1.00 0.00 C ATOM 672 NZ LYS A 49 -0.924 -21.889 1.314 1.00 0.00 N ATOM 0 H LYS A 49 2.724 -16.191 0.122 1.00 0.00 H new ATOM 0 HA LYS A 49 0.896 -17.127 1.133 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.087 -18.832 1.113 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.431 -19.001 2.729 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.607 -19.045 0.296 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.441 -20.495 0.819 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.386 -20.373 3.037 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.328 -18.818 2.658 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.078 -20.435 2.328 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.562 -19.962 0.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.776 -22.367 0.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.178 -21.923 0.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.594 -22.369 2.175 1.00 0.00 H new ATOM 686 N MET A 50 1.727 -15.348 3.258 1.00 0.00 N ATOM 687 CA MET A 50 1.476 -14.687 4.528 1.00 0.00 C ATOM 688 C MET A 50 0.645 -13.417 4.330 1.00 0.00 C ATOM 689 O MET A 50 0.780 -12.735 3.315 1.00 0.00 O ATOM 690 CB MET A 50 2.809 -14.327 5.188 1.00 0.00 C ATOM 691 CG MET A 50 2.615 -13.259 6.267 1.00 0.00 C ATOM 692 SD MET A 50 1.712 -13.943 7.647 1.00 0.00 S ATOM 693 CE MET A 50 3.067 -14.325 8.745 1.00 0.00 C ATOM 0 H MET A 50 2.079 -14.737 2.521 1.00 0.00 H new ATOM 0 HA MET A 50 0.916 -15.369 5.167 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.253 -15.219 5.630 1.00 0.00 H new ATOM 0 HB3 MET A 50 3.507 -13.964 4.433 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.584 -12.889 6.603 1.00 0.00 H new ATOM 0 HG3 MET A 50 2.074 -12.407 5.854 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.678 -14.764 9.664 1.00 0.00 H new ATOM 0 HE2 MET A 50 3.739 -15.033 8.261 1.00 0.00 H new ATOM 0 HE3 MET A 50 3.612 -13.411 8.982 1.00 0.00 H new ATOM 703 N GLU A 51 -0.196 -13.139 5.315 1.00 0.00 N ATOM 704 CA GLU A 51 -1.048 -11.964 5.262 1.00 0.00 C ATOM 705 C GLU A 51 -0.468 -10.847 6.131 1.00 0.00 C ATOM 706 O GLU A 51 0.023 -11.103 7.230 1.00 0.00 O ATOM 707 CB GLU A 51 -2.478 -12.304 5.688 1.00 0.00 C ATOM 708 CG GLU A 51 -3.178 -11.081 6.283 1.00 0.00 C ATOM 709 CD GLU A 51 -4.621 -11.410 6.672 1.00 0.00 C ATOM 710 OE1 GLU A 51 -4.788 -12.103 7.699 1.00 0.00 O ATOM 711 OE2 GLU A 51 -5.525 -10.962 5.934 1.00 0.00 O ATOM 0 H GLU A 51 -0.305 -13.708 6.155 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.085 -11.613 4.231 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.041 -12.667 4.828 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.461 -13.110 6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.631 -10.735 7.160 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.169 -10.265 5.560 1.00 0.00 H new ATOM 718 N HIS A 52 -0.543 -9.633 5.607 1.00 0.00 N ATOM 719 CA HIS A 52 -0.032 -8.476 6.322 1.00 0.00 C ATOM 720 C HIS A 52 -1.129 -7.416 6.435 1.00 0.00 C ATOM 721 O HIS A 52 -2.010 -7.336 5.581 1.00 0.00 O ATOM 722 CB HIS A 52 1.240 -7.945 5.657 1.00 0.00 C ATOM 723 CG HIS A 52 1.973 -8.971 4.827 1.00 0.00 C ATOM 724 ND1 HIS A 52 2.759 -9.964 5.386 1.00 0.00 N ATOM 725 CD2 HIS A 52 2.032 -9.148 3.476 1.00 0.00 C ATOM 726 CE1 HIS A 52 3.263 -10.700 4.406 1.00 0.00 C ATOM 727 NE2 HIS A 52 2.812 -10.192 3.223 1.00 0.00 N ATOM 0 H HIS A 52 -0.950 -9.425 4.695 1.00 0.00 H new ATOM 0 HA HIS A 52 0.250 -8.765 7.334 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.979 -7.098 5.022 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.912 -7.570 6.429 1.00 0.00 H new ATOM 0 HD1 HIS A 52 2.922 -10.105 6.383 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.529 -8.542 2.737 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.916 -11.552 4.523 1.00 0.00 H new ATOM 735 N THR A 53 -1.039 -6.628 7.497 1.00 0.00 N ATOM 736 CA THR A 53 -2.013 -5.576 7.733 1.00 0.00 C ATOM 737 C THR A 53 -1.328 -4.209 7.749 1.00 0.00 C ATOM 738 O THR A 53 -0.676 -3.848 8.728 1.00 0.00 O ATOM 739 CB THR A 53 -2.753 -5.900 9.033 1.00 0.00 C ATOM 740 OG1 THR A 53 -3.533 -7.049 8.712 1.00 0.00 O ATOM 741 CG2 THR A 53 -3.790 -4.836 9.397 1.00 0.00 C ATOM 0 H THR A 53 -0.306 -6.697 8.203 1.00 0.00 H new ATOM 0 HA THR A 53 -2.746 -5.528 6.928 1.00 0.00 H new ATOM 0 HB THR A 53 -2.033 -5.998 9.845 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.044 -7.328 9.500 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.286 -5.114 10.327 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.295 -3.873 9.524 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.530 -4.761 8.600 1.00 0.00 H new ATOM 749 N ILE A 54 -1.499 -3.484 6.653 1.00 0.00 N ATOM 750 CA ILE A 54 -0.906 -2.164 6.528 1.00 0.00 C ATOM 751 C ILE A 54 -1.634 -1.192 7.459 1.00 0.00 C ATOM 752 O ILE A 54 -2.667 -0.633 7.092 1.00 0.00 O ATOM 753 CB ILE A 54 -0.890 -1.719 5.065 1.00 0.00 C ATOM 754 CG1 ILE A 54 0.181 -2.474 4.274 1.00 0.00 C ATOM 755 CG2 ILE A 54 -0.722 -0.203 4.954 1.00 0.00 C ATOM 756 CD1 ILE A 54 -0.299 -3.879 3.904 1.00 0.00 C ATOM 0 H ILE A 54 -2.040 -3.786 5.843 1.00 0.00 H new ATOM 0 HA ILE A 54 0.138 -2.185 6.841 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.854 -1.969 4.622 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.428 -1.920 3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.094 -2.542 4.865 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.714 0.086 3.903 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.550 0.293 5.460 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.218 0.094 5.419 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.481 -4.394 3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.522 -4.439 4.813 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.199 -3.807 3.293 1.00 0.00 H new ATOM 768 N LYS A 55 -1.067 -1.020 8.644 1.00 0.00 N ATOM 