USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 731 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 5 THR OG1 : rot 16:sc= 0.244 USER MOD Set 1.2: A 92 GLN : amide:sc= 0 K(o=0.24,f=-0.84) USER MOD Set 2.1: A 79 GLN : amide:sc= -3.74 K(o=-3.4,f=-7.3!) USER MOD Set 2.2: A 86 SER OG : rot 180:sc= 0.34 USER MOD Set 3.1: A 44 SER OG : rot 180:sc= -1.18! USER MOD Set 3.2: A 66 SER OG : rot 100:sc= -2.34 USER MOD Set 4.1: A 51 HIS : no HD1:sc= -4.74! C(o=-6.6!,f=-7.2!) USER MOD Set 4.2: A 54 HIS : no HD1:sc= -1.83 K(o=-6.6,f=-7.2!) USER MOD Set 5.1: A 10 THR OG1 : rot 101:sc= -2.2 USER MOD Set 5.2: A 81 MET CE :methyl -122:sc= -4.11 (180deg=-8.46!) USER MOD Set 6.1: A 6 SER OG : rot 120:sc= -2.31 USER MOD Set 6.2: A 57 MET CE :methyl -126:sc= -4.7! (180deg=-8.43!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= -1.44! (180deg=-1.55!) USER MOD Single : A 4 SER OG : rot 124:sc= 0.23 USER MOD Single : A 7 HIS :FLIP no HD1:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 12 SER OG : rot -62:sc= 1.09 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -4.04! C(o=-4!,f=-5.1!) USER MOD Single : A 21 CYS SG : rot -114:sc= 0.186 USER MOD Single : A 22 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00926) USER MOD Single : A 23 HIS :FLIP no HD1:sc= -0.102 F(o=-0.69,f=-0.1) USER MOD Single : A 26 HIS : no HD1:sc= -0.0647 X(o=-0.065,f=-0.24) USER MOD Single : A 27 LYS NZ :NH3+ 150:sc= -0.372 (180deg=-1.6!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -5.18! C(o=-5.2!,f=-6.8!) USER MOD Single : A 46 CYS SG : rot 180:sc= -2.79! USER MOD Single : A 60 ASN : amide:sc= -0.644 K(o=-0.64,f=-5.5!) USER MOD Single : A 61 SER OG : rot -72:sc= -6.68! USER MOD Single : A 69 HIS :FLIP no HE2:sc= -0.0167 F(o=-0.82,f=-0.017) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.24! C(o=-1.2!,f=-1.2!) USER MOD Single : A 72 ASN : amide:sc= -0.0209 X(o=-0.021,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -2.61 K(o=-2.6,f=-4!) USER MOD Single : A 83 ASN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.387 15.285 -5.711 1.00 0.00 N ATOM 2 CA MET A 1 6.902 14.326 -4.680 1.00 0.00 C ATOM 3 C MET A 1 5.483 14.659 -4.233 1.00 0.00 C ATOM 4 O MET A 1 5.258 15.425 -3.298 1.00 0.00 O ATOM 5 CB MET A 1 7.879 14.320 -3.501 1.00 0.00 C ATOM 6 CG MET A 1 7.892 15.608 -2.690 1.00 0.00 C ATOM 7 SD MET A 1 7.858 15.309 -0.911 1.00 0.00 S ATOM 8 CE MET A 1 7.053 16.801 -0.334 1.00 0.00 C ATOM 0 H1 MET A 1 8.392 15.105 -5.907 1.00 0.00 H new ATOM 0 H2 MET A 1 6.836 15.163 -6.585 1.00 0.00 H new ATOM 0 H3 MET A 1 7.272 16.258 -5.362 1.00 0.00 H new ATOM 0 HA MET A 1 6.864 13.326 -5.112 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.627 13.491 -2.840 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.884 14.132 -3.878 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.784 16.182 -2.941 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.032 16.217 -2.969 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.958 16.767 0.751 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.648 17.669 -0.619 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.062 16.877 -0.783 1.00 0.00 H new ATOM 17 N PHE A 2 4.532 14.049 -4.919 1.00 0.00 N ATOM 18 CA PHE A 2 3.114 14.236 -4.624 1.00 0.00 C ATOM 19 C PHE A 2 2.642 13.105 -3.717 1.00 0.00 C ATOM 20 O PHE A 2 3.382 12.145 -3.500 1.00 0.00 O ATOM 21 CB PHE A 2 2.288 14.274 -5.920 1.00 0.00 C ATOM 22 CG PHE A 2 3.075 14.659 -7.142 1.00 0.00 C ATOM 23 CD1 PHE A 2 3.608 15.933 -7.266 1.00 0.00 C ATOM 24 CD2 PHE A 2 3.267 13.753 -8.172 1.00 0.00 C ATOM 25 CE1 PHE A 2 4.321 16.293 -8.393 1.00 0.00 C ATOM 26 CE2 PHE A 2 3.976 14.108 -9.301 1.00 0.00 C ATOM 27 CZ PHE A 2 4.506 15.379 -9.413 1.00 0.00 C ATOM 0 H PHE A 2 4.715 13.412 -5.694 1.00 0.00 H new ATOM 0 HA PHE A 2 2.974 15.190 -4.116 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.843 13.292 -6.083 1.00 0.00 H new ATOM 0 HB3 PHE A 2 1.467 14.979 -5.793 1.00 0.00 H new ATOM 0 HD1 PHE A 2 3.464 16.652 -6.473 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.857 12.757 -8.090 1.00 0.00 H new ATOM 0 HE1 PHE A 2 4.733 17.288 -8.477 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.117 13.392 -10.097 1.00 0.00 H new ATOM 0 HZ PHE A 2 5.063 15.658 -10.295 1.00 0.00 H new ATOM 37 N ARG A 3 1.426 13.197 -3.178 1.00 0.00 N ATOM 38 CA ARG A 3 0.943 12.133 -2.300 1.00 0.00 C ATOM 39 C ARG A 3 -0.574 11.939 -2.382 1.00 0.00 C ATOM 40 O ARG A 3 -1.349 12.871 -2.165 1.00 0.00 O ATOM 41 CB ARG A 3 1.368 12.384 -0.845 1.00 0.00 C ATOM 42 CG ARG A 3 2.159 11.229 -0.254 1.00 0.00 C ATOM 43 CD ARG A 3 3.643 11.546 -0.151 1.00 0.00 C ATOM 44 NE ARG A 3 4.128 11.442 1.224 1.00 0.00 N ATOM 45 CZ ARG A 3 3.963 12.391 2.142 1.00 0.00 C ATOM 46 NH1 ARG A 3 3.328 13.516 1.838 1.00 0.00 N ATOM 47 NH2 ARG A 3 4.436 12.216 3.368 1.00 0.00 N ATOM 0 H ARG A 3 0.777 13.970 -3.327 1.00 0.00 H new ATOM 0 HA ARG A 3 1.405 11.211 -2.653 1.00 0.00 H new ATOM 0 HB2 ARG A 3 1.970 13.292 -0.799 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.480 12.559 -0.237 1.00 0.00 H new ATOM 0 HG2 ARG A 3 1.770 10.993 0.736 1.00 0.00 H new ATOM 0 HG3 ARG A 3 2.020 10.342 -0.871 1.00 0.00 H new ATOM 0 HD2 ARG A 3 4.205 10.862 -0.787 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.826 12.553 -0.525 1.00 0.00 H new ATOM 0 HE ARG A 3 4.622 10.592 1.496 1.00 0.00 H new ATOM 0 HH11 ARG A 3 2.963 13.657 0.896 1.00 0.00 H new ATOM 0 HH12 ARG A 3 3.205 14.240 2.546 1.00 0.00 H new ATOM 0 HH21 ARG A 3 4.926 11.354 3.607 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.310 12.943 4.072 1.00 0.00 H new ATOM 61 N SER A 4 -0.975 10.699 -2.668 1.00 0.00 N ATOM 62 CA SER A 4 -2.379 10.312 -2.761 1.00 0.00 C ATOM 63 C SER A 4 -2.688 9.302 -1.665 1.00 0.00 C ATOM 64 O SER A 4 -1.770 8.720 -1.086 1.00 0.00 O ATOM 65 CB SER A 4 -2.676 9.692 -4.134 1.00 0.00 C ATOM 66 OG SER A 4 -3.650 8.666 -4.038 1.00 0.00 O ATOM 0 H SER A 4 -0.327 9.931 -2.843 1.00 0.00 H new ATOM 0 HA SER A 4 -3.003 11.197 -2.639 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.027 10.466 -4.816 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.758 9.286 -4.558 1.00 0.00 H new ATOM 0 HG SER A 4 -4.395 8.865 -4.642 1.00 0.00 H new ATOM 72 N THR A 5 -3.965 9.085 -1.376 1.00 0.00 N ATOM 73 CA THR A 5 -4.321 8.128 -0.339 1.00 0.00 C ATOM 74 C THR A 5 -5.620 7.387 -0.645 1.00 0.00 C ATOM 75 O THR A 5 -6.654 8.001 -0.908 1.00 0.00 O ATOM 76 CB THR A 5 -4.428 8.821 1.027 1.00 0.00 C ATOM 77 OG1 THR A 5 -5.579 9.644 1.078 1.00 0.00 O ATOM 78 CG2 THR A 5 -3.233 9.688 1.388 1.00 0.00 C ATOM 0 H THR A 5 -4.753 9.546 -1.832 1.00 0.00 H new ATOM 0 HA THR A 5 -3.520 7.389 -0.311 1.00 0.00 H new ATOM 0 HB THR A 5 -4.478 8.003 1.746 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.187 9.401 0.349 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.393 10.138 2.368 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.333 9.074 1.414 1.00 0.00 H new ATOM 0 HG23 THR A 5 -3.115 10.474 0.642 1.00 0.00 H new ATOM 86 N SER A 6 -5.558 6.057 -0.584 1.00 0.00 N ATOM 87 CA SER A 6 -6.729 5.218 -0.829 1.00 0.00 C ATOM 88 C SER A 6 -7.210 4.573 0.474 1.00 0.00 C ATOM 89 O SER A 6 -6.420 3.982 1.210 1.00 0.00 O ATOM 90 CB SER A 6 -6.405 4.133 -1.858 1.00 0.00 C ATOM 91 OG SER A 6 -7.577 3.441 -2.255 1.00 0.00 O ATOM 0 H SER A 6 -4.708 5.538 -0.367 1.00 0.00 H new ATOM 0 HA SER A 6 -7.524 5.851 -1.223 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.932 4.584 -2.730 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.688 3.429 -1.435 1.00 0.00 H new ATOM 0 HG SER A 6 -7.708 3.546 -3.221 1.00 0.00 H new ATOM 97 N HIS A 7 -8.507 4.694 0.754 1.00 0.00 N ATOM 98 CA HIS A 7 -9.087 4.123 1.975 1.00 0.00 C ATOM 99 C HIS A 7 -10.059 2.985 1.647 1.00 0.00 C ATOM 100 O HIS A 7 -10.931 3.131 0.791 1.00 0.00 O ATOM 101 CB HIS A 7 -9.809 5.209 2.779 1.00 0.00 C ATOM 102 CG HIS A 7 -9.972 4.885 4.233 1.00 0.00 C ATOM 103 ND1 HIS A 7 -10.169 3.702 4.867 1.00 0.00 N flip ATOM 104 CD2 HIS A 7 -9.947 5.846 5.224 1.00 0.00 C flip ATOM 105 CE1 HIS A 7 -10.255 3.971 6.210 1.00 0.00 C flip ATOM 106 NE2 HIS A 7 -10.117 5.269 6.400 1.00 0.00 N flip ATOM 0 H HIS A 7 -9.176 5.180 0.157 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.272 3.715 2.573 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.256 6.144 2.685 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.794 5.376 2.342 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.810 6.905 5.063 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -10.411 3.237 6.987 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -10.138 5.746 7.301 1.00 0.00 H new ATOM 115 N VAL A 8 -9.898 1.849 2.330 1.00 0.00 N ATOM 116 CA VAL A 8 -10.758 0.687 2.108 1.00 0.00 C ATOM 117 C VAL A 8 -11.102 0.003 3.427 1.00 0.00 C ATOM 118 O VAL A 8 -10.331 0.075 4.384 1.00 0.00 O ATOM 119 CB VAL A 8 -10.088 -0.349 1.178 1.00 0.00 C ATOM 120 CG1 VAL A 8 -11.131 -1.238 0.515 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.220 0.334 0.130 1.00 0.00 C ATOM 0 H VAL A 8 -9.180 1.710 3.041 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.667 1.058 1.634 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.443 -0.978 1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.635 -1.959 -0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.696 -1.769 1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.810 -0.624 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.761 -0.420 -0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.836 0.998 -0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.440 0.913 0.625 1.00 0.00 H new ATOM 131 N ARG A 9 -12.243 -0.685 3.476 1.00 0.00 N ATOM 132 CA ARG A 9 -12.625 -1.394 4.698 1.00 0.00 C ATOM 133 C ARG A 9 -12.307 -2.885 4.562 1.00 0.00 C ATOM 134 O ARG A 9 -12.992 -3.615 3.846 1.00 0.00 O ATOM 135 CB ARG A 9 -14.116 -1.198 5.016 1.00 0.00 C ATOM 136 CG ARG A 9 -14.375 -0.102 6.038 1.00 0.00 C ATOM 137 CD ARG A 9 -14.090 1.277 5.465 1.00 0.00 C ATOM 138 NE ARG A 9 -15.296 1.911 4.938 1.00 0.00 N ATOM 139 CZ ARG A 9 -15.410 3.219 4.717 1.00 0.00 C ATOM 140 NH1 ARG A 9 -14.395 4.034 4.976 1.00 0.00 N ATOM 141 NH2 ARG A 9 -16.543 3.714 4.236 1.00 0.00 N ATOM 0 H ARG A 9 -12.905 -0.766 2.704 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.048 -0.977 5.523 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.648 -0.959 4.095 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.527 -2.136 5.388 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.412 -0.151 6.370 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.751 -0.268 6.916 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.657 1.909 6.240 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.348 1.193 4.671 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.098 1.317 4.727 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.522 3.659 5.346 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.488 5.035 4.805 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -17.327 3.093 4.036 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.631 4.716 4.067 1.00 0.00 H new ATOM 155 N THR A 10 -11.253 -3.324 5.251 1.00 0.00 N ATOM 156 CA THR A 10 -10.822 -4.720 5.211 1.00 0.00 C ATOM 157 C THR A 10 -10.617 -5.287 6.620 1.00 0.00 C ATOM 158 O THR A 10 -10.372 -4.539 7.558 1.00 0.00 O ATOM 159 CB THR A 10 -9.544 -4.848 4.375 1.00 0.00 C ATOM 160 OG1 THR A 10 -9.744 -5.736 3.291 1.00 0.00 O ATOM 161 CG2 THR A 10 -8.347 -5.343 5.154 