USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 830 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 33 TYR OH : rot -130:sc= 0.397 USER MOD Set 1.2: A 70 HIS : no HE2:sc= -1.15 K(o=-0.75,f=-12!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -105:sc= 0.0613 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 155:sc= -0.0538 (180deg=-0.445) USER MOD Single : A 11 HIS :FLIP no HE2:sc= 0.00278 F(o=-0.76,f=0.0028) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 23 LYS NZ :NH3+ -104:sc= 1.42 (180deg=-0.292) USER MOD Single : A 25 TYR OH : rot 165:sc= -0.458 USER MOD Single : A 27 TYR OH : rot -91:sc= 0.959 USER MOD Single : A 32 MET CE :methyl 162:sc= -2.11 (180deg=-2.9!) USER MOD Single : A 34 HIS : no HE2:sc= -0.0227 K(o=-0.023,f=-0.58) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -160:sc= -3.3 (180deg=-4.8!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.53) USER MOD Single : A 54 SER OG : rot 180:sc=-0.00159 USER MOD Single : A 69 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.91) USER MOD Single : A 71 GLN : amide:sc= -2.14! C(o=-2.1!,f=-1.9!) USER MOD Single : A 74 TYR OH : rot -122:sc= -0.811 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 78 THR OG1 : rot 180:sc= -2.51 USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 112 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 ASN : amide:sc= -0.0287 K(o=-0.029,f=-1.3!) USER MOD Single : B 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.847 8.989 2.330 1.00 0.00 N ATOM 2 CA MET A 1 -18.795 7.613 2.890 1.00 0.00 C ATOM 3 C MET A 1 -17.354 7.133 3.036 1.00 0.00 C ATOM 4 O MET A 1 -16.414 7.839 2.675 1.00 0.00 O ATOM 5 CB MET A 1 -19.570 6.679 1.958 1.00 0.00 C ATOM 6 CG MET A 1 -21.026 6.496 2.356 1.00 0.00 C ATOM 7 SD MET A 1 -21.662 4.863 1.932 1.00 0.00 S ATOM 8 CE MET A 1 -22.797 5.274 0.609 1.00 0.00 C ATOM 0 H1 MET A 1 -19.082 9.663 3.086 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.921 9.234 1.924 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.574 9.034 1.588 1.00 0.00 H new ATOM 0 HA MET A 1 -19.245 7.612 3.883 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.526 7.073 0.943 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.080 5.705 1.943 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.128 6.654 3.430 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.632 7.257 1.863 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.271 4.364 0.241 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.561 5.955 0.984 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.251 5.753 -0.203 1.00 0.00 H new ATOM 20 N ASP A 2 -17.189 5.926 3.567 1.00 0.00 N ATOM 21 CA ASP A 2 -15.865 5.349 3.761 1.00 0.00 C ATOM 22 C ASP A 2 -15.939 3.826 3.813 1.00 0.00 C ATOM 23 O ASP A 2 -15.482 3.203 4.773 1.00 0.00 O ATOM 24 CB ASP A 2 -15.235 5.890 5.047 1.00 0.00 C ATOM 25 CG ASP A 2 -13.743 6.125 4.905 1.00 0.00 C ATOM 26 OD1 ASP A 2 -13.130 5.518 4.002 1.00 0.00 O ATOM 27 OD2 ASP A 2 -13.189 6.915 5.698 1.00 0.00 O ATOM 0 H ASP A 2 -17.957 5.328 3.871 1.00 0.00 H new ATOM 0 HA ASP A 2 -15.241 5.634 2.914 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -15.723 6.825 5.322 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -15.414 5.186 5.860 1.00 0.00 H new ATOM 32 N ARG A 3 -16.520 3.232 2.776 1.00 0.00 N ATOM 33 CA ARG A 3 -16.656 1.784 2.702 1.00 0.00 C ATOM 34 C ARG A 3 -16.202 1.256 1.344 1.00 0.00 C ATOM 35 O ARG A 3 -15.528 0.231 1.261 1.00 0.00 O ATOM 36 CB ARG A 3 -18.107 1.373 2.964 1.00 0.00 C ATOM 37 CG ARG A 3 -18.696 1.984 4.224 1.00 0.00 C ATOM 38 CD ARG A 3 -18.521 1.066 5.422 1.00 0.00 C ATOM 39 NE ARG A 3 -19.272 -0.178 5.273 1.00 0.00 N ATOM 40 CZ ARG A 3 -19.579 -0.986 6.287 1.00 0.00 C ATOM 41 NH1 ARG A 3 -19.201 -0.684 7.523 1.00 0.00 N ATOM 42 NH2 ARG A 3 -20.265 -2.097 6.064 1.00 0.00 N ATOM 0 H ARG A 3 -16.904 3.733 1.975 1.00 0.00 H new ATOM 0 HA ARG A 3 -16.016 1.348 3.469 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -18.718 1.664 2.110 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.160 0.287 3.038 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -18.215 2.941 4.425 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -19.756 2.186 4.071 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -17.463 0.837 5.552 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -18.849 1.582 6.325 1.00 0.00 H new ATOM 0 HE ARG A 3 -19.580 -0.444 4.337 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -18.673 0.170 7.700 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -19.439 -1.306 8.295 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -20.558 -2.334 5.116 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -20.500 -2.716 6.840 1.00 0.00 H new ATOM 56 N LYS A 4 -16.582 1.961 0.282 1.00 0.00 N ATOM 57 CA LYS A 4 -16.215 1.561 -1.073 1.00 0.00 C ATOM 58 C LYS A 4 -14.708 1.380 -1.205 1.00 0.00 C ATOM 59 O LYS A 4 -14.242 0.535 -1.970 1.00 0.00 O ATOM 60 CB LYS A 4 -16.711 2.593 -2.088 1.00 0.00 C ATOM 61 CG LYS A 4 -18.217 2.582 -2.283 1.00 0.00 C ATOM 62 CD LYS A 4 -18.718 1.205 -2.690 1.00 0.00 C ATOM 63 CE LYS A 4 -19.383 0.486 -1.527 1.00 0.00 C ATOM 64 NZ LYS A 4 -20.618 1.184 -1.075 1.00 0.00 N ATOM 0 H LYS A 4 -17.143 2.811 0.333 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.692 0.603 -1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.403 3.587 -1.763 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.228 2.407 -3.047 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -18.706 2.890 -1.359 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.491 3.310 -3.047 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -19.428 1.303 -3.512 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.884 0.608 -3.059 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.630 -0.533 -1.824 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.682 0.414 -0.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.253 0.502 -0.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.366 1.935 -0.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -21.100 1.603 -1.896 1.00 0.00 H new ATOM 78 N VAL A 5 -13.947 2.169 -0.452 1.00 0.00 N ATOM 79 CA VAL A 5 -12.493 2.075 -0.490 1.00 0.00 C ATOM 80 C VAL A 5 -12.052 0.635 -0.258 1.00 0.00 C ATOM 81 O VAL A 5 -11.151 0.131 -0.928 1.00 0.00 O ATOM 82 CB VAL A 5 -11.836 2.984 0.567 1.00 0.00 C ATOM 83 CG1 VAL A 5 -10.320 2.960 0.431 1.00 0.00 C ATOM 84 CG2 VAL A 5 -12.370 4.403 0.453 1.00 0.00 C ATOM 0 H VAL A 5 -14.311 2.876 0.187 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.171 2.407 -1.477 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.090 2.603 1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -9.877 3.608 1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.958 1.941 0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.038 3.313 -0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.896 5.032 1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.149 4.796 -0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.449 4.400 0.610 1.00 0.00 H new ATOM 94 N ALA A 6 -12.709 -0.023 0.690 1.00 0.00 N ATOM 95 CA ALA A 6 -12.407 -1.409 1.010 1.00 0.00 C ATOM 96 C ALA A 6 -12.911 -2.339 -0.089 1.00 0.00 C ATOM 97 O ALA A 6 -12.307 -3.375 -0.366 1.00 0.00 O ATOM 98 CB ALA A 6 -13.018 -1.791 2.349 1.00 0.00 C ATOM 0 H ALA A 6 -13.457 0.385 1.251 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.324 -1.515 1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.782 -2.831 2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.611 -1.150 3.131 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.100 -1.666 2.304 1.00 0.00 H new ATOM 104 N ARG A 7 -14.026 -1.960 -0.713 1.00 0.00 N ATOM 105 CA ARG A 7 -14.611 -2.762 -1.781 1.00 0.00 C ATOM 106 C ARG A 7 -13.713 -2.767 -3.012 1.00 0.00 C ATOM 107 O ARG A 7 -13.558 -3.793 -3.674 1.00 0.00 O ATOM 108 CB ARG A 7 -15.997 -2.230 -2.148 1.00 0.00 C ATOM 109 CG ARG A 7 -17.022 -2.385 -1.036 1.00 0.00 C ATOM 110 CD ARG A 7 -17.912 -3.597 -1.261 1.00 0.00 C ATOM 111 NE ARG A 7 -18.834 -3.814 -0.148 1.00 0.00 N ATOM 112 CZ ARG A 7 -19.538 -4.930 0.023 1.00 0.00 C ATOM 113 NH1 ARG A 7 -19.430 -5.931 -0.842 1.00 0.00 N ATOM 114 NH2 ARG A 7 -20.354 -5.046 1.062 1.00 0.00 N ATOM 0 H ARG A 7 -14.539 -1.105 -0.497 1.00 0.00 H new ATOM 0 HA ARG A 7 -14.707 -3.786 -1.420 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -15.914 -1.175 -2.410 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -16.354 -2.752 -3.036 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -16.510 -2.482 -0.079 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -17.637 -1.487 -0.979 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -18.480 -3.464 -2.182 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -17.291 -4.483 -1.395 1.00 0.00 H new ATOM 0 HE ARG A 7 -18.944 -3.067 0.537 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -18.805 -5.847 -1.643 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -19.972 -6.784 -0.705 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -20.442 -4.280 1.730 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -20.894 -5.901 1.193 1.00 0.00 H new ATOM 128 N GLU A 8 -13.123 -1.618 -3.311 1.00 0.00 N ATOM 129 CA GLU A 8 -12.237 -1.495 -4.461 1.00 0.00 C ATOM 130 C GLU A 8 -10.926 -2.229 -4.211 1.00 0.00 C ATOM 131 O GLU A 8 -10.473 -3.012 -5.043 1.00 0.00 O ATOM 132 CB GLU A 8 -11.965 -0.021 -4.771 1.00 0.00 C ATOM 133 CG GLU A 8 -12.921 0.573 -5.791 1.00 0.00 C ATOM 134 CD GLU A 8 -12.460 0.358 -7.218 1.00 0.00 C ATOM 135 OE1 GLU A 8 -11.711 1.215 -7.736 1.00 0.00 O ATOM 136 OE2 GLU A 8 -12.845 -0.666 -7.818 1.00 0.00 O ATOM 0 H GLU A 8 -13.241 -0.759 -2.774 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.730 -1.949 -5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.030 0.554 -3.847 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.944 0.082 -5.139 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.907 0.128 -5.661 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.027 1.642 -5.605 1.00 0.00 H new ATOM 143 N PHE A 9 -10.328 -1.978 -3.052 1.00 0.00 N ATOM 144 CA PHE A 9 -9.074 -2.623 -2.689 1.00 0.00 C ATOM 145 C PHE A 9 -9.277 -4.127 -2.538 1.00 0.00 C ATOM 146 O PHE A 9 -8.427 -4.924 -2.936 1.00 0.00 O ATOM 147 CB PHE A 9 -8.528 -2.033 -1.387 1.00 0.00 C ATOM 148 CG PHE A 9 -7.220 -2.635 -0.957 1.00 0.00 C ATOM 149 CD1 PHE A 9 -6.065 -2.404 -1.686 1.00 0.00 C ATOM 150 CD2 PHE A 9 -7.147 -3.430 0.174 1.00 0.00 C ATOM 151 CE1 PHE A 9 -4.861 -2.956 -1.293 1.00 0.00 C ATOM 152 CE2 PHE A 9 -5.946 -3.985 0.572 1.00 0.00 C ATOM 153 CZ PHE A 9 -4.801 -3.747 -0.162 1.00 0.00 C ATOM 0 H PHE A 9 -10.691 -1.334 -2.350 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.350 -2.444 -3.484 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.401 -0.958 -1.510 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.263 -2.178 -0.595 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.106 -1.786 -2.571 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -8.040 -3.619 0.752 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.967 -2.769 -1.870 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.903 -4.604 1.456 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.860 -4.178 0.147 1.00 0.00 H new ATOM 163 N ARG A 10 -10.413 -4.505 -1.962 1.00 0.00 N ATOM 164 CA ARG A 10 -10.738 -5.910 -1.760 1.00 0.00 C ATOM 165 C ARG A 10 -11.114 -6.575 -3.079 1.00 0.00 C ATOM 166 O ARG A 10 -10.684 -7.693 -3.366 1.00 0.00 O ATOM 167 CB ARG A 10 -11.885 -6.051 -0.757 1.00 0.00 C ATOM 168 CG ARG A 10 -12.139 -7.484 -0.320 1.00 0.00 C ATOM 169 CD ARG A 10 -13.226 -8.139 -1.158 1.00 0.00 C ATOM 170 NE ARG A 10 -14.452 -8.355 -0.392 1.00 0.00 N ATOM 171 CZ ARG A 10 -15.643 -8.577 -0.946 1.00 0.00 C ATOM 172 NH1 ARG A 10 -15.772 -8.611 -2.266 1.00 0.00 N ATOM 173 NH2 ARG A 10 -16.706 -8.764 -0.176 1.00 0.00 N ATOM 0 H ARG A 10 -11.125 -3.856 -1.627 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.854 -6.409 -1.362 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.664 -5.446 0.122 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.796 -5.648 -1.200 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.217 -8.060 -0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.430 -7.499 0.730 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.444 -7.512 -2.023 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.864 -9.094 -1.540 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.392 -8.335 0.626 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.957 -8.467 -2.862 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.686 -8.781 -2.685 