USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 673 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 17:sc= 0.542 USER MOD Set 1.2: A 92 GLN : amide:sc= -0.146 X(o=0.4,f=0.38) USER MOD Set 2.1: A 51 HIS : no HD1:sc= -9.36! C(o=-17!,f=-16!) USER MOD Set 2.2: A 54 HIS : no HD1:sc= -7.41! C(o=-17!,f=-22!) USER MOD Set 3.1: A 10 THR OG1 : rot -61:sc= -2.93! USER MOD Set 3.2: A 81 MET CE :methyl -116:sc= -5.86! (180deg=-10.4!) USER MOD Set 4.1: A 6 SER OG : rot 110:sc= -1.61 USER MOD Set 4.2: A 57 MET CE :methyl 173:sc= -8.55! (180deg=-8.03!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= -1.29 (180deg=-1.35) USER MOD Single : A 4 SER OG : rot 119:sc= 0.197 USER MOD Single : A 7 HIS : no HD1:sc= -1.47 K(o=-1.5,f=-3.2!) USER MOD Single : A 12 SER OG : rot -55:sc= 1.17 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -4.6! C(o=-4.6!,f=-9!) USER MOD Single : A 21 CYS SG : rot -56:sc= -6.06! USER MOD Single : A 22 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00457) USER MOD Single : A 23 HIS : no HD1:sc= -0.0978 X(o=-0.098,f=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 0.189 (180deg=0.059) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -22:sc= 0.655 USER MOD Single : A 45 ASN : amide:sc= -6.26! C(o=-6.3!,f=-8.2!) USER MOD Single : A 46 CYS SG : rot 111:sc= -2.23 USER MOD Single : A 60 ASN : amide:sc= -0.895 K(o=-0.9,f=-5.8!) USER MOD Single : A 61 SER OG : rot -67:sc= -6.6! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.758 K(o=-0.76,f=0.012) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.38! C(o=-1.4!,f=-1.6!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 77 HIS : no HD1:sc= -2.1 X(o=-2.1,f=-2!) USER MOD Single : A 79 GLN : amide:sc= -2.29 K(o=-2.3,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.367 15.236 -5.637 1.00 0.00 N ATOM 2 CA MET A 1 6.857 14.287 -4.611 1.00 0.00 C ATOM 3 C MET A 1 5.427 14.622 -4.204 1.00 0.00 C ATOM 4 O MET A 1 5.180 15.407 -3.291 1.00 0.00 O ATOM 5 CB MET A 1 7.798 14.309 -3.406 1.00 0.00 C ATOM 6 CG MET A 1 7.828 15.635 -2.663 1.00 0.00 C ATOM 7 SD MET A 1 9.357 16.554 -2.936 1.00 0.00 S ATOM 8 CE MET A 1 8.942 18.130 -2.192 1.00 0.00 C ATOM 0 H1 MET A 1 8.354 15.001 -5.867 1.00 0.00 H new ATOM 0 H2 MET A 1 6.785 15.165 -6.496 1.00 0.00 H new ATOM 0 H3 MET A 1 7.320 16.206 -5.266 1.00 0.00 H new ATOM 0 HA MET A 1 6.834 13.282 -5.032 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.500 13.523 -2.712 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.807 14.071 -3.743 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.982 16.244 -2.981 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.705 15.451 -1.596 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.790 18.809 -2.281 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.079 18.558 -2.703 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.704 17.984 -1.138 1.00 0.00 H new ATOM 17 N PHE A 2 4.490 13.993 -4.895 1.00 0.00 N ATOM 18 CA PHE A 2 3.065 14.180 -4.633 1.00 0.00 C ATOM 19 C PHE A 2 2.582 13.070 -3.707 1.00 0.00 C ATOM 20 O PHE A 2 3.324 12.122 -3.450 1.00 0.00 O ATOM 21 CB PHE A 2 2.264 14.180 -5.944 1.00 0.00 C ATOM 22 CG PHE A 2 3.078 14.525 -7.161 1.00 0.00 C ATOM 23 CD1 PHE A 2 3.627 15.789 -7.307 1.00 0.00 C ATOM 24 CD2 PHE A 2 3.281 13.590 -8.162 1.00 0.00 C ATOM 25 CE1 PHE A 2 4.367 16.112 -8.428 1.00 0.00 C ATOM 26 CE2 PHE A 2 4.018 13.908 -9.285 1.00 0.00 C ATOM 27 CZ PHE A 2 4.562 15.171 -9.419 1.00 0.00 C ATOM 0 H PHE A 2 4.691 13.339 -5.652 1.00 0.00 H new ATOM 0 HA PHE A 2 2.910 15.146 -4.153 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.819 13.195 -6.085 1.00 0.00 H new ATOM 0 HB3 PHE A 2 1.443 14.891 -5.856 1.00 0.00 H new ATOM 0 HD1 PHE A 2 3.475 16.530 -6.536 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.858 12.601 -8.063 1.00 0.00 H new ATOM 0 HE1 PHE A 2 4.792 17.100 -8.529 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.169 13.170 -10.059 1.00 0.00 H new ATOM 0 HZ PHE A 2 5.139 15.421 -10.297 1.00 0.00 H new ATOM 37 N ARG A 3 1.355 13.168 -3.194 1.00 0.00 N ATOM 38 CA ARG A 3 0.867 12.123 -2.297 1.00 0.00 C ATOM 39 C ARG A 3 -0.648 11.923 -2.383 1.00 0.00 C ATOM 40 O ARG A 3 -1.427 12.854 -2.180 1.00 0.00 O ATOM 41 CB ARG A 3 1.281 12.405 -0.845 1.00 0.00 C ATOM 42 CG ARG A 3 2.070 11.265 -0.229 1.00 0.00 C ATOM 43 CD ARG A 3 3.554 11.586 -0.137 1.00 0.00 C ATOM 44 NE ARG A 3 4.046 11.504 1.236 1.00 0.00 N ATOM 45 CZ ARG A 3 3.884 12.466 2.141 1.00 0.00 C ATOM 46 NH1 ARG A 3 3.243 13.585 1.823 1.00 0.00 N ATOM 47 NH2 ARG A 3 4.364 12.311 3.368 1.00 0.00 N ATOM 0 H ARG A 3 0.702 13.931 -3.375 1.00 0.00 H new ATOM 0 HA ARG A 3 1.333 11.196 -2.629 1.00 0.00 H new ATOM 0 HB2 ARG A 3 1.880 13.315 -0.813 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.389 12.589 -0.246 1.00 0.00 H new ATOM 0 HG2 ARG A 3 1.682 11.052 0.767 1.00 0.00 H new ATOM 0 HG3 ARG A 3 1.930 10.363 -0.825 1.00 0.00 H new ATOM 0 HD2 ARG A 3 4.115 10.894 -0.765 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.733 12.588 -0.528 1.00 0.00 H new ATOM 0 HE ARG A 3 4.543 10.659 1.518 1.00 0.00 H new ATOM 0 HH11 ARG A 3 2.872 13.710 0.881 1.00 0.00 H new ATOM 0 HH12 ARG A 3 3.122 14.319 2.521 1.00 0.00 H new ATOM 0 HH21 ARG A 3 4.858 11.454 3.618 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.240 13.049 4.061 1.00 0.00 H new ATOM 61 N SER A 4 -1.042 10.677 -2.655 1.00 0.00 N ATOM 62 CA SER A 4 -2.443 10.283 -2.747 1.00 0.00 C ATOM 63 C SER A 4 -2.751 9.293 -1.631 1.00 0.00 C ATOM 64 O SER A 4 -1.834 8.716 -1.049 1.00 0.00 O ATOM 65 CB SER A 4 -2.730 9.637 -4.111 1.00 0.00 C ATOM 66 OG SER A 4 -3.673 8.583 -3.994 1.00 0.00 O ATOM 0 H SER A 4 -0.390 9.910 -2.818 1.00 0.00 H new ATOM 0 HA SER A 4 -3.074 11.166 -2.645 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.108 10.391 -4.801 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.803 9.253 -4.536 1.00 0.00 H new ATOM 0 HG SER A 4 -4.467 8.794 -4.528 1.00 0.00 H new ATOM 72 N THR A 5 -4.027 9.088 -1.326 1.00 0.00 N ATOM 73 CA THR A 5 -4.383 8.151 -0.268 1.00 0.00 C ATOM 74 C THR A 5 -5.691 7.416 -0.549 1.00 0.00 C ATOM 75 O THR A 5 -6.734 8.039 -0.755 1.00 0.00 O ATOM 76 CB THR A 5 -4.472 8.869 1.086 1.00 0.00 C ATOM 77 OG1 THR A 5 -5.619 9.698 1.135 1.00 0.00 O ATOM 78 CG2 THR A 5 -3.270 9.738 1.419 1.00 0.00 C ATOM 0 H THR A 5 -4.815 9.546 -1.784 1.00 0.00 H new ATOM 0 HA THR A 5 -3.588 7.406 -0.235 1.00 0.00 H new ATOM 0 HB THR A 5 -4.517 8.064 1.820 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.241 9.438 0.424 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.418 10.206 2.392 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.372 9.121 1.446 1.00 0.00 H new ATOM 0 HG23 THR A 5 -3.157 10.510 0.658 1.00 0.00 H new ATOM 86 N SER A 6 -5.630 6.084 -0.533 1.00 0.00 N ATOM 87 CA SER A 6 -6.815 5.260 -0.762 1.00 0.00 C ATOM 88 C SER A 6 -7.278 4.600 0.542 1.00 0.00 C ATOM 89 O SER A 6 -6.466 4.078 1.305 1.00 0.00 O ATOM 90 CB SER A 6 -6.524 4.190 -1.817 1.00 0.00 C ATOM 91 OG SER A 6 -7.705 3.489 -2.167 1.00 0.00 O ATOM 0 H SER A 6 -4.775 5.555 -0.364 1.00 0.00 H new ATOM 0 HA SER A 6 -7.614 5.907 -1.125 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.097 4.656 -2.705 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.781 3.490 -1.435 1.00 0.00 H new ATOM 0 HG SER A 6 -7.970 3.729 -3.079 1.00 0.00 H new ATOM 97 N HIS A 7 -8.589 4.633 0.792 1.00 0.00 N ATOM 98 CA HIS A 7 -9.161 4.042 2.011 1.00 0.00 C ATOM 99 C HIS A 7 -10.109 2.886 1.675 1.00 0.00 C ATOM 100 O HIS A 7 -10.956 3.006 0.790 1.00 0.00 O ATOM 101 CB HIS A 7 -9.905 5.116 2.817 1.00 0.00 C ATOM 102 CG HIS A 7 -10.355 4.667 4.177 1.00 0.00 C ATOM 103 ND1 HIS A 7 -11.096 3.523 4.396 1.00 0.00 N ATOM 104 CD2 HIS A 7 -10.170 5.227 5.398 1.00 0.00 C ATOM 105 CE1 HIS A 7 -11.342 3.400 5.688 1.00 0.00 C ATOM 106 NE2 HIS A 7 -10.790 4.419 6.316 1.00 0.00 N ATOM 0 H HIS A 7 -9.275 5.061 0.170 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.342 3.644 2.611 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.255 5.984 2.930 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.776 5.442 2.248 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.634 6.140 5.608 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -11.901 2.600 6.151 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -10.819 4.580 7.323 1.00 0.00 H new ATOM 115 N VAL A 8 -9.959 1.766 2.388 1.00 0.00 N ATOM 116 CA VAL A 8 -10.803 0.589 2.164 1.00 0.00 C ATOM 117 C VAL A 8 -11.186 -0.077 3.482 1.00 0.00 C ATOM 118 O VAL A 8 -10.441 0.004 4.459 1.00 0.00 O ATOM 119 CB VAL A 8 -10.086 -0.459 1.286 1.00 0.00 C ATOM 120 CG1 VAL A 8 -11.079 -1.468 0.728 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.309 0.212 0.164 1.00 0.00 C ATOM 0 H VAL A 8 -9.262 1.650 3.124 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.699 0.944 1.655 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.375 -0.995 1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.551 -2.196 0.113 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.577 -1.981 1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.821 -0.950 0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.813 -0.548 -0.440 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.994 0.783 -0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.562 0.882 0.589 1.00 0.00 H new ATOM 131 N ARG A 9 -12.325 -0.774 3.504 1.00 0.00 N ATOM 132 CA ARG A 9 -12.735 -1.476 4.720 1.00 0.00 C ATOM 133 C ARG A 9 -12.428 -2.967 4.581 1.00 0.00 C ATOM 134 O ARG A 9 -13.113 -3.688 3.856 1.00 0.00 O ATOM 135 CB ARG A 9 -14.227 -1.271 5.008 1.00 0.00 C ATOM 136 CG ARG A 9 -14.505 -0.084 5.914 1.00 0.00 C ATOM 137 CD ARG A 9 -14.183 1.230 5.221 1.00 0.00 C ATOM 138 NE ARG A 9 -14.814 2.369 5.884 1.00 0.00 N ATOM 139 CZ ARG A 9 -16.093 2.703 5.724 1.00 0.00 C ATOM 140 NH1 ARG A 9 -16.879 1.989 4.928 1.00 0.00 N ATOM 141 NH2 ARG A 9 -16.588 3.753 6.364 1.00 0.00 N ATOM 0 H ARG A 9 -12.965 -0.866 2.715 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.174 -1.063 5.558 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.756 -1.132 4.065 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.629 -2.173 5.469 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.553 -0.091 6.215 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.912 -0.172 6.824 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.103 1.375 5.202 