USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=10 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN :FLIP amide:sc= -1.43 F(o=-4!,f=-1.4) USER MOD Single : A 11 ASN : amide:sc= -0.0558 K(o=-0.056,f=-0.82) USER MOD Single : A 13 ASN : amide:sc= -0.0475 X(o=-0.047,f=0) USER MOD Single : A 16 GLN : amide:sc= -1.26 K(o=-1.3,f=-4.8!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.888 X(o=-0.89,f=-0.42) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.296 X(o=-0.3,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.0228 X(o=-0.023,f=-0.28) USER MOD Single : A 33 TYR OH : rot 114:sc= 1.01 USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= 0.101 (180deg=0.0535) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot -30:sc= -4.64! USER MOD Single : A 64 GLN :FLIP amide:sc= -0.605 F(o=-1.9!,f=-0.6) USER MOD Single : A 67 MET CE :methyl -156:sc= -5.23! (180deg=-8.4!) USER MOD Single : A 73 ASN : amide:sc= -1.32! C(o=-1.3!,f=-4.8!) USER MOD Single : A 84 ASN : amide:sc= 0.814 K(o=0.81,f=-2.8!) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 149:sc= 0.169 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.162 -14.010 3.128 1.00 0.00 N ATOM 2 CA MET A 1 -7.276 -13.351 4.132 1.00 0.00 C ATOM 3 C MET A 1 -6.091 -12.679 3.433 1.00 0.00 C ATOM 4 O MET A 1 -4.955 -13.078 3.592 1.00 0.00 O ATOM 5 CB MET A 1 -6.791 -14.483 5.038 1.00 0.00 C ATOM 6 CG MET A 1 -6.126 -13.893 6.283 1.00 0.00 C ATOM 7 SD MET A 1 -5.002 -15.116 7.002 1.00 0.00 S ATOM 8 CE MET A 1 -5.505 -14.905 8.727 1.00 0.00 C ATOM 0 H1 MET A 1 -8.962 -14.462 3.615 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.521 -13.297 2.461 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.621 -14.730 2.608 1.00 0.00 H new ATOM 0 HA MET A 1 -7.796 -12.574 4.693 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.630 -15.116 5.327 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.084 -15.115 4.501 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.577 -12.988 6.021 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.884 -13.606 7.012 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.926 -15.578 9.360 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.327 -13.875 9.035 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.566 -15.135 8.827 1.00 0.00 H new ATOM 20 N ARG A 2 -6.349 -11.659 2.661 1.00 0.00 N ATOM 21 CA ARG A 2 -5.239 -10.958 1.954 1.00 0.00 C ATOM 22 C ARG A 2 -5.280 -9.462 2.271 1.00 0.00 C ATOM 23 O ARG A 2 -6.324 -8.906 2.547 1.00 0.00 O ATOM 24 CB ARG A 2 -5.504 -11.200 0.467 1.00 0.00 C ATOM 25 CG ARG A 2 -4.401 -12.089 -0.113 1.00 0.00 C ATOM 26 CD ARG A 2 -4.895 -13.536 -0.194 1.00 0.00 C ATOM 27 NE ARG A 2 -5.849 -13.555 -1.337 1.00 0.00 N ATOM 28 CZ ARG A 2 -6.995 -14.171 -1.221 1.00 0.00 C ATOM 29 NH1 ARG A 2 -7.757 -13.941 -0.185 1.00 0.00 N ATOM 30 NH2 ARG A 2 -7.378 -15.016 -2.138 1.00 0.00 N ATOM 0 H ARG A 2 -7.280 -11.280 2.489 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.257 -11.322 2.256 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.476 -11.675 0.333 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.537 -10.250 -0.066 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.119 -11.735 -1.104 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.509 -12.033 0.511 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.068 -14.227 -0.359 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.383 -13.839 0.732 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.608 -13.087 -2.211 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.457 -13.281 0.532 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.652 -14.422 -0.094 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -6.782 -15.196 -2.946 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.273 -15.497 -2.047 1.00 0.00 H new ATOM 44 N ARG A 3 -4.153 -8.804 2.236 1.00 0.00 N ATOM 45 CA ARG A 3 -4.138 -7.343 2.534 1.00 0.00 C ATOM 46 C ARG A 3 -3.943 -6.546 1.244 1.00 0.00 C ATOM 47 O ARG A 3 -3.373 -7.029 0.286 1.00 0.00 O ATOM 48 CB ARG A 3 -2.951 -7.137 3.479 1.00 0.00 C ATOM 49 CG ARG A 3 -3.114 -8.031 4.712 1.00 0.00 C ATOM 50 CD ARG A 3 -2.217 -9.264 4.571 1.00 0.00 C ATOM 51 NE ARG A 3 -1.247 -9.167 5.696 1.00 0.00 N ATOM 52 CZ ARG A 3 -1.677 -9.024 6.920 1.00 0.00 C ATOM 53 NH1 ARG A 3 -2.934 -9.237 7.200 1.00 0.00 N ATOM 54 NH2 ARG A 3 -0.850 -8.672 7.866 1.00 0.00 N ATOM 0 H ARG A 3 -3.245 -9.213 2.015 1.00 0.00 H new ATOM 0 HA ARG A 3 -5.073 -7.004 2.981 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -2.019 -7.375 2.966 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.891 -6.091 3.781 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.850 -7.477 5.613 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.155 -8.336 4.818 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.799 -10.184 4.630 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.705 -9.272 3.609 1.00 0.00 H new ATOM 0 HE ARG A 3 -0.245 -9.212 5.510 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -3.581 -9.515 6.462 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.269 -9.125 8.157 1.00 0.00 H new ATOM 0 HH21 ARG A 3 0.133 -8.508 7.649 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -1.187 -8.560 8.822 1.00 0.00 H new ATOM 68 N TYR A 4 -4.419 -5.330 1.203 1.00 0.00 N ATOM 69 CA TYR A 4 -4.266 -4.516 -0.027 1.00 0.00 C ATOM 70 C TYR A 4 -3.795 -3.109 0.323 1.00 0.00 C ATOM 71 O TYR A 4 -3.861 -2.683 1.459 1.00 0.00 O ATOM 72 CB TYR A 4 -5.662 -4.460 -0.632 1.00 0.00 C ATOM 73 CG TYR A 4 -6.152 -5.858 -0.922 1.00 0.00 C ATOM 74 CD1 TYR A 4 -6.558 -6.688 0.128 1.00 0.00 C ATOM 75 CD2 TYR A 4 -6.201 -6.322 -2.242 1.00 0.00 C ATOM 76 CE1 TYR A 4 -7.016 -7.984 -0.141 1.00 0.00 C ATOM 77 CE2 TYR A 4 -6.657 -7.618 -2.512 1.00 0.00 C ATOM 78 CZ TYR A 4 -7.065 -8.448 -1.461 1.00 0.00 C ATOM 79 OH TYR A 4 -7.516 -9.725 -1.726 1.00 0.00 O ATOM 0 H TYR A 4 -4.907 -4.869 1.971 1.00 0.00 H new ATOM 0 HA TYR A 4 -3.531 -4.941 -0.711 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.346 -3.961 0.055 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.647 -3.873 -1.550 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.518 -6.330 1.146 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -5.887 -5.680 -3.052 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.331 -8.625 0.669 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -6.694 -7.977 -3.530 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.487 -9.888 -2.692 1.00 0.00 H new ATOM 89 N GLU A 5 -3.331 -2.383 -0.648 1.00 0.00 N ATOM 90 CA GLU A 5 -2.868 -0.995 -0.382 1.00 0.00 C ATOM 91 C GLU A 5 -3.782 -0.009 -1.109 1.00 0.00 C ATOM 92 O GLU A 5 -4.127 -0.205 -2.257 1.00 0.00 O ATOM 93 CB GLU A 5 -1.448 -0.938 -0.945 1.00 0.00 C ATOM 94 CG GLU A 5 -0.671 -2.186 -0.516 1.00 0.00 C ATOM 95 CD GLU A 5 -0.164 -2.923 -1.757 1.00 0.00 C ATOM 96 OE1 GLU A 5 -0.986 -3.301 -2.575 1.00 0.00 O ATOM 97 OE2 GLU A 5 1.039 -3.098 -1.868 1.00 0.00 O ATOM 0 H GLU A 5 -3.251 -2.689 -1.618 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.888 -0.735 0.676 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -1.480 -0.874 -2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.941 -0.042 -0.588 1.00 0.00 H new ATOM 0 HG2 GLU A 5 0.168 -1.904 0.121 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.312 -2.842 0.073 1.00 0.00 H new ATOM 104 N VAL A 6 -4.189 1.043 -0.456 1.00 0.00 N ATOM 105 CA VAL A 6 -5.094 2.020 -1.134 1.00 0.00 C ATOM 106 C VAL A 6 -4.377 3.349 -1.372 1.00 0.00 C ATOM 107 O VAL A 6 -3.985 4.028 -0.444 1.00 0.00 O ATOM 108 CB VAL A 6 -6.268 2.223 -0.175 1.00 0.00 C ATOM 109 CG1 VAL A 6 -7.460 2.806 -0.938 1.00 0.00 C ATOM 110 CG2 VAL A 6 -6.672 0.882 0.446 1.00 0.00 C ATOM 0 H VAL A 6 -3.939 1.270 0.507 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.417 1.653 -2.108 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.967 2.911 0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.295 2.950 -0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.179 3.765 -1.374 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.755 2.119 -1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.509 1.034 1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.968 0.190 -0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.827 0.466 0.995 1.00 0.00 H new ATOM 120 N ASN A 7 -4.218 3.735 -2.608 1.00 0.00 N ATOM 121 CA ASN A 7 -3.544 5.026 -2.907 1.00 0.00 C ATOM 122 C ASN A 7 -4.602 6.096 -3.197 1.00 0.00 C ATOM 123 O ASN A 7 -5.106 6.200 -4.298 1.00 0.00 O ATOM 124 CB ASN A 7 -2.692 4.748 -4.147 1.00 0.00 C ATOM 125 CG ASN A 7 -2.330 6.068 -4.827 1.00 0.00 C ATOM 126 OD1 ASN A 7 -2.312 7.166 -4.123 1.00 0.00 O flip ATOM 127 ND2 ASN A 7 -2.056 6.101 -6.010 1.00 0.00 N flip ATOM 0 H ASN A 7 -4.528 3.209 -3.425 1.00 0.00 H new ATOM 0 HA ASN A 7 -2.936 5.391 -2.079 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -1.786 4.212 -3.865 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.238 4.108 -4.840 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.070 5.243 -6.561 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.812 6.987 -6.452 1.00 0.00 H new ATOM 134 N ILE A 8 -4.948 6.883 -2.216 1.00 0.00 N ATOM 135 CA ILE A 8 -5.981 7.934 -2.436 1.00 0.00 C ATOM 136 C ILE A 8 -5.333 9.318 -2.534 1.00 0.00 C ATOM 137 O ILE A 8 -4.459 9.662 -1.764 1.00 0.00 O ATOM 138 CB ILE A 8 -6.891 7.849 -1.210 1.00 0.00 C ATOM 139 CG1 ILE A 8 -7.355 6.403 -1.024 1.00 0.00 C ATOM 140 CG2 ILE A 8 -8.107 8.753 -1.413 1.00 0.00 C ATOM 141 CD1 ILE A 8 -7.962 6.234 0.371 1.00 0.00 C ATOM 0 H ILE A 8 -4.561 6.844 -1.273 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.529 7.784 -3.366 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.343 8.173 -0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.091 6.146 -1.786 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.514 5.721 -1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.756 8.692 -0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.776 9.783 -1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.657 8.429 -2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.292 5.203 0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.213 6.474 1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.814 6.905 0.481 1.00 0.00 H new ATOM 153 N VAL A 9 -5.760 10.113 -3.478 1.00 0.00 N ATOM 154 CA VAL A 9 -5.179 11.475 -3.636 1.00 0.00 C ATOM 155 C VAL A 9 -6.218 12.534 -3.254 1.00 0.00 C ATOM 156 O VAL A 9 -7.396 12.378 -3.505 