769 CA LYS A 55 -1.650 -0.125 9.629 1.00 0.00 C ATOM 770 C LYS A 55 -1.243 1.315 9.308 1.00 0.00 C ATOM 771 O LYS A 55 -0.060 1.608 9.145 1.00 0.00 O ATOM 772 CB LYS A 55 -1.275 -0.569 11.044 1.00 0.00 C ATOM 773 CG LYS A 55 -1.891 -1.930 11.373 1.00 0.00 C ATOM 774 CD LYS A 55 -2.745 -1.854 12.641 1.00 0.00 C ATOM 775 CE LYS A 55 -3.622 -3.098 12.786 1.00 0.00 C ATOM 776 NZ LYS A 55 -5.033 -2.714 13.016 1.00 0.00 N ATOM 0 H LYS A 55 -0.210 -1.485 8.944 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.738 -0.166 9.584 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.190 -0.625 11.136 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.618 0.173 11.765 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.504 -2.267 10.537 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.100 -2.668 11.507 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.099 -1.756 13.514 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.373 -0.964 12.608 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.547 -3.710 11.887 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.265 -3.707 13.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.615 -3.571 13.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.102 -2.149 13.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.375 -2.152 12.211 1.00 0.00 H new ATOM 790 N SER A 56 -2.247 2.175 9.227 1.00 0.00 N ATOM 791 CA SER A 56 -2.009 3.577 8.928 1.00 0.00 C ATOM 792 C SER A 56 -0.878 4.115 9.807 1.00 0.00 C ATOM 793 O SER A 56 -0.793 3.782 10.988 1.00 0.00 O ATOM 794 CB SER A 56 -3.278 4.407 9.130 1.00 0.00 C ATOM 795 OG SER A 56 -3.406 5.435 8.152 1.00 0.00 O ATOM 0 H SER A 56 -3.227 1.928 9.363 1.00 0.00 H new ATOM 0 HA SER A 56 -1.717 3.658 7.881 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.149 3.754 9.085 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.265 4.853 10.125 1.00 0.00 H new ATOM 0 HG SER A 56 -3.250 6.307 8.572 1.00 0.00 H new ATOM 801 N PRO A 57 -0.014 4.958 9.180 1.00 0.00 N ATOM 802 CA PRO A 57 1.109 5.544 9.892 1.00 0.00 C ATOM 803 C PRO A 57 0.642 6.662 10.826 1.00 0.00 C ATOM 804 O PRO A 57 1.261 6.911 11.860 1.00 0.00 O ATOM 805 CB PRO A 57 2.051 6.034 8.805 1.00 0.00 C ATOM 806 CG PRO A 57 1.216 6.124 7.538 1.00 0.00 C ATOM 807 CD PRO A 57 -0.083 5.373 7.782 1.00 0.00 C ATOM 0 HA PRO A 57 1.612 4.831 10.545 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.474 7.005 9.063 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.887 5.347 8.674 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.014 7.165 7.287 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.754 5.692 6.694 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.949 6.010 7.600 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.174 4.514 7.118 1.00 0.00 H new ATOM 815 N LYS A 58 -0.447 7.305 10.430 1.00 0.00 N ATOM 816 CA LYS A 58 -1.004 8.390 11.219 1.00 0.00 C ATOM 817 C LYS A 58 -2.435 8.669 10.756 1.00 0.00 C ATOM 818 O LYS A 58 -2.907 8.070 9.791 1.00 0.00 O ATOM 819 CB LYS A 58 -0.090 9.616 11.165 1.00 0.00 C ATOM 820 CG LYS A 58 -0.084 10.234 9.765 1.00 0.00 C ATOM 821 CD LYS A 58 0.107 11.751 9.835 1.00 0.00 C ATOM 822 CE LYS A 58 0.248 12.351 8.435 1.00 0.00 C ATOM 823 NZ LYS A 58 -0.302 13.725 8.403 1.00 0.00 N ATOM 0 H LYS A 58 -0.958 7.095 9.573 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.058 8.108 12.270 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.425 10.356 11.892 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.924 9.331 11.445 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.715 9.790 9.171 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.022 10.005 9.259 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.743 12.205 10.345 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.994 11.983 10.425 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.298 12.366 8.143 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.275 11.726 7.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.199 14.118 7.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.309 13.702 8.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.215 14.322 9.080 1.00 0.00 H new ATOM 837 N ASP A 59 -3.086 9.579 11.467 1.00 0.00 N ATOM 838 CA ASP A 59 -4.454 9.944 11.141 1.00 0.00 C ATOM 839 C ASP A 59 -4.458 10.822 9.887 1.00 0.00 C ATOM 840 O ASP A 59 -3.481 11.514 9.606 1.00 0.00 O ATOM 841 CB ASP A 59 -5.098 10.741 12.278 1.00 0.00 C ATOM 842 CG ASP A 59 -4.170 11.739 12.973 1.00 0.00 C ATOM 843 OD1 ASP A 59 -3.314 11.270 13.753 1.00 0.00 O ATOM 844 OD2 ASP A 59 -4.339 12.949 12.708 1.00 0.00 O ATOM 0 H ASP A 59 -2.691 10.074 12.267 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.019 9.026 10.980 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.957 11.282 11.881 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.478 10.041 13.023 1.00 0.00 H new ATOM 849 N GLY A 60 -5.569 10.765 9.167 1.00 0.00 N ATOM 850 CA GLY A 60 -5.714 11.546 7.951 1.00 0.00 C ATOM 851 C GLY A 60 -6.874 11.026 7.100 1.00 0.00 C ATOM 852 O GLY A 60 -7.390 9.937 7.346 1.00 0.00 O ATOM 0 H GLY A 60 -6.377 10.190 9.403 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.885 12.592 8.205 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.789 11.505 7.376 1.00 0.00 H new ATOM 856 N THR A 61 -7.250 11.829 6.115 1.00 0.00 N ATOM 857 CA THR A 61 -8.340 11.463 5.226 1.00 0.00 C ATOM 858 C THR A 61 -7.796 11.059 3.855 1.00 0.00 C ATOM 859 O THR A 61 -7.373 11.910 3.075 1.00 0.00 O ATOM 860 CB THR A 61 -9.318 12.638 5.170 1.00 0.00 C ATOM 861 OG1 THR A 61 -9.998 12.585 6.421 1.00 0.00 O ATOM 862 CG2 THR A 61 -10.425 12.429 4.134 1.00 0.00 C ATOM 0 H THR A 61 -6.819 12.731 5.913 1.00 0.00 H new ATOM 0 HA THR A 61 -8.878 10.591 5.597 1.00 0.00 H new ATOM 0 HB THR A 61 -8.773 13.553 4.939 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.651 13.314 6.470 