1.00 0.00 C ATOM 0 H THR A 10 -10.679 -2.727 5.847 1.00 0.00 H new ATOM 0 HA THR A 10 -11.610 -5.308 4.741 1.00 0.00 H new ATOM 0 HB THR A 10 -9.331 -3.836 4.032 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.895 -5.222 2.471 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.483 -5.406 4.492 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.131 -4.651 5.968 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.563 -6.329 5.565 1.00 0.00 H new ATOM 169 N GLU A 11 -10.695 -6.607 6.761 1.00 0.00 N ATOM 170 CA GLU A 11 -10.493 -7.247 8.063 1.00 0.00 C ATOM 171 C GLU A 11 -9.126 -7.943 8.145 1.00 0.00 C ATOM 172 O GLU A 11 -8.637 -8.482 7.153 1.00 0.00 O ATOM 173 CB GLU A 11 -11.610 -8.254 8.328 1.00 0.00 C ATOM 174 CG GLU A 11 -12.443 -7.912 9.549 1.00 0.00 C ATOM 175 CD GLU A 11 -13.932 -7.925 9.266 1.00 0.00 C ATOM 176 OE1 GLU A 11 -14.390 -7.095 8.454 1.00 0.00 O ATOM 177 OE2 GLU A 11 -14.640 -8.768 9.857 1.00 0.00 O ATOM 0 H GLU A 11 -10.895 -7.253 5.997 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.517 -6.469 8.826 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.260 -8.304 7.455 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.174 -9.245 8.459 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.223 -8.624 10.345 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.156 -6.926 9.915 1.00 0.00 H new ATOM 184 N SER A 12 -8.516 -7.928 9.338 1.00 0.00 N ATOM 185 CA SER A 12 -7.213 -8.560 9.551 1.00 0.00 C ATOM 186 C SER A 12 -6.152 -7.964 8.631 1.00 0.00 C ATOM 187 O SER A 12 -5.166 -8.616 8.287 1.00 0.00 O ATOM 188 CB SER A 12 -7.317 -10.069 9.340 1.00 0.00 C ATOM 189 OG SER A 12 -6.035 -10.671 9.299 1.00 0.00 O ATOM 0 H SER A 12 -8.907 -7.484 10.169 1.00 0.00 H new ATOM 0 HA SER A 12 -6.908 -8.368 10.580 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.904 -10.512 10.145 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.847 -10.273 8.410 1.00 0.00 H new ATOM 0 HG SER A 12 -5.531 -10.315 8.538 1.00 0.00 H new ATOM 195 N ALA A 13 -6.370 -6.718 8.242 1.00 0.00 N ATOM 196 CA ALA A 13 -5.446 -6.000 7.358 1.00 0.00 C ATOM 197 C ALA A 13 -3.997 -6.038 7.843 1.00 0.00 C ATOM 198 O ALA A 13 -3.087 -6.369 7.084 1.00 0.00 O ATOM 199 CB ALA A 13 -5.882 -4.556 7.220 1.00 0.00 C ATOM 0 H ALA A 13 -7.185 -6.173 8.524 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.481 -6.510 6.395 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.191 -4.029 6.562 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.886 -4.518 6.798 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.883 -4.081 8.201 1.00 0.00 H new ATOM 205 N ALA A 14 -3.788 -5.646 9.092 1.00 0.00 N ATOM 206 CA ALA A 14 -2.442 -5.574 9.678 1.00 0.00 C ATOM 207 C ALA A 14 -1.544 -6.762 9.312 1.00 0.00 C ATOM 208 O ALA A 14 -0.319 -6.633 9.315 1.00 0.00 O ATOM 209 CB ALA A 14 -2.550 -5.426 11.185 1.00 0.00 C ATOM 0 H ALA A 14 -4.535 -5.369 9.729 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.957 -4.697 9.249 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.551 -5.373 11.618 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.098 -4.514 11.423 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.079 -6.285 11.598 1.00 0.00 H new ATOM 215 N ARG A 15 -2.133 -7.911 9.001 1.00 0.00 N ATOM 216 CA ARG A 15 -1.345 -9.090 8.642 1.00 0.00 C ATOM 217 C ARG A 15 -0.878 -9.026 7.200 1.00 0.00 C ATOM 218 O ARG A 15 0.258 -9.386 6.889 1.00 0.00 O ATOM 219 CB ARG A 15 -2.160 -10.363 8.859 1.00 0.00 C ATOM 220 CG ARG A 15 -1.331 -11.599 9.173 1.00 0.00 C ATOM 221 CD ARG A 15 0.034 -11.601 8.484 1.00 0.00 C ATOM 222 NE ARG A 15 0.908 -12.638 9.033 1.00 0.00 N ATOM 223 CZ ARG A 15 0.691 -13.945 8.893 1.00 0.00 C ATOM 224 NH1 ARG A 15 -0.343 -14.383 8.185 1.00 0.00 N ATOM 225 NH2 ARG A 15 1.520 -14.817 9.452 1.00 0.00 N ATOM 0 H ARG A 15 -3.143 -8.054 8.989 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.467 -9.107 9.288 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.862 -10.195 9.676 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.753 -10.556 7.965 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.186 -11.667 10.251 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.885 -12.487 8.869 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.097 -11.763 7.414 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.505 -10.625 8.604 1.00 0.00 H new ATOM 0 HE ARG A 15 1.733 -12.342 9.554 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.978 -13.717 7.744 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.503 -15.385 8.082 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.322 -14.486 9.988 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.355 -15.818 9.346 1.00 0.00 H new ATOM 239 N TYR A 16 -1.747 -8.563 6.319 1.00 0.00 N ATOM 240 CA TYR A 16 -1.386 -8.458 4.914 1.00 0.00 C ATOM 241 C TYR A 16 -0.277 -7.426 4.741 1.00 0.00 C ATOM 242 O TYR A 16 0.489 -7.501 3.790 1.00 0.00 O ATOM 243 CB TYR A 16 -2.599 -8.114 4.039 1.00 0.00 C ATOM 244 CG TYR A 16 -3.762 -9.102 4.111 1.00 0.00 C ATOM 245 CD1 TYR A 16 -3.605 -10.427 4.542 1.00 0.00 C ATOM 246 CD2 TYR A 16 -5.040 -8.691 3.749 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.684 -11.289 4.601 1.00 0.00 C ATOM 248 CE2 TYR A 16 -6.119 -9.551 3.812 1.00 0.00 C ATOM 249 CZ TYR A 16 -5.936 -10.847 4.237 1.00 0.00 C ATOM 250 OH TYR A 16 -7.010 -11.704 4.300 1.00 0.00 O ATOM 0 H TYR A 16 -2.694 -8.258 6.545 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.021 -9.430 4.583 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -2.964 -7.128 4.326 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.269 -8.043 3.003 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.626 -10.779 4.832 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.192 -7.677 3.411 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.545 -12.308 4.932 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.103 -9.208 3.529 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.820 -11.235 4.010 1.00 0.00 H new ATOM 260 N VAL A 17 -0.169 -6.485 5.687 1.00 0.00 N ATOM 261 CA VAL A 17 0.890 -5.477 5.633 1.00 0.00 C ATOM 262 C VAL A 17 2.193 -6.081 6.136 1.00 0.00 C ATOM 263 O VAL A 17 3.253 -5.887 5.538 1.00 0.00 O ATOM 264 CB VAL A 17 0.549 -4.199 6.452 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.804 -3.464 6.927 1.00 0.00 C ATOM 266 CG2 VAL A 17 -0.289 -3.258 5.620 1.00 0.00 C ATOM 0 H VAL A 17 -0.795 -6.403 6.488 1.00 0.00 H new ATOM 0 HA VAL A 17 0.991 -5.169 4.592 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.007 -4.523 7.332 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.515 -2.579 7.494 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.394 -4.125 7.562 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.398 -3.164 6.064 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.522 -2.367 6.203 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.264 -2.972 4.725 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.215 -3.755 5.331 1.00 0.00 H new ATOM 276 N ASN A 18 2.109 -6.816 7.239 1.00 0.00 N ATOM 277 CA ASN A 18 3.285 -7.446 7.818 1.00 0.00 C ATOM 278 C ASN A 18 3.810 -8.574 6.933 1.00 0.00 C ATOM 279 O ASN A 18 5.005 -8.866 6.938 1.00 0.00 O ATOM 280 CB ASN A 18 2.965 -7.983 9.214 1.00 0.00 C ATOM 281 CG ASN A 18 2.351 -6.928 10.114 1.00 0.00 C ATOM 282 OD1 ASN A 18 2.580 -5.732 9.933 1.00 0.00 O ATOM 283 ND2 ASN A 18 1.565 -7.368 11.089 1.00 0.00 N ATOM 0 H ASN A 18 1.242 -6.989 7.747 1.00 0.00 H new ATOM 0 HA ASN A 18 4.064 -6.687 7.893 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.280 -8.826 9.127 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.879 -8.361 9.673 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.123 -6.705 11.726 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.403 -8.369 11.201 1.00 0.00 H new ATOM 290 N ARG A 19 2.917 -9.216 6.181 1.00 0.00 N ATOM 291 CA ARG A 19 3.311 -10.317 5.311 1.00 0.00 C ATOM 292 C ARG A 19 3.992 -9.828 4.033 1.00 0.00 C ATOM 293 O ARG A 19 4.672 -10.596 3.355 1.00 0.00 O ATOM 294 CB ARG A 19 2.091 -11.167 4.957 1.00 0.00 C ATOM 295 CG ARG A 19 2.365 -12.659 5.002 1.00 0.00 C ATOM 296 CD ARG A 19 1.550 -13.348 6.081 1.00 0.00 C ATOM 297 NE ARG A 19 1.554 -14.801 5.927 1.00 0.00 N ATOM 298 CZ ARG A 19 0.827 -15.452 5.021 1.00 0.00 C ATOM 299 NH1 ARG A 19 0.040 -14.783 4.187 1.00 0.00 N ATOM 300 NH2 ARG A 19 0.889 -16.774 4.949 1.00 0.00 N ATOM 0 H ARG A 19 1.922 -8.993 6.158 1.00 0.00 H new ATOM 0 HA ARG A 19 4.035 -10.921 5.858 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.281 -10.932 5.647 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.747 -10.898 3.958 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.133 -13.101 4.033 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.426 -12.829 5.184 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.951 -13.086 7.060 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.523 -12.983 6.048 1.00 0.00 H new ATOM 0 HE ARG A 19 2.148 -15.348 6.550 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.010 -13.766 4.238 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.515 -15.286 3.495 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.493 -17.292 5.587 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.333 -17.274 4.255 1.00 0.00 H new ATOM 314 N LEU A 20 3.797 -8.558 3.700 1.00 0.00 N ATOM 315 CA LEU A 20 4.386 -7.991 2.488 1.00 0.00 C ATOM 316 C LEU A 20 5.898 -7.841 2.597 1.00 0.00 C ATOM 317 O LEU A 20 6.629 -8.215 1.680 1.00 0.00 O ATOM 318 CB LEU A 20 3.764 -6.631 2.177 1.00 0.00 C ATOM 319 CG LEU A 20 2.259 -6.642 1.904 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.837 -5.324 1.273 1.00 0.00 C ATOM 321 CD2 LEU A 20 1.857 -7.812 1.003 1.00 0.00 C ATOM 0 H LEU A 20 3.239 -7.902 4.247 1.00 0.00 H new ATOM 0 HA LEU A 20 4.174 -8.689 1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.959 -5.962 3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.270 -6.210 1.308 1.00 0.00 H new ATOM 0 HG LEU A 20 1.746 -6.768 2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.764 -5.339 1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.073 -4.504 1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.371 -5.183 0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.781 -7.786 0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.378 -7.732 0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.125 -8.752 1.486 1.00 0.00 H new ATOM 333 N CYS A 21 6.372 -7.287 3.708 1.00 0.00 N ATOM 334 CA CYS A 21 7.807 -7.094 3.891 1.00 0.00 C ATOM 335 C CYS A 21 8.536 -8.424 3.769 1.00 0.00 C ATOM 336 O CYS A 21 9.660 -8.487 3.274 1.00 0.00 O ATOM 337 CB CYS A 21 8.111 -6.434 5.243 1.00 0.00 C ATOM 338 SG CYS A 21 7.000 -5.071 5.667 1.00 0.00 S ATOM 0 H CYS A 21 5.794 -6.968 4.485 1.00 0.00 H new ATOM 0 HA CYS A 21 8.162 -6.425 3.107 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.055 -7.191 6.025 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.136 -6.063 5.232 1.00 0.00 H new ATOM 0 HG CYS A 21 7.668 -3.956 5.684 1.00 0.00 H new ATOM 344 N LYS A 22 7.881 -9.490 4.204 1.00 0.00 N ATOM 345 CA LYS A 22 8.457 -10.821 4.120 1.00 0.00 C ATOM 346 C LYS A 22 8.208 -11.432 2.739 1.00 0.00 C ATOM 347 O LYS A 22 8.903 -12.360 2.325 1.00 0.00 O ATOM 348 CB LYS A 22 7.871 -11.718 5.210 1.00 0.00 C ATOM 349 CG LYS A 22 8.036 -11.155 6.615 1.00 0.00 C ATOM 350 CD LYS A 22 6.745 -11.260 7.411 1.00 0.00 C ATOM 351 CE LYS A 22 6.439 -12.699 7.788 1.00 0.00 C ATOM 352 NZ LYS A 22 7.294 -13.174 8.911 1.00 0.00 N ATOM 0 H LYS A 22 6.950 -9.458 4.619 1.00 0.00 H new ATOM 0 HA LYS A 22 9.534 -10.741 4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.810 -11.872 5.011 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.350 -12.696 5.161 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.829 -11.694 7.133 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.345 -10.111 6.556 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.823 -10.655 8.314 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.921 -10.853 6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.390 -12.785 8.070 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.590 -13.341 6.