USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 683 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 TYR OH : rot -62:sc= 1.38 USER MOD Set 1.2: A 67 MET CE :methyl 142:sc= -0.893 (180deg=-3.17!) USER MOD Single : A 1 MET CE :methyl -145:sc= -0.782! (180deg=-2.96!) USER MOD Single : A 1 MET N :NH3+ -146:sc= -0.117 (180deg=-0.81) USER MOD Single : A 4 TYR OH : rot 21:sc= -1.94! USER MOD Single : A 7 ASN : amide:sc= -0.21 K(o=-0.21,f=-3.1!) USER MOD Single : A 11 ASN :FLIP amide:sc= -0.179 F(o=-1.3,f=-0.18) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -2.14 K(o=-2.1,f=-9.4!) USER MOD Single : A 23 LYS NZ :NH3+ -150:sc= -0.0184 (180deg=-0.399) USER MOD Single : A 27 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.21) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN :FLIP amide:sc=-0.00822 F(o=-0.62,f=-0.0082) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= 0.712 K(o=0.71,f=-4.8!) USER MOD Single : A 89 MET CE :methyl 148:sc= -0.345 (180deg=-1.77!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 48:sc= 0.0533 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.045 -12.634 5.370 1.00 0.00 N ATOM 2 CA MET A 1 -7.046 -13.677 5.000 1.00 0.00 C ATOM 3 C MET A 1 -6.031 -13.106 4.005 1.00 0.00 C ATOM 4 O MET A 1 -4.871 -13.467 4.013 1.00 0.00 O ATOM 5 CB MET A 1 -7.862 -14.797 4.351 1.00 0.00 C ATOM 6 CG MET A 1 -7.328 -16.152 4.815 1.00 0.00 C ATOM 7 SD MET A 1 -8.509 -17.449 4.371 1.00 0.00 S ATOM 8 CE MET A 1 -9.943 -16.750 5.226 1.00 0.00 C ATOM 0 H1 MET A 1 -8.332 -12.764 6.361 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.622 -11.691 5.253 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.879 -12.718 4.754 1.00 0.00 H new ATOM 0 HA MET A 1 -6.481 -14.032 5.862 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.914 -14.697 4.619 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.802 -14.723 3.265 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.361 -16.352 4.353 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.170 -16.143 5.893 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.556 -17.557 5.627 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.604 -16.112 6.042 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.533 -16.160 4.525 1.00 0.00 H new ATOM 20 N ARG A 2 -6.460 -12.217 3.153 1.00 0.00 N ATOM 21 CA ARG A 2 -5.520 -11.622 2.160 1.00 0.00 C ATOM 22 C ARG A 2 -5.251 -10.155 2.505 1.00 0.00 C ATOM 23 O ARG A 2 -6.070 -9.488 3.106 1.00 0.00 O ATOM 24 CB ARG A 2 -6.241 -11.738 0.817 1.00 0.00 C ATOM 25 CG ARG A 2 -5.805 -13.026 0.116 1.00 0.00 C ATOM 26 CD ARG A 2 -6.846 -13.414 -0.935 1.00 0.00 C ATOM 27 NE ARG A 2 -6.130 -14.333 -1.861 1.00 0.00 N ATOM 28 CZ ARG A 2 -5.881 -15.562 -1.499 1.00 0.00 C ATOM 29 NH1 ARG A 2 -6.857 -16.422 -1.395 1.00 0.00 N ATOM 30 NH2 ARG A 2 -4.657 -15.930 -1.238 1.00 0.00 N ATOM 0 H ARG A 2 -7.420 -11.876 3.101 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.554 -12.126 2.147 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.320 -11.742 0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.011 -10.875 0.192 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.832 -12.884 -0.355 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -5.692 -13.829 0.845 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.705 -13.904 -0.478 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -7.222 -12.537 -1.461 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.834 -14.002 -2.779 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.814 -16.134 -1.597 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.662 -17.382 -1.112 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -3.894 -15.257 -1.317 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -4.463 -16.890 -0.955 1.00 0.00 H new ATOM 44 N ARG A 3 -4.107 -9.647 2.134 1.00 0.00 N ATOM 45 CA ARG A 3 -3.791 -8.224 2.450 1.00 0.00 C ATOM 46 C ARG A 3 -3.768 -7.383 1.174 1.00 0.00 C ATOM 47 O ARG A 3 -3.438 -7.861 0.107 1.00 0.00 O ATOM 48 CB ARG A 3 -2.406 -8.259 3.096 1.00 0.00 C ATOM 49 CG ARG A 3 -2.483 -8.994 4.436 1.00 0.00 C ATOM 50 CD ARG A 3 -1.069 -9.227 4.972 1.00 0.00 C ATOM 51 NE ARG A 3 -1.208 -10.343 5.947 1.00 0.00 N ATOM 52 CZ ARG A 3 -0.150 -10.836 6.531 1.00 0.00 C ATOM 53 NH1 ARG A 3 1.007 -10.801 5.926 1.00 0.00 N ATOM 54 NH2 ARG A 3 -0.248 -11.365 7.719 1.00 0.00 N ATOM 0 H ARG A 3 -3.380 -10.153 1.628 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.537 -7.775 3.106 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.698 -8.760 2.435 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.038 -7.244 3.247 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.063 -8.410 5.151 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.998 -9.947 4.311 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -0.380 -9.488 4.169 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -0.675 -8.331 5.451 1.00 0.00 H new ATOM 0 HE ARG A 3 -2.131 -10.723 6.159 1.00 0.00 H new ATOM 0 HH11 ARG A 3 1.084 -10.388 4.996 1.00 0.00 H new ATOM 0 HH12 ARG A 3 1.833 -11.186 6.383 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -1.151 -11.393 8.192 1.00 0.00 H new ATOM 0 HH22 ARG A 3 0.579 -11.750 8.175 1.00 0.00 H new ATOM 68 N TYR A 4 -4.122 -6.131 1.276 1.00 0.00 N ATOM 69 CA TYR A 4 -4.129 -5.256 0.079 1.00 0.00 C ATOM 70 C TYR A 4 -3.541 -3.892 0.427 1.00 0.00 C ATOM 71 O TYR A 4 -3.372 -3.551 1.581 1.00 0.00 O ATOM 72 CB TYR A 4 -5.597 -5.123 -0.297 1.00 0.00 C ATOM 73 CG TYR A 4 -6.132 -6.471 -0.715 1.00 0.00 C ATOM 74 CD1 TYR A 4 -6.490 -7.415 0.255 1.00 0.00 C ATOM 75 CD2 TYR A 4 -6.265 -6.778 -2.073 1.00 0.00 C ATOM 76 CE1 TYR A 4 -6.982 -8.666 -0.134 1.00 0.00 C ATOM 77 CE2 TYR A 4 -6.757 -8.030 -2.463 1.00 0.00 C ATOM 78 CZ TYR A 4 -7.116 -8.974 -1.494 1.00 0.00 C ATOM 79 OH TYR A 4 -7.599 -10.208 -1.878 1.00 0.00 O ATOM 0 H TYR A 4 -4.408 -5.678 2.144 1.00 0.00 H new ATOM 0 HA TYR A 4 -3.533 -5.662 -0.738 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.167 -4.740 0.549 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.712 -4.406 -1.110 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.386 -7.178 1.304 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -5.988 -6.050 -2.821 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.258 -9.394 0.614 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -6.859 -8.267 -3.512 1.00 0.00 H new ATOM 0 HH TYR A 4 -8.100 -10.608 -1.137 1.00 0.00 H new ATOM 89 N GLU A 5 -3.229 -3.109 -0.560 1.00 0.00 N ATOM 90 CA GLU A 5 -2.653 -1.764 -0.287 1.00 0.00 C ATOM 91 C GLU A 5 -3.675 -0.685 -0.642 1.00 0.00 C ATOM 92 O GLU A 5 -4.330 -0.748 -1.664 1.00 0.00 O ATOM 93 CB GLU A 5 -1.427 -1.661 -1.197 1.00 0.00 C ATOM 94 CG GLU A 5 -0.610 -2.951 -1.104 1.00 0.00 C ATOM 95 CD GLU A 5 0.467 -2.951 -2.189 1.00 0.00 C ATOM 96 OE1 GLU A 5 0.799 -1.878 -2.665 1.00 0.00 O ATOM 97 OE2 GLU A 5 0.941 -4.023 -2.527 1.00 0.00 O ATOM 0 H GLU A 5 -3.347 -3.340 -1.547 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.389 -1.629 0.762 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -1.739 -1.490 -2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.814 -0.808 -0.904 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.149 -3.032 -0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.262 -3.816 -1.223 1.00 0.00 H new ATOM 104 N VAL A 6 -3.825 0.301 0.197 1.00 0.00 N ATOM 105 CA VAL A 6 -4.816 1.374 -0.095 1.00 0.00 C ATOM 106 C VAL A 6 -4.123 2.564 -0.759 1.00 0.00 C ATOM 107 O VAL A 6 -3.382 3.296 -0.132 1.00 0.00 O ATOM 108 CB VAL A 6 -5.383 1.773 1.267 1.00 0.00 C ATOM 109 CG1 VAL A 6 -4.283 2.418 2.113 1.00 0.00 C ATOM 110 CG2 VAL A 6 -6.524 2.775 1.071 1.00 0.00 C ATOM 0 H VAL A 6 -3.307 0.411 1.069 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.598 1.040 -0.778 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.759 0.885 1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.690 2.702 3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.469 1.707 2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.906 3.305 1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.929 3.060 2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.146 3.661 0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.310 2.318 0.470 1.00 0.00 H new ATOM 120 N ASN A 7 -4.364 2.764 -2.025 1.00 0.00 N ATOM 121 CA ASN A 7 -3.724 3.906 -2.733 1.00 0.00 C ATOM 122 C ASN A 7 -4.756 5.007 -2.987 1.00 0.00 C ATOM 123 O ASN A 7 -5.502 4.963 -3.944 1.00 0.00 O ATOM 124 CB ASN A 7 -3.221 3.318 -4.052 1.00 0.00 C ATOM 125 CG ASN A 7 -1.982 2.461 -3.789 1.00 0.00 C ATOM 126 OD1 ASN A 7 -1.971 1.651 -2.884 1.00 0.00 O ATOM 127 ND2 ASN A 7 -0.930 2.607 -4.548 1.00 0.00 N ATOM 0 H ASN A 7 -4.977 2.185 -2.599 1.00 0.00 H new ATOM 0 HA ASN A 7 -2.916 4.357 -2.157 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.002 2.715 -4.515 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.981 4.119 -4.751 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.098 2.041 -4.381 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -0.940 3.287 -5.308 1.00 0.00 H new ATOM 134 N ILE A 8 -4.804 5.992 -2.133 1.00 0.00 N ATOM 135 CA ILE A 8 -5.787 7.096 -2.321 1.00 0.00 C ATOM 136 C ILE A 8 -5.055 8.432 -2.459 1.00 0.00 C ATOM 137 O ILE A 8 -4.208 8.773 -1.657 1.00 0.00 O ATOM 138 CB ILE A 8 -6.643 7.081 -1.055 1.00 0.00 C ATOM 139 CG1 ILE A 8 -7.472 5.796 -1.020 1.00 0.00 C ATOM 140 CG2 ILE A 8 -7.577 8.293 -1.055 1.00 0.00 C ATOM 141 CD1 ILE A 8 -8.138 5.657 0.349 1.00 0.00 C ATOM 0 H ILE A 8 -4.205 6.080 -1.312 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.389 6.968 -3.221 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.998 7.123 -0.177 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.229 5.817 -1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.835 4.934 -1.216 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.187 8.282 -0.152 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.986 9.208 -1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.224 8.253 -1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.729 4.742 0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.372 5.617 1.124 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.788 6.514 0.526 1.00 0.00 H new ATOM 153 N VAL A 9 -5.371 9.191 -3.471 1.00 0.00 N ATOM 154 CA VAL A 9 -4.689 10.501 -3.657 1.00 0.00 C ATOM 155 C VAL A 9 -5.657 11.648 -3.358 1.00 0.00 C ATOM 156 O VAL A 9 -6.672 11.805 -4.006 1.00 0.00 O ATOM 157 CB