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.092 13.291 4.135 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.981 12.314 3.145 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.992 11.532 4.383 1.00 0.00 H new ATOM 870 N VAL A 62 -7.825 9.758 3.603 1.00 0.00 N ATOM 871 CA VAL A 62 -7.341 9.230 2.339 1.00 0.00 C ATOM 872 C VAL A 62 -7.852 10.108 1.194 1.00 0.00 C ATOM 873 O VAL A 62 -9.056 10.320 1.061 1.00 0.00 O ATOM 874 CB VAL A 62 -7.748 7.762 2.194 1.00 0.00 C ATOM 875 CG1 VAL A 62 -7.258 7.186 0.864 1.00 0.00 C ATOM 876 CG2 VAL A 62 -7.235 6.933 3.373 1.00 0.00 C ATOM 0 H VAL A 62 -8.176 9.055 4.253 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.252 9.256 2.307 1.00 0.00 H new ATOM 0 HB VAL A 62 -8.837 7.714 2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.560 6.142 0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.693 7.752 0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.171 7.253 0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.538 5.894 3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.147 6.992 3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.654 7.322 4.301 1.00 0.00 H new ATOM 886 N LYS A 63 -6.912 10.594 0.398 1.00 0.00 N ATOM 887 CA LYS A 63 -7.252 11.443 -0.731 1.00 0.00 C ATOM 888 C LYS A 63 -7.609 10.568 -1.933 1.00 0.00 C ATOM 889 O LYS A 63 -8.661 10.746 -2.545 1.00 0.00 O ATOM 890 CB LYS A 63 -6.127 12.442 -1.008 1.00 0.00 C ATOM 891 CG LYS A 63 -6.510 13.400 -2.138 1.00 0.00 C ATOM 892 CD LYS A 63 -5.375 14.382 -2.433 1.00 0.00 C ATOM 893 CE LYS A 63 -5.557 15.036 -3.804 1.00 0.00 C ATOM 894 NZ LYS A 63 -5.047 14.149 -4.874 1.00 0.00 N ATOM 0 H LYS A 63 -5.914 10.416 0.512 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.132 12.045 -0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.909 13.010 -0.103 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.217 11.905 -1.274 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.746 12.831 -3.037 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.410 13.951 -1.863 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.345 15.151 -1.661 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.419 13.859 -2.400 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.612 15.251 -3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.029 15.989 -3.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.178 14.608 -5.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.035 13.965 -4.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.569 13.250 -4.857 1.00 0.00 H new ATOM 908 N LYS A 64 -6.712 9.641 -2.237 1.00 0.00 N ATOM 909 CA LYS A 64 -6.918 8.737 -3.355 1.00 0.00 C ATOM 910 C LYS A 64 -5.989 7.530 -3.209 1.00 0.00 C ATOM 911 O LYS A 64 -4.842 7.672 -2.788 1.00 0.00 O ATOM 912 CB LYS A 64 -6.755 9.481 -4.682 1.00 0.00 C ATOM 913 CG LYS A 64 -6.744 8.505 -5.860 1.00 0.00 C ATOM 914 CD LYS A 64 -5.388 8.518 -6.570 1.00 0.00 C ATOM 915 CE LYS A 64 -5.316 7.420 -7.633 1.00 0.00 C ATOM 916 NZ LYS A 64 -5.019 8.003 -8.961 1.00 0.00 N ATOM 0 H LYS A 64 -5.840 9.497 -1.728 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.939 8.355 -3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.569 10.196 -4.805 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.827 10.053 -4.671 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.963 7.498 -5.505 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.531 8.772 -6.566 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.226 9.491 -7.035 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.590 8.376 -5.841 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.545 6.697 -7.366 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.261 6.879 -7.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.974 7.244 -9.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.769 8.676 -9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.106 8.499 -8.926 1.00 0.00 H new ATOM 930 N VAL A 65 -6.520 6.369 -3.564 1.00 0.00 N ATOM 931 CA VAL A 65 -5.753 5.138 -3.477 1.00 0.00 C ATOM 932 C VAL A 65 -5.039 4.892 -4.808 1.00 0.00 C ATOM 933 O VAL A 65 -5.460 5.402 -5.846 1.00 0.00 O ATOM 934 CB VAL A 65 -6.665 3.981 -3.065 1.00 0.00 C ATOM 935 CG1 VAL A 65 -5.851 2.717 -2.778 1.00 0.00 C ATOM 936 CG2 VAL A 65 -7.525 4.364 -1.859 1.00 0.00 C ATOM 0 H VAL A 65 -7.472 6.255 -3.912 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.986 5.220 -2.707 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.333 3.767 -3.899 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.523 1.910 -2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.301 2.427 -3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.148 2.913 -1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.164 3.524 -1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.880 4.617 -1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.145 5.224 -2.112 1.00 0.00 H new ATOM 946 N PHE A 66 -3.973 4.109 -4.736 1.00 0.00 N ATOM 947 CA PHE A 66 -3.197 3.789 -5.922 1.00 0.00 C ATOM 948 C PHE A 66 -3.275 2.295 -6.241 1.00 0.00 C ATOM 949 O PHE A 66 -3.170 1.897 -7.400 1.00 0.00 O ATOM 950 CB PHE A 66 -1.744 4.159 -5.620 1.00 0.00 C ATOM 951 CG PHE A 66 -1.494 5.665 -5.514 1.00 0.00 C ATOM 952 CD1 PHE A 66 -1.720 6.469 -6.587 1.00 0.00 C ATOM 953 CD2 PHE A 66 -1.047 6.200 -4.346 1.00 0.00 C ATOM 954 CE1 PHE A 66 -1.489 7.867 -6.488 1.00 0.00 C ATOM 955 CE2 PHE A 66 -0.816 7.597 -4.247 1.00 0.00 C ATOM 956 CZ PHE A 66 -1.041 8.401 -5.320 1.00 0.00 C ATOM 0 H PHE A 66 -3.628 3.686 -3.874 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.586 4.337 -6.780 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.446 3.685 -4.685 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.105 3.749 -6.403 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.075 6.045 -7.514 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.868 