USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 999 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 71 MET CE :methyl -173:sc= -0.415 (180deg=-0.372) USER MOD Set 1.2: A 87 CYS SG : rot 180:sc= -1.46 USER MOD Set 2.1: A 34 HIS : no HE2:sc= 1.1 K(o=3.3,f=-6.5!) USER MOD Set 2.2: A 121 SER OG : rot 49:sc= 2.23 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0374 (180deg=-0.351) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.013 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HE2:sc= 1.01 K(o=1,f=-5.2!) USER MOD Single : A 12 HIS : no HE2:sc= 1.09 K(o=1.1,f=-5.3!) USER MOD Single : A 20 SER OG : rot 51:sc= -0.0924 USER MOD Single : A 24 GLN : amide:sc= -0.017 X(o=-0.017,f=-0.39) USER MOD Single : A 37 SER OG : rot -25:sc= 0.651 USER MOD Single : A 39 HIS : no HD1:sc= -5.16! C(o=-5.2!,f=-12!) USER MOD Single : A 45 GLN : amide:sc= -0.632 X(o=-0.63,f=-0.39) USER MOD Single : A 47 GLN : amide:sc=-0.00166 K(o=-0.0017,f=-0.98) USER MOD Single : A 50 ASN : amide:sc= -1.59 K(o=-1.6,f=-2.3) USER MOD Single : A 54 GLN : amide:sc= -0.888 K(o=-0.89,f=-2!) USER MOD Single : A 62 TYR OH : rot 17:sc= 1.15 USER MOD Single : A 74 SER OG : rot 137:sc= -0.261 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 HIS : no HD1:sc= 1.17 K(o=1.2,f=-3.6!) USER MOD Single : A 94 SER OG : rot 174:sc= 1.23 USER MOD Single : A 96 SER OG : rot 144:sc= 0.666 USER MOD Single : A 97 HIS : no HD1:sc= -0.077 X(o=-0.077,f=-0.23) USER MOD Single : A 105 ASN : amide:sc= 0.466 K(o=0.47,f=-0.73) USER MOD Single : A 123 HIS : no HD1:sc= -0.787 X(o=-0.79,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.761 -9.900 -42.968 1.00 0.00 N ATOM 2 CA MET A 1 10.449 -9.427 -42.480 1.00 0.00 C ATOM 3 C MET A 1 9.667 -8.771 -43.611 1.00 0.00 C ATOM 4 O MET A 1 10.175 -7.887 -44.297 1.00 0.00 O ATOM 5 CB MET A 1 10.646 -8.437 -41.324 1.00 0.00 C ATOM 6 CG MET A 1 9.356 -7.814 -40.808 1.00 0.00 C ATOM 7 SD MET A 1 8.165 -9.037 -40.226 1.00 0.00 S ATOM 8 CE MET A 1 9.052 -9.749 -38.841 1.00 0.00 C ATOM 0 H1 MET A 1 12.283 -10.345 -42.186 1.00 0.00 H new ATOM 0 H2 MET A 1 11.619 -10.595 -43.729 1.00 0.00 H new ATOM 0 H3 MET A 1 12.307 -9.094 -43.334 1.00 0.00 H new ATOM 0 HA MET A 1 9.879 -10.283 -42.118 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.142 -8.951 -40.501 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.315 -7.641 -41.652 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.591 -7.128 -39.994 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.902 -7.222 -41.603 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.361 -10.321 -38.221 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.837 -10.408 -39.212 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.498 -8.952 -38.246 1.00 0.00 H new ATOM 18 N SER A 2 8.426 -9.208 -43.793 1.00 0.00 N ATOM 19 CA SER A 2 7.555 -8.682 -44.841 1.00 0.00 C ATOM 20 C SER A 2 6.925 -7.351 -44.422 1.00 0.00 C ATOM 21 O SER A 2 5.848 -6.978 -44.894 1.00 0.00 O ATOM 22 CB SER A 2 6.469 -9.713 -45.157 1.00 0.00 C ATOM 23 OG SER A 2 5.803 -10.137 -43.974 1.00 0.00 O ATOM 0 H SER A 2 7.995 -9.934 -43.221 1.00 0.00 H new ATOM 0 HA SER A 2 8.152 -8.495 -45.734 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.746 -9.283 -45.850 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.915 -10.574 -45.655 1.00 0.00 H new ATOM 0 HG SER A 2 5.113 -10.794 -44.204 1.00 0.00 H new ATOM 29 N ASP A 3 7.626 -6.634 -43.557 1.00 0.00 N ATOM 30 CA ASP A 3 7.160 -5.370 -43.010 1.00 0.00 C ATOM 31 C ASP A 3 8.366 -4.636 -42.427 1.00 0.00 C ATOM 32 O ASP A 3 9.505 -5.052 -42.649 1.00 0.00 O ATOM 33 CB ASP A 3 6.095 -5.621 -41.929 1.00 0.00 C ATOM 34 CG ASP A 3 5.267 -4.388 -41.602 1.00 0.00 C ATOM 35 OD1 ASP A 3 4.177 -4.222 -42.190 1.00 0.00 O ATOM 36 OD2 ASP A 3 5.692 -3.588 -40.742 1.00 0.00 O ATOM 0 H ASP A 3 8.543 -6.917 -43.212 1.00 0.00 H new ATOM 0 HA ASP A 3 6.700 -4.762 -43.790 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.431 -6.418 -42.262 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.585 -5.972 -41.021 1.00 0.00 H new ATOM 41 N GLN A 4 8.133 -3.570 -41.683 1.00 0.00 N ATOM 42 CA GLN A 4 9.218 -2.820 -41.076 1.00 0.00 C ATOM 43 C GLN A 4 9.166 -2.956 -39.559 1.00 0.00 C ATOM 44 O GLN A 4 10.066 -3.533 -38.950 1.00 0.00 O ATOM 45 CB GLN A 4 9.149 -1.346 -41.482 1.00 0.00 C ATOM 46 CG GLN A 4 9.255 -1.125 -42.982 1.00 0.00 C ATOM 47 CD GLN A 4 9.201 0.342 -43.356 1.00 0.00 C ATOM 48 OE1 GLN A 4 8.126 0.899 -43.576 1.00 0.00 O ATOM 49 NE2 GLN A 4 10.359 0.975 -43.447 1.00 0.00 N ATOM 0 H GLN A 4 7.202 -3.204 -41.484 1.00 0.00 H new ATOM 0 HA GLN A 4 10.163 -3.229 -41.433 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.210 -0.923 -41.126 1.00 0.00 H new ATOM 0 HB3 GLN A 4 9.952 -0.802 -40.985 1.00 0.00 H new ATOM 0 HG2 GLN A 4 10.189 -1.555 -43.345 1.00 0.00 H new ATOM 0 HG3 GLN A 4 8.444 -1.655 -43.483 1.00 0.00 H new ATOM 0 HE21 GLN A 4 11.229 0.477 -43.256 1.00 0.00 H new ATOM 0 HE22 GLN A 4 10.382 1.961 -43.708 1.00 0.00 H new ATOM 58 N HIS A 5 8.103 -2.436 -38.957 1.00 0.00 N ATOM 59 CA HIS A 5 7.918 -2.508 -37.510 1.00 0.00 C ATOM 60 C HIS A 5 6.502 -2.083 -37.136 1.00 0.00 C ATOM 61 O HIS A 5 6.053 -1.000 -37.504 1.00 0.00 O ATOM 62 CB HIS A 5 8.952 -1.637 -36.769 1.00 0.00 C ATOM 63 CG HIS A 5 8.910 -0.177 -37.124 1.00 0.00 C ATOM 64 ND1 HIS A 5 8.406 0.792 -36.285 1.00 0.00 N ATOM 65 CD2 HIS A 5 9.319 0.474 -38.239 1.00 0.00 C ATOM 66 CE1 HIS A 5 8.502 1.971 -36.868 1.00 0.00 C ATOM 67 NE2 HIS A 5 9.054 1.805 -38.054 1.00 0.00 N ATOM 0 H HIS A 5 7.351 -1.956 -39.451 1.00 0.00 H new ATOM 0 HA HIS A 5 8.070 -3.543 -37.203 1.00 0.00 H new ATOM 0 HB2 HIS A 5 8.793 -1.741 -35.696 1.00 0.00 H new ATOM 0 HB3 HIS A 5 9.950 -2.021 -36.982 1.00 0.00 H new ATOM 0 HD1 HIS A 5 8.019 0.624 -35.357 1.00 0.00 H new ATOM 0 HD2 HIS A 5 9.770 0.027 -39.112 1.00 0.00 H new ATOM 0 HE1 HIS A 5 8.183 2.912 -36.446 1.00 0.00 H new ATOM 76 N ASP A 6 5.799 -2.942 -36.412 1.00 0.00 N ATOM 77 CA ASP A 6 4.431 -2.645 -36.003 1.00 0.00 C ATOM 78 C ASP A 6 4.429 -1.642 -34.855 1.00 0.00 C ATOM 79 O ASP A 6 3.565 -0.765 -34.780 1.00 0.00 O ATOM 80 CB ASP A 6 3.681 -3.926 -35.605 1.00 0.00 C ATOM 81 CG ASP A 6 4.183 -4.552 -34.316 1.00 0.00 C ATOM 82 OD1 ASP A 6 5.160 -5.331 -34.367 1.00 0.00 O ATOM 83 OD2 ASP A 6 3.590 -4.283 -33.247 1.00 0.00 O ATOM 0 H ASP A 6 6.150 -3.846 -36.096 1.00 0.00 H new ATOM 0 HA ASP A 6 3.910 -2.204 -36.853 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.621 -3.697 -35.498 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.771 -4.654 -36.411 1.00 0.00 H new ATOM 88 N GLU A 7 5.419 -1.758 -33.981 1.00 0.00 N ATOM 89 CA GLU A 7 5.551 -0.853 -32.855 1.00 0.00 C ATOM 90 C GLU A 7 6.206 0.445 -33.305 1.00 0.00 C ATOM 91 O GLU A 7 7.290 0.439 -33.887 1.00 0.00 O ATOM 92 CB GLU A 7 6.373 -1.509 -31.738 1.00 0.00 C ATOM 93 CG GLU A 7 6.651 -0.596 -30.553 1.00 0.00 C ATOM 94 CD GLU A 7 5.386 -0.108 -29.880 1.00 0.00 C ATOM 95 OE1 GLU A 7 4.758 0.832 -30.402 1.00 0.00 O ATOM 96 OE2 GLU A 7 5.024 -0.658 -28.821 1.00 0.00 O ATOM 0 H GLU A 7 6.144 -2.474 -34.033 1.00 0.00 H new ATOM 0 HA GLU A 7 4.558 -0.628 -32.465 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.844 -2.394 -31.385 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.322 -1.849 -32.152 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.262 -1.129 -29.825 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.232 0.262 -30.890 1.00 0.00 H new ATOM 103 N ARG A 8 5.532 1.554 -33.049 1.00 0.00 N ATOM 104 CA ARG A 8 6.055 2.867 -33.393 1.00 0.00 C ATOM 105 C ARG A 8 6.560 3.578 -32.145 1.00 0.00 C ATOM 106 O ARG A 8 7.034 4.713 -32.216 1.00 0.00 O ATOM 107 CB ARG A 8 4.989 3.691 -34.116 1.00 0.00 C ATOM 108 CG ARG A 8 4.991 3.469 -35.621 1.00 0.00 C ATOM 109 CD ARG A 8 3.590 3.520 -36.202 1.00 0.00 C ATOM 110 NE ARG A 8 2.821 2.323 -35.865 1.00 0.00 N ATOM 111 CZ ARG A 8 1.509 2.204 -36.050 1.00 0.00 C ATOM 112 NH1 ARG A 8 0.809 3.217 -36.551 1.00 0.00 N ATOM 113 NH2 ARG A 8 0.894 1.069 -35.736 1.00 0.00 N ATOM 0 H ARG A 8 4.616 1.571 -32.601 1.00 0.00 H new ATOM 0 HA ARG A 8 6.899 2.747 -34.072 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.007 3.436 -33.717 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.152 4.749 -33.909 1.00 0.00 H new ATOM 0 HG2 ARG A 8 5.610 4.228 -36.099 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.442 2.502 -35.845 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.072 4.403 -35.827 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.649 3.622 -37.286 1.00 0.00 H new ATOM 0 HE ARG A 8 3.321 1.530 -35.463 1.00 0.00 H new ATOM 0 HH11 ARG A 8 1.278 4.089 -36.795 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.197 3.122 -36.691 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.428 0.289 -35.353 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -0.112 0.978 -35.878 1.00 0.00 H new ATOM 127 N ARG A 9 6.436 2.885 -31.011 1.00 0.00 N ATOM 128 CA ARG A 9 7.042 3.293 -29.746 1.00 0.00 C ATOM 129 C ARG A 9 6.285 4.452 -29.104 1.00 0.00 C ATOM 130 O ARG A 9 6.226 5.556 -29.647 1.00 0.00 O ATOM 131 CB ARG A 9 8.517 3.657 -29.948 1.00 0.00 C ATOM 132 CG ARG A 9 9.326 3.683 -28.666 1.00 0.00 C ATOM 133 CD ARG A 9 10.770 4.060 -28.941 1.00 0.00 C ATOM 134 NE ARG A 9 11.624 3.847 -27.777 1.00 0.00 N ATOM 135 CZ ARG A 9 12.416 4.778 -27.251 1.00 0.00 C ATOM 136 NH1 ARG A 9 12.407 6.012 -27.738 1.00 0.00 N ATOM 137 NH2 ARG A 9 13.198 4.478 -26.222 1.00 0.00 N ATOM 0 H ARG A 9 5.906 2.016 -30.947 1.00 0.00 H new ATOM 0 HA ARG A 9 6.981 2.445 -29.064 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.967 2.940 -30.635 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.577 4.636 -30.424 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.887 4.397 -27.969 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.287 2.705 -28.187 1.00 0.00 H new ATOM 0 HD2 ARG A 9 11.145 3.471 -29.778 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.820 5.107 -29.240 1.00 0.00 H new ATOM 0 HE ARG A 9 11.613 2.926 -27.339 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.792 6.248 -28.517 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.015 6.724 -27.334 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.192 3.534 -25.835 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.805 5.191 -25.818 1.00 0.00 H new ATOM 151 N ARG A 10 5.693 4.186 -27.949 1.00 0.00 N ATOM 152 CA ARG A 10 5.003 5.212 -27.185 1.00 0.00 C ATOM 153 C ARG A 10 5.219 4.983 -25.693 1.00 0.00 C ATOM 154 O ARG A 10 4.950 3.897 -25.177 1.00 0.00 O ATOM 155 CB ARG A 10 3.509 5.218 -27.522 1.00 0.00 C ATOM 156 CG ARG A 10 2.752 6.387 -26.914 1.00 0.00 C ATOM 157 CD ARG A 10 1.341 6.495 -27.470 1.00 0.00 C ATOM 158 NE ARG A 10 1.338 6.664 -28.925 1.00 0.00 N ATOM 159 CZ ARG A 10 1.079 7.817 -29.541 1.00 0.00 C ATOM 160 NH1 ARG A 10 0.811 8.909 -28.836 1.00 0.00 N ATOM 161 NH2 ARG A 10 1.083 7.878 -30.865 1.00 0.00 N ATOM 0 H ARG A 10 5.678 3.261 -27.519 1.00 0.00 H new ATOM 0 HA ARG A 10 5.413 6.186 -27.451 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.390 5.243 -28.605 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.063 4.287 -27.173 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.708 6.268 -25.831 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.293 7.313 -27.112 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.778 5.599 -27.208 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.832 7.339 -27.006 1.00 0.00 H new ATOM 0 HE ARG A 10 1.547 5.849 -29.502 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.802 8.869 -27.817 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.614 9.789 -29.313 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.284 7.042 -31.413 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.885 8.761 -31.335 1.00 0.00 H new ATOM 175 N PHE A 11 5.711 6.006 -25.008 1.00 0.00 N ATOM 176 CA PHE A 11 6.054 5.892 -23.595 1.00 0.00 C ATOM 177 C PHE A 11 4.812 5.963 -22.709 1.00 0.00 C ATOM 178 O PHE A 11 3.696 6.164 -23.191 1.00 0.00 O ATOM 179 CB PHE A 11 7.064 6.978 -23.195 1.00 0.00 C ATOM 180 CG PHE A 11 6.599 8.388 -23.452 1.00 0.00 C ATOM 181 CD1 PHE A 11 6.833 8.999 -24.675 1.00 0.00 C ATOM 182 CD2 PHE A 11 5.940 9.106 -22.466 1.00 0.00 C ATOM 183 CE1 PHE A 11 6.416 10.296 -24.909 1.00 0.00 C ATOM 184 CE2 PHE A 11 5.520 10.402 -22.696 1.00 0.00 C ATOM 185 CZ PHE A 11 5.759 10.998 -23.919 1.00 0.00 C ATOM 0 H PHE A 11 5.883 6.928 -25.409 1.00 0.00 H new ATOM 0 HA PHE A 11 6.513 4.915 -23.444 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.292 6.872 -22.134 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.993 6.810 -23.739 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.347 8.455 -25.454 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.753 8.647 -21.507 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.604 10.760 -25.866 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.005 10.949 -21.920 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.432 12.011 -24.100 1.00 0.00 H new ATOM 195 N HIS A 12 5.015 5.799 -21.409 1.00 0.00 N ATOM 196 CA HIS A 12 3.917 5.800 -20.454 1.00 0.00 C ATOM 197 C HIS A 12 4.127 6.872 -19.391 1.00 0.00 C ATOM 198 O HIS A 12 5.229 7.022 -18.869 1.00 0.00 O ATOM 199 CB HIS A 12 3.799 4.433 -19.764 1.00 0.00 C ATOM 200 CG HIS A 12 3.397 3.305 -20.667 1.00 0.00 C ATOM 201 ND1 HIS A 12 4.234 2.257 -20.978 1.00 0.00 N ATOM 202 CD2 HIS A 12 2.228 3.049 -21.299 1.00 0.00 C ATOM 203 CE1 HIS A 12 3.599 1.407 -21.762 1.00 0.00 C ATOM 204 NE2 HIS A 12 2.377 1.861 -21.973 1.00 0.00 N ATOM 0 H HIS A 12 5.935 5.663 -20.991 1.00 0.00 H new ATOM 0 HA HIS A 12 3.001 6.011 -21.005 1.00 0.00 H new ATOM 0 HB2 HIS A 12 4.758 4.189 -19.306 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.071 4.511 -18.957 1.00 0.00 H new ATOM 0 HD1 HIS A 12 5.195 2.154 -20.653 1.00 0.00 H new ATOM 0 HD2 HIS A 12 1.341 3.665 -21.278 1.00 0.00 H new ATOM 0 HE1 HIS A 12 4.010 0.493 -22.164 1.00 0.00 H new ATOM 213 N ARG A 13 3.077 7.631 -19.092 1.00 0.00 N ATOM 214 CA ARG A 13 3.093 8.530 -17.943 1.00 0.00 C ATOM 215 C ARG A 13 2.920 7.717 -16.671 1.00 0.00 C ATOM 216 O ARG A 13 3.788 7.695 -15.801 1.00 0.00 O ATOM 217 CB ARG A 13 1.972 9.568 -18.039 1.00 0.00 C ATOM 218 CG ARG A 13 2.257 10.721 -18.985 1.00 0.00 C ATOM 219 CD ARG A 13 3.451 11.543 -18.521 1.00 0.00 C ATOM 220 NE ARG A 13 3.439 12.885 -19.096 1.00 0.00 N ATOM 221 CZ ARG A 13 4.445 13.420 -19.782 1.00 0.00 C ATOM 222 NH1 ARG A 13 5.574 12.743 -19.963 1.00 0.00 N ATOM 223 NH2 ARG A 13 4.328 14.645 -20.274 1.00 0.00 N ATOM 0 H ARG A 13 2.208 7.642 -19.627 1.00 0.00 H new ATOM 0 HA ARG A 13 4.047 9.057 -17.928 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.059 9.068 -18.361 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.781 9.970 -17.044 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.448 10.333 -19.986 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.378 11.362 -19.054 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.444 11.613 -17.433 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.374 11.035 -18.802 1.00 0.00 H new ATOM 0 HE ARG A 13 2.601 13.451 -18.962 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.674 11.805 -19.574 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.340 13.161 -20.490 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.469 15.174 -20.126 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.097 15.059 -20.801 1.00 0.00 H new ATOM 237 N ILE A 14 1.783 7.042 -16.588 1.00 0.00 N ATOM 238 CA ILE A 14 1.490 6.150 -15.481 1.00 0.00 C ATOM 239 C ILE A 14 1.896 4.726 -15.870 1.00 0.00 C ATOM 240 O ILE A 14 2.260 4.491 -17.025 1.00 0.00 O ATOM 241 CB ILE