VAL A 9 -4.265 10.520 -5.126 1.00 0.00 C ATOM 158 CG1 VAL A 9 -5.497 10.710 -6.013 1.00 0.00 C ATOM 159 CG2 VAL A 9 -3.286 11.673 -5.357 1.00 0.00 C ATOM 0 H VAL A 9 -6.071 8.961 -4.176 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.838 10.625 -2.987 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.782 9.576 -5.377 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.193 10.723 -7.060 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.194 9.889 -5.848 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.983 11.654 -5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.982 11.688 -6.404 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.770 12.617 -5.106 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.407 11.536 -4.726 1.00 0.00 H new ATOM 169 N LEU A 10 -5.350 12.450 -2.375 1.00 0.00 N ATOM 170 CA LEU A 10 -6.252 13.584 -2.028 1.00 0.00 C ATOM 171 C LEU A 10 -5.571 14.919 -2.335 1.00 0.00 C ATOM 172 O LEU A 10 -4.393 15.097 -2.092 1.00 0.00 O ATOM 173 CB LEU A 10 -6.501 13.442 -0.527 1.00 0.00 C ATOM 174 CG LEU A 10 -7.720 12.550 -0.292 1.00 0.00 C ATOM 175 CD1 LEU A 10 -7.338 11.401 0.642 1.00 0.00 C ATOM 176 CD2 LEU A 10 -8.837 13.377 0.350 1.00 0.00 C ATOM 0 H LEU A 10 -4.513 12.369 -1.797 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.179 13.565 -2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.625 13.013 -0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.664 14.423 -0.081 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.065 12.146 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.207 10.765 0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.540 10.813 0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.995 11.805 1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.708 12.743 0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.491 13.779 1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.109 14.198 -0.313 1.00 0.00 H new ATOM 188 N ASN A 11 -6.303 15.860 -2.863 1.00 0.00 N ATOM 189 CA ASN A 11 -5.700 17.185 -3.180 1.00 0.00 C ATOM 190 C ASN A 11 -6.002 18.178 -2.057 1.00 0.00 C ATOM 191 O ASN A 11 -6.956 18.016 -1.324 1.00 0.00 O ATOM 192 CB ASN A 11 -6.368 17.628 -4.482 1.00 0.00 C ATOM 193 CG ASN A 11 -5.894 16.734 -5.628 1.00 0.00 C ATOM 194 OD1 ASN A 11 -6.210 15.468 -5.626 1.00 0.00 O flip ATOM 195 ND2 ASN A 11 -5.228 17.193 -6.536 1.00 0.00 N flip ATOM 0 H ASN A 11 -7.293 15.769 -3.089 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.616 17.133 -3.280 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.452 17.569 -4.385 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -6.123 18.669 -4.693 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.981 18.183 -6.538 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -4.916 16.588 -7.296 1.00 0.00 H new ATOM 202 N PRO A 12 -5.172 19.180 -1.963 1.00 0.00 N ATOM 203 CA PRO A 12 -5.342 20.216 -0.923 1.00 0.00 C ATOM 204 C PRO A 12 -6.399 21.232 -1.358 1.00 0.00 C ATOM 205 O PRO A 12 -6.201 22.428 -1.277 1.00 0.00 O ATOM 206 CB PRO A 12 -3.967 20.866 -0.841 1.00 0.00 C ATOM 207 CG PRO A 12 -3.336 20.633 -2.180 1.00 0.00 C ATOM 208 CD PRO A 12 -4.006 19.434 -2.809 1.00 0.00 C ATOM 0 HA PRO A 12 -5.677 19.816 0.034 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.048 21.931 -0.625 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.370 20.424 -0.043 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.453 21.511 -2.815 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.266 20.458 -2.072 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.300 19.638 -3.839 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.338 18.573 -2.833 1.00 0.00 H new ATOM 216 N ASN A 13 -7.519 20.758 -1.818 1.00 0.00 N ATOM 217 CA ASN A 13 -8.599 21.682 -2.265 1.00 0.00 C ATOM 218 C ASN A 13 -9.002 22.618 -1.123 1.00 0.00 C ATOM 219 O ASN A 13 -9.571 23.670 -1.344 1.00 0.00 O ATOM 220 CB ASN A 13 -9.766 20.770 -2.648 1.00 0.00 C ATOM 221 CG ASN A 13 -10.821 21.579 -3.402 1.00 0.00 C ATOM 222 OD1 ASN A 13 -11.848 21.922 -2.853 1.00 0.00 O ATOM 223 ND2 ASN A 13 -10.611 21.899 -4.649 1.00 0.00 N ATOM 0 H ASN A 13 -7.736 19.765 -1.905 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.284 22.313 -3.096 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -9.410 19.948 -3.270 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -10.203 20.327 -1.753 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.309 22.437 -5.162 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.748 21.611 -5.111 1.00 0.00 H new ATOM 230 N LEU A 14 -8.714 22.249 0.096 1.00 0.00 N ATOM 231 CA LEU A 14 -9.089 23.127 1.242 1.00 0.00 C ATOM 232 C LEU A 14 -7.849 23.801 1.825 1.00 0.00 C ATOM 233 O LEU A 14 -6.775 23.754 1.258 1.00 0.00 O ATOM 234 CB LEU A 14 -9.720 22.194 2.276 1.00 0.00 C ATOM 235 CG LEU A 14 -11.223 22.467 2.377 1.00 0.00 C ATOM 236 CD1 LEU A 14 -11.482 23.971 2.481 1.00 0.00 C ATOM 237 CD2 LEU A 14 -11.923 21.916 1.132 1.00 0.00 C ATOM 0 H LEU A 14 -8.238 21.383 0.347 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.771 23.921 0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.549 21.155 1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.249 22.342 3.248 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.614 21.978 3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -12.555 24.151 2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.988 24.365 3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.088 24.470 1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.994 22.109 1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -11.523 22.404 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.752 20.842 1.064 1.00 0.00 H new ATOM 249 N ASP A 15 -7.991 24.428 2.960 1.00 0.00 N ATOM 250 CA ASP A 15 -6.823 25.106 3.587 1.00 0.00 C ATOM 251 C ASP A 15 -6.156 24.174 4.601 1.00 0.00 C ATOM 252 O ASP A 15 -6.472 23.003 4.682 1.00 0.00 O ATOM 253 CB ASP A 15 -7.400 26.347 4.274 1.00 0.00 C ATOM 254 CG ASP A 15 -8.095 25.947 5.577 1.00 0.00 C ATOM 255 OD1 ASP A 15 -7.420 25.897 6.593 1.00 0.00 O ATOM 256 OD2 ASP A 15 -9.289 25.701 5.538 1.00 0.00 O ATOM 0 H ASP A 15 -8.866 24.500 3.480 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.058 25.374 2.859 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.603 27.062 4.481 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.109 26.843 3.611 1.00 0.00 H new ATOM 261 N GLN A 16 -5.231 24.678 5.369 1.00 0.00 N ATOM 262 CA GLN A 16 -4.542 23.812 6.368 1.00 0.00 C ATOM 263 C GLN A 16 -5.517 23.375 7.464 1.00 0.00 C ATOM 264 O GLN A 16 -5.605 22.212 7.798 1.00 0.00 O ATOM 265 CB GLN A 16 -3.433 24.687 6.953 1.00 0.00 C ATOM 266 CG GLN A 16 -2.723 25.438 5.825 1.00 0.00 C ATOM 267 CD GLN A 16 -1.218 25.179 5.907 1.00 0.00 C ATOM 268 OE1 GLN A 16 -0.505 25.882 6.595 1.00 0.00 O ATOM 269 NE2 GLN A 16 -0.701 24.192 5.228 1.00 0.00 N ATOM 0 H GLN A 16 -4.922 25.650 5.349 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.149 22.900 5.918 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.853 25.395 7.667 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.719 24.070 7.499 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.107 25.111 4.859 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.924 26.507 5.903 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.300 23.602 4.650 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.302 24.011 5.275 1.00 0.00 H new ATOM 278 N SER A 17 -6.247 24.297 8.026 1.00 0.00 N ATOM 279 CA SER A 17 -7.209 23.927 9.098 1.00 0.00 C ATOM 280 C SER A 17 -8.276 22.983 8.539 1.00 0.00 C ATOM 281 O SER A 17 -8.594 21.971 9.129 1.00 0.00 O ATOM 282 CB SER A 17 -7.829 25.248 9.548 1.00 0.00 C ATOM 283 OG SER A 17 -6.844 26.026 10.215 1.00 0.00 O ATOM 0 H SER A 17 -6.219 25.289 7.789 1.00 0.00 H new ATOM 0 HA SER A 17 -6.731 23.406 9.927 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.218 25.792 8.687 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.672 25.060 10.213 1.00 0.00 H new ATOM 0 HG SER A 17 -7.238 26.875 10.504 1.00 0.00 H new ATOM 289 N GLN A 18 -8.822 23.303 7.396 1.00 0.00 N ATOM 290 CA GLN A 18 -9.857 22.418 6.791 1.00 0.00 C ATOM 291 C GLN A 18 -9.228 21.076 6.412 1.00 0.00 C ATOM 292 O GLN A 18 -9.796 20.026 6.637 1.00 0.00 O ATOM 293 CB GLN A 18 -10.332 23.156 5.537 1.00 0.00 C ATOM 294 CG GLN A 18 -11.409 24.176 5.916 1.00 0.00 C ATOM 295 CD GLN A 18 -12.780 23.499 5.889 1.00 0.00 C ATOM 296 OE1 GLN A 18 -13.020 22.558 6.618 1.00 0.00 O ATOM 297 NE2 GLN A 18 -13.697 23.940 5.070 1.00 0.00 N ATOM 0 H GLN A 18 -8.596 24.138 6.856 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.680 22.212 7.475 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.492 23.660 5.060 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.730 22.445 4.813 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.210 24.580 6.909 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -11.392 25.015 5.221 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.496 24.730 4.457 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.614 23.494 5.043 1.00 0.00 H new ATOM 306 N LEU A 19 -8.055 21.107 5.839 1.00 0.00 N ATOM 307 CA LEU A 19 -7.384 19.835 5.445 1.00 0.00 C ATOM 308 C LEU A 19 -7.030 19.011 6.688 1.00 0.00 C ATOM 309 O LEU A 19 -7.197 17.808 6.713 1.00 0.00 O ATOM 310 CB LEU A 19 -6.114 20.275 4.711 1.00 0.00 C ATOM 311 CG LEU A 19 -5.205 19.067 4.481 1.00 0.00 C ATOM 312 CD1 LEU A 19 -5.179 18.725 2.991 1.00 0.00 C ATOM 313 CD2 LEU A 19 -3.786 19.401 4.950 1.00 0.00 C ATOM 0 H LEU A 19 -7.533 21.957 5.627 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.021 19.206 4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.374 20.733 3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.589 21.031 5.295 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.585 18.214 5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.531 17.864 2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.188 18.489 2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.799 19.578 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.137 18.541 4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.408 20.253 4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.802 19.647 6.012 1.00 0.00 H new ATOM 325 N ALA A 20 -6.538 19.645 7.718 1.00 0.00 N ATOM 326 CA ALA A 20 -6.170 18.897 8.947 1.00 0.00 C ATOM 327 C ALA A 20 -7.411 18.263 9.585 1.00 0.00 C ATOM 328 O ALA A 20 -7.356 17.173 10.121 1.00 0.00 O