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.611 -8.738 0.839 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -17.618 -8.934 -0.599 1.00 0.00 H new ATOM 187 N HIS A 11 -11.915 -5.882 -3.882 1.00 0.00 N ATOM 188 CA HIS A 11 -12.342 -6.412 -5.172 1.00 0.00 C ATOM 189 C HIS A 11 -11.159 -6.519 -6.126 1.00 0.00 C ATOM 190 O HIS A 11 -11.019 -7.508 -6.848 1.00 0.00 O ATOM 191 CB HIS A 11 -13.429 -5.526 -5.783 1.00 0.00 C ATOM 192 CG HIS A 11 -14.013 -6.080 -7.046 1.00 0.00 C ATOM 193 ND1 HIS A 11 -13.803 -7.260 -7.676 1.00 0.00 N flip ATOM 194 CD2 HIS A 11 -14.931 -5.396 -7.814 1.00 0.00 C flip ATOM 195 CE1 HIS A 11 -14.591 -7.267 -8.799 1.00 0.00 C flip ATOM 196 NE2 HIS A 11 -15.262 -6.132 -8.860 1.00 0.00 N flip ATOM 0 H HIS A 11 -12.280 -4.955 -3.663 1.00 0.00 H new ATOM 0 HA HIS A 11 -12.752 -7.409 -5.011 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.227 -5.388 -5.053 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -13.011 -4.540 -5.988 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -13.176 -8.005 -7.372 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -15.319 -4.412 -7.595 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.652 -8.071 -9.517 1.00 0.00 H new ATOM 205 N LYS A 12 -10.305 -5.502 -6.123 1.00 0.00 N ATOM 206 CA LYS A 12 -9.131 -5.491 -6.985 1.00 0.00 C ATOM 207 C LYS A 12 -8.234 -6.684 -6.678 1.00 0.00 C ATOM 208 O LYS A 12 -7.940 -7.498 -7.554 1.00 0.00 O ATOM 209 CB LYS A 12 -8.350 -4.188 -6.804 1.00 0.00 C ATOM 210 CG LYS A 12 -8.742 -3.101 -7.791 1.00 0.00 C ATOM 211 CD LYS A 12 -7.789 -3.051 -8.974 1.00 0.00 C ATOM 212 CE LYS A 12 -6.675 -2.041 -8.749 1.00 0.00 C ATOM 213 NZ LYS A 12 -6.135 -1.516 -10.034 1.00 0.00 N ATOM 0 H LYS A 12 -10.404 -4.675 -5.534 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.464 -5.561 -8.021 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.505 -3.819 -5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.285 -4.395 -6.909 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.756 -3.281 -8.147 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.748 -2.135 -7.286 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.358 -4.039 -9.138 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.341 -2.790 -9.877 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.051 -1.213 -8.148 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.871 -2.508 -8.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.378 -0.831 -9.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.753 -2.302 -10.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.897 -1.048 -10.565 1.00 0.00 H new ATOM 227 N VAL A 13 -7.812 -6.791 -5.421 1.00 0.00 N ATOM 228 CA VAL A 13 -6.957 -7.891 -4.995 1.00 0.00 C ATOM 229 C VAL A 13 -7.579 -9.231 -5.370 1.00 0.00 C ATOM 230 O VAL A 13 -6.879 -10.165 -5.760 1.00 0.00 O ATOM 231 CB VAL A 13 -6.704 -7.857 -3.475 1.00 0.00 C ATOM 232 CG1 VAL A 13 -5.731 -8.953 -3.066 1.00 0.00 C ATOM 233 CG2 VAL A 13 -6.185 -6.490 -3.051 1.00 0.00 C ATOM 0 H VAL A 13 -8.049 -6.129 -4.682 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.003 -7.774 -5.509 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.651 -8.037 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.567 -8.911 -1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.146 -9.925 -3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.783 -8.809 -3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.012 -6.484 -1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.250 -6.279 -3.570 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.921 -5.727 -3.304 1.00 0.00 H new ATOM 243 N ASP A 14 -8.899 -9.313 -5.261 1.00 0.00 N ATOM 244 CA ASP A 14 -9.615 -10.534 -5.599 1.00 0.00 C ATOM 245 C ASP A 14 -9.624 -10.750 -7.109 1.00 0.00 C ATOM 246 O ASP A 14 -9.683 -11.885 -7.582 1.00 0.00 O ATOM 247 CB ASP A 14 -11.050 -10.476 -5.070 1.00 0.00 C ATOM 248 CG ASP A 14 -11.718 -11.837 -5.061 1.00 0.00 C ATOM 249 OD1 ASP A 14 -11.940 -12.396 -6.156 1.00 0.00 O ATOM 250 OD2 ASP A 14 -12.017 -12.344 -3.961 1.00 0.00 O ATOM 0 H ASP A 14 -9.494 -8.549 -4.941 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.100 -11.372 -5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.045 -10.070 -4.058 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.634 -9.792 -5.686 1.00 0.00 H new ATOM 255 N PHE A 15 -9.557 -9.655 -7.863 1.00 0.00 N ATOM 256 CA PHE A 15 -9.548 -9.730 -9.318 1.00 0.00 C ATOM 257 C PHE A 15 -8.237 -10.327 -9.811 1.00 0.00 C ATOM 258 O PHE A 15 -8.193 -10.996 -10.844 1.00 0.00 O ATOM 259 CB PHE A 15 -9.751 -8.341 -9.926 1.00 0.00 C ATOM 260 CG PHE A 15 -10.335 -8.370 -11.310 1.00 0.00 C ATOM 261 CD1 PHE A 15 -9.552 -8.724 -12.399 1.00 0.00 C ATOM 262 CD2 PHE A 15 -11.665 -8.046 -11.523 1.00 0.00 C ATOM 263 CE1 PHE A 15 -10.086 -8.753 -13.673 1.00 0.00 C ATOM 264 CE2 PHE A 15 -12.203 -8.072 -12.796 1.00 0.00 C ATOM 265 CZ PHE A 15 -11.413 -8.426 -13.872 1.00 0.00 C ATOM 0 H PHE A 15 -9.508 -8.707 -7.489 1.00 0.00 H new ATOM 0 HA PHE A 15 -10.369 -10.375 -9.633 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.407 -7.761 -9.276 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.792 -7.823 -9.956 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.513 -8.980 -12.249 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -12.288 -7.770 -10.685 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.466 -9.031 -14.513 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -13.241 -7.816 -12.949 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.832 -8.447 -14.867 1.00 0.00 H new ATOM 275 N LEU A 16 -7.173 -10.071 -9.062 1.00 0.00 N ATOM 276 CA LEU A 16 -5.849 -10.570 -9.413 1.00 0.00 C ATOM 277 C LEU A 16 -5.601 -11.942 -8.800 1.00 0.00 C ATOM 278 O LEU A 16 -5.214 -12.884 -9.493 1.00 0.00 O ATOM 279 CB LEU A 16 -4.773 -9.586 -8.945 1.00 0.00 C ATOM 280 CG LEU A 16 -5.188 -8.111 -8.956 1.00 0.00 C ATOM 281 CD1 LEU A 16 -4.332 -7.310 -7.989 1.00 0.00 C ATOM 282 CD2 LEU A 16 -5.083 -7.541 -10.363 1.00 0.00 C ATOM 0 H LEU A 16 -7.201 -9.519 -8.205 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.800 -10.666 -10.498 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.473 -9.855 -7.932 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.895 -9.704 -9.579 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.227 -8.041 -8.633 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.641 -6.265 -8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.456 -7.705 -6.981 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.285 -7.385 -8.282 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.381 -6.493 -10.354 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.054 -7.623 -10.713 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.739 -8.099 -11.031 1.00 0.00 H new ATOM 294 N ILE A 17 -5.826 -12.048 -7.498 1.00 0.00 N ATOM 295 CA ILE A 17 -5.629 -13.302 -6.783 1.00 0.00 C ATOM 296 C ILE A 17 -6.852 -14.182 -6.863 1.00 0.00 C ATOM 297 O ILE A 17 -6.788 -15.321 -7.326 1.00 0.00 O ATOM 298 CB ILE A 17 -5.318 -13.071 -5.294 1.00 0.00 C ATOM 299 CG1 ILE A 17 -4.377 -11.889 -5.119 1.00 0.00 C ATOM 300 CG2 ILE A 17 -4.716 -14.327 -4.685 1.00 0.00 C ATOM 301 CD1 ILE A 17 -4.004 -11.612 -3.680 1.00 0.00 C ATOM 0 H ILE A 17 -6.147 -11.277 -6.912 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.782 -13.789 -7.266 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.249 -12.843 -4.776 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.468 -12.073 -5.691 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.844 -10.999 -5.541 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.500 -14.153 -3.631 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.423 -15.152 -4.779 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.793 -14.579 -5.208 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.331 -10.755 -3.637 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.905 -11.395 -3.106 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.507 -12.486 -3.258 1.00 0.00 H new ATOM 313 N GLU A 18 -7.959 -13.661 -6.360 1.00 0.00 N ATOM 314 CA GLU A 18 -9.195 -14.402 -6.320 1.00 0.00 C ATOM 315 C GLU A 18 -9.074 -15.565 -5.349 1.00 0.00 C ATOM 316 O GLU A 18 -9.988 -16.377 -5.198 1.00 0.00 O ATOM 317 CB GLU A 18 -9.590 -14.889 -7.707 1.00 0.00 C ATOM 318 CG GLU A 18 -10.858 -15.703 -7.687 1.00 0.00 C ATOM 319 CD GLU A 18 -11.479 -15.866 -9.062 1.00 0.00 C ATOM 320 OE1 GLU A 18 -10.734 -16.158 -10.020 1.00 0.00 O ATOM 321 OE2 GLU A 18 -12.712 -15.703 -9.179 1.00 0.00 O ATOM 0 H GLU A 18 -8.020 -12.719 -5.972 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.984 -13.737 -5.970 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.722 -14.032 -8.367 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.781 -15.490 -8.123 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.645 -16.688 -7.272 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.579 -15.226 -7.023 1.00 0.00 H new ATOM 328 N ASN A 19 -7.931 -15.625 -4.694 1.00 0.00 N ATOM 329 CA ASN A 19 -7.650 -16.675 -3.722 1.00 0.00 C ATOM 330 C ASN A 19 -7.702 -16.127 -2.300 1.00 0.00 C ATOM 331 O ASN A 19 -7.613 -14.918 -2.087 1.00 0.00 O ATOM 332 CB ASN A 19 -6.283 -17.303 -3.992 1.00 0.00 C ATOM 333 CG ASN A 19 -6.208 -17.962 -5.356 1.00 0.00 C ATOM 334 OD1 ASN A 19 -7.166 -18.590 -5.808 1.00 0.00 O ATOM 335 ND2 ASN A 19 -5.067 -17.822 -6.020 1.00 0.00 N ATOM 0 H ASN A 19 -7.172 -14.954 -4.816 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.417 -17.443 -3.825 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.513 -16.535 -3.920 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.068 -18.043 -3.222 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.959 -18.243 -6.943 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.299 -17.293 -5.608 1.00 0.00 H new ATOM 342 N ASP A 20 -7.847 -17.023 -1.330 1.00 0.00 N ATOM 343 CA ASP A 20 -7.914 -16.628 0.071 1.00 0.00 C ATOM 344 C ASP A 20 -6.541 -16.711 0.730 1.00 0.00 C ATOM 345 O ASP A 20 -6.173 -15.851 1.531 1.00 0.00 O ATOM 346 CB ASP A 20 -8.908 -17.512 0.826 1.00 0.00 C ATOM 347 CG ASP A 20 -10.344 -17.068 0.628 1.00 0.00 C ATOM 348 OD1 ASP A 20 -10.756 -16.898 -0.539 1.00 0.00 O ATOM 349 OD2 ASP A 20 -11.057 -16.894 1.638 1.00 0.00 O ATOM 0 H ASP A 20 -7.920 -18.028 -1.489 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.253 -15.593 0.112 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.800 -18.543 0.491 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.669 -17.496 1.889 1.00 0.00 H new ATOM 354 N ALA A 21 -5.785 -17.750 0.387 1.00 0.00 N ATOM 355 CA ALA A 21 -4.451 -17.941 0.947 1.00 0.00 C ATOM 356 C ALA A 21 -3.573 -16.724 0.695 1.00 0.00 C ATOM 357 O ALA A 21 -3.003 -16.149 1.624 1.00 0.00 O ATOM 358 CB ALA A 21 -3.808 -19.190 0.366 1.00 0.00 C ATOM 0 H ALA A 21 -6.073 -18.471 -0.275 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.550 -18.067 2.025 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.813 -19.319 0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.421 -20.059 0.604 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.728 -19.088 -0.716 1.00 0.00 H new ATOM 364 N GLU A 22 -3.473 -16.331 -0.567 1.00 0.00 N ATOM 365 CA GLU A 22 -2.670 -15.175 -0.944 1.00 0.00 C ATOM 366 C GLU A 22 -3.202 -13.915 -0.271 1.00 0.00 C ATOM 367 O GLU A 22 -2.435 -13.129 0.285 1.00 0.00 O ATOM 368 CB GLU A 22 -2.667 -15.002 -2.464 1.00 0.00 C ATOM 369 CG GLU A 22 -1.394 -15.498 -3.130 1.00 0.00 C ATOM 370 CD GLU A 22 -1.489 -15.501 -4.643 1.00 0.00 C ATOM 371 OE1 GLU A 22 -1.455 -14.405 -5.241 1.00 0.00 O ATOM 372 OE2 GLU A 22 -1.593 -16.598 -5.230 1.00 0.00 O ATOM 0 H GLU A 22 -3.938 -16.795 -1.347 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.646 -15.342 -0.610 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.519 -15.537 -2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.804 -13.947 -2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.559 -14.868 -2.824 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.176 -16.508 -2.782 1.00 0.00 H new ATOM 379 N LYS A 23 -4.516 -13.737 -0.313 1.00 0.00 N ATOM 380 CA LYS A 23 -5.146 -12.580 0.307 1.00 0.00 C ATOM 381 C LYS A 23 -4.898 -12.590 1.808 1.00 0.00 C ATOM 382 O LYS A 23 -4.793 -11.539 2.436 1.00 0.00 O ATOM 383 CB LYS A 23 -6.648 -12.564 0.018 1.00 0.00 C ATOM 384 CG LYS A 23 -7.126 -11.286 -0.647 1.00 0.00 C ATOM 385 CD LYS A 23 -8.606 -11.351 -0.985 1.00 0.00 C ATOM 386 CE LYS A 23 -8.839 -11.922 -2.375 1.00 0.00 C ATOM 387 NZ LYS A 23 -9.860 -13.007 -2.365 1.00 0.00 N ATOM 0 H LYS A 23 -5.165 -14.378 -0.769 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.705 -11.678 -0.117 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.895 -13.411 -0.622 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.191 -12.702 0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.940 -10.440 0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.552 -11.112 -1.557 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.121 -11.966 -0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.038 -10.352 -0.925 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.162 -11.126 -3.045 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.900 -12.310 -2.