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.997 -14.130 9.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.288 -13.197 8.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.195 -12.528 9.720 1.00 0.00 H new ATOM 366 N HIS A 23 7.199 -10.911 2.036 1.00 0.00 N ATOM 367 CA HIS A 23 6.842 -11.403 0.711 1.00 0.00 C ATOM 368 C HIS A 23 7.674 -10.752 -0.391 1.00 0.00 C ATOM 369 O HIS A 23 8.366 -11.440 -1.142 1.00 0.00 O ATOM 370 CB HIS A 23 5.356 -11.165 0.442 1.00 0.00 C ATOM 371 CG HIS A 23 4.829 -11.934 -0.730 1.00 0.00 C ATOM 372 ND1 HIS A 23 5.331 -12.101 -1.977 1.00 0.00 N flip ATOM 373 CD2 HIS A 23 3.648 -12.644 -0.696 1.00 0.00 C flip ATOM 374 CE1 HIS A 23 4.453 -12.902 -2.664 1.00 0.00 C flip ATOM 375 NE2 HIS A 23 3.447 -13.216 -1.870 1.00 0.00 N flip ATOM 0 H HIS A 23 6.614 -10.144 2.368 1.00 0.00 H new ATOM 0 HA HIS A 23 7.054 -12.472 0.698 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.786 -11.437 1.331 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.192 -10.101 0.271 1.00 0.00 H new ATOM 0 HD2 HIS A 23 2.990 -12.721 0.157 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.567 -13.223 -3.689 1.00 0.00 H new ATOM 0 HE2 HIS A 23 2.650 -13.801 -2.120 1.00 0.00 H new ATOM 384 N TRP A 24 7.588 -9.425 -0.505 1.00 0.00 N ATOM 385 CA TRP A 24 8.324 -8.710 -1.545 1.00 0.00 C ATOM 386 C TRP A 24 9.725 -8.310 -1.082 1.00 0.00 C ATOM 387 O TRP A 24 10.558 -7.919 -1.898 1.00 0.00 O ATOM 388 CB TRP A 24 7.551 -7.468 -1.997 1.00 0.00 C ATOM 389 CG TRP A 24 8.243 -6.706 -3.086 1.00 0.00 C ATOM 390 CD1 TRP A 24 8.789 -5.458 -2.993 1.00 0.00 C ATOM 391 CD2 TRP A 24 8.465 -7.144 -4.431 1.00 0.00 C ATOM 392 NE1 TRP A 24 9.338 -5.093 -4.198 1.00 0.00 N ATOM 393 CE2 TRP A 24 9.151 -6.111 -5.097 1.00 0.00 C ATOM 394 CE3 TRP A 24 8.151 -8.309 -5.136 1.00 0.00 C ATOM 395 CZ2 TRP A 24 9.529 -6.209 -6.435 1.00 0.00 C ATOM 396 CZ3 TRP A 24 8.527 -8.405 -6.464 1.00 0.00 C ATOM 397 CH2 TRP A 24 9.209 -7.361 -7.100 1.00 0.00 C ATOM 0 H TRP A 24 7.023 -8.832 0.103 1.00 0.00 H new ATOM 0 HA TRP A 24 8.432 -9.393 -2.387 1.00 0.00 H new ATOM 0 HB2 TRP A 24 6.563 -7.770 -2.345 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.401 -6.810 -1.141 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.789 -4.847 -2.102 1.00 0.00 H new ATOM 0 HE1 TRP A 24 9.808 -4.209 -4.392 1.00 0.00 H new ATOM 0 HE3 TRP A 24 7.625 -9.119 -4.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.055 -5.405 -6.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 8.290 -9.301 -7.019 1.00 0.00 H new ATOM 0 HH2 TRP A 24 9.489 -7.467 -8.138 1.00 0.00 H new ATOM 408 N GLY A 25 9.989 -8.401 0.224 1.00 0.00 N ATOM 409 CA GLY A 25 11.298 -8.034 0.731 1.00 0.00 C ATOM 410 C GLY A 25 12.384 -8.997 0.299 1.00 0.00 C ATOM 411 O GLY A 25 12.990 -9.673 1.131 1.00 0.00 O ATOM 0 H GLY A 25 9.325 -8.719 0.930 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.549 -7.031 0.385 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.264 -7.996 1.820 1.00 0.00 H new ATOM 415 N HIS A 26 12.632 -9.059 -1.002 1.00 0.00 N ATOM 416 CA HIS A 26 13.655 -9.942 -1.542 1.00 0.00 C ATOM 417 C HIS A 26 14.804 -9.137 -2.140 1.00 0.00 C ATOM 418 O HIS A 26 15.937 -9.611 -2.201 1.00 0.00 O ATOM 419 CB HIS A 26 13.051 -10.867 -2.602 1.00 0.00 C ATOM 420 CG HIS A 26 13.319 -12.318 -2.350 1.00 0.00 C ATOM 421 ND1 HIS A 26 13.114 -12.920 -1.126 1.00 0.00 N ATOM 422 CD2 HIS A 26 13.780 -13.291 -3.172 1.00 0.00 C ATOM 423 CE1 HIS A 26 13.437 -14.198 -1.206 1.00 0.00 C ATOM 424 NE2 HIS A 26 13.843 -14.449 -2.437 1.00 0.00 N ATOM 0 H HIS A 26 12.138 -8.507 -1.703 1.00 0.00 H new ATOM 0 HA HIS A 26 14.048 -10.549 -0.726 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.974 -10.706 -2.642 1.00 0.00 H new ATOM 0 HB3 HIS A 26 13.450 -10.596 -3.579 1.00 0.00 H new ATOM 0 HD2 HIS A 26 14.048 -13.177 -4.212 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.379 -14.916 -0.401 1.00 0.00 H new ATOM 0 HE2 HIS A 26 14.153 -15.356 -2.785 1.00 0.00 H new ATOM 433 N LYS A 27 14.505 -7.919 -2.585 1.00 0.00 N ATOM 434 CA LYS A 27 15.521 -7.061 -3.181 1.00 0.00 C ATOM 435 C LYS A 27 15.169 -5.587 -2.973 1.00 0.00 C ATOM 436 O LYS A 27 15.650 -4.715 -3.688 1.00 0.00 O ATOM 437 CB LYS A 27 15.652 -7.400 -4.673 1.00 0.00 C ATOM 438 CG LYS A 27 16.506 -6.429 -5.480 1.00 0.00 C ATOM 439 CD LYS A 27 15.642 -5.559 -6.379 1.00 0.00 C ATOM 440 CE LYS A 27 16.024 -4.090 -6.291 1.00 0.00 C ATOM 441 NZ LYS A 27 17.490 -3.897 -6.104 1.00 0.00 N ATOM 0 H LYS A 27 13.573 -7.507 -2.544 1.00 0.00 H new ATOM 0 HA LYS A 27 16.481 -7.237 -2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.077 -8.399 -4.767 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.655 -7.435 -5.112 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.083 -5.798 -4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.222 -6.985 -6.085 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.738 -5.897 -7.411 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.595 -5.678 -6.101 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.706 -3.579 -7.200 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.490 -3.627 -5.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.780 -2.997 -6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.711 -3.879 -5.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.004 -4.680 -6.556 1.00 0.00 H new ATOM 455 N PHE A 28 14.326 -5.308 -1.980 1.00 0.00 N ATOM 456 CA PHE A 28 13.930 -3.933 -1.701 1.00 0.00 C ATOM 457 C PHE A 28 13.858 -3.664 -0.205 1.00 0.00 C ATOM 458 O PHE A 28 13.837 -4.591 0.605 1.00 0.00 O ATOM 459 CB PHE A 28 12.591 -3.627 -2.366 1.00 0.00 C ATOM 460 CG PHE A 28 12.690 -3.544 -3.861 1.00 0.00 C ATOM 461 CD1 PHE A 28 13.177 -2.401 -4.472 1.00 0.00 C ATOM 462 CD2 PHE A 28 12.306 -4.613 -4.655 1.00 0.00 C ATOM 463 CE1 PHE A 28 13.277 -2.323 -5.848 1.00 0.00 C ATOM 464 CE2 PHE A 28 12.404 -4.541 -6.031 1.00 0.00 C ATOM 465 CZ PHE A 28 12.890 -3.395 -6.628 1.00 0.00 C ATOM 0 H PHE A 28 13.910 -6.007 -1.364 1.00 0.00 H new ATOM 0 HA PHE A 28 14.692 -3.273 -2.116 1.00 0.00 H new ATOM 0 HB2 PHE A 28 11.871 -4.400 -2.096 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.205 -2.684 -1.979 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.482 -1.561 -3.866 1.00 0.00 H new ATOM 0 HD2 PHE A 28 11.926 -5.512 -4.193 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.657 -1.425 -6.313 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.101 -5.380 -6.639 1.00 0.00 H new ATOM 0 HZ PHE A 28 12.967 -3.337 -7.704 1.00 0.00 H new ATOM 475 N GLU A 29 13.827 -2.385 0.154 1.00 0.00 N ATOM 476 CA GLU A 29 13.765 -1.993 1.557 1.00 0.00 C ATOM 477 C GLU A 29 12.331 -2.031 2.070 1.00 0.00 C ATOM 478 O GLU A 29 11.548 -1.111 1.836 1.00 0.00 O ATOM 479 CB GLU A 29 14.368 -0.598 1.760 1.00 0.00 C ATOM 480 CG GLU A 29 13.784 0.472 0.849 1.00 0.00 C ATOM 481 CD GLU A 29 14.135 1.875 1.304 1.00 0.00 C ATOM 482 OE1 GLU A 29 13.440 2.400 2.200 1.00 0.00 O ATOM 483 OE2 GLU A 29 15.104 2.450 0.765 1.00 0.00 O ATOM 0 H GLU A 29 13.844 -1.606 -0.504 1.00 0.00 H new ATOM 0 HA GLU A 29 14.353 -2.710 2.131 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.219 -0.297 2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.444 -0.652 1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.151 0.320 -0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.700 0.365 0.816 1.00 0.00 H new ATOM 490 N VAL A 30 11.991 -3.107 2.770 1.00 0.00 N ATOM 491 CA VAL A 30 10.648 -3.267 3.314 1.00 0.00 C ATOM 492 C VAL A 30 10.661 -3.243 4.839 1.00 0.00 C ATOM 493 O VAL A 30 11.168 -4.163 5.479 1.00 0.00 O ATOM 494 CB VAL A 30 9.989 -4.586 2.846 1.00 0.00 C ATOM 495 CG1 VAL A 30 9.146 -4.372 1.598 1.00 0.00 C ATOM 496 CG2 VAL A 30 11.034 -5.662 2.601 1.00 0.00 C ATOM 0 H VAL A 30 12.625 -3.880 2.974 1.00 0.00 H new ATOM 0 HA VAL A 30 10.065 -2.426 2.939 1.00 0.00 H new ATOM 0 HB VAL A 30 9.330 -4.922 3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.697 -5.318 1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.359 -3.648 1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.777 -3.996 0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.543 -6.578 2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.728 -5.326 1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.582 -5.854 3.524 1.00 0.00 H new ATOM 506 N GLU A 31 10.086 -2.191 5.418 1.00 0.00 N ATOM 507 CA GLU A 31 10.021 -2.062 6.867 1.00 0.00 C ATOM 508 C GLU A 31 8.709 -2.639 7.385 1.00 0.00 C ATOM 509 O GLU A 31 7.659 -2.469 6.766 1.00 0.00 O ATOM 510 CB GLU A 31 10.158 -0.593 7.280 1.00 0.00 C ATOM 511 CG GLU A 31 11.400 -0.308 8.108 1.00 0.00 C ATOM 512 CD GLU A 31 11.996 1.054 7.814 1.00 0.00 C ATOM 513 OE1 GLU A 31 12.324 1.317 6.638 1.00 0.00 O ATOM 514 OE2 GLU A 31 12.136 1.858 8.760 1.00 0.00 O ATOM 0 H GLU A 31 9.660 -1.419 4.905 1.00 0.00 H new ATOM 0 HA GLU A 31 10.848 -2.621 7.306 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.178 0.027 6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.276 -0.301 7.850 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.148 -0.370 9.167 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.147 -1.077 7.913 1.00 0.00 H new ATOM 521 N LEU A 32 8.773 -3.324 8.521 1.00 0.00 N ATOM 522 CA LEU A 32 7.578 -3.931 9.110 1.00 0.00 C ATOM 523 C LEU A 32 7.331 -3.405 10.516 1.00 0.00 C ATOM 524 O LEU A 32 8.039 -3.754 11.460 1.00 0.00 O ATOM 525 CB LEU A 32 7.704 -5.467 9.133 1.00 0.00 C ATOM 526 CG LEU A 32 6.405 -6.265 9.361 1.00 0.00 C ATOM 527 CD1 LEU A 32 6.733 -7.685 9.808 1.00 0.00 C ATOM 528 CD2 LEU A 32 5.503 -5.591 10.390 1.00 0.00 C ATOM 0 H LEU A 32 9.631 -3.474 9.052 1.00 0.00 H new ATOM 0 HA LEU A 32 6.726 -3.657 8.488 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.138 -5.787 8.186 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.412 -5.739 9.916 1.00 0.00 H new ATOM 0 HG LEU A 32 5.866 -6.297 8.414 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.808 -8.239 9.966 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.326 -8.180 9.039 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.300 -7.652 10.739 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.598 -6.183 10.523 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.030 -5.514 11.341 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.236 -4.593 10.042 1.00 0.00 H new ATOM 540 N THR A 33 6.295 -2.586 10.647 1.00 0.00 N ATOM 541 CA THR A 33 5.911 -2.030 11.937 1.00 0.00 C ATOM 542 C THR A 33 4.440 -2.330 12.177 1.00 0.00 C ATOM 543 O THR A 33 3.717 -2.678 11.244 1.00 0.00 O ATOM 544 CB THR A 33 6.154 -0.519 11.964 1.00 0.00 C ATOM 545 OG1 THR A 33 5.996 0.037 10.671 1.00 0.00 O ATOM 546 CG2 THR A 33 7.533 -0.144 12.462 1.00 0.00 C ATOM 0 H THR A 33 5.703 -2.291 9.870 1.00 