5.562 -3.494 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.669 8.506 -7.340 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.461 8.021 -3.319 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.864 9.464 -5.245 1.00 0.00 H new ATOM 966 N TYR A 67 -3.458 1.507 -5.191 1.00 0.00 N ATOM 967 CA TYR A 67 -3.550 0.065 -5.345 1.00 0.00 C ATOM 968 C TYR A 67 -4.894 -0.456 -4.831 1.00 0.00 C ATOM 969 O TYR A 67 -5.422 0.049 -3.841 1.00 0.00 O ATOM 970 CB TYR A 67 -2.427 -0.523 -4.488 1.00 0.00 C ATOM 971 CG TYR A 67 -1.027 -0.307 -5.065 1.00 0.00 C ATOM 972 CD1 TYR A 67 -0.352 0.871 -4.815 1.00 0.00 C ATOM 973 CD2 TYR A 67 -0.438 -1.290 -5.834 1.00 0.00 C ATOM 974 CE1 TYR A 67 0.966 1.074 -5.358 1.00 0.00 C ATOM 975 CE2 TYR A 67 0.881 -1.087 -6.377 1.00 0.00 C ATOM 976 CZ TYR A 67 1.517 0.086 -6.112 1.00 0.00 C ATOM 977 OH TYR A 67 2.762 0.278 -6.624 1.00 0.00 O ATOM 0 H TYR A 67 -3.545 1.840 -4.231 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.465 -0.215 -6.395 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.472 -0.079 -3.494 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.598 -1.593 -4.367 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.812 1.640 -4.212 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.966 -2.212 -6.029 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.505 1.991 -5.170 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.354 -1.848 -6.980 1.00 0.00 H new ATOM 0 HH TYR A 67 3.029 -0.511 -7.140 1.00 0.00 H new ATOM 987 N ARG A 68 -5.408 -1.460 -5.526 1.00 0.00 N ATOM 988 CA ARG A 68 -6.680 -2.054 -5.152 1.00 0.00 C ATOM 989 C ARG A 68 -6.508 -3.551 -4.885 1.00 0.00 C ATOM 990 O ARG A 68 -5.385 -4.045 -4.800 1.00 0.00 O ATOM 991 CB ARG A 68 -7.725 -1.857 -6.252 1.00 0.00 C ATOM 992 CG ARG A 68 -7.774 -0.396 -6.706 1.00 0.00 C ATOM 993 CD ARG A 68 -9.169 0.197 -6.495 1.00 0.00 C ATOM 994 NE ARG A 68 -9.924 0.179 -7.768 1.00 0.00 N ATOM 995 CZ ARG A 68 -11.212 0.529 -7.882 1.00 0.00 C ATOM 996 NH1 ARG A 68 -11.897 0.927 -6.802 1.00 0.00 N ATOM 997 NH2 ARG A 68 -11.816 0.482 -9.078 1.00 0.00 N ATOM 0 H ARG A 68 -4.967 -1.877 -6.346 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.025 -1.556 -4.246 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.489 -2.498 -7.102 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.706 -2.161 -5.886 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.039 0.186 -6.150 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.502 -0.329 -7.759 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.705 -0.374 -5.737 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.087 1.219 -6.126 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.433 -0.118 -8.611 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.438 0.964 -5.892 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.878 1.193 -6.890 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.295 0.180 -9.901 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.797 0.748 -9.165 1.00 0.00 H new ATOM 1011 N GLU A 69 -7.638 -4.231 -4.759 1.00 0.00 N ATOM 1012 CA GLU A 69 -7.627 -5.661 -4.504 1.00 0.00 C ATOM 1013 C GLU A 69 -6.969 -6.404 -5.669 1.00 0.00 C ATOM 1014 O GLU A 69 -7.164 -6.043 -6.828 1.00 0.00 O ATOM 1015 CB GLU A 69 -9.042 -6.184 -4.249 1.00 0.00 C ATOM 1016 CG GLU A 69 -9.588 -5.664 -2.918 1.00 0.00 C ATOM 1017 CD GLU A 69 -11.040 -5.204 -3.064 1.00 0.00 C ATOM 1018 OE1 GLU A 69 -11.230 -4.065 -3.543 1.00 0.00 O ATOM 1019 OE2 GLU A 69 -11.928 -6.002 -2.693 1.00 0.00 O ATOM 0 H GLU A 69 -8.568 -3.818 -4.829 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.040 -5.845 -3.604 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.700 -5.875 -5.061 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.035 -7.274 -4.242 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.525 -6.448 -2.164 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.973 -4.835 -2.568 1.00 0.00 H new ATOM 1026 N GLY A 70 -6.204 -7.427 -5.319 1.00 0.00 N ATOM 1027 CA GLY A 70 -5.516 -8.223 -6.322 1.00 0.00 C ATOM 1028 C GLY A 70 -4.586 -7.354 -7.170 1.00 0.00 C ATOM 1029 O GLY A 70 -4.596 -7.440 -8.397 1.00 0.00 O ATOM 0 H GLY A 70 -6.045 -7.723 -4.356 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.940 -9.010 -5.834 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.246 -8.714 -6.965 1.00 0.00 H new ATOM 1033 N ALA A 71 -3.804 -6.535 -6.482 1.00 0.00 N ATOM 1034 CA ALA A 71 -2.869 -5.650 -7.156 1.00 0.00 C ATOM 1035 C ALA A 71 -1.440 -6.028 -6.762 1.00 0.00 C ATOM 1036 O ALA A 71 -1.210 -6.546 -5.670 1.00 0.00 O ATOM 1037 CB ALA A 71 -3.203 -4.197 -6.813 1.00 0.00 C ATOM 0 H ALA A 71 -3.799 -6.466 -5.464 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.952 -5.757 -8.238 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.502 -3.533 -7.319 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.218 -3.970 -7.140 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.128 -4.051 -5.735 1.00 0.00 H new ATOM 1043 N GLN A 72 -0.517 -5.755 -7.673 1.00 0.00 N ATOM 1044 CA GLN A 72 0.883 -6.061 -7.434 1.00 0.00 C ATOM 1045 C GLN A 72 1.628 -4.807 -6.969 1.00 0.00 C ATOM 1046 O GLN A 72 1.824 -3.874 -7.746 1.00 0.00 O ATOM 1047 CB GLN A 72 1.536 -6.655 -8.684 1.00 0.00 C ATOM 1048 CG GLN A 72 3.061 -6.593 -8.588 1.00 0.00 C ATOM 1049 CD GLN A 72 3.692 -7.918 -9.021 1.00 0.00 C ATOM 1050 OE1 GLN A 72 3.263 -8.994 -8.638 1.00 0.00 O ATOM 1051 NE2 GLN A 72 4.731 -7.780 -9.840 1.00 0.00 N ATOM 0 H GLN A 72 -0.712 -5.325 -8.577 1.00 0.00 H new ATOM 0 HA GLN A 72 0.942 -6.809 -6.644 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.218 -7.690 -8.808 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.201 -6.111 -9.567 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.436 -5.785 -9.216 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.355 -6.363 -7.564 