USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 862 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 118 GLN : amide:sc= 0.279 K(o=0.49,f=-0.1) USER MOD Set 1.2: A 119 HIS : no HE2:sc= 0.21 K(o=0.49,f=-0.2) USER MOD Set 2.1: A 44 GLN :FLIP amide:sc= -2.22 F(o=-4.6!,f=-3) USER MOD Set 2.2: A 47 MET CE :methyl 151:sc= -0.802 (180deg=-2.22!) USER MOD Set 3.1: A 39 ASN : amide:sc= -0.521! C(o=-1.3!,f=-4.9!) USER MOD Set 3.2: A 42 GLN :FLIP amide:sc= -0.744 F(o=-1.9,f=-1.3) USER MOD Single : A 4 ASN : amide:sc= -1.48 K(o=-1.5,f=-2.9!) USER MOD Single : A 5 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.118) USER MOD Single : A 7 CYS SG : rot 23:sc= 0.128 USER MOD Single : A 10 THR OG1 : rot -18:sc= 0.145 USER MOD Single : A 13 GLN : amide:sc= -3.21! C(o=-3.2!,f=-9.5!) USER MOD Single : A 16 LYS NZ :NH3+ -109:sc= -0.358 (180deg=-1.88) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.171 USER MOD Single : A 33 THR OG1 : rot 6:sc= 0.886 USER MOD Single : A 34 SER OG : rot 27:sc= -4.15! USER MOD Single : A 37 CYS SG : rot -0:sc= -1.13 USER MOD Single : A 53 GLN : amide:sc= -1.48! C(o=-1.5!,f=-1.3!) USER MOD Single : A 54 TYR OH : rot 36:sc= -0.239 USER MOD Single : A 60 ASN :FLIP amide:sc= -1.78 F(o=-3,f=-1.8) USER MOD Single : A 61 HIS : no HE2:sc= 0.772 K(o=0.77,f=-5.2!) USER MOD Single : A 69 LYS NZ :NH3+ -151:sc= 2.32 (180deg=1.04) USER MOD Single : A 71 LYS NZ :NH3+ -107:sc= -0.607 (180deg=-2.67!) USER MOD Single : A 74 SER OG : rot 21:sc= 0.973 USER MOD Single : A 79 GLN : amide:sc= -5.62! C(o=-5.6!,f=-8.2!) USER MOD Single : A 81 HIS : no HE2:sc= 0.621 K(o=0.62,f=-3.8!) USER MOD Single : A 83 ASN : amide:sc= 1.2 K(o=1.2,f=-0.084) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 70:sc= 0.364 USER MOD Single : A 91 THR OG1 : rot 67:sc= 0.303 USER MOD Single : A 99 HIS :FLIP no HD1:sc= -0.576 F(o=-1.3,f=-0.58) USER MOD Single : A 104 LYS NZ :NH3+ 164:sc= 0.00786 (180deg=-0.769) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N ASN A 4 -8.697 9.405 -7.578 1.00 0.00 N ATOM 43 CA ASN A 4 -9.748 9.601 -6.608 1.00 0.00 C ATOM 44 C ASN A 4 -9.442 8.670 -5.468 1.00 0.00 C ATOM 45 O ASN A 4 -10.300 7.990 -4.960 1.00 0.00 O ATOM 46 CB ASN A 4 -11.111 9.244 -7.235 1.00 0.00 C ATOM 47 CG ASN A 4 -12.264 9.978 -6.575 1.00 0.00 C ATOM 48 OD1 ASN A 4 -12.847 9.524 -5.606 1.00 0.00 O ATOM 49 ND2 ASN A 4 -12.615 11.107 -7.125 1.00 0.00 N ATOM 0 HA ASN A 4 -9.798 10.637 -6.272 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -11.092 9.484 -8.298 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -11.274 8.169 -7.154 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -13.399 11.638 -6.745 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -12.106 11.459 -7.936 1.00 0.00 H new ATOM 56 N LYS A 5 -8.161 8.641 -5.110 1.00 0.00 N ATOM 57 CA LYS A 5 -7.617 7.779 -4.042 1.00 0.00 C ATOM 58 C LYS A 5 -8.454 7.792 -2.743 1.00 0.00 C ATOM 59 O LYS A 5 -8.312 8.672 -1.897 1.00 0.00 O ATOM 60 CB LYS A 5 -6.145 8.134 -3.737 1.00 0.00 C ATOM 61 CG LYS A 5 -5.892 9.615 -3.413 1.00 0.00 C ATOM 62 CD LYS A 5 -4.448 9.885 -2.982 1.00 0.00 C ATOM 63 CE LYS A 5 -4.091 9.204 -1.653 1.00 0.00 C ATOM 64 NZ LYS A 5 -4.924 9.688 -0.523 1.00 0.00 N ATOM 0 H LYS A 5 -7.452 9.223 -5.556 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.670 6.762 -4.431 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.807 7.530 -2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.534 7.855 -4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.125 10.220 -4.289 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.569 9.930 -2.619 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.769 9.534 -3.759 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.296 10.960 -2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.216 8.126 -1.756 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.040 9.383 -1.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.546 9.315 0.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.907 10.728 -0.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.903 9.361 -0.648 1.00 0.00 H new ATOM 78 N VAL A 6 -9.320 6.818 -2.612 1.00 0.00 N ATOM 79 CA VAL A 6 -10.168 6.694 -1.453 1.00 0.00 C ATOM 80 C VAL A 6 -9.378 6.227 -0.227 1.00 0.00 C ATOM 81 O VAL A 6 -8.702 5.210 -0.254 1.00 0.00 O ATOM 82 CB VAL A 6 -11.404 5.765 -1.730 1.00 0.00 C ATOM 83 CG1 VAL A 6 -10.996 4.351 -2.138 1.00 0.00 C ATOM 84 CG2 VAL A 6 -12.361 5.736 -0.542 1.00 0.00 C ATOM 0 H VAL A 6 -9.457 6.086 -3.309 1.00 0.00 H new ATOM 0 HA VAL A 6 -10.557 7.688 -1.232 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.931 6.201 -2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -11.889 3.752 -2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.399 4.393 -3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.409 3.897 -1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -13.204 5.083 -0.770 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -11.838 5.360 0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -12.726 6.744 -0.344 1.00 0.00 H new ATOM 94 N CYS A 7 -9.422 7.032 0.787 1.00 0.00 N ATOM 95 CA CYS A 7 -8.838 6.756 2.072 1.00 0.00 C ATOM 96 C CYS A 7 -9.978 6.327 2.966 1.00 0.00 C ATOM 97 O CYS A 7 -11.129 6.631 2.611 1.00 0.00 O ATOM 98 CB CYS A 7 -8.176 8.021 2.592 1.00 0.00 C ATOM 99 SG CYS A 7 -9.240 9.478 2.586 1.00 0.00 S ATOM 0 H CYS A 7 -9.885 7.940 0.745 1.00 0.00 H new ATOM 0 HA CYS A 7 -8.076 5.978 2.029 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.831 7.843 3.610 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.293 8.229 1.988 1.00 0.00 H new ATOM 0 HG CYS A 7 -10.486 9.106 2.590 1.00 0.00 H new ATOM 105 N GLY A 8 -9.654 5.778 4.168 1.00 0.00 N ATOM 106 CA GLY A 8 -10.599 5.073 5.068 1.00 0.00 C ATOM 107 C GLY A 8 -12.032 5.026 4.618 1.00 0.00 C ATOM 108 O GLY A 8 -12.335 4.284 3.673 1.00 0.00 O ATOM 0 H GLY A 8 -8.706 5.816 4.544 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.248 4.050 5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.562 5.552 6.047 1.00 0.00 H new ATOM 112 N LEU A 9 -12.908 5.745 5.328 1.00 0.00 N ATOM 113 CA LEU A 9 -14.328 5.831 5.003 1.00 0.00 C ATOM 114 C LEU A 9 -15.080 4.563 5.449 1.00 0.00 C ATOM 115 O LEU A 9 -14.478 3.553 5.787 1.00 0.00 O ATOM 116 CB LEU A 9 -14.508 6.131 3.497 1.00 0.00 C ATOM 117 CG LEU A 9 -15.903 6.169 2.923 1.00 0.00 C ATOM 118 CD1 LEU A 9 -16.693 7.344 3.477 1.00 0.00 C ATOM 119 CD2 LEU A 9 -15.807 6.215 1.427 1.00 0.00 C ATOM 0 H LEU A 9 -12.645 6.287 6.151 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.771 6.658 5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.042 7.096 3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.943 5.382 2.942 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.445 5.269 3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -17.694 7.345 3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -16.765 7.255 4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -16.187 8.275 3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -16.809 6.243 0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -15.258 7.107 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -15.284 5.329 1.069 1.00 0.00 H new ATOM 131 N THR A 10 -16.390 4.645 5.488 1.00 0.00 N ATOM 132 CA THR A 10 -17.198 3.529 5.910 1.00 0.00 C ATOM 133 C THR A 10 -18.433 3.375 5.013 1.00 0.00 C ATOM 134 O THR A 10 -19.080 2.326 5.004 1.00 0.00 O ATOM 135 CB THR A 10 -17.608 3.674 7.421 1.00 0.00 C ATOM 136 OG1 THR A 10 -18.474 2.606 7.839 1.00 0.00 O ATOM 137 CG2 THR A 10 -18.293 5.007 7.679 1.00 0.00 C ATOM 0 H THR A 10 -16.919 5.478 5.231 1.00 0.00 H new ATOM 0 HA THR A 10 -16.601 2.623 5.811 1.00 0.00 H new ATOM 0 HB THR A 10 -16.687 3.626 8.003 1.00 0.00 H new ATOM 0 HG1 THR A 10 -18.864 2.174 7.051 1.00 0.00 H new ATOM 0 HG21 THR A 10 -18.565 5.079 8.732 1.00 0.00 H new ATOM 0 HG22 THR A 10 -17.614 5.820 7.423 1.00 0.00 H new ATOM 0 HG23 THR A 10 -19.192 5.079 7.067 1.00 0.00 H new ATOM 145 N ARG A 11 -18.739 4.399 4.223 1.00 0.00 N ATOM 146 CA ARG A 11 -19.923 4.368 3.414 1.00 0.00 C ATOM 147 C ARG A 11 -19.627 3.920 2.013 1.00 0.00 C ATOM 148 O ARG A 11 -18.943 4.611 1.268 1.00 0.00 O ATOM 149 CB ARG A 11 -20.653 5.699 3.432 1.00 0.00 C ATOM 150 CG ARG A 11 -21.094 6.093 4.828 1.00 0.00 C ATOM 151 CD ARG A 11 -22.074 5.101 5.470 1.00 0.00 C ATOM 152 NE ARG A 11 -23.324 4.936 4.716 1.00 0.00 N ATOM 153 CZ ARG A 11 -24.463 4.437 5.224 1.00 0.00 C ATOM 154 NH1 ARG A 11 -24.515 4.026 6.491 1.00 0.00 N ATOM 155 NH2 ARG A 11 -25.540 4.342 4.460 1.00 0.00 N ATOM 0 H ARG A 11 -18.180 5.248 4.135 1.00 0.00 H new ATOM 0 HA ARG A 11 -20.591 3.628 3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -20.002 6.474 3.027 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -21.525 5.642 2.780 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -20.214 6.184 5.465 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -21.562 7.077 4.787 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -21.586 4.131 5.564 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -22.310 5.438 6.479 1.00 0.00 H new ATOM 0 HE ARG A 11 -23.327 5.221 3.737 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -23.686 4.089 7.082 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -25.384 3.648 6.869 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -25.504 4.647 3.487 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -26.406 3.963 4.844 1.00 0.00 H new ATOM 169 N GLY A 12 -20.128 2.749 1.680 1.00 0.00 N ATOM 170 CA GLY A 12 -19.974 2.149 0.372 1.00 0.00 C ATOM 171 C GLY A 12 -20.339 3.075 -0.770 1.00 0.00 C ATOM 172 O GLY A 12 -19.626 3.150 -1.743 1.00 0.00 O ATOM 0 H GLY A 12 -20.667 2.174 2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -18.940 1.826 0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -20.596 1.256 0.316 1.00 0.00 H new ATOM 176 N GLN A 13 -21.425 3.822 -0.594 1.00 0.00 N ATOM 177 CA GLN A 13 -21.964 4.765 -1.596 1.00 0.00 C ATOM 178 C GLN A 13 -20.899 5.775 -1.939 1.00 0.00 C ATOM 179 O GLN A 13 -20.689 6.134 -3.091 1.00 0.00 O ATOM 180 CB GLN A 13 -23.162 5.597 -1.045 1.00 0.00 C ATOM 181 CG GLN A 13 -24.264 4.875 -0.257 1.00 0.00 C ATOM 182 CD GLN A 13 -23.801 4.423 1.109 1.00 0.00 C ATOM 183 OE1 GLN A 13 -23.863 5.171 2.070 1.00 0.00 O ATOM 184 NE2 GLN A 13 -23.376 3.200 1.212 1.00 0.00 N ATOM 0 H GLN A 13 -21.974 3.795 0.265 1.00 0.00 H new ATOM 0 HA GLN A 13 -22.285 4.166 -2.448 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -22.754 6.377 -0.402 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -23.634 6.096 -1.891 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -25.120 5.540 -0.145 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -24.605 4.010 -0.826 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -23.338 2.602 0.386 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -23.081 2.837 2.118 1.00 0.00 H new ATOM 193 N ASP A 14 -20.205 6.173 -0.906 1.00 0.00 N ATOM 194 CA ASP A 14 -19.222 7.227 -0.967 1.00 0.00 C ATOM 195 C ASP A 14 -17.924 6.675 -1.559 1.00 0.00 C ATOM 196 O ASP A 14 -17.188 7.368 -2.251 1.00 0.00 O ATOM 197 CB ASP A 14 -19.010 7.763 0.460 1.00 0.00 C ATOM 198 CG ASP A 14 -18.172 9.041 0.527 1.00 0.00 C ATOM 199 OD1 ASP A 14 -16.946 8.974 0.446 1.00 0.00 O ATOM 200 OD2 ASP A 14 -18.748 10.142 0.706 1.00 0.00 O ATOM 0 H ASP A 14 -20.308 5.765 0.023 1.00 0.00 H new ATOM 0 HA ASP A 14 -19.557 8.043 -1.607 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -19.983 7.954 0.913 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.526 6.991 1.059 1.00 0.00 H new ATOM 205 N ALA A 15 -17.691 5.397 -1.309 1.00 0.00 N ATOM 206 CA ALA A 15 -16.515 4.692 -1.802 1.00 0.00 C ATOM 207 C ALA A 15 -16.639 4.410 -3.292 1.00 0.00 C ATOM 208 O ALA A 15 -15.645 4.453 -4.030 1.00 0.00 O ATOM 209 CB ALA A 15 -16.328 3.383 -1.036 1.00 0.00 C ATOM 0 H ALA A 15 -18.317 4.813 -0.754 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.643 5.327 -1.643 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.446 2.864 -1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.198 3.598 0.025 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.206 2.752 -1.173 1.00 0.00 H new ATOM 215 N LYS A 16 -17.874 4.151 -3.741 1.00 0.00 N ATOM 216 CA LYS A 16 -18.142 3.833 -5.145 1.00 0.00 C ATOM 217 C LYS A 16 -17.741 4.976 -6.054 1.00 0.00 C ATOM 218 O LYS A 16 -17.423 4.755 -7.202 1.00 0.00 O ATOM 219 CB LYS A 16 -19.618 3.485 -5.407 1.00 0.00 C ATOM 220 CG LYS A 16 -20.184 2.359 -4.569 1.00 0.00 C ATOM 221 CD LYS A 16 -21.570 1.851 -5.046 1.00 0.00 C ATOM 222 CE LYS A 16 -22.664 2.934 -5.156 1.00 0.00 C ATOM 223 NZ LYS A 16 -22.530 3.807 -6.361 1.00 0.00 N ATOM 0 H LYS A 16 -18.704 4.156 -3.148 1.00 0.00 H new ATOM 0 HA LYS A 16 -17.539 2.953 -5.367 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -20.219 4.378 -5.236 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -19.729 3.222 -6.459 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -19.481 1.526 -4.576 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -20.268 2.696 -3.536 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -21.450 1.378 -6.021 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -21.913 1.079 -4.357 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -23.640 2.450 -5.176 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -22.636 3.557 -4.