0.00 H new ATOM 0 HA THR A 33 6.515 -2.482 12.724 1.00 0.00 H new ATOM 0 HB THR A 33 5.415 -0.119 12.658 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.154 1.004 10.709 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.639 0.941 12.456 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.667 -0.516 13.478 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.287 -0.586 11.811 1.00 0.00 H new ATOM 554 N PRO A 34 3.962 -2.200 13.417 1.00 0.00 N ATOM 555 CA PRO A 34 2.563 -2.463 13.733 1.00 0.00 C ATOM 556 C PRO A 34 1.668 -1.313 13.306 1.00 0.00 C ATOM 557 O PRO A 34 0.884 -0.791 14.098 1.00 0.00 O ATOM 558 CB PRO A 34 2.570 -2.613 15.245 1.00 0.00 C ATOM 559 CG PRO A 34 3.713 -1.776 15.710 1.00 0.00 C ATOM 560 CD PRO A 34 4.733 -1.783 14.599 1.00 0.00 C ATOM 0 HA PRO A 34 2.172 -3.338 13.214 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.630 -2.274 15.680 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.699 -3.655 15.538 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.385 -0.760 15.928 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.139 -2.178 16.629 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.179 -0.798 14.459 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.549 -2.475 14.809 1.00 0.00 H new ATOM 568 N GLU A 35 1.805 -0.924 12.047 1.00 0.00 N ATOM 569 CA GLU A 35 1.026 0.173 11.496 1.00 0.00 C ATOM 570 C GLU A 35 0.997 0.140 9.967 1.00 0.00 C ATOM 571 O GLU A 35 -0.037 0.426 9.363 1.00 0.00 O ATOM 572 CB GLU A 35 1.598 1.514 11.975 1.00 0.00 C ATOM 573 CG GLU A 35 1.496 1.717 13.477 1.00 0.00 C ATOM 574 CD GLU A 35 1.701 3.163 13.885 1.00 0.00 C ATOM 575 OE1 GLU A 35 2.320 3.918 13.106 1.00 0.00 O ATOM 576 OE2 GLU A 35 1.242 3.540 14.984 1.00 0.00 O ATOM 0 H GLU A 35 2.452 -1.354 11.386 1.00 0.00 H new ATOM 0 HA GLU A 35 0.002 0.060 11.851 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.645 1.580 11.678 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.072 2.325 11.471 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.517 1.382 13.820 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.239 1.094 13.975 1.00 0.00 H new ATOM 583 N ARG A 36 2.127 -0.192 9.334 1.00 0.00 N ATOM 584 CA ARG A 36 2.176 -0.230 7.878 1.00 0.00 C ATOM 585 C ARG A 36 3.460 -0.851 7.345 1.00 0.00 C ATOM 586 O ARG A 36 4.428 -1.058 8.075 1.00 0.00 O ATOM 587 CB ARG A 36 2.035 1.183 7.309 1.00 0.00 C ATOM 588 CG ARG A 36 3.055 2.161 7.873 1.00 0.00 C ATOM 589 CD ARG A 36 2.592 3.602 7.733 1.00 0.00 C ATOM 590 NE ARG A 36 3.712 4.538 7.733 1.00 0.00 N ATOM 591 CZ ARG A 36 3.583 5.849 7.931 1.00 0.00 C ATOM 592 NH1 ARG A 36 2.386 6.380 8.145 1.00 0.00 N ATOM 593 NH2 ARG A 36 4.655 6.629 7.917 1.00 0.00 N ATOM 0 H ARG A 36 3.002 -0.433 9.800 1.00 0.00 H new ATOM 0 HA ARG A 36 1.345 -0.858 7.557 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.140 1.143 6.225 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.032 1.554 7.518 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.231 1.936 8.925 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.006 2.033 7.356 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.027 3.713 6.808 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.915 3.847 8.552 1.00 0.00 H new ATOM 0 HE ARG A 36 4.648 4.167 7.572 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.559 5.784 8.159 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.293 7.384 8.296 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.577 6.225 7.755 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.557 7.633 8.068 1.00 0.00 H new ATOM 607 N GLY A 37 3.449 -1.107 6.039 1.00 0.00 N ATOM 608 CA GLY A 37 4.604 -1.664 5.364 1.00 0.00 C ATOM 609 C GLY A 37 5.258 -0.615 4.463 1.00 0.00 C ATOM 610 O GLY A 37 4.604 -0.084 3.565 1.00 0.00 O ATOM 0 H GLY A 37 2.648 -0.935 5.431 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.325 -2.020 6.100 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.303 -2.526 4.769 1.00 0.00 H new ATOM 614 N PHE A 38 6.531 -0.297 4.700 1.00 0.00 N ATOM 615 CA PHE A 38 7.240 0.707 3.907 1.00 0.00 C ATOM 616 C PHE A 38 8.108 0.025 2.862 1.00 0.00 C ATOM 617 O PHE A 38 9.059 -0.675 3.198 1.00 0.00 O ATOM 618 CB PHE A 38 8.087 1.561 4.858 1.00 0.00 C ATOM 619 CG PHE A 38 8.858 2.686 4.218 1.00 0.00 C ATOM 620 CD1 PHE A 38 8.201 3.748 3.614 1.00 0.00 C ATOM 621 CD2 PHE A 38 10.246 2.701 4.259 1.00 0.00 C ATOM 622 CE1 PHE A 38 8.912 4.797 3.063 1.00 0.00 C ATOM 623 CE2 PHE A 38 10.960 3.746 3.705 1.00 0.00 C ATOM 624 CZ PHE A 38 10.292 4.796 3.107 1.00 0.00 C ATOM 0 H PHE A 38 7.094 -0.722 5.437 1.00 0.00 H new ATOM 0 HA PHE A 38 6.532 1.348 3.381 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.431 1.983 5.619 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.793 0.908 5.371 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.122 3.755 3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.774 1.885 4.730 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.388 5.618 2.597 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.039 3.742 3.740 1.00 0.00 H new ATOM 0 HZ PHE A 38 10.848 5.615 2.675 1.00 0.00 H new ATOM 634 N ILE A 39 7.774 0.231 1.592 1.00 0.00 N ATOM 635 CA ILE A 39 8.535 -0.381 0.500 1.00 0.00 C ATOM 636 C ILE A 39 9.009 0.687 -0.485 1.00 0.00 C ATOM 637 O ILE A 39 8.201 1.262 -1.214 1.00 0.00 O ATOM 638 CB ILE A 39 7.710 -1.440 -0.281 1.00 0.00 C ATOM 639 CG1 ILE A 39 6.847 -2.292 0.672 1.00 0.00 C ATOM 640 CG2 ILE A 39 8.642 -2.328 -1.108 1.00 0.00 C ATOM 641 CD1 ILE A 39 6.444 -3.643 0.108 1.00 0.00 C ATOM 0 H ILE A 39 6.990 0.810 1.292 1.00 0.00 H new ATOM 0 HA ILE A 39 9.386 -0.881 0.962 1.00 0.00 H new ATOM 0 HB ILE A 39 7.034 -0.915 -0.956 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.397 -2.448 1.600 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.946 -1.733 0.925 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.053 -3.067 -1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.196 -1.713 -1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.342 -2.838 -0.445 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.840 -4.178 0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.865 -3.498 -0.804 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.338 -4.224 -0.118 1.00 0.00 H new ATOM 653 N ASP A 40 10.316 0.952 -0.515 1.00 0.00 N ATOM 654 CA ASP A 40 10.857 1.952 -1.430 1.00 0.00 C ATOM 655 C ASP A 40 11.587 1.281 -2.586 1.00 0.00 C ATOM 656 O ASP A 40 12.422 0.401 -2.385 1.00 0.00 O ATOM 657 CB ASP A 40 11.781 2.950 -0.698 1.00 0.00 C ATOM 658 CG ASP A 40 13.137 3.123 -1.363 1.00 0.00 C ATOM 659 OD1 ASP A 40 13.905 2.141 -1.412 1.00 0.00 O ATOM 660 OD2 ASP A 40 13.428 4.243 -1.834 1.00 0.00 O ATOM 0 H ASP A 40 11.010 0.494 0.076 1.00 0.00 H new ATOM 0 HA ASP A 40 10.020 2.520 -1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.285 3.919 -0.645 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.929 2.611 0.327 1.00 0.00 H new ATOM 665 N PHE A 41 11.265 1.718 -3.793 1.00 0.00 N ATOM 666 CA PHE A 41 11.887 1.177 -4.996 1.00 0.00 C ATOM 667 C PHE A 41 13.009 2.098 -5.479 1.00 0.00 C ATOM 668 O PHE A 41 13.557 1.909 -6.564 1.00 0.00 O ATOM 669 CB PHE A 41 10.840 1.019 -6.105 1.00 0.00 C ATOM 670 CG PHE A 41 10.152 -0.318 -6.121 1.00 0.00 C ATOM 671 CD1 PHE A 41 8.987 -0.526 -5.396 1.00 0.00 C ATOM 672 CD2 PHE A 41 10.665 -1.366 -6.868 1.00 0.00 C ATOM 673 CE1 PHE A 41 8.350 -1.752 -5.418 1.00 0.00 C ATOM 674 CE2 PHE A 41 10.032 -2.595 -6.892 1.00 0.00 C ATOM 675 CZ PHE A 41 8.873 -2.788 -6.166 1.00 0.00 C ATOM 0 H PHE A 41 10.575 2.448 -3.968 1.00 0.00 H new ATOM 0 HA PHE A 41 12.309 0.201 -4.756 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.088 1.800 -5.992 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.323 1.178 -7.069 1.00 0.00 H new ATOM 0 HD1 PHE A 41 8.573 0.280 -4.808 1.00 0.00 H new ATOM 0 HD2 PHE A 41 11.570 -1.221 -7.439 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.443 -1.900 -4.850 1.00 0.00 H new ATOM 0 HE2 PHE A 41 10.444 -3.403 -7.478 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.377 -3.747 -6.183 1.00 0.00 H new ATOM 685 N GLY A 42 13.334 3.102 -4.667 1.00 0.00 N ATOM 686 CA GLY A 42 14.374 4.050 -5.020 1.00 0.00 C ATOM 687 C GLY A 42 13.859 5.476 -4.996 1.00 0.00 C ATOM 688 O GLY A 42 13.594 6.025 -3.927 1.00 0.00 O ATOM 0 H GLY A 42 12.891 3.275 -3.765 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.208 3.952 -4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.758 3.817 -6.013 1.00 0.00 H new ATOM 692 N ASP A 43 13.686 6.069 -6.173 1.00 0.00 N ATOM 693 CA ASP A 43 13.164 7.429 -6.271 1.00 0.00 C ATOM 694 C ASP A 43 11.638 7.383 -6.270 1.00 0.00 C ATOM 695 O ASP A 43 10.978 7.918 -7.161 1.00 0.00 O ATOM 696 CB ASP A 43 13.680 8.112 -7.542 1.00 0.00 C ATOM 697 CG ASP A 43 14.630 9.255 -7.237 1.00 0.00 C ATOM 698 OD1 ASP A 43 15.211 9.264 -6.132 1.00 0.00 O ATOM 699 OD2 ASP A 43 14.792 10.139 -8.104 1.00 0.00 O ATOM 0 H ASP A 43 13.899 5.632 -7.070 1.00 0.00 H new ATOM 0 HA ASP A 43 13.507 8.009 -5.414 1.00 0.00 H new ATOM 0 HB2 ASP A 43 14.188 7.377 -8.166 1.00 0.00 H new ATOM 0 HB3 ASP A 43 12.835 8.489 -8.118 1.00 0.00 H new ATOM 704 N SER A 44 11.094 6.704 -5.264 1.00 0.00 N ATOM 705 CA SER A 44 9.653 6.526 -5.117 1.00 0.00 C ATOM 706 C SER A 44 9.389 5.555 -3.960 1.00 0.00 C ATOM 707 O SER A 44 10.313 4.871 -3.519 1.00 0.00 O ATOM 708 CB SER A 44 9.062 6.002 -6.434 1.00 0.00 C ATOM 709 OG SER A 44 10.072 5.461 -7.268 1.00 0.00 O ATOM 0 H SER A 44 11.641 6.261 -4.526 1.00 0.00 H new ATOM 0 HA SER A 44 9.173 7.478 -4.890 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.314 5.238 -6.222 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.552 6.812 -6.955 1.00 0.00 H new ATOM 0 HG SER A 44 9.669 5.134 -8.099 1.00 0.00 H new ATOM 715 N ASN A 45 8.156 5.493 -3.444 1.00 0.00 N ATOM 716 CA ASN A 45 7.870 4.599 -2.324 1.00 0.00 C ATOM 717 C ASN A 45 6.406 4.179 -2.313 1.00 0.00 C ATOM 718 O ASN A 45 5.589 4.719 -3.058 1.00 0.00 O ATOM 719 CB ASN A 45 8.219 5.276 -0.987 1.00 0.00 C ATOM 720 CG ASN A 45 9.289 6.346 -1.117 1.00 0.00 C ATOM 721 OD1 ASN A 45 9.150 7.292 -1.892 1.00 0.00 O ATOM 722 ND2 ASN A 45 10.366 6.200 -0.354 1.00 0.00 N ATOM 0 H ASN A 45 7.360 6.038 -3.776 1.00 0.00 H new ATOM 0 HA ASN A 45 8.487 3.710 -2.450 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.317 5.723 -0.568 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.557 4.518 -0.281 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.118 6.887 -0.397 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.441 5.401 0.275 1.00 0.00 H new ATOM 729 N CYS A 46 6.078 3.213 -1.458 1.00 0.00 N ATOM 730 CA CYS A 46 4.710 2.729 -1.351 1.00 0.00 C ATOM 731 C CYS A 46 4.439 2.175 0.043 1.00 0.00 C ATOM 732 O CYS A 46 4.853 1.065 0.376 1.00 0.00 O ATOM 733 CB CYS A 46 4.451 1.654 -2.403 1.00 0.00 C ATOM 734 SG CYS A 46 2.701 1.351 -2.735 1.00 0.00 S ATOM 0 H CYS A 46 6.740 2.754 -0.833 1.00 0.00 H new ATOM 0 HA CYS A 46 4.035 3.567 -1.524 1.00 0.00 H new ATOM 0 HB2 CYS A 46 4.941 1.945 -3.332 1.00 0.00 H new ATOM 0 HB3 CYS A 46 4.914 0.723 -2.077 1.00 0.00 H new ATOM 0 HG CYS A 46 2.585 0.426 -3.641 1.00 0.00 H new ATOM 740 N GLU A 47 3.743 2.961 0.854 1.00 0.00 N ATOM 741 CA GLU A 47 3.410 2.567 2.216 1.00 0.00 C ATOM 742 C GLU A 47 2.004 1.971 2.260 1.00 0.00 C ATOM 743 O GLU A 47 1.170 2.277 1.408 1.00 0.00 O ATOM 744 CB GLU A 47 3.519 3.790 3.136 1.00 0.00 C ATOM 745 CG GLU A 47 3.993 3.501 4.558 1.00 0.00 