USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 658 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 4 LYS NZ :NH3+ -144:sc= 0.971 (180deg=0.649) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc=-0.00314 USER MOD Single : A 8 GLN : amide:sc= 0.47 K(o=0.47,f=-2.5!) USER MOD Single : A 12 LYS NZ :NH3+ -166:sc= 1.19 (180deg=1.08) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HE2:sc= -0.114 K(o=-0.11,f=-5.2!) USER MOD Single : A 27 HIS : no HD1:sc= 0.742 K(o=0.74,f=-5.7!) USER MOD Single : A 28 LYS NZ :NH3+ -172:sc= 0.278 (180deg=0.179) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.195 F(o=-2.7!,f=-0.19) USER MOD Single : A 38 ASN : amide:sc= -1.67! C(o=-1.7!,f=-6.3!) USER MOD Single : A 42 SER OG : rot 18:sc= 0.395 USER MOD Single : A 47 LYS NZ :NH3+ -163:sc= 1.2 (180deg=0.308) USER MOD Single : A 48 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0618) USER MOD Single : A 57 GLN : amide:sc= 0.206 X(o=0.21,f=-0.076) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot -97:sc= 1.22 USER MOD Single : A 74 GLN :FLIP amide:sc= -0.602 F(o=-3.1!,f=-0.6) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0918 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -57:sc= 0.432 USER MOD ----------------------------------------------------------------- ATOM 10 N ILE A 3 -8.864 5.936 -0.941 1.00 0.00 N ATOM 11 CA ILE A 3 -7.436 5.942 -1.361 1.00 0.00 C ATOM 12 C ILE A 3 -7.079 6.861 -2.560 1.00 0.00 C ATOM 13 O ILE A 3 -6.119 7.621 -2.493 1.00 0.00 O ATOM 14 CB ILE A 3 -6.774 4.525 -1.513 1.00 0.00 C ATOM 15 CG1 ILE A 3 -5.270 4.619 -1.298 1.00 0.00 C ATOM 16 CG2 ILE A 3 -7.050 3.868 -2.872 1.00 0.00 C ATOM 17 CD1 ILE A 3 -4.879 5.019 0.120 1.00 0.00 C ATOM 0 HA ILE A 3 -6.978 6.408 -0.489 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.230 3.894 -0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.817 3.656 -1.532 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.856 5.345 -1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.564 2.893 -2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.125 3.744 -3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.657 4.500 -3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.793 5.066 0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.302 5.996 0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.262 4.281 0.825 1.00 0.00 H new ATOM 29 N LYS A 4 -7.883 6.849 -3.615 1.00 0.00 N ATOM 30 CA LYS A 4 -7.576 7.608 -4.848 1.00 0.00 C ATOM 31 C LYS A 4 -7.731 9.121 -4.642 1.00 0.00 C ATOM 32 O LYS A 4 -7.482 9.914 -5.550 1.00 0.00 O ATOM 33 CB LYS A 4 -8.479 7.153 -6.004 1.00 0.00 C ATOM 34 CG LYS A 4 -9.941 7.534 -5.829 1.00 0.00 C ATOM 35 CD LYS A 4 -10.790 7.055 -6.985 1.00 0.00 C ATOM 36 CE LYS A 4 -12.211 7.571 -6.868 1.00 0.00 C ATOM 37 NZ LYS A 4 -13.102 7.012 -7.906 1.00 0.00 N ATOM 0 H LYS A 4 -8.757 6.325 -3.654 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.535 7.403 -5.097 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.109 7.586 -6.933 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.405 6.070 -6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.319 7.107 -4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.026 8.617 -5.740 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.353 7.392 -7.925 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.796 5.965 -7.009 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.605 7.322 -5.883 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.207 8.658 -6.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.787 7.736 -8.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.536 6.715 -8.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.611 6.191 -7.521 1.00 0.00 H new ATOM 51 N GLN A 5 -8.114 9.498 -3.453 1.00 0.00 N ATOM 52 CA GLN A 5 -8.371 10.875 -3.124 1.00 0.00 C ATOM 53 C GLN A 5 -7.282 11.450 -2.215 1.00 0.00 C ATOM 54 O GLN A 5 -7.397 12.567 -1.721 1.00 0.00 O ATOM 55 CB GLN A 5 -9.764 10.998 -2.509 1.00 0.00 C ATOM 56 CG GLN A 5 -9.989 10.110 -1.298 1.00 0.00 C ATOM 57 CD GLN A 5 -11.441 10.051 -0.899 1.00 0.00 C ATOM 58 OE1 GLN A 5 -11.920 10.850 -0.102 1.00 0.00 O ATOM 59 NE2 GLN A 5 -12.159 9.121 -1.465 1.00 0.00 N ATOM 0 H GLN A 5 -8.258 8.852 -2.677 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.345 11.470 -4.037 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.932 12.036 -2.221 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -10.507 10.754 -3.268 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.632 9.103 -1.516 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.399 10.483 -0.461 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.727 8.473 -2.124 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -13.153 9.042 -1.249 1.00 0.00 H new ATOM 68 N TYR A 6 -6.234 10.687 -1.998 1.00 0.00 N ATOM 69 CA TYR A 6 -5.113 11.166 -1.210 1.00 0.00 C ATOM 70 C TYR A 6 -3.982 11.569 -2.142 1.00 0.00 C ATOM 71 O TYR A 6 -4.153 11.597 -3.369 1.00 0.00 O ATOM 72 CB TYR A 6 -4.614 10.107 -0.235 1.00 0.00 C ATOM 73 CG TYR A 6 -5.610 9.647 0.790 1.00 0.00 C ATOM 74 CD1 TYR A 6 -5.984 10.448 1.863 1.00 0.00 C ATOM 75 CD2 TYR A 6 -6.149 8.404 0.695 1.00 0.00 C ATOM 76 CE1 TYR A 6 -6.886 9.988 2.805 1.00 0.00 C ATOM 77 CE2 TYR A 6 -7.043 7.933 1.622 1.00 0.00 C ATOM 78 CZ TYR A 6 -7.410 8.726 2.675 1.00 0.00 C ATOM 79 OH TYR A 6 -8.309 8.254 3.601 1.00 0.00 O ATOM 0 H TYR A 6 -6.131 9.736 -2.353 1.00 0.00 H new ATOM 0 HA TYR A 6 -5.451 12.023 -0.628 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -4.282 9.241 -0.807 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.740 10.500 0.285 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.566 11.439 1.962 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.866 7.770 -0.132 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -7.175 10.616 3.635 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.456 6.940 1.521 1.00 0.00 H new ATOM 0 HH TYR A 6 -8.581 7.344 3.359 1.00 0.00 H new ATOM 89 N SER A 7 -2.847 11.884 -1.576 1.00 0.00 N ATOM 90 CA SER A 7 -1.690 12.295 -2.321 1.00 0.00 C ATOM 91 C SER A 7 -0.453 11.642 -1.685 1.00 0.00 C ATOM 92 O SER A 7 -0.551 11.148 -0.576 1.00 0.00 O ATOM 93 CB SER A 7 -1.635 13.812 -2.337 1.00 0.00 C ATOM 94 OG SER A 7 -2.836 14.328 -2.910 1.00 0.00 O ATOM 0 H SER A 7 -2.700 11.861 -0.567 1.00 0.00 H new ATOM 0 HA SER A 7 -1.730 11.970 -3.361 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.511 14.192 -1.323 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.772 14.149 -2.911 1.00 0.00 H new ATOM 0 HG SER A 7 -2.800 15.307 -2.918 1.00 0.00 H new ATOM 100 N GLN A 8 0.699 11.731 -2.326 1.00 0.00 N ATOM 101 CA GLN A 8 1.871 10.889 -1.991 1.00 0.00 