A 14 -0.012 6.205 -15.099 1.00 0.00 C ATOM 242 CG1 ILE A 14 -0.479 7.660 -14.967 1.00 0.00 C ATOM 243 CG2 ILE A 14 -0.266 5.465 -13.793 1.00 0.00 C ATOM 244 CD1 ILE A 14 0.241 8.445 -13.888 1.00 0.00 C ATOM 0 H ILE A 14 1.041 7.098 -17.285 1.00 0.00 H new ATOM 0 HA ILE A 14 2.059 6.468 -14.607 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.578 5.719 -15.893 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.338 8.164 -15.923 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.548 7.670 -14.756 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.326 5.517 -13.545 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.030 4.422 -13.902 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.316 5.926 -12.995 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.147 9.463 -13.859 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.080 7.967 -12.922 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.309 8.469 -14.107 1.00 0.00 H new ATOM 256 N ALA A 15 1.890 3.812 -14.893 1.00 0.00 N ATOM 257 CA ALA A 15 2.303 2.413 -15.073 1.00 0.00 C ATOM 258 C ALA A 15 3.818 2.294 -15.018 1.00 0.00 C ATOM 259 O ALA A 15 4.354 1.380 -14.393 1.00 0.00 O ATOM 260 CB ALA A 15 1.751 1.805 -16.360 1.00 0.00 C ATOM 0 H ALA A 15 1.594 4.025 -13.941 1.00 0.00 H new ATOM 0 HA ALA A 15 1.877 1.841 -14.249 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.085 0.771 -16.446 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.662 1.834 -16.338 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.112 2.375 -17.216 1.00 0.00 H new ATOM 266 N PHE A 16 4.498 3.232 -15.682 1.00 0.00 N ATOM 267 CA PHE A 16 5.959 3.356 -15.626 1.00 0.00 C ATOM 268 C PHE A 16 6.643 2.097 -16.155 1.00 0.00 C ATOM 269 O PHE A 16 7.847 1.911 -15.957 1.00 0.00 O ATOM 270 CB PHE A 16 6.423 3.626 -14.187 1.00 0.00 C ATOM 271 CG PHE A 16 5.623 4.676 -13.464 1.00 0.00 C ATOM 272 CD1 PHE A 16 5.842 6.025 -13.692 1.00 0.00 C ATOM 273 CD2 PHE A 16 4.654 4.306 -12.544 1.00 0.00 C ATOM 274 CE1 PHE A 16 5.109 6.983 -13.016 1.00 0.00 C ATOM 275 CE2 PHE A 16 3.919 5.257 -11.868 1.00 0.00 C ATOM 276 CZ PHE A 16 4.146 6.598 -12.104 1.00 0.00 C ATOM 0 H PHE A 16 4.050 3.930 -16.276 1.00 0.00 H new ATOM 0 HA PHE A 16 6.241 4.197 -16.260 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.374 2.695 -13.621 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.469 3.932 -14.207 1.00 0.00 H new ATOM 0 HD1 PHE A 16 6.593 6.331 -14.405 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.472 3.258 -12.354 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.289 8.032 -13.201 1.00 0.00 H new ATOM 0 HE2 PHE A 16 3.167 4.953 -11.155 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.571 7.345 -11.576 1.00 0.00 H new ATOM 286 N ASP A 17 5.868 1.244 -16.825 1.00 0.00 N ATOM 287 CA ASP A 17 6.349 -0.055 -17.294 1.00 0.00 C ATOM 288 C ASP A 17 6.874 -0.885 -16.127 1.00 0.00 C ATOM 289 O ASP A 17 7.740 -1.747 -16.294 1.00 0.00 O ATOM 290 CB ASP A 17 7.427 0.115 -18.371 1.00 0.00 C ATOM 291 CG ASP A 17 6.840 0.468 -19.722 1.00 0.00 C ATOM 292 OD1 ASP A 17 6.596 -0.457 -20.526 1.00 0.00 O ATOM 293 OD2 ASP A 17 6.609 1.669 -19.988 1.00 0.00 O ATOM 0 H ASP A 17 4.893 1.433 -17.057 1.00 0.00 H new ATOM 0 HA ASP A 17 5.510 -0.587 -17.742 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.123 0.896 -18.065 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.001 -0.808 -18.457 1.00 0.00 H new ATOM 298 N ALA A 18 6.324 -0.624 -14.945 1.00 0.00 N ATOM 299 CA ALA A 18 6.694 -1.346 -13.739 1.00 0.00 C ATOM 300 C ALA A 18 5.883 -2.629 -13.626 1.00 0.00 C ATOM 301 O ALA A 18 4.993 -2.883 -14.439 1.00 0.00 O ATOM 302 CB ALA A 18 6.478 -0.466 -12.514 1.00 0.00 C ATOM 0 H ALA A 18 5.612 0.092 -14.800 1.00 0.00 H new ATOM 0 HA ALA A 18 7.750 -1.609 -13.794 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.758 -1.017 -11.616 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.093 0.430 -12.597 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.428 -0.181 -12.452 1.00 0.00 H new ATOM 308 N ASP A 19 6.181 -3.436 -12.623 1.00 0.00 N ATOM 309 CA ASP A 19 5.470 -4.696 -12.437 1.00 0.00 C ATOM 310 C ASP A 19 4.337 -4.518 -11.439 1.00 0.00 C ATOM 311 O ASP A 19 4.547 -4.016 -10.335 1.00 0.00 O ATOM 312 CB ASP A 19 6.418 -5.801 -11.964 1.00 0.00 C ATOM 313 CG ASP A 19 7.515 -6.104 -12.967 1.00 0.00 C ATOM 314 OD1 ASP A 19 7.196 -6.342 -14.154 1.00 0.00 O ATOM 315 OD2 ASP A 19 8.700 -6.112 -12.571 1.00 0.00 O ATOM 0 H ASP A 19 6.904 -3.247 -11.928 1.00 0.00 H new ATOM 0 HA ASP A 19 5.055 -4.994 -13.400 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.869 -5.505 -11.017 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.845 -6.708 -11.774 1.00 0.00 H new ATOM 320 N SER A 20 3.141 -4.919 -11.831 1.00 0.00 N ATOM 321 CA SER A 20 1.969 -4.754 -10.987 1.00 0.00 C ATOM 322 C SER A 20 1.217 -6.068 -10.824 1.00 0.00 C ATOM 323 O SER A 20 0.981 -6.779 -11.796 1.00 0.00 O ATOM 324 CB SER A 20 1.054 -3.692 -11.591 1.00 0.00 C ATOM 325 OG SER A 20 0.899 -3.887 -12.988 1.00 0.00 O ATOM 0 H SER A 20 2.955 -5.362 -12.730 1.00 0.00 H new ATOM 0 HA SER A 20 2.296 -4.434 -9.997 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.079 -3.728 -11.105 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.467 -2.701 -11.402 1.00 0.00 H new ATOM 0 HG SER A 20 0.644 -4.817 -13.162 1.00 0.00 H new ATOM 331 N GLU A 21 0.854 -6.389 -9.592 1.00 0.00 N ATOM 332 CA GLU A 21 0.071 -7.585 -9.314 1.00 0.00 C ATOM 333 C GLU A 21 -1.224 -7.216 -8.600 1.00 0.00 C ATOM 334 O GLU A 21 -1.286 -6.213 -7.900 1.00 0.00 O ATOM 335 CB GLU A 21 0.864 -8.569 -8.447 1.00 0.00 C ATOM 336 CG GLU A 21 2.236 -8.914 -9.000 1.00 0.00 C ATOM 337 CD GLU A 21 2.900 -10.044 -8.240 1.00 0.00 C ATOM 338 OE1 GLU A 21 3.049 -11.138 -8.813 1.00 0.00 O ATOM 339 OE2 GLU A 21 3.278 -9.850 -7.064 1.00 0.00 O ATOM 0 H GLU A 21 1.089 -5.838 -8.767 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.161 -8.061 -10.267 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.982 -8.145 -7.450 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.287 -9.487 -8.337 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.142 -9.192 -10.050 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.873 -8.030 -8.961 1.00 0.00 H new ATOM 346 N ILE A 22 -2.257 -8.014 -8.799 1.00 0.00 N ATOM 347 CA ILE A 22 -3.493 -7.870 -8.051 1.00 0.00 C ATOM 348 C ILE A 22 -3.688 -9.096 -7.175 1.00 0.00 C ATOM 349 O ILE A 22 -3.572 -10.228 -7.646 1.00 0.00 O ATOM 350 CB ILE A 22 -4.716 -7.679 -8.975 1.00 0.00 C ATOM 351 CG1 ILE A 22 -4.601 -6.347 -9.720 1.00 0.00 C ATOM 352 CG2 ILE A 22 -6.012 -7.730 -8.173 1.00 0.00 C ATOM 353 CD1 ILE A 22 -5.747 -6.078 -10.671 1.00 0.00 C ATOM 0 H ILE A 22 -2.264 -8.775 -9.478 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.414 -6.974 -7.436 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.735 -8.492 -9.701 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.548 -5.538 -8.992 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.666 -6.334 -10.280 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.860 -7.593 -8.844 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.094 -8.697 -7.676 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.009 -6.937 -7.426 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.595 -5.117 -11.161 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.789 -6.866 -11.423 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.684 -6.057 -10.115 1.00 0.00 H new ATOM 365 N LEU A 23 -3.955 -8.870 -5.902 1.00 0.00 N ATOM 366 CA LEU A 23 -4.052 -9.963 -4.948 1.00 0.00 C ATOM 367 C LEU A 23 -5.472 -10.117 -4.424 1.00 0.00 C ATOM 368 O LEU A 23 -6.236 -9.153 -4.382 1.00 0.00 O ATOM 369 CB LEU A 23 -3.114 -9.717 -3.765 1.00 0.00 C ATOM 370 CG LEU A 23 -1.649 -9.444 -4.114 1.00 0.00 C ATOM 371 CD1 LEU A 23 -0.851 -9.185 -2.848 1.00 0.00 C ATOM 372 CD2 LEU A 23 -1.054 -10.608 -4.886 1.00 0.00 C ATOM 0 H LEU A 23 -4.108 -7.943 -5.504 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.766 -10.877 -5.468 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.495 -8.869 -3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.154 -10.586 -3.108 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.603 -8.558 -4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.190 -8.992 -3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.262 -8.319 -2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.907 -10.058 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.012 -10.392 -5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.108 -11.512 -4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.614 -10.756 -5.810 1.00 0.00 H new ATOM 384 N GLN A 24 -5.800 -11.338 -4.028 1.00 0.00 N ATOM 385 CA GLN A 24 -7.050 -11.639 -3.344 1.00 0.00 C ATOM 386 C GLN A 24 -6.811 -12.777 -2.357 1.00 0.00 C ATOM 387 O GLN A 24 -6.873 -13.952 -2.720 1.00 0.00 O ATOM 388 CB GLN A 24 -8.152 -12.013 -4.346 1.00 0.00 C ATOM 389 CG GLN A 24 -9.447 -12.492 -3.697 1.00 0.00 C ATOM 390 CD GLN A 24 -10.089 -11.452 -2.799 1.00 0.00 C ATOM 391 OE1 GLN A 24 -9.972 -10.256 -3.031 1.00 0.00 O ATOM 392 NE2 GLN A 24 -10.773 -11.910 -1.765 1.00 0.00 N ATOM 0 H GLN A 24 -5.203 -12.153 -4.173 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.387 -10.753 -2.806 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.370 -11.147 -4.970 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.778 -12.796 -5.006 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.154 -12.774 -4.478 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.242 -13.389 -3.113 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -10.846 -12.915 -1.607 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -11.227 -11.258 -1.125 1.00 0.00 H new ATOM 401 N GLY A 25 -6.493 -12.420 -1.118 1.00 0.00 N ATOM 402 CA GLY A 25 -6.139 -13.418 -0.127 1.00 0.00 C ATOM 403 C GLY A 25 -4.792 -14.044 -0.433 1.00 0.00 C ATOM 404 O GLY A 25 -3.748 -13.513 -0.049 1.00 0.00 O ATOM 0 H GLY A 25 -6.474 -11.457 -0.782 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.113 -12.959 0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.905 -14.193 -0.099 1.00 0.00 H new ATOM 408 N GLU A 26 -4.811 -15.166 -1.133 1.00 0.00 N ATOM 409 CA GLU A 26 -3.586 -15.794 -1.598 1.00 0.00 C ATOM 410 C GLU A 26 -3.584 -15.906 -3.122 1.00 0.00 C ATOM 411 O GLU A 26 -2.644 -16.432 -3.714 1.00 0.00 O ATOM 412 CB GLU A 26 -3.372 -17.162 -0.933 1.00 0.00 C ATOM 413 CG GLU A 26 -4.642 -17.830 -0.424 1.00 0.00 C ATOM 414 CD GLU A 26 -5.609 -18.182 -1.529 1.00 0.00 C ATOM 415 OE1 GLU A 26 -6.550 -17.394 -1.772 1.00 0.00 O ATOM 416 OE2 GLU A 26 -5.431 -19.246 -2.155 1.00 0.00 O ATOM 0 H GLU A 26 -5.664 -15.662 -1.392 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.749 -15.160 -1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.890 -17.827 -1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.682 -17.040 -0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.376 -18.736 0.120 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.136 -17.166 0.285 1.00 0.00 H new ATOM 423 N ARG A 27 -4.637 -15.388 -3.750 1.00 0.00 N ATOM 424 CA ARG A 27 -4.691 -15.291 -5.202 1.00 0.00 C ATOM 425 C ARG A 27 -3.802 -14.145 -5.662 1.00 0.00 C ATOM 426 O ARG A 27 -3.768 -13.091 -5.025 1.00 0.00 O ATOM 427 CB ARG A 27 -6.125 -15.047 -5.687 1.00 0.00 C ATOM 428 CG ARG A 27 -6.906 -16.304 -6.047 1.00 0.00 C ATOM 429 CD ARG A 27 -7.198 -17.182 -4.842 1.00 0.00 C ATOM 430 NE ARG A 27 -8.159 -18.234 -5.171 1.00 0.00 N ATOM 431 CZ ARG A 27 -8.688 -19.070 -4.280 1.00 0.00 C ATOM 432 NH1 ARG A 27 -8.270 -19.060 -3.024 1.00 0.00 N ATOM 433 NH2 ARG A 27 -9.616 -19.939 -4.657 1.00 0.00 N ATOM 0 H ARG A 27 -5.464 -15.029 -3.273 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.341 -16.233 -5.624 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.669 -14.510 -4.910 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.091 -14.396 -6.561 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.846 -16.019 -6.519 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.342 -16.879 -6.781 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.272 -17.632 -4.484 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.590 -16.570 -4.030 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.442 -18.334 -6.146 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.539 -18.410 -2.735 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.679 -19.703 -2.345 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.924 -19.967 -5.629 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.022 -20.580 -3.975 1.00 0.00 H new ATOM 447 N ARG A 28 -3.087 -14.346 -6.756 1.00 0.00 N ATOM 448 CA ARG A 28 -2.164 -13.332 -7.243 1.00 0.00 C ATOM 449 C ARG A 28 -2.092 -13.327 -8.765 1.00 0.00 C ATOM 450 O ARG A 28 -1.737 -14.329 -9.387 1.00 0.00 O ATOM 451 CB ARG A 28 -0.777 -13.534 -6.625 1.00 0.00 C ATOM 452 CG ARG A 28 -0.261 -14.963 -6.684 1.00 0.00 C ATOM 453 CD ARG A 28 0.965 -15.132 -5.802 1.00 0.00 C ATOM 454 NE ARG A 28 1.460 -16.507 -5.792 1.00 0.00 N ATOM 455 CZ ARG A 28 1.067 -17.428 -4.914 1.00 0.00 C ATOM 456 NH1 ARG A 28 0.120 -17.146 -4.029 1.00 0.00 N ATOM 457 NH2 ARG A 28 1.608 -18.637 -4.923 1.00 0.00 N ATOM 0 H ARG A 28 -3.126 -15.195 -7.321 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.540 -12.357 -6.935 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.067 -12.884 -7.137 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.808 -13.215 -5.583 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.043 -15.650 -6.362 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.012 -15.222 -7.713 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.755 -14.467 -6.152 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.721 -14.829 -4.784 1.00 0.00 H new ATOM 0 HE ARG A 28 2.145 -16.777 -6.498 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.310 -16.221 -4.019 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.178 -17.854 -3.358 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.330 -18.867 -5.605 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.302 -19.338 -4.248 1.00 0.00 H new ATOM 471 N TRP A 29 -2.458 -12.194 -9.349 1.00 0.00 N ATOM 472 CA TRP A 29 -2.410 -12.012 -10.798 1.00 0.00 C ATOM 473 C TRP A 29 -1.390 -10.943 -11.180 1.00 0.00 C ATOM 474 O TRP A 29 -1.568 -9.781 -10.836 1.00 0.00 O ATOM 475 CB TRP A 29 -3.775 -11.563 -11.340 1.00 0.00 C ATOM 476 CG TRP A 29 -4.890 -12.547 -11.168 1.00 0.00 C ATOM 477 CD1 TRP A 29 -5.281 -13.500 -12.060 1.00 0.00 C ATOM 478 CD2 TRP A 29 -5.784 -12.651 -10.053 1.00 0.00 C ATOM 479 NE1 TRP A 29 -6.358 -14.194 -11.569 1.00 0.00 N ATOM 480 CE2 TRP A 29 -6.684 -13.695 -10.337 1.00 0.00 C ATOM 481 CE3 TRP A 29 -5.906 -11.968 -8.841 1.00 0.00 C ATOM 482 CZ2 TRP A 29 -7.695 -14.067 -9.456 1.00 0.00 C ATOM 483 CZ3 TRP A 29 -6.909 -12.339 -7.966 1.00 0.00 C ATOM 484 CH2 TRP A 29 -7.790 -13.381 -8.277 1.00 0.00 C ATOM 0 H TRP A 29 -2.795 -11.378 -8.838 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.130 -12.973 -11.228 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.055 -10.633 -10.846 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.670 -11.341 -12.402 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.811 -13.683 -13.015 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.838 -14.958 -12.045 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.229 -11.164 -8.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.379 -14.868 -9.