ATOM 329 CB ALA A 20 -5.560 19.941 9.882 1.00 0.00 C ATOM 0 H ALA A 20 -6.376 20.651 7.758 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.477 18.083 8.736 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.262 19.464 10.815 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.686 20.388 9.408 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.296 20.717 10.090 1.00 0.00 H new ATOM 335 N LEU A 21 -8.524 18.943 9.546 1.00 0.00 N ATOM 336 CA LEU A 21 -9.759 18.391 10.160 1.00 0.00 C ATOM 337 C LEU A 21 -10.189 17.092 9.459 1.00 0.00 C ATOM 338 O LEU A 21 -10.722 16.193 10.078 1.00 0.00 O ATOM 339 CB LEU A 21 -10.812 19.504 9.997 1.00 0.00 C ATOM 340 CG LEU A 21 -11.673 19.263 8.752 1.00 0.00 C ATOM 341 CD1 LEU A 21 -12.771 18.248 9.081 1.00 0.00 C ATOM 342 CD2 LEU A 21 -12.317 20.580 8.314 1.00 0.00 C ATOM 0 H LEU A 21 -8.629 19.861 9.113 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.617 18.124 11.207 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.447 19.542 10.882 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.316 20.471 9.919 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.047 18.877 7.947 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.384 18.076 8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.316 17.309 9.396 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.396 18.636 9.886 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.929 20.409 7.429 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.943 20.964 9.119 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.538 21.306 8.082 1.00 0.00 H new ATOM 354 N GLU A 22 -9.968 16.989 8.175 1.00 0.00 N ATOM 355 CA GLU A 22 -10.376 15.747 7.450 1.00 0.00 C ATOM 356 C GLU A 22 -9.630 14.534 8.014 1.00 0.00 C ATOM 357 O GLU A 22 -10.086 13.411 7.916 1.00 0.00 O ATOM 358 CB GLU A 22 -9.996 15.993 5.986 1.00 0.00 C ATOM 359 CG GLU A 22 -8.493 15.778 5.793 1.00 0.00 C ATOM 360 CD GLU A 22 -8.252 14.404 5.161 1.00 0.00 C ATOM 361 OE1 GLU A 22 -9.157 13.587 5.204 1.00 0.00 O ATOM 362 OE2 GLU A 22 -7.167 14.194 4.644 1.00 0.00 O ATOM 0 H GLU A 22 -9.526 17.705 7.599 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.440 15.536 7.558 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.555 15.318 5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.267 17.009 5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.082 16.561 5.156 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.979 15.845 6.752 1.00 0.00 H new ATOM 369 N LYS A 23 -8.488 14.750 8.607 1.00 0.00 N ATOM 370 CA LYS A 23 -7.716 13.611 9.181 1.00 0.00 C ATOM 371 C LYS A 23 -8.482 13.006 10.360 1.00 0.00 C ATOM 372 O LYS A 23 -8.443 11.815 10.599 1.00 0.00 O ATOM 373 CB LYS A 23 -6.402 14.227 9.660 1.00 0.00 C ATOM 374 CG LYS A 23 -5.228 13.563 8.937 1.00 0.00 C ATOM 375 CD LYS A 23 -5.411 13.706 7.425 1.00 0.00 C ATOM 376 CE LYS A 23 -5.594 12.321 6.800 1.00 0.00 C ATOM 377 NZ LYS A 23 -4.262 11.666 6.924 1.00 0.00 N ATOM 0 H LYS A 23 -8.055 15.667 8.719 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.552 12.812 8.458 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.401 15.300 9.467 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.299 14.096 10.737 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.290 14.024 9.245 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.169 12.509 9.209 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.278 14.331 7.210 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.544 14.202 6.988 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.364 11.751 7.320 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.902 12.396 5.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.129 10.998 6.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.515 12.389 6.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.210 11.153 7.827 1.00 0.00 H new ATOM 391 N GLU A 24 -9.175 13.825 11.100 1.00 0.00 N ATOM 392 CA GLU A 24 -9.944 13.312 12.272 1.00 0.00 C ATOM 393 C GLU A 24 -11.165 12.511 11.807 1.00 0.00 C ATOM 394 O GLU A 24 -11.369 11.384 12.211 1.00 0.00 O ATOM 395 CB GLU A 24 -10.384 14.567 13.027 1.00 0.00 C ATOM 396 CG GLU A 24 -9.672 14.622 14.380 1.00 0.00 C ATOM 397 CD GLU A 24 -8.190 14.931 14.165 1.00 0.00 C ATOM 398 OE1 GLU A 24 -7.777 14.981 13.018 1.00 0.00 O ATOM 399 OE2 GLU A 24 -7.492 15.112 15.150 1.00 0.00 O ATOM 0 H GLU A 24 -9.243 14.831 10.945 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.350 12.642 12.893 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.149 15.457 12.443 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.464 14.557 13.172 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.126 15.386 15.011 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.784 13.671 14.901 1.00 0.00 H new ATOM 406 N ILE A 25 -11.985 13.087 10.970 1.00 0.00 N ATOM 407 CA ILE A 25 -13.196 12.362 10.489 1.00 0.00 C ATOM 408 C ILE A 25 -12.801 11.163 9.619 1.00 0.00 C ATOM 409 O ILE A 25 -13.377 10.098 9.719 1.00 0.00 O ATOM 410 CB ILE A 25 -13.966 13.397 9.667 1.00 0.00 C ATOM 411 CG1 ILE A 25 -14.696 14.354 10.611 1.00 0.00 C ATOM 412 CG2 ILE A 25 -14.986 12.691 8.772 1.00 0.00 C ATOM 413 CD1 ILE A 25 -15.775 13.590 11.378 1.00 0.00 C ATOM 0 H ILE A 25 -11.868 14.030 10.598 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.791 11.962 11.310 1.00 0.00 H new ATOM 0 HB ILE A 25 -13.267 13.956 9.046 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -13.989 14.804 11.308 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -15.146 15.169 10.044 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -15.532 13.432 8.188 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -14.468 12.008 8.098 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -15.686 12.129 9.391 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -16.295 14.272 12.051 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -16.488 13.161 10.673 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -15.313 12.791 11.958 1.00 0.00 H new ATOM 425 N ILE A 26 -11.832 11.329 8.760 1.00 0.00 N ATOM 426 CA ILE A 26 -11.415 10.197 7.881 1.00 0.00 C ATOM 427 C ILE A 26 -10.859 9.039 8.718 1.00 0.00 C ATOM 428 O ILE A 26 -11.054 7.882 8.401 1.00 0.00 O ATOM 429 CB ILE A 26 -10.334 10.784 6.969 1.00 0.00 C ATOM 430 CG1 ILE A 26 -10.180 9.903 5.726 1.00 0.00 C ATOM 431 CG2 ILE A 26 -8.998 10.852 7.716 1.00 0.00 C ATOM 432 CD1 ILE A 26 -9.600 8.544 6.124 1.00 0.00 C ATOM 0 H ILE A 26 -11.312 12.196 8.628 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.249 9.788 7.311 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.627 11.790 6.670 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.147 9.768 5.242 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.526 10.390 5.002 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.235 11.271 7.060 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.106 11.485 8.597 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.702 9.849 8.023 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.492 7.920 5.237 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.624 8.687 6.588 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.270 8.055 6.831 1.00 0.00 H new ATOM 444 N GLN A 27 -10.164 9.340 9.780 1.00 0.00 N ATOM 445 CA GLN A 27 -9.592 8.258 10.632 1.00 0.00 C ATOM 446 C GLN A 27 -10.710 7.449 11.296 1.00 0.00 C ATOM 447 O GLN A 27 -10.614 6.248 11.452 1.00 0.00 O ATOM 448 CB GLN A 27 -8.758 8.985 11.688 1.00 0.00 C ATOM 449 CG GLN A 27 -7.405 9.373 11.089 1.00 0.00 C ATOM 450 CD GLN A 27 -6.574 8.111 10.851 1.00 0.00 C ATOM 451 OE1 GLN A 27 -6.249 7.399 11.780 1.00 0.00 O ATOM 452 NE2 GLN A 27 -6.214 7.802 9.636 1.00 0.00 N ATOM 0 H GLN A 27 -9.967 10.290 10.096 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.996 7.553 10.053 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.284 9.875 12.033 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.613 8.344 12.557 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.550 9.908 10.151 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.877 10.048 11.763 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.487 8.400 8.856 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.660 6.963 9.466 1.00 0.00 H new ATOM 461 N ARG A 28 -11.767 8.099 11.697 1.00 0.00 N ATOM 462 CA ARG A 28 -12.886 7.368 12.361 1.00 0.00 C ATOM 463 C ARG A 28 -13.609 6.459 11.361 1.00 0.00 C ATOM 464 O ARG A 28 -14.142 5.431 11.721 1.00 0.00 O ATOM 465 CB ARG A 28 -13.825 8.462 12.868 1.00 0.00 C ATOM 466 CG ARG A 28 -13.101 9.314 13.912 1.00 0.00 C ATOM 467 CD ARG A 28 -14.129 10.074 14.754 1.00 0.00 C ATOM 468 NE ARG A 28 -14.657 9.067 15.714 1.00 0.00 N ATOM 469 CZ ARG A 28 -15.936 9.015 15.970 1.00 0.00 C ATOM 470 NH1 ARG A 28 -16.801 9.170 15.006 1.00 0.00 N ATOM 471 NH2 ARG A 28 -16.349 8.810 17.191 1.00 0.00 N ATOM 0 H ARG A 28 -11.906 9.104 11.594 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.532 6.724 13.166 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.154 9.087 12.038 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -14.719 8.015 13.304 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.488 8.680 14.553 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.428 10.016 13.420 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.670 10.914 15.275 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.925 10.482 14.132 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.019 8.417 16.172 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -16.478 9.332 14.052 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -17.800 9.129 15.206 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.672 8.690 17.945 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -17.348 8.769 17.391 1.00 0.00 H new ATOM 485 N ALA A 29 -13.645 6.832 10.112 1.00 0.00 N ATOM 486 CA ALA A 29 -14.348 5.991 9.106 1.00 0.00 C ATOM 487 C ALA A 29 -13.690 4.617 8.995 1.00 0.00 C ATOM 488 O ALA A 29 -14.350 3.627 8.750 1.00 0.00 O ATOM 489 CB ALA A 29 -14.225 6.754 7.787 1.00 0.00 C ATOM 0 H ALA A 29 -13.218 7.683 9.745 1.00 0.00 H new ATOM 0 HA ALA A 29 -15.388 5.817 9.380 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.722 6.194 6.995 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.694 7.733 7.888 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.172 6.880 7.537 1.00 0.00 H new ATOM 495 N LEU A 30 -12.404 4.534 9.185 1.00 0.00 N ATOM 496 CA LEU A 30 -11.747 3.198 9.099 1.00 0.00 C ATOM 497 C LEU A 30 -12.465 2.283 10.071 1.00 0.00 C ATOM 498 O LEU A 30 -12.677 1.111 9.824 1.00 0.00 O ATOM 499 CB LEU A 30 -10.285 3.407 9.532 1.00 0.00 C ATOM 500 CG LEU A 30 -9.714 4.703 8.938 1.00 0.00 C ATOM 501 CD1 LEU A 30 -8.204 4.550 8.737 1.00 0.00 C ATOM 502 CD2 LEU A 30 -10.373 4.999 7.589 1.00 0.00 C ATOM 0 H LEU A 30 -11.786 5.318 9.393 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.783 2.762 8.101 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.226 3.445 10.620 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.682 2.558 9.209 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.916 5.526 9.624 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.798 5.470 8.315 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.728 4.350 9.697 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.010 3.722 8.056 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.961 5.920 7.177 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.180 4.176 6.901 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.448 5.113 7.726 1.00 0.00 H new ATOM 514 N GLU A 31 -12.851 2.840 11.176 1.00 0.00 N ATOM 515 CA GLU A 31 -13.581 2.063 12.204 1.00 0.00 C ATOM 516 C GLU A 31 -14.983 1.706 11.701 1.00 0.00 C ATOM 517 O GLU A 31 -15.467 0.611 11.911 1.00 0.00 O ATOM 518 CB GLU A 31 -13.667 2.989 13.416 1.00 0.00 C ATOM 519 CG GLU A 31 -12.256 3.319 13.911 1.00 0.00 C ATOM 520 CD GLU A 31 -11.779 2.223 14.865 1.00 0.00 C ATOM 521 OE1 GLU A 31 -12.240 2.207 15.994 1.00 0.00 O ATOM 522 OE2 GLU A 31 -10.961 1.419 14.450 1.00 0.00 O ATOM 0 H GLU A 31 -12.689 3.818 11.415 1.00 0.00 H new ATOM 0 HA GLU A 31 -13.081 1.125 12.444 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.194 3.905 13.150 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.240 2.512 14.211 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.573 3.402 13.066 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.254 4.284 14.419 1.00 0.00 H new ATOM 529 N ASN A 32 -15.646 2.624 11.043 1.00 0.00 N ATOM 530 CA ASN A 32 -17.010 2.333 10.539 1.00 0.00 C ATOM 531 C ASN A 32 -16.941 1.334 9.389 1.00 0.00 C ATOM 532 O ASN A 32 -17.725 0.410 9.302 1.00 0.00 O ATOM 533 CB ASN A 32 -17.548 3.676 10.050 1.00 0.00 C ATOM 534 CG ASN A 32 -19.071 3.603 9.931 1.00 0.00 C ATOM 535 OD1 ASN A 32 -19.762 3.414 10.912 1.00 0.00 O ATOM 536 ND2 ASN A 32 -19.628 3.743 8.758 1.00 0.00 N ATOM 0 H ASN A 32 -15.297 3.560 10.836 1.00 0.00 H new ATOM 0 HA ASN A 32 -17.649 1.894 11.305 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.264 4.468 10.744 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.109 3.926 9.084 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -20.643 3.694 8.666 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -19.048 3.902 7.934 1.00 0.00 H new ATOM 543 N TYR A 33 -16.005 1.518 8.504 1.00 0.00 N ATOM 544 CA TYR A 33 -15.868 0.601 7.359 1.00 0.00 C ATOM 545 C TYR A 33 -15.148 -0.680 7.811 1.00 0.00 C ATOM 546 O TYR A 33 -15.004 -1.626 7.065 1.00 0.00 O ATOM 547 CB TYR A 33 -15.066 1.428 6.343 1.00 0.00 C ATOM 548 CG TYR A 33 -13.973 0.613 5.695 1.00 0.00 C ATOM 549 CD1 TYR A 33 -14.289 -0.501 4.911 1.00 0.00 C ATOM 550 CD2 TYR A 33 -12.640 0.988 5.876 1.00 0.00 C ATOM 551 CE1 TYR A 33 -13.268 -1.243 4.309 1.00 0.00 C ATOM 552 CE2 TYR A 33 -11.620 0.249 5.275 1.00 0.00 C ATOM 553 CZ TYR A 33 -11.931 -0.868 4.491 1.00 0.00 C ATOM 554 OH TYR A 33 -10.921 -1.596 3.896 1.00 0.00 O ATOM 0 H TYR A 33 -15.324 2.277 8.532 1.00 0.00 H new ATOM 0 HA TYR A 33 -16.809 0.258 6.929 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.738 1.811 5.575 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -14.628 2.292 6.843 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -15.321 -0.788 4.771 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -12.399 1.850 6.481 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -13.510 -2.104 3.704 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -10.589 0.539 5.415 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.927 -2.511 4.247 1.00 0.00 H new ATOM 564 N GLY A 34 -14.717 -0.721 9.043 1.00 0.00 N ATOM 565 CA GLY A 34 -14.033 -1.933 9.558 1.00 0.00 C ATOM 566 C GLY A 34 -12.747 -2.185 8.770 1.00 0.00 C ATOM 567 O GLY A 34 -12.664 -3.100 7.974 1.00 0.00 O ATOM 0 H GLY A 34 -14.812 0.040 9.716 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.802 -1.808 10.616 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.694 -2.796 9.476 1.00 0.00 H new ATOM 571 N ALA A 35 -11.741 -1.386 8.990 1.00 0.00 N ATOM 572 CA ALA A 35 -10.457 -1.586 8.260 1.00 0.00 C ATOM 573 C ALA A 35 -9.364 -2.029 9.234 1.00 0.00 C ATOM 574 O ALA A 35 -9.310 -1.583 10.362 1.00 0.00 O ATOM 575 CB ALA A 35 -10.116 -0.221 7.666 1.00 0.00 C ATOM 0 H ALA A 35 -11.752 -0.603 9.644 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.537 -2.355 7.492 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.180 -0.289 7.112 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.914 0.093 6.993 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.010 0.509 8.469 1.00 0.00 H new ATOM 581 N ARG A 36 -8.492 -2.898 8.808 1.00 0.00 N ATOM 582 CA ARG A 36 -7.405 -3.359 9.712 1.00 0.00 C ATOM 583 C ARG A 36 -6.059 -2.867 9.190 1.00 0.00 C ATOM 584 O ARG A 36 -5.794 -2.881 8.004 1.00 0.00 O ATOM 585 CB ARG A 36 -7.444 -4.884 9.686 1.00 0.00 C ATOM 586 CG ARG A 36 -8.887 -5.379 9.547 1.00 0.00 C ATOM 587 CD ARG A 36 -9.163 -5.742 8.086 1.00 0.00 C ATOM 588 NE ARG A 36 -10.639 -5.626 7.929 1.00 0.00 N ATOM 589 CZ ARG A 36 -11.433 -6.452 8.556 1.00 0.00 C ATOM 590 NH1 ARG A 36 -10.972 -7.585 9.009 1.00 0.00 N ATOM 591 NH2 ARG A 36 -12.688 -6.144 8.728 1.00 0.00 N ATOM 0 H ARG A 36 -8.485 -3.308 7.874 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.537 -2.975 10.724 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.844 -5.255 8.855 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.003 -5.281 10.600 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.048 -6.248 10.185 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.581 -4.607 9.878 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.640 -5.068 7.407 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.821 -6.752 7.859 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.031 -4.899 7.330 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.990 -7.827 8.874 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.593 -8.229 9.499 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.049 -5.259 8.373 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.309 -6.788 9.218 1.00 0.00 H new ATOM 605 N VAL A 37 -5.211 -2.436 10.067 1.00 0.00 N ATOM 606 CA VAL A 37 -3.872 -1.940 9.637 1.00 0.00 C ATOM 607 C VAL A 37 -2.775 -2.845 10.197 1.00 0.00 C ATOM 608 O VAL A 37 -2.616 -2.978 11.394 1.00 0.00 O ATOM 609 CB VAL A 37 -3.764 -0.533 10.225 1.00 0.00 C ATOM 610 CG1 VAL A 37 -4.239 -0.548 11.681 1.00 0.00 C ATOM 611 CG2 VAL A 37 -2.308 -0.069 10.169 1.00 0.00 C ATOM 0 H VAL A 37 -5.382 -2.403 11.072 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.758 -1.935 8.553 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.387 0.150 9.648 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.162 0.456 12.099 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.277 -0.879 11.722 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.617 -1.231 12.260 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.229 0.934 10.588 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.686 -0.753 10.746 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.970 -0.057 9.133 1.00 0.00 H new ATOM 621 N GLU A 38 -2.015 -3.465 9.340 1.00 0.00 N ATOM 622 CA GLU A 38 -0.927 -4.357 9.823 1.00 0.00 C ATOM 623 C GLU A 38 0.391 -3.583 9.881 1.00 0.00 C ATOM 624 O GLU A 38 1.267 -3.889 10.663 1.00 0.00 O ATOM 625 CB GLU A 38 -0.844 -5.481 8.792 1.00 0.00 C ATOM 626 CG GLU A 38 -1.372 -6.779 9.408 1.00 0.00 C ATOM 627 CD GLU A 38 -0.922 -7.968 8.557 1.00 0.00 C ATOM 628 OE1 GLU A 38 -1.548 -8.213 7.539 1.00 0.00 O ATOM 629 OE2 GLU A 38 0.041 -8.613 8.938 1.00 0.00 O ATOM 0 H GLU A 38 -2.100 -3.393 8.326 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.119 -4.742 10.824 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.427 -5.222 7.908 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.187 -5.614 8.466 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.002 -6.887 10.427 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.460 -6.750 9.465 1.00 0.00 H new ATOM 636 N LYS A 39 0.537 -2.581 9.056 1.00 0.00 N ATOM 637 CA LYS A 39 1.805 -1.793 9.068 1.00 0.00 C ATOM 638 C LYS A 39 1.643 -0.488 8.281 1.00 0.00 C ATOM 639 O LYS A 39 0.688 -0.302 7.553 1.00 0.00 O ATOM 640 CB LYS A 39 2.837 -2.696 8.392 1.00 0.00 C ATOM 641 CG LYS A 39 3.669 -3.413 9.456 1.00 0.00 C ATOM 642 CD LYS A 39 3.301 -4.898 9.476 1.00 0.00 C ATOM 643 CE LYS A 39 3.496 -5.452 10.889 1.00 0.00 C ATOM 644 NZ LYS A 39 4.114 -6.793 10.694 1.00 0.00 N ATOM 0 H LYS A 39 -0.161 -2.275 8.378 1.00 0.00 H new ATOM 0 HA LYS A 39 2.099 -1.513 10.080 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.335 -3.425 7.756 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.486 -2.104 7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.731 -3.293 9.244 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.488 -2.969 10.435 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.266 -5.032 9.161 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.923 -5.447 8.769 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.140 -4.803 11.482 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.546 -5.528 11.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.279 -7.237 11.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.475 -7.391 10.