USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 835 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0789 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.095 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS :FLIP no HD1:sc= -4.02 F(o=-4.9,f=-4) USER MOD Single : A 21 LYS NZ :NH3+ 149:sc= -0.384 (180deg=-1.59!) USER MOD Single : A 22 ASN : amide:sc= 0.0153 X(o=0.015,f=-0.0014) USER MOD Single : A 23 MET CE :methyl -144:sc= -5.45! (180deg=-10.6!) USER MOD Single : A 25 HIS : no HD1:sc= -2.94! C(o=-2.9!,f=-5.6!) USER MOD Single : A 27 MET CE :methyl 143:sc= -2.67 (180deg=-4.36!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.107 F(o=-0.66,f=-0.11) USER MOD Single : A 47 CYS SG : rot 89:sc= -7.49! USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -169:sc= 0.0417 (180deg=-0.0152) USER MOD Single : A 62 HIS : no HD1:sc= -2.62 K(o=-2.6,f=-5.8!) USER MOD Single : A 68 SER OG : rot 180:sc= -0.433 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -87:sc= -2.61 USER MOD Single : A 82 GLN : amide:sc= -1.01 X(o=-1,f=-1.3) USER MOD Single : A 83 THR OG1 : rot 113:sc= 0.406 USER MOD Single : A 93 GLN : amide:sc= -2.22! C(o=-2.2!,f=-2.4!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN :FLIP amide:sc= -4.86! C(o=-11!,f=-4.9!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -151:sc= 0.993 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -2.74 K(o=-2.7,f=-4.9!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 33.617 8.249 -9.837 1.00 0.00 N ATOM 2 CA GLY A 1 32.482 8.008 -10.710 1.00 0.00 C ATOM 3 C GLY A 1 31.410 7.165 -10.048 1.00 0.00 C ATOM 4 O GLY A 1 31.001 7.442 -8.921 1.00 0.00 O ATOM 0 H1 GLY A 1 34.321 8.829 -10.336 1.00 0.00 H new ATOM 0 H2 GLY A 1 33.298 8.750 -8.983 1.00 0.00 H new ATOM 0 H3 GLY A 1 34.046 7.341 -9.566 1.00 0.00 H new ATOM 0 HA2 GLY A 1 32.053 8.962 -11.015 1.00 0.00 H new ATOM 0 HA3 GLY A 1 32.824 7.509 -11.616 1.00 0.00 H new ATOM 8 N SER A 2 30.952 6.134 -10.751 1.00 0.00 N ATOM 9 CA SER A 2 29.917 5.251 -10.227 1.00 0.00 C ATOM 10 C SER A 2 30.133 3.818 -10.704 1.00 0.00 C ATOM 11 O SER A 2 30.781 3.582 -11.723 1.00 0.00 O ATOM 12 CB SER A 2 28.533 5.741 -10.659 1.00 0.00 C ATOM 13 OG SER A 2 28.226 6.990 -10.066 1.00 0.00 O ATOM 0 H SER A 2 31.282 5.890 -11.685 1.00 0.00 H new ATOM 0 HA SER A 2 29.977 5.266 -9.139 1.00 0.00 H new ATOM 0 HB2 SER A 2 28.499 5.832 -11.745 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.779 5.006 -10.377 1.00 0.00 H new ATOM 0 HG SER A 2 27.338 7.282 -10.359 1.00 0.00 H new ATOM 19 N SER A 3 29.586 2.864 -9.958 1.00 0.00 N ATOM 20 CA SER A 3 29.721 1.453 -10.300 1.00 0.00 C ATOM 21 C SER A 3 28.409 0.899 -10.848 1.00 0.00 C ATOM 22 O SER A 3 28.379 0.280 -11.910 1.00 0.00 O ATOM 23 CB SER A 3 30.156 0.648 -9.074 1.00 0.00 C ATOM 24 OG SER A 3 29.232 0.802 -8.010 1.00 0.00 O ATOM 0 H SER A 3 29.045 3.043 -9.112 1.00 0.00 H new ATOM 0 HA SER A 3 30.484 1.363 -11.073 1.00 0.00 H new ATOM 0 HB2 SER A 3 30.239 -0.406 -9.338 1.00 0.00 H new ATOM 0 HB3 SER A 3 31.145 0.975 -8.752 1.00 0.00 H new ATOM 0 HG SER A 3 29.531 0.277 -7.239 1.00 0.00 H new ATOM 30 N GLY A 4 27.325 1.126 -10.112 1.00 0.00 N ATOM 31 CA GLY A 4 26.025 0.643 -10.539 1.00 0.00 C ATOM 32 C GLY A 4 25.303 1.633 -11.431 1.00 0.00 C ATOM 33 O GLY A 4 24.383 2.322 -10.989 1.00 0.00 O ATOM 0 H GLY A 4 27.324 1.635 -9.228 1.00 0.00 H new ATOM 0 HA2 GLY A 4 26.148 -0.299 -11.073 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.412 0.435 -9.662 1.00 0.00 H new ATOM 37 N SER A 5 25.720 1.707 -12.691 1.00 0.00 N ATOM 38 CA SER A 5 25.110 2.624 -13.646 1.00 0.00 C ATOM 39 C SER A 5 23.589 2.525 -13.599 1.00 0.00 C ATOM 40 O SER A 5 22.898 3.518 -13.371 1.00 0.00 O ATOM 41 CB SER A 5 25.609 2.326 -15.061 1.00 0.00 C ATOM 42 OG SER A 5 26.936 2.789 -15.243 1.00 0.00 O ATOM 0 H SER A 5 26.478 1.142 -13.074 1.00 0.00 H new ATOM 0 HA SER A 5 25.399 3.639 -13.373 1.00 0.00 H new ATOM 0 HB2 SER A 5 25.567 1.253 -15.246 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.952 2.801 -15.789 1.00 0.00 H new ATOM 0 HG SER A 5 27.232 2.585 -16.155 1.00 0.00 H new ATOM 48 N SER A 6 23.074 1.319 -13.818 1.00 0.00 N ATOM 49 CA SER A 6 21.634 1.089 -13.806 1.00 0.00 C ATOM 50 C SER A 6 21.098 1.078 -12.377 1.00 0.00 C ATOM 51 O SER A 6 20.183 1.827 -12.039 1.00 0.00 O ATOM 52 CB SER A 6 21.301 -0.234 -14.498 1.00 0.00 C ATOM 53 OG SER A 6 22.026 -1.307 -13.921 1.00 0.00 O ATOM 0 H SER A 6 23.633 0.486 -14.006 1.00 0.00 H new ATOM 0 HA SER A 6 21.156 1.904 -14.349 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.232 -0.430 -14.420 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.535 -0.162 -15.560 1.00 0.00 H new ATOM 0 HG SER A 6 21.795 -2.142 -14.379 1.00 0.00 H new ATOM 59 N GLY A 7 21.677 0.220 -11.542 1.00 0.00 N ATOM 60 CA GLY A 7 21.245 0.126 -10.159 1.00 0.00 C ATOM 61 C GLY A 7 21.616 1.353 -9.351 1.00 0.00 C ATOM 62 O GLY A 7 22.772 1.526 -8.965 1.00 0.00 O ATOM 0 H GLY A 7 22.436 -0.411 -11.798 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.164 -0.013 -10.128 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.693 -0.756 -9.701 1.00 0.00 H new ATOM 66 N GLY A 8 20.633 2.211 -9.095 1.00 0.00 N ATOM 67 CA GLY A 8 20.883 3.419 -8.331 1.00 0.00 C ATOM 68 C GLY A 8 22.106 4.171 -8.817 1.00 0.00 C ATOM 69 O GLY A 8 23.200 4.041 -8.268 1.00 0.00 O ATOM 0 H GLY A 8 19.668 2.091 -9.403 1.00 0.00 H new ATOM 0 HA2 GLY A 8 20.012 4.071 -8.393 1.00 0.00 H new ATOM 0 HA3 GLY A 8 21.014 3.160 -7.280 1.00 0.00 H new ATOM 73 N PRO A 9 21.928 4.978 -9.874 1.00 0.00 N ATOM 74 CA PRO A 9 23.015 5.768 -10.458 1.00 0.00 C ATOM 75 C PRO A 9 23.464 6.902 -9.544 1.00 0.00 C ATOM 76 O PRO A 9 24.658 7.174 -9.416 1.00 0.00 O ATOM 77 CB PRO A 9 22.397 6.328 -11.741 1.00 0.00 C ATOM 78 CG PRO A 9 20.931 6.356 -11.474 1.00 0.00 C ATOM 79 CD PRO A 9 20.651 5.181 -10.579 1.00 0.00 C ATOM 0 HA PRO A 9 23.909 5.168 -10.626 1.00 0.00 H new ATOM 0 HB2 PRO A 9 22.778 7.325 -11.962 1.00 0.00 H new ATOM 0 HB3 PRO A 9 22.631 5.700 -12.600 1.00 0.00 H new ATOM 0 HG2 PRO A 9 20.639 7.290 -10.994 1.00 0.00 H new ATOM 0 HG3 PRO A 9 20.364 6.284 -12.402 1.00 0.00 H new ATOM 0 HD2 PRO A 9 19.837 5.390 -9.885 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.363 4.299 -11.151 1.00 0.00 H new ATOM 87 N SER A 10 22.500 7.561 -8.909 1.00 0.00 N ATOM 88 CA SER A 10 22.796 8.669 -8.008 1.00 0.00 C ATOM 89 C SER A 10 21.600 8.974 -7.111 1.00 0.00 C ATOM 90 O SER A 10 20.489 9.196 -7.593 1.00 0.00 O ATOM 91 CB SER A 10 23.180 9.915 -8.807 1.00 0.00 C ATOM 92 OG SER A 10 23.704 10.923 -7.960 1.00 0.00 O ATOM 0 H SER A 10 21.507 7.347 -9.002 1.00 0.00 H new ATOM 0 HA SER A 10 23.636 8.378 -7.377 1.00 0.00 H new ATOM 0 HB2 SER A 10 23.919 9.652 -9.564 1.00 0.00 H new ATOM 0 HB3 SER A 10 22.305 10.297 -9.334 1.00 0.00 H new ATOM 0 HG SER A 10 23.943 11.708 -8.495 1.00 0.00 H new ATOM 98 N ARG A 11 21.837 8.985 -5.803 1.00 0.00 N ATOM 99 CA ARG A 11 20.780 9.262 -4.838 1.00 0.00 C ATOM 100 C ARG A 11 19.912 10.428 -5.302 1.00 0.00 C ATOM 101 O ARG A 11 20.386 11.334 -5.987 1.00 0.00 O ATOM 102 CB ARG A 11 21.382 9.575 -3.467 1.00 0.00 C ATOM 103 CG ARG A 11 22.084 10.921 -3.403 1.00 0.00 C ATOM 104 CD ARG A 11 23.530 10.817 -3.861 1.00 0.00 C ATOM 105 NE ARG A 11 24.295 9.873 -3.050 1.00 0.00 N ATOM 106 CZ ARG A 11 25.504 9.432 -3.379 1.00 0.00 C ATOM 107 NH1 ARG A 11 26.082 9.847 -4.498 1.00 0.00 N ATOM 108 NH2 ARG A 11 26.136 8.574 -2.589 1.00 0.00 N ATOM 0 H ARG A 11 22.751 8.805 -5.388 1.00 0.00 H new ATOM 0 HA ARG A 11 20.153 8.374 -4.758 1.00 0.00 H new ATOM 0 HB2 ARG A 11 20.590 9.552 -2.718 1.00 0.00 H new ATOM 0 HB3 ARG A 11 22.093 8.791 -3.204 1.00 0.00 H new ATOM 0 HG2 ARG A 11 21.554 11.639 -4.028 1.00 0.00 H new ATOM 0 HG3 ARG A 11 22.051 11.302 -2.382 1.00 0.00 H new ATOM 0 HD2 ARG A 11 23.558 10.504 -4.905 1.00 0.00 H new ATOM 0 HD3 ARG A 11 23.998 11.800 -3.811 1.00 0.00 H new ATOM 0 HE ARG A 11 23.878 9.534 -2.183 1.00 0.00 H new ATOM 0 HH11 ARG A 11 25.598 10.506 -5.108 1.00 0.00 H new ATOM 0 HH12 ARG A 11 27.010 9.507 -4.749 1.00 0.00 H new ATOM 0 HH21 ARG A 11 25.694 8.252 -1.728 1.00 0.00 H new ATOM 0 HH22 ARG A 11 27.064 8.236 -2.843 1.00 0.00 H new ATOM 122 N MET A 12 18.638 10.396 -4.925 1.00 0.00 N ATOM 123 CA MET A 12 17.703 11.451 -5.303 1.00 0.00 C ATOM 124 C MET A 12 17.543 12.465 -4.174 1.00 0.00 C ATOM 125 O MET A 12 17.132 12.116 -3.068 1.00 0.00 O ATOM 126 CB MET A 12 16.343 10.851 -5.662 1.00 0.00 C ATOM 127 CG MET A 12 16.424 9.725 -6.680 1.00 0.00 C ATOM 128 SD MET A 12 16.960 10.294 -8.304 1.00 0.00 S ATOM 129 CE MET A 12 16.391 8.948 -9.339 1.00 0.00 C ATOM 0 H MET A 12 18.229 9.652 -4.359 1.00 0.00 H new ATOM 0 HA MET A 12 18.107 11.965 -6.175 1.00 0.00 H new ATOM 0 HB2 MET A 12 15.870 10.476 -4.755 1.00 0.00 H new ATOM 0 HB3 MET A 12 15.700 11.639 -6.054 1.00 0.00 H new ATOM 0 HG2 MET A 12 17.116 8.964 -6.320 1.00 0.00 H new ATOM 0 HG3 MET A 12 15.447 9.251 -6.770 1.00 0.00 H new ATOM 0 HE1 MET A 12 16.649 9.153 -10.378 1.00 0.00 H new ATOM 0 HE2 MET A 12 16.867 8.020 -9.023 1.00 0.00 H new ATOM 0 HE3 MET A 12 15.309 8.850 -9.247 1.00 0.00 H new ATOM 139 N ARG A 13 17.871 13.720 -4.462 1.00 0.00 N ATOM 140 CA ARG A 13 17.765 14.784 -3.470 1.00 0.00 C ATOM 141 C ARG A 13 16.499 15.607 -3.690 1.00 0.00 C ATOM 142 O ARG A 13 16.564 16.814 -3.924 1.00 0.00 O ATOM 143 CB ARG A 13 18.994 15.692 -3.532 1.00 0.00 C ATOM 144 CG ARG A 13 19.290 16.407 -2.224 1.00 0.00 C ATOM 145 CD ARG A 13 20.149 15.553 -1.304 1.00 0.00 C ATOM 146 NE ARG A 13 20.372 16.195 -0.011 1.00 0.00 N ATOM 147 CZ ARG A 13 21.081 15.646 0.969 1.00 0.00 C ATOM 148 NH1 ARG A 13 21.634 14.452 0.803 1.00 0.00 N ATOM 149 NH2 ARG A 13 21.239 16.292 2.117 1.00 0.00 N ATOM 0 H ARG A 13 18.212 14.025 -5.373 1.00 0.00 H new ATOM 0 HA ARG A 13 17.712 14.324 -2.483 1.00 0.00 H new ATOM 0 HB2 ARG A 13 19.862 15.096 -3.815 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.848 16.434 -4.317 1.00 0.00 H new ATOM 0 HG2 ARG A 13 19.800 17.348 -2.430 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.354 16.655 -1.723 1.00 0.00 H new ATOM 0 HD2 ARG A 13 19.667 14.587 -1.151 1.00 0.00 H new ATOM 0 HD3 ARG A 13 21.109 15.358 -1.782 1.00 0.00 H new ATOM 0 HE ARG A 13 19.961 17.115 0.148 1.00 0.00 H new ATOM 0 HH11 ARG A 13 21.515 13.953 -0.079 1.00 0.00 H new ATOM 0 HH12 ARG A 13 22.178 14.033 1.557 1.00 0.00 H new ATOM 0 HH21 ARG A 13 20.816 17.211 2.248 1.00 0.00 H new ATOM 0 HH22 ARG A 13 21.784 15.870 2.869 1.00 0.00 H new ATOM 163 N HIS A 14 15.348 14.946 -3.612 1.00 0.00 N ATOM 164 CA HIS A 14 14.067 15.616 -3.802 1.00 0.00 C ATOM 165 C HIS A 14 12.942 14.840 -3.125 1.00 0.00 C ATOM 166 O HIS A 14 13.179 13.814 -2.489 1.00 0.00 O ATOM 167 CB HIS A 14 13.767 15.776 -5.293 1.00 0.00 C ATOM 168 CG HIS A 14 13.759 14.481 -6.045 1.00 0.00 C ATOM 169 ND1 HIS A 14 13.042 13.349 -5.850 1.00 0.00 N flip ATOM 170 CD2 HIS A 14 14.559 14.242 -7.142 1.00 0.00 C flip ATOM 171 CE1 HIS A 14 13.418 12.457 -6.824 1.00 0.00 C flip ATOM 172 NE2 HIS A 14 14.334 13.020 -7.591 1.00 0.00 N flip ATOM 0 H HIS A 14 15.277 13.947 -3.419 1.00 0.00 H new ATOM 0 HA HIS A 14 14.130 16.603 -3.344 1.00 0.00 H new ATOM 0 HB2 HIS A 14 12.798 16.261 -5.410 1.00 0.00 H new ATOM 0 HB3 HIS A 14 14.510 16.439 -5.736 1.00 0.00 H new ATOM 0 HD2 HIS A 14 15.260 14.944 -7.568 1.00 0.00 H new ATOM 0 HE1 HIS A 14 13.028 11.457 -6.943 1.00 0.00 H new ATOM 0 HE2 HIS A 14 14.790 12.585 -8.393 1.00 0.00 H new ATOM 180 N GLU A 15 11.717 15.337 -3.267 1.00 0.00 N ATOM 181 CA GLU A 15 10.556 14.690 -2.668 1.00 0.00 C ATOM 182 C GLU A 15 9.906 13.720 -3.650 1.00 0.00 C ATOM 183 O GLU A 15 9.136 14.125 -4.521 1.00 0.00 O ATOM 184 CB GLU A 15 9.536 15.738 -2.218 1.00 0.00 C ATOM 185 CG GLU A 15 10.039 16.637 -1.101 1.00 0.00 C ATOM 186 CD GLU A 15 9.101 17.794 -0.817 1.00 0.00 C ATOM 187 OE1 GLU A 15 8.747 18.518 -1.771 1.00 0.00 O ATOM 188 OE2 GLU A 15 8.722 17.976 0.359 1.00 0.00 O ATOM 0 H GLU A 15 11.503 16.185 -3.792 1.00 0.00 H new ATOM 0 HA GLU A 15 10.895 14.126 -1.799 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.260 16.355 -3.073 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.630 15.231 -1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.167 16.046 -0.194 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.021 17.027 -1.368 1.00 0.00 H new ATOM 195 N ARG A 16 10.222 12.438 -3.504 1.00 0.00 N ATOM 196 CA ARG A 16 9.671 11.410 -4.379 1.00 0.00 C ATOM 197 C ARG A 16 8.899 10.368 -3.575 1.00 0.00 C ATOM 198 O ARG A 16 8.186 9.538 -4.138 1.00 0.00 O ATOM 199 CB ARG A 16 10.790 10.731 -5.172 1.00 0.00 C ATOM 200 CG ARG A 16 11.753 9.935 -4.307 1.00 0.00 C ATOM 201 CD ARG A 16 12.936 10.782 -3.866 1.00 0.00 C ATOM 202 NE ARG A 16 13.789 10.077 -2.912 1.00 0.00 N ATOM 203 CZ ARG A 16 13.559 10.045 -1.604 1.00 0.00 C ATOM 204 NH1 ARG A 16 12.508 10.675 -1.097 1.00 0.00 N ATOM 205 NH2 ARG A 16 14.380 9.382 -0.800 1.00 0.00 