C ATOM 102 C GLN A 8 2.305 10.924 -0.503 1.00 0.00 C ATOM 103 O GLN A 8 2.466 9.877 0.079 1.00 0.00 O ATOM 104 CB GLN A 8 3.048 11.243 -2.893 1.00 0.00 C ATOM 105 CG GLN A 8 3.592 12.603 -2.616 1.00 0.00 C ATOM 106 CD GLN A 8 4.630 13.066 -3.588 1.00 0.00 C ATOM 107 OE1 GLN A 8 4.598 12.725 -4.753 1.00 0.00 O ATOM 108 NE2 GLN A 8 5.573 13.817 -3.102 1.00 0.00 N ATOM 0 H GLN A 8 0.865 12.382 -3.094 1.00 0.00 H new ATOM 0 HA GLN A 8 1.546 9.864 -2.168 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.839 10.505 -2.759 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.733 11.187 -3.935 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.768 13.317 -2.616 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.021 12.612 -1.614 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.559 14.079 -2.116 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.327 14.144 -3.706 1.00 0.00 H new ATOM 117 N GLU A 9 2.443 12.115 0.097 1.00 0.00 N ATOM 118 CA GLU A 9 2.888 12.265 1.506 1.00 0.00 C ATOM 119 C GLU A 9 2.044 11.479 2.480 1.00 0.00 C ATOM 120 O GLU A 9 2.518 11.014 3.505 1.00 0.00 O ATOM 121 CB GLU A 9 2.915 13.730 1.911 1.00 0.00 C ATOM 122 CG GLU A 9 4.232 14.398 1.643 1.00 0.00 C ATOM 123 CD GLU A 9 4.639 14.446 0.189 1.00 0.00 C ATOM 124 OE1 GLU A 9 4.250 15.395 -0.522 1.00 0.00 O ATOM 125 OE2 GLU A 9 5.383 13.553 -0.264 1.00 0.00 O ATOM 0 H GLU A 9 2.253 13.002 -0.370 1.00 0.00 H new ATOM 0 HA GLU A 9 3.897 11.855 1.550 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.130 14.262 1.374 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.685 13.810 2.973 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.190 15.417 2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.007 13.877 2.205 1.00 0.00 H new ATOM 132 N GLU A 10 0.823 11.337 2.128 1.00 0.00 N ATOM 133 CA GLU A 10 -0.146 10.616 2.914 1.00 0.00 C ATOM 134 C GLU A 10 0.159 9.103 2.802 1.00 0.00 C ATOM 135 O GLU A 10 0.486 8.449 3.797 1.00 0.00 O ATOM 136 CB GLU A 10 -1.527 10.970 2.333 1.00 0.00 C ATOM 137 CG GLU A 10 -2.762 10.619 3.166 1.00 0.00 C ATOM 138 CD GLU A 10 -3.026 9.150 3.333 1.00 0.00 C ATOM 139 OE1 GLU A 10 -2.843 8.400 2.360 1.00 0.00 O ATOM 140 OE2 GLU A 10 -3.413 8.756 4.438 1.00 0.00 O ATOM 0 H GLU A 10 0.443 11.724 1.264 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.117 10.879 3.971 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.545 12.043 2.142 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.622 10.473 1.367 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.653 11.067 4.154 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.635 11.078 2.703 1.00 0.00 H new ATOM 147 N LEU A 11 0.202 8.606 1.565 1.00 0.00 N ATOM 148 CA LEU A 11 0.432 7.180 1.299 1.00 0.00 C ATOM 149 C LEU A 11 1.840 6.746 1.725 1.00 0.00 C ATOM 150 O LEU A 11 2.087 5.564 1.999 1.00 0.00 O ATOM 151 CB LEU A 11 0.171 6.782 -0.181 1.00 0.00 C ATOM 152 CG LEU A 11 -1.258 6.927 -0.741 1.00 0.00 C ATOM 153 CD1 LEU A 11 -1.574 8.362 -1.081 1.00 0.00 C ATOM 154 CD2 LEU A 11 -1.463 6.042 -1.955 1.00 0.00 C ATOM 0 H LEU A 11 0.080 9.172 0.725 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.300 6.648 1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.834 7.379 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.470 5.741 -0.302 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.945 6.604 0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.589 8.428 -1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.491 8.975 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.871 8.721 -1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.480 6.166 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.754 6.323 -2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.303 5.000 -1.677 1.00 0.00 H new ATOM 166 N LYS A 12 2.767 7.697 1.726 1.00 0.00 N ATOM 167 CA LYS A 12 4.144 7.468 2.157 1.00 0.00 C ATOM 168 C LYS A 12 4.213 7.076 3.621 1.00 0.00 C ATOM 169 O LYS A 12 5.038 6.246 3.998 1.00 0.00 O ATOM 170 CB LYS A 12 5.012 8.727 1.936 1.00 0.00 C ATOM 171 CG LYS A 12 5.380 9.029 0.485 1.00 0.00 C ATOM 172 CD LYS A 12 6.374 8.021 -0.089 1.00 0.00 C ATOM 173 CE LYS A 12 7.756 8.179 0.521 1.00 0.00 C ATOM 174 NZ LYS A 12 8.723 7.158 0.015 1.00 0.00 N ATOM 0 H LYS A 12 2.585 8.655 1.426 1.00 0.00 H new ATOM 0 HA LYS A 12 4.530 6.648 1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.482 9.588 2.344 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.932 8.617 2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.476 9.029 -0.123 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.806 10.030 0.423 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.011 7.009 0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.437 8.148 -1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.136 9.176 0.299 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.683 8.100 1.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.568 7.150 0.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.277 6.219 0.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.998 7.393 -0.960 1.00 0.00 H new ATOM 188 N GLU A 13 3.336 7.640 4.432 1.00 0.00 N ATOM 189 CA GLU A 13 3.419 7.430 5.863 1.00 0.00 C ATOM 190 C GLU A 13 2.361 6.461 6.394 1.00 0.00 C ATOM 191 O GLU A 13 2.518 5.917 7.487 1.00 0.00 O ATOM 192 CB GLU A 13 3.301 8.762 6.614 1.00 0.00 C ATOM 193 CG GLU A 13 4.287 9.846 6.179 1.00 0.00 C ATOM 194 CD GLU A 13 5.735 9.407 6.207 1.00 0.00 C ATOM 195 OE1 GLU A 13 6.155 8.709 7.162 1.00 0.00 O ATOM 196 OE2 GLU A 13 6.501 9.792 5.283 1.00 0.00 O ATOM 0 H GLU A 13 2.568 8.239 4.128 1.00 0.00 H new ATOM 0 HA GLU A 13 4.396 6.980 6.042 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.288 9.143 6.487 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.440 8.574 7.679 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.035 10.168 5.169 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.168 10.713 6.829 1.00 0.00 H new ATOM 203 N MET A 14 1.292 6.238 5.650 1.00 0.00 N ATOM 204 CA MET A 14 0.193 5.415 6.174 1.00 0.00 C ATOM 205 C MET A 14 0.349 3.930 5.864 1.00 0.00 C ATOM 206 O MET A 14 1.243 3.537 5.089 1.00 0.00 O ATOM 207 CB MET A 14 -1.164 5.940 5.731 1.00 0.00 C ATOM 208 CG MET A 14 -1.378 7.396 6.096 1.00 0.00 C ATOM 209 SD MET A 14 -1.075 7.759 7.840 1.00 0.00 S ATOM 210 CE MET A 14 -1.358 9.529 7.851 1.00 0.00 C ATOM 0 H MET A 14 1.153 6.599 4.706 1.00 0.00 H new ATOM 0 HA MET A 14 0.247 5.502 7.259 1.00 0.00 H new ATOM 0 HB2 MET A 14 -1.259 5.823 4.651 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.949 5.337 6.187 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.721 8.015 5.486 1.00 0.00 H new ATOM 0 HG3 MET A 14 -2.401 7.677 5.848 