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.516 1.184 4.184 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.242 2.941 6.505 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -16.504 1.179 4.434 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -17.858 2.250 4.810 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.989 4.305 6.979 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -17.568 4.009 6.242 1.00 0.00 H new ATOM 155 N THR A 10 -11.379 -3.415 5.269 1.00 0.00 N ATOM 156 CA THR A 10 -10.958 -4.815 5.217 1.00 0.00 C ATOM 157 C THR A 10 -10.737 -5.405 6.613 1.00 0.00 C ATOM 158 O THR A 10 -10.467 -4.677 7.560 1.00 0.00 O ATOM 159 CB THR A 10 -9.696 -4.946 4.366 1.00 0.00 C ATOM 160 OG1 THR A 10 -9.871 -5.939 3.374 1.00 0.00 O ATOM 161 CG2 THR A 10 -8.465 -5.302 5.162 1.00 0.00 C ATOM 0 H THR A 10 -10.803 -2.827 5.871 1.00 0.00 H new ATOM 0 HA THR A 10 -11.763 -5.388 4.757 1.00 0.00 H new ATOM 0 HB THR A 10 -9.542 -3.962 3.923 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.040 -6.804 3.803 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.608 -5.378 4.493 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.276 -4.528 5.906 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.620 -6.257 5.663 1.00 0.00 H new ATOM 169 N GLU A 11 -10.816 -6.727 6.727 1.00 0.00 N ATOM 170 CA GLU A 11 -10.586 -7.395 8.009 1.00 0.00 C ATOM 171 C GLU A 11 -9.213 -8.087 8.041 1.00 0.00 C ATOM 172 O GLU A 11 -8.740 -8.581 7.018 1.00 0.00 O ATOM 173 CB GLU A 11 -11.693 -8.412 8.274 1.00 0.00 C ATOM 174 CG GLU A 11 -12.504 -8.097 9.518 1.00 0.00 C ATOM 175 CD GLU A 11 -13.998 -8.087 9.257 1.00 0.00 C ATOM 176 OE1 GLU A 11 -14.488 -9.017 8.583 1.00 0.00 O ATOM 177 OE2 GLU A 11 -14.675 -7.149 9.726 1.00 0.00 O ATOM 0 H GLU A 11 -11.036 -7.356 5.955 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.598 -6.637 8.792 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.359 -8.448 7.412 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.251 -9.403 8.377 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.279 -8.834 10.289 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.201 -7.125 9.908 1.00 0.00 H new ATOM 184 N SER A 12 -8.579 -8.122 9.222 1.00 0.00 N ATOM 185 CA SER A 12 -7.267 -8.756 9.375 1.00 0.00 C ATOM 186 C SER A 12 -6.222 -8.091 8.483 1.00 0.00 C ATOM 187 O SER A 12 -5.249 -8.717 8.062 1.00 0.00 O ATOM 188 CB SER A 12 -7.361 -10.248 9.061 1.00 0.00 C ATOM 189 OG SER A 12 -6.076 -10.842 8.995 1.00 0.00 O ATOM 0 H SER A 12 -8.954 -7.719 10.081 1.00 0.00 H new ATOM 0 HA SER A 12 -6.952 -8.631 10.411 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.955 -10.746 9.827 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.879 -10.390 8.113 1.00 0.00 H new ATOM 0 HG SER A 12 -5.525 -10.358 8.345 1.00 0.00 H new ATOM 195 N ALA A 13 -6.446 -6.818 8.199 1.00 0.00 N ATOM 196 CA ALA A 13 -5.546 -6.029 7.349 1.00 0.00 C ATOM 197 C ALA A 13 -4.086 -6.067 7.799 1.00 0.00 C ATOM 198 O ALA A 13 -3.188 -6.323 6.997 1.00 0.00 O ATOM 199 CB ALA A 13 -6.009 -4.586 7.322 1.00 0.00 C ATOM 0 H ALA A 13 -7.251 -6.297 8.546 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.589 -6.480 6.358 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.340 -4.001 6.691 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.022 -4.536 6.922 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.999 -4.182 8.334 1.00 0.00 H new ATOM 205 N ALA A 14 -3.853 -5.748 9.065 1.00 0.00 N ATOM 206 CA ALA A 14 -2.492 -5.676 9.617 1.00 0.00 C ATOM 207 C ALA A 14 -1.566 -6.811 9.162 1.00 0.00 C ATOM 208 O ALA A 14 -0.346 -6.648 9.163 1.00 0.00 O ATOM 209 CB ALA A 14 -2.563 -5.611 11.129 1.00 0.00 C ATOM 0 H ALA A 14 -4.588 -5.533 9.738 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.042 -4.766 9.219 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.554 -5.558 11.539 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.124 -4.726 11.429 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.062 -6.503 11.508 1.00 0.00 H new ATOM 215 N ARG A 15 -2.125 -7.952 8.782 1.00 0.00 N ATOM 216 CA ARG A 15 -1.313 -9.084 8.344 1.00 0.00 C ATOM 217 C ARG A 15 -0.881 -8.957 6.887 1.00 0.00 C ATOM 218 O ARG A 15 0.242 -9.313 6.532 1.00 0.00 O ATOM 219 CB ARG A 15 -2.088 -10.382 8.546 1.00 0.00 C ATOM 220 CG ARG A 15 -1.202 -11.614 8.605 1.00 0.00 C ATOM 221 CD ARG A 15 -0.526 -11.915 7.272 1.00 0.00 C ATOM 222 NE ARG A 15 -0.869 -13.246 6.776 1.00 0.00 N ATOM 223 CZ ARG A 15 -0.798 -13.603 5.495 1.00 0.00 C ATOM 224 NH1 ARG A 15 -0.391 -12.735 4.577 1.00 0.00 N ATOM 225 NH2 ARG A 15 -1.132 -14.833 5.131 1.00 0.00 N ATOM 0 H ARG A 15 -3.131 -8.120 8.767 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.407 -9.093 8.951 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.662 -10.313 9.470 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.805 -10.498 7.733 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.439 -11.472 9.371 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.801 -12.473 8.907 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.822 -11.166 6.537 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.555 -11.838 7.388 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.182 -13.943 7.451 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.130 -11.788 4.851 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.339 -13.015 3.598 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.443 -15.506 5.832 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.078 -15.107 4.150 1.00 0.00 H new ATOM 239 N TYR A 16 -1.775 -8.461 6.046 1.00 0.00 N ATOM 240 CA TYR A 16 -1.475 -8.310 4.624 1.00 0.00 C ATOM 241 C TYR A 16 -0.362 -7.293 4.418 1.00 0.00 C ATOM 242 O TYR A 16 0.333 -7.335 3.409 1.00 0.00 O ATOM 243 CB TYR A 16 -2.723 -7.915 3.819 1.00 0.00 C ATOM 244 CG TYR A 16 -3.891 -8.900 3.886 1.00 0.00 C ATOM 245 CD1 TYR A 16 -3.726 -10.248 4.226 1.00 0.00 C ATOM 246 CD2 TYR A 16 -5.180 -8.462 3.607 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.808 -11.107 4.287 1.00 0.00 C ATOM 248 CE2 TYR A 16 -6.261 -9.320 3.666 1.00 0.00 C ATOM 249 CZ TYR A 16 -6.071 -10.638 4.008 1.00 0.00 C ATOM 250 OH TYR A 16 -7.147 -11.494 4.068 1.00 0.00 O ATOM 0 H TYR A 16 -2.710 -8.157 6.318 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.138 -9.278 4.254 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.069 -6.944 4.173 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.436 -7.790 2.775 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.737 -10.623 4.444 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.340 -7.428 3.338 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.662 -12.143 4.553 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.253 -8.956 3.444 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.967 -11.005 3.844 1.00 0.00 H new ATOM 260 N VAL A 17 -0.182 -6.393 5.380 1.00 0.00 N ATOM 261 CA VAL A 17 0.878 -5.391 5.287 1.00 0.00 C ATOM 262 C VAL A 17 2.203 -5.969 5.787 1.00 0.00 C ATOM 263 O VAL A 17 3.252 -5.763 5.179 1.00 0.00 O ATOM 264 CB VAL A 17 0.545 -4.113 6.100 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.798 -3.300 6.398 1.00 0.00 C ATOM 266 CG2 VAL A 17 -0.455 -3.241 5.367 1.00 0.00 C ATOM 0 H VAL A 17 -0.750 -6.335 6.226 1.00 0.00 H new ATOM 0 HA VAL A 17 0.963 -5.116 4.236 1.00 0.00 H new ATOM 0 HB VAL A 17 0.107 -4.444 7.042 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.528 -2.412 6.969 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.495 -3.905 6.977 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.269 -3.000 5.462 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.668 -2.353 5.962 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.040 -2.942 4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.377 -3.800 5.207 1.00 0.00 H new ATOM 276 N ASN A 18 2.145 -6.674 6.915 1.00 0.00 N ATOM 277 CA ASN A 18 3.336 -7.260 7.518 1.00 0.00 C ATOM 278 C ASN A 18 3.893 -8.427 6.704 1.00 0.00 C ATOM 279 O ASN A 18 5.095 -8.684 6.733 1.00 0.00 O ATOM 280 CB ASN A 18 3.024 -7.730 8.939 1.00 0.00 C ATOM 281 CG ASN A 18 2.388 -6.641 9.782 1.00 0.00 C ATOM 282 OD1 ASN A 18 1.975 -5.602 9.267 1.00 0.00 O ATOM 283 ND2 ASN A 18 2.307 -6.875 11.087 1.00 0.00 N ATOM 0 H ASN A 18 1.283 -6.853 7.430 1.00 0.00 H new ATOM 0 HA ASN A 18 4.099 -6.482 7.538 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.355 -8.589 8.896 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.944 -8.066 9.418 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.889 -6.179 11.705 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.662 -7.751 11.471 1.00 0.00 H new ATOM 290 N ARG A 19 3.030 -9.149 6.000 1.00 0.00 N ATOM 291 CA ARG A 19 3.472 -10.293 5.218 1.00 0.00 C ATOM 292 C ARG A 19 4.149 -9.883 3.909 1.00 0.00 C ATOM 293 O ARG A 19 4.859 -10.681 3.298 1.00 0.00 O ATOM 294 CB ARG A 19 2.292 -11.217 4.937 1.00 0.00 C ATOM 295 CG ARG A 19 2.647 -12.685 5.059 1.00 0.00 C ATOM 296 CD ARG A 19 2.454 -13.213 6.477 1.00 0.00 C ATOM 297 NE ARG A 19 2.854 -12.245 7.500 1.00 0.00 N ATOM 298 CZ ARG A 19 3.373 -12.581 8.680 1.00 0.00 C ATOM 299 NH1 ARG A 19 3.545 -13.858 9.004 1.00 0.00 N ATOM 300 NH2 ARG A 19 3.715 -11.636 9.545 1.00 0.00 N ATOM 0 H ARG A 19 2.028 -8.964 5.955 1.00 0.00 H new ATOM 0 HA ARG A 19 4.220 -10.821 5.810 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.483 -10.986 5.630 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.916 -11.022 3.933 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.030 -13.264 4.371 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.684 -12.832 4.757 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.407 -13.477 6.622 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.034 -14.128 6.602 1.00 0.00 H new ATOM 0 HE ARG A 19 2.728 -11.253 7.297 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.279 -14.591 8.347 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.943 -14.105 9.910 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.581 -10.653 9.306 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.112 -11.892 10.449 1.00 0.00 H new ATOM 314 N LEU A 20 3.919 -8.649 3.472 1.00 0.00 N ATOM 315 CA LEU A 20 4.509 -8.165 2.224 1.00 0.00 C ATOM 316 C LEU A 20 6.011 -7.938 2.348 1.00 0.00 C ATOM 317 O LEU A 20 6.779 -8.354 1.481 1.00 0.00 O ATOM 318 CB LEU A 20 3.837 -6.870 1.781 1.00 0.00 C ATOM 319 CG LEU A 20 2.328 -6.956 1.562 