USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 882 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 57 GLN : amide:sc= 1.01 K(o=2.2,f=-2.7!) USER MOD Set 1.2: A 79 SER OG : rot -69:sc= 1.17 USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.11 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 42:sc= 0.142 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.351 K(o=-0.35,f=-2.7!) USER MOD Single : A 13 SER OG : rot 44:sc= 0.355 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot -160:sc= 0.0455 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.203 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot -176:sc= -2.21! USER MOD Single : A 47 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.1!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0215) USER MOD Single : A 53 CYS SG : rot -40:sc= -6.41! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -1.22 K(o=-1.2,f=-3.9!) USER MOD Single : A 66 SER OG : rot 4:sc= 0.3 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -3.42 K(o=-3.4,f=-9.9!) USER MOD Single : A 77 ASN : amide:sc= 0.0216 X(o=0.022,f=0) USER MOD Single : A 80 THR OG1 : rot -145:sc= 0.32 USER MOD Single : A 84 GLN : amide:sc= -0.021 K(o=-0.021,f=-0.66) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.184 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 6:sc= 1.2 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.293 -33.242 -7.004 1.00 0.00 N ATOM 2 CA GLY A 1 -33.347 -32.364 -6.339 1.00 0.00 C ATOM 3 C GLY A 1 -33.258 -31.013 -7.052 1.00 0.00 C ATOM 4 O GLY A 1 -33.833 -30.834 -8.124 1.00 0.00 O ATOM 0 H1 GLY A 1 -35.154 -33.325 -6.427 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.536 -32.848 -7.935 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.867 -34.183 -7.126 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.651 -32.213 -5.303 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.363 -32.833 -6.317 1.00 0.00 H new ATOM 8 N SER A 2 -32.534 -30.096 -6.426 1.00 0.00 N ATOM 9 CA SER A 2 -32.363 -28.767 -6.988 1.00 0.00 C ATOM 10 C SER A 2 -31.456 -27.930 -6.083 1.00 0.00 C ATOM 11 O SER A 2 -31.340 -28.204 -4.890 1.00 0.00 O ATOM 12 CB SER A 2 -33.713 -28.071 -7.176 1.00 0.00 C ATOM 13 OG SER A 2 -33.838 -27.492 -8.472 1.00 0.00 O ATOM 0 H SER A 2 -32.060 -30.247 -5.536 1.00 0.00 H new ATOM 0 HA SER A 2 -31.896 -28.867 -7.968 1.00 0.00 H new ATOM 0 HB2 SER A 2 -34.517 -28.791 -7.021 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.830 -27.295 -6.419 1.00 0.00 H new ATOM 0 HG SER A 2 -34.713 -27.059 -8.554 1.00 0.00 H new ATOM 19 N SER A 3 -30.837 -26.926 -6.687 1.00 0.00 N ATOM 20 CA SER A 3 -29.944 -26.047 -5.951 1.00 0.00 C ATOM 21 C SER A 3 -30.606 -24.684 -5.742 1.00 0.00 C ATOM 22 O SER A 3 -30.778 -24.240 -4.608 1.00 0.00 O ATOM 23 CB SER A 3 -28.608 -25.883 -6.680 1.00 0.00 C ATOM 24 OG SER A 3 -27.558 -26.602 -6.039 1.00 0.00 O ATOM 0 H SER A 3 -30.936 -26.702 -7.677 1.00 0.00 H new ATOM 0 HA SER A 3 -29.744 -26.499 -4.979 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.711 -26.231 -7.708 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.348 -24.826 -6.726 1.00 0.00 H new ATOM 0 HG SER A 3 -26.723 -26.473 -6.535 1.00 0.00 H new ATOM 30 N GLY A 4 -30.959 -24.057 -6.855 1.00 0.00 N ATOM 31 CA GLY A 4 -31.598 -22.753 -6.808 1.00 0.00 C ATOM 32 C GLY A 4 -30.638 -21.654 -7.270 1.00 0.00 C ATOM 33 O GLY A 4 -29.895 -21.838 -8.233 1.00 0.00 O ATOM 0 H GLY A 4 -30.815 -24.428 -7.794 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -32.485 -22.756 -7.442 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -31.933 -22.545 -5.792 1.00 0.00 H new ATOM 37 N SER A 5 -30.683 -20.536 -6.560 1.00 0.00 N ATOM 38 CA SER A 5 -29.827 -19.409 -6.884 1.00 0.00 C ATOM 39 C SER A 5 -28.364 -19.857 -6.926 1.00 0.00 C ATOM 40 O SER A 5 -27.802 -20.248 -5.905 1.00 0.00 O ATOM 41 CB SER A 5 -30.004 -18.273 -5.874 1.00 0.00 C ATOM 42 OG SER A 5 -29.926 -18.738 -4.529 1.00 0.00 O ATOM 0 H SER A 5 -31.300 -20.387 -5.761 1.00 0.00 H new ATOM 0 HA SER A 5 -30.115 -19.034 -7.866 1.00 0.00 H new ATOM 0 HB2 SER A 5 -29.237 -17.516 -6.041 1.00 0.00 H new ATOM 0 HB3 SER A 5 -30.968 -17.791 -6.036 1.00 0.00 H new ATOM 0 HG SER A 5 -29.202 -19.394 -4.451 1.00 0.00 H new ATOM 48 N SER A 6 -27.791 -19.786 -8.119 1.00 0.00 N ATOM 49 CA SER A 6 -26.405 -20.180 -8.307 1.00 0.00 C ATOM 50 C SER A 6 -25.533 -19.567 -7.210 1.00 0.00 C ATOM 51 O SER A 6 -25.320 -18.356 -7.186 1.00 0.00 O ATOM 52 CB SER A 6 -25.896 -19.760 -9.687 1.00 0.00 C ATOM 53 OG SER A 6 -24.689 -20.431 -10.038 1.00 0.00 O ATOM 0 H SER A 6 -28.261 -19.462 -8.964 1.00 0.00 H new ATOM 0 HA SER A 6 -26.347 -21.267 -8.243 1.00 0.00 H new ATOM 0 HB2 SER A 6 -26.660 -19.973 -10.435 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.729 -18.683 -9.699 1.00 0.00 H new ATOM 0 HG SER A 6 -24.398 -20.137 -10.926 1.00 0.00 H new ATOM 59 N GLY A 7 -25.051 -20.431 -6.329 1.00 0.00 N ATOM 60 CA GLY A 7 -24.207 -19.990 -5.232 1.00 0.00 C ATOM 61 C GLY A 7 -24.957 -19.017 -4.320 1.00 0.00 C ATOM 62 O GLY A 7 -25.723 -18.180 -4.794 1.00 0.00 O ATOM 0 H GLY A 7 -25.229 -21.435 -6.353 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.875 -20.853 -4.654 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.313 -19.508 -5.627 1.00 0.00 H new ATOM 66 N MET A 8 -24.710 -19.161 -3.026 1.00 0.00 N ATOM 67 CA MET A 8 -25.353 -18.306 -2.042 1.00 0.00 C ATOM 68 C MET A 8 -24.343 -17.351 -1.402 1.00 0.00 C ATOM 69 O MET A 8 -24.529 -16.136 -1.429 1.00 0.00 O ATOM 70 CB MET A 8 -25.997 -19.171 -0.957 1.00 0.00 C ATOM 71 CG MET A 8 -27.483 -19.395 -1.245 1.00 0.00 C ATOM 72 SD MET A 8 -27.737 -21.039 -1.893 1.00 0.00 S ATOM 73 CE MET A 8 -27.696 -21.980 -0.377 1.00 0.00 C ATOM 0 H MET A 8 -24.074 -19.857 -2.636 1.00 0.00 H new ATOM 0 HA MET A 8 -26.116 -17.713 -2.546 1.00 0.00 H new ATOM 0 HB2 MET A 8 -25.485 -20.132 -0.901 1.00 0.00 H new ATOM 0 HB3 MET A 8 -25.879 -18.690 0.014 1.00 0.00 H new ATOM 0 HG2 MET A 8 -28.063 -19.261 -0.332 1.00 0.00 H new ATOM 0 HG3 MET A 8 -27.839 -18.654 -1.961 1.00 0.00 H new ATOM 0 HE1 MET A 8 -27.840 -23.037 -0.601 1.00 0.00 H new ATOM 0 HE2 MET A 8 -26.732 -21.841 0.112 1.00 0.00 H new ATOM 0 HE3 MET A 8 -28.491 -21.638 0.285 1.00 0.00 H new ATOM 83 N SER A 9 -23.296 -17.938 -0.841 1.00 0.00 N ATOM 84 CA SER A 9 -22.256 -17.155 -0.195 1.00 0.00 C ATOM 85 C SER A 9 -21.595 -16.223 -1.213 1.00 0.00 C ATOM 86 O SER A 9 -21.482 -16.562 -2.389 1.00 0.00 O ATOM 87 CB SER A 9 -21.208 -18.060 0.455 1.00 0.00 C ATOM 88 OG SER A 9 -20.170 -17.311 1.080 1.00 0.00 O ATOM 0 H SER A 9 -23.145 -18.947 -0.820 1.00 0.00 H new ATOM 0 HA SER A 9 -22.717 -16.557 0.591 1.00 0.00 H new ATOM 0 HB2 SER A 9 -21.690 -18.699 1.195 1.00 0.00 H new ATOM 0 HB3 SER A 9 -20.777 -18.716 -0.301 1.00 0.00 H new ATOM 0 HG SER A 9 -19.522 -17.925 1.485 1.00 0.00 H new ATOM 94 N GLN A 10 -21.175 -15.066 -0.722 1.00 0.00 N ATOM 95 CA GLN A 10 -20.528 -14.082 -1.574 1.00 0.00 C ATOM 96 C GLN A 10 -19.866 -12.997 -0.723 1.00 0.00 C ATOM 97 O GLN A 10 -20.498 -11.997 -0.384 1.00 0.00 O ATOM 98 CB GLN A 10 -21.524 -13.473 -2.563 1.00 0.00 C ATOM 99 CG GLN A 10 -21.381 -14.110 -3.947 1.00 0.00 C ATOM 100 CD GLN A 10 -21.294 -13.039 -5.036 1.00 0.00 C ATOM 101 OE1 GLN A 10 -21.063 -11.870 -4.776 1.00 0.00 O ATOM 102 NE2 GLN A 10 -21.492 -13.502 -6.267 1.00 0.00 N ATOM 0 H GLN A 10 -21.270 -14.788 0.255 1.00 0.00 H new ATOM 0 HA GLN A 10 -19.753 -14.585 -2.153 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -22.540 -13.616 -2.196 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -21.360 -12.398 -2.635 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -20.488 -14.734 -3.974 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -22.232 -14.763 -4.141 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -21.681 -14.493 -6.415 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -21.455 -12.866 -7.063 1.00 0.00 H new ATOM 111 N LEU A 11 -18.602 -13.230 -0.402 1.00 0.00 N ATOM 112 CA LEU A 11 -17.848 -12.284 0.403 1.00 0.00 C ATOM 113 C LEU A 11 -17.116 -11.306 -0.519 1.00 0.00 C ATOM 114 O LEU A 11 -17.262 -10.092 -0.384 1.00 0.00 O ATOM 115 CB LEU A 11 -16.924 -13.023 1.373 1.00 0.00 C ATOM 116 CG LEU A 11 -17.612 -13.755 2.528 1.00 0.00 C ATOM 117 CD1 LEU A 11 -16.621 -14.648 3.278 1.00 0.00 C ATOM 118 CD2 LEU A 11 -18.314 -12.768 3.462 1.00 0.00 C ATOM 0 H LEU A 11 -18.081 -14.060 -0.685 1.00 0.00 H new ATOM 0 HA LEU A 11 -18.520 -11.694 1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -16.340 -13.748 0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -16.220 -12.304 1.792 1.00 0.00 H new ATOM 0 HG LEU A 11 -18.381 -14.406 2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -17.135 -15.157 4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -16.207 -15.388 2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -15.814 -14.037 3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -18.795 -13.314 4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -17.582 -12.074 3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -19.067 -12.211 2.904 1.00 0.00 H new ATOM 130 N GLY A 12 -16.343 -11.872 -1.434 1.00 0.00 N ATOM 131 CA GLY A 12 -15.588 -11.066 -2.378 1.00 0.00 C ATOM 132 C GLY A 12 -15.042 -11.925 -3.520 1.00 0.00 C ATOM 133 O GLY A 12 -15.580 -12.992 -3.810 1.00 0.00 O ATOM 0 H GLY A 12 -16.223 -12.879 -1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -16.226 -10.280 -2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.763 -10.573 -1.863 1.00 0.00 H new ATOM 137 N SER A 13 -13.980 -11.428 -4.136 1.00 0.00 N ATOM 138 CA SER A 13 -13.355 -12.137 -5.240 1.00 0.00 C ATOM 139 C SER A 13 -11.965 -11.558 -5.515 1.00 0.00 C ATOM 140 O SER A 13 -11.679 -10.420 -5.146 1.00 0.00 O ATOM 141 CB SER A 13 -14.218 -12.065 -6.501 1.00 0.00 C ATOM 142 OG SER A 13 -15.008 -13.238 -6.676 1.00 0.00 O ATOM 0 H SER A 13 -13.536 -10.543 -3.892 1.00 0.00 H new ATOM 0 HA SER A 13 -13.256 -13.186 -4.959 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.871 -11.194 -6.444 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.577 -11.927 -7.372 1.00 0.00 H new ATOM 0 HG SER A 13 -15.410 -13.492 -5.819 1.00 0.00 H new ATOM 148 N ARG A 14 -11.139 -12.368 -6.160 1.00 0.00 N ATOM 149 CA ARG A 14 -9.786 -11.950 -6.488 1.00 0.00 C ATOM 150 C ARG A 14 -9.008 -11.621 -5.212 1.00 0.00 C ATOM 151 O ARG A 14 -9.600 -11.441 -4.149 1.00 0.00 O ATOM 152 CB ARG A 14 -9.795 -10.723 -7.402 1.00 0.00 C ATOM 153 CG ARG A 14 -9.909 -11.135 -8.871 1.00 0.00 C ATOM 154 CD ARG A 14 -8.668 -10.709 -9.658 1.00 0.00 C ATOM 155 NE ARG A 14 -8.372 -11.702 -10.714 1.00 0.00 N ATOM 156 CZ ARG A 14 -7.569 -11.469 -11.761 1.00 0.00 C ATOM 157 NH1 ARG A 14 -6.977 -10.275 -11.898 1.00 0.00 N ATOM 158 NH2 ARG A 14 -7.358 -12.430 -12.671 1.00 0.00 N ATOM 0 H ARG A 14 -11.380 -13.311 -6.464 1.00 0.00 H new ATOM 0 HA ARG A 14 -9.302 -12.775 -7.011 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -10.629 -10.074 -7.137 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -8.882 -10.147 -7.252 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -10.035 -12.215 -8.941 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.797 -10.682 -9.312 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.830 -9.728 -10.105 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.815 -10.616 -8.986 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.807 -12.622 -10.640 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.138 -9.544 -11.205 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.366 -10.097 -12.695 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.809 -13.339 -12.567 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.747 -12.252 -13.468 1.00 0.00 H new ATOM 172 N GLY A 15 -7.693 -11.553 -5.360 1.00 0.00 N ATOM 173 CA GLY A 15 -6.828 -11.250 -4.233 1.00 0.00 C ATOM 174 C GLY A 15 -7.149 -9.871 -3.652 1.00 0.00 C ATOM 175 O GLY A 15 -8.018 -9.165 -4.161 1.00 0.00 O ATOM 0 H GLY A 15 -7.206 -11.703 -6.244 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.949 -12.011 -3.462 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.786 -11.281 -4.551 1.00 0.00 H new ATOM 179 N ARG A 16 -6.429 -9.529 -2.593 1.00 0.00 N ATOM 180 CA ARG A 16 -6.626 -8.247 -1.937 1.00 0.00 C ATOM 181 C ARG A 16 -5.277 -7.585 -1.650 1.00 0.00 C ATOM 182 O ARG A 16 -4.389 -8.205 -1.066 1.00 0.00 O ATOM 183 CB ARG A 16 -7.395 -8.413 -0.625 1.00 0.00 C ATOM 184 CG ARG A 16 -8.614 -9.318 -0.814 1.00 0.00 C ATOM 185 CD ARG A 16 -9.798 -8.531 -1.381 1.00 0.00 C ATOM 186 NE ARG A 16 -11.064 -9.033 -0.801 1.00 0.00 N ATOM 187 CZ ARG A 16 -12.211 -8.342 -0.791 1.00 0.00 C ATOM 188 NH1 ARG A 16 -12.260 -7.116 -1.329 1.00 0.00 N ATOM 189 NH2 ARG A 16 -13.311 -8.876 -0.242 1.00 0.00 N ATOM 0 H ARG A 16 -5.709 -10.117 -2.173 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.208 -7.616 -2.609 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.738 -8.836 0.135 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.715 -7.437 -0.261 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.362 -10.138 -1.487 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.893 -9.763 0.141 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.681 -7.471 -1.157 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.823 -8.627 -2.467 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.063 -9.963 -0.383 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.423 -6.708 -1.747 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.134 -6.590 -1.321 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.275 -9.809 0.168 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.184 -8.349 -0.235 1.00 0.00 H new ATOM 203 N LEU A 17 -5.166 -6.335 -2.073 1.00 0.00 N ATOM 204 CA LEU A 17 -3.940 -5.582 -1.868 1.00 0.00 C ATOM 205 C LEU A 17 -3.918 -5.029 -0.442 1.00 0.00 C ATOM 206 O LEU A 17 -4.952 -4.620 0.085 1.00 0.00 O ATOM 207 CB LEU A 17 -3.785 -4.507 -2.947 1.00 0.00 C ATOM 208 CG LEU A 17 -3.463 -5.012 -4.355 1.00 0.00 C ATOM 209 CD1 LEU A 17 -4.102 -4.116 -5.417 1.00 0.00 C ATOM 210 CD2 LEU A 17 -1.952 -5.150 -4.555 1.00 0.00 C ATOM 0 H LEU A 17 -5.905 -5.824 -2.557 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.072 -6.233 -1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.708 -3.930 -2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.995 -3.822 -2.639 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.895 -6.006 -4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.858 -4.497 -6.409 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.184 -4.112 -5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.720 -3.100 -5.314 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.750 -5.510 -5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.476 -4.179 -4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.552 -5.859 -3.830 1.00 0.00 H new ATOM 222 N TRP A 18 -2.729 -5.034 0.143 1.00 0.00 N ATOM 223 CA TRP A 18 -2.559 -4.539 1.498 1.00 0.00 C ATOM 224 C TRP A 18 -1.063 -4.332 1.741 1.00 0.00 C ATOM 225 O TRP A 18 -0.233 -5.027 1.157 1.00 0.00 O ATOM 226 CB TRP A 18 -3.205 -5.484 2.513 1.00 0.00 C ATOM 227 CG TRP A 18 -2.772 -6.944 2.366 1.00 0.00 C ATOM 228 CD1 TRP A 18 -3.375 -7.918 1.670 1.00 0.00 C ATOM 229 CD2 TRP A 18 -1.611 -7.560 2.961 1.00 0.00 C ATOM 230 NE1 TRP A 18 -2.690 -9.111 1.772 1.00 0.00 N ATOM 231 CE2 TRP A 18 -1.583 -8.887 2.583 1.00 0.00 C ATOM 232 CE3 TRP A 18 -0.616 -7.015 3.792 1.00 0.00 C ATOM 233 CZ2 TRP A 18 -0.583 -9.779 2.987 1.00 0.00 C ATOM 234 CZ3 TRP A 18 0.377 -7.919 4.188 1.00 0.00 C ATOM 235 CH2 TRP A 18 0.419 -9.258 3.815 1.00 0.00 C ATOM 0 H TRP A 18 -1.874 -5.373 -0.297 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.068 -3.584 1.626 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.961 -5.143 3.519 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.289 -5.425 2.411 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.283 -7.785 1.101 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.948 -9.995 1.333 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.618 -5.980 4.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.584 -10.814 2.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.165 -7.551 4.828 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.221 -9.893 4.162 1.00 0.00 H new ATOM 246 N LEU A 19 -0.763 -3.373 2.605 1.00 0.00 N ATOM 247 CA LEU A 19 0.619 -3.066 2.933 1.00 0.00 C ATOM 248 C LEU A 19 1.032 -3.860 4.175 1.00 0.00 C ATOM 249 O LEU A 19 0.206 -4.135 5.043 1.00 0.00 O ATOM 250 CB LEU A 19 0.813 -1.555 3.077 1.00 0.00 C ATOM 251 CG LEU A 19 0.204 -0.693 1.969 1.00 0.00 C ATOM 252 CD1 LEU A 19 0.181 -1.446 0.638 1.00 0.00 C ATOM 253 CD2 LEU A 19 -1.185 -0.189 2.367 1.00 0.00 C ATOM 0 H LEU A 19 -1.454 -2.798 3.088 1.00 0.00 H new ATOM 0 HA LEU A 19 1.280 -3.373 2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.385 -1.243 4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.882 -1.349 3.125 1.00 0.00 H new ATOM 0 HG LEU A 19 0.837 0.183 1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.257 -0.811 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.199 -1.713 0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.416 -2.352 0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.595 0.421 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.842 -1.039 2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.108 0.411 3.274 1.00 0.00 H new ATOM 265 N GLN A 20 2.310 -4.205 4.218 1.00 0.00 N ATOM 266 CA GLN A 20 2.843 -4.962 5.339 1.00 0.00 C ATOM 267 C GLN A 20 3.807 -4.096 6.153 1.00 0.00 C ATOM 268 O GLN A 20 4.980 -3.972 5.806 1.00 0.00 O ATOM 269 CB GLN A 20 3.529 -6.242 4.859 1.00 0.00 C ATOM 270 CG GLN A 20 3.605 -7.278 5.983 1.00 0.00 C ATOM 271 CD GLN A 20 4.289 -8.559 5.502 1.00 0.00 C ATOM 272 OE1 GLN A 20 5.472 -8.589 5.205 1.00 0.00 O ATOM 273 NE2 GLN A 20 3.480 -9.614 5.442 1.00 0.00 N ATOM 0 H GLN A 20 2.992 -3.975 3.495 1.00 0.00 H new ATOM 0 HA GLN A 20 2.013 -5.253 5.983 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.981 -6.657 4.013 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.533 -6.010 4.505 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.154 -6.863 6.828 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.601 -7.509 6.338 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.499 -9.520 5.705 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.841 -10.517 5.133 1.00 0.00 H new ATOM 282 N SER A 21 3.275 -3.520 7.221 1.00 0.00 N ATOM 283 CA SER A 21 4.073 -2.669 8.088 1.00 0.00 C ATOM 284 C SER A 21 5.132 -3.505 8.809 1.00 0.00 C ATOM 285 O SER A 21 4.891 -4.662 9.147 1.00 0.00 O ATOM 286 CB SER A 21 3.193 -1.937 9.103 1.00 0.00 C ATOM 287 OG SER A 21 2.083 -2.729 9.518 1.00 0.00 O ATOM 0 H SER A 21 2.301 -3.626 7.506 1.00 0.00 H new ATOM 0 HA SER A 21 4.568 -1.920 7.471 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.791 -1.667 9.973 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.831 -1.007 8.665 1.00 0.00 H new ATOM 0 HG SER A 21 1.391 -2.149 9.898 1.00 0.00 H new ATOM 293 N PRO A 22 6.314 -2.868 9.030 1.00 0.00 N ATOM 294 CA PRO A 22 7.411 -3.540 9.705 1.00 0.00 C ATOM 295 C PRO A 22 7.148 -3.646 11.208 1.00 0.00 C ATOM 296 O PRO A 22 6.566 -2.741 11.805 1.00 0.00 O ATOM 297 CB PRO A 22 8.642 -2.713 9.374 1.00 0.00 C ATOM 298 CG PRO A 22 8.124 -1.359 8.917 1.00 0.00 C ATOM 299 CD PRO A 22 6.635 -1.498 8.643 1.00 0.00 C ATOM 0 HA PRO A 22 7.540 -4.571 9.375 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.289 -2.610 10.245 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.234 -3.189 8.592 1.00 0.00 H new ATOM 0 HG2 PRO A 22 8.302 -0.604 9.682 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.649 -1.033 8.019 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.057 -0.777 9.221 1.00 0.00 H new ATOM 0 HD3 PRO A 22 6.407 -1.320 7.592 1.00 0.00 H new ATOM 307 N THR A 23 7.589 -4.758 11.777 1.00 0.00 N ATOM 308 CA THR A 23 7.408 -4.993 13.200 1.00 0.00 C ATOM 309 C THR A 23 5.951 -5.350 13.500 1.00 0.00 C ATOM 310 O THR A 23 5.124 -5.416 12.592 1.00 0.00 O ATOM 311 CB THR A 23 7.897 -3.752 13.950 1.00 0.00 C ATOM 312 OG1 THR A 23 8.707 -4.277 14.998 1.00 0.00 O ATOM 313 CG2 THR A 23 6.766 -3.027 14.681 1.00 0.00 C ATOM 0 H THR A 23 8.071 -5.506 11.279 1.00 0.00 H new ATOM 0 HA THR A 23 7.995 -5.847 13.538 1.00 0.00 H new ATOM 0 HB THR A 23 8.373 -3.067 13.248 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.067 -3.540 15.534 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.167 -2.154 15.197 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.013 -2.709 13.961 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.312 -3.701 15.407 1.00 0.00 H new ATOM 321 N GLY A 24 5.681 -5.571 14.779 1.00 0.00 N ATOM 322 CA GLY A 24 4.338 -5.920 15.210 1.00 0.00 C ATOM 323 C GLY A 24 3.460 -4.672 15.333 1.00 0.00 C ATOM 324 O GLY A 24 2.684 -4.545 16.278 1.00 0.00 O ATOM 0 H GLY A 24 6.369 -5.515 15.530 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.892 -6.614 14.497 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.382 -6.434 16.170 1.00 0.00 H new ATOM 328 N GLY A 25 3.613 -3.783 14.362 1.00 0.00 N ATOM 329 CA GLY A 25 2.844 -2.550 14.349 1.00 0.00 C ATOM 330 C GLY A 25 1.351 -2.837 14.176 1.00 0.00 C ATOM 331 O GLY A 25 0.821 -3.772 14.774 1.00 0.00 O ATOM 0 H GLY A 25 4.258 -3.892 13.579 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.008 -2.005 15.279 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.191 -1.909 13.538 1.00 0.00 H new ATOM 335 N PRO A 26 0.698 -1.994 13.333 1.00 0.00 N ATOM 336 CA PRO A 26 -0.724 -2.147 13.073 1.00 0.00 C ATOM 337 C PRO A 26 -0.986 -3.334 12.145 1.00 0.00 C ATOM 338 O PRO A 26 -0.051 -3.925 11.607 1.00 0.00 O ATOM 339 CB PRO A 26 -1.161 -0.819 12.478 1.00 0.00 C ATOM 340 CG PRO A 26 0.111 -0.140 11.996 1.00 0.00 C ATOM 341 CD PRO A 26 1.293 -0.875 12.607 1.00 0.00 C ATOM 0 HA PRO A 26 -1.295 -2.370 13.974 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.859 -0.971 11.655 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.673 -0.207 13.221 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.168 -0.164 10.908 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.119 0.909 12.292 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.983 -1.223 11.838 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.861 -0.227 13.275 1.00 0.00 H new ATOM 349 N PRO A 27 -2.297 -3.657 11.980 1.00 0.00 N ATOM 350 CA PRO A 27 -2.695 -4.763 11.126 1.00 0.00 C ATOM 351 C PRO A 27 -2.566 -4.387 9.648 1.00 0.00 C ATOM 352 O PRO A 27 -2.278 -3.238 9.319 1.00 0.00 O ATOM 353 CB PRO A 27 -4.123 -5.083 11.535 1.00 0.00 C ATOM 354 CG PRO A 27 -4.631 -3.854 12.272 1.00 0.00 C ATOM 355 CD PRO A 27 -3.432 -2.979 12.602 1.00 0.00 C ATOM 0 HA PRO A 27 -2.056 -5.638 11.245 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.740 -5.298 10.663 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.158 -5.964 12.175 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.344 -3.307 11.656 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.154 -4.144 13.183 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.556 -1.971 12.207 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.295 -2.884 13.679 1.00 0.00 H new ATOM 363 N PRO A 28 -2.792 -5.406 8.775 1.00 0.00 N ATOM 364 CA PRO A 28 -2.704 -5.194 7.340 1.00 0.00 C ATOM 365 C PRO A 28 -3.926 -4.433 6.822 1.00 0.00 C ATOM 366 O PRO A 28 -5.037 -4.962 6.823 1.00 0.00 O ATOM 367 CB PRO A 28 -2.575 -6.587 6.745 1.00 0.00 C ATOM 368 CG PRO A 28 -3.060 -7.546 7.819 1.00 0.00 C ATOM 369 CD PRO A 28 -3.135 -6.780 9.129 1.00 0.00 C ATOM 0 HA PRO A 28 -1.853 -4.574 7.057 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.173 -6.681 5.839 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -1.542 -6.800 6.469 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.038 -7.950 7.557 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.379 -8.393 7.910 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.132 -6.839 9.566 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.440 -7.185 9.865 1.00 0.00 H new ATOM 377 N ILE A 29 -3.680 -3.205 6.392 1.00 0.00 N ATOM 378 CA ILE A 29 -4.747 -2.366 5.873 1.00 0.00 C ATOM 379 C ILE A 29 -5.046 -2.765 4.427 1.00 0.00 C ATOM 380 O ILE A 29 -4.217 -2.564 3.540 1.00 0.00 O ATOM 381 CB ILE A 29 -4.396 -0.886 6.042 1.00 0.00 C ATOM 382 CG1 ILE A 29 -4.390 -0.490 7.520 1.00 0.00 C ATOM 383 CG2 ILE A 29 -5.332 -0.002 5.216 1.00 0.00 C ATOM 384 CD1 ILE A 29 -2.959 -0.381 8.053 1.00 0.00 C ATOM 0 H ILE A 29 -2.757 -2.770 6.392 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.663 -2.520 6.443 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.387 -0.729 5.662 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.903 0.464 7.647 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.943 -1.229 8.100 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.060 1.045 5.354 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.243 -0.264 4.162 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.360 -0.156 5.543 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.983 -0.098 9.105 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.457 -1.343 7.947 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.416 0.376 7.486 1.00 0.00 H new ATOM 396 N PHE A 30 -6.231 -3.324 4.233 1.00 0.00 N ATOM 397 CA PHE A 30 -6.649 -3.753 2.910 1.00 0.00 C ATOM 398 C PHE A 30 -7.300 -2.602 2.140 1.00 0.00 C ATOM 399 O PHE A 30 -8.412 -2.186 2.461 1.00 0.00 O ATOM 400 CB PHE A 30 -7.680 -4.867 3.106 1.00 0.00 C ATOM 401 CG PHE A 30 -7.135 -6.099 3.830 1.00 0.00 C ATOM 402 CD1 PHE A 30 -7.148 -6.151 5.189 1.00 0.00 C ATOM 403 CD2 PHE A 30 -6.637 -7.143 3.115 1.00 0.00 C ATOM 404 CE1 PHE A 30 -6.642 -7.295 5.861 1.00 0.00 C ATOM 405 CE2 PHE A 30 -6.131 -8.287 3.787 1.00 0.00 C ATOM 406 CZ PHE A 30 -6.144 -8.339 5.146 1.00 0.00 C ATOM 0 H PHE A 30 -6.915 -3.490 4.971 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.785 -4.093 2.339 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.525 -4.471 3.670 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.062 -5.170 2.131 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.543 -5.322 5.757 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.626 -7.102 2.036 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.653 -7.336 6.940 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.736 -9.116 3.219 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.759 -9.209 5.657 1.00 0.00 H new ATOM 416 N LEU A 31 -6.579 -2.120 1.138 1.00 0.00 