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.387 -13.930 -2.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.396 -12.971 -1.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.511 -12.879 -3.166 1.00 0.00 H new ATOM 401 N ASP A 24 -4.785 -13.788 2.374 1.00 0.00 N ATOM 402 CA ASP A 24 -4.528 -13.928 3.800 1.00 0.00 C ATOM 403 C ASP A 24 -3.186 -13.298 4.149 1.00 0.00 C ATOM 404 O ASP A 24 -3.097 -12.458 5.044 1.00 0.00 O ATOM 405 CB ASP A 24 -4.543 -15.403 4.204 1.00 0.00 C ATOM 406 CG ASP A 24 -5.812 -15.787 4.939 1.00 0.00 C ATOM 407 OD1 ASP A 24 -6.809 -16.126 4.267 1.00 0.00 O ATOM 408 OD2 ASP A 24 -5.809 -15.748 6.187 1.00 0.00 O ATOM 0 H ASP A 24 -4.867 -14.670 1.869 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.315 -13.413 4.351 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.441 -16.022 3.313 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.681 -15.612 4.838 1.00 0.00 H new ATOM 413 N TYR A 25 -2.145 -13.701 3.425 1.00 0.00 N ATOM 414 CA TYR A 25 -0.810 -13.163 3.654 1.00 0.00 C ATOM 415 C TYR A 25 -0.754 -11.694 3.274 1.00 0.00 C ATOM 416 O TYR A 25 -0.216 -10.876 4.017 1.00 0.00 O ATOM 417 CB TYR A 25 0.237 -13.957 2.870 1.00 0.00 C ATOM 418 CG TYR A 25 1.655 -13.496 3.116 1.00 0.00 C ATOM 419 CD1 TYR A 25 2.280 -13.733 4.334 1.00 0.00 C ATOM 420 CD2 TYR A 25 2.368 -12.823 2.132 1.00 0.00 C ATOM 421 CE1 TYR A 25 3.578 -13.313 4.563 1.00 0.00 C ATOM 422 CE2 TYR A 25 3.666 -12.399 2.354 1.00 0.00 C ATOM 423 CZ TYR A 25 4.265 -12.646 3.571 1.00 0.00 C ATOM 424 OH TYR A 25 5.555 -12.226 3.795 1.00 0.00 O ATOM 0 H TYR A 25 -2.201 -14.394 2.679 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.585 -13.255 4.717 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.155 -15.011 3.135 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.018 -13.879 1.805 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.744 -14.253 5.114 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.901 -12.628 1.178 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.051 -13.507 5.514 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.207 -11.877 1.578 1.00 0.00 H new ATOM 0 HH TYR A 25 5.976 -11.994 2.941 1.00 0.00 H new ATOM 434 N LEU A 26 -1.332 -11.352 2.125 1.00 0.00 N ATOM 435 CA LEU A 26 -1.352 -9.964 1.691 1.00 0.00 C ATOM 436 C LEU A 26 -2.029 -9.130 2.761 1.00 0.00 C ATOM 437 O LEU A 26 -1.557 -8.050 3.116 1.00 0.00 O ATOM 438 CB LEU A 26 -2.081 -9.818 0.352 1.00 0.00 C ATOM 439 CG LEU A 26 -1.996 -8.428 -0.282 1.00 0.00 C ATOM 440 CD1 LEU A 26 -0.612 -8.190 -0.862 1.00 0.00 C ATOM 441 CD2 LEU A 26 -3.062 -8.270 -1.356 1.00 0.00 C ATOM 0 H LEU A 26 -1.785 -12.008 1.489 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.329 -9.616 1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.672 -10.546 -0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.131 -10.071 0.498 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.174 -7.682 0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.571 -7.197 -1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.132 -8.263 -0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.403 -8.940 -1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.989 -7.276 -1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.913 -9.023 -2.130 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.049 -8.397 -0.911 1.00 0.00 H new ATOM 453 N TYR A 27 -3.113 -9.667 3.310 1.00 0.00 N ATOM 454 CA TYR A 27 -3.816 -8.993 4.384 1.00 0.00 C ATOM 455 C TYR A 27 -2.866 -8.844 5.565 1.00 0.00 C ATOM 456 O TYR A 27 -2.923 -7.862 6.306 1.00 0.00 O ATOM 457 CB TYR A 27 -5.067 -9.772 4.799 1.00 0.00 C ATOM 458 CG TYR A 27 -6.347 -9.199 4.235 1.00 0.00 C ATOM 459 CD1 TYR A 27 -6.761 -7.915 4.569 1.00 0.00 C ATOM 460 CD2 TYR A 27 -7.141 -9.939 3.368 1.00 0.00 C ATOM 461 CE1 TYR A 27 -7.930 -7.385 4.057 1.00 0.00 C ATOM 462 CE2 TYR A 27 -8.310 -9.416 2.850 1.00 0.00 C ATOM 463 CZ TYR A 27 -8.700 -8.140 3.196 1.00 0.00 C ATOM 464 OH TYR A 27 -9.864 -7.615 2.683 1.00 0.00 O ATOM 0 H TYR A 27 -3.518 -10.560 3.029 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.143 -8.011 4.041 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.966 -10.807 4.472 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.133 -9.786 5.887 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.159 -7.321 5.240 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.840 -10.939 3.094 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.239 -6.386 4.329 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.916 -10.004 2.177 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.614 -7.848 3.269 1.00 0.00 H new ATOM 474 N ASP A 28 -1.967 -9.821 5.716 1.00 0.00 N ATOM 475 CA ASP A 28 -0.982 -9.790 6.782 1.00 0.00 C ATOM 476 C ASP A 28 0.056 -8.709 6.498 1.00 0.00 C ATOM 477 O ASP A 28 0.542 -8.046 7.414 1.00 0.00 O ATOM 478 CB ASP A 28 -0.302 -11.153 6.923 1.00 0.00 C ATOM 479 CG ASP A 28 -0.762 -11.903 8.159 1.00 0.00 C ATOM 480 OD1 ASP A 28 -0.354 -11.516 9.275 1.00 0.00 O ATOM 481 OD2 ASP A 28 -1.530 -12.876 8.012 1.00 0.00 O ATOM 0 H ASP A 28 -1.907 -10.639 5.110 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.488 -9.559 7.720 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.511 -11.754 6.038 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.778 -11.014 6.966 1.00 0.00 H new ATOM 486 N VAL A 29 0.384 -8.524 5.215 1.00 0.00 N ATOM 487 CA VAL A 29 1.354 -7.509 4.827 1.00 0.00 C ATOM 488 C VAL A 29 0.859 -6.124 5.222 1.00 0.00 C ATOM 489 O VAL A 29 1.589 -5.342 5.833 1.00 0.00 O ATOM 490 CB VAL A 29 1.635 -7.540 3.312 1.00 0.00 C ATOM 491 CG1 VAL A 29 2.707 -6.524 2.946 1.00 0.00 C ATOM 492 CG2 VAL A 29 2.046 -8.937 2.873 1.00 0.00 C ATOM 0 H VAL A 29 -0.006 -9.060 4.440 1.00 0.00 H new ATOM 0 HA VAL A 29 2.283 -7.730 5.352 1.00 0.00 H new ATOM 0 HB VAL A 29 0.718 -7.273 2.787 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.892 -6.561 1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.371 -5.525 3.222 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.628 -6.758 3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.240 -8.939 1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.949 -9.235 3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.244 -9.640 3.098 1.00 0.00 H new ATOM 502 N LEU A 30 -0.392 -5.831 4.882 1.00 0.00 N ATOM 503 CA LEU A 30 -0.988 -4.545 5.219 1.00 0.00 C ATOM 504 C LEU A 30 -1.043 -4.380 6.732 1.00 0.00 C ATOM 505 O LEU A 30 -0.823 -3.289 7.261 1.00 0.00 O ATOM 506 CB LEU A 30 -2.394 -4.432 4.625 1.00 0.00 C ATOM 507 CG LEU A 30 -2.485 -4.699 3.123 1.00 0.00 C ATOM 508 CD1 LEU A 30 -3.859 -5.240 2.759 1.00 0.00 C ATOM 509 CD2 LEU A 30 -2.187 -3.430 2.336 1.00 0.00 C ATOM 0 H LEU A 30 -1.010 -6.465 4.375 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.371 -3.753 4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.048 -5.133 5.143 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.777 -3.431 4.825 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.739 -5.450 2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.905 -5.424 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.037 -6.172 3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.622 -4.512 3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.256 -3.639 1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.910 -2.659 2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.181 -3.083 2.573 1.00 0.00 H new ATOM 521 N ARG A 31 -1.325 -5.480 7.424 1.00 0.00 N ATOM 522 CA ARG A 31 -1.394 -5.471 8.879 1.00 0.00 C ATOM 523 C ARG A 31 -0.091 -4.942 9.466 1.00 0.00 C ATOM 524 O ARG A 31 -0.097 -4.154 10.411 1.00 0.00 O ATOM 525 CB ARG A 31 -1.674 -6.881 9.409 1.00 0.00 C ATOM 526 CG ARG A 31 -3.149 -7.159 9.645 1.00 0.00 C ATOM 527 CD ARG A 31 -3.351 -8.400 10.499 1.00 0.00 C ATOM 528 NE ARG A 31 -3.598 -8.065 11.901 1.00 0.00 N ATOM 529 CZ ARG A 31 -3.442 -8.923 12.907 1.00 0.00 C ATOM 530 NH1 ARG A 31 -3.041 -10.167 12.673 1.00 0.00 N ATOM 531 NH2 ARG A 31 -3.688 -8.536 14.152 1.00 0.00 N ATOM 0 H ARG A 31 -1.509 -6.389 6.999 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.210 -4.815 9.182 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.284 -7.611 8.700 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.132 -7.023 10.344 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.609 -6.300 10.134 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.654 -7.288 8.688 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.191 -8.975 10.110 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.469 -9.037 10.428 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.908 -7.118 12.121 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.850 -10.470 11.718 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.923 -10.819 13.448 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.996 -7.582 14.338 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.569 -9.193 14.923 1.00 0.00 H new ATOM 545 N MET A 32 1.026 -5.373 8.886 1.00 0.00 N ATOM 546 CA MET A 32 2.336 -4.930 9.340 1.00 0.00 C ATOM 547 C MET A 32 2.497 -3.435 9.101 1.00 0.00 C ATOM 548 O MET A 32 2.872 -2.686 10.003 1.00 0.00 O ATOM 549 CB MET A 32 3.442 -5.699 8.614 1.00 0.00 C ATOM 550 CG MET A 32 3.823 -7.003 9.293 1.00 0.00 C ATOM 551 SD MET A 32 4.635 -6.747 10.883 1.00 0.00 S ATOM 552 CE MET A 32 6.290 -6.316 10.353 1.00 0.00 C ATOM 0 H MET A 32 1.048 -6.027 8.103 1.00 0.00 H new ATOM 0 HA MET A 32 2.417 -5.128 10.409 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.117 -5.911 7.595 1.00 0.00 H new ATOM 0 HB3 MET A 32 4.326 -5.065 8.541 1.00 0.00 H new ATOM 0 HG2 MET A 32 2.927 -7.607 9.440 1.00 0.00 H new ATOM 0 HG3 MET A 32 4.485 -7.569 8.638 1.00 0.00 H new ATOM 0 HE1 MET A 32 6.818 -5.826 11.171 1.00 0.00 H new ATOM 0 HE2 MET A 32 6.827 -7.220 10.065 1.00 0.00 H new ATOM 0 HE3 MET A 32 6.234 -5.639 9.500 1.00 0.00 H new ATOM 562 N TYR A 33 2.197 -3.002 7.879 1.00 0.00 N ATOM 563 CA TYR A 33 2.296 -1.593 7.519 1.00 0.00 C ATOM 564 C TYR A 33 1.448 -0.733 8.453 1.00 0.00 C ATOM 565 O TYR A 33 1.699 0.460 8.613 1.00 0.00 O ATOM 566 CB TYR A 33 1.853 -1.384 6.069 1.00 0.00 C ATOM 567 CG TYR A 33 1.813 0.068 5.648 1.00 0.00 C ATOM 568 CD1 TYR A 33 2.822 0.947 6.020 1.00 0.00 C ATOM 569 CD2 TYR A 33 0.765 0.558 4.880 1.00 0.00 C ATOM 570 CE1 TYR A 33 2.786 2.274 5.638 1.00 0.00 C ATOM 571 CE2 TYR A 33 0.723 1.883 4.493 1.00 0.00 C ATOM 572 CZ TYR A 33 1.736 2.737 4.875 1.00 0.00 C ATOM 573 OH TYR A 33 1.697 4.059 4.493 1.00 0.00 O ATOM 0 H TYR A 33 1.883 -3.609 7.122 1.00 0.00 H new ATOM 0 HA TYR A 33 3.338 -1.289 7.620 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.531 -1.926 5.410 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.863 -1.819 5.935 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.647 0.588 6.617 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.030 -0.108 4.580 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.577 2.946 5.936 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.099 2.248 3.895 1.00 0.00 H new ATOM 0 HH TYR A 33 0.818 4.435 4.706 1.00 0.00 H new ATOM 583 N HIS A 34 0.445 -1.345 9.072 1.00 0.00 N ATOM 584 CA HIS A 34 -0.428 -0.628 9.990 1.00 0.00 C ATOM 585 C HIS A 34 0.215 -0.516 11.369 1.00 0.00 C ATOM 586 O HIS A 34 0.211 0.552 11.983 1.00 0.00 O ATOM 587 CB HIS A 34 -1.781 -1.333 10.098 1.00 0.00 C ATOM 588 CG HIS A 34 -2.754 -0.630 10.992 1.00 0.00 C ATOM 589 ND1 HIS A 34 -2.955 -0.984 12.309 1.00 0.00 N ATOM 590 CD2 HIS A 34 -3.584 0.410 10.751 1.00 0.00 C ATOM 591 CE1 HIS A 34 -3.870 -0.191 12.839 1.00 0.00 C ATOM 592 NE2 HIS A 34 -4.267 0.664 11.917 1.00 0.00 N ATOM 0 H HIS A 34 0.218 -2.332 8.955 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.584 0.377 9.597 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.215 -1.423 9.102 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.625 -2.346 10.470 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -2.473 -1.739 12.798 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.691 0.942 9.817 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.232 -0.236 