1.00 0.00 O ATOM 157 CB VAL A 9 -4.827 11.575 -5.119 1.00 0.00 C ATOM 158 CG1 VAL A 9 -4.092 10.307 -5.556 1.00 0.00 C ATOM 159 CG2 VAL A 9 -6.110 11.726 -5.939 1.00 0.00 C ATOM 0 H VAL A 9 -6.490 9.875 -4.149 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.310 11.639 -2.998 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.186 12.442 -5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.841 10.378 -6.614 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.178 10.197 -4.973 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.733 9.440 -5.393 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.859 11.797 -6.997 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.750 10.859 -5.776 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.636 12.629 -5.629 1.00 0.00 H new ATOM 169 N LEU A 10 -5.791 13.610 -2.649 1.00 0.00 N ATOM 170 CA LEU A 10 -6.756 14.674 -2.253 1.00 0.00 C ATOM 171 C LEU A 10 -6.357 16.011 -2.885 1.00 0.00 C ATOM 172 O LEU A 10 -5.193 16.279 -3.106 1.00 0.00 O ATOM 173 CB LEU A 10 -6.658 14.746 -0.730 1.00 0.00 C ATOM 174 CG LEU A 10 -7.408 13.564 -0.114 1.00 0.00 C ATOM 175 CD1 LEU A 10 -6.514 12.873 0.918 1.00 0.00 C ATOM 176 CD2 LEU A 10 -8.678 14.070 0.573 1.00 0.00 C ATOM 0 H LEU A 10 -4.817 13.797 -2.412 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.771 14.459 -2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.613 14.728 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.080 15.685 -0.372 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.674 12.855 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.049 12.031 1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.607 12.513 0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.248 13.582 1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.214 13.229 1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.410 14.779 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.316 14.563 -0.160 1.00 0.00 H new ATOM 188 N ASN A 11 -7.312 16.850 -3.180 1.00 0.00 N ATOM 189 CA ASN A 11 -6.984 18.166 -3.800 1.00 0.00 C ATOM 190 C ASN A 11 -6.122 19.002 -2.846 1.00 0.00 C ATOM 191 O ASN A 11 -6.466 19.179 -1.693 1.00 0.00 O ATOM 192 CB ASN A 11 -8.335 18.842 -4.037 1.00 0.00 C ATOM 193 CG ASN A 11 -8.940 18.331 -5.347 1.00 0.00 C ATOM 194 OD1 ASN A 11 -8.259 18.243 -6.350 1.00 0.00 O ATOM 195 ND2 ASN A 11 -10.198 17.988 -5.381 1.00 0.00 N ATOM 0 H ASN A 11 -8.305 16.682 -3.019 1.00 0.00 H new ATOM 0 HA ASN A 11 -6.417 18.056 -4.724 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.009 18.632 -3.207 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.210 19.924 -4.080 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.610 17.646 -6.249 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.770 18.062 -4.539 1.00 0.00 H new ATOM 202 N PRO A 12 -5.025 19.486 -3.362 1.00 0.00 N ATOM 203 CA PRO A 12 -4.101 20.311 -2.553 1.00 0.00 C ATOM 204 C PRO A 12 -4.599 21.753 -2.480 1.00 0.00 C ATOM 205 O PRO A 12 -3.859 22.691 -2.697 1.00 0.00 O ATOM 206 CB PRO A 12 -2.786 20.227 -3.319 1.00 0.00 C ATOM 207 CG PRO A 12 -3.169 19.931 -4.739 1.00 0.00 C ATOM 208 CD PRO A 12 -4.549 19.315 -4.734 1.00 0.00 C ATOM 0 HA PRO A 12 -4.011 19.970 -1.522 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.230 21.162 -3.249 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.145 19.444 -2.914 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.162 20.845 -5.333 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.450 19.250 -5.193 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.207 19.812 -5.447 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.514 18.262 -5.013 1.00 0.00 H new ATOM 216 N ASN A 13 -5.851 21.931 -2.176 1.00 0.00 N ATOM 217 CA ASN A 13 -6.412 23.310 -2.085 1.00 0.00 C ATOM 218 C ASN A 13 -6.635 23.692 -0.621 1.00 0.00 C ATOM 219 O ASN A 13 -6.666 24.856 -0.269 1.00 0.00 O ATOM 220 CB ASN A 13 -7.748 23.241 -2.827 1.00 0.00 C ATOM 221 CG ASN A 13 -8.125 24.634 -3.334 1.00 0.00 C ATOM 222 OD1 ASN A 13 -9.126 25.189 -2.928 1.00 0.00 O ATOM 223 ND2 ASN A 13 -7.362 25.225 -4.212 1.00 0.00 N ATOM 0 H ASN A 13 -6.515 21.180 -1.985 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.744 24.058 -2.512 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.676 22.546 -3.663 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.525 22.862 -2.163 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.606 26.153 -4.557 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.521 24.759 -4.553 1.00 0.00 H new ATOM 230 N LEU A 14 -6.792 22.722 0.236 1.00 0.00 N ATOM 231 CA LEU A 14 -7.015 23.030 1.676 1.00 0.00 C ATOM 232 C LEU A 14 -5.677 23.143 2.408 1.00 0.00 C ATOM 233 O LEU A 14 -4.681 22.583 1.994 1.00 0.00 O ATOM 234 CB LEU A 14 -7.831 21.847 2.203 1.00 0.00 C ATOM 235 CG LEU A 14 -9.317 22.229 2.290 1.00 0.00 C ATOM 236 CD1 LEU A 14 -9.703 23.131 1.111 1.00 0.00 C ATOM 237 CD2 LEU A 14 -10.166 20.957 2.251 1.00 0.00 C ATOM 0 H LEU A 14 -6.776 21.729 0.002 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.530 23.979 1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.706 20.987 1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.465 21.552 3.186 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.493 22.768 3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.758 23.394 1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.100 24.039 1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.526 22.602 0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.222 21.222 2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.979 20.423 1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.903 20.318 3.094 1.00 0.00 H new ATOM 249 N ASP A 15 -5.645 23.870 3.490 1.00 0.00 N ATOM 250 CA ASP A 15 -4.368 24.029 4.248 1.00 0.00 C ATOM 251 C ASP A 15 -4.146 22.838 5.184 1.00 0.00 C ATOM 252 O ASP A 15 -4.870 21.863 5.148 1.00 0.00 O ATOM 253 CB ASP A 15 -4.544 25.317 5.054 1.00 0.00 C ATOM 254 CG ASP A 15 -5.789 25.200 5.935 1.00 0.00 C ATOM 255 OD1 ASP A 15 -5.826 24.301 6.757 1.00 0.00 O ATOM 256 OD2 ASP A 15 -6.684 26.012 5.771 1.00 0.00 O ATOM 0 H ASP A 15 -6.447 24.362 3.884 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.503 24.073 3.587 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.664 25.496 5.672 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.640 26.169 4.382 1.00 0.00 H new ATOM 261 N GLN A 16 -3.148 22.910 6.023 1.00 0.00 N ATOM 262 CA GLN A 16 -2.877 21.783 6.961 1.00 0.00 C ATOM 263 C GLN A 16 -4.076 21.568 7.888 1.00 0.00 C ATOM 264 O GLN A 16 -4.538 20.459 8.074 1.00 0.00 O ATOM 265 CB GLN A 16 -1.649 22.217 7.760 1.00 0.00 C ATOM 266 CG GLN A 16 -1.263 21.113 8.747 1.00 0.00 C ATOM 267 CD GLN A 16 -1.217 19.770 8.017 1.00 0.00 C ATOM 268 OE1 GLN A 16 -2.229 19.116 7.858 1.00 0.00 O ATOM 269 NE2 GLN A 16 -0.078 19.325 7.560 1.00 0.00 N ATOM 0 H GLN A 16 -2.508 23.701 6.099 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.708 20.842 6.438 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -0.818 22.423 7.086 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.860 23.142 8.297 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.292 21.331 9.191 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.985 21.071 9.563 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.773 19.872 7.692 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.039 18.431 7.071 1.00 0.00 H new ATOM 278 N SER A 17 -4.582 22.619 8.473 1.00 0.00 N ATOM 279 CA SER A 17 -5.746 22.472 9.386 1.00 0.00 C ATOM 280 C SER A 17 -6.898 21.770 8.663 1.00 0.00 C ATOM 281 O SER A 17 -7.532 20.884 9.200 1.00 0.00 O ATOM 282 CB SER A 17 -6.135 23.901 9.764 1.00 0.00 C ATOM 283 OG SER A 17 -6.653 23.913 11.087 1.00 0.00 O ATOM 0 H SER A 17 -4.238 23.572 8.357 1.00 0.00 H new ATOM 0 HA SER A 17 -5.511 21.870 10.264 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.267 24.557 9.695 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.880 24.284 9.066 1.00 0.00 H new ATOM 0 HG SER A 17 -6.902 24.829 11.333 1.00 0.00 H new ATOM 289 N GLN A 18 -7.170 22.156 7.447 1.00 0.00 N ATOM 290 CA GLN A 18 -8.278 21.505 6.689 1.00 0.00 C ATOM 291 C GLN A 18 -7.929 20.040 6.414 1.00 0.00 C ATOM 292 O GLN A 18 -8.739 19.152 6.593 1.00 0.00 O ATOM 293 CB GLN A 18 -8.372 22.282 5.377 1.00 0.00 C ATOM 294 CG GLN A 18 -8.984 23.658 5.638 1.00 0.00 C ATOM 295 CD GLN A 18 -10.436 23.490 6.090 1.00 0.00 C ATOM 296 OE1 GLN A 18 -11.337 23.447 5.277 1.00 0.00 O ATOM 297 NE2 GLN A 18 -10.701 23.391 7.364 1.00 0.00 N ATOM 0 H GLN A 18 -6.674 22.893 6.945 1.00 0.00 H new ATOM 0 HA GLN A 18 -9.219 21.517 7.238 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.381 22.391 4.936 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.981 21.732 4.660 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.412 24.184 6.402 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.941 24.265 4.734 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.944 23.427 8.047 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.665 23.277 7.677 1.00 0.00 H new ATOM 306 N LEU A 19 -6.727 19.787 5.978 1.00 0.00 N ATOM 307 CA LEU A 19 -6.311 18.385 5.684 1.00 0.00 C ATOM 308 C LEU A 19 -6.390 17.525 6.950 1.00 0.00 C ATOM 309 O LEU A 19 -6.714 16.356 6.896 1.00 0.00 O ATOM 310 CB LEU A 19 -4.867 18.499 5.200 1.00 0.00 C ATOM 311 CG LEU A 19 -4.299 17.102 4.948 1.00 0.00 C ATOM 312 CD1 LEU A 19 -4.308 16.811 3.446 1.00 0.00 C ATOM 313 CD2 LEU A 19 -2.862 17.037 5.468 1.00 0.00 C ATOM 0 H LEU A 19 -6.010 20.494 5.811 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.955 17.910 4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.825 19.090 4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.263 19.019 5.944 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.910 16.362 5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.903 15.815 3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.331 16.860 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.697 17.550 2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.455 16.042 5.289 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.253 17.777 4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.852 17.246 6.538 1.00 0.00 H new ATOM 325 N ALA A 20 -6.092 18.092 8.087 1.00 0.00 N ATOM 326 CA ALA A 20 -6.146 17.303 9.344 1.00 0.00 C ATOM 327 C ALA A 20 -7.545 16.722 9.538 1.00 0.00 C ATOM 328 O ALA A 20 -7.711 15.576 9.907 1.00 0.00 O ATOM 329 CB ALA A 20 -5.825 18.304 10.456 1.00 0.00 C ATOM 0 H ALA