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.038 -6.849 -10.121 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.220 -8.605 -10.187 1.00 0.00 H new ATOM 1060 N ALA A 73 2.023 -4.827 -5.705 1.00 0.00 N ATOM 1061 CA ALA A 73 2.742 -3.704 -5.128 1.00 0.00 C ATOM 1062 C ALA A 73 4.228 -4.054 -5.025 1.00 0.00 C ATOM 1063 O ALA A 73 4.603 -5.221 -5.124 1.00 0.00 O ATOM 1064 CB ALA A 73 2.131 -3.350 -3.770 1.00 0.00 C ATOM 0 H ALA A 73 1.859 -5.603 -5.064 1.00 0.00 H new ATOM 0 HA ALA A 73 2.654 -2.824 -5.765 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.670 -2.508 -3.337 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.083 -3.081 -3.902 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.204 -4.209 -3.103 1.00 0.00 H new ATOM 1070 N ASN A 74 5.034 -3.021 -4.828 1.00 0.00 N ATOM 1071 CA ASN A 74 6.471 -3.204 -4.711 1.00 0.00 C ATOM 1072 C ASN A 74 6.922 -2.781 -3.312 1.00 0.00 C ATOM 1073 O ASN A 74 6.158 -2.167 -2.569 1.00 0.00 O ATOM 1074 CB ASN A 74 7.221 -2.344 -5.730 1.00 0.00 C ATOM 1075 CG ASN A 74 8.238 -3.179 -6.509 1.00 0.00 C ATOM 1076 OD1 ASN A 74 9.081 -3.860 -5.948 1.00 0.00 O ATOM 1077 ND2 ASN A 74 8.114 -3.090 -7.830 1.00 0.00 N ATOM 0 H ASN A 74 4.719 -2.054 -4.746 1.00 0.00 H new ATOM 0 HA ASN A 74 6.693 -4.255 -4.894 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.511 -1.891 -6.422 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.731 -1.528 -5.218 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.747 -3.610 -8.438 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.386 -2.501 -8.235 1.00 0.00 H new ATOM 1084 N ARG A 75 8.161 -3.127 -2.995 1.00 0.00 N ATOM 1085 CA ARG A 75 8.723 -2.791 -1.698 1.00 0.00 C ATOM 1086 C ARG A 75 8.887 -1.275 -1.567 1.00 0.00 C ATOM 1087 O ARG A 75 9.604 -0.655 -2.351 1.00 0.00 O ATOM 1088 CB ARG A 75 10.083 -3.464 -1.496 1.00 0.00 C ATOM 1089 CG ARG A 75 10.713 -3.038 -0.168 1.00 0.00 C ATOM 1090 CD ARG A 75 11.532 -4.178 0.441 1.00 0.00 C ATOM 1091 NE ARG A 75 11.228 -4.305 1.883 1.00 0.00 N ATOM 1092 CZ ARG A 75 11.521 -3.372 2.799 1.00 0.00 C ATOM 1093 NH1 ARG A 75 12.129 -2.237 2.427 1.00 0.00 N ATOM 1094 NH2 ARG A 75 11.208 -3.573 4.086 1.00 0.00 N ATOM 0 H ARG A 75 8.791 -3.637 -3.614 1.00 0.00 H new ATOM 0 HA ARG A 75 8.034 -3.153 -0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 75 9.963 -4.547 -1.515 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.748 -3.202 -2.319 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.353 -2.170 -0.327 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.931 -2.734 0.529 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.305 -5.113 -0.071 1.00 0.00 H new ATOM 0 HD3 ARG A 75 12.596 -3.988 0.301 1.00 0.00 H new ATOM 0 HE ARG A 75 10.766 -5.157 2.200 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.368 -2.084 1.447 1.00 0.00 H new ATOM 0 HH12 ARG A 75 12.352 -1.526 3.124 1.00 0.00 H new ATOM 0 HH21 ARG A 75 10.746 -4.437 4.370 1.00 0.00 H new ATOM 0 HH22 ARG A 75 11.432 -2.862 4.782 1.00 0.00 H new ATOM 1108 N HIS A 76 8.211 -0.723 -0.571 1.00 0.00 N ATOM 1109 CA HIS A 76 8.273 0.708 -0.328 1.00 0.00 C ATOM 1110 C HIS A 76 7.576 1.453 -1.468 1.00 0.00 C ATOM 1111 O HIS A 76 8.211 2.217 -2.195 1.00 0.00 O ATOM 1112 CB HIS A 76 9.719 1.162 -0.119 1.00 0.00 C ATOM 1113 CG HIS A 76 10.122 1.283 1.331 1.00 0.00 C ATOM 1114 ND1 HIS A 76 11.414 1.055 1.772 1.00 0.00 N ATOM 1115 CD2 HIS A 76 9.391 1.613 2.434 1.00 0.00 C ATOM 1116 CE1 HIS A 76 11.447 1.240 3.083 1.00 0.00 C ATOM 1117 NE2 HIS A 76 10.192 1.585 3.492 1.00 0.00 N ATOM 0 H HIS A 76 7.618 -1.241 0.077 1.00 0.00 H new ATOM 0 HA HIS A 76 7.742 0.947 0.594 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.386 0.455 -0.613 1.00 0.00 H new ATOM 0 HB3 HIS A 76 9.860 2.127 -0.606 1.00 0.00 H new ATOM 0 HD2 HIS A 76 8.339 1.856 2.445 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.315 1.136 3.717 1.00 0.00 H new ATOM 0 HE2 HIS A 76 9.915 1.788 4.452 1.00 0.00 H new ATOM 1125 N THR A 77 6.280 1.206 -1.589 1.00 0.00 N ATOM 1126 CA THR A 77 5.491 1.843 -2.629 1.00 0.00 C ATOM 1127 C THR A 77 4.296 2.577 -2.017 1.00 0.00 C ATOM 1128 O THR A 77 3.834 2.223 -0.933 1.00 0.00 O ATOM 1129 CB THR A 77 5.090 0.771 -3.643 1.00 0.00 C ATOM 1130 OG1 THR A 77 4.653 -0.322 -2.839 1.00 0.00 O ATOM 1131 CG2 THR A 77 6.290 0.212 -4.410 1.00 0.00 C ATOM 0 H THR A 77 5.757 0.573 -0.984 1.00 0.00 H new ATOM 0 HA THR A 77 6.069 2.605 -3.152 1.00 0.00 H new ATOM 0 HB THR A 77 4.371 1.190 -4.348 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.354 -1.007 -2.809 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.950 -0.545 -5.116 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.783 1.019 -4.952 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.993 -0.236 -3.708 1.00 0.00 H new ATOM 1139 N PRO A 78 3.817 3.614 -2.756 1.00 0.00 N ATOM 1140 CA PRO A 78 2.685 4.401 -2.298 1.00 0.00 C ATOM 1141 C PRO A 78 1.376 3.628 -2.468 1.00 0.00 C ATOM 1142 O PRO A 78 0.921 3.410 -3.590 1.00 0.00 O ATOM 1143 CB PRO A 78 2.734 5.677 -3.121 1.00 0.00 C ATOM 1144 CG PRO A 78 3.606 5.363 -4.326 1.00 0.00 C ATOM 1145 CD PRO A 78 4.339 4.062 -4.044 1.00 0.00 C ATOM 0 HA PRO A 78 2.734 4.629 -1.233 1.00 0.00 H new ATOM 0 HB2 PRO A 78 1.734 5.980 -3.431 1.00 0.00 H new ATOM 0 HB3 PRO A 78 3.151 6.500 -2.541 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.996 5.271 -5.225 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.316 6.170 -4.504 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.152 3.325 -4.825 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.417 4.216 -4.002 1.00 0.00 H new ATOM 1153 N LEU A 79 0.806 3.236 -1.338 1.00 0.00 N ATOM 1154 CA LEU A 79 -0.443 2.493 -1.349 1.00 0.00 C ATOM 1155 C LEU A 79 -1.615 3.475 -1.396 1.00 0.00 C ATOM 1156 O LEU A 79 -2.396 3.470 -2.346 1.00 0.00 O ATOM 1157 CB LEU A 79 -0.500 1.524 -0.166 1.00 0.00 C ATOM 1158 