C ATOM 746 CD GLU A 47 4.811 4.641 5.132 1.00 0.00 C ATOM 747 OE1 GLU A 47 4.508 5.809 4.812 1.00 0.00 O ATOM 748 OE2 GLU A 47 5.756 4.365 5.902 1.00 0.00 O ATOM 0 H GLU A 47 3.396 3.883 0.589 1.00 0.00 H new ATOM 0 HA GLU A 47 4.108 1.805 2.561 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.204 4.505 2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.543 4.272 3.188 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.129 3.318 5.197 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.591 2.589 4.562 1.00 0.00 H new ATOM 755 N LEU A 48 1.745 1.115 3.243 1.00 0.00 N ATOM 756 CA LEU A 48 0.430 0.482 3.364 1.00 0.00 C ATOM 757 C LEU A 48 0.012 0.370 4.826 1.00 0.00 C ATOM 758 O LEU A 48 0.624 -0.363 5.599 1.00 0.00 O ATOM 759 CB LEU A 48 0.435 -0.907 2.691 1.00 0.00 C ATOM 760 CG LEU A 48 -0.878 -1.702 2.774 1.00 0.00 C ATOM 761 CD1 LEU A 48 -2.082 -0.810 2.504 1.00 0.00 C ATOM 762 CD2 LEU A 48 -0.859 -2.873 1.800 1.00 0.00 C ATOM 0 H LEU A 48 2.417 0.844 3.961 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.299 1.111 2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.692 -0.778 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.227 -1.504 3.142 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.966 -2.091 3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.995 -1.402 2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.114 -0.009 3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.000 -0.380 1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.797 -3.423 1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.737 -2.499 0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.029 -3.536 2.044 1.00 0.00 H new ATOM 774 N LEU A 49 -1.048 1.090 5.191 1.00 0.00 N ATOM 775 CA LEU A 49 -1.559 1.056 6.564 1.00 0.00 C ATOM 776 C LEU A 49 -2.580 -0.054 6.687 1.00 0.00 C ATOM 777 O LEU A 49 -3.453 -0.191 5.834 1.00 0.00 O ATOM 778 CB LEU A 49 -2.189 2.392 6.963 1.00 0.00 C ATOM 779 CG LEU A 49 -2.324 2.615 8.475 1.00 0.00 C ATOM 780 CD1 LEU A 49 -1.331 3.661 8.955 1.00 0.00 C ATOM 781 CD2 LEU A 49 -3.747 3.028 8.826 1.00 0.00 C ATOM 0 H LEU A 49 -1.568 1.701 4.561 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.723 0.871 7.238 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.590 3.200 6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.178 2.461 6.510 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.101 1.676 8.982 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.444 3.804 10.030 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.317 3.326 8.738 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.520 4.604 8.442 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.826 3.182 9.902 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.996 3.954 8.307 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.439 2.244 8.520 1.00 0.00 H new ATOM 793 N ALA A 50 -2.458 -0.868 7.724 1.00 0.00 N ATOM 794 CA ALA A 50 -3.377 -1.980 7.892 1.00 0.00 C ATOM 795 C ALA A 50 -3.720 -2.261 9.346 1.00 0.00 C ATOM 796 O ALA A 50 -2.876 -2.697 10.129 1.00 0.00 O ATOM 797 CB ALA A 50 -2.796 -3.212 7.229 1.00 0.00 C ATOM 0 H ALA A 50 -1.746 -0.782 8.449 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.316 -1.704 7.413 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.482 -4.050 7.353 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.648 -3.018 6.167 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.839 -3.456 7.690 1.00 0.00 H new ATOM 803 N HIS A 51 -4.986 -2.039 9.683 1.00 0.00 N ATOM 804 CA HIS A 51 -5.490 -2.293 11.009 1.00 0.00 C ATOM 805 C HIS A 51 -6.483 -3.460 10.944 1.00 0.00 C ATOM 806 O HIS A 51 -6.931 -3.844 9.865 1.00 0.00 O ATOM 807 CB HIS A 51 -6.136 -1.024 11.593 1.00 0.00 C ATOM 808 CG HIS A 51 -5.758 -0.763 13.021 1.00 0.00 C ATOM 809 ND1 HIS A 51 -6.647 -0.283 13.959 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.578 -0.926 13.674 1.00 0.00 C ATOM 811 CE1 HIS A 51 -6.033 -0.157 15.122 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.780 -0.541 14.976 1.00 0.00 N ATOM 0 H HIS A 51 -5.686 -1.677 9.035 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.671 -2.567 11.674 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.846 -0.166 10.986 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.220 -1.112 11.523 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.654 -1.290 13.249 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.481 0.200 16.037 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.074 -0.550 15.712 1.00 0.00 H new ATOM 821 N PRO A 52 -6.817 -4.055 12.090 1.00 0.00 N ATOM 822 CA PRO A 52 -7.729 -5.204 12.173 1.00 0.00 C ATOM 823 C PRO A 52 -9.007 -5.063 11.346 1.00 0.00 C ATOM 824 O PRO A 52 -9.662 -6.065 11.055 1.00 0.00 O ATOM 825 CB PRO A 52 -8.055 -5.272 13.662 1.00 0.00 C ATOM 826 CG PRO A 52 -6.832 -4.743 14.320 1.00 0.00 C ATOM 827 CD PRO A 52 -6.310 -3.666 13.407 1.00 0.00 C ATOM 0 HA PRO A 52 -7.265 -6.101 11.764 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.932 -4.672 13.907 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.269 -6.293 13.978 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.061 -4.342 15.307 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.091 -5.530 14.460 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.672 -2.681 13.701 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.221 -3.622 13.420 1.00 0.00 H new ATOM 835 N ASP A 53 -9.384 -3.840 10.975 1.00 0.00 N ATOM 836 CA ASP A 53 -10.607 -3.658 10.198 1.00 0.00 C ATOM 837 C ASP A 53 -10.500 -2.573 9.128 1.00 0.00 C ATOM 838 O ASP A 53 -11.464 -2.341 8.398 1.00 0.00 O ATOM 839 CB ASP A 53 -11.784 -3.356 11.127 1.00 0.00 C ATOM 840 CG ASP A 53 -13.115 -3.756 10.521 1.00 0.00 C ATOM 841 OD1 ASP A 53 -13.292 -4.953 10.214 1.00 0.00 O ATOM 842 OD2 ASP A 53 -13.981 -2.871 10.354 1.00 0.00 O ATOM 0 H ASP A 53 -8.876 -2.983 11.193 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.773 -4.598 9.671 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.644 -3.884 12.070 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.798 -2.291 11.357 1.00 0.00 H new ATOM 847 N HIS A 54 -9.346 -1.928 8.994 1.00 0.00 N ATOM 848 CA HIS A 54 -9.204 -0.914 7.952 1.00 0.00 C ATOM 849 C HIS A 54 -7.799 -0.913 7.354 1.00 0.00 C ATOM 850 O HIS A 54 -6.845 -1.360 7.992 1.00 0.00 O ATOM 851 CB HIS A 54 -9.573 0.481 8.464 1.00 0.00 C ATOM 852 CG HIS A 54 -8.775 0.937 9.645 1.00 0.00 C ATOM 853 ND1 HIS A 54 -9.208 0.799 10.946 1.00 0.00 N ATOM 854 CD2 HIS A 54 -7.572 1.555 9.713 1.00 0.00 C ATOM 855 CE1 HIS A 54 -8.307 1.312 11.764 1.00 0.00 C ATOM 856 NE2 HIS A 54 -7.305 1.776 11.041 1.00 0.00 N ATOM 0 H HIS A 54 -8.520 -2.080 9.572 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.906 -1.177 7.161 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.443 1.198 7.654 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.630 0.489 8.730 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -6.941 1.824 8.879 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -8.378 1.346 12.841 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -6.467 2.226 11.410 1.00 0.00 H new ATOM 865 N VAL A 55 -7.677 -0.414 6.121 1.00 0.00 N ATOM 866 CA VAL A 55 -6.394 -0.366 5.444 1.00 0.00 C ATOM 867 C VAL A 55 -6.241 0.943 4.674 1.00 0.00 C ATOM 868 O VAL A 55 -7.179 1.412 4.031 1.00 0.00 O ATOM 869 CB VAL A 55 -6.224 -1.573 4.488 1.00 0.00 C ATOM 870 CG1 VAL A 55 -6.771 -1.275 3.096 1.00 0.00 C ATOM 871 CG2 VAL A 55 -4.769 -2.006 4.412 1.00 0.00 C ATOM 0 H VAL A 55 -8.455 -0.040 5.578 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.613 -0.419 6.203 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.807 -2.396 4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.632 -2.147 2.456 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.833 -1.041 3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.239 -0.424 2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.677 -2.855 3.734 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.162 -1.179 4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.423 -2.295 5.404 1.00 0.00 H new ATOM 881 N LEU A 56 -5.054 1.521 4.745 1.00 0.00 N ATOM 882 CA LEU A 56 -4.766 2.776 4.054 1.00 0.00 C ATOM 883 C LEU A 56 -3.612 2.578 3.082 1.00 0.00 C ATOM 884 O LEU A 56 -2.699 1.796 3.341 1.00 0.00 O ATOM 885 CB LEU A 56 -4.423 3.886 5.064 1.00 0.00 C ATOM 886 CG LEU A 56 -5.430 5.038 5.188 1.00 0.00 C ATOM 887 CD1 LEU A 56 -4.998 5.997 6.288 1.00 0.00 C ATOM 888 CD2 LEU A 56 -5.581 5.786 3.870 1.00 0.00 C ATOM 0 H LEU A 56 -4.269 1.143 5.275 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.654 3.079 3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.306 3.428 6.046 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.455 4.307 4.792 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.399 4.611 5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.720 6.810 6.366 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.948 5.463 7.237 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.016 6.406 6.049 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.301 6.595 3.991 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.617 6.199 3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.933 5.099 3.100 1.00 0.00 H new ATOM 900 N MET A 57 -3.657 3.283 1.961 1.00 0.00 N ATOM 901 CA MET A 57 -2.610 3.166 0.957 1.00 0.00 C ATOM 902 C MET A 57 -2.053 4.539 0.586 1.00 0.00 C ATOM 903 O MET A 57 -2.757 5.366 0.010 1.00 0.00 O ATOM 904 CB MET A 57 -3.161 2.442 -0.274 1.00 0.00 C ATOM 905 CG MET A 57 -4.055 1.265 0.091 1.00 0.00 C ATOM 906 SD MET A 57 -4.671 0.383 -1.356 1.00 0.00 S ATOM 907 CE MET A 57 -6.338 1.027 -1.466 1.00 0.00 C ATOM 0 H MET A 57 -4.402 3.938 1.725 1.00 0.00 H new ATOM 0 HA MET A 57 -1.786 2.583 1.369 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.726 3.147 -0.883 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.331 2.087 -0.884 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.498 0.573 0.723 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.900 1.624 0.679 1.00 0.00 H new ATOM 0 HE1 MET A 57 -7.047 0.200 -1.485 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.541 1.659 -0.602 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.442 1.615 -2.378 1.00 0.00 H new ATOM 917 N ILE A 58 -0.780 4.777 0.921 1.00 0.00 N ATOM 918 CA ILE A 58 -0.140 6.044 0.623 1.00 0.00 C ATOM 919 C ILE A 58 1.125 5.826 -0.199 1.00 0.00 C ATOM 920 O ILE A 58 1.911 4.923 0.086 1.00 0.00 O ATOM 921 CB ILE A 58 0.236 6.805 1.913 1.00 0.00 C ATOM 922 CG1 ILE A 58 -0.986 6.949 2.841 1.00 0.00 C ATOM 923 CG2 ILE A 58 0.826 8.162 1.560 1.00 0.00 C ATOM 924 CD1 ILE A 58 -1.273 8.373 3.284 1.00 0.00 C ATOM 0 H ILE A 58 -0.181 4.103 1.398 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.856 6.637 0.055 1.00 0.00 H new ATOM 0 HB ILE A 58 0.990 6.232 2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.864 6.557 2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.830 6.331 3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.089 8.693 2.475 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.720 8.023 0.951 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.093 8.743 1.001 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.148 8.383 3.934 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.413 8.765 3.828 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.464 8.995 2.409 1.00 0.00 H new ATOM 936 N LEU A 59 1.320 6.658 -1.213 1.00 