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.836 -5.703 0.862 1.00 0.00 C ATOM 321 CD2 LEU A 20 1.940 -8.197 0.757 1.00 0.00 C ATOM 0 H LEU A 20 3.334 -7.969 3.957 1.00 0.00 H new ATOM 0 HA LEU A 20 4.345 -8.940 1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.035 -6.103 2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.303 -6.538 0.853 1.00 0.00 H new ATOM 0 HG LEU A 20 1.853 -7.038 2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.759 -5.771 0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.061 -4.831 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.334 -5.606 -0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.858 -8.221 0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.425 -8.164 -0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.259 -9.092 1.291 1.00 0.00 H new ATOM 333 N CYS A 21 6.432 -7.272 3.420 1.00 0.00 N ATOM 334 CA CYS A 21 7.854 -6.997 3.623 1.00 0.00 C ATOM 335 C CYS A 21 8.669 -8.278 3.504 1.00 0.00 C ATOM 336 O CYS A 21 9.745 -8.295 2.911 1.00 0.00 O ATOM 337 CB CYS A 21 8.092 -6.354 4.991 1.00 0.00 C ATOM 338 SG CYS A 21 7.600 -7.391 6.384 1.00 0.00 S ATOM 0 H CYS A 21 5.819 -6.916 4.154 1.00 0.00 H new ATOM 0 HA CYS A 21 8.176 -6.301 2.849 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.150 -6.111 5.088 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.543 -5.413 5.040 1.00 0.00 H new ATOM 0 HG CYS A 21 6.350 -7.724 6.257 1.00 0.00 H new ATOM 344 N LYS A 22 8.136 -9.353 4.061 1.00 0.00 N ATOM 345 CA LYS A 22 8.798 -10.647 4.009 1.00 0.00 C ATOM 346 C LYS A 22 8.613 -11.288 2.635 1.00 0.00 C ATOM 347 O LYS A 22 9.359 -12.188 2.248 1.00 0.00 O ATOM 348 CB LYS A 22 8.244 -11.569 5.098 1.00 0.00 C ATOM 349 CG LYS A 22 8.398 -11.018 6.511 1.00 0.00 C ATOM 350 CD LYS A 22 7.119 -11.184 7.316 1.00 0.00 C ATOM 351 CE LYS A 22 6.867 -12.641 7.666 1.00 0.00 C ATOM 352 NZ LYS A 22 7.739 -13.103 8.780 1.00 0.00 N ATOM 0 H LYS A 22 7.244 -9.355 4.556 1.00 0.00 H new ATOM 0 HA LYS A 22 9.864 -10.497 4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.187 -11.751 4.903 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.750 -12.532 5.037 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.216 -11.532 7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.665 -9.962 6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.184 -10.595 8.231 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.276 -10.794 6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.822 -12.772 7.945 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.042 -13.261 6.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.501 -14.086 9.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.735 -13.050 8.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.591 -12.496 9.611 1.00 0.00 H new ATOM 366 N HIS A 23 7.598 -10.823 1.909 1.00 0.00 N ATOM 367 CA HIS A 23 7.286 -11.349 0.584 1.00 0.00 C ATOM 368 C HIS A 23 8.118 -10.687 -0.512 1.00 0.00 C ATOM 369 O HIS A 23 8.891 -11.357 -1.199 1.00 0.00 O ATOM 370 CB HIS A 23 5.798 -11.167 0.282 1.00 0.00 C ATOM 371 CG HIS A 23 5.270 -12.136 -0.731 1.00 0.00 C ATOM 372 ND1 HIS A 23 4.082 -12.816 -0.573 1.00 0.00 N ATOM 373 CD2 HIS A 23 5.777 -12.537 -1.921 1.00 0.00 C ATOM 374 CE1 HIS A 23 3.879 -13.595 -1.623 1.00 0.00 C ATOM 375 NE2 HIS A 23 4.893 -13.442 -2.455 1.00 0.00 N ATOM 0 H HIS A 23 6.975 -10.078 2.220 1.00 0.00 H new ATOM 0 HA HIS A 23 7.535 -12.410 0.592 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.232 -11.276 1.207 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.630 -10.151 -0.076 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.704 -12.207 -2.367 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.030 -14.245 -1.774 1.00 0.00 H new ATOM 0 HE2 HIS A 23 5.002 -13.919 -3.350 1.00 0.00 H new ATOM 384 N TRP A 24 7.947 -9.378 -0.695 1.00 0.00 N ATOM 385 CA TRP A 24 8.678 -8.661 -1.733 1.00 0.00 C ATOM 386 C TRP A 24 10.067 -8.232 -1.256 1.00 0.00 C ATOM 387 O TRP A 24 10.890 -7.796 -2.060 1.00 0.00 O ATOM 388 CB TRP A 24 7.879 -7.442 -2.193 1.00 0.00 C ATOM 389 CG TRP A 24 6.586 -7.797 -2.861 1.00 0.00 C ATOM 390 CD1 TRP A 24 5.331 -7.441 -2.460 1.00 0.00 C ATOM 391 CD2 TRP A 24 6.422 -8.580 -4.048 1.00 0.00 C ATOM 392 NE1 TRP A 24 4.395 -7.954 -3.326 1.00 0.00 N ATOM 393 CE2 TRP A 24 5.041 -8.657 -4.310 1.00 0.00 C ATOM 394 CE3 TRP A 24 7.309 -9.223 -4.917 1.00 0.00 C ATOM 395 CZ2 TRP A 24 4.527 -9.350 -5.402 1.00 0.00 C ATOM 396 CZ3 TRP A 24 6.797 -9.912 -6.002 1.00 0.00 C ATOM 397 CH2 TRP A 24 5.418 -9.970 -6.235 1.00 0.00 C ATOM 0 H TRP A 24 7.314 -8.799 -0.143 1.00 0.00 H new ATOM 0 HA TRP A 24 8.813 -9.342 -2.573 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.672 -6.806 -1.332 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.487 -6.857 -2.883 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.106 -6.843 -1.589 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.385 -7.832 -3.249 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.374 -9.183 -4.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.464 -9.397 -5.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.472 -10.413 -6.680 1.00 0.00 H new ATOM 0 HH2 TRP A 24 5.049 -10.516 -7.091 1.00 0.00 H new ATOM 408 N GLY A 25 10.330 -8.354 0.049 1.00 0.00 N ATOM 409 CA GLY A 25 11.627 -7.968 0.572 1.00 0.00 C ATOM 410 C GLY A 25 12.739 -8.897 0.125 1.00 0.00 C ATOM 411 O GLY A 25 13.352 -9.581 0.945 1.00 0.00 O ATOM 0 H GLY A 25 9.672 -8.710 0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.856 -6.952 0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.586 -7.955 1.661 1.00 0.00 H new ATOM 415 N HIS A 26 13.000 -8.921 -1.176 1.00 0.00 N ATOM 416 CA HIS A 26 14.045 -9.771 -1.730 1.00 0.00 C ATOM 417 C HIS A 26 15.200 -8.929 -2.259 1.00 0.00 C ATOM 418 O HIS A 26 16.352 -9.365 -2.256 1.00 0.00 O ATOM 419 CB HIS A 26 13.481 -10.647 -2.851 1.00 0.00 C ATOM 420 CG HIS A 26 13.050 -12.004 -2.389 1.00 0.00 C ATOM 421 ND1 HIS A 26 12.273 -12.207 -1.269 1.00 0.00 N ATOM 422 CD2 HIS A 26 13.291 -13.233 -2.905 1.00 0.00 C ATOM 423 CE1 HIS A 26 12.056 -13.502 -1.114 1.00 0.00 C ATOM 424 NE2 HIS A 26 12.662 -14.144 -2.094 1.00 0.00 N ATOM 0 H HIS A 26 12.502 -8.361 -1.867 1.00 0.00 H new ATOM 0 HA HIS A 26 14.419 -10.414 -0.933 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.630 -10.139 -3.305 1.00 0.00 H new ATOM 0 HB3 HIS A 26 14.237 -10.760 -3.628 1.00 0.00 H new ATOM 0 HD2 HIS A 26 13.870 -13.455 -3.789 1.00 0.00 H new ATOM 0 HE1 HIS A 26 11.481 -13.956 -0.321 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.663 -15.155 -2.228 1.00 0.00 H new ATOM 433 N LYS A 27 14.887 -7.720 -2.714 1.00 0.00 N ATOM 434 CA LYS A 27 15.901 -6.818 -3.250 1.00 0.00 C ATOM 435 C LYS A 27 15.508 -5.361 -2.997 1.00 0.00 C ATOM 436 O LYS A 27 15.983 -4.451 -3.671 1.00 0.00 O ATOM 437 CB LYS A 27 16.083 -7.092 -4.750 1.00 0.00 C ATOM 438 CG LYS A 27 16.955 -6.081 -5.485 1.00 0.00 C ATOM 439 CD LYS A 27 16.111 -5.147 -6.339 1.00 0.00 C ATOM 440 CE LYS A 27 16.537 -3.696 -6.187 1.00 0.00 C ATOM 441 NZ LYS A 27 16.458 -2.956 -7.478 1.00 0.00 N ATOM 0 H LYS A 27 13.940 -7.342 -2.722 1.00 0.00 H new ATOM 0 HA LYS A 27 16.850 -6.995 -2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.519 -8.083 -4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.101 -7.114 -5.222 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.529 -5.500 -4.764 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.673 -6.606 -6.115 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.191 -5.441 -7.386 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.062 -5.248 -6.059 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.902 -3.207 -5.448 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.558 -3.655 -5.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.081 -2.124 -7.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.760 -3.579 -8.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.478 -2.648 -7.642 1.00 0.00 H new ATOM 455 N PHE A 28 14.635 -5.142 -2.017 1.00 0.00 N ATOM 456 CA PHE A 28 14.191 -3.797 -1.689 1.00 0.00 C ATOM 457 C PHE A 28 14.076 -3.606 -0.186 1.00 0.00 C ATOM 458 O PHE A 28 13.890 -4.565 0.563 1.00 0.00 O ATOM 459 CB PHE A 28 12.851 -3.503 -2.361 1.00 0.00 C ATOM 460 CG PHE A 28 12.974 -3.216 -3.830 1.00 0.00 C ATOM 461 CD1 PHE A 28 13.335 -1.955 -4.274 1.00 0.00 C ATOM 462 CD2 PHE A 28 12.731 -4.209 -4.765 1.00 0.00 C ATOM 463 CE1 PHE A 28 13.451 -1.687 -5.624 1.00 0.00 C ATOM 464 CE2 PHE A 28 12.846 -3.947 -6.118 1.00 0.00 C ATOM 465 CZ PHE A 28 13.206 -2.685 -6.547 1.00 0.00 C ATOM 0 H PHE A 28 14.225 -5.877 -1.441 1.00 0.00 H new ATOM 0 HA PHE A 28 14.938 -3.097 -2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 28 12.186 -4.355 -2.219 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.385 -2.649 -1.869 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.528 -1.172 -3.556 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.449 -5.198 -4.434 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.733 -0.699 -5.957 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.654 -4.729 -6.838 1.00 0.00 H new ATOM 0 HZ PHE A 28 13.296 -2.478 -7.603 1.00 0.00 H new ATOM 475 N GLU A 29 14.183 -2.357 0.249 1.00 0.00 N ATOM 476 CA GLU A 29 14.084 -2.038 1.666 1.00 0.00 C ATOM 477 C GLU A 29 12.631 -2.107 2.113 1.00 0.00 C ATOM 478 O GLU A 29 11.813 -1.270 1.733 1.00 0.00 O ATOM 479 CB GLU A 29 14.661 -0.651 1.947 1.00 0.00 C ATOM 480 CG GLU A 29 14.217 0.402 0.950 1.00 0.00 C ATOM 481 CD GLU A 29 15.303 0.757 -0.047 1.00 0.00 C ATOM 482 OE1 GLU A 29 16.211 -0.075 -0.256 1.00 0.00 O ATOM 483 OE2 GLU A 29 15.244 1.865 -0.621 1.00 0.00 O ATOM 0 H GLU A 29 14.338 -1.551 -0.357 1.00 0.00 H new ATOM 0 HA GLU A 29 14.663 -2.769 2.230 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.365 -0.339 2.949 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.749 -0.711 1.940 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.340 0.041 0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.914 1.301 1.487 1.00 0.00 H new ATOM 490 N VAL A 30 12.312 -3.123 2.904 1.00 0.00 N ATOM 491 CA VAL A 30 10.949 -3.318 3.380 1.00 0.00 C ATOM 492 C VAL A 30 10.872 -3.302 4.906 1.00 0.00 C ATOM 493 O VAL A 30 11.414 -4.185 5.573 1.00 0.00 O ATOM 494 CB VAL A 30 10.363 -4.651 2.862 1.00 0.00 C ATOM 495 CG1 VAL A 30 9.621 -4.456 1.548 1.00 0.00 C ATOM 496 CG2 VAL A 30 11.458 -5.695 2.698 1.00 0.00 C