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.020 -6.688 10.194 1.00 0.00 H new ATOM 658 N VAL A 40 2.578 0.413 8.422 1.00 0.00 N ATOM 659 CA VAL A 40 2.496 1.706 7.683 1.00 0.00 C ATOM 660 C VAL A 40 3.833 1.995 6.992 1.00 0.00 C ATOM 661 O VAL A 40 4.883 1.924 7.600 1.00 0.00 O ATOM 662 CB VAL A 40 2.206 2.759 8.752 1.00 0.00 C ATOM 663 CG1 VAL A 40 3.184 2.591 9.915 1.00 0.00 C ATOM 664 CG2 VAL A 40 2.371 4.156 8.148 1.00 0.00 C ATOM 0 H VAL A 40 3.398 0.309 9.019 1.00 0.00 H new ATOM 0 HA VAL A 40 1.729 1.695 6.909 1.00 0.00 H new ATOM 0 HB VAL A 40 1.186 2.635 9.115 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.976 3.343 10.677 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.070 1.596 10.346 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.205 2.714 9.553 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.164 4.908 8.909 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.392 4.277 7.785 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.674 4.278 7.319 1.00 0.00 H new ATOM 674 N GLU A 41 3.805 2.314 5.728 1.00 0.00 N ATOM 675 CA GLU A 41 5.076 2.598 5.000 1.00 0.00 C ATOM 676 C GLU A 41 5.183 4.089 4.670 1.00 0.00 C ATOM 677 O GLU A 41 4.220 4.717 4.277 1.00 0.00 O ATOM 678 CB GLU A 41 4.994 1.769 3.719 1.00 0.00 C ATOM 679 CG GLU A 41 6.145 0.761 3.692 1.00 0.00 C ATOM 680 CD GLU A 41 7.009 1.003 2.453 1.00 0.00 C ATOM 681 OE1 GLU A 41 7.311 2.153 2.180 1.00 0.00 O ATOM 682 OE2 GLU A 41 7.355 0.033 1.797 1.00 0.00 O ATOM 0 H GLU A 41 2.957 2.391 5.166 1.00 0.00 H new ATOM 0 HA GLU A 41 5.954 2.345 5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.038 1.248 3.671 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.046 2.421 2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.749 0.859 4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.752 -0.255 3.681 1.00 0.00 H new ATOM 689 N GLU A 42 6.346 4.661 4.823 1.00 0.00 N ATOM 690 CA GLU A 42 6.506 6.111 4.511 1.00 0.00 C ATOM 691 C GLU A 42 6.668 6.301 3.001 1.00 0.00 C ATOM 692 O GLU A 42 7.439 5.615 2.358 1.00 0.00 O ATOM 693 CB GLU A 42 7.778 6.541 5.243 1.00 0.00 C ATOM 694 CG GLU A 42 7.570 6.418 6.754 1.00 0.00 C ATOM 695 CD GLU A 42 7.892 7.756 7.423 1.00 0.00 C ATOM 696 OE1 GLU A 42 8.799 8.425 6.957 1.00 0.00 O ATOM 697 OE2 GLU A 42 7.224 8.089 8.389 1.00 0.00 O ATOM 0 H GLU A 42 7.190 4.190 5.149 1.00 0.00 H new ATOM 0 HA GLU A 42 5.643 6.700 4.822 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.617 5.920 4.930 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.029 7.569 4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.541 6.130 6.968 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.211 5.634 7.158 1.00 0.00 H new ATOM 704 N LEU A 43 5.938 7.217 2.430 1.00 0.00 N ATOM 705 CA LEU A 43 6.037 7.447 0.959 1.00 0.00 C ATOM 706 C LEU A 43 7.283 8.268 0.618 1.00 0.00 C ATOM 707 O LEU A 43 8.300 7.739 0.216 1.00 0.00 O ATOM 708 CB LEU A 43 4.777 8.236 0.601 1.00 0.00 C ATOM 709 CG LEU A 43 3.860 7.376 -0.266 1.00 0.00 C ATOM 710 CD1 LEU A 43 4.541 7.086 -1.604 1.00 0.00 C ATOM 711 CD2 LEU A 43 3.567 6.057 0.453 1.00 0.00 C ATOM 0 H LEU A 43 5.275 7.819 2.918 1.00 0.00 H new ATOM 0 HA LEU A 43 6.117 6.510 0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.256 8.539 1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.046 9.148 0.069 1.00 0.00 H new ATOM 0 HG LEU A 43 2.926 7.910 -0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.885 6.472 -2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.748 8.025 -2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.476 6.554 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.912 5.443 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.501 5.525 0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.078 6.263 1.405 1.00 0.00 H new ATOM 723 N GLY A 44 7.200 9.562 0.764 1.00 0.00 N ATOM 724 CA GLY A 44 8.363 10.432 0.437 1.00 0.00 C ATOM 725 C GLY A 44 7.894 11.545 -0.501 1.00 0.00 C ATOM 726 O GLY A 44 8.445 11.753 -1.564 1.00 0.00 O ATOM 0 H GLY A 44 6.372 10.056 1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.784 10.858 1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.152 9.847 -0.036 1.00 0.00 H new ATOM 955 N GLY A 58 0.777 15.994 -3.469 1.00 0.00 N ATOM 956 CA GLY A 58 0.143 14.649 -3.575 1.00 0.00 C ATOM 957 C GLY A 58 0.553 13.796 -2.372 1.00 0.00 C ATOM 958 O GLY A 58 1.719 13.675 -2.055 1.00 0.00 O ATOM 0 HA2 GLY A 58 -0.942 14.748 -3.611 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.450 14.162 -4.501 1.00 0.00 H new ATOM 962 N TYR A 59 -0.397 13.207 -1.699 1.00 0.00 N ATOM 963 CA TYR A 59 -0.060 12.366 -0.514 1.00 0.00 C ATOM 964 C TYR A 59 -0.538 10.926 -0.723 1.00 0.00 C ATOM 965 O TYR A 59 -1.701 10.679 -0.979 1.00 0.00 O ATOM 966 CB TYR A 59 -0.805 13.014 0.653 1.00 0.00 C ATOM 967 CG TYR A 59 -0.697 12.132 1.875 1.00 0.00 C ATOM 968 CD1 TYR A 59 0.512 11.492 2.174 1.00 0.00 C ATOM 969 CD2 TYR A 59 -1.807 11.954 2.709 1.00 0.00 C ATOM 970 CE1 TYR A 59 0.611 10.676 3.308 1.00 0.00 C ATOM 971 CE2 TYR A 59 -1.710 11.139 3.842 1.00 0.00 C ATOM 972 CZ TYR A 59 -0.501 10.499 4.142 1.00 0.00 C ATOM 973 OH TYR A 59 -0.404 9.696 5.260 1.00 0.00 O ATOM 0 H TYR A 59 -1.391 13.271 -1.918 1.00 0.00 H new ATOM 0 HA TYR A 59 1.015 12.316 -0.338 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.386 13.998 0.864 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.852 13.163 0.391 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.368 11.628 1.530 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.740 12.447 2.477 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.544 10.183 3.539 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.567 11.003 4.485 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.265 9.682 5.728 1.00 0.00 H new ATOM 983 N PHE A 60 0.349 9.976 -0.614 1.00 0.00 N ATOM 984 CA PHE A 60 -0.053 8.551 -0.802 1.00 0.00 C ATOM 985 C PHE A 60 0.165 7.766 0.494 1.00 0.00 C ATOM 986 O PHE A 60 1.176 7.908 1.152 1.00 0.00 O ATOM 987 CB PHE A 60 0.861 8.024 -1.907 1.00 0.00 C ATOM 988 CG PHE A 60 0.057 7.805 -3.165 1.00 0.00 C ATOM 989 CD1 PHE A 60 -0.955 6.837 -3.190 1.00 0.00 C ATOM 990 CD2 PHE A 60 0.322 8.570 -4.306 1.00 0.00 C ATOM 991 CE1 PHE A 60 -1.699 6.633 -4.356 1.00 0.00 C ATOM 992 CE2 PHE A 60 -0.423 8.366 -5.474 1.00 0.00 C ATOM 993 CZ PHE A 60 -1.434 7.398 -5.499 1.00 0.00 C ATOM 0 H PHE A 60 1.336 10.124 -0.403 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.107 8.450 -1.062 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.666 8.734 -2.097 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.327 7.090 -1.593 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.161 6.248 -2.308 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.101 9.318 -4.286 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.478 5.885 -4.375 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.218 8.955 -6.355 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.009 7.241 -6.399 1.00 0.00 H new ATOM 1003 N LEU A 61 -0.775 6.942 0.869 1.00 0.00 N ATOM 1004 CA LEU A 61 -0.614 6.156 2.127 1.00 0.00 C ATOM 1005 C LEU A 61 -0.608 4.651 1.831 1.00 0.00 C ATOM 1006 O LEU A 61 -1.468 4.140 1.142 1.00 0.00 O ATOM 1007 CB LEU A 61 -1.824 6.525 2.988 1.00 0.00 C ATOM 1008 CG LEU A 61 -3.086 6.551 2.123 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -4.278 6.057 2.944 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -3.351 7.983 1.655 1.00 0.00 C ATOM 0 H LEU A 61 -1.645 6.779 0.362 1.00 0.00 H new ATOM 0 HA LEU A 61 0.329 6.381 2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.941 5.803 3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.669 7.500 3.451 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.947 5.903 1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.177 6.076 2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.090 5.038 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.418 6.705 3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.250 8.004 1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.490 8.629 2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.502 8.338 1.071 1.00 0.00 H new ATOM 1022 N TRP A 62 0.352 3.941 2.361 1.00 0.00 N ATOM 1023 CA TRP A 62 0.413 2.470 2.128 1.00 0.00 C ATOM 1024 C TRP A 62 0.171 1.735 3.449 1.00 0.00 C ATOM 1025 O TRP A 62 0.891 1.922 4.410 1.00 0.00 O ATOM 1026 CB TRP A 62 1.832 2.210 1.618 1.00 0.00 C ATOM 1027 CG TRP A 62 1.873 0.906 0.888 1.00 0.00 C ATOM 1028 CD1 TRP A 62 1.622 0.745 -0.431 1.00 0.00 C ATOM 1029 CD2 TRP A 62 2.183 -0.420 1.410 1.00 0.00 C ATOM 1030 NE1 TRP A 62 1.760 -0.594 -0.753 1.00 0.00 N ATOM 1031 CE2 TRP A 62 2.105 -1.352 0.348 1.00 0.00 C ATOM 1032 CE3 TRP A 62 2.523 -0.899 2.688 1.00 0.00 C ATOM 1033 CZ2 TRP A 62 2.353 -2.711 0.546 1.00 0.00 C ATOM 1034 CZ3 TRP A 62 2.773 -2.266 2.892 1.00 0.00 C ATOM 1035 CH2 TRP A 62 2.690 -3.170 1.822 1.00 0.00 C ATOM 0 H TRP A 62 1.098 4.318 2.946 1.00 0.00 H new ATOM 0 HA TRP A 62 -0.339 2.122 1.420 1.00 0.00 H new ATOM 0 HB2 TRP A 62 2.145 3.018 0.957 1.00 0.00 H new ATOM 0 HB3 TRP A 62 2.532 2.192 2.454 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.357 1.533 -1.121 1.00 0.00 H new ATOM 0 HE1 TRP A 62 1.623 -0.974 -1.690 1.00 0.00 H new ATOM 0 HE3 TRP A 62 2.592 -0.211 3.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 2.285 -3.403 -0.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 3.031 -2.623 3.878 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.886 -4.219 1.985 1.00 0.00 H new ATOM 1046 N TYR A 63 -0.839 0.912 3.515 1.00 0.00 N ATOM 1047 CA TYR A 63 -1.117 0.189 4.786 1.00 0.00 C ATOM 1048 C TYR A 63 -1.435 -1.280 4.512 1.00 0.00 C ATOM 1049 O TYR A 63 -2.003 -1.624 3.494 1.00 0.00 O ATOM 1050 CB TYR A 63 -2.341 0.891 5.374 1.00 0.00 C ATOM 1051 CG TYR A 63 -1.901 2.061 6.218 1.00 0.00 C ATOM 1052 CD1 TYR A 63 -1.471 1.854 7.534 1.00 0.00 C ATOM 1053 CD2 TYR A 63 -1.924 3.356 5.685 1.00 0.00 C ATOM 1054 CE1 TYR A 63 -1.064 2.940 8.317 1.00 0.00 C ATOM 1055 CE2 TYR A 63 -1.517 4.443 6.469 1.00 0.00 C ATOM 1056 CZ TYR A 63 -1.087 4.235 7.786 1.00 0.00 C ATOM 1057 OH TYR A 63 -0.688 5.305 8.559 1.00 0.00 O ATOM 0 H TYR A 63 -1.480 0.710 2.748 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.261 0.206 5.461 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.995 1.234 4.572 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.918 0.191 5.978 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.453 0.856 7.945 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.255 3.516 4.670 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -0.732 2.779 9.332 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.535 5.442 6.058 1.00 0.00 H new ATOM 0 HH TYR A 63 -0.764 6.131 8.038 1.00 0.00 H new ATOM 1067 N GLN A 64 -1.093 -2.146 5.423 1.00 0.00 N ATOM 1068 CA GLN A 64 -1.398 -3.588 5.224 1.00 0.00 C ATOM 1069 C GLN A 64 -2.747 -3.892 5.875 1.00 0.00 C ATOM 1070 O GLN A 64 -2.968 -3.596 7.033 1.00 0.00 O ATOM 1071 CB GLN A 64 -0.266 -4.341 5.923 1.00 0.00 C ATOM 1072 CG GLN A 64 0.908 -4.501 4.955 1.00 0.00 C ATOM 1073 CD GLN A 64 1.941 -5.454 5.555 1.00 0.00 C ATOM 1074 OE1 GLN A 64 1.543 -6.573 6.096 1.00 0.00 