1.00 0.00 H new ATOM 0 HE1 MET A 14 -1.211 9.915 8.860 1.00 0.00 H new ATOM 0 HE2 MET A 14 -0.657 10.014 7.171 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.378 9.736 7.528 1.00 0.00 H new ATOM 220 N ALA A 15 -0.524 3.110 6.469 1.00 0.00 N ATOM 221 CA ALA A 15 -0.446 1.656 6.378 1.00 0.00 C ATOM 222 C ALA A 15 -0.672 1.170 4.965 1.00 0.00 C ATOM 223 O ALA A 15 -1.686 1.475 4.336 1.00 0.00 O ATOM 224 CB ALA A 15 -1.457 1.011 7.319 1.00 0.00 C ATOM 0 H ALA A 15 -1.304 3.444 7.035 1.00 0.00 H new ATOM 0 HA ALA A 15 0.561 1.363 6.675 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.387 -0.074 7.240 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.245 1.315 8.344 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.463 1.330 7.047 1.00 0.00 H new ATOM 230 N LEU A 16 0.227 0.344 4.520 1.00 0.00 N ATOM 231 CA LEU A 16 0.227 -0.150 3.172 1.00 0.00 C ATOM 232 C LEU A 16 -0.898 -1.141 2.864 1.00 0.00 C ATOM 233 O LEU A 16 -1.521 -1.054 1.799 1.00 0.00 O ATOM 234 CB LEU A 16 1.638 -0.593 2.668 1.00 0.00 C ATOM 235 CG LEU A 16 2.470 -1.630 3.478 1.00 0.00 C ATOM 236 CD1 LEU A 16 3.692 -2.005 2.686 1.00 0.00 C ATOM 237 CD2 LEU A 16 2.942 -1.077 4.828 1.00 0.00 C ATOM 0 H LEU A 16 0.994 -0.012 5.091 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.021 0.717 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.510 -0.995 1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.245 0.307 2.576 1.00 0.00 H new ATOM 0 HG LEU A 16 1.823 -2.488 3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.280 -2.731 3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.389 -2.441 1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.294 -1.115 2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.517 -1.840 5.353 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.568 -0.200 4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.077 -0.798 5.429 1.00 0.00 H new ATOM 249 N VAL A 17 -1.187 -2.055 3.785 1.00 0.00 N ATOM 250 CA VAL A 17 -2.305 -2.987 3.605 1.00 0.00 C ATOM 251 C VAL A 17 -3.668 -2.235 3.547 1.00 0.00 C ATOM 252 O VAL A 17 -4.601 -2.662 2.854 1.00 0.00 O ATOM 253 CB VAL A 17 -2.332 -4.099 4.705 1.00 0.00 C ATOM 254 CG1 VAL A 17 -2.622 -3.538 6.097 1.00 0.00 C ATOM 255 CG2 VAL A 17 -3.303 -5.210 4.343 1.00 0.00 C ATOM 0 H VAL A 17 -0.671 -2.173 4.657 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.147 -3.482 2.647 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.330 -4.527 4.743 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.629 -4.351 6.823 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.850 -2.818 6.367 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.594 -3.044 6.095 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.298 -5.967 5.127 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.307 -4.797 4.243 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.001 -5.664 3.399 1.00 0.00 H new ATOM 265 N GLU A 18 -3.750 -1.099 4.239 1.00 0.00 N ATOM 266 CA GLU A 18 -4.969 -0.285 4.259 1.00 0.00 C ATOM 267 C GLU A 18 -5.137 0.369 2.881 1.00 0.00 C ATOM 268 O GLU A 18 -6.232 0.377 2.302 1.00 0.00 O ATOM 269 CB GLU A 18 -4.858 0.788 5.354 1.00 0.00 C ATOM 270 CG GLU A 18 -6.139 1.576 5.629 1.00 0.00 C ATOM 271 CD GLU A 18 -7.246 0.730 6.235 1.00 0.00 C ATOM 272 OE1 GLU A 18 -7.153 0.384 7.432 1.00 0.00 O ATOM 273 OE2 GLU A 18 -8.241 0.423 5.558 1.00 0.00 O ATOM 0 H GLU A 18 -2.985 -0.719 4.796 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.837 -0.907 4.477 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.541 0.308 6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.072 1.490 5.074 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.912 2.402 6.303 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.495 2.014 4.697 1.00 0.00 H new ATOM 280 N ILE A 19 -4.016 0.876 2.351 1.00 0.00 N ATOM 281 CA ILE A 19 -3.960 1.467 1.012 1.00 0.00 C ATOM 282 C ILE A 19 -4.450 0.447 -0.012 1.00 0.00 C ATOM 283 O ILE A 19 -5.295 0.747 -0.872 1.00 0.00 O ATOM 284 CB ILE A 19 -2.497 1.889 0.651 1.00 0.00 C ATOM 285 CG1 ILE A 19 -1.988 2.964 1.627 1.00 0.00 C ATOM 286 CG2 ILE A 19 -2.406 2.384 -0.792 1.00 0.00 C ATOM 287 CD1 ILE A 19 -0.548 3.381 1.401 1.00 0.00 C ATOM 0 H ILE A 19 -3.122 0.887 2.842 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.595 2.353 0.998 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.861 1.009 0.744 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.626 3.844 1.545 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.090 2.590 2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.378 2.670 -1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.716 1.589 -1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.059 3.247 -0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.270 4.141 2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.104 2.515 1.514 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.440 3.788 0.395 1.00 0.00 H new ATOM 299 N ALA A 20 -3.935 -0.766 0.120 1.00 0.00 N ATOM 300 CA ALA A 20 -4.295 -1.858 -0.747 1.00 0.00 C ATOM 301 C ALA A 20 -5.784 -2.158 -0.663 1.00 0.00 C ATOM 302 O ALA A 20 -6.420 -2.360 -1.683 1.00 0.00 O ATOM 303 CB ALA A 20 -3.479 -3.090 -0.419 1.00 0.00 C ATOM 0 H ALA A 20 -3.253 -1.013 0.837 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.072 -1.562 -1.772 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.766 -3.904 -1.085 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.419 -2.870 -0.550 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.664 -3.384 0.614 1.00 0.00 H new ATOM 309 N HIS A 21 -6.345 -2.142 0.558 1.00 0.00 N ATOM 310 CA HIS A 21 -7.778 -2.408 0.757 1.00 0.00 C ATOM 311 C HIS A 21 -8.619 -1.504 -0.122 1.00 0.00 C ATOM 312 O HIS A 21 -9.499 -1.967 -0.847 1.00 0.00 O ATOM 313 CB HIS A 21 -8.195 -2.186 2.232 1.00 0.00 C ATOM 314 CG HIS A 21 -9.676 -2.402 2.475 1.00 0.00 C ATOM 315 ND1 HIS A 21 -10.645 -1.464 2.163 1.00 0.00 N ATOM 316 CD2 HIS A 21 -10.347 -3.494 2.889 1.00 0.00 C ATOM 317 CE1 HIS A 21 -11.817 -1.979 2.349 1.00 0.00 C ATOM 318 NE2 HIS A 21 -11.682 -3.212 2.800 1.00 0.00 N ATOM 0 H HIS A 21 -5.830 -1.949 1.417 1.00 0.00 H new ATOM 0 HA HIS A 21 -7.948 -3.451 0.488 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -7.627 -2.864 2.869 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -7.929 -1.171 2.529 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -10.463 -0.515 1.837 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -9.911 -4.422 3.229 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -12.757 -1.479 2.165 1.00 0.00 H new ATOM 327 N GLU A 22 -8.328 -0.239 -0.060 1.00 0.00 N ATOM 328 CA GLU A 22 -9.087 0.762 -0.765 1.00 0.00 C ATOM 329 C GLU