N ATOM 417 CA LEU A 31 -7.071 -1.026 0.320 1.00 0.00 C ATOM 418 C LEU A 31 -8.349 -1.466 -0.397 1.00 0.00 C ATOM 419 O LEU A 31 -8.625 -2.660 -0.505 1.00 0.00 O ATOM 420 CB LEU A 31 -5.976 -0.528 -0.625 1.00 0.00 C ATOM 421 CG LEU A 31 -4.544 -0.603 -0.091 1.00 0.00 C ATOM 422 CD1 LEU A 31 -3.578 0.155 -1.004 1.00 0.00 C ATOM 423 CD2 LEU A 31 -4.472 -0.110 1.355 1.00 0.00 C ATOM 0 H LEU A 31 -5.657 -2.468 0.875 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.333 -0.172 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.029 -1.106 -1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.192 0.508 -0.885 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.234 -1.648 -0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.567 0.086 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.602 -0.282 -2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.876 1.202 -1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.444 -0.174 1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.809 0.925 1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.112 -0.730 1.983 1.00 0.00 H new ATOM 435 N PRO A 32 -9.115 -0.451 -0.882 1.00 0.00 N ATOM 436 CA PRO A 32 -10.357 -0.722 -1.586 1.00 0.00 C ATOM 437 C PRO A 32 -10.084 -1.238 -3.000 1.00 0.00 C ATOM 438 O PRO A 32 -9.088 -0.867 -3.619 1.00 0.00 O ATOM 439 CB PRO A 32 -11.113 0.597 -1.570 1.00 0.00 C ATOM 440 CG PRO A 32 -10.076 1.668 -1.272 1.00 0.00 C ATOM 441 CD PRO A 32 -8.819 0.974 -0.773 1.00 0.00 C ATOM 0 HA PRO A 32 -10.946 -1.509 -1.115 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.599 0.780 -2.528 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -11.896 0.589 -0.811 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.860 2.250 -2.168 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.451 2.364 -0.522 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.951 1.245 -1.374 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.594 1.254 0.256 1.00 0.00 H new ATOM 449 N SER A 33 -10.987 -2.086 -3.470 1.00 0.00 N ATOM 450 CA SER A 33 -10.857 -2.657 -4.800 1.00 0.00 C ATOM 451 C SER A 33 -11.736 -1.889 -5.788 1.00 0.00 C ATOM 452 O SER A 33 -11.499 -1.925 -6.995 1.00 0.00 O ATOM 453 CB SER A 33 -11.229 -4.141 -4.801 1.00 0.00 C ATOM 454 OG SER A 33 -10.960 -4.758 -6.057 1.00 0.00 O ATOM 0 H SER A 33 -11.812 -2.392 -2.953 1.00 0.00 H new ATOM 0 HA SER A 33 -9.815 -2.571 -5.108 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.672 -4.655 -4.018 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.287 -4.250 -4.563 1.00 0.00 H new ATOM 0 HG SER A 33 -11.210 -5.705 -6.016 1.00 0.00 H new ATOM 460 N ASP A 34 -12.734 -1.210 -5.240 1.00 0.00 N ATOM 461 CA ASP A 34 -13.650 -0.434 -6.058 1.00 0.00 C ATOM 462 C ASP A 34 -12.854 0.571 -6.893 1.00 0.00 C ATOM 463 O ASP A 34 -13.240 0.895 -8.015 1.00 0.00 O ATOM 464 CB ASP A 34 -14.636 0.348 -5.189 1.00 0.00 C ATOM 465 CG ASP A 34 -15.433 -0.497 -4.193 1.00 0.00 C ATOM 466 OD1 ASP A 34 -15.690 -1.674 -4.526 1.00 0.00 O ATOM 467 OD2 ASP A 34 -15.766 0.053 -3.122 1.00 0.00 O ATOM 0 H ASP A 34 -12.928 -1.182 -4.239 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.201 -1.125 -6.696 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.085 1.110 -4.637 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.336 0.870 -5.841 1.00 0.00 H new ATOM 472 N GLY A 35 -11.758 1.037 -6.313 1.00 0.00 N ATOM 473 CA GLY A 35 -10.905 1.999 -6.990 1.00 0.00 C ATOM 474 C GLY A 35 -10.592 3.190 -6.081 1.00 0.00 C ATOM 475 O GLY A 35 -9.766 4.035 -6.421 1.00 0.00 O ATOM 0 H GLY A 35 -11.441 0.766 -5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.977 1.516 -7.295 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.395 2.349 -7.898 1.00 0.00 H new ATOM 479 N GLN A 36 -11.269 3.217 -4.942 1.00 0.00 N ATOM 480 CA GLN A 36 -11.074 4.290 -3.982 1.00 0.00 C ATOM 481 C GLN A 36 -9.581 4.514 -3.732 1.00 0.00 C ATOM 482 O GLN A 36 -8.743 3.790 -4.267 1.00 0.00 O ATOM 483 CB GLN A 36 -11.811 3.995 -2.673 1.00 0.00 C ATOM 484 CG GLN A 36 -13.182 4.673 -2.652 1.00 0.00 C ATOM 485 CD GLN A 36 -13.936 4.344 -1.362 1.00 0.00 C ATOM 486 OE1 GLN A 36 -13.914 5.086 -0.393 1.00 0.00 O ATOM 487 NE2 GLN A 36 -14.603 3.194 -1.402 1.00 0.00 N ATOM 0 H GLN A 36 -11.953 2.513 -4.663 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.494 5.205 -4.399 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.932 2.918 -2.554 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.216 4.344 -1.829 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.059 5.752 -2.741 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.766 4.347 -3.512 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.580 2.620 -2.245 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.138 2.886 -0.590 1.00 0.00 H new ATOM 496 N ALA A 37 -9.295 5.519 -2.917 1.00 0.00 N ATOM 497 CA ALA A 37 -7.917 5.847 -2.590 1.00 0.00 C ATOM 498 C ALA A 37 -7.770 5.952 -1.070 1.00 0.00 C ATOM 499 O ALA A 37 -8.430 6.773 -0.434 1.00 0.00 O ATOM 500 CB ALA A 37 -7.516 7.139 -3.305 1.00 0.00 C ATOM 0 H ALA A 37 -9.993 6.116 -2.474 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.243 5.062 -2.934 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.483 7.385 -3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.611 7.003 -4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.168 7.951 -2.983 1.00 0.00 H new ATOM 506 N LEU A 38 -6.901 5.109 -0.532 1.00 0.00 N ATOM 507 CA LEU A 38 -6.659 5.096 0.900 1.00 0.00 C ATOM 508 C LEU A 38 -5.494 6.034 1.224 1.00 0.00 C ATOM 509 O LEU A 38 -4.336 5.698 0.978 1.00 0.00 O ATOM 510 CB LEU A 38 -6.452 3.664 1.396 1.00 0.00 C ATOM 511 CG LEU A 38 -6.894 3.382 2.834 1.00 0.00 C ATOM 512 CD1 LEU A 38 -8.350 3.795 3.051 1.00 0.00 C ATOM 513 CD2 LEU A 38 -6.652 1.917 3.204 1.00 0.00 C ATOM 0 H LEU A 38 -6.356 4.430 -1.063 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.530 5.471 1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.992 2.989 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.394 3.419 1.308 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.285 3.988 3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.638 3.584 4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.459 4.862 2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.992 3.234 2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.974 1.743 4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.219 1.273 2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.590 1.690 3.114 1.00 0.00 H new ATOM 525 N VAL A 39 -5.840 7.189 1.771 1.00 0.00 N ATOM 526 CA VAL A 39 -4.837 8.177 2.131 1.00 0.00 C ATOM 527 C VAL A 39 -4.117 7.726 3.404 1.00 0.00 C ATOM 528 O VAL A 39 -4.750 7.517 4.438 1.00 0.00 O ATOM 529 CB VAL A 39 -5.487 9.556 2.268 1.00 0.00 C ATOM 530 CG1 VAL A 39 -4.796 10.382 3.355 1.00 0.00 C ATOM 531 CG2 VAL A 39 -5.484 10.299 0.931 1.00 0.00 C ATOM 0 H VAL A 39 -6.801 7.463 1.974 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.086 8.263 1.346 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.525 9.409 2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.277 11.357 3.432 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.873 9.863 4.310 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.745 10.515 3.098 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.951 11.276 1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.457 10.429 0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.041 9.722 0.193 1.00 0.00 H new ATOM 541 N LEU A 40 -2.805 7.590 3.286 1.00 0.00 N ATOM 542 CA LEU A 40 -1.992 7.168 4.414 1.00 0.00 C ATOM 543 C LEU A 40 -1.401 8.401 5.101 1.00 0.00 C ATOM 544 O LEU A 40 -1.576 9.523 4.629 1.00 0.00 O ATOM 545 CB LEU A 40 -0.941 6.151 3.966 1.00 0.00 C ATOM 546 CG LEU A 40 -0.979 4.793 4.669 1.00 0.00 C ATOM 547 CD1 LEU A 40 -2.244 4.018 4.295 1.00 0.00 C ATOM 548 CD2 LEU A 40 0.291 3.990 4.381 1.00 0.00 C ATOM 0 H LEU A 40 -2.284 7.765 2.426 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.605 6.653 5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.057 5.987 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.046 6.588 4.116 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.013 4.966 5.745 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.247 3.056 4.808 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.123 4.590 4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.265 3.854 3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.238 3.029 4.893 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.381 3.825 3.307 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.160 4.543 4.737 1.00 0.00 H new ATOM 560 N GLY A 41 -0.714 8.151 6.206 1.00 0.00 N ATOM 561 CA GLY A 41 -0.097 9.226 6.963 1.00 0.00 C ATOM 562 C GLY A 41 -0.151 8.941 8.466 1.00 0.00 C ATOM 563 O GLY A 41 -0.157 7.783 8.881 1.00 0.00 O ATOM 0 H GLY A 41 -0.571 7.219 6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.940 9.348 6.649 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.607 10.165 6.749 1.00 0.00 H new ATOM 567 N ARG A 42 -0.191 10.016 9.239 1.00 0.00 N ATOM 568 CA ARG A 42 -0.245 9.896 10.686 1.00 0.00 C ATOM 569 C ARG A 42 -1.590 9.312 11.120 1.00 0.00 C ATOM 570 O ARG A 42 -2.639 9.726 10.627 1.00 0.00 O ATOM 571 CB ARG A 42 -0.045 11.255 11.359 1.00 0.00 C ATOM 572 CG ARG A 42 1.289 11.306 12.107 1.00 0.00 C ATOM 573 CD ARG A 42 1.333 12.494 13.070 1.00 0.00 C ATOM 574 NE ARG A 42 0.266 12.361 14.087 1.00 0.00 N ATOM 575 CZ ARG A 42 -0.966 12.870 13.955 1.00 0.00 C ATOM 576 NH1 ARG A 42 -1.295 13.551 12.848 1.00 0.00 N ATOM 577 NH2 ARG A 42 -1.870 12.700 14.929 1.00 0.00 N ATOM 0 H ARG A 42 -0.187 10.975 8.890 1.00 0.00 H new ATOM 0 HA ARG A 42 0.560 9.229 10.994 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.075 12.045 10.608 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.863 11.444 12.054 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.435 10.379 12.661 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.108 11.382 11.392 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.307 12.542 13.557 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.206 13.425 12.518 1.00 0.00 H new ATOM 0 HE ARG A 42 0.482 11.849 14.942 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.607 13.682 12.106 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.233 13.939 12.748 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.620 12.183 15.772 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.808 13.088 14.828 1.00 0.00 H new ATOM 591 N GLY A 43 -1.518 8.360 12.038 1.00 0.00 N ATOM 592 CA GLY A 43 -2.717 7.715 12.545 1.00 0.00 C ATOM 593 C GLY A 43 -2.439 6.259 12.924 1.00 0.00 C ATOM 594 O GLY A 43 -1.293 5.813 12.890 1.00 0.00 O ATOM 0 H GLY A 43 -0.647 8.019 12.444 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.085 8.257 13.416 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.502 7.754 11.790 1.00 0.00 H new ATOM 598 N PRO A 44 -3.534 5.539 13.285 1.00 0.00 N ATOM 599 CA PRO A 44 -3.419 4.143 13.671 1.00 0.00 C ATOM 600 C PRO A 44 -3.196 3.253 12.446 1.00 0.00 C ATOM 601 O PRO A 44 -2.893 2.069 12.582 1.00 0.00 O ATOM 602 CB PRO A 44 -4.713 3.830 14.405 1.00 0.00 C ATOM 603 CG PRO A 44 -5.695 4.917 14.002 1.00 0.00 C ATOM 604 CD PRO A 44 -4.907 6.034 13.337 1.00 0.00 C ATOM 0 HA PRO A 44 -2.558 3.953 14.311 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.088 2.844 14.131 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.558 3.824 15.484 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.445 4.519 13.318 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.228 5.293 14.875 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.289 6.248 12.339 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.973 6.960 13.909 1.00 0.00 H new ATOM 612 N LEU A 45 -3.355 3.858 11.278 1.00 0.00 N ATOM 613 CA LEU A 45 -3.175 3.135 10.031 1.00 0.00 C ATOM 614 C LEU A 45 -1.797 2.470 10.026 1.00 0.00 C ATOM 615 O LEU A 45 -1.694 1.247 9.942 1.00 0.00 O ATOM 616 CB LEU A 45 -3.416 4.060 8.836 1.00 0.00 C ATOM 617 CG LEU A 45 -4.880 4.347 8.495 1.00 0.00 C ATOM 618 CD1 LEU A 45 -5.432 5.480 9.362 1.00 0.00 C ATOM 619 CD2 LEU A 45 -5.048 4.634 7.001 1.00 0.00 C ATOM 0 H LEU A 45 -3.606 4.841 11.169 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.914 2.338 9.942 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.916 5.009 9.030 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.939 3.621 7.960 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.465 3.455 8.720 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.474 5.664 9.100 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.367 5.199 10.413 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.849 6.385 9.192 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.097 4.835 6.785 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.449 5.502 6.728 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.718 3.769 6.425 1.00 0.00 H new ATOM 631 N THR A 46 -0.772 3.305 10.117 1.00 0.00 N ATOM 632 CA THR A 46 0.595 2.814 10.124 1.00 0.00 C ATOM 633 C THR A 46 1.227 3.015 11.502 1.00 0.00 C ATOM 634 O THR A 46 2.409 2.733 11.695 1.00 0.00 O ATOM 635 CB THR A 46 1.356 3.517 8.998 1.00 0.00 C ATOM 636 OG1 THR A 46 1.470 4.865 9.445 1.00 0.00 O ATOM 637 