13.856 1.00 0.00 H new ATOM 601 N GLN A 35 0.757 -1.628 11.855 1.00 0.00 N ATOM 602 CA GLN A 35 1.396 -1.662 13.167 1.00 0.00 C ATOM 603 C GLN A 35 2.801 -1.065 13.134 1.00 0.00 C ATOM 604 O GLN A 35 3.079 -0.070 13.805 1.00 0.00 O ATOM 605 CB GLN A 35 1.454 -3.099 13.689 1.00 0.00 C ATOM 606 CG GLN A 35 1.015 -3.240 15.138 1.00 0.00 C ATOM 607 CD GLN A 35 1.966 -2.562 16.104 1.00 0.00 C ATOM 608 OE1 GLN A 35 3.185 -2.664 15.969 1.00 0.00 O ATOM 609 NE2 GLN A 35 1.412 -1.865 17.090 1.00 0.00 N ATOM 0 H GLN A 35 0.767 -2.519 11.359 1.00 0.00 H new ATOM 0 HA GLN A 35 0.792 -1.053 13.839 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.822 -3.729 13.064 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.473 -3.472 13.589 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.019 -2.813 15.255 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.940 -4.298 15.390 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.396 -1.806 17.165 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.002 -1.389 17.772 1.00 0.00 H new ATOM 618 N THR A 36 3.684 -1.689 12.366 1.00 0.00 N ATOM 619 CA THR A 36 5.070 -1.231 12.262 1.00 0.00 C ATOM 620 C THR A 36 5.201 -0.015 11.348 1.00 0.00 C ATOM 621 O THR A 36 5.988 0.891 11.620 1.00 0.00 O ATOM 622 CB THR A 36 5.973 -2.363 11.764 1.00 0.00 C ATOM 623 OG1 THR A 36 7.306 -1.908 11.615 1.00 0.00 O ATOM 624 CG2 THR A 36 5.539 -2.946 10.437 1.00 0.00 C ATOM 0 H THR A 36 3.469 -2.513 11.805 1.00 0.00 H new ATOM 0 HA THR A 36 5.388 -0.931 13.261 1.00 0.00 H new ATOM 0 HB THR A 36 5.898 -3.142 12.522 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.869 -2.644 11.298 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.225 -3.742 10.148 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.531 -3.351 10.530 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.547 -2.165 9.676 1.00 0.00 H new ATOM 632 N MET A 37 4.436 -0.001 10.262 1.00 0.00 N ATOM 633 CA MET A 37 4.483 1.107 9.312 1.00 0.00 C ATOM 634 C MET A 37 5.828 1.148 8.592 1.00 0.00 C ATOM 635 O MET A 37 6.489 2.186 8.547 1.00 0.00 O ATOM 636 CB MET A 37 4.225 2.436 10.027 1.00 0.00 C ATOM 637 CG MET A 37 3.325 3.383 9.249 1.00 0.00 C ATOM 638 SD MET A 37 1.878 3.906 10.191 1.00 0.00 S ATOM 639 CE MET A 37 0.623 2.821 9.518 1.00 0.00 C ATOM 0 H MET A 37 3.778 -0.741 10.017 1.00 0.00 H new ATOM 0 HA MET A 37 3.700 0.950 8.570 1.00 0.00 H new ATOM 0 HB2 MET A 37 3.773 2.234 10.998 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.179 2.928 10.216 1.00 0.00 H new ATOM 0 HG2 MET A 37 3.898 4.262 8.955 1.00 0.00 H new ATOM 0 HG3 MET A 37 2.998 2.894 8.331 1.00 0.00 H new ATOM 0 HE1 MET A 37 -0.364 3.238 9.718 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.765 2.725 8.442 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.703 1.839 9.984 1.00 0.00 H new ATOM 649 N ASP A 38 6.226 0.012 8.030 1.00 0.00 N ATOM 650 CA ASP A 38 7.491 -0.084 7.310 1.00 0.00 C ATOM 651 C ASP A 38 7.257 -0.363 5.828 1.00 0.00 C ATOM 652 O ASP A 38 6.840 -1.458 5.451 1.00 0.00 O ATOM 653 CB ASP A 38 8.366 -1.183 7.915 1.00 0.00 C ATOM 654 CG ASP A 38 9.845 -0.903 7.746 1.00 0.00 C ATOM 655 OD1 ASP A 38 10.335 -0.969 6.598 1.00 0.00 O ATOM 656 OD2 ASP A 38 10.515 -0.615 8.761 1.00 0.00 O ATOM 0 H ASP A 38 5.691 -0.856 8.059 1.00 0.00 H new ATOM 0 HA ASP A 38 8.005 0.873 7.404 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.137 -1.283 8.976 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.124 -2.136 7.445 1.00 0.00 H new ATOM 661 N VAL A 39 7.531 0.634 4.994 1.00 0.00 N ATOM 662 CA VAL A 39 7.352 0.496 3.553 1.00 0.00 C ATOM 663 C VAL A 39 8.252 -0.597 2.985 1.00 0.00 C ATOM 664 O VAL A 39 7.982 -1.143 1.914 1.00 0.00 O ATOM 665 CB VAL A 39 7.647 1.818 2.820 1.00 0.00 C ATOM 666 CG1 VAL A 39 7.234 1.723 1.360 1.00 0.00 C ATOM 667 CG2 VAL A 39 6.943 2.979 3.506 1.00 0.00 C ATOM 0 H VAL A 39 7.878 1.546 5.291 1.00 0.00 H new ATOM 0 HA VAL A 39 6.309 0.223 3.392 1.00 0.00 H new ATOM 0 HB VAL A 39 8.721 2.001 2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.450 2.666 0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.789 0.919 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.166 1.515 1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.164 3.904 2.974 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.867 2.806 3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.293 3.060 4.535 1.00 0.00 H new ATOM 677 N ALA A 40 9.320 -0.922 3.711 1.00 0.00 N ATOM 678 CA ALA A 40 10.249 -1.955 3.279 1.00 0.00 C ATOM 679 C ALA A 40 9.640 -3.333 3.479 1.00 0.00 C ATOM 680 O ALA A 40 9.944 -4.273 2.746 1.00 0.00 O ATOM 681 CB ALA A 40 11.562 -1.838 4.038 1.00 0.00 C ATOM 0 H ALA A 40 9.560 -0.483 4.600 1.00 0.00 H new ATOM 0 HA ALA A 40 10.451 -1.818 2.217 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.246 -2.618 3.704 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.006 -0.860 3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.376 -1.952 5.106 1.00 0.00 H new ATOM 687 N VAL A 41 8.770 -3.443 4.477 1.00 0.00 N ATOM 688 CA VAL A 41 8.109 -4.701 4.773 1.00 0.00 C ATOM 689 C VAL A 41 6.986 -4.965 3.776 1.00 0.00 C ATOM 690 O VAL A 41 6.775 -6.101 3.348 1.00 0.00 O ATOM 691 CB VAL A 41 7.543 -4.716 6.208 1.00 0.00 C ATOM 692 CG1 VAL A 41 6.783 -6.007 6.481 1.00 0.00 C ATOM 693 CG2 VAL A 41 8.660 -4.527 7.222 1.00 0.00 C ATOM 0 H VAL A 41 8.508 -2.673 5.093 1.00 0.00 H new ATOM 0 HA VAL A 41 8.857 -5.490 4.689 1.00 0.00 H new ATOM 0 HB VAL A 41 6.843 -3.886 6.306 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.394 -5.992 7.499 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.955 -6.097 5.778 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.455 -6.857 6.362 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.243 -4.540 8.229 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.385 -5.334 7.119 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.153 -3.571 7.046 1.00 0.00 H new ATOM 703 N LEU A 42 6.274 -3.907 3.404 1.00 0.00 N ATOM 704 CA LEU A 42 5.178 -4.019 2.451 1.00 0.00 C ATOM 705 C LEU A 42 5.705 -4.431 1.080 1.00 0.00 C ATOM 706 O LEU A 42 5.142 -5.310 0.424 1.00 0.00 O ATOM 707 CB LEU A 42 4.426 -2.690 2.348 1.00 0.00 C ATOM 708 CG LEU A 42 2.992 -2.716 2.875 1.00 0.00 C ATOM 709 CD1 LEU A 42 2.442 -1.304 2.996 1.00 0.00 C ATOM 710 CD2 LEU A 42 2.107 -3.558 1.969 1.00 0.00 C ATOM 0 H LEU A 42 6.437 -2.961 3.749 1.00 0.00 H new ATOM 0 HA LEU A 42 4.489 -4.786 2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.984 -1.931 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.407 -2.381 1.303 1.00 0.00 H new ATOM 0 HG LEU A 42 2.998 -3.168 3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.420 -1.343 3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.061 -0.730 3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.450 -0.825 2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.089 -3.566 2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.107 -3.135 0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.489 -4.578 1.933 1.00 0.00 H new ATOM 722 N VAL A 43 6.788 -3.790 0.652 1.00 0.00 N ATOM 723 CA VAL A 43 7.393 -4.089 -0.640 1.00 0.00 C ATOM 724 C VAL A 43 7.973 -5.500 -0.662 1.00 0.00 C ATOM 725 O VAL A 43 7.828 -6.226 -1.645 1.00 0.00 O ATOM 726 CB VAL A 43 8.509 -3.084 -0.983 1.00 0.00 C ATOM 727 CG1 VAL A 43 9.014 -3.306 -2.401 1.00 0.00 C ATOM 728 CG2 VAL A 43 8.016 -1.654 -0.804 1.00 0.00 C ATOM 0 H VAL A 43 7.264 -3.060 1.182 1.00 0.00 H new ATOM 0 HA VAL A 43 6.601 -4.012 -1.385 1.00 0.00 H new ATOM 0 HB VAL A 43 9.340 -3.247 -0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.802 -2.586 -2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.410 -4.317 -2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.192 -3.174 -3.105 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.818 -0.959 -1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.167 -1.477 -1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.710 -1.502 0.231 1.00 0.00 H new ATOM 738 N GLY A 44 8.629 -5.883 0.430 1.00 0.00 N ATOM 739 CA GLY A 44 9.220 -7.205 0.515 1.00 0.00 C ATOM 740 C GLY A 44 8.199 -8.313 0.344 1.00 0.00 C ATOM 741 O GLY A 44 8.345 -9.173 -0.525 1.00 0.00 O ATOM 0 H GLY A 44 8.761 -5.301 1.257 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.990 -7.304 -0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.714 -7.317 1.480 1.00 0.00 H new ATOM 745 N ASP A 45 7.162 -8.292 1.175 1.00 0.00 N ATOM 746 CA ASP A 45 6.114 -9.304 1.112 1.00 0.00 C ATOM 747 C ASP A 45 5.409 -9.276 -0.239 1.00 0.00 C ATOM 748 O ASP A 45 5.160 -10.321 -0.844 1.00 0.00 O ATOM 749 CB ASP A 45 5.097 -9.085 2.234 1.00 0.00 C ATOM 750 CG ASP A 45 5.689 -9.338 3.608 1.00 0.00 C ATOM 751 OD1 ASP A 45 6.925 -9.238 3.749 1.00 0.00 O ATOM 752 OD2 ASP A 45 4.915 -9.636 4.542 1.00 0.00 O ATOM 0 H ASP A 45 7.025 -7.586 1.899 1.00 0.00 H new ATOM 0 HA ASP A 45 6.581 -10.281 1.238 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.721 -8.063 2.186 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.244 -9.746 2.082 1.00 0.00 H new ATOM 757 N LEU A 46 5.089 -8.074 -0.713 1.00 0.00 N ATOM 758 CA LEU A 46 4.412 -7.915 -1.995 1.00 0.00 C ATOM 759 C LEU A 46 5.134 -8.697 -3.088 1.00 0.00 C ATOM 760 O LEU A 46 4.501 -9.360 -3.910 1.00 0.00 O ATOM 761 CB LEU A 46 4.326 -6.433 -2.377 1.00 0.00 C ATOM 762 CG LEU A 46 3.058 -5.712 -1.911 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.138 -4.229 -2.234 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.822 -6.326 -2.554 1.00 0.00 C ATOM 0 H LEU A 46 5.288 -7.198 -0.229 1.00 0.00 H new ATOM 0 HA LEU A 46 3.401 -8.311 -1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.192 -5.917 -1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.395 -6.349 -3.462 1.00 0.00 H new ATOM 0 HG LEU A 46 2.979 -5.829 -0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.228 -3.733 -1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.999 -3.792 -1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.244 -4.096 -3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.933 -5.799 -2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.896 -6.242 -3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.751 -7.377 -2.276 1.00 0.00 H new ATOM 776 N LYS A 47 6.461 -8.626 -3.088 1.00 0.00 N ATOM 777 CA LYS A 47 7.264 -9.339 -4.076 1.00 0.00 C ATOM 778 C LYS A 47 7.137 -10.847 -3.884 1.00 0.00 C ATOM 779 O LYS A 47 6.872 -11.588 -4.833 1.00 0.00 O ATOM 780 CB LYS A 47 8.731 -8.919 -3.973 1.00 0.00 C ATOM 781 CG LYS A 47 9.064 -7.669 -4.771 1.00 0.00 C ATOM 782 CD LYS A 47 10.030 -6.766 -4.018 1.00 0.00 C ATOM 783 CE LYS A 47 11.315 -6.546 -4.802 1.00 0.00 C ATOM 784 NZ LYS A 47 12.180 -7.757 -4.801 1.00 0.00 N ATOM 0 H LYS A 47 7.003 -8.083 -2.416 1.00 0.00 H new ATOM 0 HA LYS A 47 6.893 -9.082 -5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.978 -8.748 -2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.360 -9.739 -4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.501 -7.953 -5.728 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.148 -7.121 -4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.554 -5.805 -3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.265 -7.209 -3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.072 -6.275 -5.829 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.863 -5.708 -4.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.045 -7.566 -5.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.434 -8.002 -3.