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -22.227 4.758 -6.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -21.822 3.402 -7.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -23.447 3.870 -6.848 1.00 0.00 H new ATOM 237 N ALA A 17 -17.718 6.181 -5.515 1.00 0.00 N ATOM 238 CA ALA A 17 -17.374 7.370 -6.272 1.00 0.00 C ATOM 239 C ALA A 17 -15.919 7.336 -6.738 1.00 0.00 C ATOM 240 O ALA A 17 -15.593 7.819 -7.823 1.00 0.00 O ATOM 241 CB ALA A 17 -17.639 8.604 -5.448 1.00 0.00 C ATOM 0 H ALA A 17 -17.938 6.363 -4.536 1.00 0.00 H new ATOM 0 HA ALA A 17 -18.003 7.397 -7.162 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -17.377 9.490 -6.026 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.695 8.643 -5.181 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.036 8.572 -4.540 1.00 0.00 H new ATOM 247 N ALA A 18 -15.058 6.727 -5.948 1.00 0.00 N ATOM 248 CA ALA A 18 -13.647 6.613 -6.294 1.00 0.00 C ATOM 249 C ALA A 18 -13.480 5.647 -7.462 1.00 0.00 C ATOM 250 O ALA A 18 -12.630 5.805 -8.338 1.00 0.00 O ATOM 251 CB ALA A 18 -12.873 6.140 -5.087 1.00 0.00 C ATOM 0 H ALA A 18 -15.308 6.300 -5.056 1.00 0.00 H new ATOM 0 HA ALA A 18 -13.259 7.586 -6.597 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -11.817 6.054 -5.343 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.992 6.857 -4.275 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.250 5.167 -4.771 1.00 0.00 H new ATOM 257 N TYR A 19 -14.326 4.668 -7.468 1.00 0.00 N ATOM 258 CA TYR A 19 -14.387 3.678 -8.517 1.00 0.00 C ATOM 259 C TYR A 19 -15.121 4.243 -9.727 1.00 0.00 C ATOM 260 O TYR A 19 -14.819 3.903 -10.867 1.00 0.00 O ATOM 261 CB TYR A 19 -15.030 2.393 -7.964 1.00 0.00 C ATOM 262 CG TYR A 19 -15.944 1.641 -8.901 1.00 0.00 C ATOM 263 CD1 TYR A 19 -15.434 0.755 -9.826 1.00 0.00 C ATOM 264 CD2 TYR A 19 -17.320 1.825 -8.858 1.00 0.00 C ATOM 265 CE1 TYR A 19 -16.265 0.069 -10.686 1.00 0.00 C ATOM 266 CE2 TYR A 19 -18.155 1.143 -9.712 1.00 0.00 C ATOM 267 CZ TYR A 19 -17.624 0.267 -10.624 1.00 0.00 C ATOM 268 OH TYR A 19 -18.460 -0.421 -11.481 1.00 0.00 O ATOM 0 H TYR A 19 -15.014 4.523 -6.729 1.00 0.00 H new ATOM 0 HA TYR A 19 -13.385 3.419 -8.858 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.232 1.719 -7.652 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.597 2.652 -7.070 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -14.367 0.596 -9.878 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.741 2.515 -8.142 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -15.850 -0.621 -11.406 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.223 1.296 -9.665 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.390 -0.167 -11.305 1.00 0.00 H new ATOM 278 N ASP A 20 -16.042 5.133 -9.468 1.00 0.00 N ATOM 279 CA ASP A 20 -16.813 5.820 -10.513 1.00 0.00 C ATOM 280 C ASP A 20 -15.907 6.727 -11.329 1.00 0.00 C ATOM 281 O ASP A 20 -16.182 7.039 -12.485 1.00 0.00 O ATOM 282 CB ASP A 20 -17.961 6.620 -9.886 1.00 0.00 C ATOM 283 CG ASP A 20 -18.827 7.313 -10.906 1.00 0.00 C ATOM 284 OD1 ASP A 20 -19.549 6.623 -11.647 1.00 0.00 O ATOM 285 OD2 ASP A 20 -18.804 8.554 -10.989 1.00 0.00 O ATOM 0 H ASP A 20 -16.293 5.416 -8.521 1.00 0.00 H new ATOM 0 HA ASP A 20 -17.240 5.073 -11.182 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -18.579 5.949 -9.289 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -17.548 7.363 -9.204 1.00 0.00 H new ATOM 290 N ALA A 21 -14.800 7.110 -10.718 1.00 0.00 N ATOM 291 CA ALA A 21 -13.789 7.914 -11.369 1.00 0.00 C ATOM 292 C ALA A 21 -13.106 7.131 -12.492 1.00 0.00 C ATOM 293 O ALA A 21 -12.543 7.716 -13.408 1.00 0.00 O ATOM 294 CB ALA A 21 -12.770 8.373 -10.359 1.00 0.00 C ATOM 0 H ALA A 21 -14.579 6.869 -9.752 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.273 8.785 -11.810 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.012 8.978 -10.856 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.262 8.968 -9.590 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.297 7.505 -9.899 1.00 0.00 H new ATOM 300 N GLY A 22 -13.150 5.805 -12.412 1.00 0.00 N ATOM 301 CA GLY A 22 -12.596 5.012 -13.484 1.00 0.00 C ATOM 302 C GLY A 22 -12.032 3.679 -13.049 1.00 0.00 C ATOM 303 O GLY A 22 -11.331 3.039 -13.822 1.00 0.00 O ATOM 0 H GLY A 22 -13.552 5.277 -11.638 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.372 4.838 -14.229 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.807 5.584 -13.972 1.00 0.00 H new ATOM 307 N ALA A 23 -12.348 3.261 -11.806 1.00 0.00 N ATOM 308 CA ALA A 23 -11.863 1.990 -11.213 1.00 0.00 C ATOM 309 C ALA A 23 -10.339 1.950 -11.186 1.00 0.00 C ATOM 310 O ALA A 23 -9.727 0.882 -11.133 1.00 0.00 O ATOM 311 CB ALA A 23 -12.432 0.786 -11.974 1.00 0.00 C ATOM 0 H ALA A 23 -12.950 3.796 -11.179 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.217 1.937 -10.183 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.064 -0.136 -11.524 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.521 0.805 -11.924 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.116 0.832 -13.016 1.00 0.00 H new ATOM 317 N ILE A 24 -9.755 3.136 -11.143 1.00 0.00 N ATOM 318 CA ILE A 24 -8.328 3.316 -11.236 1.00 0.00 C ATOM 319 C ILE A 24 -7.593 2.689 -10.074 1.00 0.00 C ATOM 320 O ILE A 24 -6.923 1.686 -10.246 1.00 0.00 O ATOM 321 CB ILE A 24 -7.950 4.818 -11.373 1.00 0.00 C ATOM 322 CG1 ILE A 24 -8.715 5.439 -12.556 1.00 0.00 C ATOM 323 CG2 ILE A 24 -6.435 4.978 -11.573 1.00 0.00 C ATOM 324 CD1 ILE A 24 -8.434 6.906 -12.782 1.00 0.00 C ATOM 0 H ILE A 24 -10.272 4.009 -11.041 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.011 2.798 -12.141 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.228 5.337 -10.456 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -8.464 4.890 -13.463 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.784 5.308 -12.390 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.190 6.036 -11.667 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.909 4.558 -10.716 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.130 4.453 -12.478 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.014 7.261 -13.634 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.713 7.471 -11.893 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.372 7.046 -12.983 1.00 0.00 H new ATOM 336 N TYR A 25 -7.785 3.239 -8.906 1.00 0.00 N ATOM 337 CA TYR A 25 -7.068 2.822 -7.719 1.00 0.00 C ATOM 338 C TYR A 25 -7.602 3.606 -6.515 1.00 0.00 C ATOM 339 O TYR A 25 -8.156 4.705 -6.675 1.00 0.00 O ATOM 340 CB TYR A 25 -5.533 3.057 -7.941 1.00 0.00 C ATOM 341 CG TYR A 25 -4.924 4.154 -7.169 1.00 0.00 C ATOM 342 CD1 TYR A 25 -4.441 3.906 -5.914 1.00 0.00 C ATOM 343 CD2 TYR A 25 -4.837 5.427 -7.680 1.00 0.00 C ATOM 344 CE1 TYR A 25 -3.893 4.883 -5.174 1.00 0.00 C ATOM 345 CE2 TYR A 25 -4.281 6.431 -6.947 1.00 0.00 C ATOM 346 CZ TYR A 25 -3.804 6.161 -5.686 1.00 0.00 C ATOM 347 OH TYR A 25 -3.248 7.171 -4.935 1.00 0.00 O ATOM 0 H TYR A 25 -8.448 3.997 -8.744 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.219 1.761 -7.523 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.007 2.134 -7.698 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.366 3.250 -9.001 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.501 2.906 -5.511 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.213 5.633 -8.671 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.523 4.669 -4.182 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.215 7.430 -7.352 1.00 0.00 H new ATOM 0 HH TYR A 25 -3.263 8.006 -5.447 1.00 0.00 H new ATOM 357 N GLY A 26 -7.457 3.037 -5.352 1.00 0.00 N ATOM 358 CA GLY A 26 -7.850 3.667 -4.121 1.00 0.00 C ATOM 359 C GLY A 26 -6.668 3.689 -3.190 1.00 0.00 C ATOM 360 O GLY A 26 -5.893 2.737 -3.170 1.00 0.00 O ATOM 0 H GLY A 26 -7.056 2.107 -5.229 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.200 4.682 -4.311 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.679 3.124 -3.667 1.00 0.00 H new ATOM 364 N GLY A 27 -6.524 4.741 -2.419 1.00 0.00 N ATOM 365 CA GLY A 27 -5.335 4.894 -1.610 1.00 0.00 C ATOM 366 C GLY A 27 -5.650 4.920 -0.150 1.00 0.00 C ATOM 367 O GLY A 27 -5.757 5.999 0.458 1.00 0.00 O ATOM 0 H GLY A 27 -7.205 5.496 -2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.647 4.074 -1.818 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.824 5.816 -1.887 1.00 0.00 H new ATOM 371 N LEU A 28 -5.792 3.761 0.415 1.00 0.00 N ATOM 372 CA LEU A 28 -6.129 3.620 1.788 1.00 0.00 C ATOM 373 C LEU A 28 -5.038 2.894 2.516 1.00 0.00 C ATOM 374 O LEU A 28 -4.403 2.010 1.969 1.00 0.00 O ATOM 375 CB LEU A 28 -7.561 2.981 2.020 1.00 0.00 C ATOM 376 CG LEU A 28 -7.962 1.597 1.365 1.00 0.00 C ATOM 377 CD1 LEU A 28 -7.965 1.626 -0.159 1.00 0.00 C ATOM 378 CD2 LEU A 28 -7.131 0.429 1.886 1.00 0.00 C ATOM 0 H LEU A 28 -5.674 2.875 -0.077 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.207 4.621 2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.689 2.871 3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.294 3.715 1.685 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.992 1.432 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.249 0.645 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.680 2.372 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.969 1.882 -0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.453 -0.492 1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.078 0.606 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.268 0.337 2.963 1.00 0.00 H new ATOM 390 N ILE A 29 -4.780 3.305 3.705 1.00 0.00 N ATOM 391 CA ILE A 29 -3.772 2.630 4.508 1.00 0.00 C ATOM 392 C ILE A 29 -4.326 1.828 5.624 1.00 0.00 C ATOM 393 O ILE A 29 -5.368 2.157 6.173 1.00 0.00 O ATOM 394 CB ILE A 29 -2.628 3.513 4.989 1.00 0.00 C ATOM 395 CG1 ILE A 29 -3.097 4.941 5.319 1.00 0.00 C ATOM 396 CG2 ILE A 29 -1.526 3.470 3.982 1.00 0.00 C ATOM 397 CD1 ILE A 29 -2.016 5.841 5.883 1.00 0.00 C ATOM 0 H ILE A 29 -5.237 4.096 4.158 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.335 1.934 3.792 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.242 3.125 5.931 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.497 5.397 4.413 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.916 4.885 6.036 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.702 4.099 4.317 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.176 2.444 3.869 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.895 3.835 3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.433 6.827 6.087 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.631 5.412 6.808 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.205 5.932 5.160 1.00 0.00 H new ATOM 409 N PHE A 30 -3.597 0.798 5.983 1.00 0.00 N ATOM 410 CA PHE A 30 -4.063 -0.158 6.983 1.00 0.00 C ATOM 411 C PHE A 30 -3.815 0.365 8.387 1.00 0.00 C ATOM 412 O PHE A 30 -2.801 0.019 9.014 1.00 0.00 O ATOM 413 CB PHE A 30 -3.357 -1.536 6.870 1.00 0.00 C ATOM 414 CG PHE A 30 -3.250 -2.131 5.495 1.00 0.00 C ATOM 415 CD1 PHE A 30 -4.271 -2.905 4.946 1.00 0.00 C ATOM 416 CD2 PHE A 30 -2.097 -1.933 4.760 1.00 0.00 C ATOM 417 CE1 PHE A 30 -4.122 -3.458 3.674 1.00 0.00 C ATOM 418 CE2 PHE A 30 -1.950 -2.476 3.514 1.00 0.00 C ATOM 419 CZ PHE A 30 -2.952 -3.237 2.965 1.00 0.00 C ATOM 0 H PHE A 30 -2.674 0.592 5.601 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.129 -0.285 6.793 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.351 -1.436 7.276 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.889 -2.244 7.506 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.178 -3.077 5.506 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.298 -1.339 5.177 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.913 -4.054 3.245 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.040 -2.305 2.958 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.828 -3.663 1.980 1.00 0.00 H new ATOM 429 N VAL A 31 -4.657 1.238 8.865 1.00 0.00 N ATOM 430 CA VAL A 31 -4.539 1.654 10.229 1.00 0.00 C ATOM 431 C VAL A 31 -5.743 1.125 10.965 1.00 0.00 C ATOM 432 O VAL A 31 -6.875 1.268 10.498 1.00 0.00 O ATOM 433 CB VAL A 31 -4.381 3.190 10.407 1.00 0.00 C ATOM 434 CG1 VAL A 31 -4.229 3.550 11.882 1.00 0.00 C ATOM 435 CG2 VAL A 31 -3.186 3.708 9.617 1.00 0.00 C ATOM 0 H VAL A 31 -5.419 1.667 8.340 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.618 1.245 10.643 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.283 3.665 10.022 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.120 4.630 11.984 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.112 3.221 12.430 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.346 3.056 12.288 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.096 4.785 9.757 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.278 3.219 9.969 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.328 3.491 8.558 1.00 0.00 H new ATOM 445 N ALA