CG2 THR A 46 0.535 3.620 7.711 1.00 0.00 C ATOM 0 H THR A 46 -0.861 4.319 10.187 1.00 0.00 H new ATOM 0 HA THR A 46 0.630 1.740 9.939 1.00 0.00 H new ATOM 0 HB THR A 46 2.282 2.979 8.796 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.896 5.406 8.748 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.122 4.127 6.945 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.273 2.620 7.365 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.376 4.187 7.905 1.00 0.00 H new ATOM 645 N GLN A 47 0.411 3.501 12.427 1.00 0.00 N ATOM 646 CA GLN A 47 0.876 3.744 13.782 1.00 0.00 C ATOM 647 C GLN A 47 1.934 4.849 13.791 1.00 0.00 C ATOM 648 O GLN A 47 2.705 4.967 14.742 1.00 0.00 O ATOM 649 CB GLN A 47 1.418 2.460 14.413 1.00 0.00 C ATOM 650 CG GLN A 47 0.277 1.542 14.855 1.00 0.00 C ATOM 651 CD GLN A 47 0.189 1.472 16.381 1.00 0.00 C ATOM 652 OE1 GLN A 47 1.179 1.551 17.090 1.00 0.00 O ATOM 653 NE2 GLN A 47 -1.048 1.319 16.845 1.00 0.00 N ATOM 0 H GLN A 47 -0.569 3.733 12.264 1.00 0.00 H new ATOM 0 HA GLN A 47 0.029 4.076 14.382 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.052 1.938 13.697 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.043 2.708 15.271 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.666 1.907 14.449 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.432 0.542 14.450 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.833 1.260 16.196 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.212 1.261 17.850 1.00 0.00 H new ATOM 662 N VAL A 48 1.936 5.630 12.721 1.00 0.00 N ATOM 663 CA VAL A 48 2.887 6.722 12.594 1.00 0.00 C ATOM 664 C VAL A 48 2.381 7.928 13.387 1.00 0.00 C ATOM 665 O VAL A 48 1.209 8.290 13.293 1.00 0.00 O ATOM 666 CB VAL A 48 3.128 7.036 11.116 1.00 0.00 C ATOM 667 CG1 VAL A 48 3.873 8.362 10.952 1.00 0.00 C ATOM 668 CG2 VAL A 48 3.880 5.896 10.428 1.00 0.00 C ATOM 0 H VAL A 48 1.295 5.529 11.934 1.00 0.00 H new ATOM 0 HA VAL A 48 3.852 6.439 13.014 1.00 0.00 H new ATOM 0 HB VAL A 48 2.156 7.135 10.632 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.032 8.562 9.892 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.283 9.168 11.389 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.837 8.303 11.458 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.038 6.145 9.379 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.844 5.750 10.915 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.295 4.979 10.499 1.00 0.00 H new ATOM 678 N THR A 49 3.290 8.517 14.151 1.00 0.00 N ATOM 679 CA THR A 49 2.950 9.675 14.960 1.00 0.00 C ATOM 680 C THR A 49 3.978 10.789 14.754 1.00 0.00 C ATOM 681 O THR A 49 4.159 11.640 15.624 1.00 0.00 O ATOM 682 CB THR A 49 2.834 9.217 16.416 1.00 0.00 C ATOM 683 OG1 THR A 49 4.070 8.557 16.672 1.00 0.00 O ATOM 684 CG2 THR A 49 1.781 8.122 16.603 1.00 0.00 C ATOM 0 H THR A 49 4.261 8.214 14.227 1.00 0.00 H new ATOM 0 HA THR A 49 1.992 10.100 14.660 1.00 0.00 H new ATOM 0 HB THR A 49 2.586 10.071 17.046 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.081 8.230 17.596 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.739 7.833 17.653 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.806 8.497 16.291 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.047 7.255 15.999 1.00 0.00 H new ATOM 692 N ASP A 50 4.624 10.748 13.598 1.00 0.00 N ATOM 693 CA ASP A 50 5.629 11.744 13.267 1.00 0.00 C ATOM 694 C ASP A 50 4.939 12.998 12.727 1.00 0.00 C ATOM 695 O ASP A 50 4.037 12.906 11.895 1.00 0.00 O ATOM 696 CB ASP A 50 6.582 11.227 12.188 1.00 0.00 C ATOM 697 CG ASP A 50 7.536 12.275 11.612 1.00 0.00 C ATOM 698 OD1 ASP A 50 7.568 13.387 12.180 1.00 0.00 O ATOM 699 OD2 ASP A 50 8.212 11.939 10.615 1.00 0.00 O ATOM 0 H ASP A 50 4.471 10.041 12.879 1.00 0.00 H new ATOM 0 HA ASP A 50 6.195 11.966 14.172 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.172 10.411 12.606 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.991 10.808 11.373 1.00 0.00 H new ATOM 704 N ARG A 51 5.390 14.142 13.221 1.00 0.00 N ATOM 705 CA ARG A 51 4.827 15.413 12.798 1.00 0.00 C ATOM 706 C ARG A 51 5.015 15.602 11.292 1.00 0.00 C ATOM 707 O ARG A 51 4.082 15.991 10.590 1.00 0.00 O ATOM 708 CB ARG A 51 5.486 16.580 13.537 1.00 0.00 C ATOM 709 CG ARG A 51 5.087 16.588 15.015 1.00 0.00 C ATOM 710 CD ARG A 51 6.047 17.451 15.836 1.00 0.00 C ATOM 711 NE ARG A 51 6.034 17.016 17.251 1.00 0.00 N ATOM 712 CZ ARG A 51 6.883 17.469 18.183 1.00 0.00 C ATOM 713 NH1 ARG A 51 7.817 18.372 17.857 1.00 0.00 N ATOM 714 NH2 ARG A 51 6.798 17.018 19.443 1.00 0.00 N ATOM 0 H ARG A 51 6.139 14.215 13.910 1.00 0.00 H new ATOM 0 HA ARG A 51 3.763 15.400 13.036 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.570 16.505 13.450 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.193 17.521 13.072 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.071 16.968 15.119 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.087 15.569 15.401 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.056 17.372 15.432 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.757 18.499 15.766 1.00 0.00 H new ATOM 0 HE ARG A 51 5.335 16.329 17.534 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.882 18.715 16.899 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.463 18.717 18.567 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.087 16.330 19.692 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.444 17.363 20.153 1.00 0.00 H new ATOM 728 N LYS A 52 6.227 15.317 10.838 1.00 0.00 N ATOM 729 CA LYS A 52 6.548 15.450 9.428 1.00 0.00 C ATOM 730 C LYS A 52 5.487 14.727 8.596 1.00 0.00 C ATOM 731 O LYS A 52 5.192 15.131 7.473 1.00 0.00 O ATOM 732 CB LYS A 52 7.975 14.969 9.156 1.00 0.00 C ATOM 733 CG LYS A 52 8.997 15.845 9.883 1.00 0.00 C ATOM 734 CD LYS A 52 9.926 16.545 8.889 1.00 0.00 C ATOM 735 CE LYS A 52 10.911 17.465 9.613 1.00 0.00 C ATOM 736 NZ LYS A 52 10.232 18.700 10.064 1.00 0.00 N ATOM 0 H LYS A 52 6.998 14.994 11.422 1.00 0.00 H new ATOM 0 HA LYS A 52 6.527 16.498 9.130 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.082 13.934 9.481 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.171 14.989 8.084 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.479 16.589 10.488 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.585 15.233 10.567 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.475 15.800 8.313 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.335 17.125 8.180 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.340 16.946 10.470 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.736 17.719 8.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.931 19.349 10.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.771 19.159 9.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.516 18.461 10.779 1.00 0.00 H new ATOM 750 N CYS A 53 4.942 13.670 9.181 1.00 0.00 N ATOM 751 CA CYS A 53 3.919 12.887 8.508 1.00 0.00 C ATOM 752 C CYS A 53 2.638 13.721 8.446 1.00 0.00 C ATOM 753 O CYS A 53 2.255 14.351 9.431 1.00 0.00 O ATOM 754 CB CYS A 53 3.691 11.541 9.199 1.00 0.00 C ATOM 755 SG CYS A 53 4.320 10.183 8.147 1.00 0.00 S ATOM 0 H CYS A 53 5.189 13.338 10.113 1.00 0.00 H new ATOM 0 HA CYS A 53 4.246 12.650 7.496 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.197 11.528 10.164 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.628 11.398 9.394 1.00 0.00 H new ATOM 0 HG CYS A 53 4.028 10.427 6.904 1.00 0.00 H new ATOM 761 N SER A 54 2.012 13.699 7.279 1.00 0.00 N ATOM 762 CA SER A 54 0.782 14.446 7.076 1.00 0.00 C ATOM 763 C SER A 54 -0.391 13.482 6.887 1.00 0.00 C ATOM 764 O SER A 54 -0.294 12.524 6.122 1.00 0.00 O ATOM 765 CB SER A 54 0.898 15.382 5.871 1.00 0.00 C ATOM 766 OG SER A 54 1.194 16.720 6.262 1.00 0.00 O ATOM 0 H SER A 54 2.333 13.176 6.464 1.00 0.00 H new ATOM 0 HA SER A 54 0.604 15.057 7.961 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.679 15.018 5.203 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.036 15.367 5.309 1.00 0.00 H new ATOM 0 HG SER A 54 1.262 17.286 5.465 1.00 0.00 H new ATOM 772 N ARG A 55 -1.472 13.768 7.598 1.00 0.00 N ATOM 773 CA ARG A 55 -2.661 12.938 7.519 1.00 0.00 C ATOM 774 C ARG A 55 -2.874 12.452 6.084 1.00 0.00 C ATOM 775 O ARG A 55 -3.321 11.326 5.866 1.00 0.00 O ATOM 776 CB ARG A 55 -3.901 13.707 7.979 1.00 0.00 C ATOM 777 CG ARG A 55 -4.204 13.429 9.452 1.00 0.00 C ATOM 778 CD ARG A 55 -5.713 13.402 9.707 1.00 0.00 C ATOM 779 NE ARG A 55 -5.979 13.256 11.155 1.00 0.00 N ATOM 780 CZ ARG A 55 -7.206 13.178 11.689 1.00 0.00 C ATOM 781 NH1 ARG A 55 -8.286 13.232 10.898 1.00 0.00 N ATOM 782 NH2 ARG A 55 -7.352 13.046 13.015 1.00 0.00 N ATOM 0 H ARG A 55 -1.549 14.564 8.232 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.513 12.083 8.178 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.746 14.776 7.832 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.757 13.422 7.368 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.765 12.475 9.743 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.740 14.195 10.073 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.169 14.320 9.336 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.168 12.576 9.160 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.179 13.212 11.786 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.175 13.332 9.889 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.220 13.173 11.305 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.530 13.005 13.617 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.285 12.987 13.422 1.00 0.00 H new ATOM 796 N ASN A 56 -2.545 13.324 5.142 1.00 0.00 N ATOM 797 CA ASN A 56 -2.695 12.997 3.735 1.00 0.00 C ATOM 798 C ASN A 56 -1.345 13.155 3.032 1.00 0.00 C ATOM 799 O ASN A 56 -1.209 13.962 2.114 1.00 0.00 O ATOM 800 CB ASN A 56 -3.694 13.935 3.055 1.00 0.00 C ATOM 801 CG ASN A 56 -4.996 14.021 3.853 1.00 0.00 C ATOM 802 OD1 ASN A 56 -5.009 14.292 5.042 1.00 0.00 O ATOM 803 ND2 ASN A 56 -6.088 13.774 3.134 1.00 0.00 N ATOM 0 H ASN A 56 -2.175 14.257 5.326 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.057 11.971 3.664 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.257 14.929 2.957 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.904 13.579 2.047 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.007 13.806 3.575 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.006 13.553 2.142 1.00 0.00 H new ATOM 810 N GLN A 57 -0.379 12.372 3.492 1.00 0.00 N ATOM 811 CA GLN A 57 0.955 12.415 2.919 1.00 0.00 C ATOM 812 C GLN A 57 0.928 11.921 1.471 1.00 0.00 C ATOM 813 O GLN A 57 1.503 12.551 0.585 1.00 0.00 O ATOM 814 CB GLN A 57 1.939 11.598 3.759 1.00 0.00 C ATOM 815 CG GLN A 57 3.298 11.494 3.065 1.00 0.00 C ATOM 816 CD GLN A 57 3.855 12.882 2.739 1.00 0.00 C ATOM 817 OE1 GLN A 57 3.500 13.879 3.346 1.00 0.00 O ATOM 818 NE2 GLN A 57 4.744 12.890 1.751 1.00 0.00 N ATOM 0 H GLN A 57 -0.494 11.705 4.255 1.00 0.00 H new ATOM 0 HA GLN A 57 1.297 13.450 2.922 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.061 12.063 4.737 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.536 10.600 3.929 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.998 10.959 3.707 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.199 10.913 2.148 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.996 12.018 1.285 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.174 13.768 1.459 1.00 0.00 H new ATOM 827 N VAL A 58 0.254 10.797 1.276 1.00 0.00 N ATOM 828 CA VAL A 58 0.144 10.211 -0.049 1.00 0.00 C ATOM 829 C VAL A 58 -1.217 9.527 -0.188 1.00 0.00 C ATOM 830 O VAL A 58 -1.847 9.182 0.810 1.00 0.00 O ATOM 831 CB VAL A 58 1.318 9.263 -0.301 1.00 0.00 C ATOM 832 CG1 VAL A 58 2.601 10.045 -0.591 1.00 0.00 C ATOM 833 CG2 VAL A 58 1.513 8.307 0.877 1.00 0.00 C ATOM 0 H VAL A 58 -0.221 10.277 2.013 1.00 0.00 H new ATOM 0 HA VAL A 58 0.198 10.985 -0.815 1.00 0.00 H new ATOM 0 HB VAL A 58 1.083 8.665 -1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.420 9.348 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.457 10.666 -1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.841 10.679 0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.354 7.644 0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.715 8.881 1.782 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.609 7.714 1.018 1.00 0.00 H new ATOM 843 N GLU A 59 -1.631 9.350 -1.435 1.00 0.00 N ATOM 844 CA GLU A 59 -2.906 8.713 -1.717 1.00 0.00 C ATOM 845 C GLU A 59 -2.683 7.349 -2.373 1.00 0.00 C ATOM 846 O GLU A 59 -2.313 7.272 -3.543 1.00 0.00 O ATOM 847 CB GLU A 59 -3.783 9.607 -2.596 1.00 0.00 C ATOM 848 CG GLU A 59 -4.983 8.832 -3.141 1.00 0.00 C ATOM 849 CD GLU A 59 -6.143 9.775 -3.467 1.00 0.00 C ATOM 850 OE1 GLU A 59 -6.352 10.714 -2.669 1.00 0.00 O ATOM 851 OE2 GLU A 59 -6.795 9.535 -4.506 1.00 0.00 O ATOM 0 H GLU A 59 -1.106 9.637 -2.261 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.431 8.560 -0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.131 10.463 -2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.193 10.000 -3.424 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.691 8.286 -4.038 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.306 8.092 -2.408 1.00 0.00 H new ATOM 858 N LEU A 60 -2.919 6.306 -1.590 1.00 0.00 N ATOM 859 CA LEU A 60 -2.750 