CG LEU A 79 0.679 0.557 -0.034 1.00 0.00 C ATOM 1159 CD1 LEU A 79 0.577 -0.258 1.256 1.00 0.00 C ATOM 1160 CD2 LEU A 79 0.795 -0.338 -1.270 1.00 0.00 C ATOM 0 H LEU A 79 1.186 3.419 -0.409 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.510 1.873 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.571 2.107 0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.417 0.940 -0.244 1.00 0.00 H new ATOM 0 HG LEU A 79 1.596 1.143 0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.427 -0.937 1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.580 0.415 2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.348 -0.834 1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.640 -1.016 -1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.121 -0.918 -1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.948 0.281 -2.154 1.00 0.00 H new ATOM 1172 N VAL A 80 -1.702 4.294 -0.358 1.00 0.00 N ATOM 1173 CA VAL A 80 -2.766 5.280 -0.269 1.00 0.00 C ATOM 1174 C VAL A 80 -2.154 6.670 -0.091 1.00 0.00 C ATOM 1175 O VAL A 80 -1.019 6.799 0.365 1.00 0.00 O ATOM 1176 CB VAL A 80 -3.734 4.904 0.854 1.00 0.00 C ATOM 1177 CG1 VAL A 80 -4.604 3.711 0.453 1.00 0.00 C ATOM 1178 CG2 VAL A 80 -2.981 4.621 2.156 1.00 0.00 C ATOM 0 H VAL A 80 -1.053 4.295 0.429 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.349 5.298 -1.190 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.393 5.755 1.026 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.283 3.465 1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.182 3.965 -0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.968 2.852 0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.693 4.356 2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.287 3.795 2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.426 5.510 2.456 1.00 0.00 H new ATOM 1188 N GLU A 81 -2.933 7.676 -0.460 1.00 0.00 N ATOM 1189 CA GLU A 81 -2.481 9.053 -0.346 1.00 0.00 C ATOM 1190 C GLU A 81 -3.360 9.820 0.645 1.00 0.00 C ATOM 1191 O GLU A 81 -4.584 9.714 0.605 1.00 0.00 O ATOM 1192 CB GLU A 81 -2.468 9.740 -1.713 1.00 0.00 C ATOM 1193 CG GLU A 81 -1.856 11.139 -1.618 1.00 0.00 C ATOM 1194 CD GLU A 81 -0.331 11.078 -1.722 1.00 0.00 C ATOM 1195 OE1 GLU A 81 0.160 11.089 -2.871 1.00 0.00 O ATOM 1196 OE2 GLU A 81 0.310 11.023 -0.650 1.00 0.00 O ATOM 0 H GLU A 81 -3.874 7.566 -0.838 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.459 9.050 0.032 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.899 9.138 -2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.485 9.810 -2.099 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.254 11.769 -2.414 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.142 11.601 -0.673 1.00 0.00 H new ATOM 1203 N PHE A 82 -2.699 10.575 1.510 1.00 0.00 N ATOM 1204 CA PHE A 82 -3.405 11.359 2.510 1.00 0.00 C ATOM 1205 C PHE A 82 -3.764 12.744 1.967 1.00 0.00 C ATOM 1206 O PHE A 82 -3.107 13.247 1.056 1.00 0.00 O ATOM 1207 CB PHE A 82 -2.458 11.521 3.701 1.00 0.00 C ATOM 1208 CG PHE A 82 -2.451 10.326 4.657 1.00 0.00 C ATOM 1209 CD1 PHE A 82 -3.624 9.829 5.132 1.00 0.00 C ATOM 1210 CD2 PHE A 82 -1.271 9.762 5.030 1.00 0.00 C ATOM 1211 CE1 PHE A 82 -3.617 8.720 6.019 1.00 0.00 C ATOM 1212 CE2 PHE A 82 -1.264 8.653 5.918 1.00 0.00 C ATOM 1213 CZ PHE A 82 -2.437 8.156 6.393 1.00 0.00 C ATOM 0 H PHE A 82 -1.683 10.661 1.539 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.331 10.857 2.791 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.446 11.681 3.329 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.739 12.416 4.256 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.561 10.277 4.835 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.340 10.157 4.651 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.548 8.324 6.397 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.327 8.205 6.216 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.432 7.313 7.068 1.00 0.00 H new ATOM 1223 N GLU A 83 -4.805 13.321 2.549 1.00 0.00 N ATOM 1224 CA GLU A 83 -5.259 14.637 2.135 1.00 0.00 C ATOM 1225 C GLU A 83 -4.279 15.711 2.611 1.00 0.00 C ATOM 1226 O GLU A 83 -3.396 15.435 3.421 1.00 0.00 O ATOM 1227 CB GLU A 83 -6.672 14.917 2.651 1.00 0.00 C ATOM 1228 CG GLU A 83 -7.727 14.394 1.674 1.00 0.00 C ATOM 1229 CD GLU A 83 -7.975 15.398 0.547 1.00 0.00 C ATOM 1230 OE1 GLU A 83 -6.983 16.022 0.113 1.00 0.00 O ATOM 1231 OE2 GLU A 83 -9.152 15.520 0.144 1.00 0.00 O ATOM 0 H GLU A 83 -5.347 12.901 3.304 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.294 14.662 1.046 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.807 14.446 3.624 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.804 15.989 2.795 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.399 13.443 1.253 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.658 14.202 2.207 1.00 0.00 H new ATOM 1238 N GLU A 84 -4.467 16.913 2.086 1.00 0.00 N ATOM 1239 CA GLU A 84 -3.610 18.029 2.447 1.00 0.00 C ATOM 1240 C GLU A 84 -4.327 18.952 3.435 1.00 0.00 C ATOM 1241 O GLU A 84 -4.879 19.978 3.043 1.00 0.00 O ATOM 1242 CB GLU A 84 -3.161 18.800 1.204 1.00 0.00 C ATOM 1243 CG GLU A 84 -1.635 18.902 1.143 1.00 0.00 C ATOM 1244 CD GLU A 84 -1.189 19.723 -0.068 1.00 0.00 C ATOM 1245 OE1 GLU A 84 -1.616 20.895 -0.148 1.00 0.00 O ATOM 1246 OE2 GLU A 84 -0.430 19.161 -0.886 1.00 0.00 O ATOM 0 H GLU A 84 -5.200 17.138 1.414 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.717 17.634 2.932 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.532 18.301 0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.596 19.800 1.215 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.261 19.363 2.057 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.202 17.903 1.089 1.00 0.00 H new ATOM 1253 N GLU A 85 -4.296 18.552 4.698 1.00 0.00 N ATOM 1254 CA GLU A 85 -4.936 19.330 5.745 1.00 0.00 C ATOM 1255 C GLU A 