A 32 -5.484 0.471 12.076 1.00 0.00 N ATOM 446 CA ALA A 32 -6.490 -0.217 12.848 1.00 0.00 C ATOM 447 C ALA A 32 -7.648 0.683 13.263 1.00 0.00 C ATOM 448 O ALA A 32 -7.494 1.574 14.104 1.00 0.00 O ATOM 449 CB ALA A 32 -5.864 -0.884 14.064 1.00 0.00 C ATOM 0 H ALA A 32 -4.548 0.402 12.475 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.914 -0.981 12.196 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.637 -1.398 14.635 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.114 -1.604 13.738 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.392 -0.128 14.691 1.00 0.00 H new ATOM 455 N THR A 33 -8.776 0.470 12.605 1.00 0.00 N ATOM 456 CA THR A 33 -10.087 1.077 12.912 1.00 0.00 C ATOM 457 C THR A 33 -10.156 2.605 12.718 1.00 0.00 C ATOM 458 O THR A 33 -11.111 3.253 13.164 1.00 0.00 O ATOM 459 CB THR A 33 -10.635 0.662 14.330 1.00 0.00 C ATOM 460 OG1 THR A 33 -9.739 1.048 15.386 1.00 0.00 O ATOM 461 CG2 THR A 33 -10.841 -0.838 14.394 1.00 0.00 C ATOM 0 H THR A 33 -8.818 -0.158 11.803 1.00 0.00 H new ATOM 0 HA THR A 33 -10.748 0.654 12.156 1.00 0.00 H new ATOM 0 HB THR A 33 -11.583 1.182 14.470 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.009 1.586 15.015 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.220 -1.112 15.379 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.560 -1.139 13.632 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.892 -1.344 14.217 1.00 0.00 H new ATOM 469 N SER A 34 -9.213 3.167 12.005 1.00 0.00 N ATOM 470 CA SER A 34 -9.202 4.589 11.793 1.00 0.00 C ATOM 471 C SER A 34 -10.131 4.962 10.629 1.00 0.00 C ATOM 472 O SER A 34 -9.971 4.462 9.535 1.00 0.00 O ATOM 473 CB SER A 34 -7.783 5.014 11.518 1.00 0.00 C ATOM 474 OG SER A 34 -7.226 4.209 10.508 1.00 0.00 O ATOM 0 H SER A 34 -8.445 2.662 11.563 1.00 0.00 H new ATOM 0 HA SER A 34 -9.569 5.107 12.679 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.761 6.060 11.214 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.188 4.934 12.428 1.00 0.00 H new ATOM 0 HG SER A 34 -7.940 3.868 9.930 1.00 0.00 H new ATOM 480 N PRO A 35 -11.100 5.851 10.835 1.00 0.00 N ATOM 481 CA PRO A 35 -12.063 6.213 9.785 1.00 0.00 C ATOM 482 C PRO A 35 -11.448 6.909 8.551 1.00 0.00 C ATOM 483 O PRO A 35 -12.127 7.114 7.550 1.00 0.00 O ATOM 484 CB PRO A 35 -13.069 7.116 10.492 1.00 0.00 C ATOM 485 CG PRO A 35 -12.344 7.633 11.690 1.00 0.00 C ATOM 486 CD PRO A 35 -11.384 6.550 12.102 1.00 0.00 C ATOM 0 HA PRO A 35 -12.508 5.314 9.358 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.393 7.930 9.844 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -13.963 6.563 10.779 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.812 8.555 11.455 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.040 7.863 12.497 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.478 6.963 12.546 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.825 5.881 12.841 1.00 0.00 H new ATOM 494 N ARG A 36 -10.191 7.282 8.615 1.00 0.00 N ATOM 495 CA ARG A 36 -9.549 7.854 7.455 1.00 0.00 C ATOM 496 C ARG A 36 -8.457 6.936 6.904 1.00 0.00 C ATOM 497 O ARG A 36 -7.684 7.333 6.022 1.00 0.00 O ATOM 498 CB ARG A 36 -9.024 9.269 7.725 1.00 0.00 C ATOM 499 CG ARG A 36 -10.110 10.303 8.029 1.00 0.00 C ATOM 500 CD ARG A 36 -11.118 10.428 6.885 1.00 0.00 C ATOM 501 NE ARG A 36 -12.153 11.434 7.170 1.00 0.00 N ATOM 502 CZ ARG A 36 -13.436 11.377 6.758 1.00 0.00 C ATOM 503 NH1 ARG A 36 -13.857 10.392 5.970 1.00 0.00 N ATOM 504 NH2 ARG A 36 -14.284 12.335 7.109 1.00 0.00 N ATOM 0 H ARG A 36 -9.601 7.202 9.443 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.312 7.946 6.682 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.331 9.231 8.565 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.455 9.603 6.857 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.632 10.022 8.943 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.647 11.273 8.212 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.594 10.697 5.968 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.590 9.461 6.711 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.877 12.243 7.726 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.207 9.666 5.669 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.830 10.362 5.667 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.965 13.111 7.689 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.255 12.295 6.799 1.00 0.00 H new ATOM 518 N CYS A 37 -8.427 5.685 7.370 1.00 0.00 N ATOM 519 CA CYS A 37 -7.469 4.687 6.905 1.00 0.00 C ATOM 520 C CYS A 37 -8.105 3.300 7.080 1.00 0.00 C ATOM 521 O CYS A 37 -8.371 2.879 8.190 1.00 0.00 O ATOM 522 CB CYS A 37 -6.164 4.781 7.704 1.00 0.00 C ATOM 523 SG CYS A 37 -5.319 6.378 7.614 1.00 0.00 S ATOM 0 H CYS A 37 -9.069 5.338 8.082 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.228 4.861 5.856 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.380 4.561 8.749 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.483 4.007 7.349 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.994 7.184 6.849 1.00 0.00 H new ATOM 529 N VAL A 38 -8.298 2.584 6.004 1.00 0.00 N ATOM 530 CA VAL A 38 -9.051 1.358 6.066 1.00 0.00 C ATOM 531 C VAL A 38 -8.165 0.129 6.052 1.00 0.00 C ATOM 532 O VAL A 38 -7.188 0.035 5.314 1.00 0.00 O ATOM 533 CB VAL A 38 -10.158 1.319 4.936 1.00 0.00 C ATOM 534 CG1 VAL A 38 -10.291 -0.040 4.263 1.00 0.00 C ATOM 535 CG2 VAL A 38 -11.496 1.698 5.524 1.00 0.00 C ATOM 0 H VAL A 38 -7.946 2.826 5.078 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.563 1.339 7.028 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.842 2.031 4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.068 0.006 3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.342 -0.311 3.800 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.558 -0.790 5.007 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.257 1.671 4.744 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.759 0.994 6.313 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.439 2.704 5.940 1.00 0.00 H new ATOM 545 N ASN A 39 -8.539 -0.804 6.882 1.00 0.00 N ATOM 546 CA ASN A 39 -7.847 -2.057 7.016 1.00 0.00 C ATOM 547 C ASN A 39 -8.620 -3.132 6.344 1.00 0.00 C ATOM 548 O ASN A 39 -9.784 -2.913 5.991 1.00 0.00 O ATOM 549 CB ASN A 39 -7.481 -2.385 8.477 1.00 0.00 C ATOM 550 CG ASN A 39 -8.579 -2.116 9.466 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.716 -1.018 9.984 1.00 0.00 O ATOM 552 ND2 ASN A 39 -9.308 -3.095 9.784 1.00 0.00 N ATOM 0 H ASN A 39 -9.348 -0.714 7.496 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.885 -1.975 6.510 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.200 -3.436 8.541 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.604 -1.803 8.759 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.035 -2.981 10.491 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.171 -4.000 9.335 1.00 0.00 H new ATOM 559 N VAL A 40 -8.000 -4.295 6.182 1.00 0.00 N ATOM 560 CA VAL A 40 -8.548 -5.405 5.390 1.00 0.00 C ATOM 561 C VAL A 40 -9.971 -5.781 5.832 1.00 0.00 C ATOM 562 O VAL A 40 -10.795 -6.187 5.030 1.00 0.00 O ATOM 563 CB VAL A 40 -7.593 -6.643 5.414 1.00 0.00 C ATOM 564 CG1 VAL A 40 -7.502 -7.291 6.780 1.00 0.00 C ATOM 565 CG2 VAL A 40 -7.961 -7.659 4.367 1.00 0.00 C ATOM 0 H VAL A 40 -7.092 -4.502 6.599 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.619 -5.061 4.358 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.602 -6.255 5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.825 -8.144 6.734 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.124 -6.567 7.502 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.491 -7.629 7.089 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.272 -8.502 4.420 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.978 -8.010 4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.900 -7.202 3.379 1.00 0.00 H new ATOM 575 N GLU A 41 -10.237 -5.575 7.080 1.00 0.00 N ATOM 576 CA GLU A 41 -11.492 -5.825 7.685 1.00 0.00 C ATOM 577 C GLU A 41 -12.607 -4.970 7.074 1.00 0.00 C ATOM 578 O GLU A 41 -13.606 -5.497 6.590 1.00 0.00 O ATOM 579 CB GLU A 41 -11.377 -5.587 9.157 1.00 0.00 C ATOM 580 CG GLU A 41 -10.525 -6.623 9.870 1.00 0.00 C ATOM 581 CD GLU A 41 -9.019 -6.378 9.801 1.00 0.00 C ATOM 582 OE1 GLU A 41 -8.565 -5.468 9.071 1.00 0.00 O ATOM 583 OE2 GLU A 41 -8.268 -7.074 10.485 1.00 0.00 O ATOM 0 H GLU A 41 -9.545 -5.209 7.734 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.766 -6.864 7.501 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.951 -4.598 9.326 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -12.375 -5.583 9.596 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.824 -6.659 10.917 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.738 -7.603 9.443 1.00 0.00 H new ATOM 590 N GLN A 42 -12.427 -3.648 7.074 1.00 0.00 N ATOM 591 CA GLN A 42 -13.394 -2.749 6.440 1.00 0.00 C ATOM 592 C GLN A 42 -13.329 -2.899 4.941 1.00 0.00 C ATOM 593 O GLN A 42 -14.331 -2.921 4.265 1.00 0.00 O ATOM 594 CB GLN A 42 -13.073 -1.326 6.800 1.00 0.00 C ATOM 595 CG GLN A 42 -13.239 -1.033 8.271 1.00 0.00 C ATOM 596 CD GLN A 42 -12.403 0.100 8.692 1.00 0.00 C ATOM 597 OE1 GLN A 42 -11.263 -0.219 9.165 1.00 0.00 O flip ATOM 598 NE2 GLN A 42 -12.799 1.249 8.635 1.00 0.00 N flip ATOM 0 H GLN A 42 -11.628 -3.179 7.502 1.00 0.00 H new ATOM 0 HA GLN A 42 -14.394 -3.004 6.791 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -12.047 -1.106 6.506 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.718 -0.659 6.228 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.285 -0.813 8.484 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.975 -1.917 8.851 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.720 1.452 8.247 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -12.210 2.009 8.975 1.00 0.00 H new ATOM 607 N ALA A 43 -12.135 -3.069 4.446 1.00 0.00 N ATOM 608 CA ALA A 43 -11.878 -3.183 3.025 1.00 0.00 C ATOM 609 C ALA A 43 -12.599 -4.392 2.419 1.00 0.00 C ATOM 610 O ALA A 43 -12.927 -4.409 1.255 1.00 0.00 O ATOM 611 CB ALA A 43 -10.395 -3.279 2.805 1.00 0.00 C ATOM 0 H ALA A 43 -11.295 -3.134 5.022 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.266 -2.297 2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.190 -3.365 1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.910 -2.384 3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.007 -4.157 3.321 1.00 0.00 H new ATOM 617 N GLN A 44 -12.831 -5.386 3.241 1.00 0.00 N ATOM 618 CA GLN A 44 -13.545 -6.595 2.862 1.00 0.00 C ATOM 619 C GLN A 44 -14.987 -6.300 2.418 1.00 0.00 C ATOM 620 O GLN A 44 -15.506 -6.948 1.517 1.00 0.00 O ATOM 621 CB GLN A 44 -13.555 -7.575 4.024 1.00 0.00 C ATOM 622 CG GLN A 44 -13.373 -8.998 3.592 1.00 0.00 C ATOM 623 CD GLN A 44 -11.987 -9.200 3.020 1.00 0.00 C ATOM 624 OE1 GLN A 44 -11.027 -8.443 3.521 1.00 0.00 O flip ATOM 625 NE2 GLN A 44 -11.778 -10.021 2.144 1.00 0.00 N flip ATOM 0 H GLN A 44 -12.525 -5.383 4.214 1.00 0.00 H new ATOM 0 HA GLN A 44 -13.021 -7.032 2.012 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -12.762 -7.309 4.723 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -14.498 -7.482 4.562 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.524 -9.665 4.441 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -14.123 -9.257 2.845 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -12.545 -10.587 1.782 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.836 -10.142 1.773 1.00 0.00 H new ATOM 634 N GLU A 45 -15.635 -5.340 3.052 1.00 0.00 N ATOM 635 CA GLU A 45 -16.983 -4.975 2.653 1.00 0.00 C ATOM 636 C GLU A 45 -16.908 -3.961 1.537 1.00 0.00 C ATOM 637 O GLU A 45 -17.614 -4.029 0.533 1.00 0.00 O ATOM 638 CB GLU A 45 -17.746 -4.431 3.857 1.00 0.00 C ATOM 639 CG GLU A 45 -17.233 -3.138 4.478 1.00 0.00 C ATOM 640 CD GLU A 45 -17.926 -2.778 5.754 1.00 0.00 C ATOM 641 OE1 GLU A 45 -19.036 -2.195 5.704 1.00 0.00 O ATOM 642 OE2 GLU A 45 -17.376 -3.064 6.840 1.00 0.00 O ATOM 0 H GLU A 45 -15.257 -4.805 3.834 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.521 -5.850 2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.782 -4.275 3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.750 -5.199 4.630 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.164 -3.234 4.668 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.358 -2.325 3.763 1.00 0.00 H new ATOM 649 N VAL A 46 -16.026 -3.068 1.748 1.00 0.00 N ATOM 650 CA VAL A 46 -15.660 -1.979 0.866 1.00 0.00 C ATOM 651 C VAL A 46 -15.244 -2.457 -0.563 1.00 0.00 C ATOM 652 O VAL A 46 -15.524 -1.773 -1.551 1.00 0.00 O ATOM 653 CB VAL A 46 -14.563 -1.147 1.592 1.00 0.00 C ATOM 654 CG1 VAL A 46 -13.721 -0.294 0.693 1.00 0.00 C ATOM 655 CG2 VAL A 46 -15.197 -0.274 2.664 1.00 0.00 C ATOM 0 H VAL A 46 -15.481 -3.058 2.610 1.00 0.00 H new ATOM 0 HA VAL A 46 -16.527 -1.348 0.671 1.00 0.00 H new ATOM 0 HB VAL A 46 -13.887 -1.882 2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.986 0.247 1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -13.207 -0.926 -0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.357 0.418 