4.949 -2.080 1.00 0.00 C ATOM 860 C LEU A 60 -4.037 4.496 -2.772 1.00 0.00 C ATOM 861 O LEU A 60 -5.135 4.810 -2.315 1.00 0.00 O ATOM 862 CB LEU A 60 -2.302 4.022 -0.947 1.00 0.00 C ATOM 863 CG LEU A 60 -0.819 4.086 -0.575 1.00 0.00 C ATOM 864 CD1 LEU A 60 -0.595 4.998 0.632 1.00 0.00 C ATOM 865 CD2 LEU A 60 -0.251 2.683 -0.347 1.00 0.00 C ATOM 0 H LEU A 60 -3.226 6.374 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.956 4.910 -2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.889 4.256 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.542 2.996 -1.227 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.275 4.522 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.467 5.025 0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.939 6.005 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.153 4.615 1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.804 2.756 -0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.794 2.198 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.358 2.095 -1.258 1.00 0.00 H new ATOM 877 N ILE A 61 -3.859 3.767 -3.864 1.00 0.00 N ATOM 878 CA ILE A 61 -4.992 3.268 -4.624 1.00 0.00 C ATOM 879 C ILE A 61 -4.723 1.822 -5.044 1.00 0.00 C ATOM 880 O ILE A 61 -3.760 1.549 -5.759 1.00 0.00 O ATOM 881 CB ILE A 61 -5.304 4.201 -5.795 1.00 0.00 C ATOM 882 CG1 ILE A 61 -5.760 5.574 -5.297 1.00 0.00 C ATOM 883 CG2 ILE A 61 -6.324 3.568 -6.744 1.00 0.00 C ATOM 884 CD1 ILE A 61 -5.727 6.606 -6.426 1.00 0.00 C ATOM 0 H ILE A 61 -2.947 3.510 -4.241 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.890 3.258 -4.006 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.386 4.353 -6.363 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.771 5.502 -4.895 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.115 5.901 -4.481 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.528 4.252 -7.568 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.923 2.634 -7.139 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.248 3.366 -6.203 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.056 7.573 -6.045 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.710 6.694 -6.809 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.391 6.288 -7.229 1.00 0.00 H new ATOM 896 N ALA A 62 -5.590 0.934 -4.582 1.00 0.00 N ATOM 897 CA ALA A 62 -5.458 -0.478 -4.901 1.00 0.00 C ATOM 898 C ALA A 62 -5.874 -0.709 -6.355 1.00 0.00 C ATOM 899 O ALA A 62 -6.933 -0.252 -6.781 1.00 0.00 O ATOM 900 CB ALA A 62 -6.290 -1.304 -3.918 1.00 0.00 C ATOM 0 H ALA A 62 -6.387 1.164 -3.989 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.421 -0.799 -4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.191 -2.363 -4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.935 -1.127 -2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.337 -1.012 -3.993 1.00 0.00 H new ATOM 906 N ASP A 63 -5.018 -1.418 -7.076 1.00 0.00 N ATOM 907 CA ASP A 63 -5.283 -1.715 -8.474 1.00 0.00 C ATOM 908 C ASP A 63 -5.099 -3.214 -8.715 1.00 0.00 C ATOM 909 O ASP A 63 -4.028 -3.653 -9.130 1.00 0.00 O ATOM 910 CB ASP A 63 -4.314 -0.966 -9.390 1.00 0.00 C ATOM 911 CG ASP A 63 -4.775 0.429 -9.817 1.00 0.00 C ATOM 912 OD1 ASP A 63 -5.582 1.016 -9.064 1.00 0.00 O ATOM 913 OD2 ASP A 63 -4.309 0.878 -10.887 1.00 0.00 O ATOM 0 H ASP A 63 -4.140 -1.796 -6.719 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.303 -1.403 -8.698 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.354 -0.875 -8.882 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.146 -1.566 -10.284 1.00 0.00 H new ATOM 918 N PRO A 64 -6.189 -3.979 -8.438 1.00 0.00 N ATOM 919 CA PRO A 64 -6.158 -5.420 -8.622 1.00 0.00 C ATOM 920 C PRO A 64 -6.236 -5.786 -10.105 1.00 0.00 C ATOM 921 O PRO A 64 -6.236 -6.964 -10.458 1.00 0.00 O ATOM 922 CB PRO A 64 -7.338 -5.944 -7.818 1.00 0.00 C ATOM 923 CG PRO A 64 -8.254 -4.752 -7.598 1.00 0.00 C ATOM 924 CD PRO A 64 -7.475 -3.494 -7.945 1.00 0.00 C ATOM 0 HA PRO A 64 -5.226 -5.868 -8.277 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.854 -6.739 -8.355 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.008 -6.363 -6.868 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.144 -4.834 -8.222 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.593 -4.717 -6.563 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.992 -2.904 -8.702 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.349 -2.853 -7.072 1.00 0.00 H new ATOM 932 N GLU A 65 -6.299 -4.754 -10.934 1.00 0.00 N ATOM 933 CA GLU A 65 -6.377 -4.952 -12.371 1.00 0.00 C ATOM 934 C GLU A 65 -5.084 -5.584 -12.890 1.00 0.00 C ATOM 935 O GLU A 65 -5.107 -6.355 -13.848 1.00 0.00 O ATOM 936 CB GLU A 65 -6.671 -3.635 -13.091 1.00 0.00 C ATOM 937 CG GLU A 65 -5.652 -2.560 -12.706 1.00 0.00 C ATOM 938 CD GLU A 65 -5.673 -1.401 -13.704 1.00 0.00 C ATOM 939 OE1 GLU A 65 -6.794 -1.016 -14.102 1.00 0.00 O ATOM 940 OE2 GLU A 65 -4.569 -0.926 -14.046 1.00 0.00 O ATOM 0 H GLU A 65 -6.298 -3.778 -10.637 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.201 -5.634 -12.580 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.648 -3.793 -14.169 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.676 -3.295 -12.840 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.872 -2.187 -11.706 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.654 -2.996 -12.671 1.00 0.00 H new ATOM 947 N SER A 66 -3.987 -5.234 -12.235 1.00 0.00 N ATOM 948 CA SER A 66 -2.687 -5.758 -12.618 1.00 0.00 C ATOM 949 C SER A 66 -1.759 -5.797 -11.402 1.00 0.00 C ATOM 950 O SER A 66 -0.557 -5.568 -11.526 1.00 0.00 O ATOM 951 CB SER A 66 -2.063 -4.919 -13.735 1.00 0.00 C ATOM 952 OG SER A 66 -2.771 -5.054 -14.964 1.00 0.00 O ATOM 0 H SER A 66 -3.972 -4.594 -11.441 1.00 0.00 H new ATOM 0 HA SER A 66 -2.824 -6.772 -12.995 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.051 -3.871 -13.437 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.026 -5.221 -13.879 1.00 0.00 H new ATOM 0 HG SER A 66 -3.561 -5.618 -14.826 1.00 0.00 H new ATOM 958 N ARG A 67 -2.353 -6.089 -10.254 1.00 0.00 N ATOM 959 CA ARG A 67 -1.595 -6.161 -9.017 1.00 0.00 C ATOM 960 C ARG A 67 -0.641 -4.970 -8.908 1.00 0.00 C ATOM 961 O ARG A 67 0.576 -5.138 -8.954 1.00 0.00 O ATOM 962 CB ARG A 67 -0.788 -7.459 -8.940 1.00 0.00 C ATOM 963 CG ARG A 67 -1.711 -8.669 -8.780 1.00 0.00 C ATOM 964 CD ARG A 67 -1.628 -9.587 -10.002 1.00 0.00 C ATOM 965 NE ARG A 67 -0.902 -10.829 -9.654 1.00 0.00 N ATOM 966 CZ ARG A 67 -0.386 -11.674 -10.556 1.00 0.00 C ATOM 967 NH1 ARG A 67 -0.512 -11.417 -11.865 1.00 0.00 N ATOM 968 NH2 ARG A 67 0.257 -12.777 -10.149 1.00 0.00 N ATOM 0 H ARG A 67 -3.350 -6.278 -10.155 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.306 -6.138 -8.191 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.187 -7.572 -9.842 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.095 -7.412 -8.100 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.436 -9.225 -7.884 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.738 -8.332 -8.643 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.631 -9.829 -10.354 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.118 -9.075 -10.818 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.788 -11.055 -8.666 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.001 -10.577 -12.175 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.119 -12.061 -12.551 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.353 -12.973 -9.153 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.650 -13.421 -10.836 1.00 0.00 H new ATOM 982 N THR A 68 -1.231 -3.792 -8.766 1.00 0.00 N ATOM 983 CA THR A 68 -0.449 -2.572 -8.650 1.00 0.00 C ATOM 984 C THR A 68 -1.129 -1.592 -7.692 1.00 0.00 C ATOM 985 O THR A 68 -2.214 -1.867 -7.183 1.00 0.00 O ATOM 986 CB THR A 68 -0.247 -2.005 -10.057 1.00 0.00 C ATOM 987 OG1 THR A 68 -1.477 -2.279 -10.722 1.00 0.00 O ATOM 988 CG2 THR A 68 0.793 -2.789 -10.860 1.00 0.00 C ATOM 0 H THR A 68 -2.241 -3.656 -8.729 1.00 0.00 H new ATOM 0 HA THR A 68 0.533 -2.770 -8.219 1.00 0.00 H new ATOM 0 HB THR A 68 0.059 -0.961 -9.987 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.434 -1.943 -11.642 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.898 -2.346 -11.850 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.752 -2.755 -10.344 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.470 -3.825 -10.959 1.00 0.00 H new ATOM 996 N VAL A 69 -0.462 -0.468 -7.475 1.00 0.00 N ATOM 997 CA VAL A 69 -0.988 0.555 -6.587 1.00 0.00 C ATOM 998 C VAL A 69 -0.422 1.917 -6.994 1.00 0.00 C ATOM 999 O VAL A 69 0.760 2.032 -7.314 1.00 0.00 O ATOM 1000 CB VAL A 69 -0.683 0.191 -5.132 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -1.123 1.309 -4.184 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -1.335 -1.139 -4.752 1.00 0.00 C ATOM 0 H VAL A 69 0.438 -0.243 -7.899 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.073 0.615 -6.673 1.00 0.00 H new ATOM 0 HB VAL A 69 0.396 0.074 -5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.895 1.025 -3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.592 2.228 -4.433 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.196 1.471 -4.286 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.103 -1.374 -3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.415 -1.063 -4.874 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.952 -1.929 -5.398 1.00 0.00 H new ATOM 1012 N ALA A 70 -1.293 2.915 -6.968 1.00 0.00 N ATOM 1013 CA ALA A 70 -0.896 4.265 -7.330 1.00 0.00 C ATOM 1014 C ALA A 70 -0.656 5.080 -6.057 1.00 0.00 C ATOM 1015 O ALA A 70 -1.362 4.911 -5.065 1.00 0.00 O ATOM 1016 CB ALA A 70 -1.966 4.889 -8.228 1.00 0.00 C ATOM 0 H ALA A 70 -2.273 2.816 -6.702 1.00 0.00 H new ATOM 0 HA ALA A 70 0.036 4.252 -7.895 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.668 5.902 -8.499 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.078 4.289 -9.131 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.916 4.921 -7.694 1.00 0.00 H new ATOM 1022 N VAL A 71 0.345 5.946 -6.128 1.00 0.00 N ATOM 1023 CA VAL A 71 0.687 6.787 -4.994 1.00 0.00 C ATOM 1024 C VAL A 71 0.760 8.246 -5.450 1.00 0.00 C ATOM 1025 O VAL A 71 1.516 8.578 -6.361 1.00 0.00 O ATOM 1026 CB VAL A 71 1.986 6.296 -4.351 1.00 0.00 C ATOM 1027 CG1 VAL A 71 2.385 7.187 -3.172 1.00 0.00 C ATOM 1028 CG2 VAL A 71 1.864 4.834 -3.918 1.00 0.00 C ATOM 0 H VAL A 71 0.929 6.083 -6.953 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.084 6.724 -4.226 1.00 0.00 H new ATOM 0 HB VAL A 71 2.776 6.358 -5.100 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.311 6.816 -2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.533 8.209 -3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.596 7.171 -2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.800 4.510 -3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.056 4.735 -3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.648 4.214 -4.788 1.00 0.00 H new ATOM 1038 N LYS A 72 -0.037 9.078 -4.795 1.00 0.00 N ATOM 1039 CA LYS A 72 -0.072 10.493 -5.122 1.00 0.00 C ATOM 1040 C LYS A 72 0.266 11.309 -3.873 1.00 0.00 C ATOM 1041 O LYS A 72 -0.430 11.222 -2.863 1.00 0.00 O ATOM 1042 CB LYS A 72 -1.416 10.864 -5.754 1.00 0.00 C ATOM 1043 CG LYS A 72 -1.531 12.377 -5.949 1.00 0.00 C ATOM 1044 CD LYS A 72 -2.202 12.708 -7.283 1.00 0.00 C ATOM 1045 CE LYS A 72 -3.561 13.376 -7.063 1.00 0.00 C ATOM 1046 NZ LYS A 72 -3.830 14.369 -8.127 1.00 0.00 N ATOM 0 H LYS A 72 -0.663 8.799 -4.040 1.00 0.00 H new ATOM 0 HA LYS A 72 0.683 10.729 -5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.521 10.361 -6.715 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.230 10.513 -5.120 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.107 12.810 -5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.539 12.828 -5.915 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.558 13.368 -7.864 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.331 11.796 -7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.347 12.621 -7.055 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.579 13.865 -6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.756 14.812 -7.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.090 15.099 -8.