A 22 -8.976 0.659 -2.251 1.00 0.00 C ATOM 330 O GLU A 22 -9.917 0.975 -2.974 1.00 0.00 O ATOM 331 CB GLU A 22 -8.682 2.103 -0.309 1.00 0.00 C ATOM 332 CG GLU A 22 -9.162 2.394 1.075 1.00 0.00 C ATOM 333 CD GLU A 22 -10.648 2.128 1.178 1.00 0.00 C ATOM 334 OE1 GLU A 22 -11.442 2.843 0.535 1.00 0.00 O ATOM 335 OE2 GLU A 22 -11.042 1.148 1.842 1.00 0.00 O ATOM 0 H GLU A 22 -7.551 0.135 0.485 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.137 0.587 -0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.595 2.183 -0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.077 2.853 -0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.624 1.775 1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.952 3.433 1.330 1.00 0.00 H new ATOM 342 N LEU A 23 -7.852 0.213 -2.695 1.00 0.00 N ATOM 343 CA LEU A 23 -7.600 0.008 -4.090 1.00 0.00 C ATOM 344 C LEU A 23 -8.574 -1.046 -4.638 1.00 0.00 C ATOM 345 O LEU A 23 -9.191 -0.869 -5.697 1.00 0.00 O ATOM 346 CB LEU A 23 -6.165 -0.431 -4.226 1.00 0.00 C ATOM 347 CG LEU A 23 -5.620 -0.707 -5.603 1.00 0.00 C ATOM 348 CD1 LEU A 23 -5.773 0.512 -6.502 1.00 0.00 C ATOM 349 CD2 LEU A 23 -4.178 -1.054 -5.433 1.00 0.00 C ATOM 0 H LEU A 23 -7.064 -0.026 -2.093 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.756 0.920 -4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.540 0.337 -3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.039 -1.337 -3.633 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.166 -1.522 -6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.372 0.288 -7.491 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.828 0.770 -6.588 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.228 1.352 -6.072 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.737 -1.263 -6.407 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.655 -0.218 -4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.088 -1.935 -4.797 1.00 0.00 H new ATOM 361 N PHE A 24 -8.747 -2.104 -3.880 1.00 0.00 N ATOM 362 CA PHE A 24 -9.680 -3.155 -4.234 1.00 0.00 C ATOM 363 C PHE A 24 -11.107 -2.684 -4.032 1.00 0.00 C ATOM 364 O PHE A 24 -11.972 -2.990 -4.829 1.00 0.00 O ATOM 365 CB PHE A 24 -9.427 -4.417 -3.417 1.00 0.00 C ATOM 366 CG PHE A 24 -8.157 -5.132 -3.749 1.00 0.00 C ATOM 367 CD1 PHE A 24 -6.934 -4.593 -3.431 1.00 0.00 C ATOM 368 CD2 PHE A 24 -8.193 -6.348 -4.376 1.00 0.00 C ATOM 369 CE1 PHE A 24 -5.770 -5.246 -3.733 1.00 0.00 C ATOM 370 CE2 PHE A 24 -7.033 -7.010 -4.678 1.00 0.00 C ATOM 371 CZ PHE A 24 -5.822 -6.461 -4.360 1.00 0.00 C ATOM 0 H PHE A 24 -8.249 -2.263 -3.004 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.529 -3.395 -5.286 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.413 -4.152 -2.360 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.262 -5.102 -3.563 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.890 -3.636 -2.933 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.144 -6.789 -4.635 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.817 -4.806 -3.478 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.075 -7.971 -5.170 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.909 -6.985 -4.603 1.00 0.00 H new ATOM 381 N GLU A 25 -11.322 -1.911 -2.978 1.00 0.00 N ATOM 382 CA GLU A 25 -12.634 -1.359 -2.641 1.00 0.00 C ATOM 383 C GLU A 25 -13.155 -0.506 -3.799 1.00 0.00 C ATOM 384 O GLU A 25 -14.291 -0.660 -4.248 1.00 0.00 O ATOM 385 CB GLU A 25 -12.515 -0.489 -1.386 1.00 0.00 C ATOM 386 CG GLU A 25 -13.832 0.037 -0.849 1.00 0.00 C ATOM 387 CD GLU A 25 -14.700 -1.052 -0.282 1.00 0.00 C ATOM 388 OE1 GLU A 25 -15.452 -1.699 -1.036 1.00 0.00 O ATOM 389 OE2 GLU A 25 -14.644 -1.282 0.936 1.00 0.00 O ATOM 0 H GLU A 25 -10.586 -1.644 -2.324 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.329 -2.179 -2.457 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.026 -1.069 -0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.865 0.358 -1.608 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.635 0.779 -0.076 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.370 0.546 -1.649 1.00 0.00 H new ATOM 396 N GLU A 26 -12.307 0.362 -4.280 1.00 0.00 N ATOM 397 CA GLU A 26 -12.628 1.253 -5.367 1.00 0.00 C ATOM 398 C GLU A 26 -12.872 0.444 -6.653 1.00 0.00 C ATOM 399 O GLU A 26 -13.838 0.682 -7.381 1.00 0.00 O ATOM 400 CB GLU A 26 -11.472 2.246 -5.530 1.00 0.00 C ATOM 401 CG GLU A 26 -11.680 3.334 -6.559 1.00 0.00 C ATOM 402 CD GLU A 26 -12.906 4.183 -6.298 1.00 0.00 C ATOM 403 OE1 GLU A 26 -13.108 4.661 -5.157 1.00 0.00 O ATOM 404 OE2 GLU A 26 -13.685 4.413 -7.243 1.00 0.00 O ATOM 0 H GLU A 26 -11.358 0.474 -3.923 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.543 1.807 -5.157 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.283 2.716 -4.565 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.574 1.689 -5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.800 3.977 -6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.766 2.879 -7.546 1.00 0.00 H new ATOM 411 N HIS A 27 -12.020 -0.545 -6.885 1.00 0.00 N ATOM 412 CA HIS A 27 -12.125 -1.405 -8.066 1.00 0.00 C ATOM 413 C HIS A 27 -13.388 -2.240 -8.092 1.00 0.00 C ATOM 414 O HIS A 27 -14.031 -2.324 -9.129 1.00 0.00 O ATOM 415 CB HIS A 27 -10.914 -2.330 -8.218 1.00 0.00 C ATOM 416 CG HIS A 27 -9.808 -1.773 -9.044 1.00 0.00 C ATOM 417 ND1 HIS A 27 -9.524 -2.237 -10.300 1.00 0.00 N ATOM 418 CD2 HIS A 27 -8.904 -0.805 -8.798 1.00 0.00 C ATOM 419 CE1 HIS A 27 -8.507 -1.583 -10.783 1.00 0.00 C ATOM 420 NE2 HIS A 27 -8.115 -0.715 -9.899 1.00 0.00 N ATOM 0 H HIS A 27 -11.241 -0.776 -6.268 1.00 0.00 H new ATOM 0 HA HIS A 27 -12.160 -0.712 -8.907 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.526 -2.565 -7.227 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -11.244 -3.269 -8.662 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.823 -0.214 -7.898 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.063 -1.736 -11.756 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -7.336 -0.067 -10.014 1.00 0.00 H new ATOM 429 N LYS A 28 -13.732 -2.848 -6.936 1.00 0.00 N ATOM 430 CA LYS A 28 -14.862 -3.816 -6.797 1.00 0.00 C ATOM 431 C LYS A 28 -14.480 -5.107 -7.502 1.00 0.00 C ATOM 432 O LYS A 28 -15.314 -5.963 -7.791 1.00 0.00 O ATOM 433 CB LYS A 28 -16.169 -3.263 -7.386 1.00 0.00 C ATOM 434 CG LYS A 28 -16.672 -1.987 -6.734 1.00 0.00 C ATOM 435 CD LYS A 28 -17.783 -1.351 -7.557 1.00 0.00 C ATOM 436 CE LYS A 28 -17.265 -0.838 -8.908 1.00 0.00 C ATOM 437 NZ LYS A 28 -16.203 0.194 -8.752 1.00 0.00 N ATOM 0 H LYS A 28 -13.234 -2.685 -6.061 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.039 -3.994 -5.736 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.021 -3.077 -8.450 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.942 -4.027 -7.300 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -17.039 -2.208 -5.732 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.848 -1.282 -6.624 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.576 -2.080 -7.724 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.223 -0.525 -6.998 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.873 -1.675 -9.486 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.095 -0.419 -9.