0.00 N ATOM 937 CA LEU A 59 2.497 6.549 -2.065 1.00 0.00 C ATOM 938 C LEU A 59 3.323 7.822 -2.029 1.00 0.00 C ATOM 939 O LEU A 59 2.782 8.921 -1.965 1.00 0.00 O ATOM 940 CB LEU A 59 2.095 6.231 -3.516 1.00 0.00 C ATOM 941 CG LEU A 59 1.597 7.405 -4.375 1.00 0.00 C ATOM 942 CD1 LEU A 59 0.396 8.060 -3.733 1.00 0.00 C ATOM 943 CD2 LEU A 59 2.692 8.434 -4.629 1.00 0.00 C ATOM 0 H LEU A 59 0.682 7.413 -1.465 1.00 0.00 H new ATOM 0 HA LEU A 59 3.104 5.731 -1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.955 5.786 -4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.313 5.473 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 59 1.304 6.996 -5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.058 8.889 -4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.407 7.330 -3.633 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.670 8.435 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.295 9.245 -5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.043 8.834 -3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.523 7.960 -5.151 1.00 0.00 H new ATOM 955 N ASN A 60 4.634 7.669 -2.119 1.00 0.00 N ATOM 956 CA ASN A 60 5.530 8.812 -2.155 1.00 0.00 C ATOM 957 C ASN A 60 6.332 8.748 -3.442 1.00 0.00 C ATOM 958 O ASN A 60 7.261 7.948 -3.563 1.00 0.00 O ATOM 959 CB ASN A 60 6.467 8.819 -0.945 1.00 0.00 C ATOM 960 CG ASN A 60 5.757 8.456 0.347 1.00 0.00 C ATOM 961 OD1 ASN A 60 5.570 9.299 1.223 1.00 0.00 O ATOM 962 ND2 ASN A 60 5.361 7.195 0.470 1.00 0.00 N ATOM 0 H ASN A 60 5.101 6.764 -2.168 1.00 0.00 H new ATOM 0 HA ASN A 60 4.946 9.731 -2.119 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.282 8.116 -1.117 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.915 9.807 -0.843 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.880 6.892 1.317 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.537 6.529 -0.283 1.00 0.00 H new ATOM 969 N SER A 61 5.957 9.566 -4.418 1.00 0.00 N ATOM 970 CA SER A 61 6.653 9.543 -5.709 1.00 0.00 C ATOM 971 C SER A 61 6.692 10.914 -6.392 1.00 0.00 C ATOM 972 O SER A 61 5.690 11.628 -6.448 1.00 0.00 O ATOM 973 CB SER A 61 5.996 8.522 -6.640 1.00 0.00 C ATOM 974 OG SER A 61 5.138 7.654 -5.924 1.00 0.00 O ATOM 0 H SER A 61 5.194 10.240 -4.350 1.00 0.00 H new ATOM 0 HA SER A 61 7.685 9.257 -5.504 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.429 9.042 -7.412 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.766 7.940 -7.147 1.00 0.00 H new ATOM 0 HG SER A 61 5.674 7.036 -5.384 1.00 0.00 H new ATOM 980 N PRO A 62 7.876 11.289 -6.916 1.00 0.00 N ATOM 981 CA PRO A 62 8.104 12.574 -7.603 1.00 0.00 C ATOM 982 C PRO A 62 7.314 12.755 -8.896 1.00 0.00 C ATOM 983 O PRO A 62 7.250 13.865 -9.424 1.00 0.00 O ATOM 984 CB PRO A 62 9.599 12.545 -7.909 1.00 0.00 C ATOM 985 CG PRO A 62 9.959 11.103 -7.917 1.00 0.00 C ATOM 986 CD PRO A 62 9.109 10.487 -6.855 1.00 0.00 C ATOM 0 HA PRO A 62 7.774 13.403 -6.978 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.815 13.012 -8.870 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.167 13.090 -7.155 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.763 10.653 -8.890 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.019 10.960 -7.707 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.916 9.433 -7.053 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.581 10.546 -5.874 1.00 0.00 H new ATOM 994 N ASP A 63 6.717 11.688 -9.417 1.00 0.00 N ATOM 995 CA ASP A 63 5.953 11.806 -10.653 1.00 0.00 C ATOM 996 C ASP A 63 4.693 10.942 -10.591 1.00 0.00 C ATOM 997 O ASP A 63 4.663 9.937 -9.882 1.00 0.00 O ATOM 998 CB ASP A 63 6.825 11.427 -11.853 1.00 0.00 C ATOM 999 CG ASP A 63 7.715 12.572 -12.297 1.00 0.00 C ATOM 1000 OD1 ASP A 63 7.175 13.635 -12.669 1.00 0.00 O ATOM 1001 OD2 ASP A 63 8.953 12.405 -12.274 1.00 0.00 O ATOM 0 H ASP A 63 6.745 10.752 -9.013 1.00 0.00 H new ATOM 0 HA ASP A 63 5.640 12.843 -10.774 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.443 10.567 -11.594 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.187 11.122 -12.682 1.00 0.00 H new ATOM 1006 N GLU A 64 3.645 11.343 -11.312 1.00 0.00 N ATOM 1007 CA GLU A 64 2.382 10.577 -11.283 1.00 0.00 C ATOM 1008 C GLU A 64 2.576 9.144 -11.772 1.00 0.00 C ATOM 1009 O GLU A 64 2.064 8.215 -11.154 1.00 0.00 O ATOM 1010 CB GLU A 64 1.253 11.258 -12.069 1.00 0.00 C ATOM 1011 CG GLU A 64 0.441 12.213 -11.210 1.00 0.00 C ATOM 1012 CD GLU A 64 0.966 13.635 -11.262 1.00 0.00 C ATOM 1013 OE1 GLU A 64 2.144 13.819 -11.632 1.00 0.00 O ATOM 1014 OE2 GLU A 64 0.198 14.562 -10.931 1.00 0.00 O ATOM 0 H GLU A 64 3.635 12.169 -11.910 1.00 0.00 H new ATOM 0 HA GLU A 64 2.079 10.548 -10.236 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.679 11.804 -12.911 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.593 10.496 -12.484 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.597 12.201 -11.542 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.450 11.864 -10.177 1.00 0.00 H new ATOM 1021 N ASP A 65 3.320 8.946 -12.862 1.00 0.00 N ATOM 1022 CA ASP A 65 3.558 7.591 -13.365 1.00 0.00 C ATOM 1023 C ASP A 65 3.958 6.696 -12.202 1.00 0.00 C ATOM 1024 O ASP A 65 3.321 5.679 -11.926 1.00 0.00 O ATOM 1025 CB ASP A 65 4.670 7.609 -14.404 1.00 0.00 C ATOM 1026 CG ASP A 65 4.777 6.301 -15.164 1.00 0.00 C ATOM 1027 OD1 ASP A 65 4.285 5.274 -14.651 1.00 0.00 O ATOM 1028 OD2 ASP A 65 5.353 6.303 -16.273 1.00 0.00 O ATOM 0 H ASP A 65 3.760 9.689 -13.404 1.00 0.00 H new ATOM 0 HA ASP A 65 2.649 7.210 -13.830 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.491 8.421 -15.109 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.620 7.818 -13.911 1.00 0.00 H new ATOM 1033 N SER A 66 4.988 7.132 -11.490 1.00 0.00 N ATOM 1034 CA SER A 66 5.459 6.432 -10.304 1.00 0.00 C ATOM 1035 C SER A 66 4.343 6.431 -9.268 1.00 0.00 C ATOM 1036 O SER A 66 3.880 5.387 -8.817 1.00 0.00 O ATOM 1037 CB SER A 66 6.694 7.128 -9.728 1.00 0.00 C ATOM 1038 OG SER A 66 7.257 6.374 -8.671 1.00 0.00 O ATOM 0 H SER A 66 5.517 7.974 -11.716 1.00 0.00 H new ATOM 0 HA SER A 66 5.731 5.410 -10.568 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.436 7.268 -10.514 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.421 8.119 -9.366 1.00 0.00 H new ATOM 0 HG SER A 66 8.027 5.868 -9.004 1.00 0.00 H new ATOM 1044 N LEU A 67 3.913 7.640 -8.930 1.00 0.00 N ATOM 1045 CA LEU A 67 2.836 7.879 -7.970 1.00 0.00 C ATOM 1046 C LEU A 67 1.702 6.867 -8.135 1.00 0.00 C ATOM 1047 O LEU A 67 1.388 6.124 -7.207 1.00 0.00 O ATOM 1048 CB LEU A 67 2.335 9.323 -8.178 1.00 0.00 C ATOM 1049 CG LEU A 67 0.999 9.724 -7.540 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.783 11.221 -7.686 1.00 0.00 C ATOM 1051 CD2 LEU A 67 -0.175 8.973 -8.153 1.00 0.00 C ATOM 0 H LEU A 67 4.307 8.497 -9.319 1.00 0.00 H new ATOM 0 HA LEU A 67 3.209 7.754 -6.954 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.101 9.999 -7.800 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.258 9.498 -9.251 1.00 0.00 H new ATOM 0 HG LEU A 67 1.048 9.458 -6.484 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.168 11.498 -7.230 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.593 11.756 -7.189 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.769 11.485 -8.743 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.100 9.288 -7.671 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.229 9.191 -9.220 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.037 7.902 -8.008 1.00 0.00 H new ATOM 1063 N ALA A 68 1.090 6.836 -9.309 1.00 0.00 N ATOM 1064 CA ALA A 68 -0.005 5.910 -9.561 1.00 0.00 C ATOM 1065 C ALA A 68 0.497 4.474 -9.549 1.00 0.00 C ATOM 1066 O ALA A 68 -0.186 3.572 -9.064 1.00 0.00 O ATOM 1067 CB ALA A 68 -0.677 6.230 -10.889 1.00 0.00 C ATOM 0 H ALA A 68 1.330 7.437 -10.098 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.742 6.022 -8.766 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.493 5.529 -11.062 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.071 7.246 -10.862 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.052 6.145 -11.695 1.00 0.00 H new ATOM 1073 N HIS A 69 1.703 4.267 -10.073 1.00 0.00 N ATOM 1074 CA HIS A 69 2.299 2.937 -10.105 1.00 0.00 C ATOM 1075 C HIS A 69 2.335 2.348 -8.700 1.00 0.00 C ATOM 1076 O HIS A 69 2.141 1.150 -8.508 1.00 0.00 O ATOM 1077 CB HIS A 69 3.713 2.997 -10.684 1.00 0.00 C ATOM 1078 CG HIS A 69 4.327 1.649 -10.900 1.00 0.00 C ATOM 1079 ND1 HIS A 69 3.814 0.405 -10.740 1.00 0.00 N flip ATOM 1080 CD2 HIS A 69 5.624 1.473 -11.333 1.00 0.00 C flip ATOM 1081 CE1 HIS A 69 4.800 -0.489 -11.076 1.00 0.00 C flip ATOM 1082 NE2 HIS A 69 5.882 0.180 -11.431 1.00 0.00 N flip ATOM 0 H HIS A 69 2.283 5.001 -10.479 1.00 0.00 H new ATOM 0 HA HIS A 69 1.689 2.298 -10.744 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.686 3.532 -11.634 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.348 3.573 -10.012 1.00 0.00 H new ATOM 0 HD1 HIS A 69 2.870 0.176 -10.428 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.321 2.267 -11.557 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.706 -1.565 -11.054 1.00 0.00 H new ATOM 1091 N MET A 70 2.589 3.213 -7.724 1.00 0.00 N ATOM 1092 CA MET A 70 2.659 2.804 -6.322 1.00 0.00 C ATOM 1093 C MET A 70 1.256 2.653 -5.716 1.00 0.00 C ATOM 1094 O MET A 70 0.910 1.581 -5.221 1.00 0.00 O ATOM 1095 CB MET A 70 3.480 3.827 -5.519 1.00 0.00 C ATOM 1096 CG MET A 70 4.663 4.413 -6.277 1.00 0.00 C ATOM 1097 SD MET A 70 6.242 3.745 -5.719 1.00 0.00 S ATOM 1098 CE MET A 70 6.565 2.527 -6.992 1.00 0.00 C ATOM 0 H MET A 70 2.751 4.208 -7.878 1.00 0.00 H new ATOM 0 HA MET A 70 3.150 1.832 -6.274 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.823 4.640 -5.209 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.846 3.349 -4.610 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.543 4.212 -7.342 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.667 5.496 -6.155 1.00 0.00 H new ATOM 0 HE1 MET A 70 7.511 2.027 -6.785 1.00 0.00 H new ATOM 0 HE2 MET A 70 5.761 1.791 -7.004 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.620 3.021 -7.962 1.00 0.00 H new ATOM 1108 N GLN A 71 0.449 3.722 -5.746 1.00 0.00 N ATOM 1109 CA GLN A 71 -0.903 3.658 -5.182 1.00 0.00 C ATOM 1110 C GLN A 71 -1.700 2.492 -5.764 1.00 0.00 C ATOM 1111 O GLN A 71 -2.591 1.955 -5.106 1.00 0.00 O ATOM 1112 CB GLN A 71 -1.687 4.972 -5.368 1.00 0.00 C ATOM 1113 CG GLN A 71 -1.410 5.723 -6.654 1.00 0.00 C ATOM 1114 CD GLN A 71 -2.686 6.086 -7.393 1.00 0.00 C ATOM 1115 OE1 GLN A 71 -3.111 7.241 -7.389 1.00 0.00 O ATOM 1116 NE2 GLN A 71 -3.301 5.098 -8.032 1.00 0.00 N ATOM 0 H GLN A 71 0.703 4.625 -6.147 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.772 3.498 -4.112 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.753 4.748 -5.321 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.463 5.630 -4.528 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.852 6.632 -6.429 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.779 5.113 -7.300 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.912 4.155 -8.008 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.162 5.282 -8.547 1.00 0.00 H new ATOM 1125 N ASN A 72 -1.381 2.099 -6.995 1.00 0.00 N ATOM 1126 CA ASN A 72 -2.081 0.992 -7.642 1.00 0.00 C ATOM 1127 C ASN A 72 -1.516 -0.354 -7.193 1.00 0.00 C ATOM 1128 O ASN A 72 -2.269 -1.293 -6.933 1.00 0.00 O ATOM 1129 CB ASN A 72 -1.994 1.115 -9.163 1.00 0.00 C ATOM 1130 CG ASN A 72 -3.247 0.614 -9.855 1.00 0.00 C ATOM 