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.834 13.894 -9.052 1.00 0.00 H new ATOM 1060 N GLN A 73 1.335 12.085 -3.984 1.00 0.00 N ATOM 1061 CA GLN A 73 1.774 12.916 -2.876 1.00 0.00 C ATOM 1062 C GLN A 73 0.873 14.146 -2.746 1.00 0.00 C ATOM 1063 O GLN A 73 0.816 14.976 -3.652 1.00 0.00 O ATOM 1064 CB GLN A 73 3.239 13.324 -3.043 1.00 0.00 C ATOM 1065 CG GLN A 73 3.637 14.375 -2.005 1.00 0.00 C ATOM 1066 CD GLN A 73 5.159 14.498 -1.906 1.00 0.00 C ATOM 1067 OE1 GLN A 73 5.887 13.519 -1.890 1.00 0.00 O ATOM 1068 NE2 GLN A 73 5.597 15.752 -1.839 1.00 0.00 N ATOM 0 H GLN A 73 1.909 12.155 -4.824 1.00 0.00 H new ATOM 0 HA GLN A 73 1.696 12.334 -1.958 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.878 12.447 -2.941 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.398 13.720 -4.046 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.207 15.340 -2.275 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.226 14.105 -1.032 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.933 16.526 -1.857 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.597 15.940 -1.769 1.00 0.00 H new ATOM 1077 N LEU A 74 0.193 14.225 -1.612 1.00 0.00 N ATOM 1078 CA LEU A 74 -0.702 15.340 -1.352 1.00 0.00 C ATOM 1079 C LEU A 74 -0.212 16.105 -0.120 1.00 0.00 C ATOM 1080 O LEU A 74 -0.899 16.997 0.374 1.00 0.00 O ATOM 1081 CB LEU A 74 -2.147 14.852 -1.238 1.00 0.00 C ATOM 1082 CG LEU A 74 -2.518 13.644 -2.102 1.00 0.00 C ATOM 1083 CD1 LEU A 74 -3.189 12.555 -1.263 1.00 0.00 C ATOM 1084 CD2 LEU A 74 -3.382 14.067 -3.292 1.00 0.00 C ATOM 0 H LEU A 74 0.244 13.535 -0.862 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.691 16.040 -2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.344 14.602 -0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.810 15.677 -1.499 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.600 13.217 -2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.442 11.708 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.506 12.227 -0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.097 12.952 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.632 13.191 -3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.299 14.532 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.832 14.780 -3.906 1.00 0.00 H new ATOM 1096 N GLY A 75 0.972 15.727 0.339 1.00 0.00 N ATOM 1097 CA GLY A 75 1.561 16.366 1.503 1.00 0.00 C ATOM 1098 C GLY A 75 2.590 17.420 1.088 1.00 0.00 C ATOM 1099 O GLY A 75 2.426 18.084 0.065 1.00 0.00 O ATOM 0 H GLY A 75 1.539 14.987 -0.074 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.778 16.832 2.101 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.038 15.615 2.132 1.00 0.00 H new ATOM 1103 N VAL A 76 3.628 17.541 1.903 1.00 0.00 N ATOM 1104 CA VAL A 76 4.683 18.502 1.633 1.00 0.00 C ATOM 1105 C VAL A 76 6.009 17.761 1.453 1.00 0.00 C ATOM 1106 O VAL A 76 6.719 17.980 0.472 1.00 0.00 O ATOM 1107 CB VAL A 76 4.731 19.552 2.745 1.00 0.00 C ATOM 1108 CG1 VAL A 76 4.462 18.917 4.110 1.00 0.00 C ATOM 1109 CG2 VAL A 76 6.069 20.295 2.739 1.00 0.00 C ATOM 0 H VAL A 76 3.760 16.989 2.751 1.00 0.00 H new ATOM 0 HA VAL A 76 4.483 19.039 0.706 1.00 0.00 H new ATOM 0 HB VAL A 76 3.943 20.280 2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.502 19.685 4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.475 18.455 4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.217 18.158 4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.078 21.036 3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.881 19.584 2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.203 20.795 1.780 1.00 0.00 H new ATOM 1119 N ASN A 77 6.303 16.898 2.414 1.00 0.00 N ATOM 1120 CA ASN A 77 7.532 16.123 2.374 1.00 0.00 C ATOM 1121 C ASN A 77 7.480 15.155 1.190 1.00 0.00 C ATOM 1122 O ASN A 77 6.443 14.551 0.923 1.00 0.00 O ATOM 1123 CB ASN A 77 7.705 15.299 3.651 1.00 0.00 C ATOM 1124 CG ASN A 77 8.164 16.181 4.814 1.00 0.00 C ATOM 1125 OD1 ASN A 77 9.294 16.638 4.872 1.00 0.00 O ATOM 1126 ND2 ASN A 77 7.228 16.393 5.735 1.00 0.00 N ATOM 0 H ASN A 77 5.712 16.718 3.225 1.00 0.00 H new ATOM 0 HA ASN A 77 8.366 16.818 2.277 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.762 14.815 3.907 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.434 14.507 3.481 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.437 16.968 6.551 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.302 15.980 5.625 1.00 0.00 H new ATOM 1133 N PRO A 78 8.643 15.034 0.495 1.00 0.00 N ATOM 1134 CA PRO A 78 8.740 14.150 -0.653 1.00 0.00 C ATOM 1135 C PRO A 78 8.811 12.686 -0.214 1.00 0.00 C ATOM 1136 O PRO A 78 9.643 12.322 0.615 1.00 0.00 O ATOM 1137 CB PRO A 78 9.984 14.607 -1.398 1.00 0.00 C ATOM 1138 CG PRO A 78 10.792 15.419 -0.399 1.00 0.00 C ATOM 1139 CD PRO A 78 9.891 15.734 0.784 1.00 0.00 C ATOM 0 HA PRO A 78 7.863 14.202 -1.299 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.557 13.754 -1.762 1.00 0.00 H new ATOM 0 HB3 PRO A 78 9.720 15.209 -2.268 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.669 14.859 -0.073 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.154 16.339 -0.859 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.331 15.389 1.720 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.729 16.807 0.884 1.00 0.00 H new ATOM 1147 N SER A 79 7.926 11.885 -0.790 1.00 0.00 N ATOM 1148 CA SER A 79 7.877 10.469 -0.468 1.00 0.00 C ATOM 1149 C SER A 79 8.751 9.680 -1.445 1.00 0.00 C ATOM 1150 O SER A 79 9.056 10.159 -2.536 1.00 0.00 O ATOM 1151 CB SER A 79 6.440 9.946 -0.500 1.00 0.00 C ATOM 1152 OG SER A 79 5.718 10.297 0.677 1.00 0.00 O ATOM 0 H SER A 79 7.237 12.190 -1.478 1.00 0.00 H new ATOM 0 HA SER A 79 8.261 10.335 0.543 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.927 10.348 -1.374 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.451 8.861 -0.609 1.00 0.00 H new ATOM 0 HG SER A 79 6.074 9.797 1.441 1.00 0.00 H new ATOM 1158 N THR A 80 9.130 8.484 -1.017 1.00 0.00 N ATOM 1159 CA THR A 80 9.963 7.625 -1.841 1.00 0.00 C ATOM 1160 C THR A 80 9.245 6.304 -2.129 1.00 0.00 C ATOM 1161 O THR A 80 8.999 5.516 -1.217 1.00 0.00 O ATOM 1162 CB THR A 80 11.305 7.444 -1.129 1.00 0.00 C ATOM 1163 OG1 THR A 80 11.865 8.754 -1.108 1.00 0.00 O ATOM 1164 CG2 THR A 80 12.300 6.627 -1.955 1.00 0.00 C ATOM 0 H THR A 80 8.876 8.090 -0.111 1.00 0.00 H new ATOM 0 HA THR A 80 10.154 8.075 -2.815 1.00 0.00 H new ATOM 0 HB THR A 80 11.144 6.955 -0.168 1.00 0.00 H new ATOM 0 HG1 THR A 80 12.838 8.695 -1.206 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.235 6.528 -1.404 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.886 5.637 -2.148 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.488 7.133 -2.902 1.00 0.00 H new ATOM 1172 N VAL A 81 8.930 6.104 -3.400 1.00 0.00 N ATOM 1173 CA VAL A 81 8.245 4.893 -3.819 1.00 0.00 C ATOM 1174 C VAL A 81 9.271 3.894 -4.360 1.00 0.00 C ATOM 1175 O VAL A 81 9.603 3.920 -5.544 1.00 0.00 O ATOM 1176 CB VAL A 81 7.151 5.234 -4.833 1.00 0.00 C ATOM 1177 CG1 VAL A 81 6.596 3.967 -5.487 1.00 0.00 C ATOM 1178 CG2 VAL A 81 6.033 6.049 -4.179 1.00 0.00 C ATOM 0 H VAL A 81 9.136 6.760 -4.153 1.00 0.00 H new ATOM 0 HA VAL A 81 7.748 4.423 -2.971 1.00 0.00 H new ATOM 0 HB VAL A 81 7.598 5.847 -5.616 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.820 4.237 -6.203 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.400 3.442 -6.003 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.172 3.318 -4.721 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.268 6.278 -4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.590 5.473 -3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.444 6.978 -3.782 1.00 0.00 H new ATOM 1188 N GLY A 82 9.744 3.038 -3.467 1.00 0.00 N ATOM 1189 CA GLY A 82 10.725 2.033 -3.839 1.00 0.00 C ATOM 1190 C GLY A 82 12.148 2.575 -3.695 1.00 0.00 C ATOM 1191 O GLY A 82 12.729 2.524 -2.612 1.00 0.00 O ATOM 0 H GLY A 82 9.466 3.020 -2.486 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.603 1.151 -3.211 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.555 1.717 -4.868 1.00 0.00 H new ATOM 1195 N VAL A 83 12.668 3.083 -4.803 1.00 0.00 N ATOM 1196 CA VAL A 83 14.013 3.634 -4.813 1.00 0.00 C ATOM 1197 C VAL A 83 14.009 4.961 -5.576 1.00 0.00 C ATOM 1198 O VAL A 83 15.051 5.412 -6.048 1.00 0.00 O ATOM 1199 CB VAL A 83 14.993 2.613 -5.394 1.00 0.00 C ATOM 1200 CG1 VAL A 83 14.724 2.380 -6.882 1.00 0.00 C ATOM 1201 CG2 VAL A 83 16.441 3.048 -5.160 1.00 0.00 C ATOM 0 H VAL A 83 12.183 3.125 -5.699 1.00 0.00 H new ATOM 0 HA VAL A 83 14.348 3.843 -3.797 1.00 0.00 H new ATOM 0 HB VAL A 83 14.839 1.668 -4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 83 15.434 1.650 -7.270 1.00 0.00 H new ATOM 0 HG12 VAL A 83 13.709 2.004 -7.014 1.00 0.00 H new ATOM 0 HG13 VAL A 83 14.836 3.319 -7.424 1.00 0.00 H new ATOM 0 HG21 VAL A 83 17.117 2.305 -5.583 1.00 0.00 H new ATOM 0 HG22 VAL A 83 16.614 4.011 -5.641 1.00 0.00 H new ATOM 0 HG23 VAL A 83 16.625 3.139 -4.090 1.00 0.00 H new ATOM 1211 N GLN A 84 12.825 5.548 -5.673 1.00 0.00 N ATOM 1212 CA GLN A 84 12.672 6.813 -6.371 1.00 0.00 C ATOM 1213 C GLN A 84 12.010 7.846 -5.457 1.00 0.00 C ATOM 1214 O GLN A 84 11.135 7.507 -4.662 1.00 0.00 O ATOM 1215 CB GLN A 84 11.874 6.634 -7.663 1.00 0.00 C ATOM 1216 CG GLN A 84 11.480 7.988 -8.257 1.00 0.00 C ATOM 1217 CD GLN A 84 11.319 7.894 -9.776 1.00 0.00 C ATOM 1218 OE1 GLN A 84 11.133 6.830 -10.342 1.00 0.00 O ATOM 1219 NE2 GLN A 84 11.402 9.065 -10.402 1.00 0.00 N ATOM 0 H GLN A 84 11.963 5.171 -5.280 1.00 0.00 H new ATOM 0 HA GLN A 84 13.663 7.178 -6.643 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.467 6.074 -8.386 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.978 6.046 -7.463 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.546 8.328 -7.809 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.239 8.731 -8.013 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.559 9.919 -9.867 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.308 9.109 -11.417 1.00 0.00 H new ATOM 1228 N GLU A 85 12.454 9.087 -5.600 1.00 0.00 N ATOM 1229 CA GLU A 85 11.916 10.171 -4.797 1.00 0.00 C ATOM 1230 C GLU A 85 10.746 10.839 -5.523 1.00 0.00 C ATOM 1231 O GLU A 85 10.826 11.109 -6.720 1.00 0.00 O ATOM 1232 CB GLU A 85 13.003 11.192 -4.456 1.00 0.00 C ATOM 1233 CG GLU A 85 13.068 11.440 -2.947 1.00 0.00 C ATOM 1234 CD GLU A 85 14.359 10.873 -2.353 1.00 0.00 C ATOM 1235 OE1 GLU A 85 15.417 11.097 -2.979 1.00 0.00 O ATOM 1236 OE2 GLU A 85 14.258 10.230 -1.287 1.00 0.00 O ATOM 0 H GLU A 85 13.180 9.365 -6.260 1.00 0.00 H new ATOM 0 HA GLU A 85 11.547 9.754 -3.860 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.969 10.833 -4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.802 12.130 -4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.011 12.510 -2.748 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.207 10.980 -2.462 1.00 0.00 H new ATOM 1243 N LEU A 86 9.686 11.086 -4.768 1.00 0.00 N ATOM 1244 CA LEU A 86 8.501 11.716 -5.324 1.00 0.00 C ATOM 1245 C LEU A 86 8.561 13.223 -5.064 1.00 0.00 C ATOM 1246 O LEU A 86 9.576 13.736 -4.596 1.00 0.00 O ATOM 1247 CB LEU A 86 7.235 11.049 -4.783 1.00 0.00 C ATOM 1248 CG LEU A 86 6.841 9.725 -5.441 1.00 0.00 C ATOM 1249 CD1 LEU A 86 5.406 9.338 -5.078 1.00 0.00 C ATOM 1250 CD2 LEU A 86 7.053 9.781 -6.956 1.00 0.00 C ATOM 0 H LEU A 86 9.623 10.861 -3.775 1.00 0.00 H new ATOM 0 HA LEU A 86 8.468 11.579 -6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.367 10.876 -3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.405 11.747 -4.892 1.00 0.00 H new ATOM 0 HG LEU A 86 7.494 8.943 -5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.151 8.393 -5.559 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.321 9.230 -3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.722 10.115 -5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.765 8.828 -7.399 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.441 10.577 -7.380 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.104 9.978 -7.169 1.00 0.00 H new ATOM 1262 N LYS A 87 7.460 13.890 -5.380 1.00 0.00 N ATOM 1263 CA LYS A 87 7.375 15.327 -5.187 1.00 0.00 C ATOM 1264 C LYS A 87 5.939 15.703 -4.815 1.00 0.00 C ATOM 1265 O LYS A 87 5.042 14.862 -4.858 1.00 0.00 O ATOM 1266 CB LYS A 87 7.905 16.066 -6.418 1.00 0.00 C ATOM 1267 CG LYS A 87 9.276 16.684 -6.138 1.00 0.00 C ATOM 1268 CD LYS A 87 10.017 16.986 -7.442 1.00 0.00 C ATOM 1269 CE LYS A 87 11.511 16.685 -7.305 1.00 0.00 C ATOM 1270 NZ LYS A 87 12.316 17.771 -7.907 1.00 0.00 N ATOM 0 H LYS A 87 6.620 13.461 -5.768 1.00 0.00 H new ATOM 0 HA LYS A 87 8.012 15.638 -4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.978 15.375 -7.258 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.202 16.847 -6.708 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.155 17.602 -5.563 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.869 16.002 -5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.595 16.390 -8.251 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.876 18.033 -7.711 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.770 16.573 -6.252 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.744 15.739 -7.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.327 17.551 -7.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.081 17.859 -8.