85 -3.890 19.867 6.723 1.00 0.00 C ATOM 1256 O GLU A 85 -2.775 19.351 6.790 1.00 0.00 O ATOM 1257 CB GLU A 85 -5.994 18.500 6.476 1.00 0.00 C ATOM 1258 CG GLU A 85 -7.382 18.726 5.873 1.00 0.00 C ATOM 1259 CD GLU A 85 -8.233 17.458 5.964 1.00 0.00 C ATOM 1260 OE1 GLU A 85 -7.806 16.444 5.371 1.00 0.00 O ATOM 1261 OE2 GLU A 85 -9.291 17.532 6.625 1.00 0.00 O ATOM 0 H GLU A 85 -3.838 17.699 5.020 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.441 20.178 5.282 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.736 17.443 6.417 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.005 18.767 7.533 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.881 19.541 6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.284 19.029 4.830 1.00 0.00 H new ATOM 1268 N GLU A 86 -4.285 20.897 7.457 1.00 0.00 N ATOM 1269 CA GLU A 86 -3.395 21.510 8.427 1.00 0.00 C ATOM 1270 C GLU A 86 -4.200 22.101 9.587 1.00 0.00 C ATOM 1271 O GLU A 86 -5.343 22.517 9.405 1.00 0.00 O ATOM 1272 CB GLU A 86 -2.517 22.577 7.770 1.00 0.00 C ATOM 1273 CG GLU A 86 -1.131 22.020 7.440 1.00 0.00 C ATOM 1274 CD GLU A 86 -0.459 22.839 6.336 1.00 0.00 C ATOM 1275 OE1 GLU A 86 -1.054 22.909 5.239 1.00 0.00 O ATOM 1276 OE2 GLU A 86 0.635 23.376 6.614 1.00 0.00 O ATOM 0 H GLU A 86 -5.210 21.322 7.399 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.735 20.738 8.823 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.995 22.936 6.858 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.419 23.434 8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.509 22.030 8.335 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.219 20.980 7.124 1.00 0.00 H new ATOM 1283 N SER A 87 -3.571 22.119 10.753 1.00 0.00 N ATOM 1284 CA SER A 87 -4.215 22.652 11.942 1.00 0.00 C ATOM 1285 C SER A 87 -3.182 22.843 13.055 1.00 0.00 C ATOM 1286 O SER A 87 -2.525 21.889 13.467 1.00 0.00 O ATOM 1287 CB SER A 87 -5.343 21.734 12.416 1.00 0.00 C ATOM 1288 OG SER A 87 -6.419 22.466 12.996 1.00 0.00 O ATOM 0 H SER A 87 -2.623 21.773 10.900 1.00 0.00 H new ATOM 0 HA SER A 87 -4.652 23.618 11.691 1.00 0.00 H new ATOM 0 HB2 SER A 87 -5.714 21.151 11.573 1.00 0.00 H new ATOM 0 HB3 SER A 87 -4.951 21.026 13.146 1.00 0.00 H new ATOM 0 HG SER A 87 -7.120 21.844 13.284 1.00 0.00 H new ATOM 1294 N ASP A 88 -3.072 24.083 13.510 1.00 0.00 N ATOM 1295 CA ASP A 88 -2.131 24.411 14.567 1.00 0.00 C ATOM 1296 C ASP A 88 -0.734 23.934 14.166 1.00 0.00 C ATOM 1297 O ASP A 88 -0.379 22.779 14.393 1.00 0.00 O ATOM 1298 CB ASP A 88 -2.510 23.716 15.877 1.00 0.00 C ATOM 1299 CG ASP A 88 -2.771 24.657 17.055 1.00 0.00 C ATOM 1300 OD1 ASP A 88 -2.052 25.676 17.138 1.00 0.00 O ATOM 1301 OD2 ASP A 88 -3.683 24.335 17.847 1.00 0.00 O ATOM 0 H ASP A 88 -3.619 24.872 13.166 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.150 25.491 14.713 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.403 23.115 15.707 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -1.710 23.028 16.151 1.00 0.00 H new ATOM 1306 N LYS A 89 0.022 24.849 13.576 1.00 0.00 N ATOM 1307 CA LYS A 89 1.373 24.536 13.141 1.00 0.00 C ATOM 1308 C LYS A 89 2.342 24.758 14.303 1.00 0.00 C ATOM 1309 O LYS A 89 2.643 25.897 14.657 1.00 0.00 O ATOM 1310 CB LYS A 89 1.728 25.332 11.883 1.00 0.00 C ATOM 1311 CG LYS A 89 2.952 24.735 11.185 1.00 0.00 C ATOM 1312 CD LYS A 89 2.585 23.454 10.434 1.00 0.00 C ATOM 1313 CE LYS A 89 3.714 22.425 10.521 1.00 0.00 C ATOM 1314 NZ LYS A 89 4.709 22.656 9.450 1.00 0.00 N ATOM 0 H LYS A 89 -0.275 25.807 13.389 1.00 0.00 H new ATOM 0 HA LYS A 89 1.449 23.486 12.858 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.880 25.335 11.199 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.927 26.370 12.149 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.368 25.462 10.488 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.726 24.520 11.922 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.671 23.032 10.852 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.380 23.687 9.389 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.198 22.489 11.495 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.304 21.419 10.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.468 21.949 9.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.246 22.572 8.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.112 23.609 9.551 1.00 0.00 H new ATOM 1328 N ARG A 90 2.805 23.651 14.866 1.00 0.00 N ATOM 1329 CA ARG A 90 3.734 23.710 15.981 1.00 0.00 C ATOM 1330 C ARG A 90 4.488 22.386 16.114 1.00 0.00 C ATOM 1331 O ARG A 90 3.924 21.319 15.877 1.00 0.00 O ATOM 1332 CB ARG A 90 3.003 24.007 17.292 1.00 0.00 C ATOM 1333 CG ARG A 90 1.925 22.957 17.569 1.00 0.00 C ATOM 1334 CD ARG A 90 1.639 22.847 19.068 1.00 0.00 C ATOM 1335 NE ARG A 90 0.183 22.946 19.314 1.00 0.00 N ATOM 1336 CZ ARG A 90 -0.389 22.778 20.514 1.00 0.00 C ATOM 1337 NH1 ARG A 90 0.368 22.500 21.584 1.00 0.00 N ATOM 1338 NH2 ARG A 90 -1.719 22.886 20.643 1.00 0.00 N ATOM 0 H ARG A 90 2.554 22.708 14.570 1.00 0.00 H new ATOM 0 HA ARG A 90 4.440 24.516 15.782 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.718 24.025 18.115 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.548 24.996 17.243 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.010 23.222 17.039 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.248 21.989 17.185 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.017 21.899 19.450 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.162 23.638 19.605 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.423 23.155 18.521 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.380 22.416 21.485 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.067 22.372 22.497 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.295 23.096 19.828 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.155 22.758 21.556 1.00 0.00 