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -7.015 -11.816 -7.027 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.562 -13.649 -7.570 1.00 0.00 H new ATOM 495 N GLU A 30 -0.332 -11.313 -11.888 1.00 0.00 N ATOM 496 CA GLU A 30 0.568 -10.307 -12.441 1.00 0.00 C ATOM 497 C GLU A 30 -0.126 -9.639 -13.630 1.00 0.00 C ATOM 498 O GLU A 30 -0.240 -10.226 -14.706 1.00 0.00 O ATOM 499 CB GLU A 30 1.909 -10.921 -12.862 1.00 0.00 C ATOM 500 CG GLU A 30 2.993 -9.881 -13.112 1.00 0.00 C ATOM 501 CD GLU A 30 4.314 -10.486 -13.550 1.00 0.00 C ATOM 502 OE1 GLU A 30 4.915 -11.252 -12.767 1.00 0.00 O ATOM 503 OE2 GLU A 30 4.768 -10.188 -14.674 1.00 0.00 O ATOM 0 H GLU A 30 -0.078 -12.280 -12.091 1.00 0.00 H new ATOM 0 HA GLU A 30 0.791 -9.563 -11.676 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.246 -11.608 -12.086 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.763 -11.510 -13.768 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.649 -9.184 -13.876 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.150 -9.303 -12.201 1.00 0.00 H new ATOM 510 N VAL A 31 -0.597 -8.420 -13.421 1.00 0.00 N ATOM 511 CA VAL A 31 -1.508 -7.779 -14.359 1.00 0.00 C ATOM 512 C VAL A 31 -0.875 -6.539 -15.000 1.00 0.00 C ATOM 513 O VAL A 31 0.175 -6.068 -14.562 1.00 0.00 O ATOM 514 CB VAL A 31 -2.824 -7.396 -13.639 1.00 0.00 C ATOM 515 CG1 VAL A 31 -2.617 -6.195 -12.723 1.00 0.00 C ATOM 516 CG2 VAL A 31 -3.948 -7.142 -14.632 1.00 0.00 C ATOM 0 H VAL A 31 -0.363 -7.852 -12.607 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.726 -8.490 -15.156 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.120 -8.243 -13.020 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.557 -5.947 -12.230 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.865 -6.436 -11.971 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.280 -5.342 -13.312 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.857 -6.876 -14.092 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.668 -6.325 -15.297 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.125 -8.043 -15.219 1.00 0.00 H new ATOM 526 N LEU A 32 -1.527 -6.018 -16.037 1.00 0.00 N ATOM 527 CA LEU A 32 -1.039 -4.848 -16.753 1.00 0.00 C ATOM 528 C LEU A 32 -1.590 -3.559 -16.146 1.00 0.00 C ATOM 529 O LEU A 32 -2.791 -3.280 -16.232 1.00 0.00 O ATOM 530 CB LEU A 32 -1.444 -4.930 -18.227 1.00 0.00 C ATOM 531 CG LEU A 32 -0.880 -3.824 -19.126 1.00 0.00 C ATOM 532 CD1 LEU A 32 0.641 -3.874 -19.151 1.00 0.00 C ATOM 533 CD2 LEU A 32 -1.443 -3.946 -20.533 1.00 0.00 C ATOM 0 H LEU A 32 -2.403 -6.394 -16.401 1.00 0.00 H new ATOM 0 HA LEU A 32 0.048 -4.833 -16.670 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.123 -5.894 -18.621 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.532 -4.906 -18.289 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.181 -2.860 -18.716 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.021 -3.081 -19.795 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.026 -3.737 -18.141 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.967 -4.840 -19.535 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.033 -3.154 -21.159 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.172 -4.916 -20.951 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.529 -3.857 -20.499 1.00 0.00 H new ATOM 545 N LEU A 33 -0.712 -2.782 -15.533 1.00 0.00 N ATOM 546 CA LEU A 33 -1.083 -1.484 -14.992 1.00 0.00 C ATOM 547 C LEU A 33 -1.259 -0.476 -16.127 1.00 0.00 C ATOM 548 O LEU A 33 -0.604 -0.575 -17.167 1.00 0.00 O ATOM 549 CB LEU A 33 -0.014 -1.003 -14.004 1.00 0.00 C ATOM 550 CG LEU A 33 -0.301 0.329 -13.304 1.00 0.00 C ATOM 551 CD1 LEU A 33 -1.628 0.275 -12.564 1.00 0.00 C ATOM 552 CD2 LEU A 33 0.824 0.671 -12.340 1.00 0.00 C ATOM 0 H LEU A 33 0.268 -3.029 -15.397 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.030 -1.575 -14.460 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.120 -1.770 -13.242 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.933 -0.915 -14.537 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.363 1.108 -14.064 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.811 1.232 -12.075 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.431 0.070 -13.272 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.595 -0.516 -11.814 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.607 1.620 -11.850 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.911 -0.114 -11.589 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.762 0.753 -12.890 1.00 0.00 H new ATOM 564 N HIS A 34 -2.164 0.471 -15.940 1.00 0.00 N ATOM 565 CA HIS A 34 -2.408 1.497 -16.944 1.00 0.00 C ATOM 566 C HIS A 34 -2.240 2.890 -16.359 1.00 0.00 C ATOM 567 O HIS A 34 -1.189 3.512 -16.505 1.00 0.00 O ATOM 568 CB HIS A 34 -3.808 1.352 -17.548 1.00 0.00 C ATOM 569 CG HIS A 34 -3.860 0.485 -18.765 1.00 0.00 C ATOM 570 ND1 HIS A 34 -4.282 0.947 -19.992 1.00 0.00 N ATOM 571 CD2 HIS A 34 -3.552 -0.821 -18.944 1.00 0.00 C ATOM 572 CE1 HIS A 34 -4.232 -0.034 -20.872 1.00 0.00 C ATOM 573 NE2 HIS A 34 -3.792 -1.119 -20.263 1.00 0.00 N ATOM 0 H HIS A 34 -2.742 0.552 -15.103 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.669 1.361 -17.734 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.477 0.940 -16.793 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -4.186 2.342 -17.804 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -4.586 1.900 -20.189 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.186 -1.502 -18.190 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.505 0.038 -21.914 1.00 0.00 H new ATOM 582 N ASP A 35 -3.270 3.358 -15.670 1.00 0.00 N ATOM 583 CA ASP A 35 -3.309 4.730 -15.180 1.00 0.00 C ATOM 584 C ASP A 35 -3.770 4.738 -13.730 1.00 0.00 C ATOM 585 O ASP A 35 -4.280 3.735 -13.242 1.00 0.00 O ATOM 586 CB ASP A 35 -4.245 5.575 -16.057 1.00 0.00 C ATOM 587 CG ASP A 35 -3.842 5.555 -17.524 1.00 0.00 C ATOM 588 OD1 ASP A 35 -3.182 6.510 -17.979 1.00 0.00 O ATOM 589 OD2 ASP A 35 -4.188 4.574 -18.231 1.00 0.00 O ATOM 0 H ASP A 35 -4.095 2.805 -15.436 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.311 5.165 -15.232 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.265 5.203 -15.958 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.245 6.604 -15.697 1.00 0.00 H new ATOM 594 N VAL A 36 -3.587 5.850 -13.028 1.00 0.00 N ATOM 595 CA VAL A 36 -3.941 5.903 -11.612 1.00 0.00 C ATOM 596 C VAL A 36 -4.111 7.342 -11.129 1.00 0.00 C ATOM 597 O VAL A 36 -3.547 8.277 -11.699 1.00 0.00 O ATOM 598 CB VAL A 36 -2.876 5.186 -10.737 1.00 0.00 C ATOM 599 CG1 VAL A 36 -1.570 5.968 -10.701 1.00 0.00 C ATOM 600 CG2 VAL A 36 -3.392 4.941 -9.325 1.00 0.00 C ATOM 0 H VAL A 36 -3.202 6.715 -13.407 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.894 5.384 -11.507 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.678 4.218 -11.198 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.846 5.439 -10.081 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.177 6.067 -11.713 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.750 6.959 -10.284 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.623 4.438 -8.739 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.639 5.894 -8.857 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.284 4.315 -9.367 1.00 0.00 H new ATOM 610 N SER A 37 -4.919 7.502 -10.095 1.00 0.00 N ATOM 611 CA SER A 37 -5.068 8.766 -9.404 1.00 0.00 C ATOM 612 C SER A 37 -5.126 8.494 -7.909 1.00 0.00 C ATOM 613 O SER A 37 -5.065 7.344 -7.483 1.00 0.00 O ATOM 614 CB SER A 37 -6.341 9.490 -9.854 1.00 0.00 C ATOM 615 OG SER A 37 -7.490 8.686 -9.636 1.00 0.00 O ATOM 0 H SER A 37 -5.493 6.752 -9.711 1.00 0.00 H new ATOM 0 HA SER A 37 -4.219 9.408 -9.639 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.441 10.429 -9.309 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.265 9.742 -10.912 1.00 0.00 H new ATOM 0 HG SER A 37 -7.231 7.741 -9.627 1.00 0.00 H new ATOM 621 N LEU A 38 -5.284 9.539 -7.117 1.00 0.00 N ATOM 622 CA LEU A 38 -5.399 9.380 -5.674 1.00 0.00 C ATOM 623 C LEU A 38 -6.841 9.048 -5.309 1.00 0.00 C ATOM 624 O LEU A 38 -7.198 8.947 -4.139 1.00 0.00 O ATOM 625 CB LEU A 38 -4.959 10.662 -4.963 1.00 0.00 C ATOM 626 CG LEU A 38 -3.561 11.164 -5.330 1.00 0.00 C ATOM 627 CD1 LEU A 38 -3.259 12.467 -4.609 1.00 0.00 C ATOM 628 CD2 LEU A 38 -2.508 10.116 -4.998 1.00 0.00 C ATOM 0 H LEU A 38 -5.336 10.504 -7.444 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.751 8.565 -5.353 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.680 11.448 -5.187 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.996 10.492 -3.887 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.534 11.347 -6.404 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.261 12.810 -4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.993 13.220 -4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.306 12.306 -3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.521 10.494 -5.267 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.535 9.899 -3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.713 9.204 -5.559 1.00 0.00 H new ATOM 640 N HIS A 39 -7.664 8.890 -6.339 1.00 0.00 N ATOM 641 CA HIS A 39 -9.102 8.693 -6.166 1.00 0.00 C ATOM 642 C HIS A 39 -9.509 7.332 -6.701 1.00 0.00 C ATOM 643 O HIS A 39 -10.631 6.871 -6.493 1.00 0.00 O ATOM 644 CB HIS A 39 -9.889 9.775 -6.917 1.00 0.00 C ATOM 645 CG HIS A 39 -9.199 11.102 -6.971 1.00 0.00 C ATOM 646 ND1 HIS A 39 -9.130 11.870 -8.106 1.00 0.00 N ATOM 647 CD2 HIS A 39 -8.514 11.773 -6.027 1.00 0.00 C ATOM 648 CE1 HIS A 39 -8.428 12.955 -7.856 1.00 0.00 C ATOM 649 NE2 HIS A 39 -8.044 12.925 -6.600 1.00 0.00 N ATOM 0 H HIS A 39 -7.358 8.894 -7.312 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.327 8.756 -5.101 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -10.077 9.433 -7.935 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.860 9.901 -6.439 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.362 11.460 -5.004 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.205 13.739 -8.565 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -7.489 13.640 -6.130 1.00 0.00 H new ATOM 658 N GLY A 40 -8.580 6.696 -7.391 1.00 0.00 N ATOM 659 CA GLY A 40 -8.876 5.442 -8.054 1.00 0.00 C ATOM 660 C GLY A 40 -7.782 5.025 -9.016 1.00 0.00 C ATOM 661 O GLY A 40 -7.031 5.866 -9.510 1.00 0.00 O ATOM 0 H GLY A 40 -7.621 7.025 -7.506 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.014 4.662 -7.305 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.817 5.534 -8.596 1.00 0.00 H new ATOM 665 N ILE A 41 -7.702 3.731 -9.288 1.00 0.00 N ATOM 666 CA ILE A 41 -6.673 3.186 -10.165 1.00 0.00 C ATOM 667 C ILE A 41 -7.313 2.440 -11.339 1.00 0.00 C ATOM 668 O ILE A 41 -8.371 1.826 -11.190 1.00 0.00 O ATOM 669 CB ILE A 41 -5.719 2.247 -9.385 1.00 0.00 C ATOM 670 CG1 ILE A 41 -4.651 1.650 -10.307 1.00 0.00 C ATOM 671 CG2 ILE A 41 -6.501 1.143 -8.693 1.00 0.00 C ATOM 672 CD1 ILE A 41 -3.645 0.776 -9.587 1.00 0.00 C ATOM 0 H ILE A 41 -8.343 3.033 -8.911 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.086 4.017 -10.556 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.213 2.843 -8.626 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.141 1.061 -11.083 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.122 2.461 -10.808 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.813 0.495 -8.151 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.211 1.584 -7.994 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.041 0.558 -9.438 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.921 0.389 -10.304 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.127 1.365 -8.830 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.162 -0.056 -9.109 1.00 0.00 H new ATOM 684 N LEU A 42 -6.677 2.513 -12.500 1.00 0.00 N ATOM 685 CA LEU A 42 -7.201 1.905 -13.715 1.00 0.00 C ATOM 686 C LEU A 42 -6.200 0.897 -14.281 1.00 0.00 C ATOM 687 O LEU A 42 -5.084 1.260 -14.658 1.00 0.00 O ATOM 688 CB LEU A 42 -7.489 2.996 -14.752 1.00 0.00 C ATOM 689 CG LEU A 42 -8.115 2.517 -16.063 1.00 0.00 C ATOM 690 CD1 LEU A 42 -9.520 1.992 -15.825 1.00 0.00 C ATOM 691 CD2 LEU A 42 -8.129 3.644 -17.084 1.00 0.00 C ATOM 0 H LEU A 42 -5.786 2.994 -12.626 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.126 1.379 -13.477 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.154 3.733 -14.302 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.555 3.508 -14.983 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.510 1.701 -16.457 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.948 1.656 -16.770 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.483 1.156 -15.126 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.139 2.786 -15.408 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.577 3.289 -18.012 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.712 4.479 -16.696 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.108 3.973 -17.277 1.00 0.00 H new ATOM 703 N VAL A 43 -6.596 -0.365 -14.333 1.00 0.00 N ATOM 704 CA VAL A 43 -5.731 -1.414 -14.865 1.00 0.00 C ATOM 705 C VAL A 43 -6.384 -2.097 -16.062 1.00 0.00 C ATOM 706 O VAL A 43 -7.557 -1.856 -16.358 1.00 0.00 O ATOM 707 CB VAL A 43 -5.392 -2.482 -13.801 1.00 0.00 C ATOM 708 CG1 VAL A 43 -4.662 -1.860 -12.620 1.00 0.00 C ATOM 709 CG2 VAL A 43 -6.648 -3.202 -13.338 1.00 0.00 C ATOM 0 H VAL A 43 -7.509 -0.691 -14.015 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.806 -0.928 -15.175 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.729 -3.215 -14.260 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.435 -2.632 -11.885 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.734 -1.403 -12.965 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.293 -1.098 -12.162 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.384 -3.949 -12.589 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.341 -2.482 -12.903 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.121 -3.692 -14.189 1.00 0.00 H new ATOM 719 N GLY A 44 -5.622 -2.943 -16.747 1.00 0.00 N ATOM 720 CA GLY A 44 -6.163 -3.684 -17.867 1.00 0.00 C ATOM 721 C GLY A 44 -6.023 -5.174 -17.656 1.00 0.00 C ATOM 722 O GLY A 44 -4.908 -5.697 -17.614 1.00 0.00 O ATOM 0 H GLY A 44 -4.639 -3.128 -16.545 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.215 -3.430 -18.000 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.647 -3.394 -18.782 1.00 0.00 H new ATOM 726 N GLN A 45 -7.148 -5.856 -17.508 1.00 0.00 N ATOM 727 CA GLN A 45 -7.142 -7.284 -17.221 1.00 0.00 C ATOM 728 C GLN A 45 -7.716 -8.070 -18.393 1.00 0.00 C ATOM 729 O GLN A 45 -8.620 -7.595 -19.079 1.00 0.00 O ATOM 730 CB GLN A 45 -7.953 -7.581 -15.959 1.00 0.00 C ATOM 731 CG GLN A 45 -7.476 -6.824 -14.732 1.00 0.00 C ATOM 732 CD GLN A 45 -8.255 -7.186 -13.487 1.00 0.00 C ATOM 733 OE1 GLN A 45 -8.442 -6.359 -12.599 1.00 0.00 O ATOM 734 NE2 GLN A 45 -8.706 -8.430 -13.407 1.00 0.00 N ATOM 0 H GLN A 45 -8.078 -5.444 -17.582 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.108 -7.591 -17.061 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.998 -7.334 -16.143 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.910 -8.651 -15.754 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.419 -7.033 -14.569 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.565 -5.753 -14.913 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.529 -9.087 -14.167 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.230 -8.731 -12.585 1.00 0.00 H new ATOM 743 N PRO A 46 -7.190 -9.282 -18.637 1.00 0.00 N ATOM 744 CA PRO A 46 -7.672 -10.150 -19.715 1.00 0.00 C ATOM 745 C PRO A 46 -9.133 -10.563 -19.523 1.00 0.00 C ATOM 746 O PRO A 46 -9.978 -10.274 -20.372 1.00 0.00 O ATOM 747 CB PRO A 46 -6.745 -11.370 -19.642 1.00 0.00 C ATOM 748 CG PRO A 46 -6.160 -11.334 -18.271 1.00 0.00 C ATOM 749 CD PRO A 46 -6.068 -9.885 -17.899 1.00 0.00 C ATOM 0 HA PRO A 46 -7.649 -9.647 -20.682 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.297 -12.295 -19.811 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.967 -11.320 -20.404 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.787 -11.879 -17.565 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.177 -11.804 -18.254 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.166 -9.737 -16.824 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.112 -9.452 -18.194 1.00 0.00 H new ATOM 757 N GLN A 47 -9.424 -11.228 -18.400 1.00 0.00 N ATOM 758 CA GLN A 47 -10.781 -11.697 -18.108 1.00 0.00 C ATOM 759 C GLN A 47 -10.834 -12.444 -16.775 1.00 0.00 C ATOM 760 O GLN A 47 -11.775 -12.268 -16.000 1.00 0.00 O ATOM 761 CB GLN A 47 -11.288 -12.611 -19.228 1.00 0.00 C ATOM 762 CG GLN A 47 -12.703 -13.124 -19.013 1.00 0.00 C ATOM 763 CD GLN A 47 -13.241 -13.863 -20.222 1.00 0.00 C ATOM 764 OE1 GLN A 47 -12.885 -13.555 -21.362 1.00 0.00 O ATOM 765 NE2 GLN A 47 -14.091 -14.845 -19.985 1.00 0.00 N ATOM 0 H GLN A 47 -8.738 -11.453 -17.679 1.00 0.00 H new ATOM 0 HA GLN A 47 -11.424 -10.819 -18.041 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -11.249 -12.068 -20.172 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.614 -13.462 -19.322 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -12.718 -13.788 -18.149 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -13.359 -12.285 -18.782 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -14.359 -15.067 -19.026 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -14.479 -15.382 -20.761 1.00 0.00 H new ATOM 774 N ASP A 48 -9.824 -13.273 -16.520 1.00 0.00 N ATOM 775 CA ASP A 48 -9.794 -14.105 -15.314 1.00 0.00 C ATOM 776 C ASP A 48 -9.855 -13.253 -14.050 1.00 0.00 C ATOM 777 O ASP A 48 -9.116 -12.278 -13.908 1.00 0.00 O ATOM 778 CB ASP A 48 -8.539 -14.986 -15.300 1.00 0.00 C ATOM 779 CG ASP A 48 -8.497 -15.932 -14.111 1.00 0.00 C ATOM 780 OD1 ASP A 48 -7.568 -15.824 -13.287 1.00 0.00 O ATOM 781 OD2 ASP A 48 -9.391 -16.796 -13.998 1.00 0.00 O ATOM 0 H ASP A 48 -9.015 -13.388 -17.130 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.675 -14.746 -15.331 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.498 -15.566 -16.222 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.654 -14.350 -15.284 1.00 0.00 H new ATOM 786 N TRP A 49 -10.755 -13.623 -13.148 1.00 0.00 N ATOM 787 CA TRP A 49 -10.941 -12.897 -11.900 1.00 0.00 C ATOM 788 C TRP A 49 -11.203 -13.876 -10.762 1.00 0.00 C ATOM 789 O TRP A 49 -11.238 -15.088 -10.974 1.00 0.00 O ATOM 790 CB TRP A 49 -12.117 -11.922 -12.014 1.00 0.00 C ATOM 791 CG TRP A 49 -11.746 -10.486 -11.773 1.00 0.00 C ATOM 792 CD1 TRP A 49 -12.202 -9.404 -12.468 1.00 0.00 C ATOM 793 CD2 TRP A 49 -10.843 -9.972 -10.782 1.00 0.00 C ATOM 794 NE1 TRP A 49 -11.652 -8.252 -11.963 1.00 0.00 N ATOM 795 CE2 TRP A 49 -10.812 -8.573 -10.932 1.00 0.00 C ATOM 796 CE3 TRP A 49 -10.058 -10.553 -9.780 1.00 0.00 C ATOM 797 CZ2 TRP A 49 -10.035 -7.753 -10.122 1.00 0.00 C ATOM 798 CZ3 TRP A 49 -9.286 -9.737 -8.980 1.00 0.00 C ATOM 799 CH2 TRP A 49 -9.279 -8.350 -9.155 1.00 0.00 C ATOM 0 H TRP A 49 -11.371 -14.428 -13.260 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.032 -12.332 -11.693 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -12.555 -12.012 -13.008 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.887 -12.212 -11.299 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.895 -9.448 -13.295 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.839 -7.308 -12.302 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.057 -11.623 -9.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.030 -6.681 -10.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.676 -10.177 -8.205 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.663 -7.739 -8.512 1.00 0.00 H new ATOM 810 N ASN A 50 -11.400 -13.349 -9.562 1.00 0.00 N ATOM 811 CA ASN A 50 -11.664 -14.187 -8.402 1.00 0.00 C ATOM 812 C ASN A 50 -13.154 -14.486 -8.293 1.00 0.00 C ATOM 813 O ASN A 50 -13.567 -15.642 -8.345 1.00 0.00 O ATOM 814 CB ASN A 50 -11.168 -13.517 -7.117 1.00 0.00 C ATOM 815 CG ASN A 50 -11.261 -14.436 -5.911 1.00 0.00 C ATOM 816 OD1 ASN A 50 -10.345 -15.205 -5.634 1.00 0.00 O ATOM 817 ND2 ASN A 50 -12.356 -14.348 -5.169 1.00 0.00 N ATOM 0 H ASN A 50 -11.382 -12.348 -9.367 1.00 0.00 H new ATOM 0 HA ASN A 50 -11.122 -15.124 -8.532 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.133 -13.202 -7.251 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -11.754 -12.617 -6.930 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.457 -14.931 -4.338 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.097 -13.698 -5.429 1.00 0.00 H new ATOM 824 N GLY A 51 -13.965 -13.442 -8.154 1.00 0.00 N ATOM 825 CA GLY A 51 -15.389 -13.655 -8.017 1.00 0.00 C ATOM 826 C GLY A 51 -16.207 -12.383 -8.108 1.00 0.00 C ATOM 827 O GLY A 51 -16.964 -12.195 -9.059 1.00 0.00 O ATOM 0 H GLY A 51 -13.665 -12.467 -8.134 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.720 -14.346 -8.792 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.585 -14.135 -7.058 1.00 0.00 H new ATOM 831 N ASP A 52 -16.049 -11.497 -7.134 1.00 0.00 N ATOM 832 CA ASP A 52 -16.939 -10.358 -7.006 1.00 0.00 C ATOM 833 C ASP A 52 -16.177 -9.074 -6.672 1.00 0.00 C ATOM 834 O ASP A 52 -15.276 -9.072 -5.832 1.00 0.00 O ATOM 835 CB ASP A 52 -17.987 -10.649 -5.933 1.00 0.00 C ATOM 836 CG ASP A 52 -18.923 -9.487 -5.718 1.00 0.00 C ATOM 837 OD1 ASP A 52 -19.893 -9.348 -6.494 1.00 0.00 O ATOM 838 OD2 ASP A 52 -18.686 -8.710 -4.775 1.00 0.00 O ATOM 0 H ASP A 52 -15.316 -11.547 -6.426 1.00 0.00 H new ATOM 0 HA ASP A 52 -17.430 -10.201 -7.966 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -18.563 -11.529 -6.220 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -17.487 -10.888 -4.995 1.00 0.00 H new ATOM 843 N PRO A 53 -16.540 -7.981 -7.359 1.00 0.00 N ATOM 844 CA PRO A 53 -15.932 -6.646 -7.192 1.00 0.00 C ATOM 845 C PRO A 53 -15.982 -6.072 -5.768 1.00 0.00 C ATOM 846 O PRO A 53 -15.219 -5.160 -5.449 1.00 0.00 O ATOM 847 CB PRO A 53 -16.762 -5.752 -8.120 1.00 0.00 C ATOM 848 CG PRO A 53 -17.381 -6.673 -9.110 1.00 0.00 C ATOM 849 CD PRO A 53 -17.571 -7.985 -8.408 1.00 0.00 C ATOM 0 HA PRO A 53 -14.867 -6.703 -7.417 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -17.523 -5.207 -7.562 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -16.135 -5.009 -8.613 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -18.334 -6.280 -9.463 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -16.741 -6.790 -9.985 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -18.572 -8.069 -7.984 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -17.442 -8.825 -9.091 1.00 0.00 H new ATOM 857 N GLN A 54 -16.856 -6.590 -4.907 1.00 0.00 N ATOM 858 CA GLN A 54 -17.029 -6.013 -3.569 1.00 0.00 C ATOM 859 C GLN A 54 -15.998 -6.583 -2.608 1.00 0.00 C ATOM 860 O GLN A 54 -16.058 -6.368 -1.394 1.00 0.00 O ATOM 861 CB GLN A 54 -18.440 -6.259 -3.024 1.00 0.00 C ATOM 862 CG GLN A 54 -19.508 -5.343 -3.610 1.00 0.00 C ATOM 863 CD GLN A 54 -19.782 -5.599 -5.079 1.00 0.00 C ATOM 864 OE1 GLN A 54 -19.156 -5.008 -5.959 1.00 0.00 O ATOM 865 NE2 GLN A 54 -20.739 -6.464 -5.358 1.00 0.00 N ATOM 0 H GLN A 54 -17.449 -7.396 -5.104 1.00 0.00 H new ATOM 0 HA GLN A 54 -16.884 -4.936 -3.657 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -18.718 -7.294 -3.222 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -18.425 -6.134 -1.941 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -20.433 -5.470 -3.048 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -19.197 -4.306 -3.481 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -21.237 -6.935 -4.603 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -20.981 -6.661 -6.329 1.00 0.00 H new ATOM 874 N ARG A 55 -15.058 -7.314 -3.170 1.00 0.00 N ATOM 875 CA ARG A 55 -13.980 -7.908 -2.403 1.00 0.00 C ATOM 876 C ARG A 55 -12.752 -7.003 -2.431 1.00 0.00 C ATOM 877 O ARG A 55 -12.463 -6.374 -3.451 1.00 0.00 O ATOM 878 CB ARG A 55 -13.653 -9.296 -2.959 1.00 0.00 C ATOM 879 CG ARG A 55 -14.528 -10.409 -2.395 1.00 0.00 C ATOM 880 CD ARG A 55 -16.018 -10.137 -2.556 1.00 0.00 C ATOM 881 NE ARG A 55 -16.815 -11.127 -1.833 1.00 0.00 N ATOM 882 CZ ARG A 55 -18.143 -11.237 -1.904 1.00 0.00 C ATOM 883 NH1 ARG A 55 -18.861 -10.399 -2.646 1.00 0.00 N ATOM 884 NH2 ARG A 55 -18.757 -12.192 -1.220 1.00 0.00 N ATOM 0 H ARG A 55 -15.019 -7.514 -4.169 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.294 -8.017 -1.365 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.761 -9.277 -4.043 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.609 -9.525 -2.746 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.280 -11.346 -2.893 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.301 -10.541 -1.337 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.251 -9.138 -2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -16.282 -10.155 -3.613 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.319 -11.783 -1.229 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -18.397 -9.658 -3.172 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -19.875 -10.497 -2.689 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -18.215 -12.836 -0.645 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -19.772 -12.283 -1.269 1.00 0.00 H new ATOM 898 N PRO A 56 -12.036 -6.899 -1.301 1.00 0.00 N ATOM 899 CA PRO A 56 -10.851 -6.048 -1.190 1.00 0.00 C ATOM 900 C PRO A 56 -9.667 -6.591 -1.979 1.00 0.00 C ATOM 901 O PRO A 56 -9.023 -7.560 -1.574 1.00 0.00 O ATOM 902 CB PRO A 56 -10.546 -6.042 0.310 1.00 0.00 C ATOM 903 CG PRO A 56 -11.132 -7.312 0.825 1.00 0.00 C ATOM 904 CD PRO A 56 -12.328 -7.605 -0.040 1.00 0.00 C ATOM 0 HA PRO A 56 -11.028 -5.054 -1.601 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.473 -5.999 0.495 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.989 -5.175 0.800 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.407 -8.124 0.774 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.423 -7.210 1.870 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -12.452 -8.676 -0.201 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.249 -7.243 0.416 1.00 0.00 H new ATOM 912 N PHE A 57 -9.395 -5.968 -3.113 1.00 0.00 N ATOM 913 CA PHE A 57 -8.286 -6.361 -3.958 1.00 0.00 C ATOM 914 C PHE A 57 -7.075 -5.492 -3.650 1.00 0.00 C ATOM 915 O PHE A 57 -7.219 -4.344 -3.228 1.00 0.00 O ATOM 916 CB PHE A 57 -8.675 -6.239 -5.439 1.00 0.00 C ATOM 917 CG PHE A 57 -9.879 -7.061 -5.820 1.00 0.00 C ATOM 918 CD1 PHE A 57 -10.998 -6.470 -6.398 1.00 0.00 C ATOM 919 CD2 PHE A 57 -9.895 -8.429 -5.594 1.00 0.00 C ATOM 920 CE1 PHE A 57 -12.100 -7.230 -6.740 1.00 0.00 C ATOM 921 CE2 PHE A 57 -10.995 -9.190 -5.936 1.00 0.00 C ATOM 922 CZ PHE A 57 -12.097 -8.590 -6.509 1.00 0.00 C ATOM 0 H PHE A 57 -9.935 -5.180 -3.470 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.034 -7.402 -3.756 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.874 -5.192 -5.668 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.828 -6.544 -6.054 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.005 -5.406 -6.581 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.036 -8.905 -5.145 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -12.963 -6.760 -7.188 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.993 -10.255 -5.755 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.958 -9.185 -6.777 1.00 0.00 H new ATOM 932 N GLU A 58 -5.884 -6.029 -3.835 1.00 0.00 N ATOM 933 CA GLU A 58 -4.673 -5.268 -3.568 1.00 0.00 C ATOM 934 C GLU A 58 -3.868 -5.035 -4.833 1.00 0.00 C ATOM 935 O GLU A 58 -3.693 -5.942 -5.646 1.00 0.00 O ATOM 936 CB GLU A 58 -3.794 -5.960 -2.529 1.00 0.00 C ATOM 937 CG GLU A 58 -4.259 -5.754 -1.100 1.00 0.00 C ATOM 938 CD GLU A 58 -3.198 -6.144 -0.094 1.00 0.00 C ATOM 939 OE1 GLU A 58 -2.104 -5.534 -0.112 1.00 0.00 O ATOM 940 OE2 GLU A 58 -3.456 -7.038 0.734 1.00 0.00 O ATOM 0 H GLU A 58 -5.727 -6.981 -4.166 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.994 -4.304 -3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.768 -7.029 -2.742 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.773 -5.590 -2.626 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.529 -4.708 -0.954 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.159 -6.343 -0.924 1.00 0.00 H new ATOM 947 N ALA A 59 -3.389 -3.810 -4.985 1.00 0.00 N ATOM 948 CA ALA A 59 -2.488 -3.472 -6.070 1.00 0.00 C ATOM 949 C ALA A 59 -1.057 -3.462 -5.556 1.00 0.00 C ATOM 950 O ALA A 59 -0.685 -2.632 -4.724 1.00 0.00 O ATOM 951 CB ALA A 59 -2.857 -2.129 -6.682 1.00 0.00 C ATOM 0 H ALA A 59 -3.612 -3.031 -4.365 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.577 -4.224 -6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.167 -1.897 -7.493 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.874 -2.174 -7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.795 -1.352 -5.920 1.00 0.00 H new ATOM 957 N ARG A 60 -0.277 -4.412 -6.032 1.00 0.00 N ATOM 958 CA ARG A 60 1.093 -4.593 -5.593 1.00 0.00 C ATOM 959 C ARG A 60 2.043 -4.120 -6.689 1.00 0.00 C ATOM 960 O ARG A 60 2.201 -4.787 -7.711 1.00 0.00 O ATOM 961 CB ARG A 60 1.301 -6.078 -5.279 1.00 0.00 C ATOM 962 CG ARG A 60 2.576 -6.415 -4.525 1.00 0.00 C ATOM 963 CD ARG A 60 2.522 -7.852 -4.029 1.00 0.00 C ATOM 964 NE ARG A 60 3.718 -8.251 -3.287 1.00 0.00 N ATOM 965 CZ ARG A 60 3.696 -8.707 -2.032 1.00 0.00 C ATOM 966 NH1 ARG A 60 2.561 -8.726 -1.339 1.00 0.00 N ATOM 967 NH2 ARG A 60 4.814 -9.138 -1.461 1.00 0.00 N ATOM 0 H ARG A 60 -0.577 -5.084 -6.738 1.00 0.00 H new ATOM 0 HA ARG A 60 1.298 -4.007 -4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.451 -6.431 -4.695 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.296 -6.634 -6.217 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.440 -6.278 -5.175 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.701 -5.735 -3.682 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.648 -7.976 -3.390 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.392 -8.519 -4.881 1.00 0.00 H new ATOM 0 HE ARG A 60 4.621 -8.177 -3.755 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.697 -8.390 -1.766 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.554 -9.076 -0.381 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.691 -9.121 -1.981 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.796 -9.486 -0.502 1.00 0.00 H new ATOM 981 N LEU A 61 2.650 -2.959 -6.480 1.00 0.00 N ATOM 982 CA LEU A 61 3.507 -2.345 -7.488 1.00 0.00 C ATOM 983 C LEU A 61 4.975 -2.525 -7.137 1.00 0.00 C ATOM 984 O LEU A 61 5.438 -2.068 -6.090 1.00 0.00 O ATOM 985 CB LEU A 61 3.196 -0.850 -7.615 1.00 0.00 C ATOM 986 CG LEU A 61 1.728 -0.504 -7.886 1.00 0.00 C ATOM 987 CD1 LEU A 61 1.538 1.004 -7.927 1.00 0.00 C ATOM 988 CD2 LEU A 61 1.260 -1.136 -9.187 1.00 0.00 C ATOM 0 H LEU A 61 2.565 -2.421 -5.618 1.00 0.00 H new ATOM 0 HA LEU A 61 3.308 -2.839 -8.439 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.505 -0.353 -6.696 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.803 -0.437 -8.420 1.00 0.00 H new ATOM 0 HG LEU A 61 1.124 -0.907 -7.073 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.490 1.234 -8.120 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.833 1.434 -6.970 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.154 1.427 -8.720 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.215 -0.879 -9.361 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.868 -0.764 -10.012 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.361 -2.219 -9.122 1.00 0.00 H new ATOM 1000 N TYR A 62 5.704 -3.187 -8.019 1.00 0.00 N ATOM 1001 CA TYR A 62 7.121 -3.422 -7.810 1.00 0.00 