N ATOM 0 H ARG A 16 10.857 12.086 -2.788 1.00 0.00 H new ATOM 0 HA ARG A 16 8.983 11.891 -5.074 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.347 10.066 -5.913 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.349 11.491 -5.719 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.228 9.556 -3.430 1.00 0.00 H new ATOM 0 HG3 ARG A 16 12.112 9.068 -4.863 1.00 0.00 H new ATOM 0 HD2 ARG A 16 13.525 11.065 -4.739 1.00 0.00 H new ATOM 0 HD3 ARG A 16 12.573 11.705 -3.414 1.00 0.00 H new ATOM 0 HE ARG A 16 14.606 9.582 -3.270 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.874 11.186 -1.712 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.334 10.649 -0.092 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.189 8.896 -1.186 1.00 0.00 H new ATOM 0 HH22 ARG A 16 14.202 9.359 0.204 1.00 0.00 H new ATOM 219 N VAL A 17 9.048 10.418 -2.255 1.00 0.00 N ATOM 220 CA VAL A 17 8.364 9.479 -1.373 1.00 0.00 C ATOM 221 C VAL A 17 7.261 10.172 -0.582 1.00 0.00 C ATOM 222 O VAL A 17 7.455 11.265 -0.050 1.00 0.00 O ATOM 223 CB VAL A 17 9.347 8.816 -0.389 1.00 0.00 C ATOM 224 CG1 VAL A 17 8.612 7.857 0.535 1.00 0.00 C ATOM 225 CG2 VAL A 17 10.454 8.098 -1.145 1.00 0.00 C ATOM 0 H VAL A 17 9.636 11.098 -1.773 1.00 0.00 H new ATOM 0 HA VAL A 17 7.924 8.711 -2.009 1.00 0.00 H new ATOM 0 HB VAL A 17 9.802 9.595 0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.322 7.398 1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.859 8.404 1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.127 7.081 -0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.139 7.636 -0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.019 7.329 -1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.998 8.814 -1.760 1.00 0.00 H new ATOM 235 N VAL A 18 6.100 9.529 -0.508 1.00 0.00 N ATOM 236 CA VAL A 18 4.964 10.082 0.220 1.00 0.00 C ATOM 237 C VAL A 18 4.529 9.154 1.349 1.00 0.00 C ATOM 238 O VAL A 18 4.593 7.931 1.219 1.00 0.00 O ATOM 239 CB VAL A 18 3.766 10.331 -0.715 1.00 0.00 C ATOM 240 CG1 VAL A 18 4.237 10.887 -2.050 1.00 0.00 C ATOM 241 CG2 VAL A 18 2.970 9.050 -0.913 1.00 0.00 C ATOM 0 H VAL A 18 5.921 8.624 -0.944 1.00 0.00 H new ATOM 0 HA VAL A 18 5.291 11.033 0.641 1.00 0.00 H new ATOM 0 HB VAL A 18 3.113 11.070 -0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.377 11.057 -2.697 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.760 11.829 -1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.912 10.174 -2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.127 9.244 -1.576 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.612 8.288 -1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.600 8.699 0.050 1.00 0.00 H new ATOM 251 N ILE A 19 4.086 9.743 2.454 1.00 0.00 N ATOM 252 CA ILE A 19 3.639 8.968 3.605 1.00 0.00 C ATOM 253 C ILE A 19 2.125 9.045 3.764 1.00 0.00 C ATOM 254 O ILE A 19 1.502 10.044 3.404 1.00 0.00 O ATOM 255 CB ILE A 19 4.306 9.456 4.905 1.00 0.00 C ATOM 256 CG1 ILE A 19 5.810 9.640 4.695 1.00 0.00 C ATOM 257 CG2 ILE A 19 4.040 8.475 6.037 1.00 0.00 C ATOM 258 CD1 ILE A 19 6.466 8.482 3.976 1.00 0.00 C ATOM 0 H ILE A 19 4.027 10.754 2.577 1.00 0.00 H new ATOM 0 HA ILE A 19 3.931 7.934 3.422 1.00 0.00 H new ATOM 0 HB ILE A 19 3.876 10.420 5.177 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.980 10.554 4.126 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.290 9.774 5.664 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.518 8.833 6.949 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.966 8.390 6.200 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.446 7.498 5.775 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.532 8.681 3.862 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.327 7.569 4.555 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.012 8.360 2.992 1.00 0.00 H new ATOM 270 N ILE A 20 1.538 7.983 4.307 1.00 0.00 N ATOM 271 CA ILE A 20 0.097 7.932 4.517 1.00 0.00 C ATOM 272 C ILE A 20 -0.237 7.490 5.938 1.00 0.00 C ATOM 273 O ILE A 20 0.406 6.595 6.489 1.00 0.00 O ATOM 274 CB ILE A 20 -0.583 6.974 3.521 1.00 0.00 C ATOM 275 CG1 ILE A 20 0.059 7.102 2.138 1.00 0.00 C ATOM 276 CG2 ILE A 20 -2.076 7.259 3.447 1.00 0.00 C ATOM 277 CD1 ILE A 20 -0.431 8.300 1.353 1.00 0.00 C ATOM 0 H ILE A 20 2.038 7.147 4.609 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.281 8.941 4.355 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.446 5.951 3.871 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.141 7.171 2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.144 6.196 1.567 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.543 6.574 2.739 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.522 7.122 4.432 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.235 8.286 3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.066 8.328 0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.508 8.223 1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.204 9.213 1.903 1.00 0.00 H new ATOM 289 N LYS A 21 -1.247 8.121 6.526 1.00 0.00 N ATOM 290 CA LYS A 21 -1.670 7.792 7.882 1.00 0.00 C ATOM 291 C LYS A 21 -3.126 7.339 7.904 1.00 0.00 C ATOM 292 O LYS A 21 -3.937 7.789 7.095 1.00 0.00 O ATOM 293 CB LYS A 21 -1.487 9.000 8.803 1.00 0.00 C ATOM 294 CG LYS A 21 -0.046 9.467 8.915 1.00 0.00 C ATOM 295 CD LYS A 21 0.899 8.305 9.168 1.00 0.00 C ATOM 296 CE LYS A 21 2.099 8.732 10.000 1.00 0.00 C ATOM 297 NZ LYS A 21 1.688 9.460 11.233 1.00 0.00 N ATOM 0 H LYS A 21 -1.789 8.864 6.084 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.048 6.972 8.240 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.099 9.823 8.435 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.857 8.748 9.797 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.244 9.979 7.998 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.041 10.191 9.725 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.365 7.506 9.682 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.241 7.899 8.216 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.682 7.853 10.275 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.748 9.370 9.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.380 9.282 11.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.645 10.480 11.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.751 9.127 11.537 1.00 0.00 H new ATOM 311 N ASN A 22 -3.451 6.447 8.834 1.00 0.00 N ATOM 312 CA ASN A 22 -4.810 5.935 8.961 1.00 0.00 C ATOM 313 C ASN A 22 -5.252 5.241 7.676 1.00 0.00 C ATOM 314 O ASN A 22 -6.284 5.582 7.098 1.00 0.00 O ATOM 315 CB ASN A 22 -5.777 7.072 9.298 1.00 0.00 C ATOM 316 CG ASN A 22 -6.998 6.587 10.055 1.00 0.00 C ATOM 317 OD1 ASN A 22 -6.895 6.126 11.192 1.00 0.00 O ATOM 318 ND2 ASN A 22 -8.163 6.689 9.426 1.00 0.00 N ATOM 0 H ASN A 22 -2.791 6.064 9.511 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.822 5.205 9.770 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.258 7.822 9.894 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.094 7.561 8.377 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.019 6.379 9.885 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.202 7.078 8.484 1.00 0.00 H new ATOM 325 N MET A 23 -4.464 4.266 7.235 1.00 0.00 N ATOM 326 CA MET A 23 -4.775 3.523 6.020 1.00 0.00 C ATOM 327 C MET A 23 -4.915 2.033 6.314 1.00 0.00 C ATOM 328 O MET A 23 -5.495 1.286 5.525 1.00 0.00 O ATOM 329 CB MET A 23 -3.688 3.747 4.967 1.00 0.00 C ATOM 330 CG MET A 23 -2.284 3.453 5.472 1.00 0.00 C ATOM 331 SD MET A 23 -1.156 2.975 4.148 1.00 0.00 S ATOM 332 CE MET A 23 -2.115 1.703 3.329 1.00 0.00 C ATOM 0 H MET A 23 -3.606 3.972 7.701 1.00 0.00 H new ATOM 0 HA MET A 23 -5.726 3.890 5.634 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.894 3.115 4.103 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.733 4.781 4.624 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.892 4.335 5.978 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.328 2.654 6.213 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.449 0.916 2.975 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.834 1.281 4.031 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.647 2.137 2.482 1.00 0.00 H new ATOM 342 N PHE A 24 -4.381 1.607 7.453 1.00 0.00 N ATOM 343 CA PHE A 24 -4.445 0.205 7.851 1.00 0.00 C ATOM 344 C PHE A 24 -4.196 0.052 9.349 1.00 0.00 C ATOM 345 O PHE A 24 -3.970 1.035 10.055 1.00 0.00 O ATOM 346 CB PHE A 24 -3.421 -0.617 7.066 1.00 0.00 C ATOM 347 CG PHE A 24 -1.997 -0.233 7.353 1.00 0.00 C ATOM 348 CD1 PHE A 24 -1.377 -0.645 8.521 1.00 0.00 C ATOM 349 CD2 PHE A 24 -1.279 0.538 6.453 1.00 0.00 C ATOM 350 CE1 PHE A 24 -0.068 -0.292 8.788 1.00 0.00 C ATOM 351 CE2 PHE A 24 0.031 0.893 6.714 1.00 0.00 C ATOM 352 CZ PHE A 24 0.638 0.477 7.883 1.00 0.00 C ATOM 0 H PHE A 24 -3.899 2.212 8.117 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.446 -0.164 7.628 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.558 -1.673 7.300 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.613 -0.499 6.000 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.923 -1.249 9.231 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.748 0.865 5.537 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.403 -0.617 9.704 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.579 1.495 6.005 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.662 0.752 8.089 1.00 0.00 H new ATOM 362 N HIS A 25 -4.240 -1.187 9.826 1.00 0.00 N ATOM 363 CA HIS A 25 -4.020 -1.470 11.240 1.00 0.00 C ATOM 364 C HIS A 25 -3.290 -2.797 11.422 1.00 0.00 C ATOM 365 O HIS A 25 -3.536 -3.771 10.709 1.00 0.00 O ATOM 366 CB HIS A 25 -5.352 -1.500 11.990 1.00 0.00 C ATOM 367 CG HIS A 25 -5.243 -1.081 13.423 1.00 0.00 C ATOM 368 ND1 HIS A 25 -5.019 -1.971 14.453 1.00 0.00 N ATOM 369 CD2 HIS A 25 -5.326 0.142 13.997 1.00 0.00 C ATOM 370 CE1 HIS A 25 -4.971 -1.313 15.598 1.00 0.00 C ATOM 371 NE2 HIS A 25 -5.154 -0.029 15.349 1.00 0.00 N ATOM 0 H HIS A 25 -4.426 -2.011 9.255 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.398 -0.675 11.651 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.060 -0.846 11.482 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.762 -2.509 11.945 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -5.496 1.079 13.487 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.810 -1.751 16.572 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -5.166 0.715 16.047 1.00 0.00 H new ATOM 379 N PRO A 26 -2.371 -2.840 12.397 1.00 0.00 N ATOM 380 CA PRO A 26 -1.587 -4.042 12.695 1.00 0.00 C ATOM 381 C PRO A 26 -2.434 -5.149 13.312 1.00 0.00 C ATOM 382 O PRO A 26 -2.306 -6.318 12.947 1.00 0.00 O ATOM 383 CB PRO A 26 -0.543 -3.545 13.698 1.00 0.00 C ATOM 384 CG PRO A 26 -1.172 -2.359 14.344 1.00 0.00 C ATOM 385 CD PRO A 26 -2.026 -1.717 13.286 1.00 0.00 C ATOM 0 HA PRO A 26 -1.158 -4.482 11.795 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.302 -4.314 14.432 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.388 -3.277 13.200 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.773 -2.655 15.204 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.414 -1.665 14.708 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.916 -1.255 13.714 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.485 -0.935 12.754 1.00 0.00 H new ATOM 393 N MET A 27 -3.300 -4.773 14.247 1.00 0.00 N ATOM 394 CA MET A 27 -4.170 -5.736 14.913 1.00 0.00 C ATOM 395 C MET A 27 -5.146 -6.363 13.922 1.00 0.00 C ATOM 396 O MET A 27 -5.892 -7.279 14.268 1.00 0.00 O ATOM 397 CB MET A 27 -4.943 -5.058 16.047 1.00 0.00 C ATOM 398 CG MET A 27 -4.054 -4.564 17.177 1.00 0.00 C ATOM 399 SD MET A 27 -3.736 -5.834 18.416 1.00 0.00 S ATOM 400 CE MET A 27 -2.394 -6.734 17.642 1.00 0.00 C ATOM 0 H MET A 27 -3.418 -3.810 14.561 1.00 0.00 H new ATOM 0 HA MET A 27 -3.545 -6.526 15.330 1.00 0.00 H new ATOM 0 HB2 MET A 27 -5.503 -4.215 15.641 1.00 0.00 H new ATOM 0 HB3 MET A 27 -5.672 -5.761 16.450 1.00 0.00 H new ATOM 0 HG2 MET A 27 -3.106 -4.219 16.764 1.00 0.00 H new ATOM 0 HG3 MET A 27 -4.525 -3.705 17.655 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.683 -7.054 18.404 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.792 -7.608 17.127 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.889 -6.088 16.924 1.00 0.00 H new ATOM 410 N ASP A 28 -5.134 -5.865 12.691 1.00 0.00 N ATOM 411 CA ASP A 28 -6.017 -6.378 11.650 1.00 0.00 C ATOM 412 C ASP A 28 -5.357 -7.529 10.897 1.00 0.00 C ATOM 413 O ASP A 28 -6.001 -8.533 10.589 1.00 0.00 O ATOM 414 CB ASP A 28 -6.392 -5.262 10.674 1.00 0.00 C ATOM 415 CG ASP A 28 -7.644 -4.520 11.097 1.00 0.00 C ATOM 416 OD1 ASP A 28 -7.626 -3.893 12.177 1.00 0.00 O ATOM 417 OD2 ASP A 28 -8.642 -4.565 10.347 1.00 0.00 O ATOM 0 H ASP A 28 -4.523 -5.106 12.389 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.923 -6.752 12.127 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.564 -4.557 10.597 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.543 -5.687 9.681 1.00 0.00 H new ATOM 422 N PHE A 29 -4.070 -7.377 10.602 1.00 0.00 N ATOM 423 CA PHE A 29 -3.324 -8.402 9.882 1.00 0.00 C ATOM 424 C PHE A 29 -3.213 -9.678 10.713 1.00 0.00 C ATOM 425 O PHE A 29 -3.083 -10.774 10.170 1.00 0.00 O ATOM 426 CB PHE A 29 -1.927 -7.890 9.525 1.00 0.00 C ATOM 427 CG PHE A 29 -1.916 -6.468 9.042 1.00 0.00 C ATOM 428 CD1 PHE A 29 -2.696 -6.083 7.963 1.00 0.00 C ATOM 429 CD2 PHE A 29 -1.126 -5.517 9.666 1.00 0.00 C ATOM 430 CE1 PHE A 29 -2.686 -4.775 7.516 1.00 0.00 C ATOM 431 CE2 PHE A 29 -1.112 -4.207 9.223 1.00 0.00 C ATOM 432 CZ PHE A 29 -1.894 -3.836 8.148 1.00 0.00 C ATOM 0 H PHE A 29 -3.522 -6.553 10.851 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.865 -8.632 8.964 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.283 -7.973 10.401 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.500 -8.531 8.754 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.318 -6.813 7.466 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.514 -5.802 10.509 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.297 -4.487 6.673 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.490 -3.475 9.717 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.887 -2.813 7.801 1.00 0.00 H new ATOM 442 N GLU A 30 -3.265 -9.524 12.033 1.00 0.00 N ATOM 443 CA GLU A 30 -3.169 -10.662 12.938 1.00 0.00 C ATOM 444 C GLU A 30 -4.383 -11.577 12.793 1.00 0.00 C ATOM 445 O GLU A 30 -4.385 -12.705 13.285 1.00 0.00 O ATOM 446 CB GLU A 30 -3.049 -10.182 14.386 1.00 0.00 C ATOM 447 CG GLU A 30 -1.809 -9.344 14.648 1.00 0.00 C ATOM 448 CD GLU A 30 -1.307 -9.474 16.073 1.00 0.00 C ATOM 449 OE1 GLU A 30 -1.608 -10.501 16.717 1.00 0.00 O ATOM 450 OE2 GLU A 30 -0.613 -8.549 16.544 1.00 0.00 O ATOM 0 H GLU A 30 -3.373 -8.623 12.498 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.275 -11.228 12.675 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.933 -9.597 14.641 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.038 -11.048 15.047 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.019 -9.645 13.960 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.032 -8.298 14.439 1.00 0.00 H new ATOM 457 N ASP A 31 -5.412 -11.080 12.116 1.00 0.00 N ATOM 458 CA ASP A 31 -6.632 -11.852 11.905 1.00 0.00 C ATOM 459 C ASP A 31 -6.670 -12.433 10.495 1.00 0.00 C ATOM 460 O ASP A 31 -7.278 -13.478 10.260 1.00 0.00 O ATOM 461 CB ASP A 31 -7.862 -10.975 12.142 1.00 0.00 C ATOM 462 CG ASP A 31 -9.149 -11.776 12.158 1.00 0.00 C ATOM 463 OD1 ASP A 31 -9.163 -12.867 12.765 1.00 0.00 O ATOM 464 OD2 ASP A 31 -10.144 -11.310 11.563 1.00 0.00 O ATOM 0 H ASP A 31 -5.426 -10.147 11.704 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.640 -12.676 12.618 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.753 -10.449 13.091 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.919 -10.216 11.362 1.00 0.00 H new ATOM 469 N ASP A 32 -6.019 -11.749 9.561 1.00 0.00 N ATOM 470 CA ASP A 32 -5.979 -12.197 8.174 1.00 0.00 C ATOM 471 C ASP A 32 -4.991 -11.365 7.362 1.00 0.00 C ATOM 472 O ASP A 32 -4.908 -10.145 7.502 1.00 0.00 O ATOM 473 CB ASP A 32 -7.372 -12.113 7.547 1.00 0.00 C ATOM 474 CG ASP A 32 -8.159 -13.397 7.712 1.00 0.00 C ATOM 475 OD1 ASP A 32 -7.624 -14.471 7.363 1.00 0.00 O ATOM 476 OD2 ASP A 32 -9.311 -13.330 8.190 1.00 0.00 O ATOM 0 H ASP A 32 -5.512 -10.882 9.739 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.647 -13.235 8.163 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.924 -11.291 8.003 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.276 -11.883 6.486 1.00 0.00 H new ATOM 481 N PRO A 33 -4.222 -12.039 6.494 1.00 0.00 N ATOM 482 CA PRO A 33 -3.226 -11.381 5.643 1.00 0.00 C ATOM 483 C PRO A 33 -3.866 -10.521 4.559 1.00 0.00 C ATOM 484 O PRO A 33 -3.344 -9.464 4.202 1.00 0.00 O ATOM 485 CB PRO A 33 -2.466 -12.553 5.016 1.00 0.00 C ATOM 486 CG PRO A 33 -3.433 -13.687 5.039 1.00 0.00 C ATOM 487 CD PRO A 33 -4.267 -13.494 6.275 1.00 0.00 C ATOM 0 HA PRO A 33 -2.593 -10.698 6.210 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.151 -12.322 3.998 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.565 -12.789 5.582 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.055 -13.687 4.144 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -2.912 -14.644 5.065 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.288 -13.847 6.130 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.858 -14.041 7.125 1.00 0.00 H new ATOM 495 N LEU A 34 -5.000 -10.978 4.040 1.00 0.00 N ATOM 496 CA LEU A 34 -5.712 -10.249 2.996 1.00 0.00 C ATOM 497 C LEU A 34 -5.697 -8.749 3.272 1.00 0.00 C ATOM 498 O LEU A 34 -5.378 -7.949 2.393 1.00 0.00 O ATOM 499 CB LEU A 34 -7.155 -10.746 2.894 1.00 0.00 C ATOM 500 CG LEU A 34 -7.364 -12.050 2.123 1.00 0.00 C ATOM 501 CD1 LEU A 34 -7.453 -11.778 0.629 1.00 0.00 C ATOM 502 CD2 LEU A 34 -6.240 -13.032 2.423 1.00 0.00 C ATOM 0 H LEU A 34 -5.446 -11.850 4.325 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.204 -10.430 2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.545 -10.878 3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.753 -9.968 2.420 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.305 -12.495 2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.602 -12.717 0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.292 -11.111 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.529 -11.310 0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.405 -13.954 1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.286 -12.595 2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.223 -13.251 3.491 1.00 0.00 H new ATOM 514 N VAL A 35 -6.041 -8.375 4.501 1.00 0.00 N ATOM 515 CA VAL A 35 -6.064 -6.972 4.894 1.00 0.00 C ATOM 516 C VAL A 35 -4.842 -6.232 4.361 1.00 0.00 C ATOM 517 O VAL A 35 -4.969 -5.239 3.642 1.00 0.00 O ATOM 518 CB VAL A 35 -6.115 -6.819 6.426 1.00 0.00 C ATOM 519 CG1 VAL A 35 -6.216 -5.352 6.814 1.00 0.00 C ATOM 520 CG2 VAL A 35 -7.279 -7.612 7.001 1.00 0.00 C ATOM 0 H VAL A 35 -6.307 -9.025 5.241 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.966 -6.537 4.463 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.191 -7.217 6.844 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.251 -5.264 7.900 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.347 -4.815 6.434 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.123 -4.924 6.386 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.300 -7.493 8.084 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.214 -7.245 6.577 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.158 -8.667 6.754 1.00 0.00 H new ATOM 530 N LEU A 36 -3.660 -6.720 4.717 1.00 0.00 N ATOM 531 CA LEU A 36 -2.413 -6.106 4.274 1.00 0.00 C ATOM 532 C LEU A 36 -2.252 -6.229 2.763 1.00 0.00 C ATOM 533 O LEU A 36 -1.733 -5.326 2.108 1.00 0.00 O ATOM 534 CB LEU A 36 -1.222 -6.757 4.980 1.00 0.00 C ATOM 535 CG LEU A 36 0.060 -5.925 5.038 1.00 0.00 C ATOM 536 CD1 LEU A 36 -0.118 -4.734 5.966 1.00 0.00 C ATOM 537 CD2 LEU A 36 1.233 -6.784 5.488 1.00 0.00 C ATOM 0 H LEU A 36 -3.538 -7.540 5.312 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.446 -5.048 4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.519 -7.002 6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.998 -7.699 4.479 1.00 0.00 H new ATOM 0 HG LEU A 36 0.273 -5.550 4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.804 -4.154 5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.930 -4.106 5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.356 -5.087 6.969 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.137 -6.176 5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.029 -7.188 6.479 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.375 -7.604 4.784 1.00 0.00 H new ATOM 549 N ASN A 37 -2.704 -7.352 2.214 1.00 0.00 N ATOM 550 CA ASN A 37 -2.612 -7.593 0.779 1.00 0.00 C ATOM 551 C ASN A 37 -3.373 -6.526 -0.002 1.00 0.00 C ATOM 552 O ASN A 37 -2.785 -5.770 -0.774 1.00 0.00 O ATOM 553 CB ASN A 37 -3.160 -8.980 0.436 1.00 0.00 C ATOM 554 CG ASN A 37 -2.141 -10.078 0.670 1.00 0.00 C ATOM 555 OD1 ASN A 37 -2.513 -11.069 1.472 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -1.033 -10.036 0.136 1.00 0.00 N flip ATOM 0 H ASN A 37 -3.138 -8.110 2.742 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.561 -7.545 0.495 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.047 -9.177 1.039 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.474 -8.996 -0.608 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.790 -9.255 -0.473 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.358 -10.782 0.303 1.00 0.00 H new ATOM 563 N GLU A 38 -4.685 -6.471 0.207 1.00 0.00 N ATOM 564 CA GLU A 38 -5.527 -5.497 -0.478 1.00 0.00 C ATOM 565 C GLU A 38 -5.015 -4.078 -0.246 1.00 0.00 C ATOM 566 O GLU A 38 -4.994 -3.257 -1.163 1.00 0.00 O ATOM 567 CB GLU A 38 -6.975 -5.614 0.003 1.00 0.00 C ATOM 568 CG GLU A 38 -7.105 -6.149 1.419 1.00 0.00 C ATOM 569 CD GLU A 38 -8.315 -5.593 2.144 1.00 0.00 C ATOM 570 OE1 GLU A 38 -8.625 -4.399 1.954 1.00 0.00 O ATOM 571 OE2 GLU A 38 -8.953 -6.354 2.902 1.00 0.00 O ATOM 0 H GLU A 38 -5.187 -7.089 0.845 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.489 -5.709 -1.547 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.447 -4.633 -0.050 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.522 -6.268 -0.675 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.173 -7.236 1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.204 -5.902 1.981 1.00 0.00 H new ATOM 578 N ILE A 39 -4.605 -3.797 0.987 1.00 0.00 N ATOM 579 CA ILE A 39 -4.094 -2.479 1.339 1.00 0.00 C ATOM 580 C ILE A 39 -2.844 -2.140 0.533 1.00 0.00 C ATOM 581 O ILE A 39 -2.789 -1.112 -0.143 1.00 0.00 O ATOM 582 CB ILE A 39 -3.763 -2.386 2.840 1.00 0.00 C ATOM 583 CG1 ILE A 39 -5.050 -2.365 3.668 1.00 0.00 C ATOM 584 CG2 ILE A 39 -2.925 -1.148 3.123 1.00 0.00 C ATOM 585 CD1 ILE A 39 -4.821 -2.582 5.147 1.00 0.00 C ATOM 0 H ILE A 39 -4.617 -4.465 1.758 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.881 -1.763 1.103 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.184 -3.265 3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.550 -1.407 3.523 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.724 -3.136 3.296 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.700 -1.097 4.188 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.995 -1.201 2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.480 -0.258 2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.776 -2.554 5.671 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.349 -3.552 5.304 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.172 -1.796 5.534 1.00 0.00 H new ATOM 597 N ARG A 40 -1.845 -3.012 0.608 1.00 0.00 N ATOM 598 CA ARG A 40 -0.596 -2.806 -0.116 1.00 0.00 C ATOM 599 C ARG A 40 -0.861 -2.546 -1.596 1.00 0.00 C ATOM 600 O ARG A 40 -0.485 -1.502 -2.128 1.00 0.00 O ATOM 601 CB ARG A 40 0.317 -4.024 0.043 1.00 0.00 C ATOM 602 CG ARG A 40 1.767 -3.749 -0.321 1.00 0.00 C ATOM 603 CD ARG A 40 2.459 -5.002 -0.834 1.00 0.00 C ATOM 604 NE ARG A 40 3.904 -4.954 -0.626 1.00 0.00 N ATOM 605 CZ ARG A 40 4.686 -6.028 -0.645 1.00 0.00 C ATOM 606 NH1 ARG A 40 4.165 -7.227 -0.862 1.00 0.00 N ATOM 607 NH2 ARG A 40 5.992 -5.902 -0.447 1.00 0.00 N ATOM 0 H ARG A 40 -1.875 -3.868 1.162 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.101 -1.931 0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.270 -4.371 1.075 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.059 -4.834 -0.583 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.811 -2.970 -1.082 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.297 -3.371 0.553 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.049 -5.876 -0.328 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.250 -5.122 -1.897 1.00 0.00 H new ATOM 0 HE ARG A 40 4.337 -4.046 -0.457 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.161 -7.327 -1.015 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.768 -8.050 -0.876 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.396 -4.980 -0.280 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.592 -6.727 -0.462 1.00 0.00 H new ATOM 621 N GLU A 41 -1.511 -3.501 -2.252 1.00 0.00 N ATOM 622 CA GLU A 41 -1.824 -3.375 -3.671 1.00 0.00 C ATOM 623 C GLU A 41 -2.599 -2.089 -3.944 1.00 0.00 C ATOM 624 O GLU A 41 -2.412 -1.446 -4.977 1.00 0.00 O ATOM 625 CB GLU A 41 -2.635 -4.582 -4.146 1.00 0.00 C ATOM 626 CG GLU A 41 -4.138 -4.379 -4.059 1.00 0.00 C ATOM 627 CD GLU A 41 -4.899 -5.686 -3.948 1.00 0.00 C ATOM 628 OE1 GLU A 41 -4.347 -6.647 -3.372 1.00 0.00 O ATOM 629 OE2 GLU A 41 -6.046 -5.748 -4.438 1.00 0.00 O ATOM 0 H GLU A 41 -1.831 -4.370 -1.825 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.885 -3.338 -4.223 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.366 -4.806 -5.178 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.359 -5.452 -3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.367 -3.755 -3.195 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.479 -3.838 -4.942 1.00 0.00 H new ATOM 636 N ASP A 42 -3.470 -1.720 -3.011 1.00 0.00 N ATOM 637 CA ASP A 42 -4.273 -0.511 -3.149 1.00 0.00 C ATOM 638 C ASP A 42 -3.383 0.721 -3.276 1.00 0.00 C ATOM 639 O ASP A 42 -3.634 1.599 -4.103 1.00 0.00 O ATOM 640 CB ASP A 42 -5.212 -0.357 -1.952 1.00 0.00 C ATOM 641 CG ASP A 42 -6.550 -1.034 -2.173 1.00 0.00 C ATOM 642 OD1 ASP A 42 -7.089 -0.928 -3.294 1.00 0.00 O ATOM 643 OD2 ASP A 42 -7.057 -1.670 -1.226 1.00 0.00 O ATOM 0 H ASP A 42 -3.638 -2.241 -2.151 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.868 -0.602 -4.058 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.737 -0.778 -1.066 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.373 0.703 -1.755 1.00 0.00 H new ATOM 648 N LEU A 43 -2.344 0.781 -2.451 1.00 0.00 N ATOM 649 CA LEU A 43 -1.416 1.907 -2.470 1.00 0.00 C ATOM 650 C LEU A 43 -0.647 1.957 -3.786 1.00 0.00 C ATOM 651 O LEU A 43 -0.274 3.031 -4.258 1.00 0.00 O ATOM 652 CB LEU A 43 -0.438 1.806 -1.298 1.00 0.00 C ATOM 653 CG LEU A 43 -0.838 2.551 -0.024 1.00 0.00 C ATOM 654 CD1 LEU A 43 0.244 2.415 1.036 1.00 0.00 C ATOM 655 CD2 LEU A 43 -1.110 4.017 -0.327 1.00 0.00 C ATOM 0 H LEU A 43 -2.123 0.064 -1.761 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.995 2.825 -2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.304 0.753 -1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.531 2.182 -1.626 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.754 2.105 0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.058 2.952 1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.390 1.361 1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.177 2.835 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.393 4.532 0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.211 4.476 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.921 4.094 -1.051 1.00 0.00 H new ATOM 667 N ARG A 44 -0.415 0.788 -4.375 1.00 0.00 N ATOM 668 CA ARG A 44 0.308 0.699 -5.638 1.00 0.00 C ATOM 669 C ARG A 44 -0.590 1.088 -6.808 1.00 0.00 C ATOM 670 O ARG A 44 -0.136 1.693 -7.779 1.00 0.00 O ATOM 671 CB ARG A 44 0.845 -0.719 -5.844 1.00 0.00 C ATOM 672 CG ARG A 44 2.261 -0.915 -5.326 1.00 0.00 C ATOM 673 CD ARG A 44 2.478 -2.333 -4.823 1.00 0.00 C ATOM 674 NE ARG A 44 2.785 -3.259 -5.911 1.00 0.00 N ATOM 675 CZ ARG A 44 2.961 -4.564 -5.737 1.00 0.00 C ATOM 676 NH1 ARG A 44 2.860 -5.095 -4.527 1.00 0.00 N ATOM 677 NH2 ARG A 44 3.238 -5.341 -6.777 1.00 0.00 N ATOM 0 H ARG A 44 -0.717 -0.110 -3.998 1.00 0.00 H new ATOM 0 HA ARG A 44 1.145 1.396 -5.598 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.183 -1.426 -5.343 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.820 -0.957 -6.907 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.974 -0.697 -6.121 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.456 -0.208 -4.520 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.294 -2.340 -4.100 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.584 -2.673 -4.299 1.00 0.00 H new ATOM 0 HE ARG A 44 2.869 -2.883 -6.855 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.646 -4.501 -3.726 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.996 -6.098 -4.397 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.316 -4.936 -7.710 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.373 -6.343 -6.643 1.00 0.00 H new ATOM 691 N VAL A 45 -1.869 0.738 -6.708 1.00 0.00 N ATOM 692 CA VAL A 45 -2.831 1.051 -7.758 1.00 0.00 C ATOM 693 C VAL A 45 -3.304 2.497 -7.656 1.00 0.00 C ATOM 694 O VAL A 45 -3.729 3.092 -8.645 1.00 0.00 O ATOM 695 CB VAL A 45 -4.054 0.117 -7.694 1.00 0.00 C ATOM 696 CG1 VAL A 45 -3.630 -1.293 -7.312 1.00 0.00 C ATOM 697 CG2 VAL A 45 -5.086 0.656 -6.716 1.00 0.00 C ATOM 0 H VAL A 45 -2.262 0.238 -5.911 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.320 0.905 -8.710 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.511 0.078 -8.683 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.507 -1.938 -7.272 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.931 -1.677 -8.055 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.147 -1.276 -6.335 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.943 -0.017 -6.684 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.643 0.727 -5.723 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.413 1.644 -7.040 1.00 0.00 H new ATOM 707 N GLU A 46 -3.226 3.056 -6.452 1.00 0.00 N ATOM 708 CA GLU A 46 -3.647 4.433 -6.221 1.00 0.00 C ATOM 709 C GLU A 46 -2.573 5.414 -6.681 1.00 0.00 C ATOM 710 O GLU A 46 -2.864 6.388 -7.376 1.00 0.00 O ATOM 711 CB GLU A 46 -3.955 4.654 -4.739 1.00 0.00 C ATOM 712 CG GLU A 46 -2.754 5.118 -3.931 1.00 0.00 C ATOM 713 CD GLU A 46 -3.125 5.527 -2.518 1.00 0.00 C ATOM 714 OE1 GLU A 46 -4.327 5.478 -2.183 1.00 0.00 O ATOM 715 OE2 GLU A 46 -2.214 5.895 -1.748 1.00 0.00 O ATOM 0 H GLU A 46 -2.876 2.577 -5.623 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.551 4.612 -6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.751 5.393 -4.648 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.332 3.725 -4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.016 4.317 -3.892 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.283 5.961 -4.438 1.00 0.00 H new ATOM 722 N CYS A 47 -1.332 5.151 -6.288 1.00 0.00 N ATOM 723 CA CYS A 47 -0.213 6.011 -6.657 1.00 0.00 C ATOM 724 C CYS A 47 0.141 5.839 -8.131 1.00 0.00 C ATOM 725 O CYS A 47 0.872 6.647 -8.703 1.00 0.00 O ATOM 726 CB CYS A 47 1.006 5.700 -5.788 1.00 0.00 C ATOM 727 SG CYS A 47 0.772 6.064 -4.032 1.00 0.00 S ATOM 0 H CYS A 47 -1.075 4.348 -5.713 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.513 7.046 -6.491 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.259 4.646 -5.899 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.857 6.272 -6.157 1.00 0.00 H new ATOM 0 HG CYS A 47 0.271 5.023 -3.436 1.00 0.00 H new ATOM 733 N SER A 48 -0.382 4.779 -8.740 1.00 0.00 N ATOM 734 CA SER A 48 -0.116 4.497 -10.146 1.00 0.00 C ATOM 735 C SER A 48 -1.035 5.317 -11.047 1.00 0.00 C ATOM 736 O SER A 48 -0.699 5.610 -12.195 1.00 0.00 O ATOM 737 CB SER A 48 -0.301 3.006 -10.433 1.00 0.00 C ATOM 738 OG SER A 48 -0.489 2.772 -11.818 1.00 0.00 O ATOM 0 H SER A 48 -0.992 4.102 -8.282 1.00 0.00 H new ATOM 0 HA SER A 48 0.916 4.775 -10.358 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.571 2.454 -10.083 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.160 2.630 -9.878 1.00 0.00 H new ATOM 0 HG SER A 48 -0.603 1.811 -11.975 1.00 0.00 H new ATOM 744 N LYS A 49 -2.197 5.685 -10.518 1.00 0.00 N ATOM 745 CA LYS A 49 -3.166 6.472 -11.272 1.00 0.00 C ATOM 746 C LYS A 49 -2.485 7.639 -11.980 1.00 0.00 C ATOM 747 O LYS A 49 -2.793 7.943 -13.133 1.00 0.00 O ATOM 748 CB LYS A 49 -4.262 6.996 -10.342 1.00 0.00 C ATOM 749 CG LYS A 49 -5.000 5.900 -9.594 1.00 0.00 C ATOM 750 CD LYS A 49 -5.580 4.867 -10.547 1.00 0.00 C ATOM 751 CE LYS A 49 -6.404 3.825 -9.806 1.00 0.00 C ATOM 752 NZ LYS A 49 -7.492 3.271 -10.658 1.00 0.00 N ATOM 0 H LYS A 49 -2.491 5.451 -9.570 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.616 5.825 -12.025 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.817 7.681 -9.620 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.979 7.571 -10.927 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.319 5.412 -8.897 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.802 6.340 -9.001 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.204 5.365 -11.289 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.772 4.375 -11.088 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.753 3.015 -9.475 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.836 4.273 -8.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.031 2.565 -10.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.128 4.040 -10.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.079 2.821 -11.500 1.00 0.00 H new ATOM 766 N PHE A 50 -1.558 8.289 -11.284 1.00 0.00 N ATOM 767 CA PHE A 50 -0.833 9.422 -11.847 1.00 0.00 C ATOM 768 C PHE A 50 0.266 8.949 -12.794 1.00 0.00 C ATOM 769 O PHE A 50 0.598 9.626 -13.765 1.00 0.00 O ATOM 770 CB PHE A 50 -0.228 10.274 -10.730 1.00 0.00 C ATOM 771 CG PHE A 50 -1.101 10.372 -9.511 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.082 9.376 -8.548 1.00 0.00 C ATOM 773 CD2 PHE A 50 -1.939 11.460 -9.329 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.885 9.464 -7.426 1.00 0.00 C ATOM 775 CE2 PHE A 50 -2.744 11.553 -8.209 1.00 0.00 C ATOM 776 CZ PHE A 50 -2.716 10.554 -7.256 1.00 0.00 C ATOM 0 H PHE A 50 -1.291 8.050 -10.329 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.540 10.028 -12.414 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.736 9.853 -10.444 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.037 11.277 -11.112 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.433 8.522 -8.675 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.964 12.245 -10.071 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.862 8.681 -6.683 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.394 12.406 -8.080 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.343 10.625 -6.379 1.00 0.00 H new ATOM 786 N GLY A 51 0.828 7.780 -12.501 1.00 0.00 N ATOM 787 CA GLY A 51 1.885 7.235 -13.333 1.00 0.00 C ATOM 788 C GLY A 51 2.205 5.793 -12.995 1.00 0.00 C ATOM 789 O GLY A 51 1.582 4.872 -13.523 1.00 0.00 O ATOM 0 H GLY A 51 0.570 7.201 -11.702 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.590 7.302 -14.380 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.784 7.840 -13.216 1.00 0.00 H new ATOM 793 N GLN A 52 3.179 5.596 -12.113 1.00 0.00 N ATOM 794 CA GLN A 52 3.582 4.254 -11.707 1.00 0.00 C ATOM 795 C GLN A 52 4.062 4.245 -10.259 1.00 0.00 C ATOM 796 O GLN A 52 4.049 5.275 -9.584 1.00 0.00 O ATOM 797 CB GLN A 52 4.686 3.730 -12.626 1.00 0.00 C ATOM 798 CG GLN A 52 6.087 3.930 -12.070 1.00 0.00 C ATOM 799 CD GLN A 52 7.148 3.940 -13.153 1.00 0.00 C ATOM 800 OE1 GLN A 52 7.445 2.908 -13.756 1.00 0.00 O ATOM 801 NE2 GLN A 52 7.727 5.108 -13.404 1.00 0.00 N ATOM 0 H GLN A 52 3.704 6.348 -11.666 1.00 0.00 H new ATOM 0 HA GLN A 52 2.713 3.601 -11.787 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.524 2.667 -12.806 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.612 4.231 -13.591 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.125 4.871 -11.521 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.308 3.135 -11.357 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.450 5.938 -12.880 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.449 5.176 -14.121 1.00 0.00 H new ATOM 810 N ILE A 53 4.484 3.076 -9.789 1.00 0.00 N ATOM 811 CA ILE A 53 4.969 2.933 -8.422 1.00 0.00 C ATOM 812 C ILE A 53 6.410 2.435 -8.399 1.00 0.00 C ATOM 813 O ILE A 53 6.662 1.231 -8.442 1.00 0.00 O ATOM 814 CB ILE A 53 4.089 1.964 -7.611 1.00 0.00 C ATOM 815 CG1 ILE A 53 2.626 2.089 -8.039 1.00 0.00 C ATOM 816 CG2 ILE A 53 4.236 2.236 -6.121 1.00 0.00 C ATOM 817 CD1 ILE A 53 2.100 3.506 -7.989 1.00 0.00 C ATOM 0 H ILE A 53 4.500 2.214 -10.335 1.00 0.00 H new ATOM 0 HA ILE A 53 4.922 3.922 -7.965 1.00 0.00 H new ATOM 0 HB ILE A 53 4.420 0.944 -7.809 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.519 1.706 -9.054 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.012 1.460 -7.394 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.608 1.543 -5.561 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.277 2.101 -5.827 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.929 3.259 -5.906 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.057 3.518 -8.306 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.174 3.886 -6.970 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.689 4.136 -8.655 1.00 0.00 H new ATOM 829 N ARG A 54 7.353 3.369 -8.329 1.00 0.00 N ATOM 830 CA ARG A 54 8.769 3.025 -8.299 1.00 0.00 C ATOM 831 C ARG A 54 9.057 2.005 -7.202 1.00 0.00 C ATOM 832 O ARG A 54 9.872 1.099 -7.380 1.00 0.00 O ATOM 833 CB ARG A 54 9.616 4.280 -8.079 1.00 0.00 C ATOM 834 CG ARG A 54 9.950 5.022 -9.363 1.00 0.00 C ATOM 835 CD ARG A 54 11.262 4.538 -9.961 1.00 0.00 C ATOM 836 NE ARG A 54 11.271 4.643 -11.417 1.00 0.00 N ATOM 837 CZ ARG A 54 12.377 4.584 -12.151 1.00 0.00 C ATOM 838 NH1 ARG A 54 13.556 4.420 -11.568 1.00 0.00 N ATOM 839 NH2 ARG A 54 12.304 4.688 -13.472 1.00 0.00 N ATOM 0 H ARG A 54 7.162 4.370 -8.292 1.00 0.00 H new ATOM 0 HA ARG A 54 9.030 2.583 -9.260 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.084 4.954 -7.408 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.543 3.999 -7.580 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.146 4.882 -10.085 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.014 6.091 -9.161 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.085 5.123 -9.550 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.432 3.501 -9.671 1.00 0.00 H new ATOM 0 HE ARG A 54 10.380 4.768 -11.897 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.616 4.339 -10.553 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.403 4.375 -12.134 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.398 4.813 -13.924 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.153 4.643 -14.035 1.00 0.00 H new ATOM 853 N LYS A 55 8.384 2.158 -6.067 1.00 0.00 N ATOM 854 CA LYS A 55 8.567 1.250 -4.940 1.00 0.00 C ATOM 855 C LYS A 55 7.510 1.495 -3.868 1.00 0.00 C ATOM 856 O LYS A 55 7.063 2.626 -3.668 1.00 0.00 O ATOM 857 CB LYS A 55 9.965 1.422 -4.341 1.00 0.00 C ATOM 858 CG LYS A 55 10.571 0.126 -3.832 1.00 0.00 C ATOM 859 CD LYS A 55 10.170 -0.149 -2.392 1.00 0.00 C ATOM 860 CE LYS A 55 10.353 -1.616 -2.033 1.00 0.00 C ATOM 861 NZ LYS A 55 9.349 -2.482 -2.710 1.00 0.00 N ATOM 0 H LYS A 55 7.706 2.902 -5.903 1.00 0.00 H new ATOM 0 HA LYS A 55 8.459 0.229 -5.307 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.625 1.850 -5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.914 2.137 -3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.248 -0.701 -4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.657 0.178 -3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.769 0.468 -1.722 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.129 0.136 -2.242 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.357 -1.936 -2.313 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.269 -1.739 -0.