O flip ATOM 1075 NE2 GLN A 64 3.125 -5.178 5.534 1.00 0.00 N flip ATOM 0 H GLN A 64 -0.616 -1.918 6.295 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.463 -3.875 4.174 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.053 -3.798 6.813 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.615 -5.319 6.255 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.554 -4.887 3.999 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.365 -3.531 4.758 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.437 -4.304 5.111 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.806 -5.821 5.939 1.00 0.00 H new ATOM 1084 N VAL A 65 -3.667 -4.434 5.131 1.00 0.00 N ATOM 1085 CA VAL A 65 -5.014 -4.699 5.698 1.00 0.00 C ATOM 1086 C VAL A 65 -5.392 -6.179 5.589 1.00 0.00 C ATOM 1087 O VAL A 65 -4.686 -6.973 5.004 1.00 0.00 O ATOM 1088 CB VAL A 65 -5.933 -3.845 4.829 1.00 0.00 C ATOM 1089 CG1 VAL A 65 -5.403 -2.414 4.793 1.00 0.00 C ATOM 1090 CG2 VAL A 65 -5.946 -4.394 3.400 1.00 0.00 C ATOM 0 H VAL A 65 -3.544 -4.705 4.155 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.074 -4.462 6.760 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.941 -3.866 5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.056 -1.800 4.173 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.377 -2.010 5.805 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.396 -2.409 4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.603 -3.783 2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.936 -4.369 2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.309 -5.422 3.408 1.00 0.00 H new ATOM 1100 N GLU A 66 -6.515 -6.548 6.147 1.00 0.00 N ATOM 1101 CA GLU A 66 -6.965 -7.970 6.070 1.00 0.00 C ATOM 1102 C GLU A 66 -8.438 -8.023 5.653 1.00 0.00 C ATOM 1103 O GLU A 66 -9.322 -8.204 6.468 1.00 0.00 O ATOM 1104 CB GLU A 66 -6.787 -8.533 7.479 1.00 0.00 C ATOM 1105 CG GLU A 66 -7.364 -9.949 7.525 1.00 0.00 C ATOM 1106 CD GLU A 66 -8.278 -10.092 8.744 1.00 0.00 C ATOM 1107 OE1 GLU A 66 -8.036 -9.410 9.725 1.00 0.00 O ATOM 1108 OE2 GLU A 66 -9.204 -10.884 8.674 1.00 0.00 O ATOM 0 H GLU A 66 -7.142 -5.924 6.654 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.397 -8.543 5.337 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.731 -8.548 7.748 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.292 -7.897 8.206 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.924 -10.154 6.612 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.557 -10.680 7.575 1.00 0.00 H new ATOM 1115 N MET A 67 -8.706 -7.855 4.389 1.00 0.00 N ATOM 1116 CA MET A 67 -10.117 -7.880 3.906 1.00 0.00 C ATOM 1117 C MET A 67 -10.215 -8.646 2.585 1.00 0.00 C ATOM 1118 O MET A 67 -9.236 -8.798 1.882 1.00 0.00 O ATOM 1119 CB MET A 67 -10.489 -6.412 3.701 1.00 0.00 C ATOM 1120 CG MET A 67 -11.533 -6.001 4.740 1.00 0.00 C ATOM 1121 SD MET A 67 -12.006 -4.276 4.467 1.00 0.00 S ATOM 1122 CE MET A 67 -12.590 -4.469 2.765 1.00 0.00 C ATOM 0 H MET A 67 -8.005 -7.700 3.664 1.00 0.00 H new ATOM 0 HA MET A 67 -10.784 -8.378 4.610 1.00 0.00 H new ATOM 0 HB2 MET A 67 -9.602 -5.785 3.793 1.00 0.00 H new ATOM 0 HB3 MET A 67 -10.882 -6.262 2.696 1.00 0.00 H new ATOM 0 HG2 MET A 67 -12.409 -6.646 4.666 1.00 0.00 H new ATOM 0 HG3 MET A 67 -11.130 -6.124 5.745 1.00 0.00 H new ATOM 0 HE1 MET A 67 -13.470 -3.845 2.609 1.00 0.00 H new ATOM 0 HE2 MET A 67 -11.803 -4.166 2.074 1.00 0.00 H new ATOM 0 HE3 MET A 67 -12.849 -5.512 2.585 1.00 0.00 H new ATOM 1132 N PRO A 68 -11.401 -9.109 2.294 1.00 0.00 N ATOM 1133 CA PRO A 68 -11.630 -9.870 1.043 1.00 0.00 C ATOM 1134 C PRO A 68 -11.531 -8.935 -0.165 1.00 0.00 C ATOM 1135 O PRO A 68 -11.801 -7.753 -0.073 1.00 0.00 O ATOM 1136 CB PRO A 68 -13.046 -10.416 1.209 1.00 0.00 C ATOM 1137 CG PRO A 68 -13.707 -9.483 2.172 1.00 0.00 C ATOM 1138 CD PRO A 68 -12.627 -8.959 3.084 1.00 0.00 C ATOM 0 HA PRO A 68 -10.899 -10.661 0.874 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.575 -10.440 0.256 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -13.034 -11.436 1.592 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.197 -8.665 1.643 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.478 -10.000 2.743 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.803 -7.918 3.356 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -12.577 -9.527 4.013 1.00 0.00 H new ATOM 1146 N GLU A 69 -11.128 -9.451 -1.292 1.00 0.00 N ATOM 1147 CA GLU A 69 -10.990 -8.592 -2.504 1.00 0.00 C ATOM 1148 C GLU A 69 -12.361 -8.212 -3.073 1.00 0.00 C ATOM 1149 O GLU A 69 -12.480 -7.298 -3.859 1.00 0.00 O ATOM 1150 CB GLU A 69 -10.207 -9.449 -3.502 1.00 0.00 C ATOM 1151 CG GLU A 69 -11.140 -10.467 -4.162 1.00 0.00 C ATOM 1152 CD GLU A 69 -10.351 -11.730 -4.511 1.00 0.00 C ATOM 1153 OE1 GLU A 69 -9.778 -11.767 -5.588 1.00 0.00 O ATOM 1154 OE2 GLU A 69 -10.334 -12.639 -3.698 1.00 0.00 O ATOM 0 H GLU A 69 -10.887 -10.433 -1.428 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.486 -7.652 -2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.753 -8.813 -4.262 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.394 -9.966 -2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.962 -10.713 -3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.582 -10.041 -5.063 1.00 0.00 H new ATOM 1161 N ASP A 70 -13.394 -8.911 -2.700 1.00 0.00 N ATOM 1162 CA ASP A 70 -14.742 -8.582 -3.247 1.00 0.00 C ATOM 1163 C ASP A 70 -15.275 -7.274 -2.651 1.00 0.00 C ATOM 1164 O ASP A 70 -15.911 -6.489 -3.326 1.00 0.00 O ATOM 1165 CB ASP A 70 -15.630 -9.759 -2.840 1.00 0.00 C ATOM 1166 CG ASP A 70 -17.012 -9.604 -3.475 1.00 0.00 C ATOM 1167 OD1 ASP A 70 -17.135 -8.811 -4.392 1.00 0.00 O ATOM 1168 OD2 ASP A 70 -17.924 -10.283 -3.032 1.00 0.00 O ATOM 0 H ASP A 70 -13.367 -9.692 -2.044 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.716 -8.437 -4.327 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -15.176 -10.697 -3.159 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -15.720 -9.801 -1.755 1.00 0.00 H new ATOM 1173 N ARG A 71 -15.030 -7.035 -1.395 1.00 0.00 N ATOM 1174 CA ARG A 71 -15.526 -5.788 -0.762 1.00 0.00 C ATOM 1175 C ARG A 71 -14.688 -4.586 -1.205 1.00 0.00 C ATOM 1176 O ARG A 71 -14.964 -3.459 -0.843 1.00 0.00 O ATOM 1177 CB ARG A 71 -15.372 -6.023 0.741 1.00 0.00 C ATOM 1178 CG ARG A 71 -16.286 -5.064 1.505 1.00 0.00 C ATOM 1179 CD ARG A 71 -17.577 -5.789 1.892 1.00 0.00 C ATOM 1180 NE ARG A 71 -17.845 -5.372 3.296 1.00 0.00 N ATOM 1181 CZ ARG A 71 -19.034 -4.959 3.637 1.00 0.00 C ATOM 1182 NH1 ARG A 71 -20.000 -5.819 3.808 1.00 0.00 N ATOM 1183 NH2 ARG A 71 -19.257 -3.684 3.810 1.00 0.00 N ATOM 0 H ARG A 71 -14.505 -7.654 -0.778 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.556 -5.569 -1.042 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -15.624 -7.055 0.986 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.335 -5.869 1.039 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.781 -4.697 2.398 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -16.515 -4.195 0.889 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -18.399 -5.510 1.233 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -17.461 -6.870 1.816 1.00 0.00 H new ATOM 0 HE ARG A 71 -17.099 -5.409 3.991 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -19.825 -6.815 3.675 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -20.930 -5.495 4.075 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -18.501 -3.012 3.678 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -20.187 -3.360 4.077 1.00 0.00 H new ATOM 1197 N VAL A 72 -13.656 -4.815 -1.971 1.00 0.00 N ATOM 1198 CA VAL A 72 -12.795 -3.680 -2.413 1.00 0.00 C ATOM 1199 C VAL A 72 -13.540 -2.763 -3.391 1.00 0.00 C ATOM 1200 O VAL A 72 -13.524 -1.555 -3.257 1.00 0.00 O ATOM 1201 CB VAL A 72 -11.582 -4.338 -3.082 1.00 0.00 C ATOM 1202 CG1 VAL A 72 -11.888 -4.683 -4.543 1.00 0.00 C ATOM 1203 CG2 VAL A 72 -10.407 -3.371 -3.037 1.00 0.00 C ATOM 0 H VAL A 72 -13.372 -5.735 -2.309 1.00 0.00 H new ATOM 0 HA VAL A 72 -12.503 -3.044 -1.578 1.00 0.00 H new ATOM 0 HB VAL A 72 -11.342 -5.257 -2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -11.014 -5.149 -4.998 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -12.730 -5.374 -4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.138 -3.772 -5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.539 -3.830 -3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.668 -2.456 -3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.171 -3.133 -2.000 1.00 0.00 H new ATOM 1213 N ASN A 73 -14.183 -3.322 -4.372 1.00 0.00 N ATOM 1214 CA ASN A 73 -14.921 -2.481 -5.356 1.00 0.00 C ATOM 1215 C ASN A 73 -16.000 -1.663 -4.643 1.00 0.00 C ATOM 1216 O ASN A 73 -16.294 -0.547 -5.017 1.00 0.00 O ATOM 1217 CB ASN A 73 -15.552 -3.478 -6.330 1.00 0.00 C ATOM 1218 CG ASN A 73 -16.306 -2.719 -7.424 1.00 0.00 C ATOM 1219 OD1 ASN A 73 -17.512 -2.823 -7.530 1.00 0.00 O ATOM 1220 ND2 ASN A 73 -15.641 -1.957 -8.248 1.00 0.00 N ATOM 0 H ASN A 73 -14.231 -4.327 -4.538 1.00 0.00 H new ATOM 0 HA ASN A 73 -14.272 -1.770 -5.867 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -14.780 -4.106 -6.775 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.234 -4.141 -5.797 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -16.133 -1.448 -8.982 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -14.629 -1.870 -8.158 1.00 0.00 H new ATOM 1227 N ASP A 74 -16.594 -2.219 -3.624 1.00 0.00 N ATOM 1228 CA ASP A 74 -17.659 -1.494 -2.884 1.00 0.00 C ATOM 1229 C ASP A 74 -17.077 -0.323 -2.089 1.00 0.00 C ATOM 1230 O ASP A 74 -17.549 0.794 -2.162 1.00 0.00 O ATOM 1231 CB ASP A 74 -18.228 -2.536 -1.924 1.00 0.00 C ATOM 1232 CG ASP A 74 -19.245 -1.873 -0.993 1.00 0.00 C ATOM 1233 OD1 ASP A 74 -19.553 -0.714 -1.212 1.00 0.00 O ATOM 1234 OD2 ASP A 74 -19.697 -2.536 -0.074 1.00 0.00 O ATOM 0 H ASP A 74 -16.384 -3.153 -3.271 1.00 0.00 H new ATOM 0 HA ASP A 74 -18.408 -1.075 -3.556 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -18.703 -3.341 -2.485 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -17.424 -2.985 -1.341 1.00 0.00 H new ATOM 1239 N LEU A 75 -16.067 -0.585 -1.313 1.00 0.00 N ATOM 1240 CA LEU A 75 -15.449 0.473 -0.482 1.00 0.00 C ATOM 1241 C LEU A 75 -14.820 1.579 -1.338 1.00 0.00 C ATOM 1242 O LEU A 75 -14.964 2.753 -1.057 1.00 0.00 O ATOM 1243 CB LEU A 75 -14.370 -0.270 0.309 1.00 0.00 C ATOM 1244 CG LEU A 75 -14.447 0.134 1.778 1.00 0.00 C ATOM 1245 CD1 LEU A 75 -14.664 1.639 1.856 1.00 