ATOM 0 H VAL A 30 12.978 -3.824 3.229 1.00 0.00 H new ATOM 0 HA VAL A 30 10.363 -2.486 2.990 1.00 0.00 H new ATOM 0 HB VAL A 30 9.649 -5.007 3.605 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.221 -5.412 1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.802 -3.751 1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.307 -4.065 0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.022 -6.625 2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.199 -5.336 1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.938 -5.873 3.660 1.00 0.00 H new ATOM 506 N GLU A 31 10.180 -2.303 5.454 1.00 0.00 N ATOM 507 CA GLU A 31 10.015 -2.185 6.898 1.00 0.00 C ATOM 508 C GLU A 31 8.722 -2.869 7.332 1.00 0.00 C ATOM 509 O GLU A 31 7.813 -3.056 6.525 1.00 0.00 O ATOM 510 CB GLU A 31 10.004 -0.712 7.316 1.00 0.00 C ATOM 511 CG GLU A 31 10.945 -0.403 8.469 1.00 0.00 C ATOM 512 CD GLU A 31 10.839 1.034 8.938 1.00 0.00 C ATOM 513 OE1 GLU A 31 9.789 1.397 9.510 1.00 0.00 O ATOM 514 OE2 GLU A 31 11.807 1.798 8.736 1.00 0.00 O ATOM 0 H GLU A 31 9.725 -1.565 4.917 1.00 0.00 H new ATOM 0 HA GLU A 31 10.856 -2.676 7.389 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.278 -0.097 6.459 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.990 -0.430 7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.725 -1.070 9.302 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.971 -0.606 8.161 1.00 0.00 H new ATOM 521 N LEU A 32 8.647 -3.259 8.600 1.00 0.00 N ATOM 522 CA LEU A 32 7.462 -3.940 9.108 1.00 0.00 C ATOM 523 C LEU A 32 7.103 -3.483 10.516 1.00 0.00 C ATOM 524 O LEU A 32 7.790 -3.811 11.483 1.00 0.00 O ATOM 525 CB LEU A 32 7.696 -5.452 9.095 1.00 0.00 C ATOM 526 CG LEU A 32 6.441 -6.337 9.184 1.00 0.00 C ATOM 527 CD1 LEU A 32 6.836 -7.782 9.445 1.00 0.00 C ATOM 528 CD2 LEU A 32 5.497 -5.844 10.274 1.00 0.00 C ATOM 0 H LEU A 32 9.385 -3.117 9.289 1.00 0.00 H new ATOM 0 HA LEU A 32 6.625 -3.686 8.457 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.231 -5.708 8.180 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.352 -5.704 9.928 1.00 0.00 H new ATOM 0 HG LEU A 32 5.916 -6.278 8.230 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.939 -8.399 9.506 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.468 -8.139 8.632 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.385 -7.845 10.385 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.619 -6.489 10.314 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.008 -5.868 11.236 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.187 -4.823 10.053 1.00 0.00 H new ATOM 540 N THR A 33 6.000 -2.752 10.624 1.00 0.00 N ATOM 541 CA THR A 33 5.516 -2.278 11.915 1.00 0.00 C ATOM 542 C THR A 33 4.051 -2.664 12.063 1.00 0.00 C ATOM 543 O THR A 33 3.349 -2.830 11.066 1.00 0.00 O ATOM 544 CB THR A 33 5.675 -0.760 12.022 1.00 0.00 C ATOM 545 OG1 THR A 33 5.428 -0.141 10.772 1.00 0.00 O ATOM 546 CG2 THR A 33 7.052 -0.334 12.482 1.00 0.00 C ATOM 0 H THR A 33 5.422 -2.474 9.831 1.00 0.00 H new ATOM 0 HA THR A 33 6.100 -2.737 12.712 1.00 0.00 H new ATOM 0 HB THR A 33 4.947 -0.445 12.769 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.533 0.829 10.861 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.097 0.754 12.536 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.253 -0.755 13.467 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.799 -0.693 11.774 1.00 0.00 H new ATOM 554 N PRO A 34 3.555 -2.807 13.298 1.00 0.00 N ATOM 555 CA PRO A 34 2.158 -3.167 13.534 1.00 0.00 C ATOM 556 C PRO A 34 1.233 -2.003 13.232 1.00 0.00 C ATOM 557 O PRO A 34 0.432 -1.591 14.072 1.00 0.00 O ATOM 558 CB PRO A 34 2.124 -3.518 15.015 1.00 0.00 C ATOM 559 CG PRO A 34 3.257 -2.760 15.622 1.00 0.00 C ATOM 560 CD PRO A 34 4.306 -2.617 14.549 1.00 0.00 C ATOM 0 HA PRO A 34 1.821 -3.983 12.896 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.173 -3.233 15.466 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.241 -4.591 15.168 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.925 -1.782 15.972 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.657 -3.289 16.487 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.784 -1.638 14.584 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.095 -3.361 14.659 1.00 0.00 H new ATOM 568 N GLU A 35 1.369 -1.474 12.025 1.00 0.00 N ATOM 569 CA GLU A 35 0.577 -0.341 11.580 1.00 0.00 C ATOM 570 C GLU A 35 0.640 -0.183 10.062 1.00 0.00 C ATOM 571 O GLU A 35 -0.346 0.201 9.433 1.00 0.00 O ATOM 572 CB GLU A 35 1.090 0.941 12.244 1.00 0.00 C ATOM 573 CG GLU A 35 0.917 0.961 13.753 1.00 0.00 C ATOM 574 CD GLU A 35 1.072 2.350 14.340 1.00 0.00 C ATOM 575 OE1 GLU A 35 2.218 2.841 14.407 1.00 0.00 O ATOM 576 OE2 GLU A 35 0.047 2.947 14.732 1.00 0.00 O ATOM 0 H GLU A 35 2.030 -1.818 11.329 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.459 -0.521 11.866 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.147 1.064 12.007 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.566 1.796 11.816 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.069 0.571 14.007 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.650 0.295 14.208 1.00 0.00 H new ATOM 583 N ARG A 36 1.805 -0.464 9.474 1.00 0.00 N ATOM 584 CA ARG A 36 1.976 -0.330 8.037 1.00 0.00 C ATOM 585 C ARG A 36 3.288 -0.927 7.556 1.00 0.00 C ATOM 586 O ARG A 36 4.177 -1.247 8.345 1.00 0.00 O ATOM 587 CB ARG A 36 1.935 1.146 7.634 1.00 0.00 C ATOM 588 CG ARG A 36 2.792 2.036 8.518 1.00 0.00 C ATOM 589 CD ARG A 36 2.549 3.509 8.238 1.00 0.00 C ATOM 590 NE ARG A 36 3.791 4.223 7.953 1.00 0.00 N ATOM 591 CZ ARG A 36 3.923 5.546 8.038 1.00 0.00 C ATOM 592 NH1 ARG A 36 2.891 6.300 8.396 1.00 0.00 N ATOM 593 NH2 ARG A 36 5.089 6.114 7.764 1.00 0.00 N ATOM 0 H ARG A 36 2.636 -0.783 9.972 1.00 0.00 H new ATOM 0 HA ARG A 36 1.156 -0.876 7.571 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.269 1.242 6.601 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.903 1.496 7.669 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.576 1.824 9.565 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.845 1.804 8.356 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.870 3.610 7.391 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.057 3.965 9.097 1.00 0.00 H new ATOM 0 HE ARG A 36 4.605 3.676 7.672 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.992 5.867 8.607 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.997 7.312 8.460 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.884 5.538 7.488 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.191 7.127 7.829 1.00 0.00 H new ATOM 607 N GLY A 37 3.403 -1.030 6.238 1.00 0.00 N ATOM 608 CA GLY A 37 4.607 -1.536 5.623 1.00 0.00 C ATOM 609 C GLY A 37 5.284 -0.430 4.836 1.00 0.00 C ATOM 610 O GLY A 37 4.611 0.466 4.334 1.00 0.00 O ATOM 0 H GLY A 37 2.670 -0.767 5.579 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.284 -1.918 6.387 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.367 -2.370 4.964 1.00 0.00 H new ATOM 614 N PHE A 38 6.604 -0.462 4.739 1.00 0.00 N ATOM 615 CA PHE A 38 7.331 0.575 4.022 1.00 0.00 C ATOM 616 C PHE A 38 8.259 -0.042 2.992 1.00 0.00 C ATOM 617 O PHE A 38 9.184 -0.774 3.336 1.00 0.00 O ATOM 618 CB PHE A 38 8.115 1.414 5.030 1.00 0.00 C ATOM 619 CG PHE A 38 8.937 2.524 4.431 1.00 0.00 C ATOM 620 CD1 PHE A 38 8.326 3.602 3.808 1.00 0.00 C ATOM 621 CD2 PHE A 38 10.323 2.507 4.521 1.00 0.00 C ATOM 622 CE1 PHE A 38 9.078 4.637 3.288 1.00 0.00 C ATOM 623 CE2 PHE A 38 11.078 3.536 3.996 1.00 0.00 C ATOM 624 CZ PHE A 38 10.455 4.604 3.379 1.00 0.00 C ATOM 0 H PHE A 38 7.191 -1.190 5.145 1.00 0.00 H new ATOM 0 HA PHE A 38 6.628 1.216 3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.414 1.846 5.744 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.777 0.755 5.592 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.249 3.632 3.729 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.816 1.678 5.008 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.589 5.473 2.810 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.155 3.507 4.067 1.00 0.00 H new ATOM 0 HZ PHE A 38 11.044 5.411 2.969 1.00 0.00 H new ATOM 634 N ILE A 39 8.010 0.265 1.727 1.00 0.00 N ATOM 635 CA ILE A 39 8.834 -0.259 0.643 1.00 0.00 C ATOM 636 C ILE A 39 9.218 0.873 -0.302 1.00 0.00 C ATOM 637 O ILE A 39 8.399 1.317 -1.108 1.00 0.00 O ATOM 638 CB ILE A 39 8.110 -1.363 -0.175 1.00 0.00 C ATOM 639 CG1 ILE A 39 7.212 -2.237 0.728 1.00 0.00 C ATOM 640 CG2 ILE A 39 9.136 -2.223 -0.913 1.00 0.00 C ATOM 641 CD1 ILE A 39 6.826 -3.576 0.124 1.00 0.00 C ATOM 0 H ILE A 39 7.248 0.872 1.425 1.00 0.00 H new ATOM 0 HA ILE A 39 9.718 -0.703 1.101 1.00 0.00 H new ATOM 0 HB ILE A 39 7.463 -0.877 -0.906 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.729 -2.414 1.671 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.303 -1.682 0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.620 -2.995 -1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.716 -1.596 -1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.805 -2.692 -0.191 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.196 -4.123 0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.278 -3.412 -0.804 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.726 -4.155 -0.083 1.00 0.00 H new ATOM 704 N SER A 44 10.906 7.019 -5.084 1.00 0.00 N ATOM 705 CA SER A 44 9.506 6.613 -5.017 1.00 0.00 C ATOM 706 C SER A 44 9.309 5.694 -3.810 1.00 0.00 C ATOM 707 O SER A 44 10.273 5.106 -3.320 1.00 0.00 O ATOM 708 CB SER A 44 9.108 5.900 -6.315 1.00 0.00 C ATOM 709 OG SER A 44 10.229 5.274 -6.914 1.00 0.00 O ATOM 0 HA SER A 44 8.870 7.490 -4.902 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.340 5.155 -6.105 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.673 6.618 -7.010 1.00 0.00 H new ATOM 0 HG SER A 44 11.051 5.704 -6.599 1.00 0.00 H new ATOM 715 N ASN A 45 8.075 5.573 -3.310 1.00 0.00 N ATOM 716 CA ASN A 45 7.821 4.726 -2.148 1.00 0.00 C ATOM 717 C ASN A 45 6.383 4.224 -2.145 1.00 0.00 C ATOM 718 O ASN A 45 5.544 4.716 -2.899 1.00 0.00 O ATOM 719 CB ASN A 45 8.090 5.489 -0.838 1.00 0.00 C ATOM 720 CG ASN A 45 9.135 6.587 -0.973 1.00 0.00 C ATOM 721 OD1 ASN A 45 9.054 7.437 -1.860 1.00 0.00 O ATOM 722 ND2 ASN A 45 10.115 6.584 -0.077 1.00 0.00 N ATOM 0 H ASN A 45 7.252 6.043 -3.686 1.00 0.00 H new ATOM 0 HA ASN A 45 8.500 3.876 -2.213 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.157 