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.384 -3.438 -2.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.398 -2.082 -2.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.562 -2.531 -3.727 1.00 0.00 H new ATOM 875 N LEU A 56 7.114 0.430 -3.180 1.00 0.00 N ATOM 876 CA LEU A 56 6.110 0.529 -2.126 1.00 0.00 C ATOM 877 C LEU A 56 6.580 -0.176 -0.858 1.00 0.00 C ATOM 878 O LEU A 56 7.223 -1.225 -0.919 1.00 0.00 O ATOM 879 CB LEU A 56 4.786 -0.074 -2.597 1.00 0.00 C ATOM 880 CG LEU A 56 3.520 0.512 -1.971 1.00 0.00 C ATOM 881 CD1 LEU A 56 3.006 1.679 -2.799 1.00 0.00 C ATOM 882 CD2 LEU A 56 2.448 -0.559 -1.832 1.00 0.00 C ATOM 0 H LEU A 56 7.473 -0.512 -3.333 1.00 0.00 H new ATOM 0 HA LEU A 56 5.961 1.585 -1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.720 0.044 -3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.805 -1.145 -2.394 1.00 0.00 H new ATOM 0 HG LEU A 56 3.768 0.881 -0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.105 2.083 -2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.769 2.456 -2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.775 1.336 -3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.554 -0.124 -1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.203 -0.959 -2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.817 -1.363 -1.195 1.00 0.00 H new ATOM 894 N LEU A 57 6.254 0.405 0.291 1.00 0.00 N ATOM 895 CA LEU A 57 6.641 -0.168 1.576 1.00 0.00 C ATOM 896 C LEU A 57 5.548 0.046 2.619 1.00 0.00 C ATOM 897 O LEU A 57 5.334 1.164 3.089 1.00 0.00 O ATOM 898 CB LEU A 57 7.952 0.453 2.060 1.00 0.00 C ATOM 899 CG LEU A 57 9.180 0.195 1.186 1.00 0.00 C ATOM 900 CD1 LEU A 57 10.289 1.180 1.519 1.00 0.00 C ATOM 901 CD2 LEU A 57 9.666 -1.237 1.358 1.00 0.00 C ATOM 0 H LEU A 57 5.722 1.273 0.360 1.00 0.00 H new ATOM 0 HA LEU A 57 6.783 -1.240 1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.811 1.531 2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.159 0.079 3.063 1.00 0.00 H new ATOM 0 HG LEU A 57 8.896 0.338 0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.154 0.981 0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.938 2.197 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.571 1.070 2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.540 -1.403 0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.932 -1.408 2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.874 -1.927 1.068 1.00 0.00 H new ATOM 913 N LEU A 58 4.861 -1.033 2.977 1.00 0.00 N ATOM 914 CA LEU A 58 3.791 -0.965 3.967 1.00 0.00 C ATOM 915 C LEU A 58 4.320 -1.279 5.363 1.00 0.00 C ATOM 916 O LEU A 58 4.736 -2.404 5.642 1.00 0.00 O ATOM 917 CB LEU A 58 2.670 -1.939 3.603 1.00 0.00 C ATOM 918 CG LEU A 58 1.254 -1.508 3.989 1.00 0.00 C ATOM 919 CD1 LEU A 58 0.229 -2.484 3.434 1.00 0.00 C ATOM 920 CD2 LEU A 58 1.125 -1.397 5.502 1.00 0.00 C ATOM 0 H LEU A 58 5.025 -1.965 2.597 1.00 0.00 H new ATOM 0 HA LEU A 58 3.395 0.051 3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.696 -2.106 2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.879 -2.897 4.079 1.00 0.00 H new ATOM 0 HG LEU A 58 1.062 -0.527 3.555 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.772 -2.161 3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.306 -2.513 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.418 -3.479 3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.111 -1.089 5.759 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.337 -2.364 5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.834 -0.658 5.874 1.00 0.00 H new ATOM 932 N PHE A 59 4.299 -0.279 6.237 1.00 0.00 N ATOM 933 CA PHE A 59 4.775 -0.449 7.605 1.00 0.00 C ATOM 934 C PHE A 59 3.658 -0.957 8.511 1.00 0.00 C ATOM 935 O PHE A 59 3.151 -0.224 9.360 1.00 0.00 O ATOM 936 CB PHE A 59 5.323 0.874 8.145 1.00 0.00 C ATOM 937 CG PHE A 59 6.325 1.524 7.234 1.00 0.00 C ATOM 938 CD1 PHE A 59 7.160 0.755 6.439 1.00 0.00 C ATOM 939 CD2 PHE A 59 6.432 2.904 7.173 1.00 0.00 C ATOM 940 CE1 PHE A 59 8.082 1.351 5.599 1.00 0.00 C ATOM 941 CE2 PHE A 59 7.352 3.505 6.334 1.00 0.00 C ATOM 942 CZ PHE A 59 8.179 2.728 5.548 1.00 0.00 C ATOM 0 H PHE A 59 3.957 0.658 6.023 1.00 0.00 H new ATOM 0 HA PHE A 59 5.575 -1.189 7.595 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.493 1.562 8.309 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.787 0.697 9.115 1.00 0.00 H new ATOM 0 HD1 PHE A 59 7.090 -0.322 6.476 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.790 3.517 7.788 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.726 0.741 4.983 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.424 4.582 6.294 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.900 3.196 4.894 1.00 0.00 H new ATOM 952 N ASP A 60 3.278 -2.216 8.323 1.00 0.00 N ATOM 953 CA ASP A 60 2.221 -2.823 9.123 1.00 0.00 C ATOM 954 C ASP A 60 2.529 -2.704 10.612 1.00 0.00 C ATOM 955 O ASP A 60 1.660 -2.927 11.455 1.00 0.00 O ATOM 956 CB ASP A 60 2.045 -4.294 8.742 1.00 0.00 C ATOM 957 CG ASP A 60 3.359 -5.049 8.726 1.00 0.00 C ATOM 958 OD1 ASP A 60 4.377 -4.459 8.308 1.00 0.00 O ATOM 959 OD2 ASP A 60 3.370 -6.231 9.130 1.00 0.00 O ATOM 0 H ASP A 60 3.686 -2.836 7.624 1.00 0.00 H new ATOM 0 HA ASP A 60 1.293 -2.289 8.919 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.364 -4.770 9.448 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.580 -4.358 7.758 1.00 0.00 H new ATOM 964 N ARG A 61 3.771 -2.352 10.927 1.00 0.00 N ATOM 965 CA ARG A 61 4.195 -2.206 12.315 1.00 0.00 C ATOM 966 C ARG A 61 3.477 -1.036 12.982 1.00 0.00 C ATOM 967 O ARG A 61 2.887 -1.185 14.052 1.00 0.00 O ATOM 968 CB ARG A 61 5.708 -1.998 12.389 1.00 0.00 C ATOM 969 CG ARG A 61 6.497 -3.294 12.484 1.00 0.00 C ATOM 970 CD ARG A 61 5.778 -4.436 11.782 1.00 0.00 C ATOM 971 NE ARG A 61 4.873 -5.147 12.681 1.00 0.00 N ATOM 972 CZ ARG A 61 5.282 -5.865 13.721 1.00 0.00 C ATOM 973 NH1 ARG A 61 6.576 -5.966 13.992 1.00 0.00 N ATOM 974 NH2 ARG A 61 4.397 -6.483 14.492 1.00 0.00 N ATOM 0 H ARG A 61 4.501 -2.163 10.241 1.00 0.00 H new ATOM 0 HA ARG A 61 3.935 -3.121 12.847 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.034 -1.448 11.506 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.939 -1.378 13.255 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.482 -3.155 12.039 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.653 -3.550 13.532 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.214 -4.044 10.936 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.512 -5.134 11.380 1.00 0.00 H new ATOM 0 HE ARG A 61 3.871 -5.089 12.500 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.259 -5.492 13.401 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.888 -6.518 14.791 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.401 -6.407 14.287 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.713 -7.034 15.290 1.00 0.00 H new ATOM 988 N HIS A 62 3.532 0.128 12.342 1.00 0.00 N ATOM 989 CA HIS A 62 2.887 1.323 12.873 1.00 0.00 C ATOM 990 C HIS A 62 1.385 1.104 13.035 1.00 0.00 C ATOM 991 O HIS A 62 0.686 0.714 12.100 1.00 0.00 O ATOM 992 CB HIS A 62 3.144 2.518 11.954 1.00 0.00 C ATOM 993 CG HIS A 62 3.237 3.824 12.682 1.00 0.00 C ATOM 994 ND1 HIS A 62 2.138 4.608 12.964 1.00 0.00 N ATOM 995 CD2 HIS A 62 4.306 4.482 13.187 1.00 0.00 C ATOM 996 CE1 HIS A 62 2.528 5.693 13.610 1.00 0.00 C ATOM 997 NE2 HIS A 62 3.840 5.640 13.759 1.00 0.00 N ATOM 0 H HIS A 62 4.016 0.269 11.455 1.00 0.00 H new ATOM 0 HA HIS A 62 3.314 1.530 13.854 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.070 2.351 11.405 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.343 2.578 11.217 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.335 4.157 13.147 1.00 0.00 H new ATOM 0 HE1 HIS A 62 1.884 6.488 13.957 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.413 6.345 14.223 1.00 0.00 H new ATOM 1005 N PRO A 63 0.877 1.361 14.249 1.00 0.00 N ATOM 1006 CA PRO A 63 -0.546 1.198 14.562 1.00 0.00 C ATOM 1007 C PRO A 63 -1.415 2.243 13.870 1.00 0.00 C ATOM 1008 O PRO A 63 -2.589 2.001 13.590 1.00 0.00 O ATOM 1009 CB PRO A 63 -0.598 1.380 16.081 1.00 0.00 C ATOM 1010 CG PRO A 63 0.591 2.217 16.404 1.00 0.00 C ATOM 1011 CD PRO A 63 1.652 1.829 15.411 1.00 0.00 C ATOM 0 HA PRO A 63 -0.931 0.237 14.221 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.522 1.869 16.390 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.558 0.420 16.596 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.354 3.278 16.327 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.928 2.039 17.425 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.290 2.674 15.154 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.302 1.046 15.802 1.00 0.00 H new ATOM 1019 N ASP A 64 -0.830 3.404 13.597 1.00 0.00 N ATOM 1020 CA ASP A 64 -1.551 4.486 12.936 1.00 0.00 C ATOM 1021 C ASP A 64 -1.525 4.310 11.421 1.00 0.00 C ATOM 1022 O ASP A 64 -1.696 5.270 10.671 1.00 0.00 O ATOM 1023 CB ASP A 64 -0.944 5.838 13.315 1.00 0.00 C ATOM 1024 CG ASP A 64 -1.966 6.958 13.293 1.00 0.00 C ATOM 1025 OD1 ASP A 64 -2.351 7.388 12.186 1.00 0.00 O ATOM 1026 OD2 ASP A 64 -2.380 7.405 14.384 1.00 0.00 O ATOM 0 H ASP A 64 0.141 3.620 13.823 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.588 4.456 13.270 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.505 5.770 14.311 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.134 6.076 12.625 1.00 0.00 H new ATOM 1031 N GLY A 65 -1.309 3.075 10.977 1.00 0.00 N ATOM 1032 CA GLY A 65 -1.263 2.796 9.553 1.00 0.00 C ATOM 1033 C GLY A 65 -0.328 3.729 8.809 1.00 0.00 C ATOM 1034 O GLY A 65 -0.722 4.825 8.409 1.00 0.00 O ATOM 0 H GLY A 65 -1.165 2.263 11.578 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.942 1.766 9.398 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.266 2.884 9.136 1.00 0.00 H new ATOM 1038 N VAL A 66 0.914 3.296 8.624 1.00 0.00 N ATOM 1039 CA VAL A 66 1.908 4.100 7.923 1.00 0.00 C ATOM 1040 C VAL A 66 2.486 3.345 6.731 1.00 0.00 C ATOM 1041 O VAL A 66 2.802 2.159 6.829 1.00 0.00 O ATOM 1042 CB VAL A 66 3.058 4.514 8.861 1.00 0.00 C ATOM 1043 CG1 VAL A 66 4.095 5.330 8.106 1.00 0.00 C ATOM 1044 CG2 VAL A 66 2.519 5.291 10.052 1.00 0.00 C ATOM 0 H VAL A 66 1.257 2.392 8.950 1.00 0.00 H new ATOM 0 HA VAL A 66 1.397 4.995 7.569 1.00 0.00 H new ATOM 0 HB VAL A 66 3.543 3.612 9.234 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.899 5.613 8.785 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.502 4.734 7.289 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.628 6.228 7.702 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.344 5.576 10.704 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.008 6.188 9.701 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.817 4.667 10.606 1.00 0.00 H new ATOM 1054 N ALA A 67 2.621 4.040 5.607 1.00 0.00 N ATOM 1055 CA ALA A 67 3.163 3.436 4.396 1.00 0.00 C ATOM 1056 C ALA A 67 4.092 4.402 3.669 1.00 0.00 C ATOM 1057 O ALA A 67 4.016 5.615 3.862 1.00 0.00 O ATOM 1058 CB ALA A 67 2.035 2.992 3.477 1.00 0.00 C ATOM 0 H ALA A 67 2.363 5.022 5.509 1.00 0.00 H new ATOM 0 HA ALA A 67 3.746 2.562 4.685 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.455 2.543 2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.413 2.260 3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.428 3.855 3.203 1.00 0.00 H new ATOM 1064 N SER A 68 4.970 3.856 2.833 1.00 0.00 N ATOM 