0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.422 0.305 3.167 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.915 0.404 2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -15.709 -0.905 3.391 1.00 0.00 H new ATOM 665 N MET A 47 -14.637 -3.645 -0.668 1.00 0.00 N ATOM 666 CA MET A 47 -14.254 -4.217 -1.985 1.00 0.00 C ATOM 667 C MET A 47 -15.490 -4.474 -2.842 1.00 0.00 C ATOM 668 O MET A 47 -15.459 -4.347 -4.062 1.00 0.00 O ATOM 669 CB MET A 47 -13.450 -5.548 -1.863 1.00 0.00 C ATOM 670 CG MET A 47 -14.230 -6.709 -1.249 1.00 0.00 C ATOM 671 SD MET A 47 -13.475 -8.345 -1.506 1.00 0.00 S ATOM 672 CE MET A 47 -11.871 -8.133 -0.749 1.00 0.00 C ATOM 0 H MET A 47 -14.398 -4.233 0.130 1.00 0.00 H new ATOM 0 HA MET A 47 -13.610 -3.474 -2.455 1.00 0.00 H new ATOM 0 HB2 MET A 47 -13.107 -5.842 -2.855 1.00 0.00 H new ATOM 0 HB3 MET A 47 -12.561 -5.366 -1.260 1.00 0.00 H new ATOM 0 HG2 MET A 47 -14.333 -6.535 -0.178 1.00 0.00 H new ATOM 0 HG3 MET A 47 -15.236 -6.717 -1.669 1.00 0.00 H new ATOM 0 HE1 MET A 47 -11.519 -9.092 -0.369 1.00 0.00 H new ATOM 0 HE2 MET A 47 -11.166 -7.755 -1.490 1.00 0.00 H new ATOM 0 HE3 MET A 47 -11.948 -7.422 0.074 1.00 0.00 H new ATOM 682 N ALA A 48 -16.591 -4.790 -2.178 1.00 0.00 N ATOM 683 CA ALA A 48 -17.828 -5.109 -2.848 1.00 0.00 C ATOM 684 C ALA A 48 -18.564 -3.833 -3.215 1.00 0.00 C ATOM 685 O ALA A 48 -19.528 -3.849 -3.972 1.00 0.00 O ATOM 686 CB ALA A 48 -18.688 -6.002 -1.964 1.00 0.00 C ATOM 0 H ALA A 48 -16.645 -4.831 -1.160 1.00 0.00 H new ATOM 0 HA ALA A 48 -17.608 -5.653 -3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -19.619 -6.236 -2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -18.151 -6.925 -1.747 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -18.911 -5.484 -1.031 1.00 0.00 H new ATOM 692 N ALA A 49 -18.102 -2.729 -2.680 1.00 0.00 N ATOM 693 CA ALA A 49 -18.702 -1.464 -2.968 1.00 0.00 C ATOM 694 C ALA A 49 -18.025 -0.846 -4.175 1.00 0.00 C ATOM 695 O ALA A 49 -18.691 -0.422 -5.128 1.00 0.00 O ATOM 696 CB ALA A 49 -18.615 -0.536 -1.761 1.00 0.00 C ATOM 0 H ALA A 49 -17.308 -2.689 -2.041 1.00 0.00 H new ATOM 0 HA ALA A 49 -19.758 -1.614 -3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -19.078 0.421 -2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.136 -0.988 -0.917 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -17.569 -0.377 -1.499 1.00 0.00 H new ATOM 702 N ALA A 50 -16.703 -0.834 -4.175 1.00 0.00 N ATOM 703 CA ALA A 50 -15.987 -0.243 -5.211 1.00 0.00 C ATOM 704 C ALA A 50 -14.894 -1.188 -5.655 1.00 0.00 C ATOM 705 O ALA A 50 -13.860 -1.315 -4.986 1.00 0.00 O ATOM 706 CB ALA A 50 -15.418 1.073 -4.737 1.00 0.00 C ATOM 0 H ALA A 50 -16.127 -1.244 -3.440 1.00 0.00 H new ATOM 0 HA ALA A 50 -16.638 -0.044 -6.062 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -14.856 1.539 -5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -16.231 1.732 -4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -14.756 0.899 -3.889 1.00 0.00 H new ATOM 712 N PRO A 51 -15.121 -1.925 -6.755 1.00 0.00 N ATOM 713 CA PRO A 51 -14.126 -2.848 -7.313 1.00 0.00 C ATOM 714 C PRO A 51 -12.992 -2.097 -8.028 1.00 0.00 C ATOM 715 O PRO A 51 -12.716 -2.305 -9.220 1.00 0.00 O ATOM 716 CB PRO A 51 -14.936 -3.701 -8.292 1.00 0.00 C ATOM 717 CG PRO A 51 -16.075 -2.841 -8.698 1.00 0.00 C ATOM 718 CD PRO A 51 -16.390 -1.962 -7.519 1.00 0.00 C ATOM 0 HA PRO A 51 -13.629 -3.441 -6.546 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.335 -3.992 -9.153 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.284 -4.620 -7.821 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -15.816 -2.241 -9.570 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -16.939 -3.446 -8.972 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -16.696 -0.965 -7.834 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -17.205 -2.371 -6.922 1.00 0.00 H new ATOM 726 N LEU A 52 -12.378 -1.207 -7.294 1.00 0.00 N ATOM 727 CA LEU A 52 -11.237 -0.452 -7.740 1.00 0.00 C ATOM 728 C LEU A 52 -9.956 -1.133 -7.252 1.00 0.00 C ATOM 729 O LEU A 52 -10.026 -2.068 -6.476 1.00 0.00 O ATOM 730 CB LEU A 52 -11.357 1.022 -7.245 1.00 0.00 C ATOM 731 CG LEU A 52 -11.882 1.234 -5.796 1.00 0.00 C ATOM 732 CD1 LEU A 52 -10.854 0.897 -4.736 1.00 0.00 C ATOM 733 CD2 LEU A 52 -12.439 2.629 -5.591 1.00 0.00 C ATOM 0 H LEU A 52 -12.666 -0.981 -6.342 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.199 -0.424 -8.829 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.374 1.487 -7.322 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.017 1.557 -7.927 1.00 0.00 H new ATOM 0 HG LEU A 52 -12.701 0.525 -5.674 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.282 1.066 -3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.562 -0.149 -4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.977 1.531 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.794 2.732 -4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.657 3.364 -5.780 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.267 2.795 -6.280 1.00 0.00 H new ATOM 745 N GLN A 53 -8.817 -0.678 -7.714 1.00 0.00 N ATOM 746 CA GLN A 53 -7.538 -1.223 -7.296 1.00 0.00 C ATOM 747 C GLN A 53 -7.220 -0.800 -5.859 1.00 0.00 C ATOM 748 O GLN A 53 -7.505 0.328 -5.464 1.00 0.00 O ATOM 749 CB GLN A 53 -6.446 -0.759 -8.271 1.00 0.00 C ATOM 750 CG GLN A 53 -5.142 -0.394 -7.612 1.00 0.00 C ATOM 751 CD GLN A 53 -4.064 0.049 -8.576 1.00 0.00 C ATOM 752 OE1 GLN A 53 -4.330 0.541 -9.660 1.00 0.00 O ATOM 753 NE2 GLN A 53 -2.852 -0.017 -8.140 1.00 0.00 N ATOM 0 H GLN A 53 -8.745 0.081 -8.391 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.581 -2.312 -7.314 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.263 -1.551 -8.997 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.813 0.104 -8.826 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.322 0.405 -6.893 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.779 -1.254 -7.048 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.660 -0.434 -7.229 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.086 0.348 -8.706 1.00 0.00 H new ATOM 762 N TYR A 54 -6.619 -1.679 -5.101 1.00 0.00 N ATOM 763 CA TYR A 54 -6.297 -1.387 -3.736 1.00 0.00 C ATOM 764 C TYR A 54 -4.782 -1.376 -3.591 1.00 0.00 C ATOM 765 O TYR A 54 -4.075 -2.202 -4.203 1.00 0.00 O ATOM 766 CB TYR A 54 -6.909 -2.453 -2.806 1.00 0.00 C ATOM 767 CG TYR A 54 -8.338 -2.822 -3.153 1.00 0.00 C ATOM 768 CD1 TYR A 54 -9.407 -2.014 -2.795 1.00 0.00 C ATOM 769 CD2 TYR A 54 -8.604 -3.975 -3.882 1.00 0.00 C ATOM 770 CE1 TYR A 54 -10.700 -2.351 -3.155 1.00 0.00 C ATOM 771 CE2 TYR A 54 -9.882 -4.309 -4.251 1.00 0.00 C ATOM 772 CZ TYR A 54 -10.928 -3.498 -3.889 1.00 0.00 C ATOM 773 OH TYR A 54 -12.208 -3.824 -4.280 1.00 0.00 O ATOM 0 H TYR A 54 -6.342 -2.610 -5.413 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.706 -0.416 -3.458 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.293 -3.351 -2.844 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.877 -2.087 -1.780 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.228 -1.112 -2.229 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -7.787 -4.622 -4.164 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.527 -1.720 -2.863 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.064 -5.206 -4.824 1.00 0.00 H new ATOM 0 HH TYR A 54 -12.703 -3.006 -4.495 1.00 0.00 H new ATOM 783 N VAL A 55 -4.279 -0.455 -2.833 1.00 0.00 N ATOM 784 CA VAL A 55 -2.869 -0.369 -2.601 1.00 0.00 C ATOM 785 C VAL A 55 -2.641 -0.282 -1.111 1.00 0.00 C ATOM 786 O VAL A 55 -3.482 0.242 -0.390 1.00 0.00 O ATOM 787 CB VAL A 55 -2.210 0.840 -3.350 1.00 0.00 C ATOM 788 CG1 VAL A 55 -2.744 2.178 -2.863 1.00 0.00 C ATOM 789 CG2 VAL A 55 -0.698 0.796 -3.234 1.00 0.00 C ATOM 0 H VAL A 55 -4.831 0.259 -2.357 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.389 -1.261 -3.004 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.481 0.744 -4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.258 2.985 -3.411 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.820 2.223 -3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.537 2.287 -1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.268 1.646 -3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.412 0.840 -2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.326 -0.130 -3.673 1.00 0.00 H new ATOM 799 N GLY A 56 -1.560 -0.838 -0.655 1.00 0.00 N ATOM 800 CA GLY A 56 -1.275 -0.816 0.736 1.00 0.00 C ATOM 801 C GLY A 56 0.071 -0.247 1.043 1.00 0.00 C ATOM 802 O GLY A 56 1.055 -0.632 0.455 1.00 0.00 O ATOM 0 H GLY A 56 -0.864 -1.311 -1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.038 -0.230 1.249 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.334 -1.831 1.130 1.00 0.00 H new ATOM 806 N VAL A 57 0.113 0.680 1.943 1.00 0.00 N ATOM 807 CA VAL A 57 1.360 1.247 2.390 1.00 0.00 C ATOM 808 C VAL A 57 1.519 0.857 3.844 1.00 0.00 C ATOM 809 O VAL A 57 0.699 1.238 4.678 1.00 0.00 O ATOM 810 CB VAL A 57 1.372 2.796 2.258 1.00 0.00 C ATOM 811 CG1 VAL A 57 2.727 3.365 2.629 1.00 0.00 C ATOM 812 CG2 VAL A 57 0.958 3.234 0.859 1.00 0.00 C ATOM 0 H VAL A 57 -0.713 1.072 2.395 1.00 0.00 H new ATOM 0 HA VAL A 57 2.178 0.872 1.775 1.00 0.00 H new ATOM 0 HB VAL A 57 0.639 3.194 2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.706 4.450 2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.962 3.102 3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.488 2.953 1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.976 4.322 0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.651 2.818 0.128 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.050 2.876 0.649 1.00 0.00 H new ATOM 822 N PHE A 58 2.533 0.087 4.153 1.00 0.00 N ATOM 823 CA PHE A 58 2.682 -0.428 5.494 1.00 0.00 C ATOM 824 C PHE A 58 4.162 -0.591 5.819 1.00 0.00 C ATOM 825 O PHE A 58 4.992 -0.691 4.910 1.00 0.00 O ATOM 826 CB PHE A 58 1.932 -1.781 5.579 1.00 0.00 C ATOM 827 CG PHE A 58 1.854 -2.404 6.946 1.00 0.00 C ATOM 828 CD1 PHE A 58 1.055 -1.846 7.930 1.00 0.00 C ATOM 829 CD2 PHE A 58 2.557 -3.560 7.237 1.00 0.00 C ATOM 830 CE1 PHE A 58 0.963 -2.428 9.176 1.00 0.00 C ATOM 831 CE2 PHE A 58 2.472 -4.144 8.482 1.00 0.00 C ATOM 832 CZ PHE A 58 1.673 -3.577 9.454 1.00 0.00 C ATOM 0 H PHE A 58 3.264 -0.196 3.500 1.00 0.00 H new ATOM 0 HA PHE A 58 2.258 0.261 6.224 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.917 -1.636 5.209 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.419 -2.487 4.906 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.498 -0.945 7.719 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.180 -4.010 6.478 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.335 -1.984 9.934 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.030 -5.044 8.697 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.604 -4.032 10.431 1.00 0.00 H new ATOM 842 N ARG A 59 4.509 -0.513 7.088 1.00 0.00 N ATOM 843 CA ARG A 59 5.864 -0.798 7.501 1.00 0.00 C ATOM 844 C ARG A 59 5.955 -2.302 7.720 1.00 0.00 C ATOM 845 O ARG A 59 5.583 -2.839 8.768 1.00 0.00 O ATOM 846 CB ARG A 59 6.278 0.015 8.759 1.00 0.00 C ATOM 847 CG ARG A 59 5.402 -0.202 9.990 1.00 0.00 C ATOM 848 CD ARG A 59 5.893 0.584 11.179 1.00 0.00 C ATOM 849 NE ARG A 59 5.137 0.251 12.389 1.00 0.00 N ATOM 850 CZ ARG A 59 5.041 1.013 13.476 1.00 0.00 C ATOM 851 NH1 ARG A 59 5.512 2.260 13.478 1.00 0.00 N ATOM 852 NH2 ARG A 59 4.432 0.540 14.545 1.00 0.00 N ATOM 0 H ARG A 59 3.875 -0.256 7.845 1.00 0.00 H new ATOM 0 HA ARG A 59 6.570 -0.489 6.730 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.306 -0.240 9.015 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.266 1.075 8.507 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.377 0.089 9.761 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.384 -1.263 10.239 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.951 0.378 11.341 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.803 1.651 10.974 1.00 0.00 H new ATOM 0 HE ARG A 59 4.642 -0.641 12.399 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.952 2.640 12.640 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.432 2.834 14.317 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.040 -0.402 14.534 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.353 1.116 15.383 1.00 0.00 H new ATOM 866 N ASN A 60 6.371 -2.973 6.700 1.00 0.00 N ATOM 867 CA ASN A 60 6.371 -4.381 6.662 1.00 0.00 C ATOM 868 C ASN A 60 7.335 -4.964 7.620 1.00 0.00 C ATOM 869 O ASN A 60 8.533 -4.774 7.548 1.00 0.00 O ATOM 870 CB ASN A 60 6.660 -4.891 5.244 1.00 0.00 C ATOM 871 CG ASN A 60 5.549 -4.617 4.242 1.00 0.00 C ATOM 872 OD1 ASN A 60 5.471 -5.432 3.231 1.00 0.00 O flip ATOM 873 ND2 ASN A 60 4.787 -3.673 4.363 1.00 0.00 N flip ATOM 0 H ASN A 60 6.729 -2.537 5.850 1.00 0.00 H new ATOM 0 HA ASN A 60 5.373 -4.705 6.958 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.580 -4.429 4.885 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.838 -5.965 5.286 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.871 -3.050 5.166 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.066 -3.507 3.661 1.00 0.00 H new ATOM 880 N