C ATOM 1002 C TYR A 62 7.956 -2.347 -8.481 1.00 0.00 C ATOM 1003 O TYR A 62 8.099 -2.326 -9.705 1.00 0.00 O ATOM 1004 CB TYR A 62 7.530 -4.794 -8.344 1.00 0.00 C ATOM 1005 CG TYR A 62 6.978 -5.945 -7.542 1.00 0.00 C ATOM 1006 CD1 TYR A 62 5.707 -6.439 -7.788 1.00 0.00 C ATOM 1007 CD2 TYR A 62 7.732 -6.537 -6.537 1.00 0.00 C ATOM 1008 CE1 TYR A 62 5.197 -7.487 -7.052 1.00 0.00 C ATOM 1009 CE2 TYR A 62 7.230 -7.588 -5.797 1.00 0.00 C ATOM 1010 CZ TYR A 62 5.961 -8.058 -6.059 1.00 0.00 C ATOM 1011 OH TYR A 62 5.451 -9.099 -5.323 1.00 0.00 O ATOM 0 H TYR A 62 5.336 -3.572 -8.889 1.00 0.00 H new ATOM 0 HA TYR A 62 7.303 -3.390 -6.736 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.193 -4.887 -9.376 1.00 0.00 H new ATOM 0 HB3 TYR A 62 8.618 -4.860 -8.356 1.00 0.00 H new ATOM 0 HD1 TYR A 62 5.106 -5.996 -8.569 1.00 0.00 H new ATOM 0 HD2 TYR A 62 8.726 -6.169 -6.332 1.00 0.00 H new ATOM 0 HE1 TYR A 62 4.203 -7.858 -7.253 1.00 0.00 H new ATOM 0 HE2 TYR A 62 7.827 -8.039 -5.018 1.00 0.00 H new ATOM 0 HH TYR A 62 4.678 -9.481 -5.789 1.00 0.00 H new ATOM 1021 N LEU A 63 8.489 -1.446 -7.673 1.00 0.00 N ATOM 1022 CA LEU A 63 9.424 -0.449 -8.161 1.00 0.00 C ATOM 1023 C LEU A 63 10.832 -0.938 -7.859 1.00 0.00 C ATOM 1024 O LEU A 63 11.826 -0.442 -8.389 1.00 0.00 O ATOM 1025 CB LEU A 63 9.154 0.898 -7.489 1.00 0.00 C ATOM 1026 CG LEU A 63 9.849 2.095 -8.132 1.00 0.00 C ATOM 1027 CD1 LEU A 63 9.441 2.218 -9.594 1.00 0.00 C ATOM 1028 CD2 LEU A 63 9.510 3.367 -7.372 1.00 0.00 C ATOM 0 H LEU A 63 8.289 -1.385 -6.675 1.00 0.00 H new ATOM 0 HA LEU A 63 9.308 -0.308 -9.236 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.079 1.078 -7.491 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.465 0.835 -6.446 1.00 0.00 H new ATOM 0 HG LEU A 63 10.927 1.943 -8.088 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.944 3.076 -10.041 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.725 1.312 -10.129 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.362 2.355 -9.660 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.011 4.215 -7.839 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.432 3.527 -7.392 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.843 3.273 -6.339 1.00 0.00 H new ATOM 1040 N GLY A 64 10.875 -1.934 -6.991 1.00 0.00 N ATOM 1041 CA GLY A 64 12.092 -2.625 -6.651 1.00 0.00 C ATOM 1042 C GLY A 64 11.750 -3.912 -5.940 1.00 0.00 C ATOM 1043 O GLY A 64 10.584 -4.312 -5.931 1.00 0.00 O ATOM 0 H GLY A 64 10.052 -2.285 -6.500 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.669 -2.835 -7.552 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.715 -1.998 -6.013 1.00 0.00 H new ATOM 1047 N LEU A 65 12.729 -4.556 -5.332 1.00 0.00 N ATOM 1048 CA LEU A 65 12.462 -5.771 -4.577 1.00 0.00 C ATOM 1049 C LEU A 65 12.056 -5.432 -3.149 1.00 0.00 C ATOM 1050 O LEU A 65 11.297 -6.166 -2.516 1.00 0.00 O ATOM 1051 CB LEU A 65 13.674 -6.699 -4.588 1.00 0.00 C ATOM 1052 CG LEU A 65 14.024 -7.284 -5.956 1.00 0.00 C ATOM 1053 CD1 LEU A 65 15.192 -8.245 -5.834 1.00 0.00 C ATOM 1054 CD2 LEU A 65 12.820 -7.988 -6.565 1.00 0.00 C ATOM 0 H LEU A 65 13.706 -4.264 -5.344 1.00 0.00 H new ATOM 0 HA LEU A 65 11.635 -6.294 -5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 65 14.537 -6.150 -4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 65 13.491 -7.519 -3.894 1.00 0.00 H new ATOM 0 HG LEU A 65 14.311 -6.466 -6.616 1.00 0.00 H new ATOM 0 HD11 LEU A 65 15.431 -8.654 -6.816 1.00 0.00 H new ATOM 0 HD12 LEU A 65 16.060 -7.715 -5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 65 14.926 -9.057 -5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.091 -8.397 -7.538 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.501 -8.797 -5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.004 -7.275 -6.686 1.00 0.00 H new ATOM 1066 N ASP A 66 12.558 -4.312 -2.647 1.00 0.00 N ATOM 1067 CA ASP A 66 12.166 -3.828 -1.328 1.00 0.00 C ATOM 1068 C ASP A 66 11.388 -2.524 -1.452 1.00 0.00 C ATOM 1069 O ASP A 66 10.812 -2.037 -0.478 1.00 0.00 O ATOM 1070 CB ASP A 66 13.381 -3.642 -0.407 1.00 0.00 C ATOM 1071 CG ASP A 66 14.403 -2.660 -0.941 1.00 0.00 C ATOM 1072 OD1 ASP A 66 15.352 -3.102 -1.626 1.00 0.00 O ATOM 1073 OD2 ASP A 66 14.274 -1.449 -0.675 1.00 0.00 O ATOM 0 H ASP A 66 13.235 -3.722 -3.130 1.00 0.00 H new ATOM 0 HA ASP A 66 11.523 -4.583 -0.876 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.037 -3.301 0.569 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.863 -4.608 -0.255 1.00 0.00 H new ATOM 1078 N VAL A 67 11.361 -1.966 -2.657 1.00 0.00 N ATOM 1079 CA VAL A 67 10.565 -0.780 -2.921 1.00 0.00 C ATOM 1080 C VAL A 67 9.201 -1.201 -3.448 1.00 0.00 C ATOM 1081 O VAL A 67 8.998 -1.353 -4.657 1.00 0.00 O ATOM 1082 CB VAL A 67 11.244 0.170 -3.933 1.00 0.00 C ATOM 1083 CG1 VAL A 67 10.459 1.469 -4.057 1.00 0.00 C ATOM 1084 CG2 VAL A 67 12.683 0.449 -3.527 1.00 0.00 C ATOM 0 H VAL A 67 11.880 -2.317 -3.462 1.00 0.00 H new ATOM 0 HA VAL A 67 10.461 -0.233 -1.984 1.00 0.00 H new ATOM 0 HB VAL A 67 11.254 -0.319 -4.907 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.952 2.125 -4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.448 1.252 -4.400 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.414 1.961 -3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 67 13.142 1.120 -4.253 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.699 0.915 -2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 67 13.240 -0.487 -3.495 1.00 0.00 H new ATOM 1094 N LEU A 68 8.282 -1.430 -2.528 1.00 0.00 N ATOM 1095 CA LEU A 68 6.966 -1.933 -2.878 1.00 0.00 C ATOM 1096 C LEU A 68 5.895 -0.886 -2.613 1.00 0.00 C ATOM 1097 O LEU A 68 5.733 -0.418 -1.486 1.00 0.00 O ATOM 1098 CB LEU A 68 6.659 -3.205 -2.081 1.00 0.00 C ATOM 1099 CG LEU A 68 5.331 -3.884 -2.420 1.00 0.00 C ATOM 1100 CD1 LEU A 68 5.343 -4.392 -3.852 1.00 0.00 C ATOM 1101 CD2 LEU A 68 5.053 -5.022 -1.451 1.00 0.00 C ATOM 0 H LEU A 68 8.423 -1.275 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 68 6.964 -2.166 -3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.466 -3.920 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.661 -2.958 -1.019 1.00 0.00 H new ATOM 0 HG LEU A 68 4.533 -3.148 -2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.390 -4.872 -4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.497 -3.555 -4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.151 -5.113 -3.975 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.104 -5.494 -1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.854 -5.759 -1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.001 -4.630 -0.435 1.00 0.00 H new ATOM 1113 N ILE A 69 5.185 -0.507 -3.660 1.00 0.00 N ATOM 1114 CA ILE A 69 4.051 0.391 -3.524 1.00 0.00 C ATOM 1115 C ILE A 69 2.764 -0.425 -3.516 1.00 0.00 C ATOM 1116 O ILE A 69 2.360 -0.960 -4.544 1.00 0.00 O ATOM 1117 CB ILE A 69 3.996 1.414 -4.679 1.00 0.00 C ATOM 1118 CG1 ILE A 69 5.371 2.051 -4.899 1.00 0.00 C ATOM 1119 CG2 ILE A 69 2.953 2.486 -4.383 1.00 0.00 C ATOM 1120 CD1 ILE A 69 5.434 2.968 -6.105 1.00 0.00 C ATOM 0 H ILE A 69 5.374 -0.807 -4.616 1.00 0.00 H new ATOM 0 HA ILE A 69 4.162 0.940 -2.589 1.00 0.00 H new ATOM 0 HB ILE A 69 3.711 0.892 -5.592 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.646 2.617 -4.009 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.113 1.261 -5.016 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.923 3.202 -5.205 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.974 2.020 -4.272 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.215 3.004 -3.460 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.438 3.381 -6.196 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.192 2.403 -7.005 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.717 3.780 -5.983 1.00 0.00 H new ATOM 1132 N ARG A 70 2.137 -0.555 -2.360 1.00 0.00 N ATOM 1133 CA ARG A 70 0.920 -1.344 -2.261 1.00 0.00 C ATOM 1134 C ARG A 70 -0.255 -0.474 -1.836 1.00 0.00 C ATOM 1135 O ARG A 70 -0.086 0.504 -1.103 1.00 0.00 O ATOM 1136 CB ARG A 70 1.115 -2.539 -1.308 1.00 0.00 C ATOM 1137 CG ARG A 70 1.536 -2.174 0.111 1.00 0.00 C ATOM 1138 CD ARG A 70 0.344 -1.811 0.987 1.00 0.00 C ATOM 1139 NE ARG A 70 -0.614 -2.913 1.108 1.00 0.00 N ATOM 1140 CZ ARG A 70 -1.615 -2.942 1.989 1.00 0.00 C ATOM 1141 NH1 ARG A 70 -1.810 -1.929 2.828 1.00 0.00 N ATOM 1142 NH2 ARG A 70 -2.426 -3.988 2.030 1.00 0.00 N ATOM 0 H ARG A 70 2.445 -0.130 -1.485 1.00 0.00 H new ATOM 0 HA ARG A 70 0.692 -1.747 -3.248 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.182 -3.101 -1.260 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.867 -3.204 -1.733 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.071 -3.012 0.557 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.230 -1.334 0.078 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.697 -1.529 1.979 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.159 -0.939 0.569 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.509 -3.709 0.478 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.191 -1.119 2.802 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.579 -1.962 3.498 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.284 -4.769 1.389 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.192 -4.013 2.703 1.00 0.00 H new ATOM 1156 N MET A 71 -1.435 -0.821 -2.318 1.00 0.00 N ATOM 1157 CA MET A 71 -2.638 -0.068 -2.009 1.00 0.00 C ATOM 1158 C MET A 71 -3.853 -0.988 -1.996 1.00 0.00 C ATOM 1159 O MET A 71 -4.021 -1.829 -2.883 1.00 0.00 O ATOM 1160 CB MET A 71 -2.821 1.068 -3.023 1.00 0.00 C ATOM 1161 CG MET A 71 -2.883 0.597 -4.468 1.00 0.00 C ATOM 1162 SD MET A 71 -2.753 1.946 -5.659 1.00 0.00 S ATOM 1163 CE MET A 71 -4.158 2.953 -5.202 1.00 0.00 C ATOM 0 H MET A 71 -1.586 -1.624 -2.928 1.00 0.00 H new ATOM 0 HA MET A 71 -2.537 0.370 -1.016 1.00 0.00 H new ATOM 0 HB2 MET A 71 -3.738 1.609 -2.787 1.00 0.00 H new ATOM 0 HB3 MET A 71 -1.998 1.774 -2.916 1.00 0.00 H new ATOM 0 HG2 MET A 71 -2.078 -0.116 -4.646 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.821 0.066 -4.631 1.00 0.00 H new ATOM 0 HE1 MET A 71 -4.281 3.757 -5.928 1.00 0.00 H new ATOM 0 HE2 MET A 71 -5.057 2.337 -5.187 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.993 3.380 -4.213 1.00 0.00 H new ATOM 1173 N GLU A 72 -4.685 -0.835 -0.977 1.00 0.00 N ATOM 1174 CA GLU A 72 -5.869 -1.660 -0.816 1.00 0.00 C ATOM 1175 C GLU A 72 -7.049 -0.992 -1.514 1.00 0.00 C ATOM 1176 O GLU A 72 -7.442 0.125 -1.160 1.00 0.00 O ATOM 1177 CB GLU A 72 -6.149 -1.856 0.673 1.00 0.00 C ATOM 1178 CG GLU A 72 -7.102 -2.994 0.986 1.00 0.00 C ATOM 1179 CD GLU A 72 -7.160 -3.289 2.470 1.00 0.00 C ATOM 1180 OE1 GLU A 72 -8.111 -2.832 3.136 1.00 0.00 O ATOM 1181 OE2 GLU A 72 -6.238 -3.960 2.982 1.00 0.00 O ATOM 0 H GLU A 72 -4.558 -0.139 -0.243 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.711 -2.639 -1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.205 -2.037 1.187 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.561 -0.931 1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.100 -2.741 0.627 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.787 -3.889 0.450 1.00 0.00 H new ATOM 1188 N ILE A 73 -7.600 -1.666 -2.510 1.00 0.00 N ATOM 1189 CA ILE A 73 -8.598 -1.065 -3.382 1.00 0.00 C ATOM 1190 C ILE A 73 -9.850 -1.929 -3.496 1.00 0.00 C ATOM 1191 O ILE A 73 -9.817 -3.134 -3.255 1.00 0.00 O ATOM 1192 CB ILE A 73 -8.019 -0.818 -4.793 1.00 0.00 C ATOM 1193 CG1 ILE A 73 -7.325 -2.084 -5.311 1.00 0.00 C ATOM 1194 CG2 ILE A 73 -7.054 0.359 -4.771 1.00 0.00 C ATOM 1195 CD1 ILE A 73 -6.647 -1.911 -6.652 1.00 0.00 C ATOM 0 H ILE A 73 -7.372 -2.634 -2.736 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.877 -0.113 -2.930 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.837 -0.574 -5.471 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.583 -2.404 -4.579 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.062 -2.884 -5.389 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.654 0.521 -5.772 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.580 1.255 -4.441 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.235 0.146 -4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.180 -2.851 -6.948 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.386 -1.622 -7.399 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.885 -1.135 -6.577 1.00 0.00 H new ATOM 1207 N SER A 74 -10.955 -1.296 -3.848 1.00 0.00 N ATOM 1208 CA SER A 74 -12.217 -1.992 -4.039 1.00 0.00 C ATOM 1209 C SER A 74 -12.712 -1.817 -5.473 1.00 0.00 C ATOM 1210 O SER A 74 -13.008 -0.702 -5.901 1.00 0.00 O ATOM 1211 CB SER A 74 -13.248 -1.454 -3.044 1.00 0.00 C ATOM 1212 OG SER A 74 -13.183 -0.036 -2.970 1.00 0.00 O ATOM 0 H SER A 74 -11.004 -0.290 -4.009 1.00 0.00 H new ATOM 0 HA SER A 74 -12.071 -3.057 -3.861 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.249 -1.762 -3.348 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.068 -1.883 -2.058 1.00 0.00 H new ATOM 0 HG SER A 74 -14.091 0.333 -2.958 1.00 0.00 H new ATOM 1218 N LEU A 75 -12.794 -2.913 -6.218 1.00 0.00 N ATOM 1219 CA LEU A 75 -13.203 -2.856 -7.620 1.00 0.00 C ATOM 1220 C LEU A 75 -14.587 -2.228 -7.762 1.00 0.00 C ATOM 1221 O LEU A 75 -15.568 -2.719 -7.204 1.00 0.00 O ATOM 1222 CB LEU A 75 -13.183 -4.255 -8.239 1.00 0.00 C ATOM 1223 CG LEU A 75 -13.674 -4.334 -9.687 1.00 0.00 C ATOM 1224 CD1 LEU A 75 -12.849 -3.434 -10.596 1.00 0.00 C ATOM 1225 CD2 LEU A 75 -13.639 -5.770 -10.189 1.00 0.00 C ATOM 0 H LEU A 75 -12.584 -3.851 -5.877 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.491 -2.228 -8.155 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.164 -4.639 -8.196 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -13.798 -4.915 -7.627 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.706 -3.983 -9.709 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.220 -3.511 -11.618 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.930 -2.401 -10.257 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.805 -3.745 -10.565 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.992 -5.804 -11.220 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.617 -6.147 -10.143 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.283 -6.389 -9.565 1.00 0.00 H new ATOM 1237 N ALA A 76 -14.655 -1.129 -8.500 1.00 0.00 N ATOM 1238 CA ALA A 76 -15.902 -0.402 -8.667 1.00 0.00 C ATOM 1239 C ALA A 76 -16.583 -0.780 -9.974 1.00 0.00 C ATOM 1240 O ALA A 76 -17.726 -1.246 -9.980 1.00 0.00 O ATOM 1241 CB ALA A 76 -15.649 1.097 -8.610 1.00 0.00 C ATOM 0 H ALA A 76 -13.860 -0.722 -8.992 1.00 0.00 H new ATOM 0 HA ALA A 76 -16.569 -0.676 -7.850 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -16.591 1.630 -8.736 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -15.212 1.356 -7.645 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -14.962 1.381 -9.407 1.00 0.00 H new ATOM 1247 N TRP A 77 -15.876 -0.599 -11.079 1.00 0.00 N ATOM 1248 CA TRP A 77 -16.444 -0.857 -12.392 1.00 0.00 C ATOM 1249 C TRP A 77 -15.425 -1.505 -13.318 1.00 0.00 C ATOM 1250 O TRP A 77 -14.221 -1.289 -13.186 1.00 0.00 O ATOM 1251 CB TRP A 77 -16.979 0.440 -13.014 1.00 0.00 C ATOM 1252 CG TRP A 77 -15.966 1.551 -13.091 1.00 0.00 C ATOM 1253 CD1 TRP A 77 -15.706 2.490 -12.133 1.00 0.00 C ATOM 1254 CD2 TRP A 77 -15.088 1.842 -14.186 1.00 0.00 C ATOM 1255 NE1 TRP A 77 -14.721 3.344 -12.564 1.00 0.00 N ATOM 1256 CE2 TRP A 77 -14.325 2.968 -13.822 1.00 0.00 C ATOM 1257 CE3 TRP A 77 -14.873 1.261 -15.440 1.00 0.00 C ATOM 1258 CZ2 TRP A 77 -13.362 3.520 -14.664 1.00 0.00 C ATOM 1259 CZ3 TRP A 77 -13.917 1.811 -16.274 1.00 0.00 C ATOM 1260 CH2 TRP A 77 -13.174 2.930 -15.882 1.00 0.00 C ATOM 0 H TRP A 77 -14.909 -0.275 -11.092 1.00 0.00 H new ATOM 0 HA TRP A 77 -17.273 -1.552 -12.263 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -17.343 0.225 -14.019 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -17.834 0.783 -12.432 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -16.203 2.552 -11.176 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -14.345 4.130 -12.034 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -15.443 0.398 -15.