1065 CA SER A 68 5.917 4.670 2.080 1.00 0.00 C ATOM 1066 C SER A 68 5.847 4.346 0.590 1.00 0.00 C ATOM 1067 O SER A 68 6.297 3.287 0.152 1.00 0.00 O ATOM 1068 CB SER A 68 7.339 4.444 2.596 1.00 0.00 C ATOM 1069 OG SER A 68 8.170 5.554 2.304 1.00 0.00 O ATOM 0 H SER A 68 5.045 2.854 2.660 1.00 0.00 H new ATOM 0 HA SER A 68 5.650 5.717 2.220 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.316 4.276 3.673 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.755 3.545 2.142 1.00 0.00 H new ATOM 0 HG SER A 68 9.073 5.385 2.646 1.00 0.00 H new ATOM 1075 N VAL A 69 5.280 5.267 -0.183 1.00 0.00 N ATOM 1076 CA VAL A 69 5.152 5.081 -1.624 1.00 0.00 C ATOM 1077 C VAL A 69 6.189 5.905 -2.378 1.00 0.00 C ATOM 1078 O VAL A 69 6.089 7.129 -2.455 1.00 0.00 O ATOM 1079 CB VAL A 69 3.746 5.471 -2.117 1.00 0.00 C ATOM 1080 CG1 VAL A 69 3.445 4.808 -3.452 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.696 5.100 -1.080 1.00 0.00 C ATOM 0 H VAL A 69 4.902 6.149 0.164 1.00 0.00 H new ATOM 0 HA VAL A 69 5.318 4.022 -1.823 1.00 0.00 H new ATOM 0 HB VAL A 69 3.717 6.551 -2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.447 5.095 -3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.180 5.128 -4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.492 3.725 -3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.709 5.383 -1.445 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.723 4.025 -0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.903 5.626 -0.148 1.00 0.00 H new ATOM 1091 N SER A 70 7.186 5.224 -2.935 1.00 0.00 N ATOM 1092 CA SER A 70 8.245 5.893 -3.681 1.00 0.00 C ATOM 1093 C SER A 70 7.780 6.238 -5.093 1.00 0.00 C ATOM 1094 O SER A 70 6.985 5.513 -5.691 1.00 0.00 O ATOM 1095 CB SER A 70 9.491 5.007 -3.745 1.00 0.00 C ATOM 1096 OG SER A 70 10.547 5.660 -4.429 1.00 0.00 O ATOM 0 H SER A 70 7.282 4.210 -2.884 1.00 0.00 H new ATOM 0 HA SER A 70 8.492 6.819 -3.162 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.811 4.751 -2.735 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.250 4.071 -4.250 1.00 0.00 H new ATOM 0 HG SER A 70 11.332 5.074 -4.455 1.00 0.00 H new ATOM 1102 N PHE A 71 8.283 7.349 -5.620 1.00 0.00 N ATOM 1103 CA PHE A 71 7.919 7.793 -6.960 1.00 0.00 C ATOM 1104 C PHE A 71 9.164 8.091 -7.791 1.00 0.00 C ATOM 1105 O PHE A 71 10.243 8.331 -7.248 1.00 0.00 O ATOM 1106 CB PHE A 71 7.031 9.036 -6.886 1.00 0.00 C ATOM 1107 CG PHE A 71 5.637 8.750 -6.406 1.00 0.00 C ATOM 1108 CD1 PHE A 71 5.386 8.523 -5.063 1.00 0.00 C ATOM 1109 CD2 PHE A 71 4.578 8.708 -7.299 1.00 0.00 C ATOM 1110 CE1 PHE A 71 4.104 8.258 -4.619 1.00 0.00 C ATOM 1111 CE2 PHE A 71 3.294 8.445 -6.861 1.00 0.00 C ATOM 1112 CZ PHE A 71 3.057 8.220 -5.519 1.00 0.00 C ATOM 0 H PHE A 71 8.944 7.959 -5.139 1.00 0.00 H new ATOM 0 HA PHE A 71 7.365 6.989 -7.444 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.494 9.764 -6.220 1.00 0.00 H new ATOM 0 HB3 PHE A 71 6.980 9.495 -7.873 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.201 8.553 -4.355 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.758 8.883 -8.349 1.00 0.00 H new ATOM 0 HE1 PHE A 71 3.921 8.081 -3.569 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.477 8.415 -7.567 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.054 8.015 -5.174 1.00 0.00 H new ATOM 1122 N ARG A 72 9.006 8.074 -9.110 1.00 0.00 N ATOM 1123 CA ARG A 72 10.117 8.341 -10.016 1.00 0.00 C ATOM 1124 C ARG A 72 10.268 9.839 -10.264 1.00 0.00 C ATOM 1125 O ARG A 72 11.332 10.413 -10.029 1.00 0.00 O ATOM 1126 CB ARG A 72 9.906 7.613 -11.345 1.00 0.00 C ATOM 1127 CG ARG A 72 10.984 7.902 -12.376 1.00 0.00 C ATOM 1128 CD ARG A 72 12.371 7.599 -11.831 1.00 0.00 C ATOM 1129 NE ARG A 72 12.950 8.748 -11.138 1.00 0.00 N ATOM 1130 CZ ARG A 72 13.417 9.823 -11.763 1.00 0.00 C ATOM 1131 NH1 ARG A 72 13.374 9.897 -13.086 1.00 0.00 N ATOM 1132 NH2 ARG A 72 13.929 10.828 -11.063 1.00 0.00 N ATOM 0 H ARG A 72 8.120 7.878 -9.575 1.00 0.00 H new ATOM 0 HA ARG A 72 11.030 7.973 -9.549 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.871 6.539 -11.160 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.937 7.897 -11.755 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.804 7.304 -13.269 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.930 8.948 -12.677 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.314 6.753 -11.146 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.026 7.302 -12.650 1.00 0.00 H new ATOM 0 HE ARG A 72 12.998 8.723 -10.119 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.981 9.127 -13.627 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.734 10.724 -13.562 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.964 10.775 -10.045 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.288 11.653 -11.543 1.00 0.00 H new ATOM 1146 N ASP A 73 9.198 10.466 -10.740 1.00 0.00 N ATOM 1147 CA ASP A 73 9.211 11.897 -11.020 1.00 0.00 C ATOM 1148 C ASP A 73 8.693 12.689 -9.823 1.00 0.00 C ATOM 1149 O ASP A 73 7.747 12.287 -9.144 1.00 0.00 O ATOM 1150 CB ASP A 73 8.365 12.205 -12.256 1.00 0.00 C ATOM 1151 CG ASP A 73 9.023 11.734 -13.539 1.00 0.00 C ATOM 1152 OD1 ASP A 73 9.845 10.797 -13.475 1.00 0.00 O ATOM 1153 OD2 ASP A 73 8.715 12.304 -14.607 1.00 0.00 O ATOM 0 H ASP A 73 8.310 10.005 -10.940 1.00 0.00 H new ATOM 0 HA ASP A 73 10.242 12.195 -11.212 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.390 11.727 -12.154 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.189 13.279 -12.314 1.00 0.00 H new ATOM 1158 N PRO A 74 9.325 13.842 -9.557 1.00 0.00 N ATOM 1159 CA PRO A 74 8.945 14.714 -8.442 1.00 0.00 C ATOM 1160 C PRO A 74 7.599 15.392 -8.669 1.00 0.00 C ATOM 1161 O PRO A 74 6.877 15.692 -7.719 1.00 0.00 O ATOM 1162 CB PRO A 74 10.068 15.753 -8.406 1.00 0.00 C ATOM 1163 CG PRO A 74 10.601 15.783 -9.797 1.00 0.00 C ATOM 1164 CD PRO A 74 10.460 14.382 -10.325 1.00 0.00 C ATOM 0 HA PRO A 74 8.830 14.159 -7.511 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.693 16.731 -8.105 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.842 15.474 -7.691 1.00 0.00 H new ATOM 0 HG2 PRO A 74 10.045 16.490 -10.413 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.643 16.101 -9.809 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.260 14.374 -11.397 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.367 13.799 -10.166 1.00 0.00 H new ATOM 1172 N GLU A 75 7.267 15.629 -9.934 1.00 0.00 N ATOM 1173 CA GLU A 75 6.006 16.273 -10.285 1.00 0.00 C ATOM 1174 C GLU A 75 4.819 15.409 -9.865 1.00 0.00 C ATOM 1175 O GLU A 75 3.897 15.885 -9.203 1.00 0.00 O ATOM 1176 CB GLU A 75 5.946 16.543 -11.790 1.00 0.00 C ATOM 1177 CG GLU A 75 7.062 17.445 -12.290 1.00 0.00 C ATOM 1178 CD GLU A 75 6.956 17.735 -13.775 1.00 0.00 C ATOM 1179 OE1 GLU A 75 5.866 18.149 -14.221 1.00 0.00 O ATOM 1180 OE2 GLU A 75 7.962 17.547 -14.490 1.00 0.00 O ATOM 0 H GLU A 75 7.853 15.385 -10.732 1.00 0.00 H new ATOM 0 HA GLU A 75 5.951 17.222 -9.751 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.991 15.593 -12.323 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.986 16.999 -12.031 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.040 18.384 -11.738 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.024 16.976 -12.083 1.00 0.00 H new ATOM 1187 N GLU A 76 4.852 14.139 -10.255 1.00 0.00 N ATOM 1188 CA GLU A 76 3.779 13.210 -9.921 1.00 0.00 C ATOM 1189 C GLU A 76 3.519 13.198 -8.417 1.00 0.00 C ATOM 1190 O GLU A 76 2.458 13.620 -7.956 1.00 0.00 O ATOM 1191 CB GLU A 76 4.127 11.800 -10.400 1.00 0.00 C ATOM 1192 CG GLU A 76 3.791 11.553 -11.861 1.00 0.00 C ATOM 1193 CD GLU A 76 4.931 11.920 -12.792 1.00 0.00 C ATOM 1194 OE1 GLU A 76 5.197 13.129 -12.957 1.00 0.00 O ATOM 1195 OE2 GLU A 76 5.557 10.997 -13.354 1.00 0.00 O ATOM 0 H GLU A 76 5.609 13.730 -10.802 1.00 0.00 H new ATOM 0 HA GLU A 76 2.873 13.544 -10.427 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.192 11.626 -10.246 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.594 11.075 -9.786 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.538 10.502 -11.999 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.907 12.131 -12.129 1.00 0.00 H new ATOM 1202 N ALA A 77 4.495 12.712 -7.657 1.00 0.00 N ATOM 1203 CA ALA A 77 4.373 12.646 -6.206 1.00 0.00 C ATOM 1204 C ALA A 77 3.770 13.930 -5.647 1.00 0.00 C ATOM 1205 O ALA A 77 2.682 13.918 -5.072 1.00 0.00 O ATOM 1206 CB ALA A 77 5.731 12.379 -5.574 1.00 0.00 C ATOM 0 H ALA A 77 5.379 12.358 -8.022 1.00 0.00 H new ATOM 0 HA ALA A 77 3.702 11.823 -5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.625 12.332 -4.490 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.123 11.431 -5.942 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.419 13.183 -5.837 1.00 0.00 H new ATOM 1212 N ASP A 78 4.485 15.037 -5.819 1.00 0.00 N ATOM 1213 CA ASP A 78 4.020 16.331 -5.332 1.00 0.00 C ATOM 1214 C ASP A 78 2.537 16.524 -5.634 1.00 0.00 C ATOM 1215 O ASP A 78 1.833 17.229 -4.911 1.00 0.00 O ATOM 1216 CB ASP A 78 4.834 17.461 -5.964 1.00 0.00 C ATOM 1217 CG ASP A 78 4.586 18.798 -5.294 1.00 0.00 C ATOM 1218 OD1 ASP A 78 3.413 19.224 -5.235 1.00 0.00 O ATOM 1219 OD2 ASP A 78 5.564 19.418 -4.829 1.00 0.00 O ATOM 0 H ASP A 78 5.388 15.064 -6.292 1.00 0.00 H new ATOM 0 HA ASP A 78 4.158 16.356 -4.251 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.895 17.219 -5.903 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.585 17.536 -7.022 1.00 0.00 H new ATOM 1224 N TYR A 79 2.070 15.895 -6.706 1.00 0.00 N ATOM 1225 CA TYR A 79 0.672 16.001 -7.106 1.00 0.00 C ATOM 1226 C TYR A 79 -0.148 14.852 -6.528 1.00 0.00 C ATOM 1227 O TYR A 79 -1.361 14.969 -6.348 1.00 0.00 O ATOM 1228 CB TYR A 79 0.555 16.009 -8.631 1.00 0.00 C ATOM 1229 CG TYR A 79 -0.872 16.007 -9.129 1.00 0.00 C ATOM 1230 CD1 TYR A 79 -1.895 16.559 -8.368 1.00 0.00 C ATOM 1231 CD2 TYR A 79 -1.199 15.452 -10.360 1.00 0.00 C ATOM 1232 CE1 TYR A 79 -3.201 16.558 -8.818 1.00 0.00 C ATOM 1233 CE2 TYR A 79 -2.502 15.448 -10.819 1.00 0.00 C ATOM 1234 CZ TYR A 79 -3.499 16.002 -10.045 1.00 0.00 C ATOM 1235 OH TYR A 79 -4.799 15.999 -10.498 1.00 0.00 O ATOM 0 H TYR A 79 2.639 15.306 -7.314 1.00 0.00 H new ATOM 0 HA TYR A 79 0.278 16.938 -6.713 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.066 16.889 -9.021 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.072 15.137 -9.031 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.665 16.997 -7.408 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.421 15.016 -10.969 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -3.984 16.990 -8.213 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.738 15.013 -11.779 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.837 15.571 -11.379 1.00 0.00 H new ATOM 1245 N CYS A 80 0.522 13.742 -6.240 1.00 0.00 N ATOM 1246 CA CYS A 80 -0.144 12.570 -5.682 1.00 0.00 C ATOM 1247 C CYS A 80 -0.404 12.751 -4.190 1.00 0.00 C ATOM 1248 O CYS A 80 -1.270 12.089 -3.616 1.00 0.00 O ATOM 1249 CB CYS A 80 0.703 11.318 -5.916 1.00 0.00 C ATOM 1250 SG CYS A 80 1.231 11.094 -7.631 1.00 0.00 S ATOM 0 H CYS A 80 1.525 13.629 -6.383 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.103 12.452 -6.187 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.586 11.365 -5.278 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.132 10.443 -5.606 1.00 0.00 H new ATOM 0 HG CYS A 80 0.310 10.454 -8.289 1.00 0.00 H new ATOM 1256 N ILE A 81 0.352 13.649 -3.568 1.00 0.00 N ATOM 1257 CA ILE A 81 0.204 13.916 -2.142 1.00 0.00 C ATOM 1258 C ILE A 81 -1.023 14.781 -1.870 1.00 0.00 C ATOM 1259 O ILE A 81 -1.589 14.745 -0.778 1.00 0.00 O ATOM 1260 CB ILE A 81 1.449 14.615 -1.568 1.00 0.00 C ATOM 1261 CG1 ILE A 81 1.387 16.120 -1.840 1.00 0.00 C ATOM 1262 CG2 ILE A 81 2.715 14.016 -2.162 1.00 0.00 C ATOM 1263 CD1 ILE A 81 0.634 16.895 -0.782 1.00 0.00 C ATOM 0 H ILE A 81 1.073 14.204 -4.029 1.00 0.00 H new ATOM 0 HA ILE A 81 0.082 12.951 -1.651 1.00 0.00 H new ATOM 0 HB ILE A 81 1.469 14.460 -0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.402 16.510 -1.911 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.913 16.287 -2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.587 14.521 -1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.762 12.954 -1.922 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.704 14.143 -3.245 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.631 17.954 -1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.392 16.532 -0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.120 16.759 0.184 1.00 0.00 H new ATOM 1275 N GLN A 82 -1.428 15.555 -2.871 1.00 0.00 N ATOM 1276 CA GLN A 82 -2.588 16.428 -2.740 1.00 0.00 C ATOM 1277 C GLN A 82 -3.861 15.713 -3.181 1.00 0.00 C ATOM 1278 O GLN A 82 -4.964 16.078 -2.774 1.00 0.00 O ATOM 1279 CB GLN A 82 -2.391 17.701 -3.566 1.00 0.00 C ATOM 1280 CG GLN A 82 -1.781 17.449 -4.935 1.00 0.00 C ATOM 1281 CD GLN A 82 -1.732 18.699 -5.791 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -2.660 