A 20 -5.814 19.067 8.197 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.449 16.465 9.336 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.845 17.796 11.420 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.834 18.727 10.290 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.566 19.103 10.451 1.00 0.00 H new ATOM 335 N LEU A 21 -8.553 17.509 9.291 1.00 0.00 N ATOM 336 CA LEU A 21 -9.946 17.019 9.461 1.00 0.00 C ATOM 337 C LEU A 21 -10.195 15.801 8.566 1.00 0.00 C ATOM 338 O LEU A 21 -10.973 14.926 8.889 1.00 0.00 O ATOM 339 CB LEU A 21 -10.832 18.206 9.053 1.00 0.00 C ATOM 340 CG LEU A 21 -11.118 18.176 7.548 1.00 0.00 C ATOM 341 CD1 LEU A 21 -12.334 17.287 7.275 1.00 0.00 C ATOM 342 CD2 LEU A 21 -11.404 19.597 7.057 1.00 0.00 C ATOM 0 H LEU A 21 -8.470 18.476 8.977 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.155 16.694 10.480 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.770 18.173 9.607 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.339 19.142 9.316 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.252 17.775 7.021 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -12.537 17.266 6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.131 16.275 7.625 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.202 17.686 7.801 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.608 19.578 5.986 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.270 19.997 7.584 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.538 20.230 7.250 1.00 0.00 H new ATOM 354 N GLU A 22 -9.543 15.748 7.441 1.00 0.00 N ATOM 355 CA GLU A 22 -9.739 14.592 6.514 1.00 0.00 C ATOM 356 C GLU A 22 -9.124 13.327 7.113 1.00 0.00 C ATOM 357 O GLU A 22 -9.733 12.275 7.136 1.00 0.00 O ATOM 358 CB GLU A 22 -9.009 14.970 5.222 1.00 0.00 C ATOM 359 CG GLU A 22 -9.231 16.451 4.906 1.00 0.00 C ATOM 360 CD GLU A 22 -8.988 16.698 3.417 1.00 0.00 C ATOM 361 OE1 GLU A 22 -9.631 16.042 2.614 1.00 0.00 O ATOM 362 OE2 GLU A 22 -8.161 17.539 3.103 1.00 0.00 O ATOM 0 H GLU A 22 -8.881 16.454 7.119 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.796 14.390 6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.943 14.768 5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.371 14.356 4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.247 16.742 5.172 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.557 17.066 5.502 1.00 0.00 H new ATOM 369 N LYS A 23 -7.916 13.422 7.595 1.00 0.00 N ATOM 370 CA LYS A 23 -7.250 12.228 8.189 1.00 0.00 C ATOM 371 C LYS A 23 -8.050 11.714 9.388 1.00 0.00 C ATOM 372 O LYS A 23 -8.129 10.526 9.633 1.00 0.00 O ATOM 373 CB LYS A 23 -5.879 12.729 8.638 1.00 0.00 C ATOM 374 CG LYS A 23 -4.785 11.967 7.887 1.00 0.00 C ATOM 375 CD LYS A 23 -4.664 12.518 6.465 1.00 0.00 C ATOM 376 CE LYS A 23 -5.250 11.511 5.474 1.00 0.00 C ATOM 377 NZ LYS A 23 -5.879 12.338 4.407 1.00 0.00 N ATOM 0 H LYS A 23 -7.360 14.277 7.603 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.175 11.402 7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.790 13.798 8.445 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.763 12.588 9.713 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.833 12.067 8.409 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.022 10.904 7.857 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.190 13.469 6.387 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.618 12.712 6.227 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.475 10.863 5.065 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.984 10.865 5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.303 11.715 3.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.618 12.939 4.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.156 12.938 3.961 1.00 0.00 H new ATOM 391 N GLU A 24 -8.642 12.601 10.137 1.00 0.00 N ATOM 392 CA GLU A 24 -9.434 12.168 11.324 1.00 0.00 C ATOM 393 C GLU A 24 -10.768 11.559 10.882 1.00 0.00 C ATOM 394 O GLU A 24 -11.110 10.453 11.252 1.00 0.00 O ATOM 395 CB GLU A 24 -9.672 13.447 12.126 1.00 0.00 C ATOM 396 CG GLU A 24 -9.362 13.189 13.601 1.00 0.00 C ATOM 397 CD GLU A 24 -10.635 13.375 14.428 1.00 0.00 C ATOM 398 OE1 GLU A 24 -11.708 13.314 13.850 1.00 0.00 O ATOM 399 OE2 GLU A 24 -10.516 13.574 15.626 1.00 0.00 O ATOM 0 H GLU A 24 -8.612 13.608 9.979 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.917 11.407 11.908 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.041 14.250 11.746 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.706 13.773 12.012 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.975 12.178 13.731 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.588 13.874 13.946 1.00 0.00 H new ATOM 406 N ILE A 25 -11.527 12.275 10.098 1.00 0.00 N ATOM 407 CA ILE A 25 -12.840 11.744 9.638 1.00 0.00 C ATOM 408 C ILE A 25 -12.648 10.452 8.839 1.00 0.00 C ATOM 409 O ILE A 25 -13.413 9.517 8.963 1.00 0.00 O ATOM 410 CB ILE A 25 -13.411 12.842 8.746 1.00 0.00 C ATOM 411 CG1 ILE A 25 -13.866 14.019 9.612 1.00 0.00 C ATOM 412 CG2 ILE A 25 -14.604 12.291 7.968 1.00 0.00 C ATOM 413 CD1 ILE A 25 -14.928 13.543 10.605 1.00 0.00 C ATOM 0 H ILE A 25 -11.293 13.207 9.756 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.500 11.501 10.470 1.00 0.00 H new ATOM 0 HB ILE A 25 -12.645 13.181 8.049 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -13.015 14.440 10.148 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -14.271 14.812 8.983 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -15.015 13.073 7.329 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -14.280 11.452 7.352 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -15.370 11.954 8.667 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -15.252 14.382 11.221 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -15.783 13.142 10.060 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -14.508 12.765 11.242 1.00 0.00 H new ATOM 425 N ILE A 26 -11.637 10.393 8.017 1.00 0.00 N ATOM 426 CA ILE A 26 -11.405 9.160 7.209 1.00 0.00 C ATOM 427 C ILE A 26 -11.166 7.961 8.132 1.00 0.00 C ATOM 428 O ILE A 26 -11.735 6.903 7.950 1.00 0.00 O ATOM 429 CB ILE A 26 -10.157 9.459 6.377 1.00 0.00 C ATOM 430 CG1 ILE A 26 -10.534 10.370 5.205 1.00 0.00 C ATOM 431 CG2 ILE A 26 -9.572 8.151 5.836 1.00 0.00 C ATOM 432 CD1 ILE A 26 -11.467 9.620 4.253 1.00 0.00 C ATOM 0 H ILE A 26 -10.962 11.143 7.869 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.260 8.910 6.581 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.415 9.955 7.003 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.023 11.272 5.574 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.636 10.688 4.675 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.683 8.368 5.244 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.304 7.501 6.669 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.312 7.653 5.210 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.735 10.269 3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -10.962 8.732 3.874 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.370 9.324 4.787 1.00 0.00 H new ATOM 444 N GLN A 27 -10.327 8.117 9.118 1.00 0.00 N ATOM 445 CA GLN A 27 -10.052 6.981 10.045 1.00 0.00 C ATOM 446 C GLN A 27 -11.356 6.472 10.663 1.00 0.00 C ATOM 447 O GLN A 27 -11.563 5.283 10.807 1.00 0.00 O ATOM 448 CB GLN A 27 -9.136 7.560 11.125 1.00 0.00 C ATOM 449 CG GLN A 27 -7.718 7.022 10.928 1.00 0.00 C ATOM 450 CD GLN A 27 -6.857 7.385 12.138 1.00 0.00 C ATOM 451 OE1 GLN A 27 -6.037 6.599 12.573 1.00 0.00 O ATOM 452 NE2 GLN A 27 -7.009 8.550 12.707 1.00 0.00 N ATOM 0 H GLN A 27 -9.821 8.979 9.323 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.593 6.135 9.533 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.135 8.649 11.071 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.505 7.290 12.114 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.744 5.940 10.799 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.282 7.441 10.021 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.696 9.210 12.343 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.440 8.801 13.516 1.00 0.00 H new ATOM 461 N ARG A 28 -12.238 7.361 11.029 1.00 0.00 N ATOM 462 CA ARG A 28 -13.526 6.926 11.638 1.00 0.00 C ATOM 463 C ARG A 28 -14.297 6.032 10.664 1.00 0.00 C ATOM 464 O ARG A 28 -14.819 4.999 11.035 1.00 0.00 O ATOM 465 CB ARG A 28 -14.297 8.219 11.899 1.00 0.00 C ATOM 466 CG ARG A 28 -13.951 8.748 13.292 1.00 0.00 C ATOM 467 CD ARG A 28 -15.072 8.388 14.268 1.00 0.00 C ATOM 468 NE ARG A 28 -15.849 9.647 14.442 1.00 0.00 N ATOM 469 CZ ARG A 28 -16.034 10.140 15.635 1.00 0.00 C ATOM 470 NH1 ARG A 28 -15.012 10.538 16.344 1.00 0.00 N ATOM 471 NH2 ARG A 28 -17.241 10.233 16.121 1.00 0.00 N ATOM 0 H ARG A 28 -12.122 8.370 10.933 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.376 6.348 12.550 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.046 8.963 11.143 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.369 8.037 11.824 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -13.008 8.320 13.631 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.817 9.829 13.259 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -15.699 7.589 13.872 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.670 8.037 15.219 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.236 10.124 13.628 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -14.068 10.463 15.965 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.158 10.924 17.277 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -18.039 9.920 15.568 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -17.387 10.618 17.054 1.00 0.00 H new ATOM 485 N ALA A 29 -14.375 6.423 9.423 1.00 0.00 N ATOM 486 CA ALA A 29 -15.114 5.600 8.432 1.00 0.00 C ATOM 487 C ALA A 29 -14.478 4.218 8.321 1.00 0.00 C ATOM 488 O ALA A 29 -15.162 3.217 8.234 1.00 0.00 O ATOM 489 CB ALA A 29 -14.999 6.360 7.111 1.00 0.00 C ATOM 0 H ALA A 29 -13.958 7.278 9.054 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.155 5.447 8.716 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.523 5.811 6.329 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.444 7.349 7.220 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.948 6.463 6.841 1.00 0.00 H new ATOM 495 N LEU A 30 -13.177 4.144 8.350 1.00 0.00 N ATOM 496 CA LEU A 30 -12.530 2.803 8.271 1.00 0.00 C ATOM 497 C LEU A 30 -13.115 1.970 9.393 1.00 0.00 C ATOM 498 O LEU A 30 -13.435 0.807 9.242 1.00 0.00 O ATOM 499 CB