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -12.785 4.383 -14.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -13.741 1.370 -17.244 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -12.435 3.336 -16.557 1.00 0.00 H new ATOM 1271 N ALA A 78 -15.922 -2.316 -14.236 1.00 0.00 N ATOM 1272 CA ALA A 78 -15.091 -2.957 -15.240 1.00 0.00 C ATOM 1273 C ALA A 78 -15.747 -2.829 -16.607 1.00 0.00 C ATOM 1274 O ALA A 78 -16.825 -3.379 -16.836 1.00 0.00 O ATOM 1275 CB ALA A 78 -14.873 -4.421 -14.891 1.00 0.00 C ATOM 0 H ALA A 78 -16.913 -2.548 -14.306 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.120 -2.463 -15.265 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -14.248 -4.888 -15.653 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.379 -4.494 -13.922 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -15.835 -4.932 -14.848 1.00 0.00 H new ATOM 1281 N ARG A 79 -15.109 -2.099 -17.509 1.00 0.00 N ATOM 1282 CA ARG A 79 -15.686 -1.855 -18.822 1.00 0.00 C ATOM 1283 C ARG A 79 -14.712 -2.223 -19.929 1.00 0.00 C ATOM 1284 O ARG A 79 -13.606 -1.683 -20.001 1.00 0.00 O ATOM 1285 CB ARG A 79 -16.112 -0.392 -18.956 1.00 0.00 C ATOM 1286 CG ARG A 79 -16.668 -0.045 -20.329 1.00 0.00 C ATOM 1287 CD ARG A 79 -17.234 1.365 -20.365 1.00 0.00 C ATOM 1288 NE ARG A 79 -18.412 1.506 -19.511 1.00 0.00 N ATOM 1289 CZ ARG A 79 -19.243 2.545 -19.550 1.00 0.00 C ATOM 1290 NH1 ARG A 79 -19.057 3.517 -20.436 1.00 0.00 N ATOM 1291 NH2 ARG A 79 -20.273 2.598 -18.716 1.00 0.00 N ATOM 0 H ARG A 79 -14.197 -1.668 -17.358 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.567 -2.489 -18.922 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -16.866 -0.171 -18.201 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.255 0.248 -18.747 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -15.880 -0.140 -21.076 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -17.448 -0.758 -20.597 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -16.468 2.071 -20.045 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.497 1.624 -21.391 1.00 0.00 H new ATOM 0 HE ARG A 79 -18.610 0.761 -18.843 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -18.275 3.469 -21.089 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -19.696 4.312 -20.463 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -20.427 1.844 -18.047 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -20.911 3.393 -18.744 1.00 0.00 H new ATOM 1305 N ASP A 80 -15.143 -3.153 -20.779 1.00 0.00 N ATOM 1306 CA ASP A 80 -14.372 -3.602 -21.939 1.00 0.00 C ATOM 1307 C ASP A 80 -13.099 -4.326 -21.506 1.00 0.00 C ATOM 1308 O ASP A 80 -13.095 -5.548 -21.357 1.00 0.00 O ATOM 1309 CB ASP A 80 -14.041 -2.428 -22.870 1.00 0.00 C ATOM 1310 CG ASP A 80 -13.325 -2.873 -24.126 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -12.088 -2.718 -24.196 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -13.998 -3.383 -25.047 1.00 0.00 O ATOM 0 H ASP A 80 -16.044 -3.621 -20.682 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.989 -4.308 -22.494 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -14.962 -1.913 -23.143 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -13.420 -1.708 -22.336 1.00 0.00 H new ATOM 1317 N GLY A 81 -12.035 -3.569 -21.287 1.00 0.00 N ATOM 1318 CA GLY A 81 -10.791 -4.148 -20.828 1.00 0.00 C ATOM 1319 C GLY A 81 -10.139 -3.301 -19.757 1.00 0.00 C ATOM 1320 O GLY A 81 -9.046 -3.614 -19.284 1.00 0.00 O ATOM 0 H GLY A 81 -12.012 -2.558 -21.420 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.978 -5.148 -20.437 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.108 -4.258 -21.671 1.00 0.00 H new ATOM 1324 N LEU A 82 -10.814 -2.224 -19.377 1.00 0.00 N ATOM 1325 CA LEU A 82 -10.304 -1.316 -18.360 1.00 0.00 C ATOM 1326 C LEU A 82 -11.124 -1.442 -17.088 1.00 0.00 C ATOM 1327 O LEU A 82 -12.354 -1.351 -17.116 1.00 0.00 O ATOM 1328 CB LEU A 82 -10.339 0.128 -18.865 1.00 0.00 C ATOM 1329 CG LEU A 82 -9.386 0.442 -20.020 1.00 0.00 C ATOM 1330 CD1 LEU A 82 -9.582 1.874 -20.498 1.00 0.00 C ATOM 1331 CD2 LEU A 82 -7.942 0.215 -19.597 1.00 0.00 C ATOM 0 H LEU A 82 -11.721 -1.958 -19.761 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.270 -1.584 -18.144 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.356 0.360 -19.182 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.105 0.792 -18.033 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.613 -0.232 -20.846 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.896 2.080 -21.320 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.608 2.006 -20.840 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.382 2.562 -19.677 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.278 0.443 -20.431 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.703 0.865 -18.755 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.809 -0.826 -19.302 1.00 0.00 H new ATOM 1343 N LEU A 83 -10.448 -1.666 -15.976 1.00 0.00 N ATOM 1344 CA LEU A 83 -11.127 -1.817 -14.702 1.00 0.00 C ATOM 1345 C LEU A 83 -10.715 -0.716 -13.740 1.00 0.00 C ATOM 1346 O LEU A 83 -9.524 -0.467 -13.538 1.00 0.00 O ATOM 1347 CB LEU A 83 -10.845 -3.189 -14.085 1.00 0.00 C ATOM 1348 CG LEU A 83 -11.366 -4.389 -14.881 1.00 0.00 C ATOM 1349 CD1 LEU A 83 -10.406 -4.770 -15.997 1.00 0.00 C ATOM 1350 CD2 LEU A 83 -11.615 -5.568 -13.957 1.00 0.00 C ATOM 0 H LEU A 83 -9.432 -1.747 -15.929 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.198 -1.739 -14.886 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.768 -3.298 -13.961 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.285 -3.217 -13.088 1.00 0.00 H new ATOM 0 HG LEU A 83 -12.311 -4.104 -15.343 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.804 -5.625 -16.543 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.287 -3.927 -16.678 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.437 -5.031 -15.570 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.985 -6.413 -14.537 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.684 -5.846 -13.463 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.355 -5.292 -13.206 1.00 0.00 H new ATOM 1362 N GLY A 84 -11.707 -0.058 -13.156 1.00 0.00 N ATOM 1363 CA GLY A 84 -11.449 1.022 -12.232 1.00 0.00 C ATOM 1364 C GLY A 84 -11.680 0.609 -10.793 1.00 0.00 C ATOM 1365 O GLY A 84 -12.777 0.175 -10.427 1.00 0.00 O ATOM 0 H GLY A 84 -12.695 -0.258 -13.310 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.420 1.362 -12.350 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.093 1.867 -12.474 1.00 0.00 H new ATOM 1369 N PHE A 85 -10.643 0.729 -9.983 1.00 0.00 N ATOM 1370 CA PHE A 85 -10.721 0.355 -8.581 1.00 0.00 C ATOM 1371 C PHE A 85 -10.741 1.599 -7.700 1.00 0.00 C ATOM 1372 O PHE A 85 -10.011 2.558 -7.943 1.00 0.00 O ATOM 1373 CB PHE A 85 -9.532 -0.525 -8.185 1.00 0.00 C ATOM 1374 CG PHE A 85 -9.466 -1.850 -8.893 1.00 0.00 C ATOM 1375 CD1 PHE A 85 -9.096 -1.929 -10.226 1.00 0.00 C ATOM 1376 CD2 PHE A 85 -9.758 -3.022 -8.213 1.00 0.00 C ATOM 1377 CE1 PHE A 85 -9.020 -3.150 -10.865 1.00 0.00 C ATOM 1378 CE2 PHE A 85 -9.685 -4.244 -8.849 1.00 0.00 C ATOM 1379 CZ PHE A 85 -9.317 -4.308 -10.177 1.00 0.00 C ATOM 0 H PHE A 85 -9.732 1.084 -10.274 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.643 -0.208 -8.436 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.611 0.023 -8.382 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.572 -0.704 -7.111 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.865 -1.026 -10.771 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.046 -2.978 -7.173 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.728 -3.199 -11.904 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -9.916 -5.150 -8.308 1.00 0.00 H new ATOM 0 HZ PHE A 85 -9.262 -5.264 -10.677 1.00 0.00 H new ATOM 1389 N GLU A 86 -11.573 1.557 -6.674 1.00 0.00 N ATOM 1390 CA GLU A 86 -11.683 2.645 -5.719 1.00 0.00 C ATOM 1391 C GLU A 86 -10.591 2.511 -4.663 1.00 0.00 C ATOM 1392 O GLU A 86 -10.356 1.428 -4.129 1.00 0.00 O ATOM 1393 CB GLU A 86 -13.072 2.602 -5.070 1.00 0.00 C ATOM 1394 CG GLU A 86 -13.265 3.586 -3.933 1.00 0.00 C ATOM 1395 CD GLU A 86 -14.648 3.487 -3.324 1.00 0.00 C ATOM 1396 OE1 GLU A 86 -15.376 4.500 -3.321 1.00 0.00 O ATOM 1397 OE2 GLU A 86 -15.020 2.389 -2.856 1.00 0.00 O ATOM 0 H GLU A 86 -12.190 0.769 -6.480 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.557 3.602 -6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.823 2.798 -5.835 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.254 1.594 -4.696 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.516 3.401 -3.163 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.102 4.600 -4.299 1.00 0.00 H new ATOM 1404 N CYS A 87 -9.909 3.610 -4.383 1.00 0.00 N ATOM 1405 CA CYS A 87 -8.800 3.596 -3.444 1.00 0.00 C ATOM 1406 C CYS A 87 -9.291 3.704 -2.004 1.00 0.00 C ATOM 1407 O CYS A 87 -9.803 4.743 -1.588 1.00 0.00 O ATOM 1408 CB CYS A 87 -7.833 4.736 -3.766 1.00 0.00 C ATOM 1409 SG CYS A 87 -7.099 4.624 -5.410 1.00 0.00 S ATOM 0 H CYS A 87 -10.104 4.523 -4.793 1.00 0.00 H new ATOM 0 HA CYS A 87 -8.278 2.644 -3.545 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.362 5.685 -3.678 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.036 4.745 -3.022 1.00 0.00 H new ATOM 0 HG CYS A 87 -6.297 5.630 -5.597 1.00 0.00 H new ATOM 1415 N GLN A 88 -9.139 2.619 -1.250 1.00 0.00 N ATOM 1416 CA GLN A 88 -9.543 2.607 0.149 1.00 0.00 C ATOM 1417 C GLN A 88 -8.378 3.027 1.038 1.00 0.00 C ATOM 1418 O GLN A 88 -8.409 4.086 1.660 1.00 0.00 O ATOM 1419 CB GLN A 88 -10.030 1.219 0.578 1.00 0.00 C ATOM 1420 CG GLN A 88 -11.121 0.639 -0.304 1.00 0.00 C ATOM 1421 CD GLN A 88 -11.755 -0.596 0.305 1.00 0.00 C ATOM 1422 OE1 GLN A 88 -12.756 -0.508 1.014 1.00 0.00 O ATOM 1423 NE2 GLN A 88 -11.170 -1.756 0.049 1.00 0.00 N ATOM 0 H GLN A 88 -8.741 1.741 -1.584 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.365 3.314 0.260 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.181 0.535 0.583 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.399 1.277 1.602 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.889 1.394 -0.472 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.702 0.387 -1.278 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.341 -1.789 -0.544 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.549 -2.616 0.445 1.00 0.00 H new ATOM 1432 N HIS A 89 -7.339 2.203 1.074 1.00 0.00 N ATOM 1433 CA HIS A 89 -6.210 2.448 1.960 1.00 0.00 C ATOM 1434 C HIS A 89 -4.893 2.441 1.201 1.00 0.00 C ATOM 1435 O HIS A 89 -4.484 1.418 0.661 1.00 0.00 O ATOM 1436 CB HIS A 89 -6.166 1.395 3.073 1.00 0.00 C ATOM 1437 CG HIS A 89 -4.964 1.503 3.971 1.00 0.00 C ATOM 1438 ND1 HIS A 89 -4.798 2.511 4.895 1.00 0.00 N ATOM 1439 CD2 HIS A 89 -3.854 0.732 4.059 1.00 0.00 C ATOM 1440 CE1 HIS A 89 -3.639 2.356 5.508 1.00 0.00 C ATOM 1441 NE2 HIS A 89 -3.045 1.283 5.020 1.00 0.00 N ATOM 0 H HIS A 89 -7.255 1.363 0.502 1.00 0.00 H new ATOM 0 HA HIS A 89 -6.348 3.436 2.399 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -7.068 1.483 3.678 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -6.181 0.403 2.621 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -3.644 -0.154 3.479 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -3.243 3.000 6.280 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.135 0.923 5.309 1.00 0.00 H new ATOM 1450 N ILE A 90 -4.233 3.583 1.171 1.00 0.00 N ATOM 1451 CA ILE A 90 -2.885 3.664 0.641 1.00 0.00 C ATOM 1452 C ILE A 90 -1.956 4.104 1.763 1.00 0.00 C ATOM 1453 O ILE A 90 -2.179 5.141 2.386 1.00 0.00 O ATOM 1454 CB ILE A 90 -2.757 4.643 -0.557 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -3.854 4.403 -1.603 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -1.390 4.496 -1.208 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -5.165 5.097 -1.293 1.00 0.00 C ATOM 0 H ILE A 90 -4.609 4.469 1.508 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.615 2.678 0.263 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.873 5.655 -0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.496 4.743 -2.575 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.033 3.331 -1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.310 5.187 -2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.613 4.721 -0.478 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.266 3.474 -1.566 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.887 4.878 -2.079 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.549 4.740 -0.337 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.003 6.174 -1.239 1.00 0.00 H new ATOM 1469 N ASP A 91 -0.943 3.299 2.042 1.00 0.00 N ATOM 1470 CA ASP A 91 -0.064 3.540 3.182 1.00 0.00 C ATOM 1471 C ASP A 91 0.802 4.774 2.966 1.00 0.00 C ATOM 1472 O ASP A 91 1.054 5.174 1.832 1.00 0.00 O ATOM 1473 CB ASP A 91 0.797 2.308 3.456 1.00 0.00 C ATOM 1474 CG ASP A 91 -0.049 1.107 3.829 1.00 0.00 C ATOM 1475 OD1 ASP A 91 -0.440 0.346 2.923 1.00 0.00 O ATOM 1476 OD2 ASP A 91 -0.360 0.937 5.028 1.00 0.00 O ATOM 0 H ASP A 91 -0.707 2.471 1.495 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.687 3.730 4.056 1.00 0.00 H new ATOM 0 HB2 ASP A 91 1.391 2.075 2.572 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.497 2.525 4.263 1.00 0.00 H new ATOM 1481 N LEU A 92 1.262 5.354 4.069 1.00 0.00 N ATOM 1482 CA LEU A 92 1.947 6.646 4.054 1.00 0.00 C ATOM 1483 C LEU A 92 3.164 6.644 3.132 1.00 0.00 C ATOM 1484 O LEU A 92 3.285 7.490 2.242 1.00 0.00 O ATOM 1485 CB LEU A 92 2.376 7.022 5.473 1.00 0.00 C ATOM 1486 CG LEU A 92 1.244 7.082 6.499 1.00 0.00 C ATOM 1487 CD1 LEU A 92 1.800 7.311 7.894 1.00 0.00 C ATOM 1488 CD2 LEU A 92 0.253 8.178 6.133 1.00 0.00 C ATOM 0 H LEU A 92 1.172 4.944 4.999 1.00 0.00 H new ATOM 0 HA LEU A 92 1.244 7.384 3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.117 6.300 5.815 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.869 7.994 5.441 1.00 0.00 H new ATOM 0 HG LEU A 92 0.720 6.126 6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.980 7.351 8.611 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.472 6.494 8.157 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.348 8.253 7.917 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.547 8.208 6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.765 9.140 6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.170 7.972 5.150 1.00 0.00 H new ATOM 1500 N ASP A 93 4.065 5.692 3.341 1.00 0.00 N ATOM 1501 CA ASP A 93 5.273 5.614 2.531 1.00 0.00 C ATOM 1502 C ASP A 93 4.925 5.193 1.110 1.00 0.00 C ATOM 1503 O ASP A 93 5.597 5.587 0.161 1.00 0.00 O ATOM 1504 CB ASP A 93 6.297 4.645 3.141 1.00 0.00 C ATOM 1505 CG ASP A 93 5.877 3.194 3.043 1.00 0.00 C ATOM 1506 OD1 ASP A 93 5.132 2.727 3.928 1.00 0.00 O ATOM 1507 OD2 ASP A 93 6.301 2.511 2.089 1.00 0.00 O ATOM 0 H ASP A 93 3.984 4.970 4.057 1.00 0.00 H new ATOM 0 HA ASP A 93 5.727 6.605 2.508 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.255 4.774 2.637 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.451 4.902 4.189 1.00 0.00 H new ATOM 1512 N SER A 94 3.852 4.422 0.970 1.00 0.00 N ATOM 1513 CA SER A 94 3.394 3.972 -0.333 1.00 0.00 C ATOM 1514 C SER A 94 2.945 5.172 -1.168 1.00 0.00 C