5.929 -0.486 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.416 4.781 -0.076 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.837 7.304 -0.108 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.146 5.862 0.642 1.00 0.00 H new ATOM 729 N CYS A 46 6.098 3.252 -1.283 1.00 0.00 N ATOM 730 CA CYS A 46 4.755 2.703 -1.180 1.00 0.00 C ATOM 731 C CYS A 46 4.491 2.197 0.235 1.00 0.00 C ATOM 732 O CYS A 46 4.957 1.124 0.619 1.00 0.00 O ATOM 733 CB CYS A 46 4.565 1.570 -2.188 1.00 0.00 C ATOM 734 SG CYS A 46 2.930 0.798 -2.135 1.00 0.00 S ATOM 0 H CYS A 46 6.778 2.832 -0.649 1.00 0.00 H new ATOM 0 HA CYS A 46 4.041 3.496 -1.405 1.00 0.00 H new ATOM 0 HB2 CYS A 46 4.739 1.958 -3.192 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.321 0.806 -2.006 1.00 0.00 H new ATOM 0 HG CYS A 46 2.272 1.101 -3.214 1.00 0.00 H new ATOM 740 N GLU A 47 3.744 2.978 1.005 1.00 0.00 N ATOM 741 CA GLU A 47 3.418 2.617 2.379 1.00 0.00 C ATOM 742 C GLU A 47 1.971 2.146 2.466 1.00 0.00 C ATOM 743 O GLU A 47 1.130 2.567 1.671 1.00 0.00 O ATOM 744 CB GLU A 47 3.642 3.828 3.292 1.00 0.00 C ATOM 745 CG GLU A 47 4.085 3.492 4.713 1.00 0.00 C ATOM 746 CD GLU A 47 4.876 4.616 5.351 1.00 0.00 C ATOM 747 OE1 GLU A 47 4.484 5.790 5.180 1.00 0.00 O ATOM 748 OE2 GLU A 47 5.889 4.324 6.021 1.00 0.00 O ATOM 0 H GLU A 47 3.351 3.869 0.700 1.00 0.00 H new ATOM 0 HA GLU A 47 4.066 1.803 2.703 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.393 4.473 2.836 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.717 4.402 3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.208 3.277 5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.692 2.587 4.697 1.00 0.00 H new ATOM 755 N LEU A 48 1.676 1.270 3.424 1.00 0.00 N ATOM 756 CA LEU A 48 0.314 0.765 3.570 1.00 0.00 C ATOM 757 C LEU A 48 -0.083 0.632 5.025 1.00 0.00 C ATOM 758 O LEU A 48 0.565 -0.074 5.786 1.00 0.00 O ATOM 759 CB LEU A 48 0.127 -0.585 2.860 1.00 0.00 C ATOM 760 CG LEU A 48 1.331 -1.538 2.879 1.00 0.00 C ATOM 761 CD1 LEU A 48 0.974 -2.858 2.205 1.00 0.00 C ATOM 762 CD2 LEU A 48 2.535 -0.908 2.193 1.00 0.00 C ATOM 0 H LEU A 48 2.347 0.901 4.098 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.337 1.500 3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.721 -1.096 3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.139 -0.391 1.821 1.00 0.00 H new ATOM 0 HG LEU A 48 1.592 -1.732 3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.838 -3.523 2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.144 -3.324 2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.685 -2.672 1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.374 -1.603 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.285 -0.681 1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.809 0.011 2.710 1.00 0.00 H new ATOM 774 N LEU A 49 -1.181 1.284 5.393 1.00 0.00 N ATOM 775 CA LEU A 49 -1.689 1.205 6.763 1.00 0.00 C ATOM 776 C LEU A 49 -2.654 0.042 6.857 1.00 0.00 C ATOM 777 O LEU A 49 -3.543 -0.097 6.018 1.00 0.00 O ATOM 778 CB LEU A 49 -2.382 2.502 7.184 1.00 0.00 C ATOM 779 CG LEU A 49 -2.432 2.742 8.697 1.00 0.00 C ATOM 780 CD1 LEU A 49 -1.365 3.740 9.117 1.00 0.00 C ATOM 781 CD2 LEU A 49 -3.812 3.231 9.111 1.00 0.00 C ATOM 0 H LEU A 49 -1.735 1.870 4.768 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.849 1.054 7.440 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.869 3.341 6.714 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.401 2.495 6.798 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.233 1.797 9.202 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.417 3.897 10.194 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.381 3.353 8.854 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.531 4.687 8.604 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.831 3.397 10.188 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.037 4.165 8.596 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.558 2.482 8.846 1.00 0.00 H new ATOM 793 N ALA A 50 -2.461 -0.821 7.844 1.00 0.00 N ATOM 794 CA ALA A 50 -3.314 -1.987 7.967 1.00 0.00 C ATOM 795 C ALA A 50 -3.800 -2.246 9.385 1.00 0.00 C ATOM 796 O ALA A 50 -3.052 -2.705 10.248 1.00 0.00 O ATOM 797 CB ALA A 50 -2.591 -3.195 7.411 1.00 0.00 C ATOM 0 H ALA A 50 -1.736 -0.737 8.556 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.216 -1.789 7.387 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.229 -4.074 7.501 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.354 -3.025 6.361 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.669 -3.356 7.970 1.00 0.00 H new ATOM 803 N HIS A 51 -5.086 -1.982 9.590 1.00 0.00 N ATOM 804 CA HIS A 51 -5.738 -2.213 10.862 1.00 0.00 C ATOM 805 C HIS A 51 -6.724 -3.374 10.707 1.00 0.00 C ATOM 806 O HIS A 51 -7.390 -3.500 9.681 1.00 0.00 O ATOM 807 CB HIS A 51 -6.444 -0.934 11.344 1.00 0.00 C ATOM 808 CG HIS A 51 -7.161 -1.070 12.665 1.00 0.00 C ATOM 809 ND1 HIS A 51 -6.981 -0.175 13.701 1.00 0.00 N ATOM 810 CD2 HIS A 51 -8.066 -1.981 13.119 1.00 0.00 C ATOM 811 CE1 HIS A 51 -7.737 -0.527 14.725 1.00 0.00 C ATOM 812 NE2 HIS A 51 -8.404 -1.615 14.398 1.00 0.00 N ATOM 0 H HIS A 51 -5.703 -1.601 8.872 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.998 -2.477 11.618 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.705 -0.137 11.427 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.163 -0.624 10.586 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -8.447 -2.832 12.574 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.798 -0.010 15.671 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -9.066 -2.107 14.999 1.00 0.00 H new ATOM 821 N PRO A 52 -6.800 -4.247 11.720 1.00 0.00 N ATOM 822 CA PRO A 52 -7.666 -5.431 11.735 1.00 0.00 C ATOM 823 C PRO A 52 -9.014 -5.253 11.033 1.00 0.00 C ATOM 824 O PRO A 52 -9.651 -6.243 10.673 1.00 0.00 O ATOM 825 CB PRO A 52 -7.863 -5.668 13.229 1.00 0.00 C ATOM 826 CG PRO A 52 -6.580 -5.222 13.846 1.00 0.00 C ATOM 827 CD PRO A 52 -6.010 -4.149 12.947 1.00 0.00 C ATOM 0 HA PRO A 52 -7.214 -6.257 11.186 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.709 -5.098 13.614 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.063 -6.718 13.442 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.749 -4.834 14.851 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.885 -6.057 13.939 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.100 -3.162 13.400 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -4.950 -4.315 12.752 1.00 0.00 H new ATOM 835 N ASP A 53 -9.458 -4.013 10.834 1.00 0.00 N ATOM 836 CA ASP A 53 -10.733 -3.779 10.172 1.00 0.00 C ATOM 837 C ASP A 53 -10.643 -2.687 9.113 1.00 0.00 C ATOM 838 O ASP A 53 -11.599 -2.475 8.366 1.00 0.00 O ATOM 839 CB ASP A 53 -11.814 -3.431 11.196 1.00 0.00 C ATOM 840 CG ASP A 53 -13.202 -3.406 10.586 1.00 0.00 C ATOM 841 OD1 ASP A 53 -13.574 -2.367 10.000 1.00 0.00 O ATOM 842 OD2 ASP A 53 -13.917 -4.424 10.696 1.00 0.00 O ATOM 0 H ASP A 53 -8.960 -3.169 11.118 1.00 0.00 H new ATOM 0 HA ASP A 53 -11.003 -4.705 9.664 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.790 -4.159 12.007 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.595 -2.457 11.634 1.00 0.00 H new ATOM 847 N HIS A 54 -9.502 -2.012 9.011 1.00 0.00 N ATOM 848 CA HIS A 54 -9.359 -0.980 7.984 1.00 0.00 C ATOM 849 C HIS A 54 -7.947 -0.950 7.405 1.00 0.00 C ATOM 850 O HIS A 54 -7.003 -1.415 8.040 1.00 0.00 O ATOM 851 CB HIS A 54 -9.760 0.400 8.513 1.00 0.00 C ATOM 852 CG HIS A 54 -8.975 0.862 9.699 1.00 0.00 C ATOM 853 ND1 HIS A 54 -7.801 1.578 9.590 1.00 0.00 N ATOM 854 CD2 HIS A 54 -9.210 0.727 11.026 1.00 0.00 C ATOM 855 CE1 HIS A 54 -7.348 1.864 10.798 1.00 0.00 C ATOM 856 NE2 HIS A 54 -8.185 1.360 11.687 1.00 0.00 N ATOM 0 H HIS A 54 -8.685 -2.152 9.605 1.00 0.00 H new ATOM 0 HA HIS A 54 -10.043 -1.240 7.176 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.646 1.130 7.711 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.817 0.380 8.778 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -10.047 0.217 11.480 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -6.447 2.416 11.021 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -8.086 1.429 12.700 1.00 0.00 H new ATOM 865 N VAL A 55 -7.806 -0.411 6.189 1.00 0.00 N ATOM 866 CA VAL A 55 -6.508 -0.342 5.537 1.00 0.00 C ATOM 867 C VAL A 55 -6.348 0.969 4.770 1.00 0.00 C ATOM 868 O VAL A 55 -7.264 1.415 4.079 1.00 0.00 O ATOM 869 CB VAL A 55 -6.306 -1.542 4.581 1.00 0.00 C ATOM 870 CG1 VAL A 55 -6.888 -1.270 3.199 1.00 0.00 C ATOM 871 CG2 VAL A 55 -4.834 -1.915 4.480 1.00 0.00 C ATOM 0 H VAL A 55 -8.575 -0.020 5.645 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.746 -0.383 6.315 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.848 -2.387 5.005 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.725 -2.137 2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.958 -1.079 3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.398 -0.400 2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.719 -2.761 3.802 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.269 -1.065 4.099 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.459 -2.187 5.467 1.00 0.00 H new ATOM 881 N LEU A 56 -5.174 1.569 4.891 1.00 0.00 N ATOM 882 CA LEU A 56 -4.873 2.824 4.204 1.00 0.00 C ATOM 883 C LEU A 56 -3.720 2.614 3.228 1.00 0.00 C ATOM 884 O LEU A 56 -2.830 1.800 3.472 1.00 0.00 O ATOM 885 CB LEU A 56 -4.520 3.931 5.219 1.00 0.00 C ATOM 886 CG LEU A 56 -5.487 5.120 5.304 1.00 0.00 C ATOM 887 CD1 LEU A 56 -5.069 6.059 6.430 1.00 0.00 C ATOM 888 CD2 LEU A 56 -5.552 5.881 3.986 1.00 0.00 C ATOM 0 H LEU A 56 -4.408 1.208 5.460 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.757 3.140 3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.451 3.477 6.208 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.529 4.314 4.974 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.482 4.727 5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.763 6.898 6.480 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.083 5.520 7.377 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.062 6.431 6.239 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.246 6.716 4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.561 6.259 3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.896 5.213 3.197 1.00 0.00 H new ATOM 900 N MET A 57 -3.749 3.337 2.115 