0.00 C ATOM 1246 CD2 LEU A 75 -15.619 -0.588 2.449 1.00 0.00 C ATOM 0 H LEU A 75 -15.638 -1.506 -1.220 1.00 0.00 H new ATOM 0 HA LEU A 75 -16.181 0.975 0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.508 -1.347 0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -13.384 -0.036 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.523 -0.138 2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -14.721 1.945 2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -13.832 2.152 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -15.594 1.899 1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.672 -0.298 3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.549 -0.315 1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -15.472 -1.666 2.377 1.00 0.00 H new ATOM 1258 N ALA A 76 -14.128 1.216 -2.372 1.00 0.00 N ATOM 1259 CA ALA A 76 -13.485 2.237 -3.250 1.00 0.00 C ATOM 1260 C ALA A 76 -14.567 3.070 -3.919 1.00 0.00 C ATOM 1261 O ALA A 76 -14.443 4.265 -4.105 1.00 0.00 O ATOM 1262 CB ALA A 76 -12.696 1.437 -4.287 1.00 0.00 C ATOM 0 H ALA A 76 -13.975 0.248 -2.655 1.00 0.00 H new ATOM 0 HA ALA A 76 -12.836 2.920 -2.701 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.194 2.122 -4.970 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -11.953 0.819 -3.782 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.377 0.798 -4.849 1.00 0.00 H new ATOM 1268 N ARG A 77 -15.624 2.421 -4.287 1.00 0.00 N ATOM 1269 CA ARG A 77 -16.754 3.101 -4.958 1.00 0.00 C ATOM 1270 C ARG A 77 -17.276 4.261 -4.094 1.00 0.00 C ATOM 1271 O ARG A 77 -17.566 5.332 -4.589 1.00 0.00 O ATOM 1272 CB ARG A 77 -17.777 1.963 -5.096 1.00 0.00 C ATOM 1273 CG ARG A 77 -19.156 2.396 -4.596 1.00 0.00 C ATOM 1274 CD ARG A 77 -19.736 3.452 -5.542 1.00 0.00 C ATOM 1275 NE ARG A 77 -19.852 2.764 -6.858 1.00 0.00 N ATOM 1276 CZ ARG A 77 -20.035 3.462 -7.944 1.00 0.00 C ATOM 1277 NH1 ARG A 77 -21.219 3.932 -8.225 1.00 0.00 N ATOM 1278 NH2 ARG A 77 -19.035 3.692 -8.750 1.00 0.00 N ATOM 0 H ARG A 77 -15.756 1.419 -4.147 1.00 0.00 H new ATOM 0 HA ARG A 77 -16.504 3.562 -5.914 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.845 1.656 -6.140 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -17.438 1.095 -4.530 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -19.822 1.535 -4.543 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -19.078 2.801 -3.587 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -20.707 3.804 -5.193 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -19.085 4.324 -5.608 1.00 0.00 H new ATOM 0 HE ARG A 77 -19.788 1.747 -6.910 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -22.001 3.753 -7.595 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -21.363 4.478 -9.074 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -18.109 3.326 -8.531 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -19.180 4.238 -9.599 1.00 0.00 H new ATOM 1292 N GLU A 78 -17.405 4.054 -2.812 1.00 0.00 N ATOM 1293 CA GLU A 78 -17.918 5.142 -1.928 1.00 0.00 C ATOM 1294 C GLU A 78 -16.880 6.261 -1.788 1.00 0.00 C ATOM 1295 O GLU A 78 -17.200 7.430 -1.868 1.00 0.00 O ATOM 1296 CB GLU A 78 -18.159 4.476 -0.573 1.00 0.00 C ATOM 1297 CG GLU A 78 -18.841 3.120 -0.775 1.00 0.00 C ATOM 1298 CD GLU A 78 -19.743 2.821 0.423 1.00 0.00 C ATOM 1299 OE1 GLU A 78 -19.330 3.106 1.535 1.00 0.00 O ATOM 1300 OE2 GLU A 78 -20.830 2.312 0.209 1.00 0.00 O ATOM 0 H GLU A 78 -17.178 3.180 -2.338 1.00 0.00 H new ATOM 0 HA GLU A 78 -18.822 5.597 -2.332 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -17.212 4.343 -0.050 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -18.781 5.117 0.052 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -19.429 3.129 -1.693 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -18.091 2.336 -0.884 1.00 0.00 H new ATOM 1307 N LEU A 79 -15.643 5.913 -1.565 1.00 0.00 N ATOM 1308 CA LEU A 79 -14.589 6.957 -1.405 1.00 0.00 C ATOM 1309 C LEU A 79 -14.552 7.887 -2.622 1.00 0.00 C ATOM 1310 O LEU A 79 -14.354 9.078 -2.497 1.00 0.00 O ATOM 1311 CB LEU A 79 -13.279 6.180 -1.287 1.00 0.00 C ATOM 1312 CG LEU A 79 -13.167 5.579 0.115 1.00 0.00 C ATOM 1313 CD1 LEU A 79 -11.890 4.745 0.212 1.00 0.00 C ATOM 1314 CD2 LEU A 79 -13.117 6.706 1.147 1.00 0.00 C ATOM 0 H LEU A 79 -15.315 4.950 -1.486 1.00 0.00 H new ATOM 0 HA LEU A 79 -14.774 7.590 -0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -13.244 5.390 -2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.433 6.840 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 79 -14.031 4.944 0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -11.810 4.317 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.923 3.943 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.025 5.380 0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -13.037 6.280 2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.252 7.340 0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -14.026 7.303 1.078 1.00 0.00 H new ATOM 1326 N ARG A 80 -14.734 7.353 -3.797 1.00 0.00 N ATOM 1327 CA ARG A 80 -14.699 8.208 -5.018 1.00 0.00 C ATOM 1328 C ARG A 80 -15.893 9.168 -5.036 1.00 0.00 C ATOM 1329 O ARG A 80 -15.841 10.228 -5.628 1.00 0.00 O ATOM 1330 CB ARG A 80 -14.784 7.229 -6.187 1.00 0.00 C ATOM 1331 CG ARG A 80 -14.961 8.008 -7.491 1.00 0.00 C ATOM 1332 CD ARG A 80 -13.923 9.129 -7.559 1.00 0.00 C ATOM 1333 NE ARG A 80 -14.255 9.886 -8.796 1.00 0.00 N ATOM 1334 CZ ARG A 80 -15.087 10.890 -8.744 1.00 0.00 C ATOM 1335 NH1 ARG A 80 -15.001 11.760 -7.774 1.00 0.00 N ATOM 1336 NH2 ARG A 80 -16.004 11.025 -9.662 1.00 0.00 N ATOM 0 H ARG A 80 -14.906 6.362 -3.966 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.800 8.823 -5.062 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.880 6.622 -6.233 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -15.620 6.545 -6.043 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.847 7.340 -8.345 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -15.967 8.425 -7.545 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -13.975 9.769 -6.678 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -12.911 8.727 -7.602 1.00 0.00 H new ATOM 0 HE ARG A 80 -13.832 9.620 -9.685 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.283 11.655 -7.057 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -15.651 12.545 -7.734 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -16.071 10.346 -10.420 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -16.654 11.810 -9.622 1.00 0.00 H new ATOM 1350 N ILE A 81 -16.970 8.802 -4.400 1.00 0.00 N ATOM 1351 CA ILE A 81 -18.167 9.690 -4.390 1.00 0.00 C ATOM 1352 C ILE A 81 -17.890 10.956 -3.567 1.00 0.00 C ATOM 1353 O ILE A 81 -18.603 11.935 -3.671 1.00 0.00 O ATOM 1354 CB ILE A 81 -19.280 8.849 -3.753 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -19.886 7.927 -4.819 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -20.372 9.767 -3.196 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -21.202 7.338 -4.305 1.00 0.00 C ATOM 0 H ILE A 81 -17.074 7.927 -3.887 1.00 0.00 H new ATOM 0 HA ILE A 81 -18.440 10.028 -5.390 1.00 0.00 H new ATOM 0 HB ILE A 81 -18.864 8.254 -2.940 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -20.061 8.485 -5.739 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -19.187 7.126 -5.060 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -21.160 9.163 -2.745 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -19.943 10.426 -2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -20.792 10.365 -4.005 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -21.629 6.684 -5.065 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -21.014 6.765 -3.397 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -21.901 8.145 -4.086 1.00 0.00 H new ATOM 1369 N ARG A 82 -16.876 10.949 -2.744 1.00 0.00 N ATOM 1370 CA ARG A 82 -16.594 12.164 -1.922 1.00 0.00 C ATOM 1371 C ARG A 82 -15.966 13.266 -2.764 1.00 0.00 C ATOM 1372 O ARG A 82 -15.419 13.039 -3.825 1.00 0.00 O ATOM 1373 CB ARG A 82 -15.618 11.730 -0.839 1.00 0.00 C ATOM 1374 CG ARG A 82 -15.113 12.962 -0.085 1.00 0.00 C ATOM 1375 CD ARG A 82 -14.424 12.521 1.209 1.00 0.00 C ATOM 1376 NE ARG A 82 -15.400 12.839 2.289 1.00 0.00 N ATOM 1377 CZ ARG A 82 -15.043 13.599 3.289 1.00 0.00 C ATOM 1378 NH1 ARG A 82 -14.189 14.567 3.103 1.00 0.00 N ATOM 1379 NH2 ARG A 82 -15.546 13.392 4.475 1.00 0.00 N ATOM 0 H ARG A 82 -16.237 10.166 -2.605 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.518 12.564 -1.504 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.106 11.043 -0.148 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.780 11.193 -1.283 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.416 13.523 -0.708 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.945 13.629 0.142 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.189 11.457 1.189 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -13.484 13.052 1.357 1.00 0.00 H new ATOM 0 HE ARG A 82 -16.347 12.463 2.247 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -13.799 14.732 2.175 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -13.911 15.160 3.885 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -16.217 12.637 4.620 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -15.268 13.985 5.257 1.00 0.00 H new ATOM 1393 N ASP A 83 -16.053 14.462 -2.275 1.00 0.00 N ATOM 1394 CA ASP A 83 -15.478 15.634 -3.000 1.00 0.00 C ATOM 1395 C ASP A 83 -13.948 15.657 -2.897 1.00 0.00 C ATOM 1396 O ASP A 83 -13.253 15.863 -3.872 1.00 0.00 O ATOM 1397 CB ASP A 83 -16.079 16.857 -2.308 1.00 0.00 C ATOM 1398 CG ASP A 83 -15.784 18.109 -3.136 1.00 0.00 C ATOM 1399 OD1 ASP A 83 -15.669 17.983 -4.344 1.00 0.00 O ATOM 1400 OD2 ASP A 83 -15.677 19.173 -2.548 1.00 0.00 O ATOM 0 H ASP A 83 -16.505 14.689 -1.389 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.710 15.602 -4.064 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -17.155 16.730 -2.192 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -15.661 16.963 -1.307 1.00 0.00 H new ATOM 1405 N ASN A 84 -13.425 15.478 -1.714 1.00 0.00 N ATOM 1406 CA ASN A 84 -11.943 15.521 -1.526 1.00 0.00 C ATOM 1407 C ASN A 84 -11.265 14.292 -2.138 1.00 0.00 C ATOM 1408 O ASN A 84 -10.113 14.341 -2.521 1.00 0.00 O ATOM 1409 CB ASN A 84 -11.744 15.546 -0.011 1.00 0.00 C ATOM 1410 CG ASN A 84 -12.692 16.575 0.609 1.00 0.00 C ATOM 1411 OD1 ASN A 84 -13.864 16.307 0.788 1.00 0.00 O ATOM 1412 ND2 ASN A 84 -12.235 17.752 0.942 