ATOM 1515 O SER A 94 3.304 5.291 -2.344 1.00 0.00 O ATOM 1516 CB SER A 94 2.252 2.964 -0.162 1.00 0.00 C ATOM 1517 OG SER A 94 1.931 2.330 -1.386 1.00 0.00 O ATOM 0 H SER A 94 3.282 4.096 1.750 1.00 0.00 H new ATOM 0 HA SER A 94 4.212 3.478 -0.856 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.536 2.212 0.574 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.371 3.474 0.227 1.00 0.00 H new ATOM 0 HG SER A 94 1.265 1.629 -1.227 1.00 0.00 H new ATOM 1523 N ILE A 95 2.187 6.074 -0.542 1.00 0.00 N ATOM 1524 CA ILE A 95 1.758 7.308 -1.193 1.00 0.00 C ATOM 1525 C ILE A 95 2.966 8.107 -1.659 1.00 0.00 C ATOM 1526 O ILE A 95 3.028 8.547 -2.809 1.00 0.00 O ATOM 1527 CB ILE A 95 0.911 8.195 -0.251 1.00 0.00 C ATOM 1528 CG1 ILE A 95 -0.351 7.457 0.196 1.00 0.00 C ATOM 1529 CG2 ILE A 95 0.545 9.508 -0.939 1.00 0.00 C ATOM 1530 CD1 ILE A 95 -1.196 8.234 1.183 1.00 0.00 C ATOM 0 H ILE A 95 1.858 5.970 0.418 1.00 0.00 H new ATOM 0 HA ILE A 95 1.143 7.020 -2.046 1.00 0.00 H new ATOM 0 HB ILE A 95 1.507 8.421 0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.955 7.225 -0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.065 6.507 0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.051 10.120 -0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.455 10.045 -1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.031 9.298 -1.840 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.073 7.646 1.453 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.610 8.443 2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.514 9.173 0.730 1.00 0.00 H new ATOM 1542 N SER A 96 3.933 8.281 -0.762 1.00 0.00 N ATOM 1543 CA SER A 96 5.121 9.058 -1.069 1.00 0.00 C ATOM 1544 C SER A 96 5.924 8.398 -2.191 1.00 0.00 C ATOM 1545 O SER A 96 6.454 9.088 -3.057 1.00 0.00 O ATOM 1546 CB SER A 96 5.984 9.237 0.183 1.00 0.00 C ATOM 1547 OG SER A 96 6.937 10.273 0.004 1.00 0.00 O ATOM 0 H SER A 96 3.913 7.893 0.181 1.00 0.00 H new ATOM 0 HA SER A 96 4.807 10.044 -1.412 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.347 9.468 1.037 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.497 8.303 0.411 1.00 0.00 H new ATOM 0 HG SER A 96 7.057 10.757 0.848 1.00 0.00 H new ATOM 1553 N HIS A 97 5.988 7.064 -2.184 1.00 0.00 N ATOM 1554 CA HIS A 97 6.691 6.324 -3.234 1.00 0.00 C ATOM 1555 C HIS A 97 6.117 6.661 -4.605 1.00 0.00 C ATOM 1556 O HIS A 97 6.844 7.061 -5.514 1.00 0.00 O ATOM 1557 CB HIS A 97 6.597 4.805 -3.020 1.00 0.00 C ATOM 1558 CG HIS A 97 7.413 4.266 -1.883 1.00 0.00 C ATOM 1559 ND1 HIS A 97 8.649 4.760 -1.530 1.00 0.00 N ATOM 1560 CD2 HIS A 97 7.161 3.247 -1.024 1.00 0.00 C ATOM 1561 CE1 HIS A 97 9.121 4.074 -0.505 1.00 0.00 C ATOM 1562 NE2 HIS A 97 8.237 3.151 -0.181 1.00 0.00 N ATOM 0 H HIS A 97 5.563 6.477 -1.466 1.00 0.00 H new ATOM 0 HA HIS A 97 7.738 6.623 -3.185 1.00 0.00 H new ATOM 0 HB2 HIS A 97 5.552 4.542 -2.852 1.00 0.00 H new ATOM 0 HB3 HIS A 97 6.908 4.306 -3.938 1.00 0.00 H new ATOM 0 HD2 HIS A 97 6.277 2.627 -1.008 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.069 4.241 -0.016 1.00 0.00 H new ATOM 0 HE2 HIS A 97 8.338 2.474 0.576 1.00 0.00 H new ATOM 1571 N LEU A 98 4.805 6.502 -4.739 1.00 0.00 N ATOM 1572 CA LEU A 98 4.121 6.750 -6.003 1.00 0.00 C ATOM 1573 C LEU A 98 4.250 8.222 -6.389 1.00 0.00 C ATOM 1574 O LEU A 98 4.593 8.548 -7.525 1.00 0.00 O ATOM 1575 CB LEU A 98 2.644 6.337 -5.877 1.00 0.00 C ATOM 1576 CG LEU A 98 1.880 6.099 -7.192 1.00 0.00 C ATOM 1577 CD1 LEU A 98 1.542 7.408 -7.886 1.00 0.00 C ATOM 1578 CD2 LEU A 98 2.683 5.200 -8.120 1.00 0.00 C ATOM 0 H LEU A 98 4.191 6.201 -3.983 1.00 0.00 H new ATOM 0 HA LEU A 98 4.581 6.155 -6.791 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.595 5.423 -5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.121 7.110 -5.314 1.00 0.00 H new ATOM 0 HG LEU A 98 0.942 5.602 -6.944 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.003 7.201 -8.811 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.919 8.017 -7.231 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.462 7.947 -8.115 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.128 5.043 -9.045 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.639 5.672 -8.347 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.859 4.240 -7.634 1.00 0.00 H new ATOM 1590 N ARG A 99 3.995 9.100 -5.425 1.00 0.00 N ATOM 1591 CA ARG A 99 4.059 10.543 -5.640 1.00 0.00 C ATOM 1592 C ARG A 99 5.436 10.971 -6.150 1.00 0.00 C ATOM 1593 O ARG A 99 5.545 11.651 -7.171 1.00 0.00 O ATOM 1594 CB ARG A 99 3.740 11.271 -4.334 1.00 0.00 C ATOM 1595 CG ARG A 99 3.872 12.781 -4.420 1.00 0.00 C ATOM 1596 CD ARG A 99 3.710 13.423 -3.053 1.00 0.00 C ATOM 1597 NE ARG A 99 4.665 12.883 -2.082 1.00 0.00 N ATOM 1598 CZ ARG A 99 5.344 13.632 -1.213 1.00 0.00 C ATOM 1599 NH1 ARG A 99 5.225 14.954 -1.237 1.00 0.00 N ATOM 1600 NH2 ARG A 99 6.162 13.060 -0.334 1.00 0.00 N ATOM 0 H ARG A 99 3.739 8.833 -4.474 1.00 0.00 H new ATOM 0 HA ARG A 99 3.323 10.807 -6.399 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.723 11.022 -4.031 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.405 10.902 -3.553 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.846 13.041 -4.834 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.120 13.177 -5.102 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.849 14.501 -3.139 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.694 13.260 -2.693 1.00 0.00 H new ATOM 0 HE ARG A 99 4.819 11.875 -2.070 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.613 15.399 -1.921 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.745 15.525 -0.571 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.271 12.046 -0.324 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.680 13.635 0.330 1.00 0.00 H new ATOM 1614 N ARG A 100 6.477 10.552 -5.442 1.00 0.00 N ATOM 1615 CA ARG A 100 7.845 10.931 -5.777 1.00 0.00 C ATOM 1616 C ARG A 100 8.242 10.376 -7.143 1.00 0.00 C ATOM 1617 O ARG A 100 8.983 11.014 -7.891 1.00 0.00 O ATOM 1618 CB ARG A 100 8.798 10.431 -4.686 1.00 0.00 C ATOM 1619 CG ARG A 100 10.255 10.837 -4.869 1.00 0.00 C ATOM 1620 CD ARG A 100 10.424 12.343 -5.031 1.00 0.00 C ATOM 1621 NE ARG A 100 9.617 13.117 -4.084 1.00 0.00 N ATOM 1622 CZ ARG A 100 9.953 13.357 -2.816 1.00 0.00 C ATOM 1623 NH1 ARG A 100 11.023 12.785 -2.275 1.00 0.00 N ATOM 1624 NH2 ARG A 100 9.203 14.165 -2.079 1.00 0.00 N ATOM 0 H ARG A 100 6.399 9.945 -4.626 1.00 0.00 H new ATOM 0 HA ARG A 100 7.909 12.018 -5.831 1.00 0.00 H new ATOM 0 HB2 ARG A 100 8.451 10.804 -3.722 1.00 0.00 H new ATOM 0 HB3 ARG A 100 8.742 9.343 -4.646 1.00 0.00 H new ATOM 0 HG2 ARG A 100 10.834 10.500 -4.009 1.00 0.00 H new ATOM 0 HG3 ARG A 100 10.662 10.332 -5.745 1.00 0.00 H new ATOM 0 HD2 ARG A 100 11.475 12.601 -4.899 1.00 0.00 H new ATOM 0 HD3 ARG A 100 10.151 12.626 -6.048 1.00 0.00 H new ATOM 0 HE ARG A 100 8.733 13.500 -4.419 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.599 12.153 -2.831 1.00 0.00 H new ATOM 0 HH12 ARG A 100 11.268 12.978 -1.304 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.373 14.600 -2.482 1.00 0.00 H new ATOM 0 HH22 ARG A 100 9.456 14.352 -1.109 1.00 0.00 H new ATOM 1638 N LEU A 101 7.729 9.194 -7.469 1.00 0.00 N ATOM 1639 CA LEU A 101 7.987 8.575 -8.762 1.00 0.00 C ATOM 1640 C LEU A 101 7.365 9.407 -9.883 1.00 0.00 C ATOM 1641 O LEU A 101 7.959 9.577 -10.951 1.00 0.00 O ATOM 1642 CB LEU A 101 7.431 7.149 -8.784 1.00 0.00 C ATOM 1643 CG LEU A 101 7.722 6.350 -10.055 1.00 0.00 C ATOM 1644 CD1 LEU A 101 9.222 6.191 -10.257 1.00 0.00 C ATOM 1645 CD2 LEU A 101 7.048 4.990 -9.987 1.00 0.00 C ATOM 0 H LEU A 101 7.130 8.645 -6.852 1.00 0.00 H new ATOM 0 HA LEU A 101 9.064 8.532 -8.921 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.839 6.605 -7.932 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.351 7.196 -8.644 1.00 0.00 H new ATOM 0 HG LEU A 101 7.319 6.897 -10.907 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.408 5.620 -11.166 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.683 7.175 -10.345 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.650 5.665 -9.404 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.263 4.431 -10.898 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.426 4.439 -9.126 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.971 5.122 -9.889 1.00 0.00 H new ATOM 1657 N VAL A 102 6.172 9.935 -9.625 1.00 0.00 N ATOM 1658 CA VAL A 102 5.491 10.799 -10.584 1.00 0.00 C ATOM 1659 C VAL A 102 6.276 12.092 -10.796 1.00 0.00 C ATOM 1660 O VAL A 102 6.343 12.609 -11.911 1.00 0.00 O ATOM 1661 CB VAL A 102 4.050 11.135 -10.132 1.00 0.00 C ATOM 1662 CG1 VAL A 102 3.396 12.141 -11.069 1.00 0.00 C ATOM 1663 CG2 VAL A 102 3.210 9.871 -10.051 1.00 0.00 C ATOM 0 H VAL A 102 5.656 9.779 -8.759 1.00 0.00 H new ATOM 0 HA VAL A 102 5.434 10.251 -11.525 1.00 0.00 H new ATOM 0 HB VAL A 102 4.109 11.585 -9.141 1.00 0.00 H new ATOM 0 HG11 VAL A 102 2.385 12.356 -10.724 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.979 13.062 -11.079 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.355 11.727 -12.076 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.199 10.126 -9.732 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.172 9.396 -11.031 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.655 9.184 -9.332 1.00 0.00 H new ATOM 1673 N GLU A 103 6.881 12.597 -9.726 1.00 0.00 N ATOM 1674 CA GLU A 103 7.688 13.810 -9.800 1.00 0.00 C ATOM 1675 C GLU A 103 8.907 13.598 -10.694 1.00 0.00 C ATOM 1676 O GLU A 103 9.251 14.455 -11.506 1.00 0.00 O ATOM 1677 CB GLU A 103 8.146 14.238 -8.405 1.00 0.00 C ATOM 1678 CG GLU A 103 7.003 14.549 -7.453 1.00 0.00 C ATOM 1679 CD GLU A 103 7.488 15.024 -6.102 1.00 0.00 C ATOM 1680 OE1 GLU A 103 7.907 16.196 -5.996 1.00 0.00 O ATOM 1681 OE2 GLU A 103 7.430 14.245 -5.129 1.00 0.00 O ATOM 0 H GLU A 103 6.828 12.184 -8.795 1.00 0.00 H new ATOM 0 HA GLU A 103 7.067 14.596 -10.230 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.759 13.446 -7.975 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.781 15.119 -8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.364 15.313 -7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.390 13.657 -7.322 1.00 0.00 H new ATOM 1688 N LEU A 104 9.542 12.443 -10.544 1.00 0.00 N ATOM 1689 CA LEU A 104 10.758 12.128 -11.288 1.00 0.00 C ATOM 1690 C LEU A 104 10.472 11.945 -12.776 1.00 0.00 C ATOM 1691 O LEU A 104 11.231 12.411 -13.624 1.00 0.00 O ATOM 1692 CB LEU A 104 11.407 10.858 -10.728 1.00 0.00 C ATOM 1693 CG LEU A 104 11.819 10.926 -9.256 1.00 0.00 C ATOM 1694 CD1 LEU A 104 12.380 9.590 -8.797 1.00 0.00 C ATOM 1695 CD2 LEU A 104 12.837 12.035 -9.034 1.00 0.00 C ATOM 0 H LEU A 104 9.235 11.705 -9.911 1.00 0.00 H new ATOM 0 HA LEU A 104 11.442 12.969 -11.173 1.00 0.00 H new ATOM 0 HB2 LEU A 104 10.711 10.028 -10.855 1.00 0.00 H new ATOM 0 HB3 LEU A 104 12.290 10.628 -11.325 1.00 0.00 H new ATOM 0 HG LEU A 104 10.932 11.150 -8.663 1.00 0.00 H new ATOM 0 HD11 LEU A 104 12.668 9.657 -7.748 1.00 0.00 H new ATOM 0 HD12 LEU A 104 11.621 8.816 -8.916 1.00 0.00 H new ATOM 0 HD13 LEU A 104 13.254 9.337 -9.397 1.00 0.00 H new ATOM 0 HD21 LEU A 104 13.117 12.067 -7.981 1.00 0.00 H new ATOM 0 HD22 LEU A 104 13.723 11.842 -9.639 1.00 0.00 H new ATOM 0 HD23 LEU A 104 12.402 12.992 -9.323 1.00 0.00 H new ATOM 1707 N ASN A 105 9.373 11.273 -13.088 1.00 0.00 N ATOM 1708 CA ASN A 105 9.050 10.945 -14.474 1.00 0.00 C ATOM 1709 C ASN A 105 8.141 11.991 -15.108 1.00 0.00 C ATOM 1710 O ASN A 105 7.825 11.903 -16.297 1.00 0.00 O ATOM 1711 CB ASN A 105 8.387 9.567 -14.556 1.00 0.00 C ATOM 1712 CG ASN A 105 9.336 8.437 -14.200 1.00 0.00 C ATOM 1713 OD1 ASN A 105 10.539 8.510 -14.453 1.00 0.00 O ATOM 1714 ND2 ASN A 105 8.803 7.379 -13.610 1.00 0.00 N ATOM 0 H ASN A 105 8.691 10.944 -12.405 1.00 0.00 H new ATOM 0 HA ASN A 105 9.987 10.932 -15.030 1.00 0.00 H new ATOM 0 HB2 ASN A 105 7.529 9.541 -13.884 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.006 9.411 -15.565 1.00 0.00 H new ATOM 0 HD21 ASN A 105 9.393 6.589 -13.349 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.802 7.354 -13.416 1.00 0.00 H new ATOM 1721 N LEU A 106 7.741 12.985 -14.316 1.00 0.00 N ATOM 1722 CA LEU A 106 6.790 14.004 -14.759 1.00 0.00 C ATOM 1723 C LEU A 106 5.502 13.345 -15.246 1.00 0.00 C ATOM 1724 O LEU A 106 5.004 13.646 -16.328 1.00 0.00 O ATOM 1725 CB LEU A 106 7.383 14.897 -15.864 1.00 0.00 C ATOM 1726 CG LEU A 106 8.441 15.912 -15.410 1.00 0.00 C ATOM 1727 CD1 LEU A 106 9.753 15.226 -15.065 1.00 0.00 C ATOM 1728 CD2 LEU A 106 8.659 16.965 -16.483 1.00 0.00 C ATOM 0 H LEU A 106 8.064 13.107 -13.356 1.00 0.00 H new ATOM 0 HA LEU A 106 6.567 14.643 -13.904 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.827 14.254 -16.624 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.568 15.440 -16.342 1.00 0.00 H new ATOM 0 HG LEU A 106 8.072 16.400 -14.508 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.481 15.972 -14.747 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.589 14.512 -14.258 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.131 14.701 -15.942 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.412 17.677 -16.146 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.999 16.485 -17.401 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.723 17.490 -16.673 1.00 0.00 H new ATOM 1740 N GLY A 107 4.966 12.457 -14.414 1.00 0.00 N ATOM 1741 CA GLY A 107 3.773 11.697 -14.770 1.00 0.00 C ATOM 1742 C GLY A 107 2.498 12.527 -14.794 1.00 0.00 C ATOM 1743 O GLY A 107 1.413 11.981 -14.984 1.00 0.00 O ATOM 0 H GLY A 107 5.339 12.246 -13.488 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.920 11.247 -15.752 1.00 0.00 H new ATOM 0 HA3 GLY A 107 3.649 10.879 -14.060 1.00 0.00 H new ATOM 1747 N ASP A 108 2.639 13.836 -14.596 1.00 0.00 N ATOM 1748 CA ASP A 108 1.525 14.788 -14.667 1.00 0.00 C ATOM 1749 C ASP A 108 0.569 14.655 -13.486 1.00 0.00 C ATOM 1750 O ASP A 108 -0.202 13.698 -13.385 1.00 0.00 O ATOM 1751 CB ASP A 108 0.750 14.674 -15.988 1.00 0.00 C ATOM 1752 CG ASP A 108 1.522 15.228 -17.167 1.00 0.00 C ATOM 1753 OD1 ASP A 108 1.566 14.564 -18.226 1.00 0.00 O ATOM 1754 OD2 ASP A 108 2.092 16.333 -17.040 1.00 0.00 O ATOM 0 H ASP A 108 3.535 14.272 -14.380 1.00 0.00 H new ATOM 0 HA ASP A 108 1.979 15.778 -14.621 1.00 0.00 H new ATOM 0 HB2 ASP A 108 0.511 13.627 -16.175 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -0.197 15.206 -15.896 1.00 0.00 H new ATOM 1759 N GLU A 109 0.617 15.647 -12.602 1.00 0.00 N ATOM 1760 CA GLU A 109 -0.293 15.731 -11.463 1.00 0.00 C ATOM 1761 C GLU A 109 -1.742 15.841 -11.932 1.00 0.00 C ATOM 1762 O GLU A 109 -2.673 15.523 -11.189 1.00 0.00 O ATOM 1763 CB GLU A 109 0.067 16.939 -10.592 1.00 0.00 C ATOM 1764 CG GLU A 109 0.046 18.259 -11.350 1.00 0.00 C ATOM 1765 CD GLU A 109 0.479 19.430 -10.497 1.00 0.00 C ATOM 1766 OE1 GLU A 109 -0.391 20.085 -9.888 1.00 0.00 O ATOM 1767 OE2 GLU A 109 1.697 19.706 -10.437 1.00 0.00 O ATOM 0 H GLU A 109 1.287 16.415 -12.654 1.00 0.00 H new ATOM 0 HA GLU A 109 -0.190 14.819 -10.874 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.632 16.997 -9.757 1.00 0.00 H new ATOM 0 HB3 GLU A 109 1.059 16.788 -10.167 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.701 18.185 -12.218 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.961 18.441 -11.726 1.00 0.00 H new ATOM 1774 N GLU A 110 -1.919 16.292 -13.174 1.00 0.00 N ATOM 1775 CA GLU A 110 -3.239 16.407 -13.781 1.00 0.00 C ATOM 1776 C GLU A 110 -3.989 15.084 -13.698 1.00 0.00 C ATOM 1777 O GLU A 110 -5.160 15.046 -13.330 1.00 0.00 O ATOM 1778 CB GLU A 110 -3.121 16.842 -15.244 1.00 0.00 C ATOM 1779 CG GLU A 110 -2.565 18.243 -15.426 1.00 