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.981 0.607 -9.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.537 0.942 -8.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.348 -0.245 -8.355 1.00 0.00 H new ATOM 451 N LYS A 29 -13.193 -5.238 -7.736 1.00 0.00 N ATOM 452 CA LYS A 29 -12.616 -6.325 -8.468 1.00 0.00 C ATOM 453 C LYS A 29 -11.300 -6.708 -7.857 1.00 0.00 C ATOM 454 O LYS A 29 -10.636 -5.862 -7.237 1.00 0.00 O ATOM 455 CB LYS A 29 -12.412 -5.944 -9.941 1.00 0.00 C ATOM 456 CG LYS A 29 -13.688 -5.948 -10.741 1.00 0.00 C ATOM 457 CD LYS A 29 -13.486 -5.580 -12.195 1.00 0.00 C ATOM 458 CE LYS A 29 -12.421 -6.439 -12.880 1.00 0.00 C ATOM 459 NZ LYS A 29 -12.219 -6.056 -14.297 1.00 0.00 N ATOM 0 H LYS A 29 -12.502 -4.563 -7.407 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.300 -7.172 -8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.962 -4.953 -9.993 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.705 -6.639 -10.394 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.141 -6.938 -10.684 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.393 -5.248 -10.291 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.431 -5.688 -12.727 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.199 -4.531 -12.263 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.478 -6.343 -12.342 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.713 -7.488 -12.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.489 -6.664 -14.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.111 -6.172 -14.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.914 -5.063 -14.348 1.00 0.00 H new ATOM 473 N PRO A 30 -10.905 -7.972 -7.997 1.00 0.00 N ATOM 474 CA PRO A 30 -9.663 -8.448 -7.462 1.00 0.00 C ATOM 475 C PRO A 30 -8.500 -8.100 -8.373 1.00 0.00 C ATOM 476 O PRO A 30 -8.600 -8.171 -9.611 1.00 0.00 O ATOM 477 CB PRO A 30 -9.863 -9.949 -7.366 1.00 0.00 C ATOM 478 CG PRO A 30 -10.866 -10.292 -8.415 1.00 0.00 C ATOM 479 CD PRO A 30 -11.642 -9.037 -8.713 1.00 0.00 C ATOM 0 HA PRO A 30 -9.418 -7.996 -6.501 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.926 -10.480 -7.532 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.219 -10.234 -6.376 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.372 -10.662 -9.314 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.531 -11.083 -8.068 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.684 -8.840 -9.784 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.671 -9.113 -8.362 1.00 0.00 H new ATOM 487 N VAL A 31 -7.419 -7.721 -7.774 1.00 0.00 N ATOM 488 CA VAL A 31 -6.257 -7.300 -8.489 1.00 0.00 C ATOM 489 C VAL A 31 -5.088 -8.191 -8.069 1.00 0.00 C ATOM 490 O VAL A 31 -4.924 -8.478 -6.877 1.00 0.00 O ATOM 491 CB VAL A 31 -5.920 -5.804 -8.168 1.00 0.00 C ATOM 492 CG1 VAL A 31 -4.760 -5.308 -9.004 1.00 0.00 C ATOM 493 CG2 VAL A 31 -7.135 -4.898 -8.359 1.00 0.00 C ATOM 0 H VAL A 31 -7.316 -7.694 -6.760 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.438 -7.384 -9.560 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.630 -5.763 -7.118 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.552 -4.267 -8.757 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.877 -5.913 -8.797 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.014 -5.386 -10.061 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.861 -3.869 -8.127 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.475 -4.959 -9.393 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.937 -5.219 -7.694 1.00 0.00 H new ATOM 503 N PRO A 32 -4.311 -8.716 -9.031 1.00 0.00 N ATOM 504 CA PRO A 32 -3.124 -9.497 -8.726 1.00 0.00 C ATOM 505 C PRO A 32 -2.068 -8.624 -8.047 1.00 0.00 C ATOM 506 O PRO A 32 -2.032 -7.393 -8.258 1.00 0.00 O ATOM 507 CB PRO A 32 -2.643 -9.989 -10.091 1.00 0.00 C ATOM 508 CG PRO A 32 -3.245 -9.054 -11.069 1.00 0.00 C ATOM 509 CD PRO A 32 -4.545 -8.611 -10.476 1.00 0.00 C ATOM 0 HA PRO A 32 -3.321 -10.319 -8.038 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.555 -9.979 -10.153 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.963 -11.014 -10.276 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -2.589 -8.202 -11.249 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.402 -9.544 -12.030 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.794 -7.591 -10.770 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.371 -9.246 -10.797 1.00 0.00 H new ATOM 517 N PHE A 33 -1.219 -9.269 -7.270 1.00 0.00 N ATOM 518 CA PHE A 33 -0.216 -8.623 -6.427 1.00 0.00 C ATOM 519 C PHE A 33 0.561 -7.515 -7.153 1.00 0.00 C ATOM 520 O PHE A 33 0.482 -6.357 -6.775 1.00 0.00 O ATOM 521 CB PHE A 33 0.744 -9.679 -5.856 1.00 0.00 C ATOM 522 CG PHE A 33 1.702 -9.156 -4.828 1.00 0.00 C ATOM 523 CD1 PHE A 33 1.350 -9.142 -3.488 1.00 0.00 C ATOM 524 CD2 PHE A 33 2.948 -8.683 -5.194 1.00 0.00 C ATOM 525 CE1 PHE A 33 2.223 -8.662 -2.538 1.00 0.00 C ATOM 526 CE2 PHE A 33 3.822 -8.203 -4.250 1.00 0.00 C ATOM 527 CZ PHE A 33 3.460 -8.192 -2.918 1.00 0.00 C ATOM 0 H PHE A 33 -1.203 -10.287 -7.202 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.749 -8.133 -5.612 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.157 -10.483 -5.412 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.314 -10.116 -6.676 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.381 -9.511 -3.186 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.238 -8.691 -6.234 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.938 -8.654 -1.496 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.792 -7.834 -4.549 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.147 -7.815 -2.174 1.00 0.00 H new ATOM 537 N GLN A 34 1.251 -7.854 -8.218 1.00 0.00 N ATOM 538 CA GLN A 34 2.092 -6.868 -8.902 1.00 0.00 C ATOM 539 C GLN A 34 1.329 -5.720 -9.534 1.00 0.00 C ATOM 540 O GLN A 34 1.845 -4.602 -9.598 1.00 0.00 O ATOM 541 CB GLN A 34 3.082 -7.499 -9.880 1.00 0.00 C ATOM 542 CG GLN A 34 4.401 -7.930 -9.239 1.00 0.00 C ATOM 543 CD GLN A 34 5.366 -6.759 -8.926 1.00 0.00 C ATOM 544 OE1 GLN A 34 4.857 -5.555 -8.735 1.00 0.00 O flip ATOM 545 NE2 GLN A 34 6.586 -6.937 -8.916 1.00 0.00 N flip ATOM 0 H GLN A 34 1.255 -8.786 -8.633 1.00 0.00 H new ATOM 0 HA