LEU A 30 -11.023 3.027 8.493 1.00 0.00 C ATOM 500 CG LEU A 30 -10.547 4.311 7.799 1.00 0.00 C ATOM 501 CD1 LEU A 30 -9.062 4.184 7.456 1.00 0.00 C ATOM 502 CD2 LEU A 30 -11.344 4.535 6.513 1.00 0.00 C ATOM 0 H LEU A 30 -12.542 4.939 8.424 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.691 2.300 7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.815 3.089 9.561 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.465 2.174 8.108 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.700 5.157 8.470 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.723 5.095 6.963 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.489 4.032 8.371 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.914 3.334 6.789 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -11.000 5.448 6.026 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.197 3.689 5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.403 4.628 6.753 1.00 0.00 H new ATOM 514 N GLU A 31 -13.274 2.595 10.517 1.00 0.00 N ATOM 515 CA GLU A 31 -13.862 1.911 11.689 1.00 0.00 C ATOM 516 C GLU A 31 -15.350 1.638 11.444 1.00 0.00 C ATOM 517 O GLU A 31 -15.888 0.643 11.886 1.00 0.00 O ATOM 518 CB GLU A 31 -13.674 2.880 12.856 1.00 0.00 C ATOM 519 CG GLU A 31 -12.284 2.683 13.463 1.00 0.00 C ATOM 520 CD GLU A 31 -12.159 1.257 14.004 1.00 0.00 C ATOM 521 OE1 GLU A 31 -12.805 0.962 14.995 1.00 0.00 O ATOM 522 OE2 GLU A 31 -11.420 0.485 13.415 1.00 0.00 O ATOM 0 H GLU A 31 -13.016 3.569 10.675 1.00 0.00 H new ATOM 0 HA GLU A 31 -13.390 0.949 11.887 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.790 3.908 12.512 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.440 2.709 13.612 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.518 2.866 12.710 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.121 3.403 14.265 1.00 0.00 H new ATOM 529 N ASN A 32 -16.024 2.517 10.742 1.00 0.00 N ATOM 530 CA ASN A 32 -17.466 2.305 10.478 1.00 0.00 C ATOM 531 C ASN A 32 -17.658 1.012 9.687 1.00 0.00 C ATOM 532 O ASN A 32 -18.504 0.197 9.996 1.00 0.00 O ATOM 533 CB ASN A 32 -17.893 3.516 9.649 1.00 0.00 C ATOM 534 CG ASN A 32 -19.400 3.733 9.797 1.00 0.00 C ATOM 535 OD1 ASN A 32 -19.912 3.791 10.897 1.00 0.00 O ATOM 536 ND2 ASN A 32 -20.137 3.859 8.727 1.00 0.00 N ATOM 0 H ASN A 32 -15.630 3.370 10.344 1.00 0.00 H new ATOM 0 HA ASN A 32 -18.054 2.213 11.391 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.353 4.404 9.979 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.639 3.360 8.601 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -21.143 4.006 8.815 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -19.707 3.810 7.803 1.00 0.00 H new ATOM 543 N TYR A 33 -16.876 0.827 8.661 1.00 0.00 N ATOM 544 CA TYR A 33 -16.986 -0.384 7.836 1.00 0.00 C ATOM 545 C TYR A 33 -16.252 -1.555 8.496 1.00 0.00 C ATOM 546 O TYR A 33 -16.188 -2.644 7.961 1.00 0.00 O ATOM 547 CB TYR A 33 -16.304 0.026 6.544 1.00 0.00 C ATOM 548 CG TYR A 33 -17.233 -0.220 5.388 1.00 0.00 C ATOM 549 CD1 TYR A 33 -18.309 0.645 5.176 1.00 0.00 C ATOM 550 CD2 TYR A 33 -17.024 -1.306 4.531 1.00 0.00 C ATOM 551 CE1 TYR A 33 -19.181 0.428 4.107 1.00 0.00 C ATOM 552 CE2 TYR A 33 -17.897 -1.526 3.459 1.00 0.00 C ATOM 553 CZ TYR A 33 -18.977 -0.659 3.247 1.00 0.00 C ATOM 554 OH TYR A 33 -19.838 -0.874 2.191 1.00 0.00 O ATOM 0 H TYR A 33 -16.154 1.483 8.362 1.00 0.00 H new ATOM 0 HA TYR A 33 -18.012 -0.721 7.692 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -16.027 1.080 6.585 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -15.382 -0.541 6.411 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -18.467 1.482 5.839 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -16.191 -1.973 4.696 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -20.012 1.098 3.943 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -17.738 -2.363 2.796 1.00 0.00 H new ATOM 0 HH TYR A 33 -19.357 -0.752 1.346 1.00 0.00 H new ATOM 564 N GLY A 34 -15.698 -1.338 9.658 1.00 0.00 N ATOM 565 CA GLY A 34 -14.970 -2.428 10.353 1.00 0.00 C ATOM 566 C GLY A 34 -13.645 -2.703 9.640 1.00 0.00 C ATOM 567 O GLY A 34 -13.070 -3.767 9.768 1.00 0.00 O ATOM 0 H GLY A 34 -15.721 -0.447 10.155 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.784 -2.150 11.390 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -15.579 -3.332 10.369 1.00 0.00 H new ATOM 571 N ALA A 35 -13.151 -1.753 8.893 1.00 0.00 N ATOM 572 CA ALA A 35 -11.857 -1.965 8.179 1.00 0.00 C ATOM 573 C ALA A 35 -10.697 -1.898 9.177 1.00 0.00 C ATOM 574 O ALA A 35 -10.682 -1.070 10.066 1.00 0.00 O ATOM 575 CB ALA A 35 -11.770 -0.823 7.166 1.00 0.00 C ATOM 0 H ALA A 35 -13.585 -0.842 8.746 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.802 -2.938 7.691 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.843 -0.909 6.599 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.618 -0.876 6.484 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.787 0.132 7.692 1.00 0.00 H new ATOM 581 N ARG A 36 -9.733 -2.768 9.046 1.00 0.00 N ATOM 582 CA ARG A 36 -8.589 -2.756 10.002 1.00 0.00 C ATOM 583 C ARG A 36 -7.324 -2.232 9.326 1.00 0.00 C ATOM 584 O ARG A 36 -7.018 -2.566 8.197 1.00 0.00 O ATOM 585 CB ARG A 36 -8.373 -4.207 10.424 1.00 0.00 C ATOM 586 CG ARG A 36 -9.702 -4.966 10.444 1.00 0.00 C ATOM 587 CD ARG A 36 -9.480 -6.361 11.031 1.00 0.00 C ATOM 588 NE ARG A 36 -10.847 -6.895 11.273 1.00 0.00 N ATOM 589 CZ ARG A 36 -11.030 -8.179 11.412 1.00 0.00 C ATOM 590 NH1 ARG A 36 -10.196 -8.882 12.128 1.00 0.00 N ATOM 591 NH2 ARG A 36 -12.047 -8.759 10.834 1.00 0.00 N ATOM 0 H ARG A 36 -9.688 -3.484 8.321 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.802 -2.108 10.852 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.681 -4.692 9.736 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.915 -4.240 11.412 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.436 -4.422 11.038 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.104 -5.044 9.434 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.924 -6.996 10.341 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.905 -6.314 11.956 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.641 -6.257 11.330 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.402 -8.427 12.578 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.338 -9.886 12.237 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.698 -8.208 10.274 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.191 -9.763 10.942 1.00 0.00 H new ATOM 605 N VAL A 37 -6.584 -1.427 10.022 1.00 0.00 N ATOM 606 CA VAL A 37 -5.319 -0.875 9.456 1.00 0.00 C ATOM 607 C VAL A 37 -4.127 -1.386 10.267 1.00 0.00 C ATOM 608 O VAL A 37 -4.014 -1.131 11.449 1.00 0.00 O ATOM 609 CB VAL A 37 -5.452 0.644 9.586 1.00 0.00 C ATOM 610 CG1 VAL A 37 -6.017 0.995 10.964 1.00 0.00 C ATOM 611 CG2 VAL A 37 -4.075 1.289 9.423 1.00 0.00 C ATOM 0 H VAL A 37 -6.799 -1.121 10.971 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.157 -1.175 8.421 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.125 1.016 8.814 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.111 2.077 11.054 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.998 0.535 11.083 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.345 0.623 11.738 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.167 2.371 9.515 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.404 0.915 10.196 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.671 1.041 8.441 1.00 0.00 H new ATOM 621 N GLU A 38 -3.239 -2.108 9.642 1.00 0.00 N ATOM 622 CA GLU A 38 -2.059 -2.637 10.383 1.00 0.00 C ATOM 623 C GLU A 38 -0.949 -1.585 10.430 1.00 0.00 C ATOM 624 O GLU A 38 -0.128 -1.582 11.323 1.00 0.00 O ATOM 625 CB GLU A 38 -1.605 -3.860 9.586 1.00 0.00 C ATOM 626 CG GLU A 38 -1.711 -5.107 10.466 1.00 0.00 C ATOM 627 CD GLU A 38 -0.645 -5.048 11.562 1.00 0.00 C ATOM 628 OE1 GLU A 38 -0.434 -3.973 12.099 1.00 0.00 O ATOM 629 OE2 GLU A 38 -0.058 -6.079 11.847 1.00 0.00 O ATOM 0 H GLU A 38 -3.279 -2.354 8.653 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.300 -2.890 11.415 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.222 -3.977 8.695 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.578 -3.726 9.247 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.704 -5.167 10.912 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.578 -6.004 9.862 1.00 0.00 H new ATOM 636 N LYS A 39 -0.923 -0.694 9.475 1.00 0.00 N ATOM 637 CA LYS A 39 0.124 0.366 9.453 1.00 0.00 C ATOM 638 C LYS A 39 -0.094 1.309 8.268 1.00 0.00 C ATOM 639 O LYS A 39 -0.542 0.906 7.213 1.00 0.00 O ATOM 640 CB LYS A 39 1.454 -0.378 9.313 1.00 0.00 C ATOM 641 CG LYS A 39 2.519 0.313 10.165 1.00 0.00 C ATOM 642 CD LYS A 39 2.000 0.460 11.596 1.00 0.00 C ATOM 643 CE LYS A 39 2.894 -0.334 12.552 1.00 0.00 C ATOM 644 NZ LYS A 39 1.965 -0.879 13.580 1.00 0.00 N ATOM 0 H LYS A 39 -1.589 -0.656 8.703 1.00 0.00 H new ATOM 0 HA LYS A 39 0.099 0.980 10.353 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.337 -1.415 9.629 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.764 -0.396 8.268 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.441 -0.268 10.158 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.756 1.292 9.749 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.988 1.512 11.883 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.973 0.100 11.660 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.419 -1.134 12.030 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.654 0.304 13.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.469 -1.570 14.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.614 -0.103 14.