1.00 0.00 N ATOM 901 CA MET A 57 -2.708 3.209 1.101 1.00 0.00 C ATOM 902 C MET A 57 -2.143 4.574 0.714 1.00 0.00 C ATOM 903 O MET A 57 -2.846 5.401 0.137 1.00 0.00 O ATOM 904 CB MET A 57 -3.279 2.485 -0.119 1.00 0.00 C ATOM 905 CG MET A 57 -4.176 1.319 0.265 1.00 0.00 C ATOM 906 SD MET A 57 -4.818 0.433 -1.168 1.00 0.00 S ATOM 907 CE MET A 57 -6.577 0.677 -0.952 1.00 0.00 C ATOM 0 H MET A 57 -4.478 4.015 1.892 1.00 0.00 H new ATOM 0 HA MET A 57 -1.884 2.625 1.510 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.846 3.192 -0.725 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.459 2.120 -0.738 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.616 0.627 0.894 1.00 0.00 H new ATOM 0 HG3 MET A 57 -5.010 1.689 0.862 1.00 0.00 H new ATOM 0 HE1 MET A 57 -7.107 0.295 -1.824 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.912 0.144 -0.062 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.785 1.741 -0.838 1.00 0.00 H new ATOM 917 N ILE A 58 -0.865 4.805 1.034 1.00 0.00 N ATOM 918 CA ILE A 58 -0.218 6.066 0.717 1.00 0.00 C ATOM 919 C ILE A 58 1.048 5.830 -0.097 1.00 0.00 C ATOM 920 O ILE A 58 1.834 4.933 0.207 1.00 0.00 O ATOM 921 CB ILE A 58 0.162 6.847 1.993 1.00 0.00 C ATOM 922 CG1 ILE A 58 -1.050 6.993 2.928 1.00 0.00 C ATOM 923 CG2 ILE A 58 0.741 8.204 1.617 1.00 0.00 C ATOM 924 CD1 ILE A 58 -1.347 8.421 3.354 1.00 0.00 C ATOM 0 H ILE A 58 -0.266 4.131 1.511 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.933 6.651 0.139 1.00 0.00 H new ATOM 0 HB ILE A 58 0.924 6.287 2.535 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.929 6.585 2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.881 6.389 3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.007 8.750 2.522 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.631 8.063 1.004 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.000 8.773 1.055 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.216 8.431 4.011 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.486 8.829 3.884 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.551 9.029 2.472 1.00 0.00 H new ATOM 936 N LEU A 59 1.248 6.646 -1.124 1.00 0.00 N ATOM 937 CA LEU A 59 2.429 6.523 -1.965 1.00 0.00 C ATOM 938 C LEU A 59 3.250 7.801 -1.942 1.00 0.00 C ATOM 939 O LEU A 59 2.703 8.899 -1.905 1.00 0.00 O ATOM 940 CB LEU A 59 2.037 6.181 -3.414 1.00 0.00 C ATOM 941 CG LEU A 59 1.558 7.344 -4.298 1.00 0.00 C ATOM 942 CD1 LEU A 59 0.359 8.022 -3.672 1.00 0.00 C ATOM 943 CD2 LEU A 59 2.666 8.356 -4.558 1.00 0.00 C ATOM 0 H LEU A 59 0.611 7.396 -1.393 1.00 0.00 H new ATOM 0 HA LEU A 59 3.036 5.711 -1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.897 5.719 -3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.247 5.430 -3.384 1.00 0.00 H new ATOM 0 HG LEU A 59 1.268 6.925 -5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.031 8.843 -4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.451 7.301 -3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.632 8.411 -2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.284 9.160 -5.186 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.011 8.769 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.497 7.864 -5.064 1.00 0.00 H new ATOM 955 N ASN A 60 4.563 7.653 -2.007 1.00 0.00 N ATOM 956 CA ASN A 60 5.453 8.800 -2.048 1.00 0.00 C ATOM 957 C ASN A 60 6.272 8.722 -3.325 1.00 0.00 C ATOM 958 O ASN A 60 7.205 7.929 -3.421 1.00 0.00 O ATOM 959 CB ASN A 60 6.375 8.825 -0.826 1.00 0.00 C ATOM 960 CG ASN A 60 5.644 8.511 0.466 1.00 0.00 C ATOM 961 OD1 ASN A 60 5.485 9.376 1.327 1.00 0.00 O ATOM 962 ND2 ASN A 60 5.199 7.268 0.612 1.00 0.00 N ATOM 0 H ASN A 60 5.036 6.749 -2.032 1.00 0.00 H new ATOM 0 HA ASN A 60 4.865 9.718 -2.032 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.179 8.103 -0.968 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.839 9.808 -0.746 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.704 7.000 1.463 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.352 6.581 -0.127 1.00 0.00 H new ATOM 969 N SER A 61 5.906 9.523 -4.319 1.00 0.00 N ATOM 970 CA SER A 61 6.622 9.481 -5.598 1.00 0.00 C ATOM 971 C SER A 61 6.680 10.845 -6.294 1.00 0.00 C ATOM 972 O SER A 61 5.682 11.560 -6.378 1.00 0.00 O ATOM 973 CB SER A 61 5.970 8.458 -6.529 1.00 0.00 C ATOM 974 OG SER A 61 5.135 7.570 -5.809 1.00 0.00 O ATOM 0 H SER A 61 5.139 10.194 -4.273 1.00 0.00 H new ATOM 0 HA SER A 61 7.648 9.189 -5.375 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.385 8.975 -7.290 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.742 7.893 -7.051 1.00 0.00 H new ATOM 0 HG SER A 61 5.683 7.010 -5.221 1.00 0.00 H new ATOM 980 N PRO A 62 7.874 11.211 -6.801 1.00 0.00 N ATOM 981 CA PRO A 62 8.114 12.486 -7.500 1.00 0.00 C ATOM 982 C PRO A 62 7.373 12.630 -8.825 1.00 0.00 C ATOM 983 O PRO A 62 7.352 13.716 -9.406 1.00 0.00 O ATOM 984 CB PRO A 62 9.619 12.465 -7.750 1.00 0.00 C ATOM 985 CG PRO A 62 9.985 11.025 -7.746 1.00 0.00 C ATOM 986 CD PRO A 62 9.103 10.405 -6.714 1.00 0.00 C ATOM 0 HA PRO A 62 7.753 13.324 -6.903 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.868 12.934 -8.702 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.156 13.012 -6.975 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.824 10.574 -8.725 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.038 10.886 -7.500 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.912 9.353 -6.926 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.548 10.454 -5.720 1.00 0.00 H new ATOM 994 N ASP A 63 6.769 11.554 -9.316 1.00 0.00 N ATOM 995 CA ASP A 63 6.046 11.624 -10.579 1.00 0.00 C ATOM 996 C ASP A 63 4.771 10.781 -10.517 1.00 0.00 C ATOM 997 O ASP A 63 4.727 9.774 -9.812 1.00 0.00 O ATOM 998 CB ASP A 63 6.954 11.169 -11.730 1.00 0.00 C ATOM 999 CG ASP A 63 6.194 10.925 -13.020 1.00 0.00 C ATOM 1000 OD1 ASP A 63 5.995 11.894 -13.784 1.00 0.00 O ATOM 1001 OD2 ASP A 63 5.798 9.768 -13.267 1.00 0.00 O ATOM 0 H ASP A 63 6.765 10.638 -8.868 1.00 0.00 H new ATOM 0 HA ASP A 63 5.752 12.658 -10.761 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.720 11.925 -11.903 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.470 10.254 -11.439 1.00 0.00 H new ATOM 1006 N GLU A 64 3.729 11.195 -11.242 1.00 0.00 N ATOM 1007 CA GLU A 64 2.461 10.441 -11.221 1.00 0.00 C ATOM 1008 C GLU A 64 2.653 9.004 -11.700 1.00 0.00 C ATOM 1009 O GLU A 64 2.096 8.083 -11.108 1.00 0.00 O ATOM 1010 CB GLU A 64 1.345 11.123 -12.024 1.00 0.00 C ATOM 1011 CG GLU A 64 0.527 12.088 -11.181 1.00 0.00 C ATOM 1012 CD GLU A 64 1.075 13.502 -11.215 1.00 0.00 C ATOM 1013 OE1 GLU A 64 1.596 13.912 -12.273 1.00 0.00 O ATOM 1014 OE2 GLU A 64 0.981 14.199 -10.183 1.00 0.00 O ATOM 0 H GLU A 64 3.729 12.024 -11.837 1.00 0.00 H new ATOM 0 HA GLU A 64 2.145 10.424 -10.178 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.783 11.661 -12.864 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.686 10.362 -12.442 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.503 12.093 -11.538 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.506 11.735 -10.150 1.00 0.00 H new ATOM 1021 N ASP A 65 3.451 8.792 -12.752 1.00 0.00 N ATOM 1022 CA ASP A 65 3.694 7.433 -13.238 1.00 0.00 C ATOM 1023 C ASP A 65 4.075 6.552 -12.060 1.00 0.00 C ATOM 1024 O ASP A 65 3.434 5.540 -11.783 1.00 0.00 O ATOM 1025 CB ASP A 65 4.820 7.434 -14.264 1.00 0.00 C ATOM 1026 CG ASP A 65 4.901 6.134 -15.040 1.00 0.00 C ATOM 1027 OD1 ASP A 65 4.692 5.065 -14.430 1.00 0.00 O ATOM 1028 OD2 ASP A 65 5.172 6.186 -16.258 1.00 0.00 O ATOM 0 H ASP A 65 3.930 9.527 -13.272 1.00 0.00 H new ATOM 0 HA ASP A 65 2.791 7.050 -13.713 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.672 8.260 -14.960 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.769 7.610 -13.757 1.00 0.00 H new ATOM 1033 N SER A 66 5.096 6.998 -11.338 1.00 0.00 N ATOM 1034 CA SER A 66 5.547 6.309 -10.138 1.00 0.00 C ATOM 1035 C SER A 66 4.408 6.307 -9.126 1.00 0.00 C ATOM 1036 O SER A 66 3.947 5.261 -8.673 1.00 0.00 O ATOM 1037 CB SER A 66 6.763 7.024 -9.548 1.00 0.00 C ATOM 1038 OG SER A 66 7.908 6.842 -10.363 1.00 0.00 O ATOM 0 H SER A 66 5.628 7.838 -11.565 1.00 0.00 H new ATOM 0 HA SER A 66 5.832 5.286 -10.384 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.550 8.088 -9.448 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.962 6.643 -8.546 1.00 0.00 H new ATOM 0 HG SER A 66 8.671 7.310 -9.964 1.00 0.00 H new ATOM 1044 N LEU A 67 3.958 7.512 -8.809 1.00 0.00 N ATOM 1045 CA LEU A 67 2.858 7.750 -7.877 1.00 0.00 C ATOM 1046 C LEU A 67 1.736 6.728 -8.056 1.00 0.00 C ATOM 1047 O LEU A 67 1.409 5.990 -7.128 1.00 0.00 O ATOM 1048 CB LEU A 67 2.348 9.188 -8.109 1.00 0.00 C ATOM 1049 CG LEU A 67 0.996 9.586 -7.506 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.775 11.078 -7.675 1.00 0.00 C ATOM 1051 CD2 LEU A 67 -0.158 8.820 -8.135 1.00 0.00 C ATOM 0 H LEU A 67 4.352 8.369 -9.197 1.00 0.00 H new ATOM 0 HA LEU A 67 3.211 7.637 -6.852 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.100 9.874 -7.720 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.293 9.352 -9.185 1.00 0.00 H new ATOM 0 HG LEU A 67 1.022 9.332 -6.446 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.187 11.354 -7.244 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.570 11.623 -7.167 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.784 11.329 -8.736 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.096 9.134 -7.677 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.190 9.025 -9.205 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.016 7.751 -7.974 1.00 0.00 H new ATOM 1063 N ALA A 68 1.150 6.681 -9.243 1.00 0.00 N ATOM 1064 CA ALA A 68 0.070 5.742 -9.509 1.00 0.00 C ATOM 1065 C ALA A 68 0.588 4.311 -9.468 1.00 0.00 C ATOM 1066 O ALA A 68 -0.089 3.410 -8.977 1.00 0.00 O ATOM 1067 CB ALA A 68 -0.575 6.040 -10.854 1.00 0.00 C ATOM 0 H ALA A 68 1.401 7.277 -10.032 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.687 5.856 -8.733 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.380 5.329 -11.037 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.979 7.052 -10.847 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.172 5.953 -11.643 1.00 0.00 H new ATOM 1073 N HIS A 69 1.803 4.112 -9.974 1.00 0.00 N ATOM 1074 CA HIS A 69 2.416 2.789 -9.980 1.00 0.00 C ATOM 1075 C HIS A 69 2.424 2.214 -8.569 1.00 0.00 C ATOM 1076 O HIS A 69 2.236 1.015 -8.368 