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.666 -8.551 -5.234 1.00 0.00 H new ATOM 798 N LEU A 48 7.318 -11.295 -2.643 1.00 0.00 N ATOM 799 CA LEU A 48 7.217 -12.714 -2.320 1.00 0.00 C ATOM 800 C LEU A 48 5.904 -13.290 -2.843 1.00 0.00 C ATOM 801 O LEU A 48 5.810 -14.482 -3.134 1.00 0.00 O ATOM 802 CB LEU A 48 7.315 -12.925 -0.808 1.00 0.00 C ATOM 803 CG LEU A 48 8.737 -13.096 -0.270 1.00 0.00 C ATOM 804 CD1 LEU A 48 8.800 -12.699 1.197 1.00 0.00 C ATOM 805 CD2 LEU A 48 9.209 -14.529 -0.459 1.00 0.00 C ATOM 0 H LEU A 48 7.535 -10.696 -1.847 1.00 0.00 H new ATOM 0 HA LEU A 48 8.044 -13.234 -2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.853 -12.074 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.733 -13.807 -0.541 1.00 0.00 H new ATOM 0 HG LEU A 48 9.402 -12.440 -0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.818 -12.826 1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.503 -11.656 1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.124 -13.330 1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.222 -14.633 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.544 -15.205 0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.200 -14.778 -1.520 1.00 0.00 H new ATOM 817 N VAL A 49 4.900 -12.428 -2.974 1.00 0.00 N ATOM 818 CA VAL A 49 3.601 -12.842 -3.479 1.00 0.00 C ATOM 819 C VAL A 49 3.471 -12.488 -4.955 1.00 0.00 C ATOM 820 O VAL A 49 2.759 -13.154 -5.705 1.00 0.00 O ATOM 821 CB VAL A 49 2.453 -12.178 -2.696 1.00 0.00 C ATOM 822 CG1 VAL A 49 1.106 -12.727 -3.148 1.00 0.00 C ATOM 823 CG2 VAL A 49 2.642 -12.377 -1.200 1.00 0.00 C ATOM 0 H VAL A 49 4.964 -11.438 -2.736 1.00 0.00 H new ATOM 0 HA VAL A 49 3.530 -13.922 -3.350 1.00 0.00 H new ATOM 0 HB VAL A 49 2.470 -11.108 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.308 -12.245 -2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.970 -12.527 -4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.075 -13.803 -2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.821 -11.901 -0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.654 -13.443 -0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.586 -11.930 -0.890 1.00 0.00 H new ATOM 833 N ILE A 50 4.175 -11.437 -5.365 1.00 0.00 N ATOM 834 CA ILE A 50 4.147 -10.991 -6.751 1.00 0.00 C ATOM 835 C ILE A 50 5.393 -11.449 -7.503 1.00 0.00 C ATOM 836 O ILE A 50 5.781 -10.860 -8.512 1.00 0.00 O ATOM 837 CB ILE A 50 4.029 -9.458 -6.845 1.00 0.00 C ATOM 838 CG1 ILE A 50 2.841 -8.963 -6.021 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.887 -9.020 -8.293 1.00 0.00 C ATOM 840 CD1 ILE A 50 3.032 -7.569 -5.469 1.00 0.00 C ATOM 0 H ILE A 50 4.772 -10.879 -4.755 1.00 0.00 H new ATOM 0 HA ILE A 50 3.268 -11.441 -7.212 1.00 0.00 H new ATOM 0 HB ILE A 50 4.941 -9.018 -6.440 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.945 -8.980 -6.642 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.669 -9.653 -5.195 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.805 -7.934 -8.338 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.762 -9.342 -8.858 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.992 -9.470 -8.723 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.151 -7.281 -4.895 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.909 -7.551 -4.822 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.174 -6.868 -6.292 1.00 0.00 H new ATOM 852 N ASN A 51 6.011 -12.509 -7.005 1.00 0.00 N ATOM 853 CA ASN A 51 7.212 -13.063 -7.625 1.00 0.00 C ATOM 854 C ASN A 51 7.036 -13.194 -9.137 1.00 0.00 C ATOM 855 O ASN A 51 8.002 -13.104 -9.895 1.00 0.00 O ATOM 856 CB ASN A 51 7.541 -14.429 -7.018 1.00 0.00 C ATOM 857 CG ASN A 51 8.459 -14.321 -5.815 1.00 0.00 C ATOM 858 OD1 ASN A 51 8.161 -14.845 -4.742 1.00 0.00 O ATOM 859 ND2 ASN A 51 9.583 -13.637 -5.990 1.00 0.00 N ATOM 0 H ASN A 51 5.702 -13.007 -6.170 1.00 0.00 H new ATOM 0 HA ASN A 51 8.038 -12.378 -7.432 1.00 0.00 H new ATOM 0 HB2 ASN A 51 6.616 -14.925 -6.723 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.011 -15.056 -7.775 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.240 -13.529 -5.217 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.790 -13.219 -6.897 1.00 0.00 H new ATOM 866 N GLU A 52 5.793 -13.402 -9.565 1.00 0.00 N ATOM 867 CA GLU A 52 5.486 -13.537 -10.984 1.00 0.00 C ATOM 868 C GLU A 52 4.888 -12.241 -11.531 1.00 0.00 C ATOM 869 O GLU A 52 4.154 -11.544 -10.830 1.00 0.00 O ATOM 870 CB GLU A 52 4.513 -14.696 -11.208 1.00 0.00 C ATOM 871 CG GLU A 52 5.150 -16.066 -11.041 1.00 0.00 C ATOM 872 CD GLU A 52 5.809 -16.561 -12.314 1.00 0.00 C ATOM 873 OE1 GLU A 52 6.459 -15.745 -13.002 1.00 0.00 O ATOM 874 OE2 GLU A 52 5.677 -17.765 -12.621 1.00 0.00 O ATOM 0 H GLU A 52 4.984 -13.480 -8.949 1.00 0.00 H new ATOM 0 HA GLU A 52 6.414 -13.745 -11.517 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.683 -14.603 -10.508 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.094 -14.619 -12.211 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.893 -16.023 -10.245 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.389 -16.781 -10.728 1.00 0.00 H new ATOM 881 N PRO A 53 5.196 -11.897 -12.794 1.00 0.00 N ATOM 882 CA PRO A 53 4.684 -10.675 -13.426 1.00 0.00 C ATOM 883 C PRO A 53 3.160 -10.603 -13.415 1.00 0.00 C ATOM 884 O PRO A 53 2.580 -9.519 -13.482 1.00 0.00 O ATOM 885 CB PRO A 53 5.200 -10.769 -14.867 1.00 0.00 C ATOM 886 CG PRO A 53 6.372 -11.683 -14.797 1.00 0.00 C ATOM 887 CD PRO A 53 6.066 -12.665 -13.703 1.00 0.00 C ATOM 0 HA PRO A 53 5.015 -9.782 -12.896 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.434 -11.160 -15.536 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.486 -9.789 -15.249 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.526 -12.193 -15.748 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.286 -11.130 -14.580 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.563 -13.552 -14.088 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.972 -13.004 -13.202 1.00 0.00 H new ATOM 895 N SER A 54 2.516 -11.761 -13.336 1.00 0.00 N ATOM 896 CA SER A 54 1.058 -11.830 -13.323 1.00 0.00 C ATOM 897 C SER A 54 0.474 -11.035 -12.158 1.00 0.00 C ATOM 898 O SER A 54 -0.566 -10.390 -12.297 1.00 0.00 O ATOM 899 CB SER A 54 0.597 -13.287 -13.238 1.00 0.00 C ATOM 900 OG SER A 54 0.874 -13.836 -11.963 1.00 0.00 O ATOM 0 H SER A 54 2.980 -12.667 -13.280 1.00 0.00 H new ATOM 0 HA SER A 54 0.696 -11.390 -14.252 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.473 -13.345 -13.438 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.097 -13.875 -14.007 1.00 0.00 H new ATOM 0 HG SER A 54 0.568 -14.767 -11.934 1.00 0.00 H new ATOM 906 N ARG A 55 1.142 -11.089 -11.010 1.00 0.00 N ATOM 907 CA ARG A 55 0.681 -10.378 -9.821 1.00 0.00 C ATOM 908 C ARG A 55 1.220 -8.946 -9.770 1.00 0.00 C ATOM 909 O ARG A 55 1.152 -8.290 -8.732 1.00 0.00 O ATOM 910 CB ARG A 55 1.100 -11.137 -8.561 1.00 0.00 C ATOM 911 CG ARG A 55 0.103 -12.203 -8.134 1.00 0.00 C ATOM 912 CD ARG A 55 0.805 -13.438 -7.591 1.00 0.00 C ATOM 913 NE ARG A 55 0.241 -14.671 -8.133 1.00 0.00 N ATOM 914 CZ ARG A 55 0.829 -15.861 -8.034 1.00 0.00 C ATOM 915 NH1 ARG A 55 1.999 -15.981 -7.417 1.00 0.00 N ATOM 916 NH2 ARG A 55 0.247 -16.934 -8.553 1.00 0.00 N ATOM 0 H ARG A 55 2.004 -11.617 -10.877 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.406 -10.323 -9.870 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.069 -11.606 -8.734 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.231 -10.426 -7.745 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.562 -11.796 -7.372 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.520 -12.482 -8.984 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.866 -13.388 -7.834 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.727 -13.451 -6.504 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.656 -14.617 -8.616 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.451 -15.159 -7.016 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.446 -16.895 -7.344 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.651 -16.847 -9.028 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.698 -17.846 -8.477 1.00 0.00 H new ATOM 930 N LEU A 56 1.751 -8.467 -10.891 1.00 0.00 N ATOM 931 CA LEU A 56 2.298 -7.114 -10.966 1.00 0.00 C ATOM 932 C LEU A 56 1.287 -6.066 -10.493 1.00 0.00 C ATOM 933 O LEU A 56 1.601 -5.238 -9.637 1.00 0.00 O ATOM 934 CB LEU A 56 2.737 -6.802 -12.398 1.00 0.00 C ATOM 935 CG LEU A 56 4.194 -7.142 -12.716 1.00 0.00 C ATOM 936 CD1 LEU A 56 4.380 -7.357 -14.211 1.00 0.00 C ATOM 937 CD2 LEU A 56 5.117 -6.042 -12.216 1.00 0.00 C ATOM 0 H LEU A 56 1.815 -8.995 -11.761 1.00 0.00 H new ATOM 0 HA LEU A 56 3.161 -7.071 -10.302 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.093 -7.349 -13.087 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.578 -5.741 -12.588 1.00 0.00 H new ATOM 0 HG LEU A 56 4.451 -8.069 -12.203 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.423 -7.598 -14.417 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.746 -8.179 -14.542 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.105 -6.448 -14.746 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.150 -6.299 -12.450 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.858 -5.101 -12.702 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.005 -5.936 -11.137 1.00 0.00 H new ATOM 949 N PRO A 57 0.058 -6.073 -11.050 1.00 0.00 N ATOM 950 CA PRO A 57 -0.994 -5.118 -10.697 1.00 0.00 C ATOM 951 C PRO A 57 -1.047 -4.786 -9.204 1.00 0.00 C ATOM 952 O PRO A 57 -1.481 -3.699 -8.824 1.00 0.00 O ATOM 953 CB PRO A 57 -2.291 -5.821 -11.137 1.00 0.00 C ATOM 954 CG PRO A 57 -1.878 -7.116 -11.769 1.00 0.00 C ATOM 955 CD PRO A 57 -0.413 -6.999 -12.084 1.00 0.00 C ATOM 0 HA PRO A 57 -0.823 -4.156 -11.181 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.946 -5.997 -10.284 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.847 -5.204 -11.843 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.062 -7.952 -11.094 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.454 -7.305 -12.675 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.093 -7.963 -12.027 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.243 -6.608 -13.087 1.00 0.00 H new ATOM 963 N LEU A 58 -0.613 -5.718 -8.360 1.00 0.00 N ATOM 964 CA LEU A 58 -0.628 -5.498 -6.914 1.00 0.00 C ATOM 965 C LEU A 58 0.097 -4.207 -6.544 1.00 0.00 C ATOM 966 O LEU A 58 -0.277 -3.525 -5.589 1.00 0.00 O ATOM 967 CB LEU A 58 0.009 -6.684 -6.185 1.00 0.00 C ATOM 968 CG LEU A 58 -0.877 -7.338 -5.122 1.00 0.00 C ATOM 969 CD1 LEU A 58 -0.174 -8.534 -4.501 1.00 0.00 C ATOM 970 CD2 LEU A 58 -1.257 -6.326 -4.052 1.00 0.00 C ATOM 0 H LEU A 58 -0.249 -6.626 -8.648 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.668 -5.407 -6.602 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.285 -7.439 -6.921 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.932 -6.348 -5.712 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.789 -7.690 -5.603 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.820 -8.985 -3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.048 -9.268 -5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.755 -8.208 -4.034 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.887 -6.807 -3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.354 -5.944 -3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.803 -5.501 -4.509 1.00 0.00 H new ATOM 982 N PHE A 59 1.133 -3.872 -7.304 1.00 0.00 N ATOM 983 CA PHE A 59 1.904 -2.659 -7.050 1.00 0.00 C ATOM 984 C PHE A 59 1.061 -1.416 -7.320 1.00 0.00 C ATOM 985 O PHE A 59 0.969 -0.519 -6.479 1.00 0.00 O ATOM 986 CB PHE A 59 3.160 -2.635 -7.922 1.00 0.00 C ATOM 987 CG PHE A 59 4.014 -3.863 -7.782 1.00 0.00 C ATOM 988 CD1 PHE A 59 4.262 -4.414 -6.536 1.00 0.00 C ATOM 989 CD2 PHE A 59 4.572 -4.465 -8.900 1.00 0.00 C ATOM 990 CE1 PHE A 59 5.049 -5.543 -6.405 1.00 0.00 C ATOM 991 CE2 PHE A 59 5.360 -5.594 -8.774 1.00 0.00 C ATOM 992 CZ PHE A 59 5.599 -6.133 -7.524 1.00 0.00 C ATOM 0 H PHE A 59 1.459 -4.421 -8.099 1.00 0.00 H new ATOM 0 HA PHE A 59 2.199 -2.658 -6.001 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.865 -2.525 -8.966 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.754 -1.758 -7.664 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.835 -3.956 -5.656 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.389 -4.048 -9.879 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.233 -5.963 -5.427 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.789 -6.054 -9.652 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.215 -7.014 -7.424 1.00 0.00 H new ATOM 1002 N ASP A 60 0.437 -1.374 -8.493 1.00 0.00 N ATOM 1003 CA ASP A 60 -0.404 -0.244 -8.870 1.00 0.00 C ATOM 1004 C ASP A 60 -1.734 -0.296 -8.128 1.00 0.00 C ATOM 1005 O ASP A 60 -2.415 0.717 -7.981 1.00 0.00 O ATOM 1006 CB ASP A 60 -0.648 -0.243 -10.381 1.00 0.00 C ATOM 1007 CG ASP A 60 0.346 0.628 -11.126 1.00 0.00 C ATOM 1008 OD1 ASP A 60 1.564 0.383 -10.995 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -0.095 1.554 -11.838 1.00 0.00 O ATOM 0 H ASP A 60 0.498 -2.109 -9.198 1.00 0.00 H new ATOM 0 HA ASP A 60 0.114 0.675 -8.595 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.586 -1.264 -10.757 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.659 0.110 -10.583 1.00 0.00 H new ATOM 1014 N ALA A 61 -2.097 -1.486 -7.667 1.00 0.00 N ATOM 1015 CA ALA A 61 -3.340 -1.682 -6.936 1.00 0.00 C ATOM 1016 C ALA A 61 -3.302 -0.996 -5.572 1.00 0.00 C ATOM 1017 O ALA A 61 -4.219 -0.260 -5.213 1.00 0.00 O ATOM 1018 CB ALA A 61 -3.612 -3.168 -6.776 1.00 0.00 C ATOM 0 H ALA A 61 -1.544 -2.334 -7.788 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.148 -1.227 -7.509 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.543 -3.310 -6.228 