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.163 -1.345 13.111 1.00 0.00 H new ATOM 658 N VAL A 40 0.227 2.562 8.437 1.00 0.00 N ATOM 659 CA VAL A 40 0.049 3.539 7.327 1.00 0.00 C ATOM 660 C VAL A 40 1.405 4.121 6.925 1.00 0.00 C ATOM 661 O VAL A 40 2.059 4.786 7.702 1.00 0.00 O ATOM 662 CB VAL A 40 -0.854 4.632 7.900 1.00 0.00 C ATOM 663 CG1 VAL A 40 -1.425 5.475 6.759 1.00 0.00 C ATOM 664 CG2 VAL A 40 -2.003 3.990 8.681 1.00 0.00 C ATOM 0 H VAL A 40 0.606 2.952 9.300 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.383 3.082 6.436 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.272 5.268 8.566 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.068 6.254 7.169 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.608 5.935 6.202 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.006 4.838 6.092 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.646 4.770 9.089 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.584 3.352 8.015 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.598 3.390 9.496 1.00 0.00 H new ATOM 674 N GLU A 41 1.836 3.873 5.720 1.00 0.00 N ATOM 675 CA GLU A 41 3.154 4.411 5.281 1.00 0.00 C ATOM 676 C GLU A 41 2.984 5.798 4.656 1.00 0.00 C ATOM 677 O GLU A 41 2.269 5.972 3.688 1.00 0.00 O ATOM 678 CB GLU A 41 3.665 3.413 4.241 1.00 0.00 C ATOM 679 CG GLU A 41 5.116 3.744 3.888 1.00 0.00 C ATOM 680 CD GLU A 41 5.150 4.617 2.633 1.00 0.00 C ATOM 681 OE1 GLU A 41 4.324 4.400 1.763 1.00 0.00 O ATOM 682 OE2 GLU A 41 6.001 5.488 2.564 1.00 0.00 O ATOM 0 H GLU A 41 1.335 3.323 5.022 1.00 0.00 H new ATOM 0 HA GLU A 41 3.848 4.524 6.114 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.597 2.398 4.631 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.043 3.453 3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.594 4.264 4.718 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.679 2.826 3.720 1.00 0.00 H new ATOM 689 N GLU A 42 3.638 6.785 5.203 1.00 0.00 N ATOM 690 CA GLU A 42 3.520 8.163 4.645 1.00 0.00 C ATOM 691 C GLU A 42 4.648 8.422 3.643 1.00 0.00 C ATOM 692 O GLU A 42 5.804 8.166 3.916 1.00 0.00 O ATOM 693 CB GLU A 42 3.653 9.088 5.853 1.00 0.00 C ATOM 694 CG GLU A 42 5.036 8.905 6.480 1.00 0.00 C ATOM 695 CD GLU A 42 4.887 8.624 7.976 1.00 0.00 C ATOM 696 OE1 GLU A 42 4.530 9.541 8.697 1.00 0.00 O ATOM 697 OE2 GLU A 42 5.132 7.498 8.375 1.00 0.00 O ATOM 0 H GLU A 42 4.250 6.697 6.014 1.00 0.00 H new ATOM 0 HA GLU A 42 2.581 8.318 4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.514 10.125 5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.877 8.864 6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.560 8.081 5.995 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.638 9.801 6.326 1.00 0.00 H new ATOM 704 N LEU A 43 4.324 8.930 2.487 1.00 0.00 N ATOM 705 CA LEU A 43 5.381 9.205 1.473 1.00 0.00 C ATOM 706 C LEU A 43 6.041 10.558 1.754 1.00 0.00 C ATOM 707 O LEU A 43 7.240 10.711 1.636 1.00 0.00 O ATOM 708 CB LEU A 43 4.647 9.233 0.132 1.00 0.00 C ATOM 709 CG LEU A 43 3.659 8.066 0.062 1.00 0.00 C ATOM 710 CD1 LEU A 43 3.173 7.892 -1.378 1.00 0.00 C ATOM 711 CD2 LEU A 43 4.354 6.780 0.521 1.00 0.00 C ATOM 0 H LEU A 43 3.374 9.167 2.200 1.00 0.00 H new ATOM 0 HA LEU A 43 6.173 8.456 1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.117 10.178 0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.363 9.166 -0.687 1.00 0.00 H new ATOM 0 HG LEU A 43 2.808 8.274 0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.470 7.061 -1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.679 8.806 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.024 7.685 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.651 5.949 0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.205 6.575 -0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.701 6.900 1.547 1.00 0.00 H new ATOM 723 N GLY A 44 5.266 11.538 2.129 1.00 0.00 N ATOM 724 CA GLY A 44 5.849 12.879 2.420 1.00 0.00 C ATOM 725 C GLY A 44 5.397 13.880 1.355 1.00 0.00 C ATOM 726 O GLY A 44 6.204 14.456 0.652 1.00 0.00 O ATOM 0 H GLY A 44 4.255 11.469 2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.534 13.217 3.407 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.937 12.817 2.436 1.00 0.00 H new ATOM 955 N GLY A 58 0.504 16.828 -4.016 1.00 0.00 N ATOM 956 CA GLY A 58 -0.334 15.597 -3.978 1.00 0.00 C ATOM 957 C GLY A 58 0.032 14.764 -2.749 1.00 0.00 C ATOM 958 O GLY A 58 1.167 14.745 -2.315 1.00 0.00 O ATOM 0 HA2 GLY A 58 -1.390 15.865 -3.947 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.180 15.012 -4.885 1.00 0.00 H new ATOM 962 N TYR A 59 -0.920 14.071 -2.185 1.00 0.00 N ATOM 963 CA TYR A 59 -0.622 13.239 -0.984 1.00 0.00 C ATOM 964 C TYR A 59 -1.170 11.821 -1.177 1.00 0.00 C ATOM 965 O TYR A 59 -2.359 11.619 -1.326 1.00 0.00 O ATOM 966 CB TYR A 59 -1.336 13.938 0.172 1.00 0.00 C ATOM 967 CG TYR A 59 -1.145 13.139 1.437 1.00 0.00 C ATOM 968 CD1 TYR A 59 0.052 12.444 1.651 1.00 0.00 C ATOM 969 CD2 TYR A 59 -2.163 13.092 2.398 1.00 0.00 C ATOM 970 CE1 TYR A 59 0.230 11.702 2.824 1.00 0.00 C ATOM 971 CE2 TYR A 59 -1.983 12.348 3.571 1.00 0.00 C ATOM 972 CZ TYR A 59 -0.787 11.653 3.783 1.00 0.00 C ATOM 973 OH TYR A 59 -0.610 10.920 4.939 1.00 0.00 O ATOM 0 H TYR A 59 -1.889 14.045 -2.503 1.00 0.00 H new ATOM 0 HA TYR A 59 0.448 13.145 -0.801 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.940 14.945 0.302 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.398 14.039 -0.050 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.838 12.481 0.911 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.086 13.629 2.235 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.153 11.167 2.989 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.768 12.311 4.312 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.411 10.993 5.498 1.00 0.00 H new ATOM 983 N PHE A 60 -0.312 10.837 -1.175 1.00 0.00 N ATOM 984 CA PHE A 60 -0.784 9.432 -1.358 1.00 0.00 C ATOM 985 C PHE A 60 -0.521 8.624 -0.084 1.00 0.00 C ATOM 986 O PHE A 60 0.539 8.701 0.502 1.00 0.00 O ATOM 987 CB PHE A 60 0.039 8.869 -2.524 1.00 0.00 C ATOM 988 CG PHE A 60 0.253 9.936 -3.573 1.00 0.00 C ATOM 989 CD1 PHE A 60 -0.812 10.353 -4.380 1.00 0.00 C ATOM 990 CD2 PHE A 60 1.520 10.510 -3.735 1.00 0.00 C ATOM 991 CE1 PHE A 60 -0.610 11.344 -5.349 1.00 0.00 C ATOM 992 CE2 PHE A 60 1.722 11.500 -4.703 1.00 0.00 C ATOM 993 CZ PHE A 60 0.658 11.918 -5.510 1.00 0.00 C ATOM 0 H PHE A 60 0.695 10.944 -1.055 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.854 9.384 -1.561 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.001 8.509 -2.159 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.476 8.015 -2.963 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.789 9.911 -4.255 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.342 10.188 -3.112 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.431 11.666 -5.972 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.700 11.942 -4.827 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.814 12.683 -6.257 1.00 0.00 H new ATOM 1003 N LEU A 61 -1.477 7.847 0.348 1.00 0.00 N ATOM 1004 CA LEU A 61 -1.275 7.035 1.583 1.00 0.00 C ATOM 1005 C LEU A 61 -1.274 5.542 1.239 1.00 0.00 C ATOM 1006 O LEU A 61 -2.173 5.042 0.593 1.00 0.00 O ATOM 1007 CB LEU A 61 -2.454 7.380 2.497 1.00 0.00 C ATOM 1008 CG LEU A 61 -3.745 7.456 1.678 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -4.924 7.007 2.541 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -3.970 8.899 1.219 1.00 0.00 C ATOM 0 H LEU A 61 -2.387 7.739 -0.099 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.321 7.251 2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.553 6.626 3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.273 8.333 2.995 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.664 6.804 0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.843 7.061 1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.763 5.981 2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.007 7.659 3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.889 8.956 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.052 9.549 2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.129 9.221 0.604 1.00 0.00 H new ATOM 1022 N TRP A 62 -0.267 4.831 1.665 1.00 0.00 N ATOM 1023 CA TRP A 62 -0.195 3.371 1.366 1.00 0.00 C ATOM 1024 C TRP A 62 -0.220 2.574 2.674 1.00 0.00 C ATOM 1025 O TRP A 62 0.674 2.685 3.488 1.00 0.00 O ATOM 1026 CB TRP A 62 1.153 3.207 0.656 1.00 0.00 C ATOM 1027 CG TRP A 62 1.373 1.777 0.288 1.00 0.00 C ATOM 1028 CD1 TRP A 62 0.980 1.205 -0.871 1.00 0.00 C ATOM 1029 CD2 TRP A 62 2.042 0.733 1.055 1.00 0.00 C ATOM 1030 NE1 TRP A 62 1.356 -0.126 -0.864 1.00 0.00 N ATOM 1031 CE2 TRP A 62 2.013 -0.465 0.302 1.00 0.00 C ATOM 1032 CE3 TRP A 62 2.659 0.707 2.318 1.00 0.00 C ATOM 1033 CZ2 TRP A 62 2.579 -1.646 0.783 1.00 0.00 C ATOM 1034 CZ3 TRP A 62 3.231 -0.480 2.806 1.00 0.00 C ATOM 1035 CH2 TRP A 62 3.189 -1.654 2.040 1.00 0.00 C ATOM 0 H TRP A 62 0.513 5.199 2.210 1.00 0.00 H new ATOM 0 HA TRP A 62 -1.028 3.012 0.762 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.178 3.828 -0.239 1.00 0.00 H new ATOM 0 HB3 TRP A 62 1.958 3.551 1.305 1.00 0.00 H new ATOM 0 HD1 TRP A 62 0.457 1.706 -1.673 1.00 0.00 H new ATOM 0 HE1 TRP A 62 1.171 -0.777 -1.627 1.00 0.00 H new ATOM 0 HE3 TRP A 62 2.694 1.605 2.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 2.546 -2.547 0.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 3.706 -0.488 3.776 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.628 -2.564 2.422 1.00 0.00 H new ATOM 1046 N TYR A 63 -1.237 1.780 2.898 1.00 0.00 N ATOM 1047 CA TYR A 63 -1.292 1.007 4.164 1.00 0.00 C ATOM 1048 C TYR A 63 -1.735 -0.433 3.909 1.00 0.00 C ATOM 1049 O TYR A 63 -2.482 -0.713 2.993 1.00 0.00 O ATOM 1050 CB TYR A 63 -2.308 1.734 5.041 1.00 0.00 C ATOM 1051 CG TYR A 63 -3.589 1.999 4.286 1.00 0.00 C ATOM 1052 CD1 TYR A 63 -3.629 2.966 3.275 1.00 0.00 C ATOM 1053 CD2 TYR A 63 -4.748 1.288 4.620 1.00 0.00 C ATOM 1054 CE1 TYR A 63 -4.829 3.218 2.596 1.00 0.00 C ATOM 1055 CE2 TYR A 63 -5.946 1.541 3.946 1.00 0.00 C ATOM 1056 CZ TYR A 63 -5.988 2.505 2.933 1.00 0.00 C ATOM 1057 OH TYR A 63 -7.174 2.755 2.273 1.00 0.00 O ATOM 0 H TYR A 63 -2.022 1.638 2.262 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.313 0.949 4.639 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.522 1.136 5.927 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.885 2.677 5.387 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -2.736 3.517 3.018 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.716 0.542 5.400 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.861 3.961 1.813 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.839 0.993 4.207 1.00 0.00 H new ATOM 0 HH TYR A 63 -7.197 3.692 1.986 1.00 0.00 H new ATOM 1067 N GLN A 64 -1.283 -1.346 4.724 1.00 0.00 N ATOM 1068 CA GLN A 64 -1.683 -2.768 4.542 1.00 0.00 C ATOM 1069 C GLN A 64 -2.935 -3.043 5.375 1.00 0.00 C ATOM 1070 O GLN A 64 -3.010 -2.691 6.536 1.00 0.00 O ATOM 1071 CB GLN A 64 -0.498 -3.583 5.060 1.00 0.00 C ATOM 1072 CG GLN A 64 -0.343 -3.356 6.567 1.00 0.00 C ATOM 1073 CD GLN A 64 1.138 -3.417 6.945 1.00 0.00 C ATOM 1074 OE1 GLN A 64 1.837 -2.314 6.981 1.00 0.00 O flip ATOM 1075 NE2 GLN A 64 1.666 -4.479 7.211 1.00 0.00 N flip