1.00 0.00 O ATOM 1077 CB HIS A 69 3.847 2.864 -10.519 1.00 0.00 C ATOM 1078 CG HIS A 69 4.478 1.521 -10.723 1.00 0.00 C ATOM 1079 ND1 HIS A 69 5.781 1.358 -11.144 1.00 0.00 N ATOM 1080 CD2 HIS A 69 3.978 0.273 -10.563 1.00 0.00 C ATOM 1081 CE1 HIS A 69 6.055 0.069 -11.233 1.00 0.00 C ATOM 1082 NE2 HIS A 69 4.978 -0.611 -10.884 1.00 0.00 N ATOM 0 H HIS A 69 2.379 4.848 -10.383 1.00 0.00 H new ATOM 0 HA HIS A 69 1.832 2.138 -10.630 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.842 3.403 -11.467 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.458 3.443 -9.826 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.978 0.020 -10.242 1.00 0.00 H new ATOM 0 HE1 HIS A 69 6.999 -0.357 -11.539 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.902 -1.628 -10.857 1.00 0.00 H new ATOM 1091 N MET A 70 2.643 3.091 -7.596 1.00 0.00 N ATOM 1092 CA MET A 70 2.681 2.696 -6.188 1.00 0.00 C ATOM 1093 C MET A 70 1.263 2.540 -5.617 1.00 0.00 C ATOM 1094 O MET A 70 0.913 1.469 -5.121 1.00 0.00 O ATOM 1095 CB MET A 70 3.475 3.732 -5.376 1.00 0.00 C ATOM 1096 CG MET A 70 4.683 4.309 -6.107 1.00 0.00 C ATOM 1097 SD MET A 70 6.245 3.633 -5.512 1.00 0.00 S ATOM 1098 CE MET A 70 6.775 2.696 -6.943 1.00 0.00 C ATOM 0 H MET A 70 2.798 4.086 -7.755 1.00 0.00 H new ATOM 0 HA MET A 70 3.178 1.728 -6.116 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.808 4.549 -5.099 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.813 3.269 -4.449 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.587 4.107 -7.174 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.692 5.392 -5.987 1.00 0.00 H new ATOM 0 HE1 MET A 70 7.731 2.217 -6.731 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.031 1.934 -7.175 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.887 3.366 -7.796 1.00 0.00 H new ATOM 1108 N GLN A 71 0.449 3.602 -5.678 1.00 0.00 N ATOM 1109 CA GLN A 71 -0.917 3.534 -5.150 1.00 0.00 C ATOM 1110 C GLN A 71 -1.708 2.381 -5.770 1.00 0.00 C ATOM 1111 O GLN A 71 -2.622 1.845 -5.144 1.00 0.00 O ATOM 1112 CB GLN A 71 -1.688 4.855 -5.338 1.00 0.00 C ATOM 1113 CG GLN A 71 -1.397 5.602 -6.624 1.00 0.00 C ATOM 1114 CD GLN A 71 -2.660 5.938 -7.393 1.00 0.00 C ATOM 1115 OE1 GLN A 71 -3.185 5.111 -8.140 1.00 0.00 O ATOM 1116 NE2 GLN A 71 -3.155 7.158 -7.216 1.00 0.00 N ATOM 0 H GLN A 71 0.707 4.503 -6.080 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.814 3.353 -4.080 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.756 4.641 -5.296 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.461 5.511 -4.498 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.859 6.522 -6.394 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.742 4.998 -7.252 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.688 7.812 -6.588 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.002 7.441 -7.709 1.00 0.00 H new ATOM 1125 N ASN A 72 -1.361 1.998 -6.997 1.00 0.00 N ATOM 1126 CA ASN A 72 -2.056 0.906 -7.675 1.00 0.00 C ATOM 1127 C ASN A 72 -1.516 -0.450 -7.229 1.00 0.00 C ATOM 1128 O ASN A 72 -2.287 -1.371 -6.954 1.00 0.00 O ATOM 1129 CB ASN A 72 -1.933 1.044 -9.192 1.00 0.00 C ATOM 1130 CG ASN A 72 -3.168 0.546 -9.918 1.00 0.00 C ATOM 1131 OD1 ASN A 72 -4.252 1.115 -9.785 1.00 0.00 O ATOM 1132 ND2 ASN A 72 -3.009 -0.522 -10.690 1.00 0.00 N ATOM 0 H ASN A 72 -0.609 2.424 -7.539 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.109 0.965 -7.401 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.762 2.090 -9.447 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.062 0.486 -9.536 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.804 -0.903 -11.203 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.092 -0.961 -10.770 1.00 0.00 H new ATOM 1139 N VAL A 73 -0.188 -0.570 -7.155 1.00 0.00 N ATOM 1140 CA VAL A 73 0.452 -1.815 -6.736 1.00 0.00 C ATOM 1141 C VAL A 73 -0.262 -2.406 -5.522 1.00 0.00 C ATOM 1142 O VAL A 73 -0.493 -3.613 -5.448 1.00 0.00 O ATOM 1143 CB VAL A 73 1.948 -1.586 -6.413 1.00 0.00 C ATOM 1144 CG1 VAL A 73 2.488 -2.648 -5.464 1.00 0.00 C ATOM 1145 CG2 VAL A 73 2.766 -1.552 -7.694 1.00 0.00 C ATOM 0 H VAL A 73 0.464 0.182 -7.380 1.00 0.00 H new ATOM 0 HA VAL A 73 0.381 -2.522 -7.563 1.00 0.00 H new ATOM 0 HB VAL A 73 2.035 -0.622 -5.911 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.541 -2.453 -5.261 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.927 -2.620 -4.530 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.383 -3.632 -5.921 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.816 -1.390 -7.451 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.657 -2.500 -8.220 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.412 -0.741 -8.330 1.00 0.00 H new ATOM 1155 N VAL A 74 -0.622 -1.540 -4.583 1.00 0.00 N ATOM 1156 CA VAL A 74 -1.327 -1.969 -3.378 1.00 0.00 C ATOM 1157 C VAL A 74 -2.746 -2.421 -3.721 1.00 0.00 C ATOM 1158 O VAL A 74 -3.191 -3.474 -3.267 1.00 0.00 O ATOM 1159 CB VAL A 74 -1.388 -0.846 -2.323 1.00 0.00 C ATOM 1160 CG1 VAL A 74 -2.216 -1.268 -1.115 1.00 0.00 C ATOM 1161 CG2 VAL A 74 0.012 -0.429 -1.888 1.00 0.00 C ATOM 0 H VAL A 74 -0.439 -0.538 -4.631 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.768 -2.805 -2.957 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.875 0.013 -2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.240 -0.455 -0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.232 -1.501 -1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.768 -2.150 -0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.059 0.364 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.529 -1.286 -1.457 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.569 -0.067 -2.752 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.450 -1.629 -4.540 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.808 -1.970 -4.955 1.00 0.00 C ATOM 1173 C ALA A 75 -4.879 -3.433 -5.354 1.00 0.00 C ATOM 1174 O ALA A 75 -5.904 -4.092 -5.188 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.241 -1.097 -6.125 1.00 0.00 C ATOM 0 H ALA A 75 -3.099 -0.752 -4.925 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.481 -1.794 -4.116 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.255 -1.364 -6.422 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.214 -0.049 -5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.564 -1.252 -6.965 1.00 0.00 H new ATOM 1181 N ASP A 76 -3.765 -3.929 -5.879 1.00 0.00 N ATOM 1182 CA ASP A 76 -3.675 -5.319 -6.305 1.00 0.00 C ATOM 1183 C ASP A 76 -3.613 -6.249 -5.098 1.00 0.00 C ATOM 1184 O ASP A 76 -4.255 -7.299 -5.078 1.00 0.00 O ATOM 1185 CB ASP A 76 -2.441 -5.524 -7.187 1.00 0.00 C ATOM 1186 CG ASP A 76 -2.666 -6.573 -8.259 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -3.273 -6.239 -9.299 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -2.235 -7.728 -8.059 1.00 0.00 O ATOM 0 H ASP A 76 -2.911 -3.389 -6.020 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.568 -5.558 -6.882 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.173 -4.578 -7.658 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.597 -5.820 -6.564 1.00 0.00 H new ATOM 1193 N HIS A 77 -2.833 -5.856 -4.097 1.00 0.00 N ATOM 1194 CA HIS A 77 -2.681 -6.654 -2.887 1.00 0.00 C ATOM 1195 C HIS A 77 -4.018 -6.827 -2.161 1.00 0.00 C ATOM 1196 O HIS A 77 -4.328 -7.919 -1.685 1.00 0.00 O ATOM 1197 CB HIS A 77 -1.643 -6.019 -1.957 1.00 0.00 C ATOM 1198 CG HIS A 77 -0.344 -5.714 -2.639 1.00 0.00 C ATOM 1199 ND1 HIS A 77 -0.076 -6.070 -3.944 1.00 0.00 N ATOM 1200 CD2 HIS A 77 0.769 -5.086 -2.189 1.00 0.00 C ATOM 1201 CE1 HIS A 77 1.142 -5.674 -4.267 1.00 0.00 C ATOM 1202 NE2 HIS A 77 1.676 -5.074 -3.220 1.00 0.00 N ATOM 0 H HIS A 77 -2.296 -4.989 -4.100 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.332 -7.644 -3.180 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.052 -5.098 -1.542 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.457 -6.691 -1.119 1.00 0.00 H new ATOM 0 HD2 HIS A 77 0.916 -4.672 -1.202 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.620 -5.817 -5.225 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.611 -4.667 -3.183 1.00 0.00 H new ATOM 1211 N LEU A 78 -4.814 -5.759 -2.083 1.00 0.00 N ATOM 1212 CA LEU A 78 -6.108 -5.832 -1.426 1.00 0.00 C ATOM 1213 C LEU A 78 -7.068 -6.694 -2.244 1.00 0.00 C ATOM 1214 O LEU A 78 -7.951 -7.349 -1.695 1.00 0.00 O ATOM 1215 CB LEU A 78 -6.692 -4.426 -1.228 1.00 0.00 C ATOM 1216 CG LEU A 78 -5.962 -3.534 -0.213 1.00 0.00 C ATOM 1217 CD1 LEU A 78 -6.799 -2.304 0.104 1.00 0.00 C ATOM 1218 CD2 LEU A 78 -5.652 -4.304 1.062 1.00 0.00 C ATOM 0 H LEU A 78 -4.582 -4.842 -2.465 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.973 -6.290 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.698 -3.917 -2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.731 -4.526 -0.914 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.019 -3.214 -0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.270 -1.680 0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.972 -1.736 -0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.756 -2.613 0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.135 -3.651 1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.581 -4.656 1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.017 -5.158 0.826 1.00 0.00 H new ATOM 1230 N GLN A 79 -6.881 -6.694 -3.562 1.00 0.00 N ATOM 1231 CA GLN A 79 -7.729 -7.483 -4.452 1.00 0.00 C ATOM 1232 C GLN A 79 -7.474 -8.977 -4.275 1.00 0.00 C ATOM 1233 O GLN A 79 -8.404 -9.756 -4.065 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.483 -7.100 -5.914 1.00 0.00 C ATOM 1235 CG GLN A 79 -7.822 -5.655 -6.236 1.00 0.00 C ATOM 1236 CD GLN A 79 -9.083 -5.522 -7.070 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -9.740 -6.514 -7.386 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -9.426 -4.291 -7.431 1.00 0.00 N ATOM 0 H GLN A 79 -6.153 -6.159 -4.036 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.765 -7.268 -4.190 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.435 -7.280 -6.155 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.075 -7.753 -6.555 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.946 -5.099 -5.307 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.988 -5.201 -6.771 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.852 -3.497 -7.147 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.264 -4.139 -7.993 