0.00 C ATOM 1780 CD GLU A 110 -2.420 18.624 -16.885 1.00 0.00 C ATOM 1781 OE1 GLU A 110 -1.301 18.993 -17.300 1.00 0.00 O ATOM 1782 OE2 GLU A 110 -3.420 18.549 -17.629 1.00 0.00 O ATOM 0 H GLU A 110 -1.154 16.586 -13.782 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.798 17.163 -13.229 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -2.480 16.136 -15.772 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.105 16.789 -15.709 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -3.221 18.958 -14.930 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -1.593 18.311 -14.938 1.00 0.00 H new ATOM 1789 N LEU A 111 -3.293 14.000 -14.009 1.00 0.00 N ATOM 1790 CA LEU A 111 -3.897 12.676 -14.009 1.00 0.00 C ATOM 1791 C LEU A 111 -4.280 12.257 -12.592 1.00 0.00 C ATOM 1792 O LEU A 111 -5.365 11.723 -12.358 1.00 0.00 O ATOM 1793 CB LEU A 111 -2.924 11.653 -14.605 1.00 0.00 C ATOM 1794 CG LEU A 111 -2.328 12.027 -15.966 1.00 0.00 C ATOM 1795 CD1 LEU A 111 -1.401 10.929 -16.461 1.00 0.00 C ATOM 1796 CD2 LEU A 111 -3.424 12.292 -16.986 1.00 0.00 C ATOM 0 H LEU A 111 -2.306 14.012 -14.265 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.800 12.712 -14.618 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.107 11.500 -13.900 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -3.442 10.699 -14.704 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.750 12.943 -15.841 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.987 11.211 -17.429 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.590 10.788 -15.746 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.960 9.999 -16.563 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -2.974 12.555 -17.943 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.034 11.397 -17.106 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.051 13.114 -16.641 1.00 0.00 H new ATOM 1808 N LEU A 112 -3.396 12.543 -11.645 1.00 0.00 N ATOM 1809 CA LEU A 112 -3.561 12.092 -10.265 1.00 0.00 C ATOM 1810 C LEU A 112 -4.728 12.785 -9.568 1.00 0.00 C ATOM 1811 O LEU A 112 -5.340 12.215 -8.659 1.00 0.00 O ATOM 1812 CB LEU A 112 -2.279 12.347 -9.469 1.00 0.00 C ATOM 1813 CG LEU A 112 -1.030 11.632 -9.983 1.00 0.00 C ATOM 1814 CD1 LEU A 112 0.181 12.035 -9.158 1.00 0.00 C ATOM 1815 CD2 LEU A 112 -1.220 10.122 -9.948 1.00 0.00 C ATOM 0 H LEU A 112 -2.550 13.090 -11.807 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.774 11.024 -10.302 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.085 13.420 -9.461 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.449 12.046 -8.435 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.863 11.929 -11.018 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.065 11.519 -9.533 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.330 13.112 -9.233 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.018 11.763 -8.115 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.319 9.633 -10.318 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.411 9.803 -8.923 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.066 9.847 -10.577 1.00 0.00 H new ATOM 1827 N GLU A 113 -5.052 13.996 -9.999 1.00 0.00 N ATOM 1828 CA GLU A 113 -6.010 14.817 -9.275 1.00 0.00 C ATOM 1829 C GLU A 113 -7.290 15.075 -10.068 1.00 0.00 C ATOM 1830 O GLU A 113 -8.011 16.029 -9.788 1.00 0.00 O ATOM 1831 CB GLU A 113 -5.368 16.143 -8.866 1.00 0.00 C ATOM 1832 CG GLU A 113 -5.197 16.294 -7.361 1.00 0.00 C ATOM 1833 CD GLU A 113 -6.517 16.232 -6.614 1.00 0.00 C ATOM 1834 OE1 GLU A 113 -7.258 17.239 -6.621 1.00 0.00 O ATOM 1835 OE2 GLU A 113 -6.831 15.175 -6.030 1.00 0.00 O ATOM 0 H GLU A 113 -4.669 14.428 -10.840 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.296 14.257 -8.385 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -4.393 16.229 -9.345 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.980 16.964 -9.239 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -4.538 15.507 -6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -4.708 17.245 -7.148 1.00 0.00 H new ATOM 1842 N ARG A 114 -7.603 14.214 -11.031 1.00 0.00 N ATOM 1843 CA ARG A 114 -8.896 14.305 -11.696 1.00 0.00 C ATOM 1844 C ARG A 114 -9.944 13.558 -10.877 1.00 0.00 C ATOM 1845 O ARG A 114 -10.506 14.108 -9.934 1.00 0.00 O ATOM 1846 CB ARG A 114 -8.839 13.769 -13.134 1.00 0.00 C ATOM 1847 CG ARG A 114 -8.088 14.682 -14.087 1.00 0.00 C ATOM 1848 CD ARG A 114 -8.172 14.196 -15.527 1.00 0.00 C ATOM 1849 NE ARG A 114 -7.524 12.898 -15.719 1.00 0.00 N ATOM 1850 CZ ARG A 114 -7.108 12.444 -16.903 1.00 0.00 C ATOM 1851 NH1 ARG A 114 -7.269 13.183 -17.994 1.00 0.00 N ATOM 1852 NH2 ARG A 114 -6.528 11.253 -16.997 1.00 0.00 N ATOM 0 H ARG A 114 -6.996 13.464 -11.361 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.173 15.357 -11.763 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -8.363 12.789 -13.130 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -9.855 13.628 -13.502 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -8.496 15.690 -14.020 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -7.042 14.741 -13.785 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -9.219 14.123 -15.822 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -7.706 14.931 -16.183 1.00 0.00 H new ATOM 0 HE ARG A 114 -7.382 12.306 -14.901 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -7.711 14.100 -17.928 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -6.950 12.834 -18.898 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -6.399 10.681 -16.162 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -6.212 10.910 -17.904 1.00 0.00 H new ATOM 1866 N GLU A 115 -10.174 12.300 -11.228 1.00 0.00 N ATOM 1867 CA GLU A 115 -11.055 11.412 -10.479 1.00 0.00 C ATOM 1868 C GLU A 115 -11.016 10.061 -11.183 1.00 0.00 C ATOM 1869 O GLU A 115 -10.516 9.983 -12.298 1.00 0.00 O ATOM 1870 CB GLU A 115 -12.491 11.974 -10.455 1.00 0.00 C ATOM 1871 CG GLU A 115 -13.273 11.703 -9.175 1.00 0.00 C ATOM 1872 CD GLU A 115 -13.507 10.232 -8.932 1.00 0.00 C ATOM 1873 OE1 GLU A 115 -14.356 9.640 -9.624 1.00 0.00 O ATOM 1874 OE2 GLU A 115 -12.811 9.652 -8.077 1.00 0.00 O ATOM 0 H GLU A 115 -9.751 11.863 -12.047 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.730 11.318 -9.443 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.445 13.052 -10.612 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -13.043 11.553 -11.295 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -12.732 12.125 -8.328 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -14.234 12.215 -9.226 1.00 0.00 H new ATOM 1881 N LEU A 116 -11.506 9.014 -10.542 1.00 0.00 N ATOM 1882 CA LEU A 116 -11.605 7.709 -11.180 1.00 0.00 C ATOM 1883 C LEU A 116 -12.588 7.775 -12.346 1.00 0.00 C ATOM 1884 O LEU A 116 -12.328 7.239 -13.421 1.00 0.00 O ATOM 1885 CB LEU A 116 -12.043 6.644 -10.165 1.00 0.00 C ATOM 1886 CG LEU A 116 -12.148 5.217 -10.713 1.00 0.00 C ATOM 1887 CD1 LEU A 116 -10.811 4.760 -11.281 1.00 0.00 C ATOM 1888 CD2 LEU A 116 -12.613 4.264 -9.623 1.00 0.00 C ATOM 0 H LEU A 116 -11.842 9.040 -9.579 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.623 7.429 -11.562 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.336 6.645 -9.335 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -13.013 6.931 -9.758 1.00 0.00 H new ATOM 0 HG LEU A 116 -12.883 5.212 -11.518 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -10.907 3.744 -11.665 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -10.512 5.427 -12.090 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.056 4.781 -10.495 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.683 3.254 -10.028 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -11.899 4.276 -8.800 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -13.592 4.577 -9.259 1.00 0.00 H new ATOM 1900 N ALA A 117 -13.703 8.469 -12.135 1.00 0.00 N ATOM 1901 CA ALA A 117 -14.703 8.649 -13.182 1.00 0.00 C ATOM 1902 C ALA A 117 -14.244 9.685 -14.208 1.00 0.00 C ATOM 1903 O ALA A 117 -14.850 9.839 -15.270 1.00 0.00 O ATOM 1904 CB ALA A 117 -16.034 9.060 -12.571 1.00 0.00 C ATOM 0 H ALA A 117 -13.936 8.916 -11.248 1.00 0.00 H new ATOM 0 HA ALA A 117 -14.831 7.698 -13.699 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -16.772 9.191 -13.362 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -16.373 8.286 -11.883 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -15.912 9.998 -12.030 1.00 0.00 H new ATOM 1910 N LEU A 118 -13.168 10.389 -13.883 1.00 0.00 N ATOM 1911 CA LEU A 118 -12.601 11.394 -14.777 1.00 0.00 C ATOM 1912 C LEU A 118 -11.312 10.883 -15.400 1.00 0.00 C ATOM 1913 O LEU A 118 -10.632 11.608 -16.127 1.00 0.00 O ATOM 1914 CB LEU A 118 -12.293 12.688 -14.021 1.00 0.00 C ATOM 1915 CG LEU A 118 -13.489 13.401 -13.395 1.00 0.00 C ATOM 1916 CD1 LEU A 118 -13.024 14.643 -12.652 1.00 0.00 C ATOM 1917 CD2 LEU A 118 -14.505 13.767 -14.459 1.00 0.00 C ATOM 0 H LEU A 118 -12.666 10.283 -13.001 1.00 0.00 H new ATOM 0 HA LEU A 118 -13.338 11.594 -15.554 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.577 12.462 -13.231 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.803 13.378 -14.708 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.967 12.727 -12.684 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -13.884 15.145 -12.209 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -12.326 14.356 -11.865 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.528 15.319 -13.348 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -15.351 14.274 -13.995 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.042 14.428 -15.192 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -14.853 12.862 -14.956 1.00 0.00 H new ATOM 1929 N LEU A 119 -10.967 9.642 -15.104 1.00 0.00 N ATOM 1930 CA LEU A 119 -9.672 9.118 -15.492 1.00 0.00 C ATOM 1931 C LEU A 119 -9.750 8.360 -16.805 1.00 0.00 C ATOM 1932 O LEU A 119 -10.485 7.383 -16.936 1.00 0.00 O ATOM 1933 CB LEU A 119 -9.111 8.223 -14.386 1.00 0.00 C ATOM 1934 CG LEU A 119 -7.627 8.433 -14.090 1.00 0.00 C ATOM 1935 CD1 LEU A 119 -7.343 9.909 -13.888 1.00 0.00 C ATOM 1936 CD2 LEU A 119 -7.216 7.660 -12.852 1.00 0.00 C ATOM 0 H LEU A 119 -11.561 8.984 -14.600 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.998 9.962 -15.639 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.679 8.398 -13.472 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.269 7.181 -14.665 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.050 8.067 -14.939 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.283 10.050 -13.677 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.610 10.458 -14.791 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.932 10.281 -13.050 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.156 7.822 -12.657 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.799 8.005 -11.998 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.398 6.597 -13.010 1.00 0.00 H new ATOM 1948 N VAL A 120 -8.988 8.834 -17.776 1.00 0.00 N ATOM 1949 CA VAL A 120 -8.889 8.177 -19.064 1.00 0.00 C ATOM 1950 C VAL A 120 -7.526 7.519 -19.156 1.00 0.00 C ATOM 1951 O VAL A 120 -6.566 8.002 -18.556 1.00 0.00 O ATOM 1952 CB VAL A 120 -9.065 9.173 -20.236 1.00 0.00 C ATOM 1953 CG1 VAL A 120 -9.086 8.443 -21.573 1.00 0.00 C ATOM 1954 CG2 VAL A 120 -10.330 10.001 -20.056 1.00 0.00 C ATOM 0 H VAL A 120 -8.424 9.680 -17.693 1.00 0.00 H new ATOM 0 HA VAL A 120 -9.687 7.439 -19.143 1.00 0.00 H new ATOM 0 HB VAL A 120 -8.210 9.850 -20.233 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -9.211 9.165 -22.380 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -8.148 7.906 -21.709 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -9.915 7.735 -21.588 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -10.433 10.694 -20.891 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -11.196 9.340 -20.024 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -10.268 10.563 -19.124 1.00 0.00 H new ATOM 1964 N SER A 121 -7.437 6.425 -19.887 1.00 0.00 N ATOM 1965 CA SER A 121 -6.182 5.714 -20.004 1.00 0.00 C ATOM 1966 C SER A 121 -5.231 6.472 -20.929 1.00 0.00 C ATOM 1967 O SER A 121 -5.637 7.425 -21.602 1.00 0.00 O ATOM 1968 CB SER A 121 -6.418 4.292 -20.519 1.00 0.00 C ATOM 1969 OG SER A 121 -5.267 3.487 -20.321 1.00 0.00 O ATOM 0 H SER A 121 -8.213 6.013 -20.405 1.00 0.00 H new ATOM 0 HA SER A 121 -5.725 5.647 -19.017 1.00 0.00 H new ATOM 0 HB2 SER A 121 -7.270 3.850 -20.002 1.00 0.00 H new ATOM 0 HB3 SER A 121 -6.669 4.321 -21.579 1.00 0.00 H new ATOM 0 HG SER A 121 -4.951 3.590 -19.399 1.00 0.00 H new ATOM 1975 N ALA A 122 -3.969 6.046 -20.938 1.00 0.00 N ATOM 1976 CA ALA A 122 -2.940 6.618 -21.806 1.00 0.00 C ATOM 1977 C ALA A 122 -3.447 6.821 -23.232 1.00 0.00 C ATOM 1978 O ALA A 122 -3.126 7.819 -23.879 1.00 0.00 O ATOM 1979 CB ALA A 122 -1.708 5.724 -21.808 1.00 0.00 C ATOM 0 H ALA A 122 -3.630 5.292 -20.341 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.678 7.599 -21.410 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -0.946 6.156 -22.456 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -1.317 5.641 -20.794 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -1.978 4.734 -22.175 1.00 0.00 H new ATOM 1985 N HIS A 123 -4.243 5.877 -23.721 1.00 0.00 N ATOM 1986 CA HIS A 123 -4.850 6.025 -25.033 1.00 0.00 C ATOM 1987 C HIS A 123 -6.232 6.667 -24.894 1.00 0.00 C ATOM 1988 O HIS A 123 -7.239 5.995 -24.673 1.00 0.00 O ATOM 1989 CB HIS A 123 -4.904 4.680 -25.798 1.00 0.00 C ATOM 1990 CG HIS A 123 -5.902 3.670 -25.297 1.00 0.00 C ATOM 1991 ND1 HIS A 123 -6.875 3.127 -26.104 1.00 0.00 N ATOM 1992 CD2 HIS A 123 -6.066 3.097 -24.080 1.00 0.00 C ATOM 1993 CE1 HIS A 123 -7.592 2.265 -25.411 1.00 0.00 C ATOM 1994 NE2 HIS A 123 -7.123 2.222 -24.177 1.00 0.00 N ATOM 0 H HIS A 123 -4.479 5.012 -23.234 1.00 0.00 H new ATOM 0 HA HIS A 123 -4.225 6.687 -25.633 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -5.125 4.890 -26.845 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -3.913 4.227 -25.766 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -5.476 3.291 -23.197 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -8.424 1.690 -25.789 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -7.484 1.638 -23.423 1.00 0.00 H new ATOM 2003 N ASP A 124 -6.259 7.987 -24.959 1.00 0.00 N ATOM 2004 CA ASP A 124 -7.510 8.725 -24.876 1.00 0.00 C ATOM 2005 C ASP A 124 -8.238 8.655 -26.209 1.00 0.00 C ATOM 2006 O ASP A 124 -7.691 9.013 -27.255 1.00 0.00 O ATOM 2007 CB ASP A 124 -7.262 10.179 -24.451 1.00 0.00 C ATOM 2008 CG ASP A 124 -6.224 10.885 -25.304 1.00 0.00 C ATOM 2009 OD1 ASP A 124 -5.022 10.563 -25.172 1.00 0.00 O ATOM 2010 OD2 ASP A 124 -6.599 11.778 -26.092 1.00 0.00 O ATOM 0 H ASP A 124 -5.430 8.571 -25.069 1.00 0.00 H new ATOM 0 HA ASP A 124 -8.140 8.268 -24.113 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -8.201 10.731 -24.503 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -6.939 10.196 -23.410 1.00 0.00 H new ATOM 2015 N ASP A 125 -9.462 8.160 -26.171 1.00 0.00 N ATOM 2016 CA ASP A 125 -10.224 7.910 -27.382 1.00 0.00 C ATOM 2017 C ASP A 125 -11.625 8.488 -27.257 1.00 0.00 C ATOM 2018 O ASP A 125 -12.485 7.842 -26.624 1.00 0.00 O ATOM 2019 CB ASP A 125 -10.286 6.406 -27.656 1.00 0.00 C ATOM 2020 CG ASP A 125 -11.038 6.075 -28.925 1.00 0.00 C ATOM 2021 OD1 ASP A 125 -10.656 6.588 -29.996 1.00 0.00 O ATOM 2022 OD2 ASP A 125 -11.994 5.276 -28.866 1.00 0.00 O ATOM 0 H ASP A 125 -9.952 7.922 -25.309 1.00 0.00 H new ATOM 0 HA ASP A 125 -9.727 8.400 -28.220 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -9.272 6.011 -27.726 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -10.765 5.907 -26.814 1.00 0.00 H new TER 2027 ASP A 125