GLN A 34 2.677 -6.420 -8.098 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.615 -8.368 -10.344 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.293 -6.786 -10.677 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.185 -8.465 -8.314 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.903 -8.632 -9.904 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.966 -7.872 -9.065 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.215 -6.150 -8.759 1.00 0.00 H new ATOM 554 N GLU A 35 0.102 -5.962 -9.923 1.00 0.00 N ATOM 555 CA GLU A 35 -0.687 -4.942 -10.565 1.00 0.00 C ATOM 556 C GLU A 35 -1.198 -3.948 -9.558 1.00 0.00 C ATOM 557 O GLU A 35 -1.274 -2.753 -9.845 1.00 0.00 O ATOM 558 CB GLU A 35 -1.831 -5.548 -11.356 1.00 0.00 C ATOM 559 CG GLU A 35 -1.365 -6.383 -12.529 1.00 0.00 C ATOM 560 CD GLU A 35 -0.545 -5.580 -13.496 1.00 0.00 C ATOM 561 OE1 GLU A 35 -1.134 -4.863 -14.342 1.00 0.00 O ATOM 562 OE2 GLU A 35 0.701 -5.650 -13.446 1.00 0.00 O ATOM 0 H GLU A 35 -0.372 -6.858 -9.806 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.042 -4.414 -11.267 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.435 -6.168 -10.693 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.476 -4.749 -11.720 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.776 -7.224 -12.164 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.230 -6.799 -13.045 1.00 0.00 H new ATOM 569 N LEU A 36 -1.499 -4.426 -8.359 1.00 0.00 N ATOM 570 CA LEU A 36 -2.000 -3.547 -7.329 1.00 0.00 C ATOM 571 C LEU A 36 -0.881 -2.596 -6.894 1.00 0.00 C ATOM 572 O LEU A 36 -1.119 -1.423 -6.647 1.00 0.00 O ATOM 573 CB LEU A 36 -2.637 -4.351 -6.146 1.00 0.00 C ATOM 574 CG LEU A 36 -1.705 -5.034 -5.132 1.00 0.00 C ATOM 575 CD1 LEU A 36 -1.322 -4.073 -4.023 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.332 -6.288 -4.557 1.00 0.00 C ATOM 0 H LEU A 36 -1.405 -5.404 -8.084 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.814 -2.939 -7.725 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.284 -3.670 -5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.278 -5.120 -6.576 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.800 -5.329 -5.664 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.662 -4.577 -3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.807 -3.212 -4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.221 -3.739 -3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.645 -6.744 -3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.262 -6.030 -4.051 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.540 -6.993 -5.362 1.00 0.00 H new ATOM 588 N LEU A 37 0.362 -3.106 -6.862 1.00 0.00 N ATOM 589 CA LEU A 37 1.520 -2.265 -6.558 1.00 0.00 C ATOM 590 C LEU A 37 1.698 -1.191 -7.615 1.00 0.00 C ATOM 591 O LEU A 37 2.053 -0.063 -7.298 1.00 0.00 O ATOM 592 CB LEU A 37 2.829 -3.065 -6.384 1.00 0.00 C ATOM 593 CG LEU A 37 3.096 -3.732 -5.018 1.00 0.00 C ATOM 594 CD1 LEU A 37 3.085 -2.716 -3.884 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.139 -4.857 -4.729 1.00 0.00 C ATOM 0 H LEU A 37 0.584 -4.085 -7.041 1.00 0.00 H new ATOM 0 HA LEU A 37 1.309 -1.797 -5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.847 -3.845 -7.145 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.661 -2.393 -6.596 1.00 0.00 H new ATOM 0 HG LEU A 37 4.095 -4.163 -5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.277 -3.224 -2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.859 -1.968 -4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.111 -2.227 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.371 -5.291 -3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.119 -4.474 -4.721 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.233 -5.622 -5.500 1.00 0.00 H new ATOM 607 N ASN A 38 1.417 -1.537 -8.864 1.00 0.00 N ATOM 608 CA ASN A 38 1.491 -0.567 -9.962 1.00 0.00 C ATOM 609 C ASN A 38 0.500 0.557 -9.770 1.00 0.00 C ATOM 610 O ASN A 38 0.833 1.735 -9.988 1.00 0.00 O ATOM 611 CB ASN A 38 1.307 -1.224 -11.338 1.00 0.00 C ATOM 612 CG ASN A 38 2.548 -1.956 -11.790 1.00 0.00 C ATOM 613 OD1 ASN A 38 3.655 -1.564 -11.458 1.00 0.00 O ATOM 614 ND2 ASN A 38 2.389 -2.987 -12.558 1.00 0.00 N ATOM 0 H ASN A 38 1.136 -2.476 -9.147 1.00 0.00 H new ATOM 0 HA ASN A 38 2.497 -0.147 -9.937 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.470 -1.921 -11.297 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.050 -0.460 -12.072 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.203 -3.496 -12.903 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.450 -3.290 -12.818 1.00 0.00 H new ATOM 621 N GLU A 39 -0.698 0.213 -9.328 1.00 0.00 N ATOM 622 CA GLU A 39 -1.722 1.211 -9.069 1.00 0.00 C ATOM 623 C GLU A 39 -1.407 2.022 -7.820 1.00 0.00 C ATOM 624 O GLU A 39 -1.700 3.219 -7.761 1.00 0.00 O ATOM 625 CB GLU A 39 -3.102 0.601 -8.982 1.00 0.00 C ATOM 626 CG GLU A 39 -3.541 -0.079 -10.254 1.00 0.00 C ATOM 627 CD GLU A 39 -4.996 -0.419 -10.233 1.00 0.00 C ATOM 628 OE1 GLU A 39 -5.832 0.477 -10.490 1.00 0.00 O ATOM 629 OE2 GLU A 39 -5.349 -1.568 -9.970 1.00 0.00 O ATOM 0 H GLU A 39 -0.985 -0.748 -9.141 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.720 1.890 -9.922 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.120 -0.123 -8.168 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.820 1.381 -8.730 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.333 0.572 -11.103 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.958 -0.989 -10.399 1.00 0.00 H new ATOM 636 N ILE A 40 -0.813 1.381 -6.822 1.00 0.00 N ATOM 637 CA ILE A 40 -0.370 2.098 -5.641 1.00 0.00 C ATOM 638 C ILE A 40 0.686 3.119 -6.047 1.00 0.00 C ATOM 639 O ILE A 40 0.597 4.266 -5.680 1.00 0.00 O ATOM 640 CB ILE A 40 0.182 1.158 -4.517 1.00 0.00 C ATOM 641 CG1 ILE A 40 -0.940 0.257 -3.977 1.00 0.00 C ATOM 642 CG2 ILE A 40 0.812 1.972 -3.375 1.00 0.00 C ATOM 643 CD1 ILE A 40 -0.504 -0.704 -2.889 1.00 0.00 C ATOM 0 H ILE A 40 -0.630 0.378 -6.809 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.240 2.597 -5.215 1.00 0.00 H new ATOM 0 HB ILE A 40 0.959 0.530 -4.952 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.740 0.887 -3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.359 -0.316 -4.804 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.187 1.294 -2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.636 2.569 -3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.060 2.631 -2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.358 -1.300 -2.567 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.273 -1.363 -3.276 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.114 -0.141 -2.041 1.00 0.00 H new ATOM 655 N ALA A 41 1.627 2.692 -6.878 