ATOM 0 H GLN A 64 -0.654 -1.168 5.507 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.915 -3.017 3.507 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.654 -4.642 4.855 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.414 -3.289 4.541 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.760 -2.388 6.844 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.901 -4.113 7.118 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.121 -5.341 7.183 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.654 -4.509 7.462 1.00 0.00 H new ATOM 1084 N VAL A 65 -3.931 -3.636 4.782 1.00 0.00 N ATOM 1085 CA VAL A 65 -5.192 -3.894 5.524 1.00 0.00 C ATOM 1086 C VAL A 65 -5.534 -5.384 5.526 1.00 0.00 C ATOM 1087 O VAL A 65 -4.882 -6.183 4.889 1.00 0.00 O ATOM 1088 CB VAL A 65 -6.235 -3.109 4.739 1.00 0.00 C ATOM 1089 CG1 VAL A 65 -5.835 -1.637 4.695 1.00 0.00 C ATOM 1090 CG2 VAL A 65 -6.294 -3.642 3.309 1.00 0.00 C ATOM 0 H VAL A 65 -3.925 -3.954 3.813 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.130 -3.599 6.571 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.207 -3.216 5.220 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.581 -1.074 4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.774 -1.246 5.711 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.864 -1.538 4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.039 -3.083 2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.318 -3.527 2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.567 -4.697 3.325 1.00 0.00 H new ATOM 1100 N GLU A 66 -6.563 -5.758 6.238 1.00 0.00 N ATOM 1101 CA GLU A 66 -6.964 -7.192 6.281 1.00 0.00 C ATOM 1102 C GLU A 66 -8.410 -7.332 5.802 1.00 0.00 C ATOM 1103 O GLU A 66 -9.336 -7.356 6.588 1.00 0.00 O ATOM 1104 CB GLU A 66 -6.847 -7.600 7.749 1.00 0.00 C ATOM 1105 CG GLU A 66 -7.278 -9.059 7.904 1.00 0.00 C ATOM 1106 CD GLU A 66 -6.277 -9.799 8.791 1.00 0.00 C ATOM 1107 OE1 GLU A 66 -5.374 -9.154 9.298 1.00 0.00 O ATOM 1108 OE2 GLU A 66 -6.430 -10.999 8.950 1.00 0.00 O ATOM 0 H GLU A 66 -7.144 -5.130 6.793 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.343 -7.818 5.640 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.820 -7.474 8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.472 -6.956 8.368 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.274 -9.109 8.343 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.336 -9.537 6.926 1.00 0.00 H new ATOM 1115 N MET A 67 -8.611 -7.413 4.517 1.00 0.00 N ATOM 1116 CA MET A 67 -9.997 -7.537 3.982 1.00 0.00 C ATOM 1117 C MET A 67 -10.047 -8.576 2.860 1.00 0.00 C ATOM 1118 O MET A 67 -9.046 -8.866 2.235 1.00 0.00 O ATOM 1119 CB MET A 67 -10.332 -6.150 3.437 1.00 0.00 C ATOM 1120 CG MET A 67 -9.535 -5.902 2.155 1.00 0.00 C ATOM 1121 SD MET A 67 -9.699 -4.169 1.665 1.00 0.00 S ATOM 1122 CE MET A 67 -11.492 -4.174 1.421 1.00 0.00 C ATOM 0 H MET A 67 -7.874 -7.399 3.812 1.00 0.00 H new ATOM 0 HA MET A 67 -10.704 -7.863 4.745 1.00 0.00 H new ATOM 0 HB2 MET A 67 -11.400 -6.075 3.234 1.00 0.00 H new ATOM 0 HB3 MET A 67 -10.094 -5.388 4.179 1.00 0.00 H new ATOM 0 HG2 MET A 67 -8.485 -6.148 2.314 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.897 -6.552 1.358 1.00 0.00 H new ATOM 0 HE1 MET A 67 -11.768 -3.376 0.731 1.00 0.00 H new ATOM 0 HE2 MET A 67 -11.800 -5.134 1.007 1.00 0.00 H new ATOM 0 HE3 MET A 67 -11.990 -4.015 2.378 1.00 0.00 H new ATOM 1132 N PRO A 68 -11.221 -9.100 2.643 1.00 0.00 N ATOM 1133 CA PRO A 68 -11.419 -10.120 1.583 1.00 0.00 C ATOM 1134 C PRO A 68 -11.228 -9.493 0.199 1.00 0.00 C ATOM 1135 O PRO A 68 -11.250 -8.289 0.044 1.00 0.00 O ATOM 1136 CB PRO A 68 -12.862 -10.577 1.792 1.00 0.00 C ATOM 1137 CG PRO A 68 -13.524 -9.434 2.489 1.00 0.00 C ATOM 1138 CD PRO A 68 -12.468 -8.792 3.349 1.00 0.00 C ATOM 0 HA PRO A 68 -10.709 -10.945 1.638 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.349 -10.797 0.842 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -12.907 -11.486 2.392 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.926 -8.720 1.770 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.361 -9.781 3.095 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.623 -7.717 3.440 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -12.469 -9.201 4.359 1.00 0.00 H new ATOM 1146 N GLU A 69 -11.027 -10.302 -0.803 1.00 0.00 N ATOM 1147 CA GLU A 69 -10.821 -9.757 -2.176 1.00 0.00 C ATOM 1148 C GLU A 69 -12.135 -9.232 -2.759 1.00 0.00 C ATOM 1149 O GLU A 69 -12.142 -8.483 -3.717 1.00 0.00 O ATOM 1150 CB GLU A 69 -10.314 -10.944 -2.991 1.00 0.00 C ATOM 1151 CG GLU A 69 -11.421 -11.991 -3.114 1.00 0.00 C ATOM 1152 CD GLU A 69 -11.078 -13.201 -2.244 1.00 0.00 C ATOM 1153 OE1 GLU A 69 -9.957 -13.673 -2.337 1.00 0.00 O ATOM 1154 OE2 GLU A 69 -11.941 -13.635 -1.499 1.00 0.00 O ATOM 0 H GLU A 69 -10.996 -11.319 -0.732 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.124 -8.919 -2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.002 -10.612 -3.981 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.438 -11.381 -2.511 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.375 -11.565 -2.803 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.532 -12.297 -4.154 1.00 0.00 H new ATOM 1161 N ASP A 70 -13.249 -9.628 -2.206 1.00 0.00 N ATOM 1162 CA ASP A 70 -14.555 -9.155 -2.752 1.00 0.00 C ATOM 1163 C ASP A 70 -14.930 -7.791 -2.166 1.00 0.00 C ATOM 1164 O ASP A 70 -15.465 -6.941 -2.851 1.00 0.00 O ATOM 1165 CB ASP A 70 -15.568 -10.220 -2.329 1.00 0.00 C ATOM 1166 CG ASP A 70 -16.988 -9.681 -2.518 1.00 0.00 C ATOM 1167 OD1 ASP A 70 -17.139 -8.701 -3.227 1.00 0.00 O ATOM 1168 OD2 ASP A 70 -17.900 -10.259 -1.949 1.00 0.00 O ATOM 0 H ASP A 70 -13.313 -10.255 -1.404 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.521 -9.026 -3.834 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -15.429 -11.124 -2.922 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -15.408 -10.495 -1.286 1.00 0.00 H new ATOM 1173 N ARG A 71 -14.655 -7.571 -0.912 1.00 0.00 N ATOM 1174 CA ARG A 71 -14.997 -6.265 -0.299 1.00 0.00 C ATOM 1175 C ARG A 71 -14.018 -5.190 -0.771 1.00 0.00 C ATOM 1176 O ARG A 71 -14.157 -4.026 -0.453 1.00 0.00 O ATOM 1177 CB ARG A 71 -14.878 -6.483 1.209 1.00 0.00 C ATOM 1178 CG ARG A 71 -15.714 -5.433 1.944 1.00 0.00 C ATOM 1179 CD ARG A 71 -16.932 -6.104 2.584 1.00 0.00 C ATOM 1180 NE ARG A 71 -17.544 -6.917 1.495 1.00 0.00 N ATOM 1181 CZ ARG A 71 -18.498 -7.763 1.770 1.00 0.00 C ATOM 1182 NH1 ARG A 71 -18.538 -8.347 2.936 1.00 0.00 N ATOM 1183 NH2 ARG A 71 -19.412 -8.027 0.878 1.00 0.00 N ATOM 0 H ARG A 71 -14.208 -8.241 -0.287 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.996 -5.928 -0.577 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -15.220 -7.484 1.471 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -13.835 -6.413 1.516 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.111 -4.944 2.709 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -16.036 -4.658 1.249 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -16.640 -6.730 3.427 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -17.635 -5.364 2.966 1.00 0.00 H new ATOM 0 HE ARG A 71 -17.217 -6.812 0.535 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -17.823 -8.142 3.634 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -19.285 -9.008 3.150 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -19.381 -7.572 -0.034 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -20.158 -8.689 1.093 1.00 0.00 H new ATOM 1197 N VAL A 72 -13.026 -5.571 -1.528 1.00 0.00 N ATOM 1198 CA VAL A 72 -12.039 -4.568 -2.016 1.00 0.00 C ATOM 1199 C VAL A 72 -12.731 -3.548 -2.920 1.00 0.00 C ATOM 1200 O VAL A 72 -12.512 -2.358 -2.812 1.00 0.00 O ATOM 1201 CB VAL A 72 -11.006 -5.382 -2.798 1.00 0.00 C ATOM 1202 CG1 VAL A 72 -11.573 -5.784 -4.161 1.00 0.00 C ATOM 1203 CG2 VAL A 72 -9.755 -4.535 -3.005 1.00 0.00 C ATOM 0 H VAL A 72 -12.857 -6.531 -1.829 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.578 -4.005 -1.205 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.760 -6.282 -2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.829 -6.363 -4.708 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -12.469 -6.388 -4.019 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -11.825 -4.888 -4.729 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.015 -5.109 -3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.013 -3.636 -3.565 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.342 -4.253 -2.036 1.00 0.00 H new ATOM 1213 N ASN A 73 -13.573 -4.001 -3.802 1.00 0.00 N ATOM 1214 CA ASN A 73 -14.286 -3.053 -4.701 1.00 0.00 C ATOM 1215 C ASN A 73 -15.191 -2.147 -3.865 1.00 0.00 C ATOM 1216 O ASN A 73 -15.246 -0.950 -4.063 1.00 0.00 O ATOM 1217 CB ASN A 73 -15.114 -3.935 -5.637 1.00 0.00 C ATOM 1218 CG ASN A 73 -16.120 -3.071 -6.401 1.00 0.00 C ATOM 1219 OD1 ASN A 73 -16.976 -2.446 -5.808 1.00 0.00 O ATOM 1220 ND2 ASN A 73 -16.051 -3.010 -7.703 1.00 0.00 N ATOM 0 H ASN A 73 -13.799 -4.986 -3.940 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.607 -2.409 -5.260 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -14.460 -4.454 -6.337 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -15.638 -4.700 -5.064 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -16.716 -2.437 -8.223 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -15.332 -3.535 -8.201 1.00 0.00 H new ATOM 1227 N ASP A 74 -15.897 -2.715 -2.925 1.00 0.00 N ATOM 1228 CA ASP A 74 -16.796 -1.904 -2.066 1.00 0.00 C ATOM 1229 C ASP A 74 -15.981 -0.893 -1.253 1.00 0.00 C ATOM 1230 O ASP A 74 -16.285 0.282 -1.220 1.00 0.00 O ATOM 1231 CB ASP A 74 -17.467 -2.918 -1.139 1.00 0.00 C ATOM 1232 CG ASP A 74 -18.582 -2.232 -0.349 1.00 0.00 C ATOM 1233 OD1 ASP A 74 -18.264 -1.420 0.505 1.00 0.00 O ATOM 1234 OD2 ASP A 74 -19.736 -2.529 -0.611 1.00 0.00 O ATOM 0 H ASP A 74 -15.887 -3.713 -2.717 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.521 -1.333 -2.646 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -17.875 -3.744 -1.722 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -16.732 -3.343 -0.456 1.00 0.00 H new ATOM 1239 N LEU A 75 -14.952 -1.348 -0.593 1.00 0.00 N ATOM 1240 CA LEU A 75 -14.117 -0.437 0.222 1.00 0.00 C ATOM 1241 C LEU A 75 -13.559 0.705 -0.635 1.00 0.00 C ATOM 1242 O LEU A 75 -13.598 1.858 -0.253 1.00 0.00 O ATOM 1243 CB LEU A 75 -12.982 -1.330 0.737 1.00 0.00 C ATOM 1244 CG LEU A 75 -12.731 -1.047 2.220 1.00 0.00 C ATOM 1245 CD1 LEU A 75 -12.885 0.448 2.470 