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.695 -3.631 -7.759 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.793 -3.631 -6.225 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.246 -1.275 -4.809 1.00 0.00 N ATOM 1025 CA ILE A 62 -2.077 -0.714 -3.467 1.00 0.00 C ATOM 1026 C ILE A 62 -1.632 0.753 -3.483 1.00 0.00 C ATOM 1027 O ILE A 62 -2.017 1.534 -2.613 1.00 0.00 O ATOM 1028 CB ILE A 62 -1.061 -1.531 -2.643 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -1.325 -3.034 -2.788 1.00 0.00 C ATOM 1030 CG2 ILE A 62 -1.119 -1.125 -1.178 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -0.106 -3.888 -2.521 1.00 0.00 C ATOM 0 H ILE A 62 -1.488 -1.892 -5.100 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.062 -0.766 -3.003 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.063 -1.320 -3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.120 -3.323 -2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.687 -3.236 -3.796 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.396 -1.710 -0.609 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.882 -0.065 -1.084 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.121 -1.308 -0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.365 -4.940 -2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.683 -3.626 -3.225 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.244 -3.715 -1.503 1.00 0.00 H new ATOM 1043 N ARG A 63 -0.792 1.113 -4.453 1.00 0.00 N ATOM 1044 CA ARG A 63 -0.260 2.476 -4.557 1.00 0.00 C ATOM 1045 C ARG A 63 -1.325 3.577 -4.396 1.00 0.00 C ATOM 1046 O ARG A 63 -1.041 4.621 -3.809 1.00 0.00 O ATOM 1047 CB ARG A 63 0.507 2.655 -5.879 1.00 0.00 C ATOM 1048 CG ARG A 63 -0.360 2.990 -7.085 1.00 0.00 C ATOM 1049 CD ARG A 63 0.429 3.737 -8.148 1.00 0.00 C ATOM 1050 NE ARG A 63 -0.357 3.958 -9.359 1.00 0.00 N ATOM 1051 CZ ARG A 63 -0.047 4.859 -10.289 1.00 0.00 C ATOM 1052 NH1 ARG A 63 1.030 5.623 -10.152 1.00 0.00 N ATOM 1053 NH2 ARG A 63 -0.818 4.997 -11.360 1.00 0.00 N ATOM 0 H ARG A 63 -0.463 0.479 -5.181 1.00 0.00 H new ATOM 0 HA ARG A 63 0.423 2.597 -3.716 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.245 3.447 -5.749 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.057 1.738 -6.089 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.765 2.071 -7.509 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.209 3.596 -6.767 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.757 4.697 -7.749 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.327 3.172 -8.397 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.192 3.389 -9.500 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.626 5.522 -9.330 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.262 6.311 -10.868 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.647 4.413 -11.470 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.582 5.687 -12.073 1.00 0.00 H new ATOM 1067 N PRO A 64 -2.556 3.386 -4.912 1.00 0.00 N ATOM 1068 CA PRO A 64 -3.613 4.402 -4.806 1.00 0.00 C ATOM 1069 C PRO A 64 -3.923 4.772 -3.360 1.00 0.00 C ATOM 1070 O PRO A 64 -3.903 5.948 -2.995 1.00 0.00 O ATOM 1071 CB PRO A 64 -4.825 3.732 -5.464 1.00 0.00 C ATOM 1072 CG PRO A 64 -4.239 2.695 -6.356 1.00 0.00 C ATOM 1073 CD PRO A 64 -3.020 2.196 -5.638 1.00 0.00 C ATOM 0 HA PRO A 64 -3.322 5.340 -5.280 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.486 3.288 -4.720 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.419 4.451 -6.028 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.947 1.886 -6.537 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.979 3.114 -7.328 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.258 1.376 -4.960 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.265 1.827 -6.332 1.00 0.00 H new ATOM 1081 N LEU A 65 -4.200 3.768 -2.538 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.502 4.000 -1.130 1.00 0.00 C ATOM 1083 C LEU A 65 -3.243 4.401 -0.364 1.00 0.00 C ATOM 1084 O LEU A 65 -3.321 4.977 0.723 1.00 0.00 O ATOM 1085 CB LEU A 65 -5.123 2.751 -0.504 1.00 0.00 C ATOM 1086 CG LEU A 65 -4.273 1.484 -0.603 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -4.344 0.688 0.693 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -4.723 0.632 -1.780 1.00 0.00 C ATOM 0 H LEU A 65 -4.222 2.788 -2.820 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.219 4.818 -1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.325 2.953 0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.084 2.563 -0.983 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.236 1.777 -0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.733 -0.210 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.972 1.299 1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.378 0.405 0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.107 -0.266 -1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.767 0.348 -1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.618 1.202 -2.703 1.00 0.00 H new ATOM 1100 N ILE A 66 -2.082 4.096 -0.939 1.00 0.00 N ATOM 1101 CA ILE A 66 -0.804 4.424 -0.319 1.00 0.00 C ATOM 1102 C ILE A 66 -0.525 5.927 -0.409 1.00 0.00 C ATOM 1103 O ILE A 66 -0.691 6.534 -1.467 1.00 0.00 O ATOM 1104 CB ILE A 66 0.351 3.640 -0.989 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.293 2.165 -0.587 1.00 0.00 C ATOM 1106 CG2 ILE A 66 1.707 4.232 -0.627 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.391 1.328 -1.208 1.00 0.00 C ATOM 0 H ILE A 66 -2.002 3.620 -1.838 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.863 4.137 0.731 1.00 0.00 H new ATOM 0 HB ILE A 66 0.228 3.720 -2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.359 2.089 0.498 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.674 1.755 -0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.496 3.658 -1.113 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.753 5.268 -0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.844 4.193 0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.289 0.293 -0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.313 1.374 -2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.362 1.713 -0.897 1.00 0.00 H new ATOM 1119 N PRO A 67 -0.083 6.548 0.703 1.00 0.00 N ATOM 1120 CA PRO A 67 0.230 7.980 0.741 1.00 0.00 C ATOM 1121 C PRO A 67 1.015 8.441 -0.463 1.00 0.00 C ATOM 1122 O PRO A 67 1.971 7.804 -0.901 1.00 0.00 O ATOM 1123 CB PRO A 67 1.060 8.122 2.016 1.00 0.00 C ATOM 1124 CG PRO A 67 0.550 7.044 2.910 1.00 0.00 C ATOM 1125 CD PRO A 67 0.156 5.900 2.010 1.00 0.00 C ATOM 0 HA PRO A 67 -0.671 8.593 0.729 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.124 8.000 1.813 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.932 9.106 2.467 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.316 6.734 3.621 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.303 7.393 3.492 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.945 5.150 1.947 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.737 5.393 2.375 1.00 0.00 H new ATOM 1133 N LEU A 68 0.575 9.568 -0.982 1.00 0.00 N ATOM 1134 CA LEU A 68 1.173 10.187 -2.137 1.00 0.00 C ATOM 1135 C LEU A 68 2.685 10.318 -1.986 1.00 0.00 C ATOM 1136 O LEU A 68 3.418 10.323 -2.976 1.00 0.00 O ATOM 1137 CB LEU A 68 0.524 11.549 -2.296 1.00 0.00 C ATOM 1138 CG LEU A 68 -0.528 11.635 -3.395 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -1.099 13.042 -3.480 1.00 0.00 C ATOM 1140 CD2 LEU A 68 0.057 11.209 -4.732 1.00 0.00 C ATOM 0 H LEU A 68 -0.220 10.084 -0.605 1.00 0.00 H new ATOM 0 HA LEU A 68 1.008 9.572 -3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.062 11.828 -1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.302 12.284 -2.500 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.340 10.952 -3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.848 13.083 -4.270 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.560 13.306 -2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.298 13.747 -3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.710 11.278 -5.503 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.890 11.863 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.411 10.180 -4.663 1.00 0.00 H new ATOM 1152 N LYS A 69 3.151 10.396 -0.747 1.00 0.00 N ATOM 1153 CA LYS A 69 4.578 10.492 -0.480 1.00 0.00 C ATOM 1154 C LYS A 69 5.173 9.092 -0.398 1.00 0.00 C ATOM 1155 O LYS A 69 6.314 8.855 -0.810 1.00 0.00 O ATOM 1156 CB LYS A 69 4.835 11.256 0.821 1.00 0.00 C ATOM 1157 CG LYS A 69 4.254 10.580 2.052 1.00 0.00 C ATOM 1158 CD LYS A 69 3.968 11.588 3.155 1.00 0.00 C ATOM 1159 CE LYS A 69 3.620 10.898 4.464 1.00 0.00 C ATOM 1160 NZ LYS A 69 2.176 10.545 4.540 1.00 0.00 N ATOM 0 H LYS A 69 2.563 10.395 0.086 1.00 0.00 H new ATOM 0 HA LYS A 69 5.054 11.040 -1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.910 11.375 0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.412 12.257 0.734 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.334 10.061 1.784 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.951 9.826 2.418 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.839 12.227 3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.144 12.235 2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.220 9.994 4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.878 11.551 5.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.833 10.695 5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.637 11.147 3.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.048 9.547 4.278 1.00 0.00 H new ATOM 1174 N HIS A 70 4.378 8.163 0.122 1.00 0.00 N ATOM 1175 CA HIS A 70 4.799 6.780 0.254 1.00 0.00 C ATOM 1176 C HIS A 70 4.815 6.090 -1.105 1.00 0.00 C ATOM 1177 O HIS A 70 5.647 5.220 -1.353 1.00 0.00 O ATOM 1178 CB HIS A 70 3.876 6.031 1.215 1.00 0.00 C ATOM 1179 CG HIS A 70 4.108 6.385 2.651 1.00 0.00 C ATOM 1180 ND1 HIS A 70 3.482 5.742 3.697 1.00 0.00 N ATOM 1181 CD2 HIS A 70 4.908 7.323 3.211 1.00 0.00 C ATOM 1182 CE1 HIS A 70 3.886 6.271 4.840 1.00 0.00 C ATOM 1183 NE2 HIS A 70 4.751 7.231 4.572 1.00 0.00 N ATOM 0 H HIS A 70 3.434 8.348 0.460 1.00 0.00 H new ATOM 0 HA HIS A 70 5.811 6.769 0.659 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.840 6.248 0.957 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.019 4.958 1.084 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.812 4.978 3.604 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.550 8.014 2.685 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.563 5.969 5.825 1.00 0.00 H new ATOM 1192 N GLN A 71 3.905 6.489 -1.991 1.00 0.00 N ATOM 1193 CA GLN A 71 3.850 5.902 -3.322 1.00 0.00 C ATOM 1194 C GLN A 71 5.119 6.252 -4.089 1.00 0.00 C ATOM 1195 O GLN A 71 5.657 5.434 -4.835 1.00 0.00 O ATOM 1196 CB GLN A 71 2.611 6.384 -4.084 1.00 0.00 C ATOM 1197 CG GLN A 71 2.641 7.858 -4.446 1.00 0.00 C ATOM 1198 CD GLN A 71 1.587 8.229 -5.470 1.00 0.00 C ATOM 1199 OE1 GLN A 71 1.881 8.884 -6.471 1.00 0.00 O ATOM 1200 NE2 GLN A 71 0.351 7.811 -5.227 1.00 0.00 N ATOM 0 H GLN A 71 3.204 7.208 -1.812 1.00 0.00 H new ATOM 0 HA GLN A 71 3.779 4.819 -3.223 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.509 5.798 -4.998 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.726 6.187 -3.479 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.492 8.453 -3.545 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.627 8.112 -4.836 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.152 7.271 -4.385 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.399 8.030 -5.882 1.00 0.00 H new ATOM 1209 N VAL A 72 5.605 7.472 -3.878 1.00 0.00 N ATOM 1210 CA VAL A 72 6.825 7.928 -4.527 1.00 0.00 C ATOM 1211 C VAL A 72 8.004 7.092 -4.056 1.00 0.00 C ATOM 1212 O VAL A 72 8.666 6.429 -4.854 1.00 0.00 O ATOM 1213 CB VAL A 72 7.118 9.407 -4.227 1.00 0.00 C ATOM 1214 CG1 VAL A 72 8.137 9.960 -5.212 1.00 0.00 C ATOM 1215 CG2 VAL A 72 5.840 10.235 -4.248 1.00 0.00 C ATOM 0 H VAL A 72 5.171 8.160 -3.263 1.00 0.00 H new ATOM 0 HA VAL A 72 6.681 7.816 -5.602 1.00 0.00 H new ATOM 0 HB VAL A 72 7.540 9.471 -3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.332 11.008 -4.984 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.064 9.393 -5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.746 9.876 -6.226 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.078 11.277 -4.033 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.377 10.165 -5.232 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.149 9.857 -3.494 1.00 0.00 H new ATOM 1225 N GLU A 73 8.251 7.112 -2.748 1.00 0.00 N ATOM 1226 CA GLU A 73 9.340 6.329 -2.177 1.00 0.00 C ATOM 1227 C GLU A 73 9.129 4.860 -2.502 1.00 0.00 C ATOM 1228 O GLU