1.00 0.00 N ATOM 656 CA ALA A 41 2.705 3.551 -7.363 1.00 0.00 C ATOM 657 C ALA A 41 2.191 4.723 -8.187 1.00 0.00 C ATOM 658 O ALA A 41 2.852 5.732 -8.292 1.00 0.00 O ATOM 659 CB ALA A 41 3.739 2.763 -8.147 1.00 0.00 C ATOM 0 H ALA A 41 1.667 1.738 -7.237 1.00 0.00 H new ATOM 0 HA ALA A 41 3.187 3.963 -6.476 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.525 3.436 -8.491 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.173 1.995 -7.507 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.262 2.292 -9.007 1.00 0.00 H new ATOM 665 N SER A 42 1.082 4.560 -8.861 1.00 0.00 N ATOM 666 CA SER A 42 0.518 5.672 -9.567 1.00 0.00 C ATOM 667 C SER A 42 -0.152 6.702 -8.628 1.00 0.00 C ATOM 668 O SER A 42 0.039 7.910 -8.785 1.00 0.00 O ATOM 669 CB SER A 42 -0.351 5.235 -10.750 1.00 0.00 C ATOM 670 OG SER A 42 -1.225 4.176 -10.390 1.00 0.00 O ATOM 0 H SER A 42 0.563 3.685 -8.934 1.00 0.00 H new ATOM 0 HA SER A 42 1.350 6.214 -10.016 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.934 6.084 -11.108 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.288 4.917 -11.574 1.00 0.00 H new ATOM 0 HG SER A 42 -1.300 4.131 -9.414 1.00 0.00 H new ATOM 676 N LEU A 43 -0.925 6.216 -7.656 1.00 0.00 N ATOM 677 CA LEU A 43 -1.593 7.091 -6.677 1.00 0.00 C ATOM 678 C LEU A 43 -0.564 7.727 -5.732 1.00 0.00 C ATOM 679 O LEU A 43 -0.633 8.915 -5.401 1.00 0.00 O ATOM 680 CB LEU A 43 -2.640 6.304 -5.877 1.00 0.00 C ATOM 681 CG LEU A 43 -3.775 5.664 -6.690 1.00 0.00 C ATOM 682 CD1 LEU A 43 -4.698 4.871 -5.783 1.00 0.00 C ATOM 683 CD2 LEU A 43 -4.562 6.723 -7.457 1.00 0.00 C ATOM 0 H LEU A 43 -1.107 5.222 -7.521 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.101 7.888 -7.220 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.128 5.516 -5.325 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.082 6.974 -5.140 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.329 4.982 -7.414 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.496 4.425 -6.376 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.131 4.083 -5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.130 5.535 -5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.360 6.244 -8.024 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.994 7.435 -6.754 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.895 7.248 -8.141 1.00 0.00 H new ATOM 695 N LEU A 44 0.373 6.928 -5.324 1.00 0.00 N ATOM 696 CA LEU A 44 1.471 7.326 -4.485 1.00 0.00 C ATOM 697 C LEU A 44 2.579 7.856 -5.377 1.00 0.00 C ATOM 698 O LEU A 44 3.197 7.104 -6.080 1.00 0.00 O ATOM 699 CB LEU A 44 1.948 6.088 -3.692 1.00 0.00 C ATOM 700 CG LEU A 44 3.269 6.169 -2.941 1.00 0.00 C ATOM 701 CD1 LEU A 44 3.229 7.186 -1.834 1.00 0.00 C ATOM 702 CD2 LEU A 44 3.650 4.796 -2.410 1.00 0.00 C ATOM 0 H LEU A 44 0.398 5.940 -5.574 1.00 0.00 H new ATOM 0 HA LEU A 44 1.177 8.105 -3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.171 5.838 -2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.015 5.253 -4.390 1.00 0.00 H new ATOM 0 HG LEU A 44 4.033 6.501 -3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.193 7.209 -1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.015 8.170 -2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.450 6.917 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.597 4.863 -1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.874 4.440 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.753 4.100 -3.242 1.00 0.00 H new ATOM 714 N GLY A 45 2.773 9.156 -5.372 1.00 0.00 N ATOM 715 CA GLY A 45 3.802 9.789 -6.217 1.00 0.00 C ATOM 716 C GLY A 45 5.225 9.413 -5.817 1.00 0.00 C ATOM 717 O GLY A 45 5.893 10.149 -5.098 1.00 0.00 O ATOM 0 H GLY A 45 2.240 9.809 -4.798 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.636 9.503 -7.256 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.691 10.872 -6.163 1.00 0.00 H new ATOM 721 N VAL A 46 5.673 8.264 -6.268 1.00 0.00 N ATOM 722 CA VAL A 46 6.986 7.734 -5.938 1.00 0.00 C ATOM 723 C VAL A 46 7.576 7.007 -7.114 1.00 0.00 C ATOM 724 O VAL A 46 7.029 7.032 -8.219 1.00 0.00 O ATOM 725 CB VAL A 46 6.897 6.696 -4.786 1.00 0.00 C ATOM 726 CG1 VAL A 46 6.516 7.342 -3.478 1.00 0.00 C ATOM 727 CG2 VAL A 46 5.922 5.561 -5.155 1.00 0.00 C ATOM 0 H VAL A 46 5.131 7.658 -6.884 1.00 0.00 H new ATOM 0 HA VAL A 46 7.601 8.586 -5.648 1.00 0.00 H new ATOM 0 HB VAL A 46 7.889 6.265 -4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.465 6.582 -2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.264 8.088 -3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.544 7.824 -3.580 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.873 4.843 -4.336 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.930 5.977 -5.333 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.273 5.059 -6.057 1.00 0.00 H new ATOM 737 N LYS A 47 8.698 6.376 -6.867 1.00 0.00 N ATOM 738 CA LYS A 47 9.286 5.450 -7.792 1.00 0.00 C ATOM 739 C LYS A 47 8.823 4.082 -7.378 1.00 0.00 C ATOM 740 O LYS A 47 8.684 3.820 -6.174 1.00 0.00 O ATOM 741 CB LYS A 47 10.803 5.452 -7.667 1.00 0.00 C ATOM 742 CG LYS A 47 11.486 6.741 -8.020 1.00 0.00 C ATOM 743 CD LYS A 47 12.990 6.639 -7.778 1.00 0.00 C ATOM 744 CE LYS A 47 13.344 6.606 -6.284 1.00 0.00 C ATOM 745 NZ LYS A 47 12.797 7.771 -5.536 1.00 0.00 N ATOM 0 H LYS A 47 9.232 6.496 -6.006 1.00 0.00 H new ATOM 0 HA LYS A 47 9.003 5.718 -8.810 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.064 5.193 -6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.202 4.664 -8.306 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.297 6.984 -9.066 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.071 7.553 -7.424 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.372 5.738 -8.259 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.489 7.487 -8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.960 5.685 -5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.428 6.585 -6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.289 7.860 -4.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.939 8.638 -6.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.780 7.630 -5.369 1.00 0.00 H new ATOM 759 N LYS A 48 8.605 3.202 -8.312 1.00 0.00 N ATOM 760 CA LYS A 48 8.265 1.849 -7.949 1.00 0.00 C ATOM 761 C LYS A 48 9.446 1.157 -7.249 1.00 0.00 C ATOM 762 O LYS A 48 9.268 0.245 -6.516 1.00 0.00 O ATOM 763 CB LYS A 48 7.655 1.023 -9.101 1.00 0.00 C ATOM 764 CG LYS A 48 7.332 -0.412 -8.687 1.00 0.00 C ATOM 765 CD LYS A 48 6.240 -1.059 -9.539 1.00 0.00 C ATOM 766 CE LYS A 48 6.661 -1.310 -10.974 1.00 0.00 C ATOM 767 NZ LYS A 48 7.720 -2.333 -11.075 1.00 0.00 N ATOM 0 H LYS A 48 8.654 3.387 -9.314 1.00 0.00 H new ATOM 0 HA LYS A 48 7.453 1.911 -7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.745 1.510 -9.450 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.350 1.008 -9.940 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.238 -1.014 -8.753 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.020 -0.419 -7.643 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.948 -2.005 -9.084 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.359 -0.418 -9.534 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.795 -1.628 -11.554 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.015 -0.378 -11.