HIS A 61 6.774 -5.642 8.515 1.00 0.00 N ATOM 881 CA HIS A 61 7.490 -6.454 9.458 1.00 0.00 C ATOM 882 C HIS A 61 7.268 -7.908 9.116 1.00 0.00 C ATOM 883 O HIS A 61 8.148 -8.563 8.553 1.00 0.00 O ATOM 884 CB HIS A 61 7.151 -6.120 10.951 1.00 0.00 C ATOM 885 CG HIS A 61 5.688 -5.959 11.314 1.00 0.00 C ATOM 886 ND1 HIS A 61 4.887 -6.965 11.844 1.00 0.00 N ATOM 887 CD2 HIS A 61 4.906 -4.856 11.263 1.00 0.00 C ATOM 888 CE1 HIS A 61 3.683 -6.440 12.088 1.00 0.00 C ATOM 889 NE2 HIS A 61 3.644 -5.159 11.753 1.00 0.00 N ATOM 0 H HIS A 61 5.762 -5.668 8.641 1.00 0.00 H new ATOM 0 HA HIS A 61 8.553 -6.227 9.372 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.568 -6.909 11.576 1.00 0.00 H new ATOM 0 HB3 HIS A 61 7.667 -5.197 11.216 1.00 0.00 H new ATOM 0 HD1 HIS A 61 5.168 -7.930 12.016 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.217 -3.888 10.897 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.851 -6.988 12.504 1.00 0.00 H new ATOM 897 N ASP A 62 6.082 -8.386 9.384 1.00 0.00 N ATOM 898 CA ASP A 62 5.706 -9.747 9.058 1.00 0.00 C ATOM 899 C ASP A 62 5.363 -9.871 7.612 1.00 0.00 C ATOM 900 O ASP A 62 4.321 -9.367 7.165 1.00 0.00 O ATOM 901 CB ASP A 62 4.526 -10.244 9.896 1.00 0.00 C ATOM 902 CG ASP A 62 4.913 -10.632 11.281 1.00 0.00 C ATOM 903 OD1 ASP A 62 4.965 -9.744 12.163 1.00 0.00 O ATOM 904 OD2 ASP A 62 5.179 -11.837 11.516 1.00 0.00 O ATOM 0 H ASP A 62 5.344 -7.846 9.835 1.00 0.00 H new ATOM 0 HA ASP A 62 6.572 -10.367 9.288 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.767 -9.463 9.943 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.071 -11.101 9.399 1.00 0.00 H new ATOM 909 N ILE A 63 6.222 -10.530 6.869 1.00 0.00 N ATOM 910 CA ILE A 63 5.983 -10.754 5.469 1.00 0.00 C ATOM 911 C ILE A 63 4.726 -11.595 5.255 1.00 0.00 C ATOM 912 O ILE A 63 3.941 -11.324 4.361 1.00 0.00 O ATOM 913 CB ILE A 63 7.219 -11.372 4.759 1.00 0.00 C ATOM 914 CG1 ILE A 63 6.934 -11.591 3.279 1.00 0.00 C ATOM 915 CG2 ILE A 63 7.636 -12.682 5.428 1.00 0.00 C ATOM 916 CD1 ILE A 63 8.160 -11.883 2.453 1.00 0.00 C ATOM 0 H ILE A 63 7.097 -10.921 7.217 1.00 0.00 H new ATOM 0 HA ILE A 63 5.813 -9.782 5.007 1.00 0.00 H new ATOM 0 HB ILE A 63 8.047 -10.669 4.849 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.233 -12.419 3.174 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.443 -10.704 2.879 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.503 -13.094 4.912 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.890 -12.493 6.471 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.812 -13.394 5.379 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.871 -12.026 1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.855 -11.046 2.525 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.642 -12.788 2.824 1.00 0.00 H new ATOM 928 N ALA A 64 4.478 -12.521 6.157 1.00 0.00 N ATOM 929 CA ALA A 64 3.339 -13.401 6.038 1.00 0.00 C ATOM 930 C ALA A 64 2.041 -12.635 6.261 1.00 0.00 C ATOM 931 O ALA A 64 0.984 -13.008 5.745 1.00 0.00 O ATOM 932 CB ALA A 64 3.459 -14.542 7.027 1.00 0.00 C ATOM 0 H ALA A 64 5.054 -12.683 6.983 1.00 0.00 H new ATOM 0 HA ALA A 64 3.321 -13.812 5.029 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.596 -15.200 6.930 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.370 -15.106 6.824 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.498 -14.142 8.040 1.00 0.00 H new ATOM 938 N ASP A 65 2.146 -11.520 6.952 1.00 0.00 N ATOM 939 CA ASP A 65 0.971 -10.751 7.313 1.00 0.00 C ATOM 940 C ASP A 65 0.597 -9.811 6.191 1.00 0.00 C ATOM 941 O ASP A 65 -0.583 -9.543 5.944 1.00 0.00 O ATOM 942 CB ASP A 65 1.195 -9.967 8.596 1.00 0.00 C ATOM 943 CG ASP A 65 -0.104 -9.392 9.151 1.00 0.00 C ATOM 944 OD1 ASP A 65 -0.585 -8.355 8.655 1.00 0.00 O ATOM 945 OD2 ASP A 65 -0.677 -10.005 10.086 1.00 0.00 O ATOM 0 H ASP A 65 3.029 -11.125 7.275 1.00 0.00 H new ATOM 0 HA ASP A 65 0.153 -11.451 7.483 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.651 -10.617 9.343 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.898 -9.156 8.407 1.00 0.00 H new ATOM 950 N VAL A 66 1.595 -9.315 5.490 1.00 0.00 N ATOM 951 CA VAL A 66 1.334 -8.434 4.379 1.00 0.00 C ATOM 952 C VAL A 66 0.865 -9.244 3.165 1.00 0.00 C ATOM 953 O VAL A 66 0.023 -8.783 2.399 1.00 0.00 O ATOM 954 CB VAL A 66 2.545 -7.514 4.036 1.00 0.00 C ATOM 955 CG1 VAL A 66 3.731 -8.296 3.526 1.00 0.00 C ATOM 956 CG2 VAL A 66 2.143 -6.416 3.062 1.00 0.00 C ATOM 0 H VAL A 66 2.581 -9.505 5.669 1.00 0.00 H new ATOM 0 HA VAL A 66 0.532 -7.758 4.676 1.00 0.00 H new ATOM 0 HB VAL A 66 2.858 -7.040 4.966 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.549 -7.611 3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.052 -9.007 4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.450 -8.835 2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.008 -5.791 2.842 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.775 -6.865 2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.357 -5.805 3.507 1.00 0.00 H new ATOM 966 N VAL A 67 1.375 -10.483 3.034 1.00 0.00 N ATOM 967 CA VAL A 67 0.927 -11.395 1.972 1.00 0.00 C ATOM 968 C VAL A 67 -0.536 -11.739 2.207 1.00 0.00 C ATOM 969 O VAL A 67 -1.315 -11.923 1.266 1.00 0.00 O ATOM 970 CB VAL A 67 1.773 -12.701 1.913 1.00 0.00 C ATOM 971 CG1 VAL A 67 1.239 -13.652 0.851 1.00 0.00 C ATOM 972 CG2 VAL A 67 3.218 -12.381 1.615 1.00 0.00 C ATOM 0 H VAL A 67 2.092 -10.871 3.647 1.00 0.00 H new ATOM 0 HA VAL A 67 1.057 -10.889 1.016 1.00 0.00 H new ATOM 0 HB VAL A 67 1.701 -13.185 2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.849 -14.555 0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.207 -13.915 1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.278 -13.167 -0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.795 -13.305 1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.287 -11.871 0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.617 -11.736 2.398 1.00 0.00 H new ATOM 982 N ASP A 68 -0.889 -11.804 3.479 1.00 0.00 N ATOM 983 CA ASP A 68 -2.260 -11.991 3.909 1.00 0.00 C ATOM 984 C ASP A 68 -3.131 -10.892 3.334 1.00 0.00 C ATOM 985 O ASP A 68 -4.022 -11.159 2.553 1.00 0.00 O ATOM 986 CB ASP A 68 -2.333 -12.001 5.443 1.00 0.00 C ATOM 987 CG ASP A 68 -3.739 -11.926 5.998 1.00 0.00 C ATOM 988 OD1 ASP A 68 -4.438 -12.964 6.053 1.00 0.00 O ATOM 989 OD2 ASP A 68 -4.157 -10.822 6.427 1.00 0.00 O ATOM 0 H ASP A 68 -0.224 -11.727 4.248 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.627 -12.950 3.544 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.857 -12.909 5.812 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.757 -11.160 5.828 1.00 0.00 H new ATOM 994 N LYS A 69 -2.788 -9.653 3.640 1.00 0.00 N ATOM 995 CA LYS A 69 -3.568 -8.485 3.195 1.00 0.00 C ATOM 996 C LYS A 69 -3.615 -8.414 1.667 1.00 0.00 C ATOM 997 O LYS A 69 -4.669 -8.130 1.075 1.00 0.00 O ATOM 998 CB LYS A 69 -2.957 -7.189 3.754 1.00 0.00 C ATOM 999 CG LYS A 69 -2.769 -7.187 5.266 1.00 0.00 C ATOM 1000 CD LYS A 69 -4.081 -7.403 5.968 1.00 0.00 C ATOM 1001 CE LYS A 69 -3.920 -7.553 7.465 1.00 0.00 C ATOM 1002 NZ LYS A 69 -3.148 -8.762 7.835 1.00 0.00 N ATOM 0 H LYS A 69 -1.969 -9.417 4.200 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.585 -8.594 3.573 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.990 -7.022 3.279 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.597 -6.351 3.478 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.066 -7.970 5.551 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.334 -6.238 5.582 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.743 -6.563 5.760 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.562 -8.295 5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.420 -6.670 7.863 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.905 -7.598 7.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.457 -9.099 8.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.310 -9.507 7.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.135 -8.530 7.868 1.00 0.00 H new ATOM 1016 N ALA A 70 -2.473 -8.707 1.061 1.00 0.00 N ATOM 1017 CA ALA A 70 -2.288 -8.743 -0.383 1.00 0.00 C ATOM 1018 C ALA A 70 -3.244 -9.736 -1.024 1.00 0.00 C ATOM 1019 O ALA A 70 -3.778 -9.476 -2.090 1.00 0.00 O ATOM 1020 CB ALA A 70 -0.859 -9.166 -0.669 1.00 0.00 C ATOM 0 H ALA A 70 -1.623 -8.933 1.577 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.490 -7.756 -0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.698 -9.200 -1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.171 -8.449 -0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.680 -10.154 -0.244 1.00 0.00 H new ATOM 1026 N LYS A 71 -3.452 -10.860 -0.371 1.00 0.00 N ATOM 1027 CA LYS A 71 -4.309 -11.898 -0.895 1.00 0.00 C ATOM 1028 C LYS A 71 -5.771 -11.634 -0.571 1.00 0.00 C ATOM 1029 O LYS A 71 -6.597 -11.590 -1.465 1.00 0.00 O ATOM 1030 CB LYS A 71 -3.900 -13.273 -0.349 1.00 0.00 C ATOM 1031 CG LYS A 71 -4.775 -14.413 -0.862 1.00 0.00 C ATOM 1032 CD LYS A 71 -4.467 -15.786 -0.240 1.00 0.00 C ATOM 1033 CE LYS A 71 -3.072 -16.344 -0.570 1.00 0.00 C ATOM 1034 NZ LYS A 71 -1.966 -15.666 0.144 1.00 0.00 N ATOM 0 H LYS A 71 -3.033 -11.078 0.533 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.191 -11.894 -1.979 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.863 -13.470 -0.621 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.945 -13.252 0.740 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.819 -14.167 -0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.659 -14.484 -1.943 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.566 -15.709 0.843 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.218 -16.500 -0.579 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.050 -17.406 -0.327 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.903 -16.259 -1.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.439 -15.066 -0.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.355 -15.077 0.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.326 -16.379 0.549 1.00 0.00 H new ATOM 1048 N VAL A 72 -6.062 -11.427 0.705 1.00 0.00 N ATOM 1049 CA VAL A 72 -7.436 -11.281 1.204 1.00 0.00 C ATOM 1050 C VAL A 72 -8.180 -10.147 0.494 1.00 0.00 C ATOM 1051 O VAL A 72 -9.230 -10.358 -0.113 1.00 0.00 O ATOM 1052 CB VAL A 72 -7.451 -11.045 2.738 1.00 0.00 C ATOM 1053 CG1 VAL A 72 -8.856 -10.986 3.274 1.00 0.00 C ATOM 1054 CG2 VAL A 72 -6.678 -12.120 3.455 1.00 0.00 C ATOM 0 H VAL A 72 -5.352 -11.354 1.434 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.954 -12.215 0.986 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.973 -10.082 2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.828 -10.820 4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.394 -10.168 2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.365 -11.927 3.065 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.703 -11.932 4.528 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.126 -13.091 3.246 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.644 -12.116 3.110 1.00 0.00 H new ATOM 1064 N LEU A 73 -7.622 -8.959 0.547 1.00 0.00 N ATOM 1065 CA LEU A 73 -8.213 -7.823 -0.108 1.00 0.00 C ATOM 1066 C LEU A 73 -7.885 -7.817 -1.605 1.00 0.00 C ATOM 1067 O LEU A 73 -8.542 -7.136 -2.380 1.00 0.00 O ATOM 1068 CB LEU A 73 -7.716 -6.543 0.556 1.00 0.00 C ATOM 1069 CG LEU A 73 -8.269 -5.236 0.022 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -9.784 -5.223 0.136 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -7.660 -4.077 0.778 1.00 0.00 C ATOM 0 H LEU A 73 -6.753 -8.758 1.042 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.297 -7.884 -0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.947 -6.600 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.630 -6.514 0.467 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.008 -5.137 -1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.170 -4.280 -0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.199 -6.049 -0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.071 -5.331 1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.060 -3.140 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.903 -4.166 1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.577 -4.089 0.652 1.00 0.00 H new ATOM 1083 N SER A 74 -6.920 -8.638 -1.994 1.00 0.00 N ATOM 1084 CA SER A 74 -6.383 -8.694 -3.348 1.00 0.00 C ATOM 1085 C SER A 74 -5.878 -7.337 -3.826 1.00 0.00 C ATOM 1086 O SER A 74 -6.557 -6.600 -4.551 1.00 0.00 O ATOM 1087 CB SER A 74 -7.307 -9.425 -4.357 1.00 0.00 C ATOM 1088 OG SER A 74 -8.655 -8.950 -4.311 1.00 0.00 O ATOM 0 H SER A 74 -6.476 -9.302 -1.360 1.00 0.00 H new ATOM 0 HA SER A 74 -5.500 -9.332 -3.299 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.914 -9.294 -5.365 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.295 -10.494 -4.146 1.00 0.00 H new ATOM 0 HG SER A 74 -8.673 -8.054 -3.915 1.00 0.00 H new ATOM 1094 N LEU A 75 -4.707 -6.990 -3.338 1.00 0.00 N ATOM 1095 CA LEU A 75 -4.075 -5.736 -3.635 1.00 0.00 C ATOM 1096 C LEU A 75 -3.503 -5.712 -5.029 1.00 0.00 C ATOM 1097 O LEU A 75 -3.505 -6.714 -5.749 1.00 