18.984 -6.548 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -0.645 19.453 -5.676 1.00 0.00 N ATOM 0 H GLN A 82 -0.970 15.595 -3.782 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.691 16.698 -1.689 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.354 18.195 -3.692 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.750 18.388 -3.013 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.771 17.058 -4.812 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.359 16.682 -5.451 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.100 19.179 -5.036 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.555 20.306 -6.228 1.00 0.00 H new ATOM 1292 N THR A 83 -3.700 14.691 -4.016 1.00 0.00 N ATOM 1293 CA THR A 83 -4.836 13.925 -4.513 1.00 0.00 C ATOM 1294 C THR A 83 -5.069 12.677 -3.670 1.00 0.00 C ATOM 1295 O THR A 83 -6.175 12.136 -3.635 1.00 0.00 O ATOM 1296 CB THR A 83 -4.632 13.508 -5.982 1.00 0.00 C ATOM 1297 OG1 THR A 83 -4.845 14.632 -6.844 1.00 0.00 O ATOM 1298 CG2 THR A 83 -5.583 12.383 -6.362 1.00 0.00 C ATOM 0 H THR A 83 -2.794 14.375 -4.362 1.00 0.00 H new ATOM 0 HA THR A 83 -5.709 14.574 -4.445 1.00 0.00 H new ATOM 0 HB THR A 83 -3.608 13.151 -6.097 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.000 14.880 -7.274 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.421 12.105 -7.403 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.398 11.519 -5.723 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.612 12.717 -6.232 1.00 0.00 H new ATOM 1306 N LEU A 84 -4.021 12.223 -2.992 1.00 0.00 N ATOM 1307 CA LEU A 84 -4.111 11.037 -2.147 1.00 0.00 C ATOM 1308 C LEU A 84 -4.400 11.420 -0.699 1.00 0.00 C ATOM 1309 O LEU A 84 -4.781 10.577 0.113 1.00 0.00 O ATOM 1310 CB LEU A 84 -2.814 10.231 -2.224 1.00 0.00 C ATOM 1311 CG LEU A 84 -2.473 9.636 -3.591 1.00 0.00 C ATOM 1312 CD1 LEU A 84 -1.068 9.055 -3.585 1.00 0.00 C ATOM 1313 CD2 LEU A 84 -3.490 8.573 -3.979 1.00 0.00 C ATOM 0 H LEU A 84 -3.099 12.658 -3.011 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.934 10.423 -2.512 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.991 10.875 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.872 9.418 -1.500 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.511 10.434 -4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.843 8.636 -4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.350 9.842 -3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.002 8.270 -2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.231 8.161 -4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.485 7.776 -3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.483 9.020 -4.026 1.00 0.00 H new ATOM 1325 N ASP A 85 -4.219 12.698 -0.384 1.00 0.00 N ATOM 1326 CA ASP A 85 -4.463 13.194 0.965 1.00 0.00 C ATOM 1327 C ASP A 85 -5.935 13.055 1.338 1.00 0.00 C ATOM 1328 O ASP A 85 -6.322 13.289 2.482 1.00 0.00 O ATOM 1329 CB ASP A 85 -4.031 14.657 1.079 1.00 0.00 C ATOM 1330 CG ASP A 85 -4.709 15.543 0.052 1.00 0.00 C ATOM 1331 OD1 ASP A 85 -5.669 15.073 -0.595 1.00 0.00 O ATOM 1332 OD2 ASP A 85 -4.280 16.705 -0.105 1.00 0.00 O ATOM 0 H ASP A 85 -3.904 13.409 -1.044 1.00 0.00 H new ATOM 0 HA ASP A 85 -3.874 12.594 1.658 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.261 15.024 2.079 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.950 14.724 0.956 1.00 0.00 H new ATOM 1337 N GLY A 86 -6.754 12.674 0.362 1.00 0.00 N ATOM 1338 CA GLY A 86 -8.175 12.511 0.606 1.00 0.00 C ATOM 1339 C GLY A 86 -8.655 11.101 0.324 1.00 0.00 C ATOM 1340 O GLY A 86 -9.840 10.801 0.467 1.00 0.00 O ATOM 0 H GLY A 86 -6.458 12.475 -0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.394 12.765 1.643 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.730 13.212 -0.018 1.00 0.00 H new ATOM 1344 N ARG A 87 -7.732 10.234 -0.080 1.00 0.00 N ATOM 1345 CA ARG A 87 -8.068 8.849 -0.387 1.00 0.00 C ATOM 1346 C ARG A 87 -8.742 8.176 0.806 1.00 0.00 C ATOM 1347 O ARG A 87 -8.687 8.680 1.928 1.00 0.00 O ATOM 1348 CB ARG A 87 -6.810 8.072 -0.780 1.00 0.00 C ATOM 1349 CG ARG A 87 -6.341 8.350 -2.198 1.00 0.00 C ATOM 1350 CD ARG A 87 -6.970 7.387 -3.192 1.00 0.00 C ATOM 1351 NE ARG A 87 -8.306 7.815 -3.599 1.00 0.00 N ATOM 1352 CZ ARG A 87 -9.152 7.044 -4.272 1.00 0.00 C ATOM 1353 NH1 ARG A 87 -8.803 5.811 -4.613 1.00 0.00 N ATOM 1354 NH2 ARG A 87 -10.351 7.505 -4.605 1.00 0.00 N ATOM 0 H ARG A 87 -6.746 10.466 -0.202 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.765 8.848 -1.225 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.008 8.321 -0.086 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.004 7.005 -0.673 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.594 9.374 -2.472 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.255 8.267 -2.246 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.332 7.306 -4.072 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.027 6.393 -2.747 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.606 8.758 -3.353 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.883 5.453 -4.358 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.455 5.221 -5.130 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.624 8.453 -4.344 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.000 6.912 -5.122 1.00 0.00 H new ATOM 1368 N TRP A 88 -9.378 7.038 0.554 1.00 0.00 N ATOM 1369 CA TRP A 88 -10.064 6.297 1.607 1.00 0.00 C ATOM 1370 C TRP A 88 -9.617 4.839 1.626 1.00 0.00 C ATOM 1371 O TRP A 88 -9.687 4.145 0.612 1.00 0.00 O ATOM 1372 CB TRP A 88 -11.578 6.376 1.411 1.00 0.00 C ATOM 1373 CG TRP A 88 -12.142 7.738 1.686 1.00 0.00 C ATOM 1374 CD1 TRP A 88 -12.051 8.840 0.885 1.00 0.00 C ATOM 1375 CD2 TRP A 88 -12.883 8.141 2.844 1.00 0.00 C ATOM 1376 NE1 TRP A 88 -12.690 9.904 1.475 1.00 0.00 N ATOM 1377 CE2 TRP A 88 -13.209 9.501 2.677 1.00 0.00 C ATOM 1378 CE3 TRP A 88 -13.303 7.485 4.004 1.00 0.00 C ATOM 1379 CZ2 TRP A 88 -13.935 10.214 3.627 1.00 0.00 C ATOM 1380 CZ3 TRP A 88 -14.023 8.194 4.946 1.00 0.00 C ATOM 1381 CH2 TRP A 88 -14.334 9.547 4.753 1.00 0.00 C ATOM 0 H TRP A 88 -9.433 6.608 -0.369 1.00 0.00 H new ATOM 0 HA TRP A 88 -9.805 6.750 2.564 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -11.820 6.090 0.387 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -12.061 5.651 2.067 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.550 8.871 -0.072 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -12.766 10.842 1.082 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -13.069 6.442 4.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -14.175 11.257 3.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -14.352 7.697 5.847 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -14.900 10.073 5.508 1.00 0.00 H new ATOM 1392 N PHE A 89 -9.158 4.381 2.786 1.00 0.00 N ATOM 1393 CA PHE A 89 -8.699 3.005 2.937 1.00 0.00 C ATOM 1394 C PHE A 89 -9.416 2.316 4.094 1.00 0.00 C ATOM 1395 O PHE A 89 -9.642 2.916 5.144 1.00 0.00 O ATOM 1396 CB PHE A 89 -7.186 2.972 3.166 1.00 0.00 C ATOM 1397 CG PHE A 89 -6.386 3.050 1.898 1.00 0.00 C ATOM 1398 CD1 PHE A 89 -6.576 4.094 1.006 1.00 0.00 C ATOM 1399 CD2 PHE A 89 -5.443 2.081 1.597 1.00 0.00 C ATOM 1400 CE1 PHE A 89 -5.841 4.168 -0.162 1.00 0.00 C ATOM 1401 CE2 PHE A 89 -4.704 2.150 0.431 1.00 0.00 C ATOM 1402 CZ PHE A 89 -4.903 3.195 -0.449 1.00 0.00 C ATOM 0 H PHE A 89 -9.094 4.942 3.635 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.932 2.468 2.018 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.907 3.803 3.814 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.926 2.054 3.694 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.307 4.858 1.226 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.283 1.261 2.282 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.000 4.986 -0.850 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.972 1.388 0.209 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.326 3.252 -1.360 1.00 0.00 H new ATOM 1412 N GLY A 90 -9.772 1.051 3.893 1.00 0.00 N ATOM 1413 CA GLY A 90 -10.460 0.300 4.927 1.00 0.00 C ATOM 1414 C GLY A 90 -11.800 0.908 5.290 1.00 0.00 C ATOM 1415 O GLY A 90 -12.456 0.465 6.232 1.00 0.00 O ATOM 0 H GLY A 90 -9.596 0.533 3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.609 -0.725 4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.832 0.254 5.817 1.00 0.00 H new ATOM 1419 N GLY A 91 -12.207 1.929 4.542 1.00 0.00 N ATOM 1420 CA GLY A 91 -13.475 2.584 4.807 1.00 0.00 C ATOM 1421 C GLY A 91 -13.300 3.991 5.341 1.00 0.00 C ATOM 1422 O GLY A 91 -14.229 4.799 5.298 1.00 0.00 O ATOM 0 H GLY A 91 -11.681 2.314 3.757 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.062 2.617 3.889 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -14.042 1.993 5.527 1.00 0.00 H new ATOM 1426 N ARG A 92 -12.107 4.287 5.847 1.00 0.00 N ATOM 1427 CA ARG A 92 -11.815 5.606 6.394 1.00 0.00 C ATOM 1428 C ARG A 92 -10.940 6.410 5.437 1.00 0.00 C ATOM 1429 O ARG A 92 -10.406 5.871 4.468 1.00 0.00 O ATOM 1430 CB ARG A 92 -11.119 5.476 7.750 1.00 0.00 C ATOM 1431 CG ARG A 92 -11.835 4.546 8.716 1.00 0.00 C ATOM 1432 CD ARG A 92 -13.063 5.208 9.320 1.00 0.00 C ATOM 1433 NE ARG A 92 -13.364 4.691 10.653 1.00 0.00 N ATOM 1434 CZ ARG A 92 -14.404 5.089 11.377 1.00 0.00 C ATOM 1435 NH1 ARG A 92 -15.239 6.001 10.900 1.00 0.00 N ATOM 1436 NH2 ARG A 92 -14.610 4.572 12.582 1.00 0.00 N ATOM 0 H ARG A 92 -11.327 3.631 5.889 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.759 6.134 6.526 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.103 5.112 7.594 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -11.038 6.464 8.203 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.131 3.636 8.195 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.151 4.250 9.512 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.904 6.285 9.376 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.920 5.046 8.666 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.742 3.986 11.049 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -15.084 6.400 9.974 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -16.037 6.304 11.459 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.970 3.869 12.952 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.409 4.877 13.138 1.00 0.00 H new ATOM 1450 N GLN A 93 -10.801 7.702 5.715 1.00 0.00 N ATOM 1451 CA GLN A 93 -9.992 8.581 4.877 1.00 0.00 C ATOM 1452 C GLN A 93 -8.528 8.540 5.300 1.00 0.00 C ATOM 1453 O GLN A 93 -8.210 8.192 6.438 1.00 0.00 O ATOM 1454 CB GLN A 93 -10.517 10.016 4.951 1.00 0.00 C ATOM 1455 CG GLN A 93 -10.284 10.815 3.679 1.00 0.00 C ATOM 1456 CD GLN A 93 -10.373 12.311 3.906 1.00 0.00 C ATOM 1457 OE1 GLN A 93 -10.476 12.774 5.042 1.00 0.00 O ATOM 1458 NE2 GLN A 93 -10.333 13.078 2.822 1.00 0.00 N ATOM 0 H GLN A 93 -11.237 8.164 6.513 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.064 8.228 3.848 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.586 9.993 5.165 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.036 10.528 5.785 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.301 10.570 3.275 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.019 10.521 2.930 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -10.247 12.652 1.899 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.388 14.092 2.913 1.00 0.00 H new ATOM 1467 N ILE A 94 -7.640 8.896 4.378 1.00 0.00 N ATOM 1468 CA ILE A 94 -6.210 8.900 4.656 1.00 0.00 C ATOM 1469 C ILE A 94 -5.554 10.179 4.145 1.00 0.00 C ATOM 1470 O ILE A 94 -6.003 10.771 3.163 1.00 0.00 O ATOM 1471 CB ILE A 94 -5.508 7.687 4.017 1.00 0.00 C ATOM 1472 CG1 ILE A 94 -5.327 7.908 2.514 1.00 0.00 C ATOM 1473 CG2 ILE A 94 -6.304 6.417 4.280 1.00 0.00 C ATOM 1474 CD1 ILE A 94 -4.779 6.700 1.788 1.00 0.00 C ATOM 0 H ILE A 94 -7.886 9.186 3.431 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.100 8.845 5.739 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.522 7.575 4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.288 8.180 2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.655 8.752 2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.796 5.568 3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.386 6.255 5.355 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.301 6.517 3.851 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.677 6.929 0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.803 6.440 2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.461 5.859 1.914 1.00 0.00 H new ATOM 1486 N THR A 95 -4.487 10.600 4.818 1.00 0.00 N ATOM 1487 CA THR A 95 -3.769 11.808 4.432 1.00 0.00 C ATOM 1488 C THR A 95 -2.442 11.468 3.762 1.00 0.00 C ATOM 1489 O THR A 95 -1.867 10.408 4.005 1.00 0.00 O ATOM 1490 CB THR A 95 -3.499 12.713 5.649 1.00 0.00 C ATOM 1491 OG1 THR A 95 -3.064 14.006 5.211 1.00 0.00 O ATOM 1492 CG2 THR A 95 -2.445 12.099 6.557 1.00 0.00 C ATOM 0 H THR A 95 -4.102 10.122 5.633 1.00 