1.00 0.00 H new ATOM 1247 N ARG A 80 -6.209 -9.369 -4.375 1.00 0.00 N ATOM 1248 CA ARG A 80 -5.824 -10.766 -4.241 1.00 0.00 C ATOM 1249 C ARG A 80 -6.274 -11.341 -2.898 1.00 0.00 C ATOM 1250 O ARG A 80 -6.605 -12.523 -2.804 1.00 0.00 O ATOM 1251 CB ARG A 80 -4.305 -10.896 -4.405 1.00 0.00 C ATOM 1252 CG ARG A 80 -3.722 -12.169 -3.812 1.00 0.00 C ATOM 1253 CD ARG A 80 -2.367 -12.497 -4.418 1.00 0.00 C ATOM 1254 NE ARG A 80 -1.816 -13.742 -3.886 1.00 0.00 N ATOM 1255 CZ ARG A 80 -2.196 -14.952 -4.292 1.00 0.00 C ATOM 1256 NH1 ARG A 80 -3.126 -15.086 -5.229 1.00 0.00 N ATOM 1257 NH2 ARG A 80 -1.643 -16.033 -3.757 1.00 0.00 N ATOM 0 H ARG A 80 -5.430 -8.734 -4.549 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.321 -11.340 -5.023 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -4.061 -10.858 -5.467 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -3.825 -10.037 -3.936 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.621 -12.056 -2.733 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.408 -12.998 -3.983 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.464 -12.577 -5.501 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.674 -11.680 -4.219 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.100 -13.680 -3.163 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.555 -14.259 -5.644 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -3.412 -16.016 -5.535 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.928 -15.936 -3.036 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -1.933 -16.961 -4.067 1.00 0.00 H new ATOM 1271 N MET A 81 -6.274 -10.510 -1.863 1.00 0.00 N ATOM 1272 CA MET A 81 -6.675 -10.962 -0.532 1.00 0.00 C ATOM 1273 C MET A 81 -8.193 -10.959 -0.358 1.00 0.00 C ATOM 1274 O MET A 81 -8.715 -11.540 0.594 1.00 0.00 O ATOM 1275 CB MET A 81 -6.012 -10.104 0.551 1.00 0.00 C ATOM 1276 CG MET A 81 -6.343 -8.616 0.485 1.00 0.00 C ATOM 1277 SD MET A 81 -8.016 -8.235 1.034 1.00 0.00 S ATOM 1278 CE MET A 81 -7.695 -6.862 2.137 1.00 0.00 C ATOM 0 H MET A 81 -6.004 -9.528 -1.916 1.00 0.00 H new ATOM 0 HA MET A 81 -6.336 -11.992 -0.426 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.310 -10.484 1.528 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.931 -10.224 0.478 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.632 -8.065 1.100 1.00 0.00 H new ATOM 0 HG3 MET A 81 -6.216 -8.267 -0.540 1.00 0.00 H new ATOM 0 HE1 MET A 81 -7.973 -7.139 3.154 1.00 0.00 H new ATOM 0 HE2 MET A 81 -6.635 -6.611 2.106 1.00 0.00 H new ATOM 0 HE3 MET A 81 -8.281 -5.998 1.823 1.00 0.00 H new ATOM 1349 N LEU A 87 -11.891 -4.678 -5.407 1.00 0.00 N ATOM 1350 CA LEU A 87 -11.498 -3.779 -4.313 1.00 0.00 C ATOM 1351 C LEU A 87 -12.143 -2.406 -4.399 1.00 0.00 C ATOM 1352 O LEU A 87 -11.725 -1.563 -5.193 1.00 0.00 O ATOM 1353 CB LEU A 87 -9.978 -3.588 -4.261 1.00 0.00 C ATOM 1354 CG LEU A 87 -9.289 -4.068 -2.981 1.00 0.00 C ATOM 1355 CD1 LEU A 87 -9.292 -2.957 -1.942 1.00 0.00 C ATOM 1356 CD2 LEU A 87 -9.944 -5.322 -2.412 1.00 0.00 C ATOM 0 HA LEU A 87 -11.852 -4.271 -3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.536 -4.113 -5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.759 -2.528 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.262 -4.326 -3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.800 -3.306 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.758 -2.091 -2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.320 -2.676 -1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.422 -5.626 -1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.988 -5.113 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.891 -6.125 -3.147 1.00 0.00 H new ATOM 1368 N GLU A 88 -13.115 -2.158 -3.538 1.00 0.00 N ATOM 1369 CA GLU A 88 -13.742 -0.853 -3.502 1.00 0.00 C ATOM 1370 C GLU A 88 -12.751 0.115 -2.876 1.00 0.00 C ATOM 1371 O GLU A 88 -12.610 0.166 -1.655 1.00 0.00 O ATOM 1372 CB GLU A 88 -15.029 -0.897 -2.680 1.00 0.00 C ATOM 1373 CG GLU A 88 -15.793 0.418 -2.672 1.00 0.00 C ATOM 1374 CD GLU A 88 -17.295 0.220 -2.733 1.00 0.00 C ATOM 1375 OE1 GLU A 88 -17.758 -0.549 -3.602 1.00 0.00 O ATOM 1376 OE2 GLU A 88 -18.008 0.835 -1.912 1.00 0.00 O ATOM 0 H GLU A 88 -13.481 -2.832 -2.866 1.00 0.00 H new ATOM 0 HA GLU A 88 -14.006 -0.534 -4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.676 -1.681 -3.075 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.785 -1.172 -1.654 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.540 0.975 -1.770 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.475 1.024 -3.521 1.00 0.00 H new ATOM 1383 N ILE A 89 -12.041 0.861 -3.713 1.00 0.00 N ATOM 1384 CA ILE A 89 -11.040 1.791 -3.217 1.00 0.00 C ATOM 1385 C ILE A 89 -11.212 3.185 -3.820 1.00 0.00 C ATOM 1386 O ILE A 89 -11.257 3.332 -5.042 1.00 0.00 O ATOM 1387 CB ILE A 89 -9.596 1.286 -3.515 1.00 0.00 C ATOM 1388 CG1 ILE A 89 -9.183 1.604 -4.957 1.00 0.00 C ATOM 1389 CG2 ILE A 89 -9.477 -0.210 -3.263 1.00 0.00 C ATOM 1390 CD1 ILE A 89 -7.788 1.140 -5.295 1.00 0.00 C ATOM 0 H ILE A 89 -12.139 0.840 -4.728 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.186 1.851 -2.138 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.923 1.811 -2.837 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.890 1.135 -5.642 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.249 2.680 -5.118 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.459 -0.536 -3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.713 -0.423 -2.220 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.174 -0.744 -3.909 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -7.560 1.396 -6.330 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -7.072 1.628 -4.634 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -7.723 0.060 -5.166 1.00 0.00 H new ATOM 1402 N ALA A 90 -11.264 4.217 -2.977 1.00 0.00 N ATOM 1403 CA ALA A 90 -11.370 5.573 -3.490 1.00 0.00 C ATOM 1404 C ALA A 90 -9.981 6.185 -3.533 1.00 0.00 C ATOM 1405 O ALA A 90 -9.370 6.437 -2.494 1.00 0.00 O ATOM 1406 CB ALA A 90 -12.305 6.427 -2.639 1.00 0.00 C ATOM 0 H ALA A 90 -11.235 4.139 -1.960 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.796 5.539 -4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.358 7.433 -3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -13.301 5.983 -2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.925 6.475 -1.618 1.00 0.00 H new ATOM 1412 N TRP A 91 -9.475 6.396 -4.738 1.00 0.00 N ATOM 1413 CA TRP A 91 -8.141 6.951 -4.911 1.00 0.00 C ATOM 1414 C TRP A 91 -8.171 8.459 -5.120 1.00 0.00 C ATOM 1415 O TRP A 91 -8.926 8.975 -5.942 1.00 0.00 O ATOM 1416 CB TRP A 91 -7.425 6.269 -6.081 1.00 0.00 C ATOM 1417 CG TRP A 91 -7.982 6.615 -7.433 1.00 0.00 C ATOM 1418 CD1 TRP A 91 -9.245 7.050 -7.724 1.00 0.00 C ATOM 1419 CD2 TRP A 91 -7.287 6.545 -8.685 1.00 0.00 C ATOM 1420 NE1 TRP A 91 -9.374 7.259 -9.076 1.00 0.00 N ATOM 1421 CE2 TRP A 91 -8.187 6.955 -9.687 1.00 0.00 C ATOM 1422 CE3 TRP A 91 -5.991 6.178 -9.054 1.00 0.00 C ATOM 1423 CZ2 TRP A 91 -7.831 7.007 -11.032 1.00 0.00 C ATOM 1424 CZ3 TRP A 91 -5.639 6.229 -10.390 1.00 0.00 C ATOM 1425 CH2 TRP A 91 -6.555 6.641 -11.365 1.00 0.00 C ATOM 0 H TRP A 91 -9.966 6.192 -5.609 1.00 0.00 H new ATOM 0 HA TRP A 91 -7.589 6.758 -3.991 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -6.370 6.542 -6.055 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -7.478 5.189 -5.945 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -10.028 7.207 -6.997 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -10.217 7.587 -9.548 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -5.277 5.860 -8.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -8.536 7.325 -11.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -4.640 5.946 -10.687 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -6.249 6.671 -12.400 1.00 0.00 H new ATOM 1436 N GLN A 92 -7.326 9.158 -4.374 1.00 0.00 N ATOM 1437 CA GLN A 92 -7.235 10.606 -4.484 1.00 0.00 C ATOM 1438 C GLN A 92 -6.200 10.985 -5.540 1.00 0.00 C ATOM 1439 O GLN A 92 -5.242 10.248 -5.774 1.00 0.00 O ATOM 1440 CB GLN A 92 -6.864 11.226 -3.136 1.00 0.00 C ATOM 1441 CG GLN A 92 -7.962 11.113 -2.092 1.00 0.00 C ATOM 1442 CD GLN A 92 -7.784 12.093 -0.949 1.00 0.00 C ATOM 1443 OE1 GLN A 92 -8.748 12.694 -0.473 1.00 0.00 O ATOM 1444 NE2 GLN A 92 -6.545 12.262 -0.500 1.00 0.00 N ATOM 0 H GLN A 92 -6.695 8.745 -3.687 1.00 0.00 H new ATOM 0 HA GLN A 92 -8.208 10.993 -4.785 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.964 10.742 -2.758 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.622 12.278 -3.284 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.928 11.286 -2.566 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -7.978 10.098 -1.696 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -5.774 11.744 -0.922 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -6.364 12.909 0.267 1.00 0.00 H new ATOM 1453 N PRO A 93 -6.383 12.139 -6.201 1.00 0.00 N ATOM 1454 CA PRO A 93 -5.467 12.608 -7.245 1.00 0.00 C ATOM 1455 C PRO A 93 -4.001 12.518 -6.837 1.00 0.00 C ATOM 1456 O PRO A 93 -3.142 12.210 -7.664 1.00 0.00 O ATOM 1457 CB PRO A 93 -5.861 14.067 -7.422 1.00 0.00 C ATOM 1458 CG PRO A 93 -7.304 14.118 -7.055 1.00 0.00 C ATOM 1459 CD PRO A 93 -7.504 13.074 -5.989 1.00 0.00 C ATOM 0 HA PRO A 93 -5.548 12.002 -8.147 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.266 14.718 -6.781 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.702 14.398 -8.448 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.577 15.107 -6.687 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.933 13.915 -7.921 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.478 13.511 -4.991 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.467 12.575 -6.093 1.00 0.00 H new ATOM 1467 N ALA A 94 -3.726 12.809 -5.565 1.00 0.00 N ATOM 1468 CA ALA A 94 -2.362 12.786 -5.026 1.00 0.00 C ATOM 1469 C ALA A 94 -1.739 14.176 -5.080 1.00 0.00 C ATOM 1470 O ALA A 94 -1.082 14.613 -4.134 1.00 0.00 O ATOM 1471 CB ALA A 94 -1.472 11.790 -5.766 1.00 0.00 C ATOM 0 H ALA A 94 -4.437 13.066 -4.881 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.434 12.464 -3.987 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.471 11.806 -5.334 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.892 10.788 -5.673 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.417 12.064 -6.820 1.00 0.00 H new