A 73 10.079 4.126 -2.780 1.00 0.00 O ATOM 1229 CB GLU A 73 9.421 6.536 -0.663 1.00 0.00 C ATOM 1230 CG GLU A 73 10.593 5.818 -0.014 1.00 0.00 C ATOM 1231 CD GLU A 73 10.781 6.206 1.440 1.00 0.00 C ATOM 1232 OE1 GLU A 73 9.788 6.611 2.078 1.00 0.00 O ATOM 1233 OE2 GLU A 73 11.921 6.103 1.939 1.00 0.00 O ATOM 0 H GLU A 73 7.717 7.657 -2.071 1.00 0.00 H new ATOM 0 HA GLU A 73 10.283 6.662 -2.611 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.498 7.603 -0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.494 6.188 -0.207 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.438 4.741 -0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.504 6.044 -0.567 1.00 0.00 H new ATOM 1240 N TYR A 74 7.866 4.448 -2.503 1.00 0.00 N ATOM 1241 CA TYR A 74 7.514 3.079 -2.836 1.00 0.00 C ATOM 1242 C TYR A 74 8.049 2.754 -4.223 1.00 0.00 C ATOM 1243 O TYR A 74 8.459 1.627 -4.499 1.00 0.00 O ATOM 1244 CB TYR A 74 5.997 2.886 -2.794 1.00 0.00 C ATOM 1245 CG TYR A 74 5.547 1.495 -3.179 1.00 0.00 C ATOM 1246 CD1 TYR A 74 5.881 0.396 -2.396 1.00 0.00 C ATOM 1247 CD2 TYR A 74 4.788 1.280 -4.322 1.00 0.00 C ATOM 1248 CE1 TYR A 74 5.471 -0.876 -2.744 1.00 0.00 C ATOM 1249 CE2 TYR A 74 4.374 0.011 -4.674 1.00 0.00 C ATOM 1250 CZ TYR A 74 4.717 -1.063 -3.883 1.00 0.00 C ATOM 1251 OH TYR A 74 4.305 -2.329 -4.230 1.00 0.00 O ATOM 0 H TYR A 74 7.071 5.045 -2.276 1.00 0.00 H new ATOM 0 HA TYR A 74 7.959 2.405 -2.104 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.640 3.108 -1.788 1.00 0.00 H new ATOM 0 HB3 TYR A 74 5.530 3.607 -3.464 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.470 0.539 -1.502 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.517 2.119 -4.946 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.740 -1.720 -2.127 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.784 -0.139 -5.566 1.00 0.00 H new ATOM 0 HH TYR A 74 4.633 -2.545 -5.128 1.00 0.00 H new ATOM 1261 N ASP A 75 8.061 3.769 -5.087 1.00 0.00 N ATOM 1262 CA ASP A 75 8.568 3.608 -6.440 1.00 0.00 C ATOM 1263 C ASP A 75 10.089 3.495 -6.415 1.00 0.00 C ATOM 1264 O ASP A 75 10.676 2.668 -7.111 1.00 0.00 O ATOM 1265 CB ASP A 75 8.142 4.785 -7.320 1.00 0.00 C ATOM 1266 CG ASP A 75 6.638 4.971 -7.349 1.00 0.00 C ATOM 1267 OD1 ASP A 75 5.918 3.965 -7.528 1.00 0.00 O ATOM 1268 OD2 ASP A 75 6.178 6.122 -7.190 1.00 0.00 O ATOM 0 H ASP A 75 7.725 4.707 -4.870 1.00 0.00 H new ATOM 0 HA ASP A 75 8.149 2.694 -6.862 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.611 5.698 -6.953 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.505 4.626 -8.335 1.00 0.00 H new ATOM 1273 N GLN A 76 10.725 4.328 -5.597 1.00 0.00 N ATOM 1274 CA GLN A 76 12.176 4.308 -5.475 1.00 0.00 C ATOM 1275 C GLN A 76 12.651 2.993 -4.860 1.00 0.00 C ATOM 1276 O GLN A 76 13.832 2.655 -4.935 1.00 0.00 O ATOM 1277 CB GLN A 76 12.656 5.484 -4.624 1.00 0.00 C ATOM 1278 CG GLN A 76 12.250 6.842 -5.178 1.00 0.00 C ATOM 1279 CD GLN A 76 13.121 7.968 -4.661 1.00 0.00 C ATOM 1280 OE1 GLN A 76 14.349 7.896 -4.721 1.00 0.00 O ATOM 1281 NE2 GLN A 76 12.489 9.016 -4.145 1.00 0.00 N ATOM 0 H GLN A 76 10.260 5.022 -5.012 1.00 0.00 H new ATOM 0 HA GLN A 76 12.600 4.397 -6.475 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.257 5.378 -3.615 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.742 5.444 -4.543 1.00 0.00 H new ATOM 0 HG2 GLN A 76 12.304 6.817 -6.266 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.211 7.041 -4.915 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.470 9.033 -4.116 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.023 9.804 -3.778 1.00 0.00 H new ATOM 1290 N LEU A 77 11.727 2.257 -4.244 1.00 0.00 N ATOM 1291 CA LEU A 77 12.059 0.988 -3.608 1.00 0.00 C ATOM 1292 C LEU A 77 11.869 -0.194 -4.555 1.00 0.00 C ATOM 1293 O LEU A 77 12.656 -1.139 -4.542 1.00 0.00 O ATOM 1294 CB LEU A 77 11.208 0.789 -2.353 1.00 0.00 C ATOM 1295 CG LEU A 77 11.435 1.819 -1.246 1.00 0.00 C ATOM 1296 CD1 LEU A 77 10.191 1.950 -0.379 1.00 0.00 C ATOM 1297 CD2 LEU A 77 12.638 1.434 -0.398 1.00 0.00 C ATOM 0 H LEU A 77 10.744 2.519 -4.173 1.00 0.00 H new ATOM 0 HA LEU A 77 13.113 1.027 -3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.156 0.811 -2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.408 -0.204 -1.951 1.00 0.00 H new ATOM 0 HG LEU A 77 11.636 2.785 -1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.369 2.687 0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.351 2.271 -0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.961 0.986 0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.785 2.178 0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.465 0.458 0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.527 1.389 -1.027 1.00 0.00 H new ATOM 1309 N THR A 78 10.815 -0.148 -5.367 1.00 0.00 N ATOM 1310 CA THR A 78 10.535 -1.237 -6.300 1.00 0.00 C ATOM 1311 C THR A 78 10.993 -0.903 -7.724 1.00 0.00 C ATOM 1312 O THR A 78 12.007 -1.426 -8.190 1.00 0.00 O ATOM 1313 CB THR A 78 9.048 -1.605 -6.272 1.00 0.00 C ATOM 1314 OG1 THR A 78 8.284 -0.571 -5.680 1.00 0.00 O ATOM 1315 CG2 THR A 78 8.762 -2.880 -5.509 1.00 0.00 C ATOM 0 H THR A 78 10.147 0.623 -5.398 1.00 0.00 H new ATOM 0 HA THR A 78 11.110 -2.103 -5.974 1.00 0.00 H new ATOM 0 HB THR A 78 8.769 -1.753 -7.315 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.338 -0.826 -5.674 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.691 -3.083 -5.528 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.297 -3.709 -5.972 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.092 -2.768 -4.476 1.00 0.00 H new ATOM 1323 N PRO A 79 10.260 -0.035 -8.439 1.00 0.00 N ATOM 1324 CA PRO A 79 10.612 0.347 -9.810 1.00 0.00 C ATOM 1325 C PRO A 79 11.925 1.117 -9.874 1.00 0.00 C ATOM 1326 O PRO A 79 12.083 2.152 -9.228 1.00 0.00 O ATOM 1327 CB PRO A 79 9.444 1.232 -10.259 1.00 0.00 C ATOM 1328 CG PRO A 79 8.810 1.712 -8.998 1.00 0.00 C ATOM 1329 CD PRO A 79 9.039 0.634 -7.972 1.00 0.00 C ATOM 0 HA PRO A 79 10.761 -0.525 -10.447 1.00 0.00 H new ATOM 0 HB2 PRO A 79 9.793 2.067 -10.867 1.00 0.00 H new ATOM 0 HB3 PRO A 79 8.735 0.670 -10.867 1.00 0.00 H new ATOM 0 HG2 PRO A 79 9.251 2.655 -8.676 1.00 0.00 H new ATOM 0 HG3 PRO A 79 7.745 1.891 -9.142 1.00 0.00 H new ATOM 0 HD2 PRO A 79 9.168 1.052 -6.974 1.00 0.00 H new ATOM 0 HD3 PRO A 79 8.198 -0.057 -7.922 1.00 0.00 H new ATOM 1337 N ARG A 80 12.867 0.599 -10.658 1.00 0.00 N ATOM 1338 CA ARG A 80 14.174 1.233 -10.808 1.00 0.00 C ATOM 1339 C ARG A 80 14.032 2.668 -11.304 1.00 0.00 C ATOM 1340 O ARG A 80 12.921 3.174 -11.465 1.00 0.00 O ATOM 1341 CB ARG A 80 15.043 0.429 -11.777 1.00 0.00 C ATOM 1342 CG ARG A 80 15.801 -0.709 -11.111 1.00 0.00 C ATOM 1343 CD ARG A 80 14.873 -1.850 -10.727 1.00 0.00 C ATOM 1344 NE ARG A 80 15.502 -2.776 -9.791 1.00 0.00 N ATOM 1345 CZ ARG A 80 16.369 -3.721 -10.150 1.00 0.00 C ATOM 1346 NH1 ARG A 80 16.713 -3.864 -11.424 1.00 0.00 N ATOM 1347 NH2 ARG A 80 16.894 -4.523 -9.235 1.00 0.00 N ATOM 0 H ARG A 80 12.750 -0.258 -11.199 1.00 0.00 H new ATOM 0 HA ARG A 80 14.654 1.254 -9.830 1.00 0.00 H new ATOM 0 HB2 ARG A 80 14.411 0.021 -12.566 1.00 0.00 H new ATOM 0 HB3 ARG A 80 15.757 1.100 -12.255 1.00 0.00 H new ATOM 0 HG2 ARG A 80 16.572 -1.078 -11.787 1.00 0.00 H new ATOM 0 HG3 ARG A 80 16.309 -0.337 -10.221 1.00 0.00 H new ATOM 0 HD2 ARG A 80 13.965 -1.444 -10.280 1.00 0.00 H new ATOM 0 HD3 ARG A 80 14.572 -2.390 -11.625 1.00 0.00 H new ATOM 0 HE ARG A 80 15.263 -2.695 -8.803 1.00 0.00 H new ATOM 0 HH11 ARG A 80 16.313 -3.249 -12.132 1.00 0.00 H new ATOM 0 HH12 ARG A 80 17.377 -4.589 -11.695 1.00 0.00 H new ATOM 0 HH21 ARG A 80 16.634 -4.417 -8.254 1.00 0.00 H new ATOM 0 HH22 ARG A 80 17.558 -5.246 -9.511 1.00 0.00 H new TER 1361 ARG A 80 ATOM 1362 N ASP B 100 -5.436 12.311 1.544 1.00 0.00 N ATOM 1363 CA ASP B 100 -4.813 11.158 0.900 1.00 0.00 C ATOM 1364 C ASP B 100 -3.801 10.495 1.828 1.00 0.00 C ATOM 1365 O ASP B 100 -2.805 9.929 1.375 1.00 0.00 O ATOM 1366 CB ASP B 100 -4.131 11.582 -0.402 1.00 0.00 C ATOM 1367 CG ASP B 100 -4.295 10.552 -1.502 1.00 0.00 C ATOM 1368 OD1 ASP B 100 -4.504 9.365 -1.178 1.00 0.00 O ATOM 1369 OD2 ASP B 100 -4.213 10.932 -2.690 1.00 0.00 O ATOM 0 HA ASP B 100 -5.595 10.434 0.673 1.00 0.00 H new ATOM 0 HB2 ASP B 100 -4.547 12.533 -0.734 1.00 0.00 H new ATOM 0 HB3 ASP B 100 -3.069 11.746 -0.216 1.00 0.00 H new ATOM 1374 N ASP B 101 -4.062 10.570 3.129 1.00 0.00 N ATOM 1375 CA ASP B 101 -3.178 9.976 4.123 1.00 0.00 C ATOM 1376 C ASP B 101 -3.314 8.455 4.124 1.00 0.00 C ATOM 1377 O ASP B 101 -3.769 7.866 3.143 1.00 0.00 O ATOM 1378 CB ASP B 101 -3.492 10.540 5.512 1.00 0.00 C ATOM 1379 CG ASP B 101 -3.667 12.046 5.502 1.00 0.00 C ATOM 1380 OD1 ASP B 101 -3.045 12.709 4.645 1.00 0.00 O ATOM 1381 OD2 ASP B 101 -4.424 12.563 6.349 1.00 0.00 O ATOM 0 H ASP B 101 -4.880 11.037 3.519 1.00 0.00 H new ATOM 0 HA ASP B 101 -2.149 10.227 3.866 1.00 0.00 H new ATOM 0 HB2 ASP B 101 -4.401 10.074 5.892 1.00 0.00 H new ATOM 0 HB3 ASP B 101 -2.687 10.276 6.198 1.00 0.00 H new ATOM 1386 N ASP B 102 -2.919 7.819 5.226 1.00 0.00 N ATOM 1387 CA ASP B 102 -3.004 6.368 5.340 1.00 0.00 C ATOM 1388 C ASP B 102 -4.348 5.934 5.926 1.00 0.00 C ATOM 1389 O ASP B 102 -4.483 4.819 6.432 1.00 0.00 O ATOM 1390 CB ASP B 102 -1.864 5.837 6.212 1.00 0.00 C ATOM 1391 CG ASP B 102 -1.906 6.396 7.622 1.00 0.00 C ATOM 1392 OD1 ASP B 102 -2.012 7.632 7.767 1.00 0.00 O ATOM 1393 OD2 ASP B 102 -1.832 5.597 8.579 1.00 0.00 O ATOM 0 H ASP B 102 -2.538 8.286 6.049 1.00 0.00 H new ATOM 0 HA ASP B 102 -2.917 5.950 4.337 1.00 0.00 H new ATOM 0 HB2 ASP B 102 -1.918 4.749 6.254 1.00 0.00 H new ATOM 0 HB3 ASP B 102 -0.909 6.091 5.752 1.00 0.00 H new ATOM 1398 N ARG B 103 -5.341 6.817 5.853 1.00 0.00 N ATOM 1399 CA ARG B 103 -6.670 6.517 6.375 1.00 0.00 C ATOM 1400 C ARG B 103 -7.297 5.352 5.618 1.00 0.00 C ATOM 1401 O ARG B 103 -8.008 4.531 6.200 1.00 0.00 O ATOM 1402 CB ARG B 103 -7.568 7.750 6.273 1.00 0.00 C ATOM 1403 CG ARG B 103 -8.907 7.587 6.977 1.00 0.00 C ATOM 1404 CD ARG B 103 -9.862 8.714 6.622 1.00 0.00 C ATOM 1405 NE ARG B 103 -9.232 10.027 6.745 1.00 0.00 N ATOM 1406 CZ ARG B 103 -9.720 11.139 6.201 1.00 0.00 C ATOM 1407 NH1 ARG B 103 -10.843 11.102 5.496 1.00 0.00 N ATOM 1408 NH2 ARG B 103 -9.083 12.290 6.362 1.00 0.00 N ATOM 0 H ARG B 103 -5.250 7.744 5.438 1.00 0.00 H new ATOM 0 HA ARG B 103 -6.570 6.235 7.423 1.00 0.00 H new ATOM 0 HB2 ARG B 103 -7.045 8.606 6.698 1.00 0.00 H new ATOM 0 HB3 ARG B 103 -7.745 7.975 5.221 1.00 0.00 H new ATOM 0 HG2 ARG B 103 -9.351 6.631 6.700 1.00 0.00 H new ATOM 0 HG3 ARG B 103 -8.752 7.566 8.056 1.00 0.00 H new ATOM 0 HD2 ARG B 103 -10.219 8.578 5.601 1.00 0.00 H new ATOM 0 HD3 ARG B 103 -10.734 8.668 7.274 1.00 0.00 H new ATOM 0 HE ARG B 103 -8.366 10.095 7.280 1.00 0.00 H new ATOM 0 HH11 ARG B 103 -11.337 10.218 5.369 1.00 0.00 H new ATOM 0 HH12 ARG B 103 -11.213 11.957 5.081 1.00 0.00 H new ATOM 0 HH21 ARG B 103 -8.219 12.323 6.903 1.00 0.00 H new ATOM 0 HH22 ARG B 103 -9.457 13.142 5.945 1.00 0.00 H new ATOM 1422 N TYR B 104 -7.030 5.287 4.318 1.00 0.00 N ATOM 1423 CA TYR B 104 -7.567 4.222 3.480 1.00 0.00 C ATOM 1424 C TYR B 104 -7.098 2.856 3.968 1.00 0.00 C ATOM 1425 O TYR B 104 -7.841 1.876 3.909 1.00 0.00 O ATOM 1426 CB TYR B 104 -7.146 4.430 2.025 1.00 0.00 C ATOM 1427 CG TYR B 104 -7.753 5.661 1.389 1.00 0.00 C ATOM 1428 CD1 TYR B 104 -9.090 5.981 1.589 1.00 0.00 C ATOM 1429 CD2 TYR B 104 -6.989 6.502 0.590 1.00 0.00 C ATOM 1430 CE1 TYR B 104 -9.648 7.104 1.010 1.00 0.00 C ATOM 1431 CE2 TYR B 104 -7.541 7.628 0.006 1.00 0.00 C ATOM 1432 CZ TYR B 104 -8.870 7.925 0.220 1.00 0.00 C ATOM 1433 OH TYR B 104 -9.423 9.045 -0.357 1.00 0.00 O ATOM 0 H TYR B 104 -6.445 5.959 3.822 1.00 0.00 H new ATOM 0 HA TYR B 104 -8.655 4.256 3.545 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -6.060 4.505 1.977 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -7.431 3.553 1.444 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -9.703 5.342 2.207 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -5.947 6.273 0.422 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -10.689 7.338 1.175 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -6.934 8.271 -0.614 1.00 0.00 H new ATOM 0 HH TYR B 104 -8.740 9.514 -0.881 1.00 0.00 H new ATOM 1443 N LEU B 105 -5.861 2.798 4.450 1.00 0.00 N ATOM 1444 CA LEU B 105 -5.295 1.551 4.951 1.00 0.00 C ATOM 1445 C LEU B 105 -6.121 1.012 6.115 1.00 0.00 C ATOM 1446 O LEU B 105 -6.539 -0.146 6.110 1.00 0.00 O ATOM 1447 CB LEU B 105 -3.844 1.765 5.390 1.00 0.00 C ATOM 1448 CG LEU B 105 -2.791 1.433 4.330 1.00 0.00 C ATOM 1449 CD1 LEU B 105 -2.838 -0.045 3.975 1.00 0.00 C ATOM 1450 