0.00 O ATOM 1098 CB LEU A 75 -2.964 -5.455 -2.626 1.00 0.00 C ATOM 1099 CG LEU A 75 -3.390 -5.351 -1.175 1.00 0.00 C ATOM 1100 CD1 LEU A 75 -2.189 -5.117 -0.288 1.00 0.00 C ATOM 1101 CD2 LEU A 75 -4.405 -4.245 -1.009 1.00 0.00 C ATOM 0 H LEU A 75 -4.163 -7.586 -2.714 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.840 -4.963 -3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.218 -6.245 -2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.473 -4.523 -2.907 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.854 -6.291 -0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.512 -5.045 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.491 -5.948 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.696 -4.190 -0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.704 -4.179 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.965 -3.298 -1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.280 -4.459 -1.623 1.00 0.00 H new ATOM 1113 N ALA A 76 -3.010 -4.576 -5.388 1.00 0.00 N ATOM 1114 CA ALA A 76 -2.405 -4.371 -6.678 1.00 0.00 C ATOM 1115 C ALA A 76 -1.001 -3.889 -6.490 1.00 0.00 C ATOM 1116 O ALA A 76 -0.137 -4.193 -7.275 1.00 0.00 O ATOM 1117 CB ALA A 76 -3.196 -3.390 -7.514 1.00 0.00 C ATOM 0 H ALA A 76 -3.011 -3.747 -4.793 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.399 -5.320 -7.215 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.709 -3.260 -8.481 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.206 -3.772 -7.665 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.244 -2.430 -7.000 1.00 0.00 H new ATOM 1123 N ALA A 77 -0.786 -3.081 -5.467 1.00 0.00 N ATOM 1124 CA ALA A 77 0.540 -2.685 -5.080 1.00 0.00 C ATOM 1125 C ALA A 77 0.625 -2.549 -3.578 1.00 0.00 C ATOM 1126 O ALA A 77 -0.396 -2.388 -2.899 1.00 0.00 O ATOM 1127 CB ALA A 77 0.928 -1.385 -5.740 1.00 0.00 C ATOM 0 H ALA A 77 -1.528 -2.687 -4.889 1.00 0.00 H new ATOM 0 HA ALA A 77 1.236 -3.457 -5.408 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.936 -1.107 -5.431 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.900 -1.504 -6.823 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.229 -0.603 -5.443 1.00 0.00 H new ATOM 1133 N VAL A 78 1.813 -2.642 -3.077 1.00 0.00 N ATOM 1134 CA VAL A 78 2.103 -2.455 -1.672 1.00 0.00 C ATOM 1135 C VAL A 78 3.412 -1.676 -1.578 1.00 0.00 C ATOM 1136 O VAL A 78 4.297 -1.840 -2.428 1.00 0.00 O ATOM 1137 CB VAL A 78 2.229 -3.810 -0.918 1.00 0.00 C ATOM 1138 CG1 VAL A 78 3.321 -4.664 -1.549 1.00 0.00 C ATOM 1139 CG2 VAL A 78 2.522 -3.596 0.566 1.00 0.00 C ATOM 0 H VAL A 78 2.638 -2.855 -3.638 1.00 0.00 H new ATOM 0 HA VAL A 78 1.284 -1.912 -1.201 1.00 0.00 H new ATOM 0 HB VAL A 78 1.274 -4.329 -1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.399 -5.609 -1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.073 -4.859 -2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.273 -4.136 -1.494 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.604 -4.562 1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.459 -3.050 0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.712 -3.023 1.018 1.00 0.00 H new ATOM 1149 N GLN A 79 3.502 -0.771 -0.652 1.00 0.00 N ATOM 1150 CA GLN A 79 4.642 0.025 -0.501 1.00 0.00 C ATOM 1151 C GLN A 79 5.519 -0.462 0.584 1.00 0.00 C ATOM 1152 O GLN A 79 5.083 -0.662 1.721 1.00 0.00 O ATOM 1153 CB GLN A 79 4.270 1.459 -0.292 1.00 0.00 C ATOM 1154 CG GLN A 79 4.050 2.217 -1.563 1.00 0.00 C ATOM 1155 CD GLN A 79 2.833 1.775 -2.322 1.00 0.00 C ATOM 1156 OE1 GLN A 79 1.774 2.320 -2.145 1.00 0.00 O ATOM 1157 NE2 GLN A 79 2.967 0.745 -3.134 1.00 0.00 N ATOM 0 H GLN A 79 2.763 -0.575 0.023 1.00 0.00 H new ATOM 0 HA GLN A 79 5.211 -0.047 -1.428 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.362 1.505 0.309 1.00 0.00 H new ATOM 0 HB3 GLN A 79 5.057 1.949 0.281 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.959 3.278 -1.332 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.927 2.104 -2.201 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.881 0.309 -3.258 1.00 0.00 H new ATOM 0 HE22 GLN A 79 2.157 0.384 -3.638 1.00 0.00 H new ATOM 1166 N LEU A 80 6.751 -0.629 0.238 1.00 0.00 N ATOM 1167 CA LEU A 80 7.723 -1.116 1.135 1.00 0.00 C ATOM 1168 C LEU A 80 8.518 -0.008 1.727 1.00 0.00 C ATOM 1169 O LEU A 80 9.104 0.820 1.005 1.00 0.00 O ATOM 1170 CB LEU A 80 8.651 -2.136 0.456 1.00 0.00 C ATOM 1171 CG LEU A 80 8.312 -3.616 0.657 1.00 0.00 C ATOM 1172 CD1 LEU A 80 8.484 -3.988 2.121 1.00 0.00 C ATOM 1173 CD2 LEU A 80 6.891 -3.929 0.187 1.00 0.00 C ATOM 0 H LEU A 80 7.109 -0.425 -0.695 1.00 0.00 H new ATOM 0 HA LEU A 80 7.191 -1.622 1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 80 8.657 -1.931 -0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.665 -1.967 0.818 1.00 0.00 H new ATOM 0 HG LEU A 80 8.997 -4.211 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.242 -5.042 2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.516 -3.810 2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.817 -3.379 2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.681 -4.987 0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.180 -3.330 0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.798 -3.693 -0.873 1.00 0.00 H new ATOM 1185 N HIS A 81 8.491 0.049 3.023 1.00 0.00 N ATOM 1186 CA HIS A 81 9.365 0.910 3.746 1.00 0.00 C ATOM 1187 C HIS A 81 10.639 0.148 3.896 1.00 0.00 C ATOM 1188 O HIS A 81 10.742 -0.765 4.721 1.00 0.00 O ATOM 1189 CB HIS A 81 8.796 1.305 5.117 1.00 0.00 C ATOM 1190 CG HIS A 81 7.595 2.200 5.047 1.00 0.00 C ATOM 1191 ND1 HIS A 81 6.305 1.746 4.958 1.00 0.00 N ATOM 1192 CD2 HIS A 81 7.509 3.553 5.059 1.00 0.00 C ATOM 1193 CE1 HIS A 81 5.499 2.797 4.923 1.00 0.00 C ATOM 1194 NE2 HIS A 81 6.168 3.920 4.981 1.00 0.00 N ATOM 0 H HIS A 81 7.861 -0.502 3.606 1.00 0.00 H new ATOM 0 HA HIS A 81 9.508 1.851 3.214 1.00 0.00 H new ATOM 0 HB2 HIS A 81 8.530 0.400 5.662 1.00 0.00 H new ATOM 0 HB3 HIS A 81 9.576 1.805 5.691 1.00 0.00 H new ATOM 0 HD1 HIS A 81 6.016 0.768 4.925 1.00 0.00 H new ATOM 0 HD2 HIS A 81 8.344 4.235 5.119 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.423 2.735 4.855 1.00 0.00 H new ATOM 1202 N GLY A 82 11.572 0.459 3.035 1.00 0.00 N ATOM 1203 CA GLY A 82 12.837 -0.240 2.990 1.00 0.00 C ATOM 1204 C GLY A 82 13.669 -0.115 4.244 1.00 0.00 C ATOM 1205 O GLY A 82 14.648 -0.834 4.413 1.00 0.00 O ATOM 0 H GLY A 82 11.480 1.203 2.344 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.647 -1.296 2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 82 13.416 0.137 2.147 1.00 0.00 H new ATOM 1209 N ASN A 83 13.276 0.809 5.099 1.00 0.00 N ATOM 1210 CA ASN A 83 13.876 1.051 6.421 1.00 0.00 C ATOM 1211 C ASN A 83 14.147 -0.245 7.209 1.00 0.00 C ATOM 1212 O ASN A 83 15.130 -0.330 7.961 1.00 0.00 O ATOM 1213 CB ASN A 83 12.922 1.953 7.238 1.00 0.00 C ATOM 1214 CG ASN A 83 13.308 2.090 8.709 1.00 0.00 C ATOM 1215 OD1 ASN A 83 14.096 2.960 9.079 1.00 0.00 O ATOM 1216 ND2 ASN A 83 12.738 1.264 9.560 1.00 0.00 N ATOM 0 H ASN A 83 12.502 1.442 4.896 1.00 0.00 H new ATOM 0 HA ASN A 83 14.841 1.531 6.260 1.00 0.00 H new ATOM 0 HB2 ASN A 83 12.898 2.944 6.785 1.00 0.00 H new ATOM 0 HB3 ASN A 83 11.912 1.549 7.174 1.00 0.00 H new ATOM 0 HD21 ASN A 83 12.945 1.335 10.556 1.00 0.00 H new ATOM 0 HD22 ASN A 83 12.089 0.553 9.223 1.00 0.00 H new ATOM 1223 N GLU A 84 13.296 -1.239 7.023 1.00 0.00 N ATOM 1224 CA GLU A 84 13.369 -2.457 7.801 1.00 0.00 C ATOM 1225 C GLU A 84 14.652 -3.254 7.514 1.00 0.00 C ATOM 1226 O GLU A 84 15.373 -3.630 8.452 1.00 0.00 O ATOM 1227 CB GLU A 84 12.135 -3.320 7.537 1.00 0.00 C ATOM 1228 CG GLU A 84 10.814 -2.564 7.667 1.00 0.00 C ATOM 1229 CD GLU A 84 10.661 -1.853 8.988 1.00 0.00 C ATOM 1230 OE1 GLU A 84 10.317 -2.505 9.997 1.00 0.00 O ATOM 1231 OE2 GLU A 84 10.876 -0.632 9.042 1.00 0.00 O ATOM 0 H GLU A 84 12.543 -1.223 6.335 1.00 0.00 H new ATOM 0 HA GLU A 84 13.396 -2.174 8.853 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.205 -3.740 6.534 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.133 -4.158 8.234 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.739 -1.836 6.860 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.989 -3.265 7.542 1.00 0.00 H new ATOM 1238 N GLU A 85 14.958 -3.449 6.245 1.00 0.00 N ATOM 1239 CA GLU A 85 16.114 -4.192 5.787 1.00 0.00 C ATOM 1240 C GLU A 85 16.055 -4.140 4.261 1.00 0.00 C ATOM 1241 O GLU A 85 14.977 -4.105 3.725 1.00 0.00 O ATOM 1242 CB GLU A 85 16.029 -5.632 6.307 1.00 0.00 C ATOM 1243 CG GLU A 85 17.353 -6.355 6.379 1.00 0.00 C ATOM 1244 CD GLU A 85 17.904 -6.744 5.049 1.00 0.00 C ATOM 1245 OE1 GLU A 85 17.394 -7.683 4.453 1.00 0.00 O ATOM 1246 OE2 GLU A 85 18.841 -6.078 4.552 1.00 0.00 O ATOM 0 H GLU A 85 14.390 -3.082 5.481 1.00 0.00 H new ATOM 0 HA GLU A 85 17.055 -3.778 6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.583 -5.619 7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 85 15.356 -6.198 5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.076 -5.718 6.888 1.00 0.00 H new ATOM 0 HG3 GLU A 85 17.233 -7.251 6.988 1.00 0.00 H new ATOM 1253 N GLN A 86 17.194 -4.174 3.592 1.00 0.00 N ATOM 1254 CA GLN A 86 17.306 -3.949 2.166 1.00 0.00 C ATOM 1255 C GLN A 86 16.883 -5.163 1.351 1.00 0.00 C ATOM 1256 O GLN A 86 16.135 -5.067 0.377 1.00 0.00 O ATOM 1257 CB GLN A 86 18.760 -3.638 1.864 1.00 0.00 C ATOM 1258 CG GLN A 86 19.296 -2.372 2.516 1.00 0.00 C ATOM 1259 CD GLN A 86 20.776 -2.201 2.285 1.00 0.00 C ATOM 1260 OE1 GLN A 86 21.201 -1.595 1.300 1.00 0.00 O ATOM 1261 NE2 GLN A 86 21.572 -2.733 3.172 1.00 0.00 N ATOM 0 H GLN A 86 18.090 -4.364 4.040 1.00 0.00 H new ATOM 0 HA GLN A 86 16.644 -3.128 1.891 1.00 0.00 H new ATOM 0 HB2 GLN A 86 19.371 -4.481 2.187 1.00 0.00 H new ATOM 0 HB3 GLN A 86 18.881 -3.552 0.784 1.00 0.00 H new ATOM 0 HG2 GLN A 86 18.765 -1.507 2.119 1.00 0.00 H new ATOM 0 HG3 GLN A 86 19.098 -2.404 3.587 1.00 0.00 H new ATOM 0 HE21 GLN A 86 21.183 -3.227 3.975 1.00 0.00 H new ATOM 0 HE22 GLN A 86 22.583 -2.654 3.062 1.00 0.00 H new ATOM 1270 N LEU A 87 17.343 -6.284 1.778 1.00 0.00 N ATOM 1271 CA LEU A 87 17.166 -7.544 1.081 1.00 0.00 C ATOM 1272 C LEU A 87 15.798 -8.098 1.372 1.00 0.00 C ATOM 1273 O LEU A 87 15.261 -8.929 0.632 1.00 0.00 O ATOM 1274 CB LEU A 87 18.237 -8.506 1.536 1.00 0.00 C ATOM 1275 CG LEU A 87 19.654 -7.987 1.352 1.00 0.00 C ATOM 1276 CD1 LEU A 87 20.639 -8.798 2.162 1.00 0.00 C ATOM 1277 CD2 LEU A 87 20.046 -7.982 -0.115 1.00 0.00 C ATOM 0 H LEU A 87 17.871 -6.371 2.646 1.00 0.00 H new ATOM 0 HA LEU A 87 17.252 -7.393 0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.080 -8.737 2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 87 18.129 -9.441 0.985 1.00 0.00 H new ATOM 0 HG LEU A 87 19.680 -6.960 1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 87 21.645 -8.405 2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 87 20.379 -8.736 3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 87 20.605 -9.839 1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 87 21.064 -7.606 -0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 87 19.992 -8.997 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 87 19.364 -7.339 -0.672 1.00 0.00 H new ATOM 1289 N TYR A 88 15.234 -7.618 2.455 1.00 0.00 N ATOM 1290 CA TYR A 88 13.901 -7.960 2.855 1.00 0.00 C ATOM 1291 C TYR A 88 12.894 -7.592 1.768 1.00 0.00 C ATOM 1292 O TYR A 88 11.970 -8.345 1.511 1.00 0.00 O ATOM 1293 CB TYR A 88 13.559 -7.293 4.184 1.00 0.00 C ATOM 1294 CG TYR A 88 12.124 -7.443 4.609 1.00 0.00 C ATOM 1295 CD1 TYR A 88 11.567 -8.694 4.850 1.00 0.00 C ATOM 1296 CD2 TYR A 88 11.326 -6.327 4.764 1.00 0.00 C ATOM 1297 CE1 TYR A 88 10.249 -8.825 5.232 1.00 0.00 C ATOM 1298 CE2 TYR A 88 10.008 -6.445 5.154 1.00 0.00 C ATOM 1299 CZ TYR A 88 9.471 -7.700 5.385 1.00 0.00 C ATOM 1300 OH TYR A 88 8.157 -7.828 5.780 1.00 0.00 O ATOM 0 H TYR A 88 15.701 -6.969 3.089 1.00 0.00 H new ATOM 0 HA TYR A 88 13.846 -9.039 2.996 1.00 0.00 H new ATOM 0 HB2 TYR A 88 14.200 -7.711 4.961 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.794 -6.231 4.114 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.177 -9.578 4.736 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.740 -5.347 4.577 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.830 -9.804 5.410 1.00 0.00 H new ATOM 0 HE2 TYR A 88 9.398 -5.563 5.279 1.00 0.00 H new ATOM 0 HH TYR A 88 8.123 -8.112 6.717 1.00 0.00 H new ATOM 1310 N ILE A 89 13.127 -6.481 1.072 1.00 0.00 N ATOM 1311 CA ILE A 89 12.224 -6.043 -0.001 1.00 0.00 C ATOM 1312 C ILE A 89 12.184 -7.105 -1.081 1.00 0.00 C ATOM 1313 O ILE A 89 11.123 -7.434 -1.629 1.00 0.00 O ATOM 1314 CB ILE A 89 12.648 -4.675 -0.648 1.00 0.00 C ATOM 1315 CG1 ILE A 89 12.474 -3.496 0.290 1.00 0.00 C ATOM 1316 CG2 ILE A 89 11.901 -4.386 -1.938 1.00 0.00 C ATOM 1317 CD1 ILE A 89 13.557 -3.375 1.278 1.00 0.00 C ATOM 0 H ILE A 89 13.927 -5.868 1.227 1.00 0.00 H new ATOM 0 HA ILE A 89 11.243 -5.896 0.450 1.00 0.00 H new ATOM 0 HB ILE A 89 13.709 -4.793 -0.867 1.00 0.00 H new ATOM 0 HG12 ILE A 89 12.422 -2.579 -0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.523 -3.594 