0.00 H new ATOM 0 HA THR A 95 -4.404 12.342 3.725 1.00 0.00 H new ATOM 0 HB THR A 95 -4.427 12.813 6.212 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.896 14.576 5.990 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.271 12.756 7.409 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.791 11.128 6.912 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.516 11.972 6.002 1.00 0.00 H new ATOM 1500 N ALA A 96 -1.962 12.375 2.918 1.00 0.00 N ATOM 1501 CA ALA A 96 -0.702 12.173 2.214 1.00 0.00 C ATOM 1502 C ALA A 96 0.231 13.364 2.404 1.00 0.00 C ATOM 1503 O ALA A 96 -0.221 14.492 2.596 1.00 0.00 O ATOM 1504 CB ALA A 96 -0.956 11.930 0.734 1.00 0.00 C ATOM 0 H ALA A 96 -2.427 13.257 2.705 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.216 11.294 2.637 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -0.006 11.781 0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.577 11.043 0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -1.468 12.792 0.306 1.00 0.00 H new ATOM 1510 N GLN A 97 1.533 13.105 2.349 1.00 0.00 N ATOM 1511 CA GLN A 97 2.529 14.157 2.516 1.00 0.00 C ATOM 1512 C GLN A 97 3.897 13.695 2.027 1.00 0.00 C ATOM 1513 O GLN A 97 4.155 12.497 1.916 1.00 0.00 O ATOM 1514 CB GLN A 97 2.615 14.578 3.984 1.00 0.00 C ATOM 1515 CG GLN A 97 2.679 13.407 4.951 1.00 0.00 C ATOM 1516 CD GLN A 97 1.308 12.968 5.428 1.00 0.00 C ATOM 1517 OE1 GLN A 97 0.671 12.085 4.667 1.00 0.00 O flip ATOM 1518 NE2 GLN A 97 0.827 13.418 6.468 1.00 0.00 N flip ATOM 0 H GLN A 97 1.923 12.176 2.190 1.00 0.00 H new ATOM 0 HA GLN A 97 2.220 15.013 1.917 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.498 15.202 4.123 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.749 15.193 4.228 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.177 12.567 4.466 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.287 13.684 5.812 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.352 14.095 7.022 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.097 13.114 6.776 1.00 0.00 H new ATOM 1527 N ALA A 98 4.770 14.654 1.735 1.00 0.00 N ATOM 1528 CA ALA A 98 6.113 14.345 1.259 1.00 0.00 C ATOM 1529 C ALA A 98 7.065 14.097 2.424 1.00 0.00 C ATOM 1530 O ALA A 98 7.166 14.914 3.340 1.00 0.00 O ATOM 1531 CB ALA A 98 6.633 15.472 0.379 1.00 0.00 C ATOM 0 H ALA A 98 4.571 15.651 1.820 1.00 0.00 H new ATOM 0 HA ALA A 98 6.061 13.431 0.667 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.637 15.228 0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.972 15.599 -0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.663 16.398 0.954 1.00 0.00 H new ATOM 1537 N TRP A 99 7.761 12.967 2.383 1.00 0.00 N ATOM 1538 CA TRP A 99 8.705 12.612 3.437 1.00 0.00 C ATOM 1539 C TRP A 99 10.055 13.284 3.207 1.00 0.00 C ATOM 1540 O TRP A 99 10.348 13.749 2.105 1.00 0.00 O ATOM 1541 CB TRP A 99 8.882 11.095 3.502 1.00 0.00 C ATOM 1542 CG TRP A 99 9.764 10.647 4.628 1.00 0.00 C ATOM 1543 CD1 TRP A 99 9.682 11.031 5.936 1.00 0.00 C ATOM 1544 CD2 TRP A 99 10.863 9.733 4.545 1.00 0.00 C ATOM 1545 NE1 TRP A 99 10.663 10.410 6.671 1.00 0.00 N ATOM 1546 CE2 TRP A 99 11.400 9.608 5.841 1.00 0.00 C ATOM 1547 CE3 TRP A 99 11.444 9.006 3.502 1.00 0.00 C ATOM 1548 CZ2 TRP A 99 12.490 8.787 6.118 1.00 0.00 C ATOM 1549 CZ3 TRP A 99 12.525 8.192 3.779 1.00 0.00 C ATOM 1550 CH2 TRP A 99 13.039 8.087 5.079 1.00 0.00 C ATOM 0 H TRP A 99 7.690 12.281 1.632 1.00 0.00 H new ATOM 0 HA TRP A 99 8.301 12.964 4.386 1.00 0.00 H new ATOM 0 HB2 TRP A 99 7.904 10.627 3.608 1.00 0.00 H new ATOM 0 HB3 TRP A 99 9.302 10.745 2.559 1.00 0.00 H new ATOM 0 HD1 TRP A 99 8.953 11.721 6.334 1.00 0.00 H new ATOM 0 HE1 TRP A 99 10.817 10.527 7.672 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.055 9.079 2.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 12.888 8.706 7.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 12.982 7.627 2.980 1.00 0.00 H new ATOM 0 HH2 TRP A 99 13.885 7.441 5.264 1.00 0.00 H new ATOM 1561 N ASP A 100 10.872 13.332 4.253 1.00 0.00 N ATOM 1562 CA ASP A 100 12.192 13.947 4.165 1.00 0.00 C ATOM 1563 C ASP A 100 13.287 12.927 4.463 1.00 0.00 C ATOM 1564 O ASP A 100 13.990 12.475 3.561 1.00 0.00 O ATOM 1565 CB ASP A 100 12.296 15.124 5.136 1.00 0.00 C ATOM 1566 CG ASP A 100 11.427 14.940 6.364 1.00 0.00 C ATOM 1567 OD1 ASP A 100 11.065 13.784 6.668 1.00 0.00 O ATOM 1568 OD2 ASP A 100 11.109 15.952 7.023 1.00 0.00 O ATOM 0 H ASP A 100 10.644 12.953 5.172 1.00 0.00 H new ATOM 0 HA ASP A 100 12.328 14.313 3.147 1.00 0.00 H new ATOM 0 HB2 ASP A 100 13.334 15.246 5.444 1.00 0.00 H new ATOM 0 HB3 ASP A 100 12.006 16.041 4.623 1.00 0.00 H new ATOM 1573 N GLY A 101 13.426 12.571 5.736 1.00 0.00 N ATOM 1574 CA GLY A 101 14.438 11.608 6.131 1.00 0.00 C ATOM 1575 C GLY A 101 14.730 11.651 7.617 1.00 0.00 C ATOM 1576 O GLY A 101 15.873 11.471 8.039 1.00 0.00 O ATOM 0 H GLY A 101 12.856 12.932 6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.108 10.606 5.858 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.357 11.803 5.578 1.00 0.00 H new ATOM 1580 N THR A 102 13.695 11.892 8.416 1.00 0.00 N ATOM 1581 CA THR A 102 13.847 11.961 9.864 1.00 0.00 C ATOM 1582 C THR A 102 13.136 10.798 10.547 1.00 0.00 C ATOM 1583 O THR A 102 13.628 10.249 11.534 1.00 0.00 O ATOM 1584 CB THR A 102 13.295 13.285 10.424 1.00 0.00 C ATOM 1585 OG1 THR A 102 13.003 13.144 11.819 1.00 0.00 O ATOM 1586 CG2 THR A 102 12.038 13.706 9.678 1.00 0.00 C ATOM 0 H THR A 102 12.742 12.043 8.084 1.00 0.00 H new ATOM 0 HA THR A 102 14.915 11.904 10.073 1.00 0.00 H new ATOM 0 HB THR A 102 14.054 14.055 10.288 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.654 13.991 12.167 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.666 14.644 10.091 1.00 0.00 H new ATOM 0 HG22 THR A 102 12.270 13.842 8.622 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.275 12.935 9.786 1.00 0.00 H new ATOM 1594 N THR A 103 11.976 10.425 10.016 1.00 0.00 N ATOM 1595 CA THR A 103 11.197 9.327 10.575 1.00 0.00 C ATOM 1596 C THR A 103 12.017 8.043 10.628 1.00 0.00 C ATOM 1597 O THR A 103 12.892 7.819 9.791 1.00 0.00 O ATOM 1598 CB THR A 103 9.917 9.073 9.757 1.00 0.00 C ATOM 1599 OG1 THR A 103 8.922 8.459 10.583 1.00 0.00 O ATOM 1600 CG2 THR A 103 10.209 8.182 8.559 1.00 0.00 C ATOM 0 H THR A 103 11.555 10.867 9.199 1.00 0.00 H new ATOM 0 HA THR A 103 10.919 9.619 11.588 1.00 0.00 H new ATOM 0 HB THR A 103 9.547 10.032 9.395 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.340 7.896 10.031 1.00 0.00 H new ATOM 0 HG21 THR A 103 9.290 8.016 7.996 1.00 0.00 H new ATOM 0 HG22 THR A 103 10.946 8.665 7.917 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.601 7.225 8.904 1.00 0.00 H new ATOM 1608 N ASP A 104 11.728 7.202 11.615 1.00 0.00 N ATOM 1609 CA ASP A 104 12.437 5.938 11.775 1.00 0.00 C ATOM 1610 C ASP A 104 11.529 4.759 11.441 1.00 0.00 C ATOM 1611 O ASP A 104 11.801 3.623 11.830 1.00 0.00 O ATOM 1612 CB ASP A 104 12.965 5.802 13.204 1.00 0.00 C ATOM 1613 CG ASP A 104 14.199 6.648 13.449 1.00 0.00 C ATOM 1614 OD1 ASP A 104 14.931 6.924 12.475 1.00 0.00 O ATOM 1615 OD2 ASP A 104 14.434 7.033 14.614 1.00 0.00 O ATOM 0 H ASP A 104 11.007 7.373 12.316 1.00 0.00 H new ATOM 0 HA ASP A 104 13.279 5.932 11.083 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.184 6.093 13.906 1.00 0.00 H new ATOM 0 HB3 ASP A 104 13.200 4.756 13.403 1.00 0.00 H new ATOM 1620 N TYR A 105 10.450 5.037 10.718 1.00 0.00 N ATOM 1621 CA TYR A 105 9.499 4.000 10.335 1.00 0.00 C ATOM 1622 C TYR A 105 10.225 2.730 9.899 1.00 0.00 C ATOM 1623 O TYR A 105 10.126 1.692 10.553 1.00 0.00 O ATOM 1624 CB TYR A 105 8.597 4.498 9.204 1.00 0.00 C ATOM 1625 CG TYR A 105 7.762 5.700 9.582 1.00 0.00 C ATOM 1626 CD1 TYR A 105 7.203 5.812 10.849 1.00 0.00 C ATOM 1627 CD2 TYR A 105 7.529 6.723 8.671 1.00 0.00 C ATOM 1628 CE1 TYR A 105 6.439 6.908 11.199 1.00 0.00 C ATOM 1629 CE2 TYR A 105 6.767 7.824 9.012 1.00 0.00 C ATOM 1630 CZ TYR A 105 6.224 7.911 10.277 1.00 0.00 C ATOM 1631 OH TYR A 105 5.462 9.005 10.620 1.00 0.00 O ATOM 0 H TYR A 105 10.212 5.971 10.385 1.00 0.00 H new ATOM 0 HA TYR A 105 8.885 3.766 11.205 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.215 4.751 8.342 1.00 0.00 H new ATOM 0 HB3 TYR A 105 7.935 3.689 8.895 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.369 5.028 11.573 1.00 0.00 H new ATOM 0 HD2 TYR A 105 7.951 6.656 7.679 1.00 0.00 H new ATOM 0 HE1 TYR A 105 6.012 6.979 12.189 1.00 0.00 H new ATOM 0 HE2 TYR A 105 6.598 8.612 8.293 1.00 0.00 H new ATOM 0 HH TYR A 105 5.409 9.619 9.858 1.00 0.00 H new ATOM 1641 N GLN A 106 10.954 2.823 8.792 1.00 0.00 N ATOM 1642 CA GLN A 106 11.696 1.682 8.269 1.00 0.00 C ATOM 1643 C GLN A 106 13.165 1.758 8.672 1.00 0.00 C ATOM 1644 O GLN A 106 13.786 0.742 8.984 1.00 0.00 O ATOM 1645 CB GLN A 106 11.575 1.624 6.745 1.00 0.00 C ATOM 1646 CG GLN A 106 12.399 2.681 6.028 1.00 0.00 C ATOM 1647 CD GLN A 106 13.810 2.216 5.725 1.00 0.00 C ATOM 1648 OE1 GLN A 106 14.785 2.848 6.133 1.00 0.00 O ATOM 1649 NE2 GLN A 106 13.926 1.106 5.007 1.00 0.00 N ATOM 0 H GLN A 106 11.047 3.676 8.240 1.00 0.00 H new ATOM 0 HA GLN A 106 11.268 0.775 8.695 1.00 0.00 H new ATOM 0 HB2 GLN A 106 11.887 0.638 6.402 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.528 1.742 6.467 1.00 0.00 H new ATOM 0 HG2 GLN A 106 11.902 2.953 5.097 1.00 0.00 H new ATOM 0 HG3 GLN A 106 12.441 3.581 6.641 1.00 0.00 H new ATOM 0 HE21 GLN A 106 13.091 0.614 4.690 1.00 0.00 H new ATOM 0 HE22 GLN A 106 14.851 0.745 4.773 1.00 0.00 H new ATOM 1658 N SER A 107 13.715 2.968 8.661 1.00 0.00 N ATOM 1659 CA SER A 107 15.113 3.175 9.022 1.00 0.00 C ATOM 1660 C SER A 107 15.471 2.392 10.281 1.00 0.00 C ATOM 1661 O SER A 107 14.620 2.144 11.134 1.00 0.00 O ATOM 1662 CB SER A 107 15.390 4.664 9.237 1.00 0.00 C ATOM 1663 OG SER A 107 16.756 4.889 9.541 1.00 0.00 O ATOM 0 H SER A 107 13.214 3.819 8.406 1.00 0.00 H new ATOM 0 HA SER A 107 15.732 2.812 8.202 1.00 0.00 H new ATOM 0 HB2 SER A 107 15.117 5.221 8.341 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.767 5.040 10.048 1.00 0.00 H new ATOM 0 HG SER A 107 16.908 5.848 9.672 1.00 0.00 H new ATOM 1669 N GLY A 108 16.738 2.005 10.389 1.00 0.00 N ATOM 1670 CA GLY A 108 17.188 1.254 11.547 1.00 0.00 C ATOM 1671 C GLY A 108 18.529 1.736 12.065 1.00 0.00 C ATOM 1672 O GLY A 108 18.611 2.686 12.844 1.00 0.00 O ATOM 0 H GLY A 108 17.461 2.198 9.696 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.445 1.335 12.340 1.00 0.00 H new ATOM 0 HA3 GLY A 108 17.261 0.198 11.286 1.00 0.00 H new ATOM 1676 N PRO A 109 19.610 1.071 11.631 1.00 0.00 N ATOM 1677 CA PRO A 109 20.972 1.419 12.045 1.00 0.00 C ATOM 1678 C PRO A 109 21.434 2.750 11.460 1.00 0.00 C ATOM 1679 O PRO A 109 21.256 3.011 10.270 1.00 0.00 O ATOM 1680 CB PRO A 109 21.816 0.269 11.489 1.00 0.00 C ATOM 1681 CG PRO A 109 21.032 -0.253 10.335 1.00 0.00 C ATOM 1682 CD PRO A 109 19.585 -0.071 10.701 1.00 0.00 C ATOM 0 HA PRO A 109 21.051 1.541 13.125 1.00 0.00 H new ATOM 0 HB2 PRO A 109 22.800 0.616 11.174 1.00 0.00 H new ATOM 0 HB3 PRO A 109 21.976 -0.504 12.241 1.00 0.00 H new ATOM 0 HG2 PRO A 109 21.275 0.289 9.421 1.00 0.00 H new ATOM 0 HG3 PRO A 109 21.259 -1.303 10.152 1.00 0.00 H new ATOM 0 HD2 PRO A 109 18.972 0.138 9.824 1.00 0.00 H new ATOM 0 HD3 PRO A 109 19.174 -0.964 11.172 1.00 0.00 H new ATOM 1690 N SER A 110 22.028 3.588 12.303 1.00 0.00 N ATOM 1691 CA SER A 110 22.512 4.893 11.870 1.00 0.00 C ATOM 1692 C SER A 110 24.001 5.047 12.168 1.00 0.00 C ATOM 1693 O SER A 110 24.782 5.432 11.299 1.00 0.00 O ATOM 1694 CB SER A 110 21.724 6.008 12.561 1.00 0.00 C ATOM 1695 OG SER A 110 22.171 7.285 12.140 1.00 0.00 O ATOM 0 H SER A 110 22.186 3.386 13.290 1.00 0.00 H new ATOM 0 HA SER A 110 22.365 4.968 10.793 1.00 0.00 H new ATOM 0 HB2 SER A 110 20.663 5.899 12.338 1.00 0.00 H new ATOM 0 HB3 SER A 110 21.834 5.919 13.642 1.00 0.00 H new ATOM 0 HG SER A 110 21.651 7.980 12.595 1.00 0.00 H new ATOM 1701 N SER A 111 24.385 4.742 13.404 1.00 0.00 N ATOM 1702 CA SER A 111 25.778 4.849 13.820 1.00 0.00 C ATOM 1703 C SER A 111 26.372 3.470 14.091 1.00 0.00 C ATOM 1704 O SER A 111 25.770 2.647 14.778 1.00 0.00 O ATOM 1705 CB SER A 111 25.893 5.722 15.071 1.00 0.00 C ATOM 1706 OG SER A 111 27.250 5.965 15.400 1.00 0.00 O ATOM 0 H SER A 111 23.750 4.419 14.134 1.00 0.00 H new ATOM 0 HA SER A 111 26.339 5.313 13.009 1.00 0.00 H new ATOM 0 HB2 SER A 111 25.380 6.670 14.905 1.00 0.00 H new ATOM 0 HB3 SER A 111 25.395 5.232 15.907 1.00 0.00 H new ATOM 0 HG SER A 111 27.297 6.526 16.202 1.00 0.00 H new ATOM 1712 N GLY A 112 27.559 3.226 13.545 1.00 0.00 N ATOM 1713 CA GLY A 112 28.216 1.946 13.738 1.00 0.00 C ATOM 1714 C GLY A 112 29.719 2.081 13.877 1.00 0.00 C ATOM 1715 O GLY A 112 30.475 1.534 13.074 1.00 0.00 O ATOM 0 H GLY A 112 28.078 3.892 12.972 1.00 0.00 H new ATOM 0 HA2 GLY A 112 27.814 1.465 14.630 1.00 0.00 H new ATOM 0 HA3 GLY A 112 27.989 1.294 12.894 1.00 0.00 H new TER 1719 GLY A 112