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.107 18.667 -7.423 1.00 0.00 H new ATOM 1284 N PRO A 88 5.761 17.001 -4.448 1.00 0.00 N ATOM 1285 CA PRO A 88 4.450 17.498 -4.069 1.00 0.00 C ATOM 1286 C PRO A 88 3.559 17.687 -5.299 1.00 0.00 C ATOM 1287 O PRO A 88 3.817 18.557 -6.129 1.00 0.00 O ATOM 1288 CB PRO A 88 4.721 18.797 -3.327 1.00 0.00 C ATOM 1289 CG PRO A 88 6.129 19.215 -3.719 1.00 0.00 C ATOM 1290 CD PRO A 88 6.800 18.025 -4.385 1.00 0.00 C ATOM 0 HA PRO A 88 3.902 16.800 -3.436 1.00 0.00 H new ATOM 0 HB2 PRO A 88 3.995 19.563 -3.602 1.00 0.00 H new ATOM 0 HB3 PRO A 88 4.642 18.655 -2.249 1.00 0.00 H new ATOM 0 HG2 PRO A 88 6.099 20.066 -4.399 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.693 19.529 -2.840 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.164 18.281 -5.380 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.660 17.682 -3.809 1.00 0.00 H new ATOM 1298 N GLY A 89 2.527 16.859 -5.375 1.00 0.00 N ATOM 1299 CA GLY A 89 1.596 16.924 -6.489 1.00 0.00 C ATOM 1300 C GLY A 89 1.941 15.880 -7.553 1.00 0.00 C ATOM 1301 O GLY A 89 1.287 15.809 -8.593 1.00 0.00 O ATOM 0 H GLY A 89 2.315 16.140 -4.683 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.580 16.760 -6.129 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.620 17.920 -6.930 1.00 0.00 H new ATOM 1305 N LEU A 90 2.966 15.095 -7.256 1.00 0.00 N ATOM 1306 CA LEU A 90 3.405 14.058 -8.174 1.00 0.00 C ATOM 1307 C LEU A 90 2.564 12.799 -7.955 1.00 0.00 C ATOM 1308 O LEU A 90 1.670 12.785 -7.110 1.00 0.00 O ATOM 1309 CB LEU A 90 4.911 13.823 -8.037 1.00 0.00 C ATOM 1310 CG LEU A 90 5.655 13.473 -9.327 1.00 0.00 C ATOM 1311 CD1 LEU A 90 5.166 14.335 -10.493 1.00 0.00 C ATOM 1312 CD2 LEU A 90 7.169 13.579 -9.132 1.00 0.00 C ATOM 0 H LEU A 90 3.505 15.156 -6.392 1.00 0.00 H new ATOM 0 HA LEU A 90 3.247 14.372 -9.206 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.362 14.720 -7.613 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.069 13.018 -7.320 1.00 0.00 H new ATOM 0 HG LEU A 90 5.434 12.436 -9.578 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.711 14.066 -11.398 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.100 14.167 -10.648 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.338 15.387 -10.265 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.675 13.325 -10.064 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.428 14.598 -8.844 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.484 12.890 -8.349 1.00 0.00 H new ATOM 1324 N SER A 91 2.880 11.772 -8.730 1.00 0.00 N ATOM 1325 CA SER A 91 2.164 10.512 -8.631 1.00 0.00 C ATOM 1326 C SER A 91 3.005 9.384 -9.232 1.00 0.00 C ATOM 1327 O SER A 91 3.558 9.529 -10.321 1.00 0.00 O ATOM 1328 CB SER A 91 0.806 10.593 -9.332 1.00 0.00 C ATOM 1329 OG SER A 91 0.542 11.899 -9.836 1.00 0.00 O ATOM 0 H SER A 91 3.622 11.787 -9.429 1.00 0.00 H new ATOM 0 HA SER A 91 1.986 10.302 -7.576 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.778 9.876 -10.152 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.020 10.309 -8.633 1.00 0.00 H new ATOM 0 HG SER A 91 -0.333 11.909 -10.277 1.00 0.00 H new ATOM 1335 N GLY A 92 3.075 8.284 -8.495 1.00 0.00 N ATOM 1336 CA GLY A 92 3.839 7.132 -8.942 1.00 0.00 C ATOM 1337 C GLY A 92 3.033 5.842 -8.777 1.00 0.00 C ATOM 1338 O GLY A 92 1.842 5.885 -8.473 1.00 0.00 O ATOM 0 H GLY A 92 2.615 8.167 -7.592 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.118 7.260 -9.988 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.765 7.062 -8.372 1.00 0.00 H new ATOM 1342 N SER A 93 3.715 4.725 -8.985 1.00 0.00 N ATOM 1343 CA SER A 93 3.077 3.425 -8.864 1.00 0.00 C ATOM 1344 C SER A 93 3.898 2.524 -7.940 1.00 0.00 C ATOM 1345 O SER A 93 5.107 2.707 -7.802 1.00 0.00 O ATOM 1346 CB SER A 93 2.906 2.765 -10.234 1.00 0.00 C ATOM 1347 OG SER A 93 1.952 3.450 -11.040 1.00 0.00 O ATOM 0 H SER A 93 4.703 4.693 -9.237 1.00 0.00 H new ATOM 0 HA SER A 93 2.086 3.569 -8.434 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.867 2.743 -10.749 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.592 1.730 -10.101 1.00 0.00 H new ATOM 0 HG SER A 93 1.872 3.000 -11.907 1.00 0.00 H new ATOM 1353 N LEU A 94 3.209 1.570 -7.330 1.00 0.00 N ATOM 1354 CA LEU A 94 3.859 0.640 -6.423 1.00 0.00 C ATOM 1355 C LEU A 94 3.497 -0.792 -6.821 1.00 0.00 C ATOM 1356 O LEU A 94 2.320 -1.147 -6.870 1.00 0.00 O ATOM 1357 CB LEU A 94 3.517 0.980 -4.971 1.00 0.00 C ATOM 1358 CG LEU A 94 4.686 1.434 -4.095 1.00 0.00 C ATOM 1359 CD1 LEU A 94 4.437 2.834 -3.530 1.00 0.00 C ATOM 1360 CD2 LEU A 94 4.972 0.413 -2.991 1.00 0.00 C ATOM 0 H LEU A 94 2.207 1.421 -7.447 1.00 0.00 H new ATOM 0 HA LEU A 94 4.943 0.728 -6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.762 1.766 -4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.063 0.102 -4.510 1.00 0.00 H new ATOM 0 HG LEU A 94 5.578 1.493 -4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.283 3.132 -2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.320 3.542 -4.350 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.530 2.826 -2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.807 0.760 -2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.088 0.299 -2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.224 -0.548 -3.440 1.00 0.00 H new ATOM 1372 N SER A 95 4.529 -1.575 -7.096 1.00 0.00 N ATOM 1373 CA SER A 95 4.334 -2.960 -7.488 1.00 0.00 C ATOM 1374 C SER A 95 4.423 -3.870 -6.261 1.00 0.00 C ATOM 1375 O SER A 95 4.762 -3.414 -5.170 1.00 0.00 O ATOM 1376 CB SER A 95 5.362 -3.385 -8.539 1.00 0.00 C ATOM 1377 OG SER A 95 5.389 -2.493 -9.650 1.00 0.00 O ATOM 0 H SER A 95 5.503 -1.277 -7.055 1.00 0.00 H new ATOM 0 HA SER A 95 3.342 -3.053 -7.930 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.351 -3.426 -8.083 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.130 -4.391 -8.887 1.00 0.00 H new ATOM 0 HG SER A 95 6.059 -2.797 -10.298 1.00 0.00 H new ATOM 1383 N LEU A 96 4.113 -5.139 -6.481 1.00 0.00 N ATOM 1384 CA LEU A 96 4.154 -6.116 -5.406 1.00 0.00 C ATOM 1385 C LEU A 96 5.593 -6.256 -4.904 1.00 0.00 C ATOM 1386 O LEU A 96 6.473 -6.692 -5.645 1.00 0.00 O ATOM 1387 CB LEU A 96 3.530 -7.437 -5.859 1.00 0.00 C ATOM 1388 CG LEU A 96 2.163 -7.773 -5.259 1.00 0.00 C ATOM 1389 CD1 LEU A 96 1.641 -9.108 -5.797 1.00 0.00 C ATOM 1390 CD2 LEU A 96 2.215 -7.752 -3.730 1.00 0.00 C ATOM 0 H LEU A 96 3.832 -5.513 -7.387 1.00 0.00 H new ATOM 0 HA LEU A 96 3.553 -5.779 -4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.433 -7.417 -6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.220 -8.245 -5.615 1.00 0.00 H new ATOM 0 HG LEU A 96 1.456 -7.003 -5.567 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.668 -9.323 -5.355 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.542 -9.050 -6.881 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.341 -9.903 -5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.231 -7.994 -3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.940 -8.487 -3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.511 -6.760 -3.390 1.00 0.00 H new ATOM 1402 N GLY A 97 5.788 -5.878 -3.650 1.00 0.00 N ATOM 1403 CA GLY A 97 7.104 -5.956 -3.040 1.00 0.00 C ATOM 1404 C GLY A 97 7.701 -4.560 -2.845 1.00 0.00 C ATOM 1405 O GLY A 97 8.356 -4.297 -1.837 1.00 0.00 O ATOM 0 H GLY A 97 5.056 -5.516 -3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.033 -6.463 -2.078 1.00 0.00 H new ATOM 0 HA3 GLY A 97 7.765 -6.554 -3.668 1.00 0.00 H new ATOM 1409 N ASP A 98 7.454 -3.703 -3.824 1.00 0.00 N ATOM 1410 CA ASP A 98 7.958 -2.341 -3.771 1.00 0.00 C ATOM 1411 C ASP A 98 7.737 -1.774 -2.368 1.00 0.00 C ATOM 1412 O ASP A 98 6.930 -2.298 -1.602 1.00 0.00 O ATOM 1413 CB ASP A 98 7.222 -1.442 -4.767 1.00 0.00 C ATOM 1414 CG ASP A 98 7.829 -1.399 -6.170 1.00 0.00 C ATOM 1415 OD1 ASP A 98 8.462 -2.408 -6.546 1.00 0.00 O ATOM 1416 OD2 ASP A 98 7.645 -0.356 -6.836 1.00 0.00 O ATOM 0 H ASP A 98 6.912 -3.925 -4.659 1.00 0.00 H new ATOM 0 HA ASP A 98 9.018 -2.364 -4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.189 -1.781 -4.845 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.196 -0.428 -4.368 1.00 0.00 H new ATOM 1421 N VAL A 99 8.469 -0.709 -2.073 1.00 0.00 N ATOM 1422 CA VAL A 99 8.363 -0.064 -0.775 1.00 0.00 C ATOM 1423 C VAL A 99 7.735 1.320 -0.948 1.00 0.00 C ATOM 1424 O VAL A 99 7.685 1.848 -2.057 1.00 0.00 O ATOM 1425 CB VAL A 99 9.736 -0.019 -0.100 1.00 0.00 C ATOM 1426 CG1 VAL A 99 9.678 0.776 1.206 1.00 0.00 C ATOM 1427 CG2 VAL A 99 10.276 -1.430 0.140 1.00 0.00 C ATOM 0 H VAL A 99 9.138 -0.277 -2.711 1.00 0.00 H new ATOM 0 HA VAL A 99 7.710 -0.636 -0.116 1.00 0.00 H new ATOM 0 HB VAL A 99 10.424 0.492 -0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 99 10.666 0.793 1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 99 9.358 1.797 0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.969 0.306 1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 99 11.252 -1.369 0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.588 -1.978 0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 99 10.373 -1.950 -0.813 1.00 0.00 H new ATOM 1437 N LEU A 100 7.273 1.868 0.166 1.00 0.00 N ATOM 1438 CA LEU A 100 6.650 3.181 0.152 1.00 0.00 C ATOM 1439 C LEU A 100 6.996 3.919 1.447 1.00 0.00 C ATOM 1440 O LEU A 100 6.268 3.823 2.433 1.00 0.00 O ATOM 1441 CB LEU A 100 5.147 3.058 -0.103 1.00 0.00 C ATOM 1442 CG LEU A 100 4.366 4.373 -0.154 1.00 0.00 C ATOM 1443 CD1 LEU A 100 4.871 5.267 -1.288 1.00 0.00 C ATOM 1444 CD2 LEU A 100 2.861 4.113 -0.256 1.00 0.00 C ATOM 0 H LEU A 100 7.317 1.427 1.085 1.00 0.00 H new ATOM 0 HA LEU A 100 7.041 3.780 -0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.000 2.534 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.716 2.432 0.679 1.00 0.00 H new ATOM 0 HG LEU A 100 4.538 4.909 0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.299 6.195 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.926 5.493 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.748 4.751 -2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.329 5.064 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.650 3.546 -1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.530 3.544 0.613 1.00 0.00 H new ATOM 1456 N TYR A 101 8.108 4.638 1.402 1.00 0.00 N ATOM 1457 CA TYR A 101 8.559 5.392 2.559 1.00 0.00 C ATOM 1458 C TYR A 101 7.594 6.536 2.878 1.00 0.00 C ATOM 1459 O TYR A 101 7.643 7.589 2.245 1.00 0.00 O ATOM 1460 CB TYR A 101 9.919 5.980 2.176 1.00 0.00 C ATOM 1461 CG TYR A 101 11.023 4.934 2.006 1.00 0.00 C ATOM 1462 CD1 TYR A 101 11.730 4.493 3.106 1.00 0.00 C ATOM 1463 CD2 TYR A 101 11.312 4.432 0.754 1.00 0.00 C ATOM 1464 CE1 TYR A 101 12.769 3.509 2.947 1.00 0.00 C ATOM 1465 CE2 TYR A 101 12.351 3.448 0.594 1.00 0.00 C ATOM 1466 CZ TYR A 101 13.028 3.035 1.699 1.00 0.00 C ATOM 1467 OH TYR A 101 14.010 2.106 1.548 1.00 0.00 O ATOM 0 H TYR A 101 8.710 4.714 0.582 1.00 0.00 H new ATOM 0 HA TYR A 101 8.614 4.750 3.438 1.00 0.00 H new ATOM 0 HB2 TYR A 101 9.814 6.537 1.245 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.223 6.694 2.941 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.504 4.886 4.086 1.00 0.00 H new ATOM 0 HD2 TYR A 101 10.759 4.777 -0.107 1.00 0.00 H new ATOM 0 HE1 TYR A 101 13.330 3.155 3.799 1.00 0.00 H new ATOM 0 HE2 TYR A 101 12.587 3.047 -0.381 1.00 0.00 H new ATOM 0 HH TYR A 101 14.083 1.858 0.603 1.00 0.00 H new ATOM 1477 N LEU A 102 6.740 6.290 3.861 1.00 0.00 N ATOM 1478 CA LEU A 102 5.765 7.286 4.272 1.00 0.00 C ATOM 1479 C LEU A 102 6.377 8.681 4.130 1.00 0.00 C ATOM 1480 O LEU A 102 5.864 9.515 3.385 1.00 0.00 O ATOM 1481 CB LEU A 102 5.249 6.982 5.680 1.00 0.00 C ATOM 1482 CG LEU A 102 3.767 6.615 5.786 1.00 0.00 C ATOM 1483 CD1 LEU A 102 3.589 5.228 6.408 1.00 0.00 C ATOM 1484 CD2 LEU A 102 2.990 7.689 6.549 1.00 0.00 C ATOM 0 H LEU A 102 6.703 5.415 4.385 1.00 0.00 H new ATOM 0 HA LEU A 102 4.890 7.253 3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.837 6.161 6.092 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.433 7.853 6.309 1.00 0.00 H new ATOM 0 HG LEU A 102 3.353 6.572 4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 102 2.527 4.992 6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.090 4.484 5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.024 5.219 7.408 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.940 7.404 6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.398 7.788 7.555 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.078 8.642 6.027 1.00 0.00 H new ATOM 1496 N VAL A 103 7.465 8.892 4.856 1.00 0.00 N ATOM 1497 CA VAL A 103 8.153 10.172 4.820 1.00 0.00 C ATOM 1498 C VAL A 103 9.562 10.005 5.391 1.00 0.00 C ATOM 1499 O VAL A 103 9.900 8.947 5.921 1.00 0.00 O ATOM 1500 CB VAL A 103 7.330 11.229 5.559 1.00 0.00 C ATOM 1501 CG1 VAL A 103 7.242 10.909 7.053 1.00 0.00 C ATOM 1502 CG2 VAL A 103 7.903 12.628 5.330 1.00 0.00 C ATOM 0 H VAL A 103 7.887 8.198 5.473 1.00 0.00 H new ATOM 0 HA VAL A 103 8.258 10.520 3.793 1.00 0.00 H new ATOM 0 HB VAL A 103 6.319 11.211 5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.652 11.676 7.555 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.767 9.938 7.190 1.00 0.00 H new ATOM 0 HG13 VAL A 103 8.245 10.886 7.480 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.300 13.361 5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.929 12.665 5.696 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.889 12.857 4.264 1.00 0.00 H new ATOM 1512 N ASN A 104 10.347 11.064 5.263 1.00 0.00 N ATOM 1513 CA ASN A 104 11.713 11.048 5.759 1.00 0.00 C ATOM 1514 C ASN A 104 12.353 9.697 5.435 1.00 0.00 C ATOM 1515 O ASN A 104 13.075 9.135 6.257 1.00 0.00 O ATOM 1516 CB ASN A 104 11.749 11.237 7.277 1.00 0.00 C ATOM 1517 CG ASN A 104 12.670 12.396 7.664 1.00 0.00 C ATOM 1518 OD1 ASN A 104 13.872 12.246 7.810 1.00 0.00 O ATOM 1519 ND2 ASN A 104 12.041 13.557 7.820 1.00 0.00 N ATOM 0 H ASN A 104 10.063 11.939 4.823 1.00 0.00 H new ATOM 0 HA ASN A 104 12.255 11.864 5.281 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.742 11.429 7.647 1.00 0.00 H new ATOM 0 HB3 ASN A 104 12.094 10.319 7.753 1.00 0.00 H new ATOM 0 HD21 ASN A 104 12.568 14.392 8.077 1.00 0.00 H new ATOM 0 HD22 ASN