0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 89 12.231 -3.430 -2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 89 12.104 -5.176 -2.661 1.00 0.00 H new ATOM 0 HG23 ILE A 89 10.830 -4.344 -1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 89 13.371 -2.512 1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 89 13.595 -4.277 1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 89 14.508 -3.246 0.761 1.00 0.00 H new ATOM 1329 N ASP A 90 13.331 -7.693 -1.318 1.00 0.00 N ATOM 1330 CA ASP A 90 13.479 -8.714 -2.338 1.00 0.00 C ATOM 1331 C ASP A 90 12.766 -10.003 -1.933 1.00 0.00 C ATOM 1332 O ASP A 90 12.352 -10.799 -2.774 1.00 0.00 O ATOM 1333 CB ASP A 90 14.940 -8.973 -2.588 1.00 0.00 C ATOM 1334 CG ASP A 90 15.145 -9.765 -3.857 1.00 0.00 C ATOM 1335 OD1 ASP A 90 15.125 -9.159 -4.952 1.00 0.00 O ATOM 1336 OD2 ASP A 90 15.299 -10.984 -3.796 1.00 0.00 O ATOM 0 H ASP A 90 14.191 -7.481 -0.812 1.00 0.00 H new ATOM 0 HA ASP A 90 13.017 -8.356 -3.258 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.473 -8.025 -2.658 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.365 -9.517 -1.744 1.00 0.00 H new ATOM 1341 N THR A 91 12.549 -10.121 -0.654 1.00 0.00 N ATOM 1342 CA THR A 91 11.925 -11.256 -0.039 1.00 0.00 C ATOM 1343 C THR A 91 10.415 -11.152 -0.248 1.00 0.00 C ATOM 1344 O THR A 91 9.744 -12.135 -0.557 1.00 0.00 O ATOM 1345 CB THR A 91 12.280 -11.264 1.467 1.00 0.00 C ATOM 1346 OG1 THR A 91 13.712 -11.387 1.640 1.00 0.00 O ATOM 1347 CG2 THR A 91 11.568 -12.360 2.206 1.00 0.00 C ATOM 0 H THR A 91 12.813 -9.398 0.016 1.00 0.00 H new ATOM 0 HA THR A 91 12.278 -12.187 -0.483 1.00 0.00 H new ATOM 0 HB THR A 91 11.946 -10.317 1.890 1.00 0.00 H new ATOM 0 HG1 THR A 91 14.153 -10.580 1.302 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.846 -12.329 3.259 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.491 -12.223 2.111 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.849 -13.325 1.785 1.00 0.00 H new ATOM 1355 N LEU A 92 9.895 -9.940 -0.074 1.00 0.00 N ATOM 1356 CA LEU A 92 8.495 -9.638 -0.355 1.00 0.00 C ATOM 1357 C LEU A 92 8.051 -10.148 -1.712 1.00 0.00 C ATOM 1358 O LEU A 92 7.041 -10.820 -1.794 1.00 0.00 O ATOM 1359 CB LEU A 92 8.154 -8.142 -0.236 1.00 0.00 C ATOM 1360 CG LEU A 92 7.920 -7.562 1.158 1.00 0.00 C ATOM 1361 CD1 LEU A 92 6.882 -8.337 1.876 1.00 0.00 C ATOM 1362 CD2 LEU A 92 9.162 -7.525 1.964 1.00 0.00 C ATOM 0 H LEU A 92 10.431 -9.141 0.265 1.00 0.00 H new ATOM 0 HA LEU A 92 7.943 -10.170 0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.964 -7.578 -0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.258 -7.957 -0.828 1.00 0.00 H new ATOM 0 HG LEU A 92 7.580 -6.535 1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.729 -7.909 2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.948 -8.299 1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.205 -9.374 1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.946 -7.105 2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.551 -8.537 2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.904 -6.906 1.460 1.00 0.00 H new ATOM 1374 N ARG A 93 8.834 -9.854 -2.768 1.00 0.00 N ATOM 1375 CA ARG A 93 8.492 -10.338 -4.160 1.00 0.00 C ATOM 1376 C ARG A 93 8.245 -11.811 -4.205 1.00 0.00 C ATOM 1377 O ARG A 93 7.417 -12.293 -4.968 1.00 0.00 O ATOM 1378 CB ARG A 93 9.573 -10.054 -5.221 1.00 0.00 C ATOM 1379 CG ARG A 93 9.666 -8.639 -5.667 1.00 0.00 C ATOM 1380 CD ARG A 93 10.410 -7.799 -4.693 1.00 0.00 C ATOM 1381 NE ARG A 93 11.849 -7.826 -4.916 1.00 0.00 N ATOM 1382 CZ ARG A 93 12.606 -6.728 -4.984 1.00 0.00 C ATOM 1383 NH1 ARG A 93 12.038 -5.523 -5.027 1.00 0.00 N ATOM 1384 NH2 ARG A 93 13.921 -6.825 -5.062 1.00 0.00 N ATOM 0 H ARG A 93 9.689 -9.301 -2.710 1.00 0.00 H new ATOM 0 HA ARG A 93 7.593 -9.770 -4.398 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.541 -10.356 -4.821 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.378 -10.681 -6.091 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.162 -8.596 -6.637 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.663 -8.235 -5.803 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.055 -6.771 -4.760 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.196 -8.145 -3.682 1.00 0.00 H new ATOM 0 HE ARG A 93 12.303 -8.733 -5.026 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.022 -5.437 -5.008 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.620 -4.687 -5.079 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.365 -7.743 -5.071 1.00 0.00 H new ATOM 0 HH22 ARG A 93 14.492 -5.982 -5.114 1.00 0.00 H new ATOM 1398 N GLU A 94 8.947 -12.502 -3.377 1.00 0.00 N ATOM 1399 CA GLU A 94 8.915 -13.950 -3.379 1.00 0.00 C ATOM 1400 C GLU A 94 7.614 -14.467 -2.805 1.00 0.00 C ATOM 1401 O GLU A 94 7.004 -15.391 -3.348 1.00 0.00 O ATOM 1402 CB GLU A 94 10.087 -14.505 -2.595 1.00 0.00 C ATOM 1403 CG GLU A 94 11.415 -13.960 -3.050 1.00 0.00 C ATOM 1404 CD GLU A 94 12.573 -14.585 -2.319 1.00 0.00 C ATOM 1405 OE1 GLU A 94 12.932 -14.114 -1.226 1.00 0.00 O ATOM 1406 OE2 GLU A 94 13.136 -15.576 -2.820 1.00 0.00 O ATOM 0 H GLU A 94 9.564 -12.095 -2.674 1.00 0.00 H new ATOM 0 HA GLU A 94 8.989 -14.286 -4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.950 -14.276 -1.538 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.096 -15.591 -2.687 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.528 -14.133 -4.120 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.433 -12.881 -2.898 1.00 0.00 H new ATOM 1413 N ALA A 95 7.179 -13.859 -1.735 1.00 0.00 N ATOM 1414 CA ALA A 95 5.970 -14.315 -1.064 1.00 0.00 C ATOM 1415 C ALA A 95 4.701 -13.674 -1.612 1.00 0.00 C ATOM 1416 O ALA A 95 3.600 -14.208 -1.449 1.00 0.00 O ATOM 1417 CB ALA A 95 6.081 -14.173 0.438 1.00 0.00 C ATOM 0 H ALA A 95 7.632 -13.053 -1.304 1.00 0.00 H new ATOM 0 HA ALA A 95 5.879 -15.378 -1.285 1.00 0.00 H new ATOM 0 HB1 ALA A 95 5.161 -14.523 0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 95 6.920 -14.768 0.799 1.00 0.00 H new ATOM 0 HB3 ALA A 95 6.242 -13.126 0.694 1.00 0.00 H new ATOM 1423 N LEU A 96 4.863 -12.576 -2.266 1.00 0.00 N ATOM 1424 CA LEU A 96 3.752 -11.843 -2.877 1.00 0.00 C ATOM 1425 C LEU A 96 3.422 -12.409 -4.228 1.00 0.00 C ATOM 1426 O LEU A 96 4.319 -12.751 -5.005 1.00 0.00 O ATOM 1427 CB LEU A 96 4.062 -10.345 -2.993 1.00 0.00 C ATOM 1428 CG LEU A 96 4.153 -9.569 -1.673 1.00 0.00 C ATOM 1429 CD1 LEU A 96 4.568 -8.144 -1.940 1.00 0.00 C ATOM 1430 CD2 LEU A 96 2.819 -9.588 -0.945 1.00 0.00 C ATOM 0 H LEU A 96 5.773 -12.137 -2.407 1.00 0.00 H new ATOM 0 HA LEU A 96 2.886 -11.959 -2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.007 -10.231 -3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.292 -9.882 -3.610 1.00 0.00 H new ATOM 0 HG LEU A 96 4.900 -10.051 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.630 -7.600 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.542 -8.134 -2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.832 -7.666 -2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.906 -9.032 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.056 -9.127 -1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.537 -10.618 -0.729 1.00 0.00 H new ATOM 1442 N PRO A 97 2.133 -12.587 -4.513 1.00 0.00 N ATOM 1443 CA PRO A 97 1.694 -13.053 -5.805 1.00 0.00 C ATOM 1444 C PRO A 97 1.845 -11.958 -6.848 1.00 0.00 C ATOM 1445 O PRO A 97 1.958 -10.774 -6.512 1.00 0.00 O ATOM 1446 CB PRO A 97 0.218 -13.389 -5.602 1.00 0.00 C ATOM 1447 CG PRO A 97 -0.211 -12.551 -4.453 1.00 0.00 C ATOM 1448 CD PRO A 97 0.999 -12.359 -3.587 1.00 0.00 C ATOM 0 HA PRO A 97 2.275 -13.904 -6.159 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.365 -13.163 -6.495 1.00 0.00 H new ATOM 0 HB3 PRO A 97 0.080 -14.449 -5.391 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -0.598 -11.592 -4.796 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -1.012 -13.037 -3.897 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.029 -11.358 -3.156 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.013 -13.064 -2.756 1.00 0.00 H new ATOM 1456 N ALA A 98 1.768 -12.351 -8.095 1.00 0.00 N ATOM 1457 CA ALA A 98 1.951 -11.466 -9.245 1.00 0.00 C ATOM 1458 C ALA A 98 0.896 -10.369 -9.299 1.00 0.00 C ATOM 1459 O ALA A 98 1.055 -9.376 -10.003 1.00 0.00 O ATOM 1460 CB ALA A 98 1.882 -12.285 -10.510 1.00 0.00 C ATOM 0 H ALA A 98 1.572 -13.317 -8.357 1.00 0.00 H new ATOM 0 HA ALA A 98 2.924 -10.984 -9.146 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.017 -11.633 -11.373 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.668 -13.040 -10.498 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.910 -12.775 -10.574 1.00 0.00 H new ATOM 1466 N HIS A 99 -0.169 -10.555 -8.547 1.00 0.00 N ATOM 1467 CA HIS A 99 -1.274 -9.617 -8.529 1.00 0.00 C ATOM 1468 C HIS A 99 -0.837 -8.343 -7.819 1.00 0.00 C ATOM 1469 O HIS A 99 -1.296 -7.244 -8.152 1.00 0.00 O ATOM 1470 CB HIS A 99 -2.489 -10.185 -7.749 1.00 0.00 C ATOM 1471 CG HIS A 99 -2.704 -11.675 -7.839 1.00 0.00 C ATOM 1472 ND1 HIS A 99 -2.792 -12.577 -6.845 1.00 0.00 N flip ATOM 1473 CD2 HIS A 99 -2.783 -12.397 -9.005 1.00 0.00 C flip ATOM 1474 CE1 HIS A 99 -2.919 -13.845 -7.374 1.00 0.00 C flip ATOM 1475 NE2 HIS A 99 -2.905 -13.689 -8.673 1.00 0.00 N flip ATOM 0 H HIS A 99 -0.294 -11.359 -7.932 1.00 0.00 H new ATOM 0 HA HIS A 99 -1.562 -9.426 -9.563 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -2.376 -9.919 -6.698 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.389 -9.687 -8.109 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -2.752 -11.996 -10.007 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -3.011 -14.773 -6.829 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -2.978 -14.452 -9.346 1.00 0.00 H new ATOM 1483 N VAL A 100 0.087 -8.481 -6.864 1.00 0.00 N ATOM 1484 CA VAL A 100 0.490 -7.400 -6.081 1.00 0.00 C ATOM 1485 C VAL A 100 1.886 -6.948 -6.471 1.00 0.00 C ATOM 1486 O VAL A 100 2.813 -7.750 -6.576 1.00 0.00 O ATOM 1487 CB VAL A 100 0.455 -7.807 -4.610 1.00 0.00 C ATOM 1488 CG1 VAL A 100 0.871 -6.680 -3.733 1.00 0.00 C ATOM 1489 CG2 VAL A 100 -0.921 -8.320 -4.234 1.00 0.00 C ATOM 0 H VAL A 100 0.553 -9.361 -6.643 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.192 -6.565 -6.244 1.00 0.00 H new ATOM 0 HB VAL A 100 1.169 -8.617 -4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.837 -6.998 -2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.887 -6.377 -3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.195 -5.838 -3.878 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.928 -8.606 -3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.660 -7.536 -4.402 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.166 -9.187 -4.847 1.00 0.00 H new ATOM 1499 N ALA A 101 2.001 -5.683 -6.696 1.00 0.00 N ATOM 1500 CA ALA A 101 3.237 -5.051 -7.052 1.00 0.00 C ATOM 1501 C ALA A 101 3.835 -4.403 -5.827 1.00 0.00 C ATOM 1502 O ALA A 101 3.180 -4.294 -4.800 1.00 0.00 O ATOM 1503 CB ALA A 101 2.994 -4.008 -8.136 1.00 0.00 C ATOM 0 H ALA A 101 1.215 -5.035 -6.637 1.00 0.00 H new ATOM 0 HA ALA A 101 3.931 -5.797 -7.439 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.938 -3.532 -8.401 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.571 -4.491 -9.017 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.299 -3.254 -7.766 1.00 0.00 H new ATOM 1509 N ILE A 102 5.031 -3.950 -5.937 1.00 0.00 N ATOM 1510 CA ILE A 102 5.704 -3.332 -4.847 1.00 0.00 C ATOM 1511 C ILE A 102 6.185 -1.980 -5.266 1.00 0.00 C ATOM 1512 O ILE A 102 6.831 -1.836 -6.306 1.00 0.00 O ATOM 1513 CB ILE A 102 6.921 -4.151 -4.348 1.00 0.00 C ATOM 1514 CG1 ILE A 102 6.489 -5.473 -3.678 1.00 0.00 C ATOM 1515 CG2 ILE A 102 7.766 -3.288 -3.420 1.00 0.00 C ATOM 1516 CD1 ILE A 102 7.652 -6.353 -3.249 1.00 0.00 C ATOM 0 H ILE A 102 5.579 -3.997 -6.796 1.00 0.00 H new ATOM 0 HA ILE A 102 4.988 -3.266 -4.028 1.00 0.00 H new ATOM 0 HB ILE A 102 7.529 -4.435 -5.207 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.878 -5.244 -2.805 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.859 -6.031 -4.371 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.623 -3.863 -3.068 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.116 -2.408 -3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.164 -2.974 -2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 102 7.269 -7.263 -2.787 1.00 0.00 H new ATOM 0 HD12 ILE A 102 8.252 -6.614 -4.121 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.270 -5.814 -2.531 1.00 0.00 H new ATOM 1528 N TRP A 103 5.891 -0.995 -4.485 1.00 0.00 N ATOM 1529 CA TRP A 103 6.395 0.315 -4.779 1.00 0.00 C ATOM 1530 C TRP A 103 7.264 0.765 -3.636 1.00 0.00 C ATOM 1531 O TRP A 103 7.131 0.265 -2.509 1.00 0.00 O ATOM 1532 CB TRP A 103 5.299 1.347 -5.033 1.00 0.00 C ATOM 1533 CG TRP A 103 4.289 1.005 -6.096 1.00 0.00 C ATOM 1534 CD1 TRP A 103 4.386 0.083 -7.093 1.00 0.00 C ATOM 1535 CD2 TRP A 103 3.025 1.621 -6.251 1.00 0.00 C ATOM 1536 NE1 TRP A 103 3.252 0.095 -7.851 1.00 0.00 N ATOM 1537 CE2 TRP A 103 2.396 1.036 -7.351 1.00 0.00 C ATOM 1538 CE3 TRP A 103 2.372 2.613 -5.551 1.00 0.00 C ATOM 1539 CZ2 TRP A 103 1.126 1.421 -7.767 1.00 0.00 C ATOM 1540 CZ3 TRP A 103 1.124 3.006 -5.955 1.00 0.00 C ATOM 1541 CH2 TRP A 103 0.509 2.410 -7.053 1.00 0.00 C ATOM 0 H TRP A 103 5.313 -1.064 -3.648 1.00 0.00 H new ATOM 0 HA TRP A 103 6.966 0.244 -5.705 1.00 0.00 H new ATOM 0 HB2 TRP A 103 4.766 1.516 -4.097 1.00 0.00 H new ATOM 0 HB3 TRP A 103 5.774 2.290 -5.304 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.236 -0.563 -7.259 1.00 0.00 H new ATOM 0 HE1 TRP A 103 3.072 -0.501 -8.659 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.839 3.075 -4.