USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 665 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 THR OG1 : rot -108:sc= -0.997 USER MOD Set 1.2: A 70 SER OG : rot 66:sc= 0.922 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= -0.131 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 11 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.38) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -112:sc= -0.474 (180deg=-3.2!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -25:sc= -0.213 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 166:sc= -5.45! (180deg=-7.35!) USER MOD Single : A 36 GLN : amide:sc= -0.422 K(o=-0.42,f=-2.8!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.849 X(o=-0.85,f=-0.37) USER MOD Single : A 42 GLN : amide:sc= -0.081 X(o=-0.081,f=-0.32) USER MOD Single : A 44 SER OG : rot -63:sc= -3.9! USER MOD Single : A 46 CYS SG : rot -33:sc= 0.0313 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : A 54 SER OG : rot -151:sc= -1.43 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 180:sc= -5.77! USER MOD Single : A 63 MET CE :methyl 160:sc= -0.277 (180deg=-0.674) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.537 USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -140:sc= -1.36 (180deg=-3.45!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 106:sc= -1.01 USER MOD Single : A 90 SER OG : rot 21:sc= 0.224 USER MOD Single : A 91 SER OG : rot -66:sc= 0.448 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.890 -20.830 -26.700 1.00 0.00 N ATOM 2 CA GLY A 1 -4.417 -21.134 -25.380 1.00 0.00 C ATOM 3 C GLY A 1 -3.526 -20.547 -24.284 1.00 0.00 C ATOM 4 O GLY A 1 -3.462 -19.330 -24.117 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.513 -21.239 -27.425 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.843 -19.799 -26.826 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.936 -21.234 -26.795 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.426 -20.733 -25.286 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.490 -22.214 -25.254 1.00 0.00 H new ATOM 8 N SER A 2 -2.860 -21.439 -23.566 1.00 0.00 N ATOM 9 CA SER A 2 -1.975 -21.024 -22.491 1.00 0.00 C ATOM 10 C SER A 2 -1.281 -22.244 -21.884 1.00 0.00 C ATOM 11 O SER A 2 -1.779 -23.364 -21.991 1.00 0.00 O ATOM 12 CB SER A 2 -2.741 -20.257 -21.411 1.00 0.00 C ATOM 13 OG SER A 2 -1.866 -19.568 -20.523 1.00 0.00 O ATOM 0 H SER A 2 -2.915 -22.448 -23.708 1.00 0.00 H new ATOM 0 HA SER A 2 -1.222 -20.355 -22.908 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.415 -19.542 -21.883 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.360 -20.952 -20.843 1.00 0.00 H new ATOM 0 HG SER A 2 -2.393 -19.090 -19.850 1.00 0.00 H new ATOM 19 N SER A 3 -0.140 -21.988 -21.260 1.00 0.00 N ATOM 20 CA SER A 3 0.627 -23.052 -20.636 1.00 0.00 C ATOM 21 C SER A 3 0.089 -23.330 -19.231 1.00 0.00 C ATOM 22 O SER A 3 -0.729 -22.571 -18.714 1.00 0.00 O ATOM 23 CB SER A 3 2.114 -22.695 -20.574 1.00 0.00 C ATOM 24 OG SER A 3 2.904 -23.780 -20.095 1.00 0.00 O ATOM 0 H SER A 3 0.271 -21.059 -21.174 1.00 0.00 H new ATOM 0 HA SER A 3 0.522 -23.951 -21.243 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.459 -22.406 -21.567 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.253 -21.831 -19.924 1.00 0.00 H new ATOM 0 HG SER A 3 3.847 -23.513 -20.072 1.00 0.00 H new ATOM 30 N GLY A 4 0.571 -24.421 -18.653 1.00 0.00 N ATOM 31 CA GLY A 4 0.148 -24.809 -17.318 1.00 0.00 C ATOM 32 C GLY A 4 1.309 -24.712 -16.326 1.00 0.00 C ATOM 33 O GLY A 4 1.758 -25.724 -15.790 1.00 0.00 O ATOM 0 H GLY A 4 1.250 -25.048 -19.085 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.670 -24.167 -16.991 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.236 -25.829 -17.336 1.00 0.00 H new ATOM 37 N SER A 5 1.762 -23.485 -16.111 1.00 0.00 N ATOM 38 CA SER A 5 2.862 -23.243 -15.193 1.00 0.00 C ATOM 39 C SER A 5 2.359 -22.485 -13.963 1.00 0.00 C ATOM 40 O SER A 5 1.623 -21.508 -14.089 1.00 0.00 O ATOM 41 CB SER A 5 3.986 -22.462 -15.875 1.00 0.00 C ATOM 42 OG SER A 5 4.836 -23.310 -16.644 1.00 0.00 O ATOM 0 H SER A 5 1.387 -22.648 -16.557 1.00 0.00 H new ATOM 0 HA SER A 5 3.264 -24.206 -14.879 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.555 -21.698 -16.522 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.578 -21.944 -15.120 1.00 0.00 H new ATOM 0 HG SER A 5 5.540 -22.773 -17.065 1.00 0.00 H new ATOM 48 N SER A 6 2.776 -22.965 -12.800 1.00 0.00 N ATOM 49 CA SER A 6 2.377 -22.345 -11.548 1.00 0.00 C ATOM 50 C SER A 6 3.565 -22.299 -10.586 1.00 0.00 C ATOM 51 O SER A 6 4.347 -23.246 -10.512 1.00 0.00 O ATOM 52 CB SER A 6 1.206 -23.095 -10.911 1.00 0.00 C ATOM 53 OG SER A 6 0.736 -22.447 -9.732 1.00 0.00 O ATOM 0 H SER A 6 3.386 -23.776 -12.699 1.00 0.00 H new ATOM 0 HA SER A 6 2.049 -21.327 -11.759 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.391 -23.174 -11.631 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.516 -24.111 -10.667 1.00 0.00 H new ATOM 0 HG SER A 6 -0.013 -22.955 -9.356 1.00 0.00 H new ATOM 59 N GLY A 7 3.665 -21.187 -9.871 1.00 0.00 N ATOM 60 CA GLY A 7 4.744 -21.005 -8.916 1.00 0.00 C ATOM 61 C GLY A 7 4.227 -20.388 -7.615 1.00 0.00 C ATOM 62 O GLY A 7 3.194 -19.720 -7.609 1.00 0.00 O ATOM 0 H GLY A 7 3.016 -20.403 -9.935 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.214 -21.966 -8.705 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.512 -20.363 -9.347 1.00 0.00 H new ATOM 66 N HIS A 8 4.970 -20.632 -6.546 1.00 0.00 N ATOM 67 CA HIS A 8 4.599 -20.109 -5.242 1.00 0.00 C ATOM 68 C HIS A 8 5.714 -20.402 -4.236 1.00 0.00 C ATOM 69 O HIS A 8 6.462 -21.365 -4.395 1.00 0.00 O ATOM 70 CB HIS A 8 3.242 -20.660 -4.800 1.00 0.00 C ATOM 71 CG HIS A 8 2.223 -19.595 -4.474 1.00 0.00 C ATOM 72 ND1 HIS A 8 1.046 -19.441 -5.186 1.00 0.00 N ATOM 73 CD2 HIS A 8 2.216 -18.635 -3.506 1.00 0.00 C ATOM 74 CE1 HIS A 8 0.370 -18.429 -4.662 1.00 0.00 C ATOM 75 NE2 HIS A 8 1.097 -17.931 -3.621 1.00 0.00 N ATOM 0 H HIS A 8 5.827 -21.185 -6.556 1.00 0.00 H new ATOM 0 HA HIS A 8 4.484 -19.027 -5.300 1.00 0.00 H new ATOM 0 HB2 HIS A 8 2.846 -21.298 -5.590 1.00 0.00 H new ATOM 0 HB3 HIS A 8 3.386 -21.291 -3.923 1.00 0.00 H new ATOM 0 HD2 HIS A 8 2.990 -18.475 -2.770 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -0.588 -18.063 -5.000 1.00 0.00 H new ATOM 0 HE2 HIS A 8 0.825 -17.147 -3.028 1.00 0.00 H new ATOM 83 N GLN A 9 5.790 -19.552 -3.222 1.00 0.00 N ATOM 84 CA GLN A 9 6.801 -19.708 -2.189 1.00 0.00 C ATOM 85 C GLN A 9 6.614 -18.650 -1.100 1.00 0.00 C ATOM 86 O GLN A 9 6.912 -17.476 -1.312 1.00 0.00 O ATOM 87 CB GLN A 9 8.208 -19.638 -2.785 1.00 0.00 C ATOM 88 CG GLN A 9 9.100 -20.743 -2.216 1.00 0.00 C ATOM 89 CD GLN A 9 10.413 -20.167 -1.680 1.00 0.00 C ATOM 90 OE1 GLN A 9 10.589 -19.957 -0.491 1.00 0.00 O ATOM 91 NE2 GLN A 9 11.320 -19.923 -2.621 1.00 0.00 N ATOM 0 H GLN A 9 5.168 -18.753 -3.094 1.00 0.00 H new ATOM 0 HA GLN A 9 6.682 -20.692 -1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.153 -19.733 -3.869 1.00 0.00 H new ATOM 0 HB3 GLN A 9 8.649 -18.664 -2.572 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.574 -21.264 -1.416 1.00 0.00 H new ATOM 0 HG3 GLN A 9 9.312 -21.480 -2.991 1.00 0.00 H new ATOM 0 HE21 GLN A 9 11.107 -20.122 -3.598 1.00 0.00 H new ATOM 0 HE22 GLN A 9 12.229 -19.536 -2.365 1.00 0.00 H new ATOM 100 N GLN A 10 6.121 -19.105 0.043 1.00 0.00 N ATOM 101 CA GLN A 10 5.891 -18.213 1.166 1.00 0.00 C ATOM 102 C GLN A 10 7.078 -18.256 2.131 1.00 0.00 C ATOM 103 O GLN A 10 7.710 -19.298 2.297 1.00 0.00 O ATOM 104 CB GLN A 10 4.587 -18.562 1.886 1.00 0.00 C ATOM 105 CG GLN A 10 3.790 -17.300 2.221 1.00 0.00 C ATOM 106 CD GLN A 10 2.454 -17.653 2.878 1.00 0.00 C ATOM 107 OE1 GLN A 10 2.268 -18.726 3.428 1.00 0.00 O ATOM 108 NE2 GLN A 10 1.538 -16.693 2.792 1.00 0.00 N ATOM 0 H GLN A 10 5.875 -20.080 0.215 1.00 0.00 H new ATOM 0 HA GLN A 10 5.796 -17.197 0.783 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.986 -19.220 1.258 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.809 -19.110 2.802 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.372 -16.665 2.890 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.612 -16.726 1.312 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.759 -15.818 2.317 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.614 -16.832 3.201 1.00 0.00 H new ATOM 117 N GLN A 11 7.345 -17.111 2.741 1.00 0.00 N ATOM 118 CA GLN A 11 8.445 -17.005 3.685 1.00 0.00 C ATOM 119 C GLN A 11 7.928 -17.128 5.119 1.00 0.00 C ATOM 120 O GLN A 11 6.722 -17.068 5.355 1.00 0.00 O ATOM 121 CB GLN A 11 9.211 -15.695 3.489 1.00 0.00 C ATOM 122 CG GLN A 11 10.538 -15.939 2.766 1.00 0.00 C ATOM 123 CD GLN A 11 10.593 -15.166 1.446 1.00 0.00 C ATOM 124 OE1 GLN A 11 9.620 -15.063 0.716 1.00 0.00 O ATOM 125 NE2 GLN A 11 11.781 -14.631 1.181 1.00 0.00 N ATOM 0 H GLN A 11 6.819 -16.249 2.600 1.00 0.00 H new ATOM 0 HA GLN A 11 9.138 -17.825 3.498 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.603 -14.996 2.915 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.400 -15.232 4.457 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.366 -15.633 3.405 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.661 -17.005 2.573 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.554 -14.755 1.835 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.920 -14.096 0.324 1.00 0.00 H new ATOM 134 N ARG A 12 8.865 -17.298 6.040 1.00 0.00 N ATOM 135 CA ARG A 12 8.519 -17.430 7.445 1.00 0.00 C ATOM 136 C ARG A 12 8.538 -16.060 8.127 1.00 0.00 C ATOM 137 O ARG A 12 9.232 -15.149 7.680 1.00 0.00 O ATOM 138 CB ARG A 12 9.492 -18.364 8.167 1.00 0.00 C ATOM 139 CG ARG A 12 8.767 -19.596 8.712 1.00 0.00 C ATOM 140 CD ARG A 12 9.546 -20.223 9.869 1.00 0.00 C ATOM 141 NE ARG A 12 8.652 -20.421 11.032 1.00 0.00 N ATOM 142 CZ ARG A 12 9.063 -20.861 12.230 1.00 0.00 C ATOM 143 NH1 ARG A 12 10.356 -21.152 12.429 1.00 0.00 N ATOM 144 NH2 ARG A 12 8.182 -21.010 13.228 1.00 0.00 N ATOM 0 H ARG A 12 9.864 -17.347 5.841 1.00 0.00 H new ATOM 0 HA ARG A 12 7.517 -17.855 7.501 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.280 -18.675 7.481 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.975 -17.830 8.985 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.770 -19.315 9.050 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.639 -20.329 7.916 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.969 -21.178 9.558 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.381 -19.580 10.147 1.00 0.00 H new ATOM 0 HE ARG A 12 7.661 -20.209 10.915 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.027 -21.039 11.669 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.669 -21.487 13.340 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.198 -20.789 13.077 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.495 -21.345 14.139 1.00 0.00 H new ATOM 158 N SER A 13 7.766 -15.958 9.199 1.00 0.00 N ATOM 159 CA SER A 13 7.685 -14.715 9.948 1.00 0.00 C ATOM 160 C SER A 13 7.244 -13.577 9.025 1.00 0.00 C ATOM 161 O SER A 13 7.234 -13.731 7.805 1.00 0.00 O ATOM 162 CB SER A 13 9.025 -14.379 10.603 1.00 0.00 C ATOM 163 OG SER A 13 9.368 -15.309 11.627 1.00 0.00 O ATOM 0 H SER A 13 7.191 -16.716 9.567 1.00 0.00 H new ATOM 0 HA SER A 13 6.946 -14.839 10.740 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.807 -14.371 9.844 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.980 -13.375 11.025 1.00 0.00 H new ATOM 0 HG SER A 13 10.231 -15.060 12.019 1.00 0.00 H new ATOM 169 N VAL A 14 6.890 -12.460 9.644 1.00 0.00 N ATOM 170 CA VAL A 14 6.450 -11.296 8.893 1.00 0.00 C ATOM 171 C VAL A 14 7.294 -10.086 9.296 1.00 0.00 C ATOM 172 O VAL A 14 7.786 -10.014 10.421 1.00 0.00 O ATOM 173 CB VAL A 14 4.950 -11.075 9.103 1.00 0.00 C ATOM 174 CG1 VAL A 14 4.474 -9.818 8.373 1.00 0.00 C ATOM 175 CG2 VAL A 14 4.149 -12.302 8.663 1.00 0.00 C ATOM 0 H VAL A 14 6.899 -12.336 10.656 1.00 0.00 H new ATOM 0 HA VAL A 14 6.596 -11.453 7.824 1.00 0.00 H new ATOM 0 HB VAL A 14 4.778 -10.928 10.169 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.405 -9.684 8.538 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.012 -8.950 8.754 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.666 -9.923 7.305 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.086 -12.119 8.823 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.329 -12.494 7.605 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.460 -13.168 9.247 1.00 0.00 H new ATOM 185 N MET A 15 7.437 -9.165 8.354 1.00 0.00 N ATOM 186 CA MET A 15 8.214 -7.961 8.597 1.00 0.00 C ATOM 187 C MET A 15 7.416 -6.709 8.224 1.00 0.00 C ATOM 188 O MET A 15 6.398 -6.799 7.541 1.00 0.00 O ATOM 189 CB MET A 15 9.502 -8.010 7.772 1.00 0.00 C ATOM 190 CG MET A 15 9.194 -8.194 6.285 1.00 0.00 C ATOM 191 SD MET A 15 10.432 -7.369 5.299 1.00 0.00 S ATOM 192 CE MET A 15 9.582 -5.838 4.951 1.00 0.00 C ATOM 0 H MET A 15 7.028 -9.228 7.422 1.00 0.00 H new ATOM 0 HA MET A 15 8.454 -7.913 9.659 1.00 0.00 H new ATOM 0 HB2 MET A 15 10.067 -7.090 7.919 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.131 -8.829 8.121 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.169 -9.256 6.039 1.00 0.00 H new ATOM 0 HG3 MET A 15 8.207 -7.791 6.057 1.00 0.00 H new ATOM 0 HE1 MET A 15 9.341 -5.789 3.889 1.00 0.00 H new ATOM 0 HE2 MET A 15 8.662 -5.792 5.534 1.00 0.00 H new ATOM 0 HE3 MET A 15 10.223 -4.997 5.217 1.00 0.00 H new ATOM 202 N THR A 16 7.910 -5.572 8.691 1.00 0.00 N ATOM 203 CA THR A 16 7.256 -4.304 8.416 1.00 0.00 C ATOM 204 C THR A 16 8.104 -3.463 7.459 1.00 0.00 C ATOM 205 O THR A 16 9.329 -3.573 7.449 1.00 0.00 O ATOM 206 CB THR A 16 6.983 -3.613 9.753 1.00 0.00 C ATOM 207 OG1 THR A 16 6.005 -4.440 10.378 1.00 0.00 O ATOM 208 CG2 THR A 16 6.277 -2.266 9.583 1.00 0.00 C ATOM 0 H THR A 16 8.755 -5.502 9.258 1.00 0.00 H new ATOM 0 HA THR A 16 6.302 -4.453 7.910 1.00 0.00 H new ATOM 0 HB THR A 16 7.924 -3.466 10.284 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.771 -4.066 11.253 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.107 -1.818 10.562 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.900 -1.602 8.983 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.321 -2.417 9.082 1.00 0.00 H new ATOM 216 N GLU A 17 7.418 -2.641 6.678 1.00 0.00 N ATOM 217 CA GLU A 17 8.093 -1.782 5.720 1.00 0.00 C ATOM 218 C GLU A 17 7.412 -0.413 5.663 1.00 0.00 C ATOM 219 O GLU A 17 6.195 -0.314 5.817 1.00 0.00 O ATOM 220 CB GLU A 17 8.135 -2.432 4.335 1.00 0.00 C ATOM 221 CG GLU A 17 8.831 -1.521 3.323 1.00 0.00 C ATOM 222 CD GLU A 17 10.351 -1.574 3.492 1.00 0.00 C ATOM 223 OE1 GLU A 17 10.794 -1.529 4.660 1.00 0.00 O ATOM 224 OE2 GLU A 17 11.035 -1.659 2.449 1.00 0.00 O ATOM 0 H GLU A 17 6.402 -2.552 6.689 1.00 0.00 H new ATOM 0 HA GLU A 17 9.122 -1.641 6.050 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.660 -3.385 4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.120 -2.647 3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.563 -1.824 2.311 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.483 -0.496 3.451 1.00 0.00 H new ATOM 231 N GLU A 18 8.226 0.608 5.441 1.00 0.00 N ATOM 232 CA GLU A 18 7.717 1.967 5.362 1.00 0.00 C ATOM 233 C GLU A 18 7.814 2.487 3.926 1.00 0.00 C ATOM 234 O GLU A 18 8.907 2.776 3.439 1.00 0.00 O ATOM 235 CB GLU A 18 8.461 2.888 6.330 1.00 0.00 C ATOM 236 CG GLU A 18 8.159 4.358 6.030 1.00 0.00 C ATOM 237 CD GLU A 18 8.253 5.207 7.300 1.00 0.00 C ATOM 238 OE1 GLU A 18 7.648 4.787 8.310 1.00 0.00 O ATOM 239 OE2 GLU A 18 8.928 6.257 7.232 1.00 0.00 O ATOM 0 H GLU A 18 9.234 0.522 5.313 1.00 0.00 H new ATOM 0 HA GLU A 18 6.667 1.959 5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.171 2.655 7.355 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.534 2.711 6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.861 4.733 5.285 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.161 4.448 5.601 1.00 0.00 H new ATOM 246 N TYR A 19 6.658 2.591 3.288 1.00 0.00 N ATOM 247 CA TYR A 19 6.599 3.071 1.918 1.00 0.00 C ATOM 248 C TYR A 19 5.840 4.397 1.834 1.00 0.00 C ATOM 249 O TYR A 19 4.701 4.495 2.289 1.00 0.00 O ATOM 250 CB TYR A 19 5.831 2.007 1.131 1.00 0.00 C ATOM 251 CG TYR A 19 6.037 2.084 -0.383 1.00 0.00 C ATOM 252 CD1 TYR A 19 7.264 1.767 -0.929 1.00 0.00 C ATOM 253 CD2 TYR A 19 4.996 2.471 -1.202 1.00 0.00 C ATOM 254 CE1 TYR A 19 7.458 1.839 -2.354 1.00 0.00 C ATOM 255 CE2 TYR A 19 5.190 2.543 -2.628 1.00 0.00 C ATOM 256 CZ TYR A 19 6.411 2.224 -3.133 1.00 0.00 C ATOM 257 OH TYR A 19 6.595 2.292 -4.479 1.00 0.00 O ATOM 0 H TYR A 19 5.754 2.351 3.695 1.00 0.00 H new ATOM 0 HA TYR A 19 7.602 3.238 1.526 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.137 1.021 1.479 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.767 2.106 1.348 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.079 1.465 -0.288 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.036 2.720 -0.774 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.413 1.593 -2.794 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.384 2.844 -3.281 1.00 0.00 H new ATOM 0 HH TYR A 19 7.545 2.432 -4.673 1.00 0.00 H new ATOM 267 N LYS A 20 6.501 5.385 1.249 1.00 0.00 N ATOM 268 CA LYS A 20 5.904 6.701 1.100 1.00 0.00 C ATOM 269 C LYS A 20 5.353 6.848 -0.320 1.00 0.00 C ATOM 270 O LYS A 20 6.024 6.499 -1.289 1.00 0.00 O ATOM 271 CB LYS A 20 6.905 7.791 1.487 1.00 0.00 C ATOM 272 CG LYS A 20 6.904 8.025 2.999 1.00 0.00 C ATOM 273 CD LYS A 20 6.930 9.520 3.323 1.00 0.00 C ATOM 274 CE LYS A 20 7.882 9.813 4.484 1.00 0.00 C ATOM 275 NZ LYS A 20 7.333 10.881 5.348 1.00 0.00 N ATOM 0 H LYS A 20 7.445 5.300 0.872 1.00 0.00 H new ATOM 0 HA LYS A 20 5.062 6.817 1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.905 7.504 1.161 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.655 8.719 0.972 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.018 7.569 3.440 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.770 7.537 3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.242 10.081 2.442 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.926 9.858 3.578 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.039 8.908 5.070 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.855 10.115 4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.992 11.067 6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.206 11.749 4.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.415 10.579 5.732 1.00 0.00 H new ATOM 289 N VAL A 21 4.135 7.364 -0.397 1.00 0.00 N ATOM 290 CA VAL A 21 3.486 7.561 -1.682 1.00 0.00 C ATOM 291 C VAL A 21 3.046 9.021 -1.808 1.00 0.00 C ATOM 292 O VAL A 21 2.908 9.720 -0.805 1.00 0.00 O ATOM 293 CB VAL A 21 2.329 6.572 -1.841 1.00 0.00 C ATOM 294 CG1 VAL A 21 2.848 5.166 -2.145 1.00 0.00 C ATOM 295 CG2 VAL A 21 1.435 6.571 -0.600 1.00 0.00 C ATOM 0 H VAL A 21 3.581 7.652 0.409 1.00 0.00 H new ATOM 0 HA VAL A 21 4.182 7.360 -2.496 1.00 0.00 H new ATOM 0 HB VAL A 21 1.725 6.896 -2.688 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.006 4.483 -2.253 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.423 5.183 -3.071 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.486 4.829 -1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.621 5.860 -0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.023 6.284 0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.023 7.569 -0.447 1.00 0.00 H new ATOM 305 N PRO A 22 2.833 9.450 -3.081 1.00 0.00 N ATOM 306 CA PRO A 22 2.412 10.814 -3.350 1.00 0.00 C ATOM 307 C PRO A 22 0.935 11.011 -3.000 1.00 0.00 C ATOM 308 O PRO A 22 0.065 10.358 -3.573 1.00 0.00 O ATOM 309 CB PRO A 22 2.706 11.032 -4.825 1.00 0.00 C ATOM 310 CG PRO A 22 2.846 9.646 -5.432 1.00 0.00 C ATOM 311 CD PRO A 22 2.987 8.650 -4.292 1.00 0.00 C ATOM 0 HA PRO A 22 2.941 11.546 -2.739 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.902 11.589 -5.305 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.619 11.611 -4.960 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.975 9.407 -6.042 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.716 9.602 -6.087 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.228 7.870 -4.351 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.957 8.153 -4.318 1.00 0.00 H new ATOM 319 N ASP A 23 0.699 11.915 -2.060 1.00 0.00 N ATOM 320 CA ASP A 23 -0.657 12.206 -1.627 1.00 0.00 C ATOM 321 C ASP A 23 -1.516 12.544 -2.847 1.00 0.00 C ATOM 322 O ASP A 23 -2.739 12.414 -2.804 1.00 0.00 O ATOM 323 CB ASP A 23 -0.686 13.409 -0.681 1.00 0.00 C ATOM 324 CG ASP A 23 -2.065 14.040 -0.480 1.00 0.00 C ATOM 325 OD1 ASP A 23 -2.428 14.890 -1.321 1.00 0.00 O ATOM 326 OD2 ASP A 23 -2.725 13.657 0.510 1.00 0.00 O ATOM 0 H ASP A 23 1.423 12.455 -1.587 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.041 11.328 -1.107 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.300 13.098 0.290 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.007 14.170 -1.065 1.00 0.00 H new ATOM 331 N GLY A 24 -0.843 12.970 -3.905 1.00 0.00 N ATOM 332 CA GLY A 24 -1.530 13.327 -5.135 1.00 0.00 C ATOM 333 C GLY A 24 -1.946 12.077 -5.913 1.00 0.00 C ATOM 334 O GLY A 24 -2.584 12.177 -6.960 1.00 0.00 O ATOM 0 H GLY A 24 0.171 13.076 -3.936 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.411 13.925 -4.903 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.879 13.945 -5.753 1.00 0.00 H new ATOM 338 N MET A 25 -1.567 10.929 -5.372 1.00 0.00 N ATOM 339 CA MET A 25 -1.892 9.661 -6.003 1.00 0.00 C ATOM 340 C MET A 25 -2.612 8.730 -5.024 1.00 0.00 C ATOM 341 O MET A 25 -3.558 8.040 -5.400 1.00 0.00 O ATOM 342 CB MET A 25 -0.608 8.990 -6.494 1.00 0.00 C ATOM 343 CG MET A 25 0.066 9.828 -7.583 1.00 0.00 C ATOM 344 SD MET A 25 -1.056 10.068 -8.950 1.00 0.00 S ATOM 345 CE MET A 25 -0.961 8.458 -9.716 1.00 0.00 C ATOM 0 H MET A 25 -1.038 10.850 -4.504 1.00 0.00 H new ATOM 0 HA MET A 25 -2.555 9.856 -6.846 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.078 8.854 -5.658 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.838 7.998 -6.883 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.368 10.793 -7.176 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.972 9.330 -7.928 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.776 8.346 -10.431 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.008 8.358 -10.235 1.00 0.00 H new ATOM 0 HE3 MET A 25 -1.041 7.686 -8.951 1.00 0.00 H new ATOM 355 N VAL A 26 -2.136 8.742 -3.788 1.00 0.00 N ATOM 356 CA VAL A 26 -2.723 7.908 -2.752 1.00 0.00 C ATOM 357 C VAL A 26 -4.248 7.977 -2.850 1.00 0.00 C ATOM 358 O VAL A 26 -4.918 6.947 -2.895 1.00 0.00 O ATOM 359 CB VAL A 26 -2.192 8.327 -1.380 1.00 0.00 C ATOM 360 CG1 VAL A 26 -2.831 9.640 -0.923 1.00 0.00 C ATOM 361 CG2 VAL A 26 -2.412 7.221 -0.346 1.00 0.00 C ATOM 0 H VAL A 26 -1.351 9.316 -3.480 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.436 6.866 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.118 8.491 -1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.436 9.916 0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.601 10.426 -1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.912 9.515 -0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.026 7.544 0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.478 7.011 -0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.889 6.318 -0.662 1.00 0.00 H new ATOM 371 N GLY A 27 -4.752 9.202 -2.881 1.00 0.00 N ATOM 372 CA GLY A 27 -6.186 9.420 -2.973 1.00 0.00 C ATOM 373 C GLY A 27 -6.801 8.557 -4.076 1.00 0.00 C ATOM 374 O GLY A 27 -7.956 8.145 -3.976 1.00 0.00 O ATOM 0 H GLY A 27 -4.193 10.054 -2.844 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.655 9.185 -2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.385 10.472 -3.176 1.00 0.00 H new ATOM 378 N PHE A 28 -6.003 8.309 -5.104 1.00 0.00 N ATOM 379 CA PHE A 28 -6.455 7.503 -6.226 1.00 0.00 C ATOM 380 C PHE A 28 -6.073 6.034 -6.033 1.00 0.00 C ATOM 381 O PHE A 28 -6.669 5.149 -6.646 1.00 0.00 O ATOM 382 CB PHE A 28 -5.754 8.040 -7.475 1.00 0.00 C ATOM 383 CG PHE A 28 -5.614 7.014 -8.600 1.00 0.00 C ATOM 384 CD1 PHE A 28 -6.679 6.246 -8.956 1.00 0.00 C ATOM 385 CD2 PHE A 28 -4.426 6.870 -9.246 1.00 0.00 C ATOM 386 CE1 PHE A 28 -6.550 5.293 -10.001 1.00 0.00 C ATOM 387 CE2 PHE A 28 -4.297 5.917 -10.291 1.00 0.00 C ATOM 388 CZ PHE A 28 -5.362 5.149 -10.647 1.00 0.00 C ATOM 0 H PHE A 28 -5.046 8.652 -5.184 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.540 7.561 -6.313 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.309 8.900 -7.849 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.762 8.397 -7.197 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.623 6.361 -8.444 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.581 7.480 -8.964 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.395 4.683 -10.283 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.353 5.802 -10.803 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.264 4.425 -11.442 1.00 0.00 H new ATOM 398 N ILE A 29 -5.083 5.819 -5.180 1.00 0.00 N ATOM 399 CA ILE A 29 -4.615 4.473 -4.900 1.00 0.00 C ATOM 400 C ILE A 29 -5.724 3.688 -4.196 1.00 0.00 C ATOM 401 O ILE A 29 -5.953 2.519 -4.503 1.00 0.00 O ATOM 402 CB ILE A 29 -3.300 4.514 -4.118 1.00 0.00 C ATOM 403 CG1 ILE A 29 -2.199 5.195 -4.933 1.00 0.00 C ATOM 404 CG2 ILE A 29 -2.891 3.113 -3.659 1.00 0.00 C ATOM 405 CD1 ILE A 29 -0.817 4.892 -4.349 1.00 0.00 C ATOM 0 H ILE A 29 -4.592 6.555 -4.673 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.391 3.947 -5.828 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.454 5.114 -3.221 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.243 4.854 -5.967 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.364 6.272 -4.945 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.954 3.171 -3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.667 2.700 -3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.760 2.469 -4.529 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.053 5.388 -4.947 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.768 5.256 -3.323 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.645 3.816 -4.361 1.00 0.00 H new ATOM 417 N ILE A 30 -6.383 4.363 -3.265 1.00 0.00 N ATOM 418 CA ILE A 30 -7.463 3.743 -2.516 1.00 0.00 C ATOM 419 C ILE A 30 -8.485 3.157 -3.492 1.00 0.00 C ATOM 420 O ILE A 30 -8.777 1.963 -3.448 1.00 0.00 O ATOM 421 CB ILE A 30 -8.063 4.738 -1.520 1.00 0.00 C ATOM 422 CG1 ILE A 30 -6.964 5.484 -0.761 1.00 0.00 C ATOM 423 CG2 ILE A 30 -9.043 4.042 -0.574 1.00 0.00 C ATOM 424 CD1 ILE A 30 -6.886 6.946 -1.206 1.00 0.00 C ATOM 0 H ILE A 30 -6.190 5.332 -3.013 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.085 2.915 -1.916 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.629 5.483 -2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.160 5.436 0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.004 4.997 -0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.455 4.771 0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.852 3.595 -1.152 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.521 3.263 -0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.097 7.454 -0.651 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.666 6.990 -2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.840 7.437 -1.012 1.00 0.00 H new ATOM 436 N GLY A 31 -9.001 4.025 -4.350 1.00 0.00 N ATOM 437 CA GLY A 31 -9.984 3.608 -5.335 1.00 0.00 C ATOM 438 C GLY A 31 -11.407 3.806 -4.808 1.00 0.00 C ATOM 439 O GLY A 31 -12.186 2.857 -4.743 1.00 0.00 O ATOM 0 H GLY A 31 -8.757 5.015 -4.383 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.850 4.180 -6.253 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.829 2.559 -5.588 1.00 0.00 H new ATOM 443 N ARG A 32 -11.701 5.046 -4.445 1.00 0.00 N ATOM 444 CA ARG A 32 -13.016 5.381 -3.925 1.00 0.00 C ATOM 445 C ARG A 32 -13.531 4.259 -3.021 1.00 0.00 C ATOM 446 O ARG A 32 -14.266 3.382 -3.471 1.00 0.00 O ATOM 447 CB ARG A 32 -14.016 5.609 -5.061 1.00 0.00 C ATOM 448 CG ARG A 32 -14.166 7.101 -5.367 1.00 0.00 C ATOM 449 CD ARG A 32 -14.871 7.827 -4.220 1.00 0.00 C ATOM 450 NE ARG A 32 -16.327 7.569 -4.277 1.00 0.00 N ATOM 451 CZ ARG A 32 -17.192 7.935 -3.321 1.00 0.00 C ATOM 452 NH1 ARG A 32 -16.754 8.576 -2.229 1.00 0.00 N ATOM 453 NH2 ARG A 32 -18.497 7.659 -3.457 1.00 0.00 N ATOM 0 H ARG A 32 -11.052 5.831 -4.501 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.920 6.302 -3.350 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -13.683 5.082 -5.955 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.985 5.191 -4.787 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.183 7.543 -5.532 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.733 7.232 -6.288 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -14.471 7.489 -3.264 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -14.680 8.898 -4.285 1.00 0.00 H new ATOM 0 HE ARG A 32 -16.695 7.083 -5.094 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -15.761 8.786 -2.125 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -17.413 8.854 -1.502 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -18.831 7.171 -4.288 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -19.156 7.937 -2.730 1.00 0.00 H new ATOM 467 N GLY A 33 -13.124 4.325 -1.761 1.00 0.00 N ATOM 468 CA GLY A 33 -13.535 3.326 -0.789 1.00 0.00 C ATOM 469 C GLY A 33 -12.351 2.455 -0.364 1.00 0.00 C ATOM 470 O GLY A 33 -12.187 2.159 0.818 1.00 0.00 O ATOM 0 H GLY A 33 -12.514 5.054 -1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.962 3.818 0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.318 2.699 -1.216 1.00 0.00 H new ATOM 474 N GLY A 34 -11.556 2.070 -1.351 1.00 0.00 N ATOM 475 CA GLY A 34 -10.391 1.240 -1.094 1.00 0.00 C ATOM 476 C GLY A 34 -10.472 -0.074 -1.874 1.00 0.00 C ATOM 477 O GLY A 34 -10.099 -1.128 -1.362 1.00 0.00 O ATOM 0 H GLY A 34 -11.695 2.317 -2.331 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.486 1.779 -1.376 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.318 1.030 -0.027 1.00 0.00 H new ATOM 481 N GLU A 35 -10.962 0.032 -3.101 1.00 0.00 N ATOM 482 CA GLU A 35 -11.096 -1.135 -3.956 1.00 0.00 C ATOM 483 C GLU A 35 -9.868 -1.276 -4.857 1.00 0.00 C ATOM 484 O GLU A 35 -9.528 -2.380 -5.280 1.00 0.00 O ATOM 485 CB GLU A 35 -12.379 -1.061 -4.786 1.00 0.00 C ATOM 486 CG GLU A 35 -12.437 -2.199 -5.808 1.00 0.00 C ATOM 487 CD GLU A 35 -13.869 -2.711 -5.976 1.00 0.00 C ATOM 488 OE1 GLU A 35 -14.529 -2.904 -4.933 1.00 0.00 O ATOM 489 OE2 GLU A 35 -14.271 -2.899 -7.145 1.00 0.00 O ATOM 0 H GLU A 35 -11.271 0.908 -3.523 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.162 -2.020 -3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.246 -1.114 -4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.428 -0.102 -5.301 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.056 -1.850 -6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.790 -3.015 -5.486 1.00 0.00 H new ATOM 496 N GLN A 36 -9.236 -0.143 -5.125 1.00 0.00 N ATOM 497 CA GLN A 36 -8.052 -0.127 -5.968 1.00 0.00 C ATOM 498 C GLN A 36 -6.844 -0.664 -5.197 1.00 0.00 C ATOM 499 O GLN A 36 -5.971 -1.309 -5.776 1.00 0.00 O ATOM 500 CB GLN A 36 -7.780 1.280 -6.504 1.00 0.00 C ATOM 501 CG GLN A 36 -6.466 1.324 -7.286 1.00 0.00 C ATOM 502 CD GLN A 36 -6.717 1.643 -8.762 1.00 0.00 C ATOM 503 OE1 GLN A 36 -7.843 1.696 -9.229 1.00 0.00 O ATOM 504 NE2 GLN A 36 -5.609 1.851 -9.466 1.00 0.00 N ATOM 0 H GLN A 36 -9.521 0.771 -4.773 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.230 -0.778 -6.824 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.602 1.593 -7.149 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.738 1.987 -5.675 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.807 2.077 -6.854 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.955 0.365 -7.199 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.698 1.791 -9.012 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.670 2.071 -10.460 1.00 0.00 H new ATOM 513 N ILE A 37 -6.833 -0.377 -3.904 1.00 0.00 N ATOM 514 CA ILE A 37 -5.746 -0.823 -3.048 1.00 0.00 C ATOM 515 C ILE A 37 -5.921 -2.312 -2.743 1.00 0.00 C ATOM 516 O ILE A 37 -4.967 -3.083 -2.831 1.00 0.00 O ATOM 517 CB ILE A 37 -5.655 0.054 -1.798 1.00 0.00 C ATOM 518 CG1 ILE A 37 -4.329 -0.170 -1.067 1.00 0.00 C ATOM 519 CG2 ILE A 37 -6.859 -0.170 -0.882 1.00 0.00 C ATOM 520 CD1 ILE A 37 -3.255 0.796 -1.571 1.00 0.00 C ATOM 0 H ILE A 37 -7.559 0.159 -3.428 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.789 -0.712 -3.558 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.679 1.098 -2.111 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.473 -0.033 0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.997 -1.198 -1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.769 0.466 -0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.775 0.079 -1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.892 -1.215 -0.574 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.323 0.616 -1.035 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.096 0.639 -2.638 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.579 1.822 -1.399 1.00 0.00 H new ATOM 532 N SER A 38 -7.147 -2.672 -2.392 1.00 0.00 N ATOM 533 CA SER A 38 -7.459 -4.055 -2.074 1.00 0.00 C ATOM 534 C SER A 38 -6.817 -4.986 -3.104 1.00 0.00 C ATOM 535 O SER A 38 -6.043 -5.873 -2.746 1.00 0.00 O ATOM 536 CB SER A 38 -8.971 -4.281 -2.023 1.00 0.00 C ATOM 537 OG SER A 38 -9.318 -5.392 -1.201 1.00 0.00 O ATOM 0 H SER A 38 -7.936 -2.030 -2.321 1.00 0.00 H new ATOM 0 HA SER A 38 -7.053 -4.279 -1.088 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.459 -3.383 -1.644 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.347 -4.446 -3.033 1.00 0.00 H new ATOM 0 HG SER A 38 -10.292 -5.502 -1.193 1.00 0.00 H new ATOM 543 N ARG A 39 -7.161 -4.753 -4.361 1.00 0.00 N ATOM 544 CA ARG A 39 -6.629 -5.560 -5.446 1.00 0.00 C ATOM 545 C ARG A 39 -5.110 -5.694 -5.311 1.00 0.00 C ATOM 546 O ARG A 39 -4.538 -6.715 -5.690 1.00 0.00 O ATOM 547 CB ARG A 39 -6.960 -4.943 -6.806 1.00 0.00 C ATOM 548 CG ARG A 39 -7.685 -5.949 -7.702 1.00 0.00 C ATOM 549 CD ARG A 39 -8.750 -5.256 -8.554 1.00 0.00 C ATOM 550 NE ARG A 39 -8.679 -5.745 -9.950 1.00 0.00 N ATOM 551 CZ ARG A 39 -9.479 -5.318 -10.936 1.00 0.00 C ATOM 552 NH1 ARG A 39 -10.415 -4.393 -10.687 1.00 0.00 N ATOM 553 NH2 ARG A 39 -9.342 -5.818 -12.172 1.00 0.00 N ATOM 0 H ARG A 39 -7.803 -4.016 -4.653 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.092 -6.545 -5.385 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.583 -4.060 -6.667 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.042 -4.612 -7.293 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.965 -6.450 -8.350 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.150 -6.719 -7.087 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.740 -5.450 -8.142 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.601 -4.177 -8.530 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.978 -6.451 -10.175 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.519 -4.013 -9.746 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.024 -4.068 -11.438 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.629 -6.523 -12.361 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.951 -5.494 -12.924 1.00 0.00 H new ATOM 567 N ILE A 40 -4.502 -4.649 -4.769 1.00 0.00 N ATOM 568 CA ILE A 40 -3.061 -4.638 -4.580 1.00 0.00 C ATOM 569 C ILE A 40 -2.705 -5.492 -3.361 1.00 0.00 C ATOM 570 O ILE A 40 -1.702 -6.204 -3.370 1.00 0.00 O ATOM 571 CB ILE A 40 -2.543 -3.201 -4.496 1.00 0.00 C ATOM 572 CG1 ILE A 40 -3.082 -2.355 -5.652 1.00 0.00 C ATOM 573 CG2 ILE A 40 -1.015 -3.172 -4.429 1.00 0.00 C ATOM 574 CD1 ILE A 40 -2.828 -0.867 -5.407 1.00 0.00 C ATOM 0 H ILE A 40 -4.980 -3.805 -4.455 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.560 -5.083 -5.440 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.914 -2.758 -3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.606 -2.660 -6.584 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.151 -2.531 -5.768 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.673 -2.139 -4.370 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.679 -3.716 -3.546 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.603 -3.640 -5.323 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.221 -0.288 -6.243 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.326 -0.559 -4.487 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.756 -0.691 -5.316 1.00 0.00 H new ATOM 586 N GLN A 41 -3.546 -5.392 -2.342 1.00 0.00 N ATOM 587 CA GLN A 41 -3.332 -6.147 -1.119 1.00 0.00 C ATOM 588 C GLN A 41 -3.541 -7.641 -1.374 1.00 0.00 C ATOM 589 O GLN A 41 -2.884 -8.477 -0.756 1.00 0.00 O ATOM 590 CB GLN A 41 -4.248 -5.648 0.000 1.00 0.00 C ATOM 591 CG GLN A 41 -3.711 -4.353 0.612 1.00 0.00 C ATOM 592 CD GLN A 41 -4.667 -3.813 1.678 1.00 0.00 C ATOM 593 OE1 GLN A 41 -5.236 -4.548 2.468 1.00 0.00 O ATOM 594 NE2 GLN A 41 -4.811 -2.491 1.656 1.00 0.00 N ATOM 0 H GLN A 41 -4.377 -4.800 -2.338 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.302 -5.994 -0.796 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.250 -5.480 -0.394 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.333 -6.412 0.773 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.732 -4.535 1.055 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.574 -3.606 -0.170 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.305 -1.934 0.967 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.428 -2.034 2.328 1.00 0.00 H new ATOM 603 N GLN A 42 -4.458 -7.931 -2.285 1.00 0.00 N ATOM 604 CA GLN A 42 -4.761 -9.310 -2.629 1.00 0.00 C ATOM 605 C GLN A 42 -3.780 -9.822 -3.686 1.00 0.00 C ATOM 606 O GLN A 42 -3.351 -10.973 -3.634 1.00 0.00 O ATOM 607 CB GLN A 42 -6.207 -9.449 -3.110 1.00 0.00 C ATOM 608 CG GLN A 42 -7.191 -9.226 -1.960 1.00 0.00 C ATOM 609 CD GLN A 42 -7.894 -10.531 -1.579 1.00 0.00 C ATOM 610 OE1 GLN A 42 -8.347 -11.290 -2.419 1.00 0.00 O ATOM 611 NE2 GLN A 42 -7.959 -10.747 -0.268 1.00 0.00 N ATOM 0 H GLN A 42 -5.001 -7.235 -2.796 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.650 -9.921 -1.733 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.401 -8.728 -3.904 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.359 -10.441 -3.536 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.661 -8.828 -1.095 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.932 -8.481 -2.250 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.559 -10.069 0.381 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.409 -11.590 0.088 1.00 0.00 H new ATOM 620 N GLU A 43 -3.453 -8.940 -4.620 1.00 0.00 N ATOM 621 CA GLU A 43 -2.530 -9.289 -5.687 1.00 0.00 C ATOM 622 C GLU A 43 -1.215 -9.808 -5.102 1.00 0.00 C ATOM 623 O GLU A 43 -0.795 -10.924 -5.405 1.00 0.00 O ATOM 624 CB GLU A 43 -2.286 -8.095 -6.611 1.00 0.00 C ATOM 625 CG GLU A 43 -3.235 -8.127 -7.811 1.00 0.00 C ATOM 626 CD GLU A 43 -2.702 -9.052 -8.907 1.00 0.00 C ATOM 627 OE1 GLU A 43 -3.052 -10.251 -8.857 1.00 0.00 O ATOM 628 OE2 GLU A 43 -1.958 -8.539 -9.770 1.00 0.00 O ATOM 0 H GLU A 43 -3.810 -7.986 -4.660 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.978 -10.083 -6.284 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.426 -7.167 -6.057 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.253 -8.105 -6.959 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.220 -8.466 -7.491 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.358 -7.120 -8.209 1.00 0.00 H new ATOM 635 N SER A 44 -0.601 -8.975 -4.275 1.00 0.00 N ATOM 636 CA SER A 44 0.658 -9.336 -3.646 1.00 0.00 C ATOM 637 C SER A 44 0.393 -10.120 -2.360 1.00 0.00 C ATOM 638 O SER A 44 1.272 -10.826 -1.867 1.00 0.00 O ATOM 639 CB SER A 44 1.500 -8.094 -3.348 1.00 0.00 C ATOM 640 OG SER A 44 0.894 -7.262 -2.362 1.00 0.00 O ATOM 0 H SER A 44 -0.952 -8.050 -4.026 1.00 0.00 H new ATOM 0 HA SER A 44 1.219 -9.964 -4.338 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.489 -8.400 -3.006 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.642 -7.524 -4.266 1.00 0.00 H new ATOM 0 HG SER A 44 0.035 -6.931 -2.697 1.00 0.00 H new ATOM 646 N GLY A 45 -0.821 -9.970 -1.852 1.00 0.00 N ATOM 647 CA GLY A 45 -1.212 -10.656 -0.632 1.00 0.00 C ATOM 648 C GLY A 45 -0.520 -10.043 0.587 1.00 0.00 C ATOM 649 O GLY A 45 -0.337 -10.712 1.603 1.00 0.00 O ATOM 0 H GLY A 45 -1.547 -9.383 -2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.293 -10.598 -0.508 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.956 -11.713 -0.707 1.00 0.00 H new ATOM 653 N CYS A 46 -0.153 -8.777 0.446 1.00 0.00 N ATOM 654 CA CYS A 46 0.515 -8.067 1.523 1.00 0.00 C ATOM 655 C CYS A 46 -0.471 -7.059 2.117 1.00 0.00 C ATOM 656 O CYS A 46 -1.429 -6.659 1.458 1.00 0.00 O ATOM 657 CB CYS A 46 1.801 -7.393 1.043 1.00 0.00 C ATOM 658 SG CYS A 46 3.136 -7.647 2.269 1.00 0.00 S ATOM 0 H CYS A 46 -0.306 -8.225 -0.398 1.00 0.00 H new ATOM 0 HA CYS A 46 0.820 -8.774 2.295 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.099 -7.804 0.078 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.629 -6.327 0.896 1.00 0.00 H new ATOM 0 HG CYS A 46 2.626 -7.682 3.464 1.00 0.00 H new ATOM 664 N LYS A 47 -0.201 -6.676 3.357 1.00 0.00 N ATOM 665 CA LYS A 47 -1.052 -5.722 4.048 1.00 0.00 C ATOM 666 C LYS A 47 -0.575 -4.302 3.738 1.00 0.00 C ATOM 667 O LYS A 47 0.626 -4.055 3.641 1.00 0.00 O ATOM 668 CB LYS A 47 -1.110 -6.040 5.543 1.00 0.00 C ATOM 669 CG LYS A 47 -2.366 -5.445 6.182 1.00 0.00 C ATOM 670 CD LYS A 47 -2.242 -5.411 7.707 1.00 0.00 C ATOM 671 CE LYS A 47 -3.611 -5.563 8.372 1.00 0.00 C ATOM 672 NZ LYS A 47 -3.882 -6.984 8.682 1.00 0.00 N ATOM 0 H LYS A 47 0.595 -7.009 3.901 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.079 -5.798 3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.100 -7.120 5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.223 -5.643 6.037 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.527 -4.435 5.804 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.237 -6.035 5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.581 -6.212 8.040 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.785 -4.471 8.017 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.645 -4.972 9.287 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.387 -5.174 7.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.815 -7.069 9.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.870 -7.539 7.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.151 -7.344 9.328 1.00 0.00 H new ATOM 686 N ILE A 48 -1.540 -3.406 3.593 1.00 0.00 N ATOM 687 CA ILE A 48 -1.232 -2.017 3.297 1.00 0.00 C ATOM 688 C ILE A 48 -2.069 -1.110 4.201 1.00 0.00 C ATOM 689 O ILE A 48 -3.265 -0.934 3.975 1.00 0.00 O ATOM 690 CB ILE A 48 -1.416 -1.734 1.804 1.00 0.00 C ATOM 691 CG1 ILE A 48 -0.419 -2.540 0.967 1.00 0.00 C ATOM 692 CG2 ILE A 48 -1.326 -0.234 1.515 1.00 0.00 C ATOM 693 CD1 ILE A 48 -0.996 -2.859 -0.413 1.00 0.00 C ATOM 0 H ILE A 48 -2.535 -3.614 3.675 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.185 -1.805 3.512 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.416 -2.058 1.515 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.508 -1.977 0.857 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.169 -3.467 1.484 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.460 -0.060 0.447 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.105 0.291 2.068 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.349 0.138 1.823 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.269 -3.432 -0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.910 -3.443 -0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.222 -1.930 -0.937 1.00 0.00 H new ATOM 705 N GLN A 49 -1.407 -0.559 5.208 1.00 0.00 N ATOM 706 CA GLN A 49 -2.074 0.325 6.148 1.00 0.00 C ATOM 707 C GLN A 49 -1.706 1.782 5.860 1.00 0.00 C ATOM 708 O GLN A 49 -0.634 2.244 6.250 1.00 0.00 O ATOM 709 CB GLN A 49 -1.734 -0.051 7.591 1.00 0.00 C ATOM 710 CG GLN A 49 -2.473 -1.323 8.015 1.00 0.00 C ATOM 711 CD GLN A 49 -2.926 -1.233 9.473 1.00 0.00 C ATOM 712 OE1 GLN A 49 -2.131 -1.234 10.399 1.00 0.00 O ATOM 713 NE2 GLN A 49 -4.245 -1.156 9.626 1.00 0.00 N ATOM 0 H GLN A 49 -0.415 -0.708 5.393 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.151 0.211 6.022 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.659 -0.201 7.688 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.002 0.769 8.257 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.338 -1.477 7.370 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.821 -2.187 7.886 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.854 -1.160 8.808 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.647 -1.093 10.561 1.00 0.00 H new ATOM 722 N ILE A 50 -2.614 2.466 5.180 1.00 0.00 N ATOM 723 CA ILE A 50 -2.398 3.860 4.835 1.00 0.00 C ATOM 724 C ILE A 50 -3.037 4.750 5.903 1.00 0.00 C ATOM 725 O ILE A 50 -4.218 4.602 6.214 1.00 0.00 O ATOM 726 CB ILE A 50 -2.897 4.146 3.417 1.00 0.00 C ATOM 727 CG1 ILE A 50 -2.537 3.001 2.468 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.377 5.493 2.913 1.00 0.00 C ATOM 729 CD1 ILE A 50 -2.939 3.334 1.030 1.00 0.00 C ATOM 0 H ILE A 50 -3.502 2.080 4.859 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.332 4.088 4.824 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.985 4.212 3.445 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.465 2.809 2.514 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.039 2.088 2.787 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.747 5.671 1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.726 6.288 3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.287 5.482 2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.672 2.504 0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.015 3.502 0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.417 4.234 0.705 1.00 0.00 H new ATOM 741 N ALA A 51 -2.228 5.655 6.435 1.00 0.00 N ATOM 742 CA ALA A 51 -2.700 6.569 7.462 1.00 0.00 C ATOM 743 C ALA A 51 -3.755 7.501 6.863 1.00 0.00 C ATOM 744 O ALA A 51 -3.810 7.683 5.648 1.00 0.00 O ATOM 745 CB ALA A 51 -1.513 7.333 8.050 1.00 0.00 C ATOM 0 H ALA A 51 -1.249 5.775 6.174 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.170 6.020 8.278 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.867 8.018 8.820 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.807 6.627 8.489 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.017 7.899 7.261 1.00 0.00 H new ATOM 751 N PRO A 52 -4.589 8.081 7.767 1.00 0.00 N ATOM 752 CA PRO A 52 -5.639 8.990 7.340 1.00 0.00 C ATOM 753 C PRO A 52 -5.061 10.351 6.948 1.00 0.00 C ATOM 754 O PRO A 52 -4.906 10.646 5.764 1.00 0.00 O ATOM 755 CB PRO A 52 -6.595 9.069 8.520 1.00 0.00 C ATOM 756 CG PRO A 52 -5.811 8.574 9.725 1.00 0.00 C ATOM 757 CD PRO A 52 -4.554 7.889 9.214 1.00 0.00 C ATOM 0 HA PRO A 52 -6.157 8.643 6.446 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.943 10.091 8.673 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.478 8.454 8.349 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.553 9.406 10.380 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.412 7.880 10.313 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.658 8.330 9.650 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -4.547 6.830 9.473 1.00 0.00 H new ATOM 765 N ASP A 53 -4.758 11.145 7.965 1.00 0.00 N ATOM 766 CA ASP A 53 -4.200 12.468 7.741 1.00 0.00 C ATOM 767 C ASP A 53 -2.685 12.353 7.557 1.00 0.00 C ATOM 768 O ASP A 53 -2.003 11.727 8.366 1.00 0.00 O ATOM 769 CB ASP A 53 -4.462 13.385 8.937 1.00 0.00 C ATOM 770 CG ASP A 53 -5.571 14.418 8.728 1.00 0.00 C ATOM 771 OD1 ASP A 53 -5.406 15.251 7.811 1.00 0.00 O ATOM 772 OD2 ASP A 53 -6.560 14.351 9.490 1.00 0.00 O ATOM 0 H ASP A 53 -4.888 10.897 8.946 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.673 12.888 6.853 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.718 12.769 9.799 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.539 13.910 9.183 1.00 0.00 H new ATOM 777 N SER A 54 -2.203 12.968 6.487 1.00 0.00 N ATOM 778 CA SER A 54 -0.782 12.943 6.185 1.00 0.00 C ATOM 779 C SER A 54 -0.062 14.043 6.968 1.00 0.00 C ATOM 780 O SER A 54 1.145 14.228 6.817 1.00 0.00 O ATOM 781 CB SER A 54 -0.534 13.110 4.685 1.00 0.00 C ATOM 782 OG SER A 54 0.708 13.755 4.418 1.00 0.00 O ATOM 0 H SER A 54 -2.772 13.487 5.818 1.00 0.00 H new ATOM 0 HA SER A 54 -0.386 11.973 6.485 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.545 12.132 4.205 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.346 13.690 4.246 1.00 0.00 H new ATOM 0 HG SER A 54 0.647 14.244 3.571 1.00 0.00 H new ATOM 788 N GLY A 55 -0.832 14.743 7.788 1.00 0.00 N ATOM 789 CA GLY A 55 -0.283 15.819 8.594 1.00 0.00 C ATOM 790 C GLY A 55 0.226 16.961 7.712 1.00 0.00 C ATOM 791 O GLY A 55 0.903 17.868 8.193 1.00 0.00 O ATOM 0 H GLY A 55 -1.832 14.586 7.911 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.047 16.194 9.275 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.533 15.438 9.208 1.00 0.00 H new ATOM 795 N GLY A 56 -0.120 16.879 6.436 1.00 0.00 N ATOM 796 CA GLY A 56 0.293 17.894 5.482 1.00 0.00 C ATOM 797 C GLY A 56 1.620 17.516 4.819 1.00 0.00 C ATOM 798 O GLY A 56 2.300 18.370 4.251 1.00 0.00 O ATOM 0 H GLY A 56 -0.682 16.125 6.040 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.477 18.016 4.720 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.396 18.854 5.988 1.00 0.00 H new ATOM 802 N LEU A 57 1.947 16.236 4.912 1.00 0.00 N ATOM 803 CA LEU A 57 3.179 15.734 4.328 1.00 0.00 C ATOM 804 C LEU A 57 3.011 15.619 2.812 1.00 0.00 C ATOM 805 O LEU A 57 1.892 15.491 2.316 1.00 0.00 O ATOM 806 CB LEU A 57 3.597 14.425 5.002 1.00 0.00 C ATOM 807 CG LEU A 57 4.495 14.561 6.233 1.00 0.00 C ATOM 808 CD1 LEU A 57 5.888 15.059 5.844 1.00 0.00 C ATOM 809 CD2 LEU A 57 3.842 15.452 7.292 1.00 0.00 C ATOM 0 H LEU A 57 1.380 15.531 5.383 1.00 0.00 H new ATOM 0 HA LEU A 57 3.997 16.433 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.696 13.885 5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.114 13.810 4.266 1.00 0.00 H new ATOM 0 HG LEU A 57 4.619 13.573 6.676 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.506 15.147 6.738 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.347 14.352 5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.805 16.034 5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.501 15.532 8.157 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.668 16.444 6.875 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.892 15.015 7.599 1.00 0.00 H new ATOM 821 N PRO A 58 4.168 15.671 2.100 1.00 0.00 N ATOM 822 CA PRO A 58 4.159 15.574 0.650 1.00 0.00 C ATOM 823 C PRO A 58 3.905 14.134 0.198 1.00 0.00 C ATOM 824 O PRO A 58 3.407 13.904 -0.903 1.00 0.00 O ATOM 825 CB PRO A 58 5.515 16.103 0.212 1.00 0.00 C ATOM 826 CG PRO A 58 6.404 16.040 1.443 1.00 0.00 C