1131 OD1 ASN A 72 -3.215 -0.385 -10.575 1.00 0.00 O ATOM 1132 ND2 ASN A 72 -4.359 1.306 -9.640 1.00 0.00 N ATOM 0 H ASN A 72 -0.648 2.527 -7.561 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.128 1.042 -7.344 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.826 2.158 -9.432 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.133 0.551 -9.522 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.233 1.016 -10.079 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.340 2.128 -9.036 1.00 0.00 H new ATOM 1139 N VAL A 73 -0.187 -0.445 -7.101 1.00 0.00 N ATOM 1140 CA VAL A 73 0.474 -1.678 -6.678 1.00 0.00 C ATOM 1141 C VAL A 73 -0.233 -2.286 -5.468 1.00 0.00 C ATOM 1142 O VAL A 73 -0.488 -3.490 -5.426 1.00 0.00 O ATOM 1143 CB VAL A 73 1.963 -1.421 -6.344 1.00 0.00 C ATOM 1144 CG1 VAL A 73 2.532 -2.513 -5.446 1.00 0.00 C ATOM 1145 CG2 VAL A 73 2.780 -1.307 -7.622 1.00 0.00 C ATOM 0 H VAL A 73 0.451 0.322 -7.314 1.00 0.00 H new ATOM 0 HA VAL A 73 0.420 -2.384 -7.507 1.00 0.00 H new ATOM 0 HB VAL A 73 2.023 -0.479 -5.799 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.579 -2.299 -5.232 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.971 -2.546 -4.512 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.454 -3.476 -5.950 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.825 -1.126 -7.371 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.698 -2.234 -8.190 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.403 -0.479 -8.222 1.00 0.00 H new ATOM 1155 N VAL A 74 -0.556 -1.443 -4.494 1.00 0.00 N ATOM 1156 CA VAL A 74 -1.246 -1.904 -3.291 1.00 0.00 C ATOM 1157 C VAL A 74 -2.682 -2.308 -3.615 1.00 0.00 C ATOM 1158 O VAL A 74 -3.143 -3.367 -3.189 1.00 0.00 O ATOM 1159 CB VAL A 74 -1.261 -0.830 -2.183 1.00 0.00 C ATOM 1160 CG1 VAL A 74 -2.061 -1.302 -0.974 1.00 0.00 C ATOM 1161 CG2 VAL A 74 0.155 -0.451 -1.765 1.00 0.00 C ATOM 0 H VAL A 74 -0.354 -0.443 -4.511 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.693 -2.768 -2.924 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.746 0.056 -2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.055 -0.526 -0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.088 -1.507 -1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.612 -2.211 -0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.113 0.307 -0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.671 -1.333 -1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.695 -0.056 -2.625 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.386 -1.470 -4.384 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.764 -1.768 -4.769 1.00 0.00 C ATOM 1173 C ALA A 75 -4.862 -3.192 -5.294 1.00 0.00 C ATOM 1174 O ALA A 75 -5.905 -3.838 -5.199 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.258 -0.781 -5.819 1.00 0.00 C ATOM 0 H ALA A 75 -3.025 -0.588 -4.748 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.398 -1.671 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.286 -1.022 -6.090 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.217 0.231 -5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.625 -0.844 -6.704 1.00 0.00 H new ATOM 1181 N ASP A 76 -3.751 -3.675 -5.840 1.00 0.00 N ATOM 1182 CA ASP A 76 -3.684 -5.028 -6.375 1.00 0.00 C ATOM 1183 C ASP A 76 -3.561 -6.052 -5.248 1.00 0.00 C ATOM 1184 O ASP A 76 -4.187 -7.112 -5.288 1.00 0.00 O ATOM 1185 CB ASP A 76 -2.498 -5.162 -7.332 1.00 0.00 C ATOM 1186 CG ASP A 76 -2.823 -6.020 -8.539 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -3.181 -7.201 -8.349 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -2.720 -5.509 -9.674 1.00 0.00 O ATOM 0 H ASP A 76 -2.882 -3.147 -5.923 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.607 -5.223 -6.921 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.191 -4.171 -7.666 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.652 -5.595 -6.799 1.00 0.00 H new ATOM 1193 N HIS A 77 -2.746 -5.731 -4.244 1.00 0.00 N ATOM 1194 CA HIS A 77 -2.536 -6.630 -3.110 1.00 0.00 C ATOM 1195 C HIS A 77 -3.842 -6.907 -2.364 1.00 0.00 C ATOM 1196 O HIS A 77 -4.110 -8.044 -1.972 1.00 0.00 O ATOM 1197 CB HIS A 77 -1.487 -6.053 -2.154 1.00 0.00 C ATOM 1198 CG HIS A 77 -0.214 -5.651 -2.835 1.00 0.00 C ATOM 1199 ND1 HIS A 77 0.028 -5.874 -4.175 1.00 0.00 N ATOM 1200 CD2 HIS A 77 0.894 -5.038 -2.354 1.00 0.00 C ATOM 1201 CE1 HIS A 77 1.227 -5.417 -4.487 1.00 0.00 C ATOM 1202 NE2 HIS A 77 1.773 -4.905 -3.400 1.00 0.00 N ATOM 0 H HIS A 77 -2.222 -4.858 -4.193 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.170 -7.578 -3.504 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -1.908 -5.185 -1.646 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.261 -6.793 -1.386 1.00 0.00 H new ATOM 0 HD2 HIS A 77 1.056 -4.714 -1.337 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.683 -5.456 -5.465 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.698 -4.479 -3.346 1.00 0.00 H new ATOM 1211 N LEU A 78 -4.657 -5.872 -2.173 1.00 0.00 N ATOM 1212 CA LEU A 78 -5.932 -6.018 -1.480 1.00 0.00 C ATOM 1213 C LEU A 78 -6.891 -6.901 -2.279 1.00 0.00 C ATOM 1214 O LEU A 78 -7.858 -7.431 -1.733 1.00 0.00 O ATOM 1215 CB LEU A 78 -6.570 -4.642 -1.241 1.00 0.00 C ATOM 1216 CG LEU A 78 -5.853 -3.725 -0.237 1.00 0.00 C ATOM 1217 CD1 LEU A 78 -6.779 -2.603 0.205 1.00 0.00 C ATOM 1218 CD2 LEU A 78 -5.365 -4.515 0.971 1.00 0.00 C ATOM 0 H LEU A 78 -4.456 -4.923 -2.489 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.740 -6.496 -0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.630 -4.122 -2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.593 -4.794 -0.896 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.984 -3.291 -0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.259 -1.961 0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.079 -2.016 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.664 -3.027 0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.861 -3.843 1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.215 -4.981 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.669 -5.287 0.644 1.00 0.00 H new ATOM 1230 N GLN A 79 -6.630 -7.045 -3.575 1.00 0.00 N ATOM 1231 CA GLN A 79 -7.485 -7.852 -4.440 1.00 0.00 C ATOM 1232 C GLN A 79 -7.341 -9.346 -4.154 1.00 0.00 C ATOM 1233 O GLN A 79 -8.310 -10.011 -3.789 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.163 -7.577 -5.910 1.00 0.00 C ATOM 1235 CG GLN A 79 -7.344 -6.122 -6.311 1.00 0.00 C ATOM 1236 CD GLN A 79 -8.496 -5.918 -7.276 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -9.078 -6.880 -7.778 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -8.830 -4.660 -7.541 1.00 0.00 N ATOM 0 H GLN A 79 -5.836 -6.615 -4.048 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.516 -7.568 -4.230 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.134 -7.875 -6.110 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.802 -8.200 -6.536 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.514 -5.522 -5.417 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.424 -5.759 -6.769 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.320 -3.894 -7.102 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.597 -4.460 -8.184 1.00 0.00 H new ATOM 1247 N ARG A 80 -6.134 -9.872 -4.337 1.00 0.00 N ATOM 1248 CA ARG A 80 -5.884 -11.294 -4.114 1.00 0.00 C ATOM 1249 C ARG A 80 -6.299 -11.728 -2.711 1.00 0.00 C ATOM 1250 O ARG A 80 -6.708 -12.871 -2.508 1.00 0.00 O ATOM 1251 CB ARG A 80 -4.410 -11.638 -4.350 1.00 0.00 C ATOM 1252 CG ARG A 80 -3.440 -10.566 -3.883 1.00 0.00 C ATOM 1253 CD ARG A 80 -2.385 -11.135 -2.947 1.00 0.00 C ATOM 1254 NE ARG A 80 -2.972 -11.969 -1.901 1.00 0.00 N ATOM 1255 CZ ARG A 80 -2.282 -12.855 -1.185 1.00 0.00 C ATOM 1256 NH1 ARG A 80 -0.984 -13.024 -1.398 1.00 0.00 N ATOM 1257 NH2 ARG A 80 -2.894 -13.574 -0.254 1.00 0.00 N ATOM 0 H ARG A 80 -5.317 -9.340 -4.637 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.494 -11.840 -4.834 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -4.179 -12.571 -3.836 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.255 -11.814 -5.414 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -2.954 -10.113 -4.747 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.989 -9.774 -3.374 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.671 -11.724 -3.522 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.828 -10.317 -2.489 1.00 0.00 H new ATOM 0 HE ARG A 80 -3.968 -11.867 -1.708 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.509 -12.474 -2.113 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.461 -13.704 -0.846 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.892 -13.448 -0.087 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.366 -14.253 0.295 1.00 0.00 H new ATOM 1271 N MET A 81 -6.194 -10.822 -1.743 1.00 0.00 N ATOM 1272 CA MET A 81 -6.565 -11.150 -0.370 1.00 0.00 C ATOM 1273 C MET A 81 -8.080 -11.117 -0.175 1.00 0.00 C ATOM 1274 O MET A 81 -8.596 -11.644 0.812 1.00 0.00 O ATOM 1275 CB MET A 81 -5.870 -10.216 0.630 1.00 0.00 C ATOM 1276 CG MET A 81 -6.220 -8.736 0.494 1.00 0.00 C ATOM 1277 SD MET A 81 -7.906 -8.349 1.010 1.00 0.00 S ATOM 1278 CE MET A 81 -7.608 -7.023 2.175 1.00 0.00 C ATOM 0 H MET A 81 -5.860 -9.868 -1.880 1.00 0.00 H new ATOM 0 HA MET A 81 -6.226 -12.168 -0.178 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.121 -10.540 1.640 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.792 -10.329 0.518 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.521 -8.149 1.090 1.00 0.00 H new ATOM 0 HG3 MET A 81 -6.087 -8.432 -0.544 1.00 0.00 H new ATOM 0 HE1 MET A 81 -8.019 -7.294 3.148 1.00 0.00 H new ATOM 0 HE2 MET A 81 -6.535 -6.855 2.268 1.00 0.00 H new ATOM 0 HE3 MET A 81 -8.089 -6.112 1.820 1.00 0.00 H new ATOM 1288 N ALA A 82 -8.788 -10.501 -1.116 1.00 0.00 N ATOM 1289 CA ALA A 82 -10.244 -10.406 -1.038 1.00 0.00 C ATOM 1290 C ALA A 82 -10.889 -10.819 -2.357 1.00 0.00 C ATOM 1291 O ALA A 82 -11.091 -9.992 -3.246 1.00 0.00 O ATOM 1292 CB ALA A 82 -10.660 -8.991 -0.664 1.00 0.00 C ATOM 0 H ALA A 82 -8.380 -10.061 -1.940 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.590 -11.091 -0.263 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.747 -8.934 -0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.234 -8.730 0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.298 -8.294 -1.419 1.00 0.00 H new ATOM 1298 N ASN A 83 -11.208 -12.103 -2.478 1.00 0.00 N ATOM 1299 CA ASN A 83 -11.829 -12.627 -3.689 1.00 0.00 C ATOM 1300 C ASN A 83 -13.339 -12.406 -3.670 1.00 0.00 C ATOM 1301 O ASN A 83 -14.061 -13.043 -2.902 1.00 0.00 O ATOM 1302 CB ASN A 83 -11.520 -14.119 -3.841 1.00 0.00 C ATOM 1303 CG ASN A 83 -10.462 -14.385 -4.893 1.00 0.00 C ATOM 1304 OD1 ASN A 83 -9.414 -14.963 -4.604 1.00 0.00 O ATOM 1305 ND2 ASN A 83 -10.731 -13.964 -6.123 1.00 0.00 N ATOM 0 H ASN A 83 -11.047 -12.801 -1.752 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.414 -12.088 -4.541 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.185 -14.517 -2.883 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -12.434 -14.651 -4.105 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -10.056 -14.115 -6.873 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -11.612 -13.489 -6.318 1.00 0.00 H new ATOM 1312 N SER A 84 -13.810 -11.498 -4.522 1.00 0.00 N ATOM 1313 CA SER A 84 -15.234 -11.191 -4.607 1.00 0.00 C ATOM 1314 C SER A 84 -15.489 -10.074 -5.614 1.00 0.00 C ATOM 1315 O SER A 84 -16.482 -10.093 -6.343 1.00 0.00 O ATOM 1316 CB SER A 84 -15.777 -10.787 -3.234 1.00 0.00 C ATOM 1317 OG SER A 84 -17.093 -10.272 -3.338 1.00 0.00 O ATOM 0 H SER A 84 -13.225 -10.962 -5.163 1.00 0.00 H new ATOM 0 HA SER A 84 -15.753 -12.089 -4.944 1.00 0.00 H new ATOM 0 HB2 SER A 84 -15.773 -11.651 -2.569 1.00 0.00 H new ATOM 0 HB3 SER A 84 -15.124 -10.037 -2.787 1.00 0.00 H new ATOM 0 HG SER A 84 -17.418 -10.023 -2.448 1.00 0.00 H new ATOM 1323 N GLU A 85 -14.586 -9.099 -5.647 1.00 0.00 N ATOM 1324 CA GLU A 85 -14.709 -7.969 -6.561 1.00 0.00 C ATOM 1325 C GLU A 85 -13.350 -7.321 -6.801 1.00 0.00 C ATOM 1326 O GLU A 85 -12.372 -7.644 -6.127 1.00 0.00 O ATOM 1327 CB GLU A 85 -15.683 -6.934 -5.994 1.00 0.00 C ATOM 1328 CG GLU A 85 -15.172 -6.241 -4.740 1.00 0.00 C ATOM 1329 CD GLU A 85 -16.136 -5.192 -4.220 1.00 0.00 C ATOM 1330 OE1 GLU A 85 -17.361 -5.430 -4.280 1.00 0.00 O ATOM 1331 OE2 GLU A 85 -15.666 -4.134 -3.752 1.00 0.00 O ATOM 0 H GLU A 85 -13.760 -9.069 -5.050 1.00 0.00 H new ATOM 0 HA GLU A 85 -15.093 -8.339 -7.512 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.887 -6.183 -6.757 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.630 -7.424 -5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.997 -6.986 -3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.211 -5.772 -4.954 1.00 0.00 H new ATOM 1338 N SER A 86 -13.293 -6.397 -7.756 1.00 0.00 N ATOM 1339 CA SER A 86 -12.048 -5.707 -8.059 1.00 0.00 C ATOM 1340 C SER A 86 -11.794 -4.606 -7.035 1.00 0.00 C ATOM 1341 O SER A 86 -11.898 -3.421 -7.347 1.00 0.00 O ATOM 1342 CB SER A 86 -12.094 -5.116 -9.469 1.00 0.00 C ATOM 1343 OG SER A 86 -10.947 -4.326 -9.729 1.00 0.00 O ATOM 0 H SER A 86 -14.088 -6.112 -8.328 1.00 0.00 H new ATOM 0 HA SER A 86 -11.231 -6.427 -8.011 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.159 -5.920 -10.202 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.991 -4.508 -9.583 1.00 0.00 H new ATOM 0 HG SER A 86 -11.000 -3.961 -10.637 1.00 0.00 H new ATOM 1349 N LEU A 87 -11.466 -5.029 -5.811 1.00 0.00 N ATOM 1350 CA LEU A 87 -11.192 -4.121 -4.684 1.00 0.00 C ATOM 1351 C LEU A 87 -11.797 -2.738 -4.859 1.00 0.00 C ATOM 1352 O LEU A 87 -11.293 -1.926 -5.634 1.00 0.00 O ATOM 1353 CB LEU A 87 -9.684 -3.947 -4.447 1.00 0.00 C ATOM 1354 CG LEU A 87 -9.157 -4.439 -3.095 1.00 0.00 C ATOM 1355 CD1 LEU A 87 -9.202 -3.311 -2.076 1.00 0.00 C ATOM 1356 CD2 LEU A 87 -9.932 -5.646 -2.577 1.00 0.00 C ATOM 0 H LEU A 87 -11.382 -6.016 -5.568 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.662 -4.602 -3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.149 -4.474 -5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.440 -2.889 -4.547 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.125 -4.757 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.825 -3.671 -1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.583 -2.483 -2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.230 -2.969 -1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.521 -5.957 -1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.981 -5.379 -2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.848 -6.466 -3.290 1.00 0.00 H new ATOM 1368 N GLU A 88 -12.835 -2.449 -4.093 1.00 0.00 N ATOM 1369 CA GLU A 88 -13.434 -1.132 -4.145 1.00 0.00 C ATOM 1370 C GLU A 88 -12.502 -0.164 -3.434 1.00 0.00 C ATOM 1371 O GLU A 88 -12.499 -0.084 -2.205 1.00 0.00 O ATOM 1372 CB GLU A 88 -14.806 -1.139 -3.471 1.00 0.00 C ATOM 1373 CG GLU A 88 -15.550 0.181 -3.590 1.00 0.00 C ATOM 1374 CD GLU A 88 -16.953 0.112 -3.021 1.00 0.00 C ATOM 1375 OE1 GLU A 88 -17.589 -0.957 -3.137 1.00 0.00 O ATOM 1376 OE2 GLU A 88 -17.416 1.126 -2.459 1.00 0.00 O ATOM 0 H GLU A 88 -13.273 -3.098 -3.439 1.00 0.00 H new ATOM 0 HA GLU A 88 -13.576 -0.827 -5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.414 -1.930 -3.911 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.682 -1.382 -2.416 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -14.989 0.958 -3.071 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.601 0.472 -4.639 1.00 0.00 H new ATOM 1383 N ILE A 89 -11.694 0.556 -4.203 1.00 0.00 N ATOM 1384 CA ILE A 89 -10.746 1.494 -3.620 1.00 0.00 C ATOM 1385 C ILE A 89 -10.855 2.871 -4.269 1.00 0.00 C ATOM 1386 O ILE A 89 -10.774 2.991 -5.493 1.00 0.00 O ATOM 1387 CB ILE A 89 -9.281 0.972 -3.737 1.00 0.00 C ATOM 1388 CG1 ILE A 89 -8.732 1.091 -5.172 1.00 0.00 C ATOM 1389 CG2 ILE A 89 -9.190 -0.468 -3.264 1.00 0.00 C ATOM 1390 CD1 ILE A 89 -9.055 -0.094 -6.060 1.00 0.00 C ATOM 0 H ILE A 89 -11.676 0.509 -5.222 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.000 1.584 -2.564 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.665 1.603 -3.096 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.135 1.994 -5.630 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.650 1.212 -5.126 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.161 -0.816 -3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.505 -0.529 -2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.839 -1.094 -3.877 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.633 0.069 -7.052 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.628 -0.999 -5.628 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.136 -0.205 -6.139 1.00 0.00 H new ATOM 1402 N ALA A 90 -11.017 3.921 -3.463 1.00 0.00 N ATOM 1403 CA ALA A 90 -11.094 5.260 -4.022 1.00 0.00 C ATOM 1404 C ALA A 90 -9.733 5.925 -3.927 1.00 0.00 C ATOM 1405 O ALA A 90 -9.260 6.251 -2.839 1.00 0.00 O ATOM 1406 CB ALA A 90 -12.148 6.104 -3.315 1.00 0.00 C ATOM 0 H ALA A 90 -11.095 3.869 -2.447 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.390 5.179 -5.068 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.177 7.098 -3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -13.124 5.631 -3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.898 6.187 -2.257 1.00 0.00 H new ATOM 1412 N TRP A 91 -9.106 6.117 -5.076 1.00 0.00 N ATOM 1413 CA TRP A 91 -7.792 6.737 -5.133 1.00 0.00 C ATOM 1414 C TRP A 91 -7.904 8.234 -5.382 1.00 0.00 C ATOM 1415 O TRP A 91 -8.637 8.677 -6.266 1.00 0.00 O ATOM 1416 CB TRP A 91 -6.945 6.090 -6.229 1.00 0.00 C ATOM 1417 CG TRP A 91 -7.534 6.235 -7.599 1.00 0.00 C ATOM 1418 CD1 TRP A 91 -8.424 5.393 -8.202 1.00 0.00 C ATOM 1419 CD2 TRP A 91 -7.274 7.284 -8.538 1.00 0.00 C ATOM 1420 NE1 TRP A 91 -8.734 5.856 -9.459 1.00 0.00 N ATOM 1421 CE2 TRP A 91 -8.040 7.015 -9.688 1.00 0.00 C ATOM 1422 CE3 TRP A 91 -6.467 8.426 -8.518 1.00 0.00 C ATOM 1423 CZ2 TRP A 91 -8.024 7.846 -10.806 1.00 0.00 C ATOM 1424 CZ3 TRP A 91 -6.453 9.250 -9.629 1.00 0.00 C ATOM 1425 CH2 TRP A 91 -7.227 8.956 -10.759 1.00 0.00 C ATOM 0 H TRP A 91 -9.487 5.852 -5.984 1.00 0.00 H new ATOM 0 HA TRP A 91 -7.307 6.583 -4.169 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.950 6.536 -6.220 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -6.822 5.030 -6.005 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -8.826 4.495 -7.757 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -9.376 5.410 -10.114 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -5.866 8.660 -7.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -8.620 7.622 -11.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -5.835 10.135 -9.625 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -7.194 9.620 -11.610 1.00 0.00 H new ATOM 1436 N GLN A 92 -7.168 9.009 -4.596 1.00 0.00 N ATOM 1437 CA GLN A 92 -7.179 10.461 -4.731 1.00 0.00 C ATOM 1438 C GLN A 92 -6.116 10.913 -5.729 1.00 0.00 C ATOM 1439 O GLN A 92 -5.136 10.206 -5.970 1.00 0.00 O ATOM 1440 CB GLN A 92 -6.938 11.124 -3.373 1.00 0.00 C ATOM 1441 CG GLN A 92 -8.020 10.825 -2.349 1.00 0.00 C ATOM 1442 CD GLN A 92 -7.773 11.517 -1.022 1.00 0.00 C ATOM 1443 OE1 GLN A 92 -6.679 12.020 -0.766 1.00 0.00 O ATOM 1444 NE2 GLN A 92 -8.791 11.543 -0.170 1.00 0.00 N ATOM 0 H GLN A 92 -6.556 8.658 -3.859 1.00 0.00 H new ATOM 0 HA GLN A 92 -8.158 10.764 -5.102 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.977 10.791 -2.981 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.869 12.203 -3.512 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.986 11.139 -2.744 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.076 9.748 -2.188 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -9.680 11.113 -0.425 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -8.684 11.993 0.739 1.00 0.00 H new ATOM 1453 N PRO A 93 -6.300 12.099 -6.334 1.00 0.00 N ATOM 1454 CA PRO A 93 -5.359 12.640 -7.320 1.00 0.00 C ATOM 1455 C PRO A 93 -3.912 12.584 -6.850 1.00 0.00 C ATOM 1456 O PRO A 93 -3.010 12.310 -7.642 1.00 0.00 O ATOM 1457 CB PRO A 93 -5.802 14.091 -7.467 1.00 0.00 C ATOM 1458 CG PRO A 93 -7.255 14.082 -7.139 1.00 0.00 C ATOM 1459 CD PRO A 93 -7.448 13.001 -6.110 1.00 0.00 C ATOM 0 HA PRO A 93 -5.378 12.067 -8.247 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.248 14.744 -6.792 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.627 14.457 -8.479 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.572 15.050 -6.751 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.853 13.884 -8.028 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.448 13.406 -5.098 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.397 12.483 -6.246 1.00 0.00 H new ATOM 1467 N ALA A 94 -3.699 12.857 -5.560 1.00 0.00 N ATOM 1468 CA ALA A 94 -2.360 12.854 -4.961 1.00 0.00 C ATOM 1469 C ALA A 94 -1.789 14.267 -4.899 1.00 0.00 C ATOM 1470 O ALA A 94 -0.666 14.515 -5.339 1.00 0.00 O ATOM 1471 CB ALA A 94 -1.404 11.935 -5.719 1.00 0.00 C ATOM 0 H ALA A 94 -4.445 13.085 -4.903 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.463 12.470 -3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.423 11.960 -5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.789 10.916 -5.702 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.317 12.273 -6.752 1.00 0.00 H new ATOM 1477 N GLU A 95 -2.570 15.191 -4.348 1.00 0.00 N ATOM 1478 CA GLU A 95 -2.142 16.580 -4.227 1.00 0.00 C ATOM 1479 C GLU A 95 -1.854 17.184 -5.598 1.00 0.00 C ATOM 1480 O GLU A 95 -0.877 16.821 -6.254 1.00 0.00 O ATOM 1481 CB GLU A 95 -0.896 16.676 -3.343 1.00 0.00 C ATOM 1482 CG GLU A 95 -0.858 17.926 -2.479 1.00 0.00 C ATOM 1483 CD GLU A 95 -0.451 17.635 -1.049 1.00 0.00 C ATOM 1484 OE1 GLU A 95 0.610 17.008 -0.849 1.00 0.00 O ATOM 1485 OE2 GLU A 95 -1.193 18.035 -0.127 1.00 0.00 O ATOM 0 H GLU A 95 -3.502 15.003 -3.979 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.952 17.144 -3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.849 15.798 -2.699 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.009 16.655 -3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.160 18.642 -2.913 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.841 18.397 -2.484 1.00 0.00 H new ATOM 1492 N SER A 96 -2.710 18.106 -6.024 1.00 0.00 N ATOM 1493 CA SER A 96 -2.547 18.760 -7.317 1.00 0.00 C ATOM 1494 C SER A 96 -2.606 20.277 -7.171 1.00 0.00 C ATOM 1495 O SER A 96 -1.689 20.955 -7.679 1.00 0.00 O ATOM 1496 CB SER A 96 -3.629 18.288 -8.291 1.00 0.00 C ATOM 1497 OG SER A 96 -4.807 17.909 -7.600 1.00 0.00 O ATOM 1498 OXT SER A 96 -3.568 20.774 -6.548 1.00 0.00 O ATOM 0 H SER A 96 -3.523 18.417 -5.493 1.00 0.00 H new ATOM 0 HA SER A 96 -1.568 18.489 -7.712 1.00 0.00 H new ATOM 0 HB2 SER A 96 -3.859 19.085 -8.998 1.00 0.00 H new ATOM 0 HB3 SER A 96 -3.257 17.444 -8.872 1.00 0.00 H new ATOM 0 HG SER A 96 -5.483 17.613 -8.244 1.00 0.00 H new TER 1504 SER A 96