1.00 0.00 C ATOM 1246 CD2 LEU A 75 -13.748 -1.815 3.067 1.00 0.00 C ATOM 0 H LEU A 75 -14.655 -2.324 -0.587 1.00 0.00 H new ATOM 0 HA LEU A 75 -14.680 0.035 1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.241 -2.380 0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.074 -1.146 0.164 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.725 -1.366 2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.708 0.661 3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.163 0.995 1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -13.894 0.760 2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.569 -1.613 4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.756 -1.496 2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.645 -2.884 2.879 1.00 0.00 H new ATOM 1258 N ALA A 76 -13.051 0.391 -1.789 1.00 0.00 N ATOM 1259 CA ALA A 76 -12.500 1.453 -2.681 1.00 0.00 C ATOM 1260 C ALA A 76 -13.640 2.360 -3.113 1.00 0.00 C ATOM 1261 O ALA A 76 -13.514 3.565 -3.202 1.00 0.00 O ATOM 1262 CB ALA A 76 -11.915 0.706 -3.881 1.00 0.00 C ATOM 0 H ALA A 76 -12.991 -0.558 -2.158 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.744 2.072 -2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.490 1.423 -4.584 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -11.135 0.025 -3.541 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.703 0.137 -4.375 1.00 0.00 H new ATOM 1268 N ARG A 77 -14.755 1.758 -3.380 1.00 0.00 N ATOM 1269 CA ARG A 77 -15.955 2.510 -3.815 1.00 0.00 C ATOM 1270 C ARG A 77 -16.325 3.580 -2.782 1.00 0.00 C ATOM 1271 O ARG A 77 -16.813 4.641 -3.120 1.00 0.00 O ATOM 1272 CB ARG A 77 -17.025 1.428 -3.879 1.00 0.00 C ATOM 1273 CG ARG A 77 -17.433 1.195 -5.336 1.00 0.00 C ATOM 1274 CD ARG A 77 -18.956 1.076 -5.428 1.00 0.00 C ATOM 1275 NE ARG A 77 -19.318 1.750 -6.708 1.00 0.00 N ATOM 1276 CZ ARG A 77 -20.548 1.707 -7.143 1.00 0.00 C ATOM 1277 NH1 ARG A 77 -21.503 1.270 -6.368 1.00 0.00 N ATOM 1278 NH2 ARG A 77 -20.824 2.104 -8.357 1.00 0.00 N ATOM 0 H ARG A 77 -14.889 0.749 -3.313 1.00 0.00 H new ATOM 0 HA ARG A 77 -15.819 3.040 -4.758 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -16.647 0.503 -3.444 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -17.893 1.726 -3.291 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -17.084 2.019 -5.959 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -16.963 0.288 -5.715 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -19.271 0.033 -5.428 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -19.442 1.556 -4.578 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.605 2.245 -7.244 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -21.289 0.961 -5.420 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -22.463 1.238 -6.711 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -20.079 2.447 -8.963 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -21.785 2.071 -8.698 1.00 0.00 H new ATOM 1292 N GLU A 78 -16.099 3.310 -1.526 1.00 0.00 N ATOM 1293 CA GLU A 78 -16.442 4.312 -0.473 1.00 0.00 C ATOM 1294 C GLU A 78 -15.532 5.538 -0.588 1.00 0.00 C ATOM 1295 O GLU A 78 -15.979 6.665 -0.506 1.00 0.00 O ATOM 1296 CB GLU A 78 -16.201 3.593 0.855 1.00 0.00 C ATOM 1297 CG GLU A 78 -16.775 2.177 0.785 1.00 0.00 C ATOM 1298 CD GLU A 78 -17.537 1.871 2.075 1.00 0.00 C ATOM 1299 OE1 GLU A 78 -16.890 1.602 3.073 1.00 0.00 O ATOM 1300 OE2 GLU A 78 -18.756 1.912 2.043 1.00 0.00 O ATOM 0 H GLU A 78 -15.692 2.440 -1.182 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.468 4.668 -0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.133 3.553 1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.669 4.146 1.669 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -17.440 2.085 -0.073 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.971 1.454 0.645 1.00 0.00 H new ATOM 1307 N LEU A 79 -14.257 5.329 -0.770 1.00 0.00 N ATOM 1308 CA LEU A 79 -13.318 6.483 -0.885 1.00 0.00 C ATOM 1309 C LEU A 79 -13.715 7.383 -2.059 1.00 0.00 C ATOM 1310 O LEU A 79 -13.542 8.584 -2.020 1.00 0.00 O ATOM 1311 CB LEU A 79 -11.947 5.854 -1.135 1.00 0.00 C ATOM 1312 CG LEU A 79 -11.576 4.949 0.041 1.00 0.00 C ATOM 1313 CD1 LEU A 79 -10.378 4.077 -0.343 1.00 0.00 C ATOM 1314 CD2 LEU A 79 -11.210 5.813 1.250 1.00 0.00 C ATOM 0 H LEU A 79 -13.824 4.409 -0.844 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.327 7.108 0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.963 5.277 -2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.195 6.633 -1.259 1.00 0.00 H new ATOM 0 HG LEU A 79 -12.424 4.311 0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.114 3.432 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.637 3.463 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.529 4.714 -0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.945 5.170 2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.362 6.450 0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -12.062 6.435 1.524 1.00 0.00 H new ATOM 1326 N ARG A 80 -14.238 6.809 -3.106 1.00 0.00 N ATOM 1327 CA ARG A 80 -14.641 7.625 -4.289 1.00 0.00 C ATOM 1328 C ARG A 80 -15.915 8.422 -3.990 1.00 0.00 C ATOM 1329 O ARG A 80 -16.192 9.423 -4.619 1.00 0.00 O ATOM 1330 CB ARG A 80 -14.901 6.608 -5.400 1.00 0.00 C ATOM 1331 CG ARG A 80 -15.436 7.330 -6.640 1.00 0.00 C ATOM 1332 CD ARG A 80 -14.503 8.490 -7.000 1.00 0.00 C ATOM 1333 NE ARG A 80 -15.181 9.193 -8.126 1.00 0.00 N ATOM 1334 CZ ARG A 80 -14.586 9.296 -9.284 1.00 0.00 C ATOM 1335 NH1 ARG A 80 -13.880 8.301 -9.744 1.00 0.00 N ATOM 1336 NH2 ARG A 80 -14.698 10.394 -9.981 1.00 0.00 N ATOM 0 H ARG A 80 -14.405 5.807 -3.195 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.874 8.350 -4.562 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.981 6.077 -5.644 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -15.620 5.861 -5.063 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.507 6.634 -7.476 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -16.442 7.704 -6.450 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.355 9.156 -6.150 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.518 8.128 -7.296 1.00 0.00 H new ATOM 0 HE ARG A 80 -16.109 9.594 -7.992 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.793 7.443 -9.200 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.415 8.381 -10.648 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.251 11.172 -9.621 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.233 10.474 -10.885 1.00 0.00 H new ATOM 1350 N ILE A 81 -16.701 7.977 -3.049 1.00 0.00 N ATOM 1351 CA ILE A 81 -17.966 8.697 -2.731 1.00 0.00 C ATOM 1352 C ILE A 81 -17.677 10.106 -2.199 1.00 0.00 C ATOM 1353 O ILE A 81 -18.273 11.070 -2.636 1.00 0.00 O ATOM 1354 CB ILE A 81 -18.645 7.834 -1.664 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -19.334 6.645 -2.341 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -19.684 8.665 -0.910 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -20.283 5.964 -1.351 1.00 0.00 C ATOM 0 H ILE A 81 -16.522 7.145 -2.486 1.00 0.00 H new ATOM 0 HA ILE A 81 -18.595 8.833 -3.611 1.00 0.00 H new ATOM 0 HB ILE A 81 -17.896 7.473 -0.959 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -19.888 6.984 -3.216 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -18.588 5.932 -2.693 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -20.164 8.046 -0.152 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -19.194 9.512 -0.430 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -20.436 9.030 -1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -20.771 5.119 -1.837 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -19.717 5.610 -0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -21.038 6.678 -1.021 1.00 0.00 H new ATOM 1369 N ARG A 82 -16.783 10.243 -1.257 1.00 0.00 N ATOM 1370 CA ARG A 82 -16.499 11.607 -0.717 1.00 0.00 C ATOM 1371 C ARG A 82 -15.923 12.514 -1.797 1.00 0.00 C ATOM 1372 O ARG A 82 -15.269 12.079 -2.725 1.00 0.00 O ATOM 1373 CB ARG A 82 -15.490 11.437 0.415 1.00 0.00 C ATOM 1374 CG ARG A 82 -14.351 10.507 -0.010 1.00 0.00 C ATOM 1375 CD ARG A 82 -14.083 9.479 1.096 1.00 0.00 C ATOM 1376 NE ARG A 82 -15.282 8.596 1.112 1.00 0.00 N ATOM 1377 CZ ARG A 82 -15.868 8.311 2.244 1.00 0.00 C ATOM 1378 NH1 ARG A 82 -15.158 7.914 3.265 1.00 0.00 N ATOM 1379 NH2 ARG A 82 -17.165 8.420 2.355 1.00 0.00 N ATOM 0 H ARG A 82 -16.244 9.483 -0.842 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.419 12.071 -0.361 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.086 12.409 0.698 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.989 11.031 1.295 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.611 9.998 -0.938 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.449 11.087 -0.207 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -13.177 8.908 0.891 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -13.941 9.967 2.060 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.646 8.214 0.239 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -14.145 7.826 3.179 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -15.616 7.692 4.149 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -17.721 8.728 1.557 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -17.622 8.197 3.239 1.00 0.00 H new ATOM 1393 N ASP A 83 -16.176 13.779 -1.667 1.00 0.00 N ATOM 1394 CA ASP A 83 -15.671 14.768 -2.664 1.00 0.00 C ATOM 1395 C ASP A 83 -14.157 14.975 -2.529 1.00 0.00 C ATOM 1396 O ASP A 83 -13.474 15.260 -3.492 1.00 0.00 O ATOM 1397 CB ASP A 83 -16.418 16.062 -2.342 1.00 0.00 C ATOM 1398 CG ASP A 83 -17.923 15.824 -2.468 1.00 0.00 C ATOM 1399 OD1 ASP A 83 -18.488 15.238 -1.558 1.00 0.00 O ATOM 1400 OD2 ASP A 83 -18.485 16.227 -3.472 1.00 0.00 O ATOM 0 H ASP A 83 -16.719 14.182 -0.903 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.840 14.431 -3.687 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -16.174 16.394 -1.333 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -16.106 16.854 -3.022 1.00 0.00 H new ATOM 1405 N ASN A 84 -13.630 14.857 -1.340 1.00 0.00 N ATOM 1406 CA ASN A 84 -12.165 15.073 -1.150 1.00 0.00 C ATOM 1407 C ASN A 84 -11.354 14.030 -1.923 1.00 0.00 C ATOM 1408 O ASN A 84 -10.212 14.256 -2.272 1.00 0.00 O ATOM 1409 CB ASN A 84 -11.934 14.921 0.353 1.00 0.00 C ATOM 1410 CG ASN A 84 -12.614 16.075 1.092 1.00 0.00 C ATOM 1411 OD1 ASN A 84 -13.826 16.158 1.128 1.00 0.00 O ATOM 1412 ND2 ASN A 84 -11.881 16.976 1.686 1.00 0.00 N ATOM 0 H ASN A 84 -14.148 14.621 -0.494 1.00 0.00 H new ATOM 0 HA ASN A 84 -11.849 16.048 -1.520 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.334 13.968 0.699 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -10.866 14.916 0.569 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.325 17.750 2.180 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.864 16.907 1.656 1.00 0.00 H new ATOM 1419 N VAL A 85 -11.926 12.889 -2.192 1.00 0.00 N ATOM 1420 CA VAL A 85 -11.173 11.844 -2.937 1.00 0.00 C ATOM 1421 C VAL A 85 -11.375 12.014 -4.446 1.00 0.00 C ATOM 1422 O VAL A 85 -12.485 11.991 -4.938 1.00 0.00 O ATOM 1423 CB VAL A 85 -11.774 10.523 -2.464 1.00 0.00 C ATOM 1424 CG1 VAL A 85 -11.303 9.394 -3.380 1.00 0.00 C ATOM 1425 CG2 VAL A 85 -11.319 10.241 -1.031 1.00 0.00 C ATOM 0 H VAL A 85 -12.879 12.637 -1.929 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.100 11.898 -2.755 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.862 10.586 -2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.731 8.450 -3.044 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.626 9.595 -4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -10.215 9.330 -3.349 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.748 9.298 -0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.231 10.177 -1.001 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.653 11.047 -0.378 1.00 0.00 H new ATOM 1435 N ARG A 86 -10.311 12.174 -5.185 1.00 0.00 N ATOM 1436 CA ARG A 86 -10.455 12.335 -6.661 1.00 0.00 C ATOM 1437 C ARG A 86 -10.344 10.970 -7.343 1.00 0.00 C ATOM 1438 O ARG A 86 -11.045 10.680 -8.292 1.00 0.00 O ATOM 1439 CB ARG A 86 -9.294 13.238 -7.078 1.00 0.00 C ATOM 1440 CG ARG A 86 -9.730 14.703 -7.000 1.00 0.00 C ATOM 1441 CD ARG A 86 -9.206 15.455 -8.226 1.00 0.00 C ATOM 1442 NE ARG A 86 -7.780 15.750 -7.914 1.00 0.00 N ATOM 1443 CZ ARG A 86 -6.915 15.883 -8.882 1.00 0.00 C ATOM 1444 NH1 ARG A 86 -7.147 16.723 -9.852 1.00 0.00 N ATOM 1445 NH2 ARG A 86 -5.817 15.179 -8.877 1.00 0.00 N ATOM 0 H ARG A 86 -9.354 12.200 -4.834 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.419 12.760 -6.942 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.436 13.068 -6.427 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.978 12.996 -8.093 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.817 14.769 -6.957 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.346 15.160 -6.088 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.296 14.851 -9.129 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.770 16.371 -8.398 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.480 15.848 -6.944 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.004 17.276 -9.854 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.471 16.827 -10.609 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.634 14.524 -8.116 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.141 15.283 -9.634 1.00 0.00 H new ATOM 1459 N ARG A 87 -9.474 10.125 -6.856 1.00 0.00 N ATOM 1460 CA ARG A 87 -9.321 8.775 -7.463 1.00 0.00 C ATOM 1461 C ARG A 87 -8.958 7.756 -6.383 1.00 0.00 C ATOM 1462 O ARG A 87 -8.400 8.093 -5.357 1.00 0.00 O ATOM 1463 CB ARG A 87 -8.170 8.911 -8.454 1.00 0.00 C ATOM 1464 CG ARG A 87 -8.339 10.186 -9.283 1.00 0.00 C ATOM 1465 CD ARG A 87 -7.576 10.041 -10.601 1.00 0.00 C ATOM 1466 NE ARG A 87 -6.407 10.956 -10.475 1.00 0.00 N ATOM 1467 CZ ARG A 87 -6.125 11.788 -11.440 1.00 0.00 C ATOM 1468 NH1 ARG A 87 -5.764 11.332 -12.609 1.00 0.00 N ATOM 1469 NH2 ARG A 87 -6.206 13.075 -11.239 1.00 0.00 N ATOM 0 H ARG A 87 -8.862 10.314 -6.062 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.239 8.435 -7.942 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.221 8.939 -7.919 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.141 8.042 -9.111 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -9.396 10.367 -9.480 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.966 11.046 -8.727 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.255 9.011 -10.760 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.201 10.315 -11.451 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.828 10.932 -9.636 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.703 10.326 -12.767 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.543 11.982 -13.364 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.490 13.432 -10.327 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.985 13.724 -11.994 1.00 0.00 H new ATOM 1483 N VAL A 88 -9.263 6.512 -6.609 1.00 0.00 N ATOM 1484 CA VAL A 88 -8.932 5.465 -5.605 1.00 0.00 C ATOM 1485 C VAL A 88 -8.233 4.289 -6.291 1.00 0.00 C ATOM 1486 O VAL A 88 -8.769 3.685 -7.200 1.00 0.00 O ATOM 1487 CB VAL A 88 -10.276 5.030 -5.027 1.00 0.00 C ATOM 1488 CG1 VAL A 88 -10.775 6.090 -4.044 1.00 0.00 C ATOM 1489 CG2 VAL A 88 -11.293 4.863 -6.159 1.00 0.00 C ATOM 0 H VAL A 88 -9.730 6.172 -7.450 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.259 5.829 -4.829 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.156 4.080 -4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.735 5.780 -3.631 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.053 6.206 -3.236 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.894 7.041 -4.564 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -12.252 4.552 -5.744 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -11.414 5.812 -6.682 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.938 4.106 -6.858 1.00 0.00 H new ATOM 1499 N MET A 89 -7.044 3.959 -5.871 1.00 0.00 N ATOM 1500 CA MET A 89 -6.324 2.823 -6.512 1.00 0.00 C ATOM 1501 C MET A 89 -5.949 1.768 -5.467 1.00 0.00 C ATOM 1502 O MET A 89 -5.181 2.020 -4.560 1.00 0.00 O ATOM 1503 CB MET A 89 -5.069 3.447 -7.125 1.00 0.00 C ATOM 1504 CG MET A 89 -5.352 3.833 -8.578 1.00 0.00 C ATOM 1505 SD MET A 89 -3.788 4.110 -9.446 1.00 0.00 S ATOM 1506 CE MET A 89 -4.467 5.023 -10.853 1.00 0.00 C ATOM 0 H MET A 89 -6.541 4.424 -5.115 1.00 0.00 H new ATOM 0 HA MET A 89 -6.935 2.317 -7.260 1.00 0.00 H new ATOM 0 HB2 MET A 89 -4.771 4.327 -6.555 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.239 2.742 -7.079 1.00 0.00 H new ATOM 0 HG2 MET A 89 -5.919 3.043 -9.071 1.00 0.00 H new ATOM 0 HG3 MET A 89 -5.964 4.734 -8.613 1.00 0.00 H new ATOM 0 HE1 MET A 89 -3.660 5.299 -11.531 1.00 0.00 H new ATOM 0 HE2 MET A 89 -5.186 4.396 -11.381 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.965 5.924 -10.496 1.00 0.00 H new ATOM 1516 N VAL A 90 -6.484 0.583 -5.595 1.00 0.00 N ATOM 1517 CA VAL A 90 -6.159 -0.497 -4.620 1.00 0.00 C ATOM 1518 C VAL A 90 -5.496 -1.671 -5.348 1.00 0.00 C ATOM 1519 O VAL A 90 -6.061 -2.248 -6.255 1.00 0.00 O ATOM 1520 CB VAL A 90 -7.507 -0.922 -4.032 1.00 0.00 C ATOM 1521 CG1 VAL A 90 -7.349 -2.251 -3.292 1.00 0.00 C ATOM 1522 CG2 VAL A 90 -7.997 0.149 -3.052 1.00 0.00 C ATOM 0 H VAL A 90 -7.134 0.316 -6.335 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.467 -0.165 -3.846 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.231 -1.039 -4.838 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.310 -2.551 -2.874 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.001 -3.015 -3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.624 -2.135 -2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.957 -0.153 -2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.271 0.266 -2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.113 1.097 -3.577 1.00 0.00 H new ATOM 1532 N VAL A 91 -4.301 -2.025 -4.962 1.00 0.00 N ATOM 1533 CA VAL A 91 -3.606 -3.157 -5.643 1.00 0.00 C ATOM 1534 C VAL A 91 -3.353 -4.301 -4.656 1.00 0.00 C ATOM 1535 O VAL A 91 -3.068 -4.081 -3.494 1.00 0.00 O ATOM 1536 CB VAL A 91 -2.283 -2.574 -6.143 1.00 0.00 C ATOM 1537 CG1 VAL A 91 -2.535 -1.751 -7.407 1.00 0.00 C ATOM 1538 CG2 VAL A 91 -1.673 -1.675 -5.064 1.00 0.00 C ATOM 0 H VAL A 91 -3.776 -1.582 -4.208 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.200 -3.571 -6.458 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.593 -3.388 -6.367 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.593 -1.335 -7.764 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.965 -2.391 -8.178 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.227 -0.940 -7.181 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.731 -1.262 -5.424 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.362 -0.862 -4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.491 -2.260 -4.163 1.00 0.00 H new ATOM 1548 N LYS A 92 -3.455 -5.519 -5.110 1.00 0.00 N ATOM 1549 CA LYS A 92 -3.224 -6.678 -4.202 1.00 0.00 C ATOM 1550 C LYS A 92 -1.737 -6.791 -3.850 1.00 0.00 C ATOM 1551 O LYS A 92 -0.876 -6.461 -4.641 1.00 0.00 O ATOM 1552 CB LYS A 92 -3.683 -7.903 -4.996 1.00 0.00 C ATOM 1553 CG LYS A 92 -2.650 -8.232 -6.077 1.00 0.00 C ATOM 1554 CD LYS A 92 -3.292 -9.128 -7.139 1.00 0.00 C ATOM 1555 CE LYS A 92 -2.247 -9.505 -8.191 1.00 0.00 C ATOM 1556 NZ LYS A 92 -2.741 -10.780 -8.782 1.00 0.00 N ATOM 0 H LYS A 92 -3.689 -5.763 -6.072 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.764 -6.577 -3.261 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.809 -8.755 -4.328 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.653 -7.710 -5.453 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.281 -7.314 -6.535 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -1.790 -8.734 -5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.696 -10.027 -6.675 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.127 -8.610 -7.610 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.152 -8.728 -8.950 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.262 -9.633 -7.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -2.077 -11.104 -9.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.815 -11.502 -8.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.677 -10.625 -9.208 1.00 0.00 H new ATOM 1570 N SER A 93 -1.432 -7.258 -2.671 1.00 0.00 N ATOM 1571 CA SER A 93 -0.003 -7.396 -2.270 1.00 0.00 C ATOM 1572 C SER A 93 0.152 -8.539 -1.263 1.00 0.00 C ATOM 1573 O SER A 93 -0.036 -8.364 -0.076 1.00 0.00 O ATOM 1574 CB SER A 93 0.358 -6.059 -1.624 1.00 0.00 C ATOM 1575 OG SER A 93 1.771 -5.954 -1.517 1.00 0.00 O ATOM 0 H SER A 93 -2.110 -7.550 -1.968 1.00 0.00 H new ATOM 0 HA SER A 93 0.645 -7.626 -3.116 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.035 -5.236 -2.221 1.00 0.00 H new ATOM 0 HB3 SER A 93 -0.099 -5.984 -0.637 1.00 0.00 H new ATOM 0 HG SER A 93 2.036 -5.013 -1.592 1.00 0.00 H new