ATOM 827 CD PRO A 58 5.511 15.822 2.653 1.00 0.00 C ATOM 0 HA PRO A 58 3.355 16.152 0.195 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.926 15.501 -0.598 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.434 17.124 -0.160 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.126 15.229 1.351 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.973 16.963 1.550 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.811 14.936 3.212 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.563 16.666 3.341 1.00 0.00 H new ATOM 835 N GLU A 59 4.258 13.203 1.071 1.00 0.00 N ATOM 836 CA GLU A 59 4.074 11.792 0.776 1.00 0.00 C ATOM 837 C GLU A 59 3.354 11.097 1.933 1.00 0.00 C ATOM 838 O GLU A 59 3.686 11.316 3.097 1.00 0.00 O ATOM 839 CB GLU A 59 5.413 11.115 0.478 1.00 0.00 C ATOM 840 CG GLU A 59 6.036 11.672 -0.804 1.00 0.00 C ATOM 841 CD GLU A 59 7.317 12.452 -0.497 1.00 0.00 C ATOM 842 OE1 GLU A 59 7.422 12.943 0.648 1.00 0.00 O ATOM 843 OE2 GLU A 59 8.161 12.540 -1.414 1.00 0.00 O ATOM 0 H GLU A 59 4.671 13.398 1.983 1.00 0.00 H new ATOM 0 HA GLU A 59 3.454 11.706 -0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.096 11.267 1.314 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.266 10.040 0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.259 10.854 -1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.321 12.323 -1.307 1.00 0.00 H new ATOM 850 N ARG A 60 2.381 10.273 1.573 1.00 0.00 N ATOM 851 CA ARG A 60 1.611 9.544 2.567 1.00 0.00 C ATOM 852 C ARG A 60 2.298 8.219 2.903 1.00 0.00 C ATOM 853 O ARG A 60 2.571 7.414 2.014 1.00 0.00 O ATOM 854 CB ARG A 60 0.193 9.263 2.067 1.00 0.00 C ATOM 855 CG ARG A 60 -0.549 8.324 3.021 1.00 0.00 C ATOM 856 CD ARG A 60 -1.344 9.115 4.061 1.00 0.00 C ATOM 857 NE ARG A 60 -0.521 9.330 5.272 1.00 0.00 N ATOM 858 CZ ARG A 60 -1.022 9.642 6.475 1.00 0.00 C ATOM 859 NH1 ARG A 60 -2.345 9.778 6.635 1.00 0.00 N ATOM 860 NH2 ARG A 60 -0.199 9.819 7.518 1.00 0.00 N ATOM 0 H ARG A 60 2.108 10.094 0.607 1.00 0.00 H new ATOM 0 HA ARG A 60 1.552 10.164 3.462 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.356 10.200 1.973 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.236 8.818 1.073 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.223 7.682 2.454 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.165 7.671 3.523 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.650 10.075 3.644 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.255 8.576 4.321 1.00 0.00 H new ATOM 0 HE ARG A 60 0.491 9.235 5.186 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.971 9.644 5.841 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.726 10.015 7.551 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.808 9.716 7.396 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.580 10.057 8.434 1.00 0.00 H new ATOM 874 N SER A 61 2.556 8.032 4.189 1.00 0.00 N ATOM 875 CA SER A 61 3.205 6.818 4.654 1.00 0.00 C ATOM 876 C SER A 61 2.214 5.653 4.632 1.00 0.00 C ATOM 877 O SER A 61 1.067 5.802 5.053 1.00 0.00 O ATOM 878 CB SER A 61 3.777 7.003 6.061 1.00 0.00 C ATOM 879 OG SER A 61 4.543 5.876 6.478 1.00 0.00 O ATOM 0 H SER A 61 2.327 8.701 4.924 1.00 0.00 H new ATOM 0 HA SER A 61 4.033 6.594 3.982 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.403 7.895 6.084 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.961 7.168 6.765 1.00 0.00 H new ATOM 0 HG SER A 61 4.892 6.033 7.380 1.00 0.00 H new ATOM 885 N CYS A 62 2.691 4.521 4.137 1.00 0.00 N ATOM 886 CA CYS A 62 1.860 3.331 4.056 1.00 0.00 C ATOM 887 C CYS A 62 2.640 2.159 4.655 1.00 0.00 C ATOM 888 O CYS A 62 3.554 1.629 4.025 1.00 0.00 O ATOM 889 CB CYS A 62 1.419 3.047 2.619 1.00 0.00 C ATOM 890 SG CYS A 62 0.484 4.475 1.958 1.00 0.00 S ATOM 0 H CYS A 62 3.642 4.402 3.788 1.00 0.00 H new ATOM 0 HA CYS A 62 0.943 3.485 4.625 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.291 2.852 1.994 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.799 2.151 2.590 1.00 0.00 H new ATOM 0 HG CYS A 62 0.116 4.225 0.737 1.00 0.00 H new ATOM 896 N MET A 63 2.250 1.788 5.866 1.00 0.00 N ATOM 897 CA MET A 63 2.900 0.688 6.558 1.00 0.00 C ATOM 898 C MET A 63 2.438 -0.660 6.002 1.00 0.00 C ATOM 899 O MET A 63 1.255 -0.990 6.070 1.00 0.00 O ATOM 900 CB MET A 63 2.578 0.762 8.052 1.00 0.00 C ATOM 901 CG MET A 63 3.129 2.049 8.669 1.00 0.00 C ATOM 902 SD MET A 63 4.893 2.143 8.411 1.00 0.00 S ATOM 903 CE MET A 63 5.453 1.034 9.693 1.00 0.00 C ATOM 0 H MET A 63 1.492 2.230 6.386 1.00 0.00 H new ATOM 0 HA MET A 63 3.976 0.773 6.405 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.499 0.718 8.198 1.00 0.00 H new ATOM 0 HB3 MET A 63 3.004 -0.102 8.563 1.00 0.00 H new ATOM 0 HG2 MET A 63 2.641 2.915 8.221 1.00 0.00 H new ATOM 0 HG3 MET A 63 2.907 2.075 9.736 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.464 0.696 9.466 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.451 1.555 10.651 1.00 0.00 H new ATOM 0 HE3 MET A 63 4.786 0.173 9.747 1.00 0.00 H new ATOM 913 N LEU A 64 3.394 -1.402 5.464 1.00 0.00 N ATOM 914 CA LEU A 64 3.100 -2.706 4.896 1.00 0.00 C ATOM 915 C LEU A 64 3.476 -3.793 5.905 1.00 0.00 C ATOM 916 O LEU A 64 4.387 -3.609 6.711 1.00 0.00 O ATOM 917 CB LEU A 64 3.784 -2.866 3.537 1.00 0.00 C ATOM 918 CG LEU A 64 3.618 -1.699 2.561 1.00 0.00 C ATOM 919 CD1 LEU A 64 4.910 -0.886 2.454 1.00 0.00 C ATOM 920 CD2 LEU A 64 3.135 -2.190 1.195 1.00 0.00 C ATOM 0 H LEU A 64 4.374 -1.125 5.409 1.00 0.00 H new ATOM 0 HA LEU A 64 2.032 -2.805 4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.849 -3.024 3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.398 -3.768 3.062 1.00 0.00 H new ATOM 0 HG LEU A 64 2.850 -1.033 2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.765 -0.063 1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.171 -0.487 3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.715 -1.528 2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.025 -1.340 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.862 -2.890 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.173 -2.690 1.307 1.00 0.00 H new ATOM 932 N THR A 65 2.755 -4.902 5.828 1.00 0.00 N ATOM 933 CA THR A 65 3.001 -6.019 6.724 1.00 0.00 C ATOM 934 C THR A 65 2.776 -7.346 5.997 1.00 0.00 C ATOM 935 O THR A 65 1.720 -7.562 5.404 1.00 0.00 O ATOM 936 CB THR A 65 2.111 -5.842 7.956 1.00 0.00 C ATOM 937 OG1 THR A 65 2.389 -4.516 8.397 1.00 0.00 O ATOM 938 CG2 THR A 65 2.549 -6.724 9.127 1.00 0.00 C ATOM 0 H THR A 65 2.000 -5.051 5.159 1.00 0.00 H new ATOM 0 HA THR A 65 4.039 -6.039 7.056 1.00 0.00 H new ATOM 0 HB THR A 65 1.079 -6.074 7.694 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.852 -4.317 9.192 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.884 -6.559 9.975 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.505 -7.772 8.830 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.570 -6.470 9.412 1.00 0.00 H new ATOM 946 N GLY A 66 3.786 -8.201 6.067 1.00 0.00 N ATOM 947 CA GLY A 66 3.711 -9.502 5.423 1.00 0.00 C ATOM 948 C GLY A 66 5.086 -9.941 4.915 1.00 0.00 C ATOM 949 O GLY A 66 6.106 -9.371 5.301 1.00 0.00 O ATOM 0 H GLY A 66 4.660 -8.019 6.560 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.327 -10.239 6.128 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.008 -9.460 4.591 1.00 0.00 H new ATOM 953 N THR A 67 5.069 -10.951 4.058 1.00 0.00 N ATOM 954 CA THR A 67 6.302 -11.474 3.493 1.00 0.00 C ATOM 955 C THR A 67 7.073 -10.364 2.776 1.00 0.00 C ATOM 956 O THR A 67 6.506 -9.324 2.445 1.00 0.00 O ATOM 957 CB THR A 67 5.943 -12.650 2.583 1.00 0.00 C ATOM 958 OG1 THR A 67 5.247 -12.048 1.495 1.00 0.00 O ATOM 959 CG2 THR A 67 4.910 -13.585 3.214 1.00 0.00 C ATOM 0 H THR A 67 4.221 -11.421 3.741 1.00 0.00 H new ATOM 0 HA THR A 67 6.971 -11.840 4.272 1.00 0.00 H new ATOM 0 HB THR A 67 6.846 -13.213 2.346 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.293 -12.265 1.556 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.691 -14.402 2.527 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.307 -13.990 4.145 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.995 -13.030 3.421 1.00 0.00 H new ATOM 967 N PRO A 68 8.388 -10.630 2.552 1.00 0.00 N ATOM 968 CA PRO A 68 9.242 -9.666 1.880 1.00 0.00 C ATOM 969 C PRO A 68 8.957 -9.633 0.378 1.00 0.00 C ATOM 970 O PRO A 68 9.027 -8.577 -0.248 1.00 0.00 O ATOM 971 CB PRO A 68 10.661 -10.104 2.206 1.00 0.00 C ATOM 972 CG PRO A 68 10.557 -11.552 2.655 1.00 0.00 C ATOM 973 CD PRO A 68 9.093 -11.851 2.930 1.00 0.00 C ATOM 0 HA PRO A 68 9.067 -8.644 2.215 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.309 -10.011 1.334 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.091 -9.482 2.991 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.945 -12.219 1.885 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.155 -11.718 3.551 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.747 -12.705 2.347 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.929 -12.094 3.980 1.00 0.00 H new ATOM 981 N GLU A 69 8.641 -10.803 -0.158 1.00 0.00 N ATOM 982 CA GLU A 69 8.345 -10.922 -1.576 1.00 0.00 C ATOM 983 C GLU A 69 6.978 -10.307 -1.885 1.00 0.00 C ATOM 984 O GLU A 69 6.689 -9.975 -3.034 1.00 0.00 O ATOM 985 CB GLU A 69 8.405 -12.382 -2.028 1.00 0.00 C ATOM 986 CG GLU A 69 9.577 -12.613 -2.983 1.00 0.00 C ATOM 987 CD GLU A 69 9.572 -14.045 -3.522 1.00 0.00 C ATOM 988 OE1 GLU A 69 8.781 -14.297 -4.456 1.00 0.00 O ATOM 989 OE2 GLU A 69 10.360 -14.855 -2.987 1.00 0.00 O ATOM 0 H GLU A 69 8.583 -11.677 0.364 1.00 0.00 H new ATOM 0 HA GLU A 69 9.104 -10.373 -2.134 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.506 -13.032 -1.159 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.471 -12.652 -2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.519 -11.908 -3.813 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.516 -12.419 -2.465 1.00 0.00 H new ATOM 996 N SER A 70 6.174 -10.176 -0.841 1.00 0.00 N ATOM 997 CA SER A 70 4.845 -9.607 -0.987 1.00 0.00 C ATOM 998 C SER A 70 4.909 -8.084 -0.852 1.00 0.00 C ATOM 999 O SER A 70 4.167 -7.366 -1.521 1.00 0.00 O ATOM 1000 CB SER A 70 3.879 -10.191 0.046 1.00 0.00 C ATOM 1001 OG SER A 70 3.613 -11.570 -0.192 1.00 