H new ATOM 1352 N GLU A 91 5.753 22.497 16.494 1.00 0.00 N ATOM 1353 CA GLU A 91 6.590 21.322 16.662 1.00 0.00 C ATOM 1354 C GLU A 91 7.926 21.708 17.299 1.00 0.00 C ATOM 1355 O GLU A 91 8.896 21.988 16.595 1.00 0.00 O ATOM 1356 CB GLU A 91 6.806 20.607 15.326 1.00 0.00 C ATOM 1357 CG GLU A 91 7.069 19.115 15.539 1.00 0.00 C ATOM 1358 CD GLU A 91 6.821 18.326 14.251 1.00 0.00 C ATOM 1359 OE1 GLU A 91 5.653 17.935 14.041 1.00 0.00 O ATOM 1360 OE2 GLU A 91 7.806 18.131 13.507 1.00 0.00 O ATOM 0 H GLU A 91 6.218 23.383 16.690 1.00 0.00 H new ATOM 0 HA GLU A 91 6.079 20.629 17.330 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.928 20.738 14.693 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.648 21.057 14.801 1.00 0.00 H new ATOM 0 HG2 GLU A 91 8.097 18.967 15.869 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.423 18.737 16.331 1.00 0.00 H new ATOM 1367 N SER A 92 7.935 21.712 18.624 1.00 0.00 N ATOM 1368 CA SER A 92 9.136 22.060 19.364 1.00 0.00 C ATOM 1369 C SER A 92 9.183 21.282 20.680 1.00 0.00 C ATOM 1370 O SER A 92 8.144 20.936 21.239 1.00 0.00 O ATOM 1371 CB SER A 92 9.200 23.565 19.634 1.00 0.00 C ATOM 1372 OG SER A 92 7.902 24.139 19.766 1.00 0.00 O ATOM 0 H SER A 92 7.129 21.480 19.204 1.00 0.00 H new ATOM 0 HA SER A 92 10.001 21.790 18.759 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.771 23.746 20.545 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.733 24.057 18.820 1.00 0.00 H new ATOM 0 HG SER A 92 7.985 25.100 19.939 1.00 0.00 H new ATOM 1378 N GLU A 93 10.401 21.029 21.137 1.00 0.00 N ATOM 1379 CA GLU A 93 10.598 20.297 22.377 1.00 0.00 C ATOM 1380 C GLU A 93 11.930 20.688 23.018 1.00 0.00 C ATOM 1381 O GLU A 93 12.886 21.021 22.319 1.00 0.00 O ATOM 1382 CB GLU A 93 10.525 18.787 22.141 1.00 0.00 C ATOM 1383 CG GLU A 93 10.048 18.057 23.398 1.00 0.00 C ATOM 1384 CD GLU A 93 8.520 18.048 23.479 1.00 0.00 C ATOM 1385 OE1 GLU A 93 7.908 17.418 22.589 1.00 0.00 O ATOM 1386 OE2 GLU A 93 7.999 18.670 24.429 1.00 0.00 O ATOM 0 H GLU A 93 11.261 21.318 20.671 1.00 0.00 H new ATOM 0 HA GLU A 93 9.795 20.563 23.064 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.846 18.577 21.315 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.507 18.413 21.850 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.422 17.033 23.392 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.460 18.542 24.283 1.00 0.00 H new ATOM 1393 N SER A 94 11.952 20.636 24.342 1.00 0.00 N ATOM 1394 CA SER A 94 13.151 20.981 25.086 1.00 0.00 C ATOM 1395 C SER A 94 13.110 20.338 26.474 1.00 0.00 C ATOM 1396 O SER A 94 12.042 19.964 26.956 1.00 0.00 O ATOM 1397 CB SER A 94 13.307 22.498 25.208 1.00 0.00 C ATOM 1398 OG SER A 94 12.595 23.019 26.327 1.00 0.00 O ATOM 0 H SER A 94 11.157 20.360 24.919 1.00 0.00 H new ATOM 0 HA SER A 94 14.013 20.597 24.541 1.00 0.00 H new ATOM 0 HB2 SER A 94 14.364 22.747 25.303 1.00 0.00 H new ATOM 0 HB3 SER A 94 12.947 22.974 24.296 1.00 0.00 H new ATOM 0 HG SER A 94 12.721 23.990 26.372 1.00 0.00 H new ATOM 1404 N GLY A 95 14.285 20.230 27.076 1.00 0.00 N ATOM 1405 CA GLY A 95 14.396 19.639 28.399 1.00 0.00 C ATOM 1406 C GLY A 95 15.761 19.941 29.021 1.00 0.00 C ATOM 1407 O GLY A 95 16.749 20.108 28.307 1.00 0.00 O ATOM 0 H GLY A 95 15.168 20.542 26.672 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.606 20.026 29.042 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.253 18.560 28.333 1.00 0.00 H new ATOM 1411 N PRO A 96 15.773 20.003 30.379 1.00 0.00 N ATOM 1412 CA PRO A 96 17.000 20.281 31.105 1.00 0.00 C ATOM 1413 C PRO A 96 17.919 19.058 31.119 1.00 0.00 C ATOM 1414 O PRO A 96 17.450 17.926 31.232 1.00 0.00 O ATOM 1415 CB PRO A 96 16.548 20.700 32.495 1.00 0.00 C ATOM 1416 CG PRO A 96 15.121 20.197 32.639 1.00 0.00 C ATOM 1417 CD PRO A 96 14.622 19.810 31.257 1.00 0.00 C ATOM 0 HA PRO A 96 17.595 21.067 30.640 1.00 0.00 H new ATOM 0 HB2 PRO A 96 17.193 20.270 33.261 1.00 0.00 H new ATOM 0 HB3 PRO A 96 16.594 21.783 32.611 1.00 0.00 H new ATOM 0 HG2 PRO A 96 15.084 19.340 33.312 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.486 20.970 33.072 1.00 0.00 H new ATOM 0 HD2 PRO A 96 14.277 18.776 31.236 1.00 0.00 H new ATOM 0 HD3 PRO A 96 13.782 20.433 30.951 1.00 0.00 H new ATOM 1425 N SER A 97 19.211 19.326 31.002 1.00 0.00 N ATOM 1426 CA SER A 97 20.199 18.262 31.000 1.00 0.00 C ATOM 1427 C SER A 97 21.021 18.307 32.290 1.00 0.00 C ATOM 1428 O SER A 97 21.021 17.351 33.064 1.00 0.00 O ATOM 1429 CB SER A 97 21.119 18.366 29.781 1.00 0.00 C ATOM 1430 OG SER A 97 22.282 17.555 29.919 1.00 0.00 O ATOM 0 H SER A 97 19.596 20.266 30.908 1.00 0.00 H new ATOM 0 HA SER A 97 19.673 17.309 30.945 1.00 0.00 H new ATOM 0 HB2 SER A 97 20.572 18.066 28.887 1.00 0.00 H new ATOM 0 HB3 SER A 97 21.416 19.405 29.639 1.00 0.00 H new ATOM 0 HG SER A 97 22.842 17.648 29.120 1.00 0.00 H new ATOM 1436 N SER A 98 21.701 19.428 32.481 1.00 0.00 N ATOM 1437 CA SER A 98 22.525 19.610 33.664 1.00 0.00 C ATOM 1438 C SER A 98 23.522 18.457 33.790 1.00 0.00 C ATOM 1439 O SER A 98 23.419 17.462 33.075 1.00 0.00 O ATOM 1440 CB SER A 98 21.664 19.708 34.925 1.00 0.00 C ATOM 1441 OG SER A 98 21.346 18.425 35.456 1.00 0.00 O ATOM 0 H SER A 98 21.698 20.219 31.837 1.00 0.00 H new ATOM 0 HA SER A 98 23.074 20.546 33.558 1.00 0.00 H new ATOM 0 HB2 SER A 98 22.191 20.292 35.679 1.00 0.00 H new ATOM 0 HB3 SER A 98 20.743 20.243 34.694 1.00 0.00 H new ATOM 0 HG SER A 98 20.913 17.883 34.764 1.00 0.00 H new ATOM 1447 N GLY A 99 24.465 18.629 34.705 1.00 0.00 N ATOM 1448 CA GLY A 99 25.479 17.615 34.935 1.00 0.00 C ATOM 1449 C GLY A 99 26.788 18.247 35.413 1.00 0.00 C ATOM 1450 O GLY A 99 26.820 19.424 35.767 1.00 0.00 O ATOM 0 H GLY A 99 24.548 19.456 35.296 1.00 0.00 H new ATOM 0 HA2 GLY A 99 25.123 16.902 35.678 1.00 0.00 H new ATOM 0 HA3 GLY A 99 25.655 17.057 34.016 1.00 0.00 H new TER 1454 GLY A 99