CD2 LEU B 105 -2.998 2.290 3.090 1.00 0.00 C ATOM 0 H LEU B 105 -5.232 3.599 4.504 1.00 0.00 H new ATOM 0 HA LEU B 105 -5.316 0.818 4.144 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -3.721 2.806 5.689 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -3.654 1.155 6.273 1.00 0.00 H new ATOM 0 HG LEU B 105 -1.806 1.654 4.740 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -2.082 -0.262 3.220 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -2.641 -0.640 4.867 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -3.824 -0.294 3.583 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -2.241 2.042 2.346 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -3.989 2.100 2.677 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -2.912 3.343 3.357 1.00 0.00 H new ATOM 1462 N ARG B 106 -6.355 1.862 7.109 1.00 0.00 N ATOM 1463 CA ARG B 106 -7.133 1.475 8.279 1.00 0.00 C ATOM 1464 C ARG B 106 -8.558 1.105 7.881 1.00 0.00 C ATOM 1465 O ARG B 106 -9.183 0.247 8.502 1.00 0.00 O ATOM 1466 CB ARG B 106 -7.156 2.613 9.302 1.00 0.00 C ATOM 1467 CG ARG B 106 -5.774 3.146 9.647 1.00 0.00 C ATOM 1468 CD ARG B 106 -5.796 4.650 9.866 1.00 0.00 C ATOM 1469 NE ARG B 106 -5.922 4.997 11.280 1.00 0.00 N ATOM 1470 CZ ARG B 106 -4.910 4.966 12.143 1.00 0.00 C ATOM 1471 NH1 ARG B 106 -3.697 4.609 11.743 1.00 0.00 N ATOM 1472 NH2 ARG B 106 -5.111 5.296 13.412 1.00 0.00 N ATOM 0 H ARG B 106 -6.017 2.824 7.127 1.00 0.00 H new ATOM 0 HA ARG B 106 -6.660 0.602 8.729 1.00 0.00 H new ATOM 0 HB2 ARG B 106 -7.765 3.429 8.912 1.00 0.00 H new ATOM 0 HB3 ARG B 106 -7.639 2.262 10.214 1.00 0.00 H new ATOM 0 HG2 ARG B 106 -5.406 2.652 10.546 1.00 0.00 H new ATOM 0 HG3 ARG B 106 -5.079 2.904 8.843 1.00 0.00 H new ATOM 0 HD2 ARG B 106 -4.882 5.088 9.466 1.00 0.00 H new ATOM 0 HD3 ARG B 106 -6.627 5.085 9.311 1.00 0.00 H new ATOM 0 HE ARG B 106 -6.839 5.279 11.625 1.00 0.00 H new ATOM 0 HH11 ARG B 106 -3.535 4.356 10.768 1.00 0.00 H new ATOM 0 HH12 ARG B 106 -2.926 4.588 12.410 1.00 0.00 H new ATOM 0 HH21 ARG B 106 -6.041 5.573 13.726 1.00 0.00 H new ATOM 0 HH22 ARG B 106 -4.335 5.272 14.074 1.00 0.00 H new ATOM 1486 N GLU B 107 -9.066 1.761 6.842 1.00 0.00 N ATOM 1487 CA GLU B 107 -10.418 1.502 6.359 1.00 0.00 C ATOM 1488 C GLU B 107 -10.577 0.041 5.948 1.00 0.00 C ATOM 1489 O GLU B 107 -11.431 -0.673 6.472 1.00 0.00 O ATOM 1490 CB GLU B 107 -10.744 2.414 5.177 1.00 0.00 C ATOM 1491 CG GLU B 107 -12.224 2.742 5.050 1.00 0.00 C ATOM 1492 CD GLU B 107 -13.093 1.501 5.005 1.00 0.00 C ATOM 1493 OE1 GLU B 107 -12.975 0.728 4.030 1.00 0.00 O ATOM 1494 OE2 GLU B 107 -13.893 1.302 5.943 1.00 0.00 O ATOM 0 H GLU B 107 -8.561 2.476 6.318 1.00 0.00 H new ATOM 0 HA GLU B 107 -11.114 1.711 7.172 1.00 0.00 H new ATOM 0 HB2 GLU B 107 -10.182 3.342 5.280 1.00 0.00 H new ATOM 0 HB3 GLU B 107 -10.406 1.937 4.257 1.00 0.00 H new ATOM 0 HG2 GLU B 107 -12.528 3.364 5.892 1.00 0.00 H new ATOM 0 HG3 GLU B 107 -12.386 3.328 4.145 1.00 0.00 H new ATOM 1501 N ALA B 108 -9.745 -0.398 5.009 1.00 0.00 N ATOM 1502 CA ALA B 108 -9.792 -1.774 4.530 1.00 0.00 C ATOM 1503 C ALA B 108 -9.272 -2.739 5.590 1.00 0.00 C ATOM 1504 O ALA B 108 -9.787 -3.847 5.743 1.00 0.00 O ATOM 1505 CB ALA B 108 -8.988 -1.914 3.246 1.00 0.00 C ATOM 0 H ALA B 108 -9.031 0.179 4.565 1.00 0.00 H new ATOM 0 HA ALA B 108 -10.832 -2.027 4.323 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -9.032 -2.947 2.900 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -9.405 -1.257 2.482 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -7.950 -1.638 3.435 1.00 0.00 H new ATOM 1511 N ILE B 109 -8.249 -2.309 6.322 1.00 0.00 N ATOM 1512 CA ILE B 109 -7.658 -3.130 7.371 1.00 0.00 C ATOM 1513 C ILE B 109 -8.692 -3.470 8.443 1.00 0.00 C ATOM 1514 O ILE B 109 -8.929 -4.642 8.744 1.00 0.00 O ATOM 1515 CB ILE B 109 -6.446 -2.416 8.017 1.00 0.00 C ATOM 1516 CG1 ILE B 109 -5.250 -2.442 7.065 1.00 0.00 C ATOM 1517 CG2 ILE B 109 -6.075 -3.054 9.350 1.00 0.00 C ATOM 1518 CD1 ILE B 109 -4.125 -1.519 7.479 1.00 0.00 C ATOM 0 H ILE B 109 -7.812 -1.395 6.207 1.00 0.00 H new ATOM 0 HA ILE B 109 -7.313 -4.056 6.910 1.00 0.00 H new ATOM 0 HB ILE B 109 -6.726 -1.380 8.208 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -4.868 -3.461 7.003 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -5.586 -2.166 6.066 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -5.220 -2.530 9.779 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -6.922 -2.987 10.033 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -5.817 -4.101 9.193 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -3.311 -1.590 6.757 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -4.490 -0.493 7.513 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -3.761 -1.808 8.465 1.00 0.00 H new ATOM 1530 N GLN B 110 -9.311 -2.440 9.012 1.00 0.00 N ATOM 1531 CA GLN B 110 -10.318 -2.639 10.047 1.00 0.00 C ATOM 1532 C GLN B 110 -11.540 -3.344 9.481 1.00 0.00 C ATOM 1533 O GLN B 110 -12.127 -4.208 10.131 1.00 0.00 O ATOM 1534 CB GLN B 110 -10.724 -1.300 10.667 1.00 0.00 C ATOM 1535 CG GLN B 110 -9.792 -0.836 11.775 1.00 0.00 C ATOM 1536 CD GLN B 110 -10.515 -0.060 12.857 1.00 0.00 C ATOM 1537 OE1 GLN B 110 -10.826 -0.598 13.919 1.00 0.00 O ATOM 1538 NE2 GLN B 110 -10.789 1.212 12.592 1.00 0.00 N ATOM 0 H GLN B 110 -9.134 -1.464 8.775 1.00 0.00 H new ATOM 0 HA GLN B 110 -9.884 -3.268 10.824 1.00 0.00 H new ATOM 0 HB2 GLN B 110 -10.752 -0.541 9.885 1.00 0.00 H new ATOM 0 HB3 GLN B 110 -11.735 -1.385 11.066 1.00 0.00 H new ATOM 0 HG2 GLN B 110 -9.303 -1.702 12.220 1.00 0.00 H new ATOM 0 HG3 GLN B 110 -9.008 -0.211 11.347 1.00 0.00 H new ATOM 0 HE21 GLN B 110 -10.513 1.618 11.698 1.00 0.00 H new ATOM 0 HE22 GLN B 110 -11.276 1.783 13.283 1.00 0.00 H new ATOM 1547 N GLU B 111 -11.915 -2.983 8.258 1.00 0.00 N ATOM 1548 CA GLU B 111 -13.062 -3.602 7.607 1.00 0.00 C ATOM 1549 C GLU B 111 -12.899 -5.113 7.602 1.00 0.00 C ATOM 1550 O GLU B 111 -13.852 -5.855 7.840 1.00 0.00 O ATOM 1551 CB GLU B 111 -13.217 -3.081 6.177 1.00 0.00 C ATOM 1552 CG GLU B 111 -14.499 -3.536 5.500 1.00 0.00 C ATOM 1553 CD GLU B 111 -15.723 -2.811 6.023 1.00 0.00 C ATOM 1554 OE1 GLU B 111 -16.135 -3.090 7.168 1.00 0.00 O ATOM 1555 OE2 GLU B 111 -16.272 -1.964 5.285 1.00 0.00 O ATOM 0 H GLU B 111 -11.444 -2.270 7.701 1.00 0.00 H new ATOM 0 HA GLU B 111 -13.962 -3.342 8.164 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -13.190 -1.991 6.191 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -12.365 -3.413 5.584 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -14.416 -3.373 4.426 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -14.624 -4.608 5.651 1.00 0.00 H new ATOM 1562 N TYR B 112 -11.673 -5.559 7.356 1.00 0.00 N ATOM 1563 CA TYR B 112 -11.371 -6.980 7.350 1.00 0.00 C ATOM 1564 C TYR B 112 -11.403 -7.514 8.772 1.00 0.00 C ATOM 1565 O TYR B 112 -11.807 -8.652 9.012 1.00 0.00 O ATOM 1566 CB TYR B 112 -10.003 -7.241 6.715 1.00 0.00 C ATOM 1567 CG TYR B 112 -9.885 -8.606 6.075 1.00 0.00 C ATOM 1568 CD1 TYR B 112 -10.811 -9.035 5.131 1.00 0.00 C ATOM 1569 CD2 TYR B 112 -8.847 -9.465 6.414 1.00 0.00 C ATOM 1570 CE1 TYR B 112 -10.706 -10.281 4.545 1.00 0.00 C ATOM 1571 CE2 TYR B 112 -8.735 -10.713 5.830 1.00 0.00 C ATOM 1572 CZ TYR B 112 -9.667 -11.117 4.897 1.00 0.00 C ATOM 1573 OH TYR B 112 -9.559 -12.359 4.315 1.00 0.00 O ATOM 0 H TYR B 112 -10.875 -4.956 7.159 1.00 0.00 H new ATOM 0 HA TYR B 112 -12.124 -7.497 6.755 1.00 0.00 H new ATOM 0 HB2 TYR B 112 -9.809 -6.477 5.962 1.00 0.00 H new ATOM 0 HB3 TYR B 112 -9.232 -7.139 7.478 1.00 0.00 H new ATOM 0 HD1 TYR B 112 -11.626 -8.383 4.851 1.00 0.00 H new ATOM 0 HD2 TYR B 112 -8.116 -9.153 7.145 1.00 0.00 H new ATOM 0 HE1 TYR B 112 -11.434 -10.600 3.814 1.00 0.00 H new ATOM 0 HE2 TYR B 112 -7.921 -11.369 6.103 1.00 0.00 H new ATOM 0 HH TYR B 112 -8.772 -12.820 4.672 1.00 0.00 H new ATOM 1583 N ASP B 113 -10.992 -6.676 9.723 1.00 0.00 N ATOM 1584 CA ASP B 113 -10.999 -7.063 11.125 1.00 0.00 C ATOM 1585 C ASP B 113 -12.414 -7.431 11.551 1.00 0.00 C ATOM 1586 O ASP B 113 -12.616 -8.304 12.396 1.00 0.00 O ATOM 1587 CB ASP B 113 -10.466 -5.924 11.999 1.00 0.00 C ATOM 1588 CG ASP B 113 -10.200 -6.367 13.424 1.00 0.00 C ATOM 1589 OD1 ASP B 113 -11.176 -6.566 14.176 1.00 0.00 O ATOM 1590 OD2 ASP B 113 -9.013 -6.511 13.789 1.00 0.00 O ATOM 0 H ASP B 113 -10.653 -5.731 9.545 1.00 0.00 H new ATOM 0 HA ASP B 113 -10.349 -7.929 11.253 1.00 0.00 H new ATOM 0 HB2 ASP B 113 -9.545 -5.536 11.564 1.00 0.00 H new ATOM 0 HB3 ASP B 113 -11.186 -5.106 12.004 1.00 0.00 H new ATOM 1595 N ASN B 114 -13.395 -6.764 10.947 1.00 0.00 N ATOM 1596 CA ASN B 114 -14.796 -7.022 11.246 1.00 0.00 C ATOM 1597 C ASN B 114 -15.298 -8.234 10.468 1.00 0.00 C ATOM 1598 O ASN B 114 -16.132 -8.996 10.957 1.00 0.00 O ATOM 1599 CB ASN B 114 -15.646 -5.796 10.914 1.00 0.00 C ATOM 1600 CG ASN B 114 -15.484 -4.684 11.930 1.00 0.00 C ATOM 1601 OD1 ASN B 114 -15.219 -4.937 13.106 1.00 0.00 O ATOM 1602 ND2 ASN B 114 -15.643 -3.444 11.483 1.00 0.00 N ATOM 0 H ASN B 114 -13.242 -6.039 10.246 1.00 0.00 H new ATOM 0 HA ASN B 114 -14.884 -7.233 12.312 1.00 0.00 H new ATOM 0 HB2 ASN B 114 -15.371 -5.424 9.927 1.00 0.00 H new ATOM 0 HB3 ASN B 114 -16.695 -6.088 10.864 1.00 0.00 H new ATOM 0 HD21 ASN B 114 -15.546 -2.655 12.122 1.00 0.00 H new ATOM 0 HD22 ASN B 114 -15.862 -3.280 10.500 1.00 0.00 H new ATOM 1609 N ILE B 115 -14.784 -8.406 9.252 1.00 0.00 N ATOM 1610 CA ILE B 115 -15.180 -9.526 8.408 1.00 0.00 C ATOM 1611 C ILE B 115 -14.657 -10.846 8.969 1.00 0.00 C ATOM 1612 O ILE B 115 -15.304 -11.885 8.841 1.00 0.00 O ATOM 1613 CB ILE B 115 -14.669 -9.348 6.963 1.00 0.00 C ATOM 1614 CG1 ILE B 115 -15.216 -8.052 6.362 1.00 0.00 C ATOM 1615 CG2 ILE B 115 -15.059 -10.541 6.105 1.00 0.00 C ATOM 1616 CD1 ILE B 115 -14.308 -7.440 5.317 1.00 0.00 C ATOM 0 H ILE B 115 -14.094 -7.784 8.832 1.00 0.00 H new ATOM 0 HA ILE B 115 -16.270 -9.548 8.396 1.00 0.00 H new ATOM 0 HB ILE B 115 -13.581 -9.287 6.987 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -16.190 -8.251 5.914 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -15.375 -7.329 7.162 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -14.689 -10.396 5.090 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -14.623 -11.448 6.524 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -16.145 -10.636 6.085 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -14.759 -6.524 4.934 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -13.342 -7.209 5.765 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -14.169 -8.146 4.498 1.00 0.00 H new ATOM 1628 N ALA B 116 -13.482 -10.796 9.586 1.00 0.00 N ATOM 1629 CA ALA B 116 -12.872 -11.986 10.165 1.00 0.00 C ATOM 1630 C ALA B 116 -13.350 -12.211 11.597 1.00 0.00 C ATOM 1631 O ALA B 116 -12.544 -12.350 12.517 1.00 0.00 O ATOM 1632 CB ALA B 116 -11.355 -11.872 10.122 1.00 0.00 C ATOM 0 H ALA B 116 -12.933 -9.944 9.698 1.00 0.00 H new ATOM 0 HA ALA B 116 -13.179 -12.847 9.572 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -10.910 -12.767 10.557 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -11.027 -11.770 9.088 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -11.040 -10.997 10.690 1.00 0.00 H new ATOM 1638 N LYS B 117 -14.666 -12.249 11.778 1.00 0.00 N ATOM 1639 CA LYS B 117 -15.252 -12.460 13.095 1.00 0.00 C ATOM 1640 C LYS B 117 -16.589 -13.188 12.988 1.00 0.00 C ATOM 1641 O LYS B 117 -16.853 -14.066 13.835 1.00 0.00 O ATOM 1642 CB LYS B 117 -15.444 -11.122 13.810 1.00 0.00 C ATOM 1643 CG LYS B 117 -14.139 -10.466 14.233 1.00 0.00 C ATOM 1644 CD LYS B 117 -13.519 -11.181 15.424 1.00 0.00 C ATOM 1645 CE LYS B 117 -12.000 -11.139 15.367 1.00 0.00 C ATOM 1646 NZ LYS B 117 -11.382 -11.868 16.508 1.00 0.00 N ATOM 1647 OXT LYS B 117 -17.360 -12.873 12.057 1.00 0.00 O ATOM 0 H LYS B 117 -15.347 -12.136 11.027 1.00 0.00 H new ATOM 0 HA LYS B 117 -14.567 -13.080 13.674 1.00 0.00 H new ATOM 0 HB2 LYS B 117 -15.986 -10.443 13.152 1.00 0.00 H new ATOM 0 HB3 LYS B 117 -16.066 -11.276 14.692 1.00 0.00 H new ATOM 0 HG2 LYS B 117 -13.439 -10.473 13.398 1.00 0.00 H new ATOM 0 HG3 LYS B 117 -14.321 -9.422 14.488 1.00 0.00 H new ATOM 0 HD2 LYS B 117 -13.863 -10.717 16.348 1.00 0.00 H new ATOM 0 HD3 LYS B 117 -13.855 -12.218 15.443 1.00 0.00 H new ATOM 0 HE2 LYS B 117 -11.660 -11.577 14.429 1.00 0.00 H new ATOM 0 HE3 LYS B 117 -11.665 -10.102 15.374 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 -10.346 -11.816 16.433 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 -11.686 -11.434 17.403 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 -11.681 -12.864 16.487 1.00 0.00 H new TER 1661 LYS B 117