0.00 O ATOM 0 H SER A 70 6.417 -10.454 0.110 1.00 0.00 H new ATOM 0 HA SER A 70 4.472 -9.862 -1.979 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.299 -10.070 1.044 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.943 -9.632 0.024 1.00 0.00 H new ATOM 0 HG SER A 70 4.434 -12.089 -0.060 1.00 0.00 H new ATOM 1007 N VAL A 71 5.803 -7.636 0.017 1.00 0.00 N ATOM 1008 CA VAL A 71 5.974 -6.212 0.248 1.00 0.00 C ATOM 1009 C VAL A 71 6.391 -5.534 -1.059 1.00 0.00 C ATOM 1010 O VAL A 71 5.839 -4.499 -1.429 1.00 0.00 O ATOM 1011 CB VAL A 71 6.972 -5.982 1.385 1.00 0.00 C ATOM 1012 CG1 VAL A 71 7.389 -4.512 1.460 1.00 0.00 C ATOM 1013 CG2 VAL A 71 6.399 -6.459 2.721 1.00 0.00 C ATOM 0 H VAL A 71 6.417 -8.234 0.570 1.00 0.00 H new ATOM 0 HA VAL A 71 5.033 -5.761 0.563 1.00 0.00 H new ATOM 0 HB VAL A 71 7.864 -6.572 1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.098 -4.376 2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.857 -4.218 0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.510 -3.893 1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.128 -6.284 3.513 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.484 -5.909 2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.176 -7.524 2.662 1.00 0.00 H new ATOM 1023 N GLN A 72 7.361 -6.146 -1.723 1.00 0.00 N ATOM 1024 CA GLN A 72 7.857 -5.614 -2.980 1.00 0.00 C ATOM 1025 C GLN A 72 6.772 -5.695 -4.056 1.00 0.00 C ATOM 1026 O GLN A 72 6.460 -4.697 -4.704 1.00 0.00 O ATOM 1027 CB GLN A 72 9.125 -6.349 -3.424 1.00 0.00 C ATOM 1028 CG GLN A 72 10.369 -5.494 -3.174 1.00 0.00 C ATOM 1029 CD GLN A 72 11.593 -6.092 -3.871 1.00 0.00 C ATOM 1030 OE1 GLN A 72 11.631 -7.259 -4.223 1.00 0.00 O ATOM 1031 NE2 GLN A 72 12.588 -5.228 -4.051 1.00 0.00 N ATOM 0 H GLN A 72 7.816 -7.005 -1.414 1.00 0.00 H new ATOM 0 HA GLN A 72 8.116 -4.566 -2.831 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.212 -7.291 -2.883 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.055 -6.595 -4.484 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.198 -4.481 -3.538 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.555 -5.421 -2.103 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.490 -4.264 -3.732 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.449 -5.529 -4.508 1.00 0.00 H new ATOM 1040 N SER A 73 6.227 -6.892 -4.213 1.00 0.00 N ATOM 1041 CA SER A 73 5.184 -7.116 -5.199 1.00 0.00 C ATOM 1042 C SER A 73 4.124 -6.017 -5.098 1.00 0.00 C ATOM 1043 O SER A 73 3.736 -5.429 -6.107 1.00 0.00 O ATOM 1044 CB SER A 73 4.540 -8.492 -5.018 1.00 0.00 C ATOM 1045 OG SER A 73 4.868 -9.379 -6.084 1.00 0.00 O ATOM 0 H SER A 73 6.488 -7.717 -3.674 1.00 0.00 H new ATOM 0 HA SER A 73 5.638 -7.085 -6.189 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.868 -8.924 -4.073 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.457 -8.381 -4.959 1.00 0.00 H new ATOM 0 HG SER A 73 4.440 -10.247 -5.931 1.00 0.00 H new ATOM 1051 N ALA A 74 3.686 -5.773 -3.872 1.00 0.00 N ATOM 1052 CA ALA A 74 2.679 -4.755 -3.626 1.00 0.00 C ATOM 1053 C ALA A 74 3.234 -3.387 -4.027 1.00 0.00 C ATOM 1054 O ALA A 74 2.572 -2.626 -4.731 1.00 0.00 O ATOM 1055 CB ALA A 74 2.251 -4.804 -2.158 1.00 0.00 C ATOM 0 H ALA A 74 4.010 -6.263 -3.038 1.00 0.00 H new ATOM 0 HA ALA A 74 1.791 -4.940 -4.230 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.496 -4.040 -1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.836 -5.786 -1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.116 -4.620 -1.521 1.00 0.00 H new ATOM 1061 N LYS A 75 4.444 -3.116 -3.561 1.00 0.00 N ATOM 1062 CA LYS A 75 5.096 -1.852 -3.862 1.00 0.00 C ATOM 1063 C LYS A 75 5.059 -1.611 -5.372 1.00 0.00 C ATOM 1064 O LYS A 75 4.673 -0.534 -5.823 1.00 0.00 O ATOM 1065 CB LYS A 75 6.506 -1.822 -3.269 1.00 0.00 C ATOM 1066 CG LYS A 75 6.471 -1.429 -1.791 1.00 0.00 C ATOM 1067 CD LYS A 75 7.627 -2.074 -1.024 1.00 0.00 C ATOM 1068 CE LYS A 75 8.962 -1.430 -1.401 1.00 0.00 C ATOM 1069 NZ LYS A 75 9.429 -1.934 -2.711 1.00 0.00 N ATOM 0 H LYS A 75 4.990 -3.750 -2.977 1.00 0.00 H new ATOM 0 HA LYS A 75 4.560 -1.026 -3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.971 -2.802 -3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.122 -1.114 -3.823 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.529 -0.344 -1.698 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.522 -1.737 -1.352 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.459 -1.971 0.048 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.660 -3.142 -1.240 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.851 -0.346 -1.440 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.706 -1.647 -0.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.457 -2.087 -2.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.952 -2.833 -2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.206 -1.237 -3.450 1.00 0.00 H new ATOM 1083 N ARG A 76 5.466 -2.632 -6.112 1.00 0.00 N ATOM 1084 CA ARG A 76 5.484 -2.545 -7.563 1.00 0.00 C ATOM 1085 C ARG A 76 4.113 -2.112 -8.086 1.00 0.00 C ATOM 1086 O ARG A 76 4.023 -1.389 -9.077 1.00 0.00 O ATOM 1087 CB ARG A 76 5.861 -3.888 -8.191 1.00 0.00 C ATOM 1088 CG ARG A 76 7.376 -4.005 -8.368 1.00 0.00 C ATOM 1089 CD ARG A 76 7.771 -3.840 -9.837 1.00 0.00 C ATOM 1090 NE ARG A 76 9.020 -4.585 -10.112 1.00 0.00 N ATOM 1091 CZ ARG A 76 9.595 -4.667 -11.319 1.00 0.00 C ATOM 1092 NH1 ARG A 76 9.037 -4.051 -12.371 1.00 0.00 N ATOM 1093 NH2 ARG A 76 10.728 -5.365 -11.476 1.00 0.00 N ATOM 0 H ARG A 76 5.786 -3.524 -5.734 1.00 0.00 H new ATOM 0 HA ARG A 76 6.233 -1.804 -7.841 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.501 -4.702 -7.561 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.369 -3.992 -9.158 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.876 -3.246 -7.766 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.714 -4.975 -8.003 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.971 -4.205 -10.481 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.909 -2.784 -10.069 1.00 0.00 H new ATOM 0 HE ARG A 76 9.471 -5.066 -9.334 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.174 -3.520 -12.252 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.475 -4.114 -13.290 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.153 -5.834 -10.676 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.165 -5.427 -12.395 1.00 0.00 H new ATOM 1107 N LEU A 77 3.080 -2.572 -7.396 1.00 0.00 N ATOM 1108 CA LEU A 77 1.718 -2.241 -7.778 1.00 0.00 C ATOM 1109 C LEU A 77 1.414 -0.799 -7.369 1.00 0.00 C ATOM 1110 O LEU A 77 0.773 -0.060 -8.116 1.00 0.00 O ATOM 1111 CB LEU A 77 0.736 -3.264 -7.202 1.00 0.00 C ATOM 1112 CG LEU A 77 0.709 -4.630 -7.890 1.00 0.00 C ATOM 1113 CD1 LEU A 77 0.265 -5.725 -6.918 1.00 0.00 C ATOM 1114 CD2 LEU A 77 -0.160 -4.593 -9.148 1.00 0.00 C ATOM 0 H LEU A 77 3.159 -3.171 -6.574 1.00 0.00 H new ATOM 0 HA LEU A 77 1.602 -2.297 -8.860 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.975 -3.414 -6.149 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.267 -2.839 -7.244 1.00 0.00 H new ATOM 0 HG LEU A 77 1.723 -4.873 -8.207 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.254 -6.686 -7.433 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.959 -5.770 -6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.736 -5.500 -6.549 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.162 -5.577 -9.618 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.180 -4.318 -8.878 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.241 -3.858 -9.846 1.00 0.00 H new ATOM 1126 N LEU A 78 1.888 -0.440 -6.185 1.00 0.00 N ATOM 1127 CA LEU A 78 1.675 0.901 -5.669 1.00 0.00 C ATOM 1128 C LEU A 78 2.420 1.906 -6.549 1.00 0.00 C ATOM 1129 O LEU A 78 1.803 2.775 -7.163 1.00 0.00 O ATOM 1130 CB LEU A 78 2.062 0.973 -4.190 1.00 0.00 C ATOM 1131 CG LEU A 78 1.206 0.143 -3.231 1.00 0.00 C ATOM 1132 CD1 LEU A 78 1.704 0.281 -1.791 1.00 0.00 C ATOM 1133 CD2 LEU A 78 -0.274 0.507 -3.363 1.00 0.00 C ATOM 0 H LEU A 78 2.419 -1.055 -5.568 1.00 0.00 H new ATOM 0 HA LEU A 78 0.618 1.162 -5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.099 0.652 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.019 2.015 -3.874 1.00 0.00 H new ATOM 0 HG LEU A 78 1.306 -0.907 -3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.078 -0.319 -1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.735 -0.066 -1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.654 1.327 -1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.860 -0.097 -2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.411 1.563 -3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.606 0.315 -4.383 1.00 0.00 H new ATOM 1145 N ASP A 79 3.736 1.754 -6.582 1.00 0.00 N ATOM 1146 CA ASP A 79 4.571 2.638 -7.377 1.00 0.00 C ATOM 1147 C ASP A 79 3.955 2.801 -8.768 1.00 0.00 C ATOM 1148 O ASP A 79 3.853 3.915 -9.279 1.00 0.00 O ATOM 1149 CB ASP A 79 5.978 2.061 -7.548 1.00 0.00 C ATOM 1150 CG ASP A 79 7.118 3.044 -7.276 1.00 0.00 C ATOM 1151 OD1 ASP A 79 6.895 4.251 -7.512 1.00 0.00 O ATOM 1152 OD2 ASP A 79 8.187 2.567 -6.839 1.00 0.00 O ATOM 0 H ASP A 79 4.244 1.032 -6.071 1.00 0.00 H new ATOM 0 HA ASP A 79 4.634 3.596 -6.861 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.088 1.207 -6.880 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.079 1.684 -8.566 1.00 0.00 H new ATOM 1157 N GLN A 80 3.561 1.673 -9.341 1.00 0.00 N ATOM 1158 CA GLN A 80 2.958 1.677 -10.663 1.00 0.00 C ATOM 1159 C GLN A 80 1.885 2.764 -10.754 1.00 0.00 C ATOM 1160 O GLN A 80 1.985 3.673 -11.577 1.00 0.00 O ATOM 1161 CB GLN A 80 2.377 0.303 -11.004 1.00 0.00 C ATOM 1162 CG GLN A 80 3.202 -0.386 -12.093 1.00 0.00 C ATOM 1163 CD GLN A 80 2.477 -0.341 -13.440 1.00 0.00 C ATOM 1164 OE1 GLN A 80 2.671 0.551 -14.249 1.00 0.00 O ATOM 1165 NE2 GLN A 80 1.635 -1.352 -13.635 1.00 0.00 N ATOM 0 H GLN A 80 3.648 0.751 -8.914 1.00 0.00 H new ATOM 0 HA GLN A 80 3.735 1.899 -11.395 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.357 -0.319 -10.109 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.346 0.413 -11.339 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.173 0.101 -12.182 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.390 -1.422 -11.811 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.520 -2.066 -12.916 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.104 -1.413 -14.504 1.00 0.00 H new ATOM 1174 N ILE A 81 0.883 2.635 -9.897 1.00 0.00 N ATOM 1175 CA ILE A 81 -0.208 3.595 -9.870 1.00 0.00 C ATOM 1176 C ILE A 81 0.358 5.007 -10.034 1.00 0.00 C ATOM 1177 O ILE A 81 -0.015 5.725 -10.960 1.00 0.00 O ATOM 1178 CB ILE A 81 -1.051 3.413 -8.607 1.00 0.00 C ATOM 1179 CG1 ILE A 81 -1.853 2.111 -8.666 1.00 0.00 C ATOM 1180 CG2 ILE A 81 -1.948 4.629 -8.366 1.00 0.00 C ATOM 1181 CD1 ILE A 81 -2.394 1.737 -7.285 1.00 0.00 C ATOM 0 H ILE A 81 0.803 1.880 -9.216 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.887 3.424 -10.705 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.376 3.337 -7.754 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.680 2.221 -9.367 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.221 1.307 -9.043 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.537 4.473 -7.462 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.330 5.519 -8.248 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.617 4.762 -9.216 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.960 0.808 -7.355 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.563 1.604 -6.592 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.045 2.532 -6.922 1.00 0.00 H new ATOM 1193 N VAL A 82 1.249 5.363 -9.120 1.00 0.00 N ATOM 1194 CA VAL A 82 1.869 6.676 -9.151 1.00 0.00 C ATOM 1195 C VAL A 82 2.425 6.939 -10.552 1.00 0.00 C ATOM 1196 O VAL A 82 2.043 7.910 -11.203 1.00 0.00 O ATOM 1197 CB VAL A 82 2.934 6.778 -8.057 1.00 0.00 C ATOM 1198 CG1 VAL A 82 3.703 8.096 -8.162 1.00 0.00 C ATOM 1199 CG2 VAL A 82 2.310 6.617 -6.669 1.00 0.00 C ATOM 0 H VAL A 82 1.556 4.764 -8.353 1.00 0.00 H new ATOM 0 HA VAL A 82 1.132 7.451 -8.942 1.00 0.00 H new ATOM 0 HB VAL A 82 3.644 5.964 -8.203 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.454 8.143 -7.373 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.194 8.155 -9.134 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.011 8.931 -8.054 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.088 6.693 -5.909 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.569 7.401 -6.510 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.828 5.642 -6.598 1.00 0.00 H new ATOM 1209 N GLU A 83 3.319 6.058 -10.975 1.00 0.00 N ATOM 1210 CA GLU A 83 3.932 6.182 -12.286 1.00 0.00 C ATOM 1211 C GLU A 83 2.856 6.350 -13.361 1.00 0.00 C ATOM 1212 O GLU A 83 2.900 7.295 -14.147 1.00 0.00 O ATOM 1213 CB GLU A 83 4.828 4.980 -12.590 1.00 0.00 C ATOM 1214 CG GLU A 83 5.871 5.328 -13.653 1.00 0.00 C ATOM 1215 CD GLU A 83 7.273 4.911 -13.203 1.00 0.00 C ATOM 1216 OE1 GLU A 83 7.382 3.798 -12.645 1.00 0.00 O ATOM 1217 OE2 GLU A 83 8.203 5.715 -13.427 1.00 0.00 O ATOM 0 H GLU A 83 3.634 5.254 -10.432 1.00 0.00 H new ATOM 0 HA GLU A 83 4.562 7.071 -12.288 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.328 4.655 -11.678 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.218 4.145 -12.934 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.622 4.828 -14.589 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.852 6.400 -13.849 1.00 0.00 H new ATOM 1224 N LYS A 84 1.914 5.418 -13.360 1.00 0.00 N ATOM 1225 CA LYS A 84 0.828 5.450 -14.325 1.00 0.00 C ATOM 1226 C LYS A 84 0.134 6.812 -14.260 1.00 0.00 C ATOM 1227 O LYS A 84 -0.536 7.217 -15.208 1.00 0.00 O ATOM 1228 CB LYS A 84 -0.117 4.267 -14.108 1.00 0.00 C ATOM 1229 CG LYS A 84 0.310 3.062 -14.949 1.00 0.00 C ATOM 1230 CD LYS A 84 -0.872 2.497 -15.738 1.00 0.00 C ATOM 1231 CE LYS A 84 -1.847 1.764 -14.815 1.00 0.00 C ATOM 1232 NZ LYS A 84 -2.767 0.913 -15.603 1.00 0.00 N ATOM 0 H LYS A 84 1.880 4.636 -12.706 1.00 0.00 H new ATOM 0 HA LYS A 84 1.215 5.337 -15.338 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.127 3.993 -13.053 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.134 4.557 -14.371 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.103 3.357 -15.636 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.721 2.289 -14.300 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.391 3.306 -16.252 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.508 1.813 -16.505 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.293 1.150 -14.105 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.419 2.487 -14.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.422 0.423 -14.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.309 1.506 -16.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.217 0.211 -16.139 1.00 0.00 H new ATOM 1246 N GLY A 85 0.319 7.481 -13.131 1.00 0.00 N ATOM 1247 CA GLY A 85 -0.281 8.789 -12.930 1.00 0.00 C ATOM 1248 C GLY A 85 0.773 9.818 -12.517 1.00 0.00 C ATOM 1249 O GLY A 85 0.635 10.473 -11.484 1.00 0.00 O ATOM 0 H GLY A 85 0.876 7.142 -12.346 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.771 9.113 -13.848 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.052 8.725 -12.163 1.00 0.00 H new ATOM 1253 N ARG A 86 1.802 9.929 -13.344 1.00 0.00 N ATOM 1254 CA ARG A 86 2.879 10.867 -13.077 1.00 0.00 C ATOM 1255 C ARG A 86 2.987 11.888 -14.212 1.00 0.00 C ATOM 1256 O ARG A 86 3.397 11.547 -15.321 1.00 0.00 O ATOM 1257 CB ARG A 86 4.217 10.141 -12.925 1.00 0.00 C ATOM 1258 CG ARG A 86 4.535 9.883 -11.451 1.00 0.00 C ATOM 1259 CD ARG A 86 5.521 10.922 -10.912 1.00 0.00 C ATOM 1260 NE ARG A 86 5.343 11.079 -9.451 1.00 0.00 N ATOM 1261 CZ ARG A 86 5.835 10.231 -8.539 1.00 0.00 C ATOM 1262 NH1 ARG A 86 6.539 9.160 -8.930 1.00 0.00 N ATOM 1263 NH2 ARG A 86 5.624 10.453 -7.234 1.00 0.00 N ATOM 0 H ARG A 86 1.913 9.385 -14.200 1.00 0.00 H new ATOM 0 HA ARG A 86 2.648 11.379 -12.143 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.185 9.195 -13.465 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.012 10.737 -13.373 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.615 9.912 -10.867 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.955 8.884 -11.335 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.543 10.613 -11.131 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.363 11.878 -11.411 1.00 0.00 H new ATOM 0 HE ARG A 86 4.812 11.884 -9.118 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.700 8.990 -9.923 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.914 8.514 -8.235 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.088 11.268 -6.935 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.999 9.807 -6.540 1.00 0.00 H new ATOM 1277 N SER A 87 2.612 13.118 -13.896 1.00 0.00 N ATOM 1278 CA SER A 87 2.661 14.191 -14.876 1.00 0.00 C ATOM 1279 C SER A 87 2.877 15.532 -14.173 1.00 0.00 C ATOM 1280 O SER A 87 1.916 16.204 -13.802 1.00 0.00 O ATOM 1281 CB SER A 87 1.382 14.230 -15.714 1.00 0.00 C ATOM 1282 OG SER A 87 1.640 13.988 -17.094 1.00 0.00 O ATOM 0 H SER A 87 2.273 13.396 -12.975 1.00 0.00 H new ATOM 0 HA SER A 87 3.498 14.002 -15.549 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.681 13.484 -15.340 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.903 15.203 -15.600 1.00 0.00 H new ATOM 0 HG SER A 87 1.333 13.088 -17.331 1.00 0.00 H new ATOM 1288 N GLY A 88 4.144 15.882 -14.010 1.00 0.00 N ATOM 1289 CA GLY A 88 4.499 17.131 -13.358 1.00 0.00 C ATOM 1290 C GLY A 88 4.860 18.204 -14.388 1.00 0.00 C ATOM 1291 O GLY A 88 4.085 19.131 -14.621 1.00 0.00 O ATOM 0 H GLY A 88 4.939 15.322 -14.319 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.666 17.475 -12.746 1.00 0.00 H new ATOM 0 HA3 GLY A 88 5.342 16.968 -12.687 1.00 0.00 H new ATOM 1295 N PRO A 89 6.067 18.038 -14.991 1.00 0.00 N ATOM 1296 CA PRO A 89 6.540 18.981 -15.990 1.00 0.00 C ATOM 1297 C PRO A 89 5.809 18.784 -17.320 1.00 0.00 C ATOM 1298 O PRO A 89 5.293 19.740 -17.896 1.00 0.00 O ATOM 1299 CB PRO A 89 8.035 18.730 -16.092 1.00 0.00 C ATOM 1300 CG PRO A 89 8.268 17.351 -15.494 1.00 0.00 C ATOM 1301 CD PRO A 89 7.010 16.952 -14.740 1.00 0.00 C ATOM 0 HA PRO A 89 6.341 20.017 -15.717 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.367 18.767 -17.129 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.597 19.491 -15.550 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.489 16.627 -16.278 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.127 17.366 -14.823 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.620 15.999 -15.097 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.207 16.837 -13.674 1.00 0.00 H new ATOM 1309 N SER A 90 5.789 17.537 -17.768 1.00 0.00 N ATOM 1310 CA SER A 90 5.130 17.202 -19.019 1.00 0.00 C ATOM 1311 C SER A 90 5.227 15.697 -19.275 1.00 0.00 C ATOM 1312 O SER A 90 6.319 15.132 -19.270 1.00 0.00 O ATOM 1313 CB SER A 90 5.739 17.980 -20.188 1.00 0.00 C ATOM 1314 OG SER A 90 7.102 17.629 -20.409 1.00 0.00 O ATOM 0 H SER A 90 6.218 16.747 -17.287 1.00 0.00 H new ATOM 0 HA SER A 90 4.080 17.483 -18.938 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.163 17.785 -21.093 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.667 19.049 -19.989 1.00 0.00 H new ATOM 0 HG SER A 90 7.281 16.749 -20.017 1.00 0.00 H new ATOM 1320 N SER A 91 4.069 15.091 -19.494 1.00 0.00 N ATOM 1321 CA SER A 91 4.009 13.662 -19.751 1.00 0.00 C ATOM 1322 C SER A 91 2.652 13.295 -20.353 1.00 0.00 C ATOM 1323 O SER A 91 1.769 12.806 -19.650 1.00 0.00 O ATOM 1324 CB SER A 91 4.257 12.861 -18.471 1.00 0.00 C ATOM 1325 OG SER A 91 3.888 11.492 -18.618 1.00 0.00 O ATOM 0 H SER A 91 3.165 15.564 -19.499 1.00 0.00 H new ATOM 0 HA SER A 91 4.795 13.409 -20.463 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.311 12.925 -18.202 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.691 13.303 -17.651 1.00 0.00 H new ATOM 0 HG SER A 91 2.918 11.426 -18.743 1.00 0.00 H new ATOM 1331 N GLY A 92 2.527 13.545 -21.648 1.00 0.00 N ATOM 1332 CA GLY A 92 1.292 13.246 -22.352 1.00 0.00 C ATOM 1333 C GLY A 92 0.767 14.482 -23.087 1.00 0.00 C ATOM 1334 O GLY A 92 1.207 15.600 -22.821 1.00 0.00 O ATOM 0 H GLY A 92 3.261 13.951 -22.228 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.462 12.439 -23.065 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.542 12.893 -21.644 1.00 0.00 H new TER 1338 GLY A 92