A 104 11.032 13.613 7.682 1.00 0.00 H new ATOM 1526 N GLY A 105 12.065 9.214 4.236 1.00 0.00 N ATOM 1527 CA GLY A 105 12.603 7.939 3.793 1.00 0.00 C ATOM 1528 C GLY A 105 12.531 6.895 4.910 1.00 0.00 C ATOM 1529 O GLY A 105 13.300 5.936 4.919 1.00 0.00 O ATOM 0 H GLY A 105 11.466 9.683 3.557 1.00 0.00 H new ATOM 0 HA2 GLY A 105 12.046 7.587 2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 105 13.638 8.067 3.477 1.00 0.00 H new ATOM 1533 N LEU A 106 11.598 7.118 5.825 1.00 0.00 N ATOM 1534 CA LEU A 106 11.415 6.210 6.944 1.00 0.00 C ATOM 1535 C LEU A 106 10.005 5.619 6.890 1.00 0.00 C ATOM 1536 O LEU A 106 9.293 5.791 5.902 1.00 0.00 O ATOM 1537 CB LEU A 106 11.737 6.913 8.264 1.00 0.00 C ATOM 1538 CG LEU A 106 13.223 7.080 8.590 1.00 0.00 C ATOM 1539 CD1 LEU A 106 13.413 7.766 9.944 1.00 0.00 C ATOM 1540 CD2 LEU A 106 13.953 5.737 8.521 1.00 0.00 C ATOM 0 H LEU A 106 10.961 7.915 5.814 1.00 0.00 H new ATOM 0 HA LEU A 106 12.114 5.376 6.876 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.275 7.900 8.249 1.00 0.00 H new ATOM 0 HB3 LEU A 106 11.268 6.354 9.074 1.00 0.00 H new ATOM 0 HG LEU A 106 13.668 7.728 7.835 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.478 7.873 10.152 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.947 8.751 9.921 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.949 7.164 10.725 1.00 0.00 H new ATOM 0 HD21 LEU A 106 15.007 5.883 8.757 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.513 5.046 9.240 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.860 5.323 7.517 1.00 0.00 H new ATOM 1552 N TYR A 107 9.643 4.934 7.965 1.00 0.00 N ATOM 1553 CA TYR A 107 8.331 4.317 8.052 1.00 0.00 C ATOM 1554 C TYR A 107 7.906 3.738 6.701 1.00 0.00 C ATOM 1555 O TYR A 107 6.869 4.116 6.159 1.00 0.00 O ATOM 1556 CB TYR A 107 7.363 5.436 8.441 1.00 0.00 C ATOM 1557 CG TYR A 107 7.915 6.396 9.497 1.00 0.00 C ATOM 1558 CD1 TYR A 107 8.338 5.911 10.718 1.00 0.00 C ATOM 1559 CD2 TYR A 107 7.990 7.748 9.229 1.00 0.00 C ATOM 1560 CE1 TYR A 107 8.857 6.814 11.712 1.00 0.00 C ATOM 1561 CE2 TYR A 107 8.509 8.652 10.223 1.00 0.00 C ATOM 1562 CZ TYR A 107 8.917 8.140 11.415 1.00 0.00 C ATOM 1563 OH TYR A 107 9.407 8.994 12.354 1.00 0.00 O ATOM 0 H TYR A 107 10.236 4.793 8.783 1.00 0.00 H new ATOM 0 HA TYR A 107 8.339 3.501 8.775 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.103 6.005 7.548 1.00 0.00 H new ATOM 0 HB3 TYR A 107 6.441 4.991 8.815 1.00 0.00 H new ATOM 0 HD1 TYR A 107 8.280 4.853 10.928 1.00 0.00 H new ATOM 0 HD2 TYR A 107 7.659 8.128 8.274 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.191 6.447 12.671 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.573 9.712 10.026 1.00 0.00 H new ATOM 0 HH TYR A 107 9.391 9.909 12.004 1.00 0.00 H new ATOM 1573 N PRO A 108 8.751 2.807 6.183 1.00 0.00 N ATOM 1574 CA PRO A 108 8.474 2.173 4.906 1.00 0.00 C ATOM 1575 C PRO A 108 7.357 1.135 5.040 1.00 0.00 C ATOM 1576 O PRO A 108 6.858 0.893 6.138 1.00 0.00 O ATOM 1577 CB PRO A 108 9.798 1.567 4.471 1.00 0.00 C ATOM 1578 CG PRO A 108 10.650 1.482 5.728 1.00 0.00 C ATOM 1579 CD PRO A 108 9.989 2.335 6.797 1.00 0.00 C ATOM 0 HA PRO A 108 8.109 2.877 4.158 1.00 0.00 H new ATOM 0 HB2 PRO A 108 9.650 0.580 4.032 1.00 0.00 H new ATOM 0 HB3 PRO A 108 10.280 2.185 3.713 1.00 0.00 H new ATOM 0 HG2 PRO A 108 10.734 0.448 6.063 1.00 0.00 H new ATOM 0 HG3 PRO A 108 11.661 1.836 5.528 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.788 1.755 7.698 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.628 3.168 7.090 1.00 0.00 H new ATOM 1587 N LEU A 109 6.998 0.549 3.907 1.00 0.00 N ATOM 1588 CA LEU A 109 5.950 -0.457 3.884 1.00 0.00 C ATOM 1589 C LEU A 109 6.198 -1.419 2.721 1.00 0.00 C ATOM 1590 O LEU A 109 6.961 -1.110 1.807 1.00 0.00 O ATOM 1591 CB LEU A 109 4.572 0.206 3.851 1.00 0.00 C ATOM 1592 CG LEU A 109 4.135 0.911 5.137 1.00 0.00 C ATOM 1593 CD1 LEU A 109 4.466 2.404 5.083 1.00 0.00 C ATOM 1594 CD2 LEU A 109 2.652 0.663 5.422 1.00 0.00 C ATOM 0 H LEU A 109 7.414 0.752 2.998 1.00 0.00 H new ATOM 0 HA LEU A 109 5.971 -1.050 4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 109 4.560 0.934 3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.831 -0.555 3.608 1.00 0.00 H new ATOM 0 HG LEU A 109 4.698 0.486 5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.145 2.882 6.009 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.541 2.534 4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.948 2.861 4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.368 1.175 6.341 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.054 1.044 4.594 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.477 -0.407 5.534 1.00 0.00 H new ATOM 1606 N THR A 110 5.539 -2.566 2.793 1.00 0.00 N ATOM 1607 CA THR A 110 5.678 -3.576 1.757 1.00 0.00 C ATOM 1608 C THR A 110 4.316 -3.900 1.141 1.00 0.00 C ATOM 1609 O THR A 110 3.409 -4.356 1.837 1.00 0.00 O ATOM 1610 CB THR A 110 6.372 -4.792 2.373 1.00 0.00 C ATOM 1611 OG1 THR A 110 7.682 -4.325 2.682 1.00 0.00 O ATOM 1612 CG2 THR A 110 6.606 -5.910 1.355 1.00 0.00 C ATOM 0 H THR A 110 4.907 -2.819 3.553 1.00 0.00 H new ATOM 0 HA THR A 110 6.294 -3.215 0.933 1.00 0.00 H new ATOM 0 HB THR A 110 5.771 -5.173 3.199 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.201 -5.051 3.088 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.101 -6.749 1.844 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.649 -6.239 0.950 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.235 -5.539 0.545 1.00 0.00 H new ATOM 1620 N LEU A 111 4.214 -3.652 -0.156 1.00 0.00 N ATOM 1621 CA LEU A 111 2.977 -3.911 -0.873 1.00 0.00 C ATOM 1622 C LEU A 111 2.804 -5.421 -1.052 1.00 0.00 C ATOM 1623 O LEU A 111 3.612 -6.068 -1.716 1.00 0.00 O ATOM 1624 CB LEU A 111 2.945 -3.129 -2.187 1.00 0.00 C ATOM 1625 CG LEU A 111 1.759 -3.415 -3.110 1.00 0.00 C ATOM 1626 CD1 LEU A 111 0.435 -3.308 -2.350 1.00 0.00 C ATOM 1627 CD2 LEU A 111 1.789 -2.506 -4.340 1.00 0.00 C ATOM 0 H LEU A 111 4.968 -3.274 -0.730 1.00 0.00 H new ATOM 0 HA LEU A 111 2.122 -3.557 -0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.949 -2.064 -1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.864 -3.339 -2.734 1.00 0.00 H new ATOM 0 HG LEU A 111 1.844 -4.441 -3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.392 -3.516 -3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.425 -4.030 -1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.328 -2.302 -1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.935 -2.730 -4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.742 -1.464 -4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.712 -2.675 -4.895 1.00 0.00 H new ATOM 1639 N ARG A 112 1.745 -5.939 -0.447 1.00 0.00 N ATOM 1640 CA ARG A 112 1.455 -7.360 -0.531 1.00 0.00 C ATOM 1641 C ARG A 112 0.110 -7.587 -1.223 1.00 0.00 C ATOM 1642 O ARG A 112 -0.646 -6.643 -1.445 1.00 0.00 O ATOM 1643 CB ARG A 112 1.420 -7.998 0.859 1.00 0.00 C ATOM 1644 CG ARG A 112 2.822 -8.062 1.469 1.00 0.00 C ATOM 1645 CD ARG A 112 3.630 -9.213 0.867 1.00 0.00 C ATOM 1646 NE ARG A 112 5.045 -9.112 1.286 1.00 0.00 N ATOM 1647 CZ ARG A 112 5.954 -10.080 1.105 1.00 0.00 C ATOM 1648 NH1 ARG A 112 5.600 -11.228 0.512 1.00 0.00 N ATOM 1649 NH2 ARG A 112 7.216 -9.900 1.517 1.00 0.00 N ATOM 0 H ARG A 112 1.077 -5.399 0.104 1.00 0.00 H new ATOM 0 HA ARG A 112 2.250 -7.827 -1.113 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.762 -7.423 1.510 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.003 -9.003 0.791 1.00 0.00 H new ATOM 0 HG2 ARG A 112 3.341 -7.119 1.296 1.00 0.00 H new ATOM 0 HG3 ARG A 112 2.747 -8.191 2.549 1.00 0.00 H new ATOM 0 HD2 ARG A 112 3.214 -10.168 1.189 1.00 0.00 H new ATOM 0 HD3 ARG A 112 3.562 -9.186 -0.221 1.00 0.00 H new ATOM 0 HE ARG A 112 5.348 -8.251 1.742 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.639 -11.365 0.199 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.291 -11.965 0.374 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.485 -9.026 1.969 1.00 0.00 H new ATOM 0 HH22 ARG A 112 7.908 -10.637 1.379 1.00 0.00 H new ATOM 1663 N TRP A 113 -0.148 -8.846 -1.546 1.00 0.00 N ATOM 1664 CA TRP A 113 -1.389 -9.210 -2.208 1.00 0.00 C ATOM 1665 C TRP A 113 -1.816 -10.586 -1.692 1.00 0.00 C ATOM 1666 O TRP A 113 -1.030 -11.532 -1.714 1.00 0.00 O ATOM 1667 CB TRP A 113 -1.232 -9.165 -3.729 1.00 0.00 C ATOM 1668 CG TRP A 113 -2.169 -10.114 -4.480 1.00 0.00 C ATOM 1669 CD1 TRP A 113 -2.207 -11.452 -4.423 1.00 0.00 C ATOM 1670 CD2 TRP A 113 -3.208 -9.739 -5.409 1.00 0.00 C ATOM 1671 NE1 TRP A 113 -3.191 -11.965 -5.243 1.00 0.00 N ATOM 1672 CE2 TRP A 113 -3.819 -10.891 -5.862 1.00 0.00 C ATOM 1673 CE3 TRP A 113 -3.618 -8.469 -5.852 1.00 0.00 C ATOM 1674 CZ2 TRP A 113 -4.875 -10.887 -6.781 1.00 0.00 C ATOM 1675 CZ3 TRP A 113 -4.675 -8.483 -6.770 1.00 0.00 C ATOM 1676 CH2 TRP A 113 -5.300 -9.634 -7.236 1.00 0.00 C ATOM 0 H TRP A 113 0.482 -9.627 -1.361 1.00 0.00 H new ATOM 0 HA TRP A 113 -2.175 -8.492 -1.974 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -1.412 -8.146 -4.073 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -0.201 -9.411 -3.985 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -1.550 -12.053 -3.812 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -3.416 -12.952 -5.371 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -3.154 -7.555 -5.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -5.337 -11.802 -7.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -5.030 -7.533 -7.142 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -6.110 -9.561 -7.946 1.00 0.00 H new ATOM 1687 N SER A 114 -3.059 -10.653 -1.238 1.00 0.00 N ATOM 1688 CA SER A 114 -3.599 -11.897 -0.717 1.00 0.00 C ATOM 1689 C SER A 114 -3.889 -12.864 -1.866 1.00 0.00 C ATOM 1690 O SER A 114 -4.208 -12.438 -2.975 1.00 0.00 O ATOM 1691 CB SER A 114 -4.869 -11.647 0.099 1.00 0.00 C ATOM 1692 OG SER A 114 -5.516 -12.862 0.465 1.00 0.00 O ATOM 0 H SER A 114 -3.707 -9.866 -1.220 1.00 0.00 H new ATOM 0 HA SER A 114 -2.856 -12.342 -0.055 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.617 -11.085 0.998 1.00 0.00 H new ATOM 0 HB3 SER A 114 -5.556 -11.030 -0.480 1.00 0.00 H new ATOM 0 HG SER A 114 -6.321 -12.660 0.986 1.00 0.00 H new ATOM 1698 N GLY A 115 -3.766 -14.148 -1.562 1.00 0.00 N ATOM 1699 CA GLY A 115 -4.011 -15.179 -2.556 1.00 0.00 C ATOM 1700 C GLY A 115 -4.344 -16.515 -1.890 1.00 0.00 C ATOM 1701 O GLY A 115 -4.340 -16.620 -0.664 1.00 0.00 O ATOM 0 H GLY A 115 -3.500 -14.498 -0.641 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -4.834 -14.876 -3.204 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -3.132 -15.294 -3.190 1.00 0.00 H new ATOM 1705 N PRO A 116 -4.633 -17.529 -2.749 1.00 0.00 N ATOM 1706 CA PRO A 116 -4.968 -18.855 -2.256 1.00 0.00 C ATOM 1707 C PRO A 116 -3.720 -19.586 -1.757 1.00 0.00 C ATOM 1708 O PRO A 116 -2.819 -19.886 -2.538 1.00 0.00 O ATOM 1709 CB PRO A 116 -5.637 -19.553 -3.429 1.00 0.00 C ATOM 1710 CG PRO A 116 -5.237 -18.766 -4.666 1.00 0.00 C ATOM 1711 CD PRO A 116 -4.648 -17.442 -4.206 1.00 0.00 C ATOM 0 HA PRO A 116 -5.634 -18.828 -1.394 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -5.311 -20.590 -3.504 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -6.720 -19.567 -3.309 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.509 -19.324 -5.254 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.102 -18.597 -5.307 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.644 -17.296 -4.604 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -5.252 -16.601 -4.546 1.00 0.00 H new ATOM 1719 N SER A 117 -3.708 -19.851 -0.459 1.00 0.00 N ATOM 1720 CA SER A 117 -2.586 -20.541 0.153 1.00 0.00 C ATOM 1721 C SER A 117 -2.952 -20.980 1.573 1.00 0.00 C ATOM 1722 O SER A 117 -3.030 -22.174 1.856 1.00 0.00 O ATOM 1723 CB SER A 117 -1.340 -19.654 0.177 1.00 0.00 C ATOM 1724 OG SER A 117 -0.755 -19.520 -1.116 1.00 0.00 O ATOM 0 H SER A 117 -4.458 -19.600 0.186 1.00 0.00 H new ATOM 0 HA SER A 117 -2.360 -21.423 -0.446 1.00 0.00 H new ATOM 0 HB2 SER A 117 -1.604 -18.668 0.559 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.607 -20.077 0.864 1.00 0.00 H new ATOM 0 HG SER A 117 -1.328 -19.955 -1.781 1.00 0.00 H new ATOM 1730 N SER A 118 -3.168 -19.990 2.426 1.00 0.00 N ATOM 1731 CA SER A 118 -3.524 -20.259 3.809 1.00 0.00 C ATOM 1732 C SER A 118 -2.646 -21.381 4.367 1.00 0.00 C ATOM 1733 O SER A 118 -2.981 -22.557 4.241 1.00 0.00 O ATOM 1734 CB SER A 118 -5.003 -20.630 3.935 1.00 0.00 C ATOM 1735 OG SER A 118 -5.346 -21.016 5.263 1.00 0.00 O ATOM 0 H SER A 118 -3.103 -19.001 2.187 1.00 0.00 H new ATOM 0 HA SER A 118 -3.354 -19.351 4.388 1.00 0.00 H new ATOM 0 HB2 SER A 118 -5.617 -19.781 3.635 1.00 0.00 H new ATOM 0 HB3 SER A 118 -5.231 -21.446 3.250 1.00 0.00 H new ATOM 0 HG SER A 118 -6.298 -21.244 5.302 1.00 0.00 H new ATOM 1741 N GLY A 119 -1.539 -20.977 4.973 1.00 0.00 N ATOM 1742 CA GLY A 119 -0.610 -21.933 5.551 1.00 0.00 C ATOM 1743 C GLY A 119 0.097 -21.342 6.772 1.00 0.00 C ATOM 1744 O GLY A 119 0.887 -20.408 6.645 1.00 0.00 O ATOM 0 H GLY A 119 -1.265 -20.000 5.076 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -1.146 -22.837 5.839 1.00 0.00 H new ATOM 0 HA3 GLY A 119 0.129 -22.224 4.804 1.00 0.00 H new TER 1748 GLY A 119