1.00 0.00 N ATOM 0 H ASN A 84 -13.962 15.303 -0.865 1.00 0.00 H new ATOM 0 HA ASN A 84 -11.499 16.385 -2.020 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.937 14.559 0.409 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -10.710 15.797 0.227 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.861 18.445 1.352 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.252 17.978 0.792 1.00 0.00 H new ATOM 1419 N VAL A 85 -11.955 13.190 -2.233 1.00 0.00 N ATOM 1420 CA VAL A 85 -11.323 11.976 -2.821 1.00 0.00 C ATOM 1421 C VAL A 85 -11.367 12.057 -4.348 1.00 0.00 C ATOM 1422 O VAL A 85 -12.398 12.317 -4.937 1.00 0.00 O ATOM 1423 CB VAL A 85 -12.158 10.802 -2.310 1.00 0.00 C ATOM 1424 CG1 VAL A 85 -11.922 9.578 -3.197 1.00 0.00 C ATOM 1425 CG2 VAL A 85 -11.744 10.473 -0.874 1.00 0.00 C ATOM 0 H VAL A 85 -12.923 13.077 -1.931 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.275 11.871 -2.539 1.00 0.00 H new ATOM 0 HB VAL A 85 -13.214 11.071 -2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.518 8.743 -2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.213 9.810 -4.222 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -10.866 9.309 -3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -12.338 9.636 -0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.688 10.206 -0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.911 11.343 -0.239 1.00 0.00 H new ATOM 1435 N ARG A 86 -10.255 11.842 -4.992 1.00 0.00 N ATOM 1436 CA ARG A 86 -10.231 11.915 -6.479 1.00 0.00 C ATOM 1437 C ARG A 86 -10.313 10.509 -7.081 1.00 0.00 C ATOM 1438 O ARG A 86 -10.930 10.300 -8.106 1.00 0.00 O ATOM 1439 CB ARG A 86 -8.889 12.565 -6.815 1.00 0.00 C ATOM 1440 CG ARG A 86 -9.070 13.541 -7.977 1.00 0.00 C ATOM 1441 CD ARG A 86 -8.986 12.777 -9.299 1.00 0.00 C ATOM 1442 NE ARG A 86 -9.438 13.749 -10.331 1.00 0.00 N ATOM 1443 CZ ARG A 86 -9.454 13.404 -11.588 1.00 0.00 C ATOM 1444 NH1 ARG A 86 -8.766 12.370 -11.988 1.00 0.00 N ATOM 1445 NH2 ARG A 86 -10.158 14.092 -12.445 1.00 0.00 N ATOM 0 H ARG A 86 -9.362 11.619 -4.553 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.073 12.479 -6.881 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.499 13.090 -5.943 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.159 11.800 -7.079 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.033 14.045 -7.896 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.302 14.313 -7.941 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.969 12.437 -9.495 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.621 11.891 -9.285 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.735 14.685 -10.055 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.216 11.833 -11.317 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.778 12.099 -12.971 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.696 14.900 -12.131 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.170 13.822 -13.428 1.00 0.00 H new ATOM 1459 N ARG A 87 -9.692 9.547 -6.455 1.00 0.00 N ATOM 1460 CA ARG A 87 -9.733 8.163 -6.996 1.00 0.00 C ATOM 1461 C ARG A 87 -9.202 7.177 -5.944 1.00 0.00 C ATOM 1462 O ARG A 87 -8.456 7.541 -5.057 1.00 0.00 O ATOM 1463 CB ARG A 87 -8.830 8.223 -8.241 1.00 0.00 C ATOM 1464 CG ARG A 87 -7.929 6.988 -8.327 1.00 0.00 C ATOM 1465 CD ARG A 87 -7.594 6.699 -9.793 1.00 0.00 C ATOM 1466 NE ARG A 87 -6.153 7.051 -9.936 1.00 0.00 N ATOM 1467 CZ ARG A 87 -5.454 6.547 -10.916 1.00 0.00 C ATOM 1468 NH1 ARG A 87 -6.008 6.354 -12.082 1.00 0.00 N ATOM 1469 NH2 ARG A 87 -4.200 6.236 -10.731 1.00 0.00 N ATOM 0 H ARG A 87 -9.159 9.661 -5.593 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.737 7.820 -7.247 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.446 8.291 -9.138 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.216 9.123 -8.206 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.013 7.153 -7.760 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.429 6.128 -7.881 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.771 5.652 -10.039 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.214 7.293 -10.464 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.714 7.685 -9.269 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.988 6.597 -12.228 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.461 5.960 -12.848 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.766 6.387 -9.820 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.654 5.842 -11.497 1.00 0.00 H new ATOM 1483 N VAL A 88 -9.581 5.932 -6.043 1.00 0.00 N ATOM 1484 CA VAL A 88 -9.097 4.922 -5.056 1.00 0.00 C ATOM 1485 C VAL A 88 -8.385 3.780 -5.789 1.00 0.00 C ATOM 1486 O VAL A 88 -8.931 3.174 -6.689 1.00 0.00 O ATOM 1487 CB VAL A 88 -10.361 4.412 -4.357 1.00 0.00 C ATOM 1488 CG1 VAL A 88 -9.976 3.698 -3.060 1.00 0.00 C ATOM 1489 CG2 VAL A 88 -11.279 5.593 -4.029 1.00 0.00 C ATOM 0 H VAL A 88 -10.205 5.569 -6.764 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.384 5.340 -4.345 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.881 3.718 -5.017 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.876 3.335 -2.563 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -9.323 2.856 -3.288 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.454 4.394 -2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -12.178 5.228 -3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -10.757 6.288 -3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.557 6.105 -4.950 1.00 0.00 H new ATOM 1499 N MET A 89 -7.167 3.488 -5.420 1.00 0.00 N ATOM 1500 CA MET A 89 -6.423 2.391 -6.106 1.00 0.00 C ATOM 1501 C MET A 89 -6.177 1.223 -5.146 1.00 0.00 C ATOM 1502 O MET A 89 -5.649 1.395 -4.066 1.00 0.00 O ATOM 1503 CB MET A 89 -5.096 3.019 -6.536 1.00 0.00 C ATOM 1504 CG MET A 89 -5.148 3.357 -8.027 1.00 0.00 C ATOM 1505 SD MET A 89 -3.508 3.887 -8.584 1.00 0.00 S ATOM 1506 CE MET A 89 -2.657 2.310 -8.332 1.00 0.00 C ATOM 0 H MET A 89 -6.655 3.960 -4.675 1.00 0.00 H new ATOM 0 HA MET A 89 -6.980 1.988 -6.952 1.00 0.00 H new ATOM 0 HB2 MET A 89 -4.904 3.921 -5.955 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.275 2.330 -6.337 1.00 0.00 H new ATOM 0 HG2 MET A 89 -5.474 2.487 -8.597 1.00 0.00 H new ATOM 0 HG3 MET A 89 -5.878 4.147 -8.206 1.00 0.00 H new ATOM 0 HE1 MET A 89 -1.868 2.199 -9.076 1.00 0.00 H new ATOM 0 HE2 MET A 89 -2.220 2.288 -7.334 1.00 0.00 H new ATOM 0 HE3 MET A 89 -3.370 1.492 -8.434 1.00 0.00 H new ATOM 1516 N VAL A 90 -6.553 0.036 -5.536 1.00 0.00 N ATOM 1517 CA VAL A 90 -6.340 -1.147 -4.653 1.00 0.00 C ATOM 1518 C VAL A 90 -5.553 -2.227 -5.402 1.00 0.00 C ATOM 1519 O VAL A 90 -5.937 -2.657 -6.471 1.00 0.00 O ATOM 1520 CB VAL A 90 -7.744 -1.647 -4.316 1.00 0.00 C ATOM 1521 CG1 VAL A 90 -7.646 -3.006 -3.621 1.00 0.00 C ATOM 1522 CG2 VAL A 90 -8.433 -0.647 -3.386 1.00 0.00 C ATOM 0 H VAL A 90 -7.000 -0.167 -6.430 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.770 -0.898 -3.758 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.324 -1.748 -5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.647 -3.364 -3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.155 -3.719 -4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.066 -2.905 -2.704 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.435 -1.004 -3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.854 -0.545 -2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.502 0.322 -3.881 1.00 0.00 H new ATOM 1532 N VAL A 91 -4.452 -2.666 -4.853 1.00 0.00 N ATOM 1533 CA VAL A 91 -3.644 -3.710 -5.539 1.00 0.00 C ATOM 1534 C VAL A 91 -3.429 -4.911 -4.613 1.00 0.00 C ATOM 1535 O VAL A 91 -3.424 -4.782 -3.405 1.00 0.00 O ATOM 1536 CB VAL A 91 -2.314 -3.026 -5.837 1.00 0.00 C ATOM 1537 CG1 VAL A 91 -2.569 -1.697 -6.550 1.00 0.00 C ATOM 1538 CG2 VAL A 91 -1.574 -2.765 -4.524 1.00 0.00 C ATOM 0 H VAL A 91 -4.079 -2.346 -3.959 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.129 -4.089 -6.439 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.710 -3.669 -6.477 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.617 -1.210 -6.762 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.099 -1.881 -7.485 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.173 -1.052 -5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.623 -2.276 -4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.180 -2.121 -3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.391 -3.711 -4.015 1.00 0.00 H new ATOM 1548 N LYS A 92 -3.243 -6.076 -5.171 1.00 0.00 N ATOM 1549 CA LYS A 92 -3.021 -7.282 -4.321 1.00 0.00 C ATOM 1550 C LYS A 92 -1.680 -7.166 -3.594 1.00 0.00 C ATOM 1551 O LYS A 92 -0.742 -6.573 -4.091 1.00 0.00 O ATOM 1552 CB LYS A 92 -3.003 -8.458 -5.298 1.00 0.00 C ATOM 1553 CG LYS A 92 -4.310 -9.243 -5.179 1.00 0.00 C ATOM 1554 CD LYS A 92 -4.118 -10.646 -5.758 1.00 0.00 C ATOM 1555 CE LYS A 92 -3.370 -11.519 -4.747 1.00 0.00 C ATOM 1556 NZ LYS A 92 -4.439 -12.190 -3.956 1.00 0.00 N ATOM 0 H LYS A 92 -3.235 -6.246 -6.177 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.790 -7.402 -3.558 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.877 -8.095 -6.318 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.155 -9.109 -5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.614 -9.308 -4.134 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -5.108 -8.725 -5.711 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.086 -11.090 -5.992 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.558 -10.592 -6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.733 -12.248 -5.249 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.724 -10.918 -4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -4.005 -12.807 -3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -5.025 -11.472 -3.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -5.034 -12.760 -4.590 1.00 0.00 H new ATOM 1570 N SER A 93 -1.577 -7.727 -2.420 1.00 0.00 N ATOM 1571 CA SER A 93 -0.293 -7.642 -1.666 1.00 0.00 C ATOM 1572 C SER A 93 0.284 -9.043 -1.438 1.00 0.00 C ATOM 1573 O SER A 93 -0.248 -10.028 -1.908 1.00 0.00 O ATOM 1574 CB SER A 93 -0.657 -6.989 -0.334 1.00 0.00 C ATOM 1575 OG SER A 93 0.307 -5.992 -0.023 1.00 0.00 O ATOM 0 H SER A 93 -2.324 -8.239 -1.951 1.00 0.00 H new ATOM 0 HA SER A 93 0.464 -7.073 -2.206 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.651 -6.545 -0.393 1.00 0.00 H new ATOM 0 HB3 SER A 93 -0.689 -7.740 0.456 1.00 0.00 H new ATOM 0 HG SER A 93 0.461 -5.429 -0.810 1.00 0.00 H new