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 0.648 0.958 -8.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 0.610 3.788 -5.415 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -0.478 2.736 -7.347 1.00 0.00 H new ATOM 1552 N LYS A 104 8.132 1.688 -3.901 1.00 0.00 N ATOM 1553 CA LYS A 104 9.011 2.177 -2.904 1.00 0.00 C ATOM 1554 C LYS A 104 8.482 3.473 -2.414 1.00 0.00 C ATOM 1555 O LYS A 104 8.245 4.400 -3.208 1.00 0.00 O ATOM 1556 CB LYS A 104 10.418 2.410 -3.445 1.00 0.00 C ATOM 1557 CG LYS A 104 11.453 2.641 -2.344 1.00 0.00 C ATOM 1558 CD LYS A 104 12.729 3.263 -2.881 1.00 0.00 C ATOM 1559 CE LYS A 104 12.573 4.768 -3.110 1.00 0.00 C ATOM 1560 NZ LYS A 104 12.398 5.502 -1.829 1.00 0.00 N ATOM 0 H LYS A 104 8.247 2.120 -4.818 1.00 0.00 H new ATOM 0 HA LYS A 104 9.071 1.433 -2.109 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.718 1.549 -4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.406 3.273 -4.111 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.028 3.290 -1.578 1.00 0.00 H new ATOM 0 HG3 LYS A 104 11.688 1.692 -1.863 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.544 3.084 -2.180 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.003 2.779 -3.818 1.00 0.00 H new ATOM 0 HE2 LYS A 104 13.450 5.150 -3.632 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.714 4.951 -3.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.566 6.517 -1.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.429 5.361 -1.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 13.076 5.143 -1.127 1.00 0.00 H new ATOM 1574 N ALA A 105 8.268 3.534 -1.150 1.00 0.00 N ATOM 1575 CA ALA A 105 7.874 4.750 -0.515 1.00 0.00 C ATOM 1576 C ALA A 105 9.058 5.705 -0.552 1.00 0.00 C ATOM 1577 O ALA A 105 10.155 5.379 -0.083 1.00 0.00 O ATOM 1578 CB ALA A 105 7.429 4.489 0.920 1.00 0.00 C ATOM 0 H ALA A 105 8.360 2.739 -0.518 1.00 0.00 H new ATOM 0 HA ALA A 105 7.026 5.190 -1.040 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.133 5.429 1.386 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.583 3.802 0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 105 8.253 4.049 1.482 1.00 0.00 H new ATOM 1584 N LEU A 106 8.885 6.789 -1.223 1.00 0.00 N ATOM 1585 CA LEU A 106 9.880 7.803 -1.301 1.00 0.00 C ATOM 1586 C LEU A 106 9.688 8.778 -0.156 1.00 0.00 C ATOM 1587 O LEU A 106 8.830 9.664 -0.217 1.00 0.00 O ATOM 1588 CB LEU A 106 9.792 8.520 -2.658 1.00 0.00 C ATOM 1589 CG LEU A 106 10.834 9.616 -2.937 1.00 0.00 C ATOM 1590 CD1 LEU A 106 12.234 9.029 -3.048 1.00 0.00 C ATOM 1591 CD2 LEU A 106 10.474 10.389 -4.195 1.00 0.00 C ATOM 0 H LEU A 106 8.033 7.001 -1.743 1.00 0.00 H new ATOM 0 HA LEU A 106 10.871 7.358 -1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.872 7.769 -3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.801 8.966 -2.742 1.00 0.00 H new ATOM 0 HG LEU A 106 10.828 10.307 -2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.949 9.828 -3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.495 8.531 -2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.262 8.307 -3.864 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.223 11.160 -4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.443 9.707 -5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.497 10.855 -4.068 1.00 0.00 H new ATOM 1748 N PHE A 117 15.770 0.638 -3.296 1.00 0.00 N ATOM 1749 CA PHE A 117 15.500 -0.752 -3.247 1.00 0.00 C ATOM 1750 C PHE A 117 15.087 -1.170 -4.616 1.00 0.00 C ATOM 1751 O PHE A 117 14.066 -0.728 -5.137 1.00 0.00 O ATOM 1752 CB PHE A 117 14.442 -1.038 -2.182 1.00 0.00 C ATOM 1753 CG PHE A 117 14.885 -0.498 -0.856 1.00 0.00 C ATOM 1754 CD1 PHE A 117 15.764 -1.210 -0.062 1.00 0.00 C ATOM 1755 CD2 PHE A 117 14.471 0.755 -0.433 1.00 0.00 C ATOM 1756 CE1 PHE A 117 16.218 -0.676 1.128 1.00 0.00 C ATOM 1757 CE2 PHE A 117 14.915 1.284 0.755 1.00 0.00 C ATOM 1758 CZ PHE A 117 15.794 0.570 1.536 1.00 0.00 C ATOM 0 HA PHE A 117 16.378 -1.330 -2.958 1.00 0.00 H new ATOM 0 HB2 PHE A 117 13.494 -0.584 -2.470 1.00 0.00 H new ATOM 0 HB3 PHE A 117 14.272 -2.112 -2.107 1.00 0.00 H new ATOM 0 HD1 PHE A 117 16.098 -2.189 -0.374 1.00 0.00 H new ATOM 0 HD2 PHE A 117 13.789 1.325 -1.047 1.00 0.00 H new ATOM 0 HE1 PHE A 117 16.908 -1.237 1.741 1.00 0.00 H new ATOM 0 HE2 PHE A 117 14.575 2.258 1.075 1.00 0.00 H new ATOM 0 HZ PHE A 117 16.151 0.985 2.467 1.00 0.00 H new ATOM 1768 N GLN A 118 15.928 -1.940 -5.209 1.00 0.00 N ATOM 1769 CA GLN A 118 15.788 -2.343 -6.586 1.00 0.00 C ATOM 1770 C GLN A 118 14.679 -3.367 -6.788 1.00 0.00 C ATOM 1771 O GLN A 118 14.179 -3.972 -5.821 1.00 0.00 O ATOM 1772 CB GLN A 118 17.119 -2.860 -7.137 1.00 0.00 C ATOM 1773 CG GLN A 118 17.628 -4.131 -6.487 1.00 0.00 C ATOM 1774 CD GLN A 118 18.987 -4.523 -7.017 1.00 0.00 C ATOM 1775 OE1 GLN A 118 20.010 -4.126 -6.479 1.00 0.00 O ATOM 1776 NE2 GLN A 118 19.019 -5.301 -8.065 1.00 0.00 N ATOM 0 H GLN A 118 16.755 -2.323 -4.751 1.00 0.00 H new ATOM 0 HA GLN A 118 15.498 -1.455 -7.148 1.00 0.00 H new ATOM 0 HB2 GLN A 118 17.009 -3.035 -8.207 1.00 0.00 H new ATOM 0 HB3 GLN A 118 17.872 -2.081 -7.017 1.00 0.00 H new ATOM 0 HG2 GLN A 118 17.685 -3.990 -5.408 1.00 0.00 H new ATOM 0 HG3 GLN A 118 16.920 -4.940 -6.666 1.00 0.00 H new ATOM 0 HE21 GLN A 118 18.148 -5.617 -8.493 1.00 0.00 H new ATOM 0 HE22 GLN A 118 19.915 -5.593 -8.456 1.00 0.00 H new ATOM 1785 N HIS A 119 14.293 -3.524 -8.053 1.00 0.00 N ATOM 1786 CA HIS A 119 13.247 -4.460 -8.528 1.00 0.00 C ATOM 1787 C HIS A 119 11.835 -4.006 -8.125 1.00 0.00 C ATOM 1788 O HIS A 119 10.860 -4.733 -8.321 1.00 0.00 O ATOM 1789 CB HIS A 119 13.480 -5.934 -8.096 1.00 0.00 C ATOM 1790 CG HIS A 119 14.776 -6.564 -8.539 1.00 0.00 C ATOM 1791 ND1 HIS A 119 15.088 -7.896 -8.350 1.00 0.00 N ATOM 1792 CD2 HIS A 119 15.863 -6.013 -9.118 1.00 0.00 C ATOM 1793 CE1 HIS A 119 16.323 -8.097 -8.801 1.00 0.00 C ATOM 1794 NE2 HIS A 119 16.841 -6.980 -9.281 1.00 0.00 N ATOM 0 H HIS A 119 14.710 -2.987 -8.813 1.00 0.00 H new ATOM 0 HA HIS A 119 13.326 -4.433 -9.615 1.00 0.00 H new ATOM 0 HB2 HIS A 119 13.430 -5.983 -7.008 1.00 0.00 H new ATOM 0 HB3 HIS A 119 12.658 -6.537 -8.481 1.00 0.00 H new ATOM 0 HD1 HIS A 119 14.478 -8.602 -7.937 1.00 0.00 H new ATOM 0 HD2 HIS A 119 15.956 -4.977 -9.410 1.00 0.00 H new ATOM 0 HE1 HIS A 119 16.835 -9.048 -8.778 1.00 0.00 H new ATOM 1802 N VAL A 120 11.721 -2.806 -7.559 1.00 0.00 N ATOM 1803 CA VAL A 120 10.410 -2.260 -7.233 1.00 0.00 C ATOM 1804 C VAL A 120 9.718 -1.853 -8.508 1.00 0.00 C ATOM 1805 O VAL A 120 10.374 -1.523 -9.508 1.00 0.00 O ATOM 1806 CB VAL A 120 10.450 -1.071 -6.226 1.00 0.00 C ATOM 1807 CG1 VAL A 120 10.975 -1.531 -4.877 1.00 0.00 C ATOM 1808 CG2 VAL A 120 11.279 0.095 -6.760 1.00 0.00 C ATOM 0 H VAL A 120 12.508 -2.203 -7.321 1.00 0.00 H new ATOM 0 HA VAL A 120 9.852 -3.047 -6.726 1.00 0.00 H new ATOM 0 HB VAL A 120 9.428 -0.713 -6.099 1.00 0.00 H new ATOM 0 HG11 VAL A 120 10.996 -0.687 -4.188 1.00 0.00 H new ATOM 0 HG12 VAL A 120 10.323 -2.309 -4.479 1.00 0.00 H new ATOM 0 HG13 VAL A 120 11.983 -1.928 -4.995 1.00 0.00 H new ATOM 0 HG21 VAL A 120 11.282 0.904 -6.029 1.00 0.00 H new ATOM 0 HG22 VAL A 120 12.302 -0.237 -6.938 1.00 0.00 H new ATOM 0 HG23 VAL A 120 10.845 0.452 -7.694 1.00 0.00 H new ATOM 1818 N ASP A 121 8.434 -1.883 -8.493 1.00 0.00 N ATOM 1819 CA ASP A 121 7.663 -1.630 -9.697 1.00 0.00 C ATOM 1820 C ASP A 121 7.521 -0.149 -9.958 1.00 0.00 C ATOM 1821 O ASP A 121 7.675 0.316 -11.096 1.00 0.00 O ATOM 1822 CB ASP A 121 6.293 -2.301 -9.615 1.00 0.00 C ATOM 1823 CG ASP A 121 6.390 -3.804 -9.479 1.00 0.00 C ATOM 1824 OD1 ASP A 121 6.573 -4.506 -10.504 1.00 0.00 O ATOM 1825 OD2 ASP A 121 6.301 -4.322 -8.351 1.00 0.00 O ATOM 0 H ASP A 121 7.875 -2.080 -7.663 1.00 0.00 H new ATOM 0 HA ASP A 121 8.206 -2.064 -10.536 1.00 0.00 H new ATOM 0 HB2 ASP A 121 5.745 -1.897 -8.764 1.00 0.00 H new ATOM 0 HB3 ASP A 121 5.719 -2.057 -10.509 1.00 0.00 H new ATOM 1830 N LYS A 122 7.280 0.593 -8.909 1.00 0.00 N ATOM 1831 CA LYS A 122 7.094 2.041 -8.976 1.00 0.00 C ATOM 1832 C LYS A 122 7.654 2.684 -7.729 1.00 0.00 C ATOM 1833 O LYS A 122 7.939 1.996 -6.744 1.00 0.00 O ATOM 1834 CB LYS A 122 5.599 2.451 -9.114 1.00 0.00 C ATOM 1835 CG LYS A 122 4.937 2.165 -10.450 1.00 0.00 C ATOM 1836 CD LYS A 122 3.497 2.667 -10.434 1.00 0.00 C ATOM 1837 CE LYS A 122 2.794 2.436 -11.753 1.00 0.00 C ATOM 1838 NZ LYS A 122 1.377 2.866 -11.706 1.00 0.00 N ATOM 0 H LYS A 122 7.204 0.215 -7.965 1.00 0.00 H new ATOM 0 HA LYS A 122 7.620 2.384 -9.867 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.032 1.939 -8.336 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.519 3.520 -8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 122 5.492 2.651 -11.252 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.956 1.094 -10.653 1.00 0.00 H new ATOM 0 HD2 LYS A 122 2.948 2.163 -9.639 1.00 0.00 H new ATOM 0 HD3 LYS A 122 3.488 3.732 -10.202 1.00 0.00 H new ATOM 0 HE2 LYS A 122 3.313 2.981 -12.541 1.00 0.00 H new ATOM 0 HE3 LYS A 122 2.844 1.378 -12.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 0.930 2.691 -12.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 0.875 2.328 -10.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 1.329 3.881 -11.485 1.00 0.00 H new ATOM 1852 N TYR A 123 7.873 3.958 -7.782 1.00 0.00 N ATOM 1853 CA TYR A 123 8.221 4.708 -6.616 1.00 0.00 C ATOM 1854 C TYR A 123 7.100 5.703 -6.401 1.00 0.00 C ATOM 1855 O TYR A 123 6.557 6.246 -7.370 1.00 0.00 O ATOM 1856 CB TYR A 123 9.610 5.385 -6.725 1.00 0.00 C ATOM 1857 CG TYR A 123 9.660 6.603 -7.584 1.00 0.00 C ATOM 1858 CD1 TYR A 123 9.809 6.517 -8.951 1.00 0.00 C ATOM 1859 CD2 TYR A 123 9.550 7.850 -7.010 1.00 0.00 C ATOM 1860 CE1 TYR A 123 9.843 7.646 -9.725 1.00 0.00 C ATOM 1861 CE2 TYR A 123 9.581 8.980 -7.763 1.00 0.00 C ATOM 1862 CZ TYR A 123 9.726 8.886 -9.128 1.00 0.00 C ATOM 1863 OH TYR A 123 9.760 10.031 -9.895 1.00 0.00 O ATOM 0 H TYR A 123 7.816 4.511 -8.637 1.00 0.00 H new ATOM 0 HA TYR A 123 8.322 4.048 -5.754 1.00 0.00 H new ATOM 0 HB2 TYR A 123 9.945 5.653 -5.723 1.00 0.00 H new ATOM 0 HB3 TYR A 123 10.321 4.657 -7.114 1.00 0.00 H new ATOM 0 HD1 TYR A 123 9.900 5.547 -9.418 1.00 0.00 H new ATOM 0 HD2 TYR A 123 9.437 7.931 -5.939 1.00 0.00 H new ATOM 0 HE1 TYR A 123 9.961 7.567 -10.796 1.00 0.00 H new ATOM 0 HE2 TYR A 123 9.492 9.948 -7.292 1.00 0.00 H new ATOM 0 HH TYR A 123 9.663 10.816 -9.316 1.00 0.00 H new ATOM 1873 N VAL A 124 6.720 5.903 -5.190 1.00 0.00 N ATOM 1874 CA VAL A 124 5.606 6.765 -4.885 1.00 0.00 C ATOM 1875 C VAL A 124 5.972 7.563 -3.667 1.00 0.00 C ATOM 1876 O VAL A 124 6.942 7.232 -3.002 1.00 0.00 O ATOM 1877 CB VAL A 124 4.319 5.915 -4.643 1.00 0.00 C ATOM 1878 CG1 VAL A 124 4.446 5.028 -3.425 1.00 0.00 C ATOM 1879 CG2 VAL A 124 3.038 6.743 -4.601 1.00 0.00 C ATOM 0 H VAL A 124 7.164 5.480 -4.375 1.00 0.00 H new ATOM 0 HA VAL A 124 5.394 7.438 -5.716 1.00 0.00 H new ATOM 0 HB VAL A 124 4.230 5.270 -5.517 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.528 4.455 -3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 124 5.285 4.345 -3.558 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.617 5.644 -2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.185 6.086 -4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.102 7.472 -3.793 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.910 7.263 -5.550 1.00 0.00 H new ATOM 1889 N LEU A 125 5.228 8.578 -3.374 1.00 0.00 N ATOM 1890 CA LEU A 125 5.540 9.449 -2.253 1.00 0.00 C ATOM 1891 C LEU A 125 5.282 8.763 -0.917 1.00 0.00 C ATOM 1892 O LEU A 125 4.588 7.724 -0.838 1.00 0.00 O ATOM 1893 CB LEU A 125 4.806 10.806 -2.326 1.00 0.00 C ATOM 1894 CG LEU A 125 5.288 11.830 -3.389 1.00 0.00 C ATOM 1895 CD1 LEU A 125 5.095 11.334 -4.817 1.00 0.00 C ATOM 1896 CD2 LEU A 125 4.584 13.164 -3.190 1.00 0.00 C ATOM 0 H LEU A 125 4.389 8.839 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 125 6.607 9.661 -2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.750 10.607 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.878 11.280 -1.347 1.00 0.00 H new ATOM 0 HG LEU A 125 6.361 11.959 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 125 5.450 12.091 -5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 125 5.660 10.413 -4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 125 4.037 11.142 -4.996 1.00 0.00 H new ATOM 0 HD21 LEU A 125 4.930 13.874 -3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 125 3.507 13.026 -3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 125 4.809 13.549 -2.196 1.00 0.00 H new