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.880 -2.569 -12.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.600 -1.964 -10.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.427 -3.188 -10.560 1.00 0.00 H new ATOM 781 N GLU A 49 10.633 1.633 -7.515 1.00 0.00 N ATOM 782 CA GLU A 49 11.883 1.151 -6.897 1.00 0.00 C ATOM 783 C GLU A 49 11.825 1.243 -5.349 1.00 0.00 C ATOM 784 O GLU A 49 12.035 0.242 -4.630 1.00 0.00 O ATOM 785 CB GLU A 49 13.057 1.998 -7.412 1.00 0.00 C ATOM 786 CG GLU A 49 13.412 1.831 -8.898 1.00 0.00 C ATOM 787 CD GLU A 49 12.244 1.934 -9.833 1.00 0.00 C ATOM 788 OE1 GLU A 49 11.588 2.999 -9.870 1.00 0.00 O ATOM 789 OE2 GLU A 49 11.902 0.933 -10.472 1.00 0.00 O ATOM 0 H GLU A 49 10.783 2.388 -8.184 1.00 0.00 H new ATOM 0 HA GLU A 49 12.018 0.104 -7.169 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.828 3.048 -7.230 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.940 1.757 -6.819 1.00 0.00 H new ATOM 0 HG2 GLU A 49 14.147 2.589 -9.170 1.00 0.00 H new ATOM 0 HG3 GLU A 49 13.888 0.861 -9.038 1.00 0.00 H new ATOM 796 N GLU A 50 11.494 2.435 -4.841 1.00 0.00 N ATOM 797 CA GLU A 50 11.408 2.665 -3.397 1.00 0.00 C ATOM 798 C GLU A 50 10.203 1.912 -2.851 1.00 0.00 C ATOM 799 O GLU A 50 10.208 1.374 -1.722 1.00 0.00 O ATOM 800 CB GLU A 50 11.327 4.177 -3.093 1.00 0.00 C ATOM 801 CG GLU A 50 10.089 4.872 -3.633 1.00 0.00 C ATOM 802 CD GLU A 50 10.147 6.368 -3.518 1.00 0.00 C ATOM 803 OE1 GLU A 50 9.938 6.915 -2.407 1.00 0.00 O ATOM 804 OE2 GLU A 50 10.389 7.031 -4.559 1.00 0.00 O ATOM 0 H GLU A 50 11.281 3.255 -5.409 1.00 0.00 H new ATOM 0 HA GLU A 50 12.306 2.291 -2.905 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.363 4.318 -2.013 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.209 4.664 -3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.957 4.600 -4.680 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.213 4.507 -3.096 1.00 0.00 H new ATOM 811 N LEU A 51 9.192 1.814 -3.692 1.00 0.00 N ATOM 812 CA LEU A 51 8.017 1.074 -3.373 1.00 0.00 C ATOM 813 C LEU A 51 8.334 -0.407 -3.448 1.00 0.00 C ATOM 814 O LEU A 51 7.634 -1.177 -2.914 1.00 0.00 O ATOM 815 CB LEU A 51 6.877 1.412 -4.341 1.00 0.00 C ATOM 816 CG LEU A 51 5.542 0.691 -4.097 1.00 0.00 C ATOM 817 CD1 LEU A 51 4.901 1.130 -2.789 1.00 0.00 C ATOM 818 CD2 LEU A 51 4.601 0.894 -5.260 1.00 0.00 C ATOM 0 H LEU A 51 9.176 2.251 -4.614 1.00 0.00 H new ATOM 0 HA LEU A 51 7.694 1.338 -2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.699 2.486 -4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.209 1.184 -5.354 1.00 0.00 H new ATOM 0 HG LEU A 51 5.752 -0.375 -4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.959 0.600 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.572 0.902 -1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.712 2.203 -2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.663 0.374 -5.064 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.406 1.959 -5.389 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.054 0.496 -6.168 1.00 0.00 H new ATOM 830 N GLY A 52 9.432 -0.749 -4.115 1.00 0.00 N ATOM 831 CA GLY A 52 9.881 -2.115 -4.296 1.00 0.00 C ATOM 832 C GLY A 52 10.371 -2.672 -3.020 1.00 0.00 C ATOM 833 O GLY A 52 10.010 -3.791 -2.639 1.00 0.00 O ATOM 0 H GLY A 52 10.046 -0.063 -4.554 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.062 -2.726 -4.675 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.675 -2.147 -5.042 1.00 0.00 H new ATOM 837 N ASP A 53 11.177 -1.887 -2.325 1.00 0.00 N ATOM 838 CA ASP A 53 11.584 -2.261 -0.967 1.00 0.00 C ATOM 839 C ASP A 53 10.355 -2.386 -0.116 1.00 0.00 C ATOM 840 O ASP A 53 10.187 -3.343 0.638 1.00 0.00 O ATOM 841 CB ASP A 53 12.551 -1.250 -0.342 1.00 0.00 C ATOM 842 CG ASP A 53 13.954 -1.380 -0.860 1.00 0.00 C ATOM 843 OD1 ASP A 53 14.259 -0.856 -1.945 1.00 0.00 O ATOM 844 OD2 ASP A 53 14.793 -2.024 -0.187 1.00 0.00 O ATOM 0 H ASP A 53 11.559 -1.004 -2.663 1.00 0.00 H new ATOM 0 HA ASP A 53 12.116 -3.211 -1.023 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.189 -0.241 -0.539 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.556 -1.382 0.740 1.00 0.00 H new ATOM 849 N ARG A 54 9.444 -1.464 -0.325 1.00 0.00 N ATOM 850 CA ARG A 54 8.201 -1.465 0.392 1.00 0.00 C ATOM 851 C ARG A 54 7.282 -2.643 -0.066 1.00 0.00 C ATOM 852 O ARG A 54 6.317 -2.939 0.583 1.00 0.00 O ATOM 853 CB ARG A 54 7.503 -0.109 0.282 1.00 0.00 C ATOM 854 CG ARG A 54 6.516 0.146 1.404 1.00 0.00 C ATOM 855 CD ARG A 54 5.914 1.538 1.339 1.00 0.00 C ATOM 856 NE ARG A 54 5.206 1.872 2.585 1.00 0.00 N ATOM 857 CZ ARG A 54 4.214 2.760 2.730 1.00 0.00 C ATOM 858 NH1 ARG A 54 3.720 3.403 1.676 1.00 0.00 N ATOM 859 NH2 ARG A 54 3.734 3.010 3.936 1.00 0.00 N ATOM 0 H ARG A 54 9.547 -0.700 -0.993 1.00 0.00 H new ATOM 0 HA ARG A 54 8.419 -1.628 1.447 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.255 0.680 0.281 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.981 -0.053 -0.673 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.718 -0.595 1.358 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.018 0.014 2.363 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.702 2.269 1.158 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.223 1.599 0.498 1.00 0.00 H new ATOM 0 HE ARG A 54 5.501 1.376 3.426 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.097 3.222 0.746 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.964 4.077 1.798 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.119 2.528 4.748 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.979 3.685 4.054 1.00 0.00 H new ATOM 873 N ILE A 55 7.592 -3.273 -1.215 1.00 0.00 N ATOM 874 CA ILE A 55 6.866 -4.452 -1.719 1.00 0.00 C ATOM 875 C ILE A 55 7.255 -5.640 -0.883 1.00 0.00 C ATOM 876 O ILE A 55 6.432 -6.496 -0.576 1.00 0.00 O ATOM 877 CB ILE A 55 7.156 -4.759 -3.240 1.00 0.00 C ATOM 878 CG1 ILE A 55 6.603 -3.650 -4.135 1.00 0.00 C ATOM 879 CG2 ILE A 55 6.591 -6.117 -3.662 1.00 0.00 C ATOM 880 CD1 ILE A 55 6.815 -3.867 -5.623 1.00 0.00 C ATOM 0 H ILE A 55 8.357 -2.976 -1.822 1.00 0.00 H new ATOM 0 HA ILE A 55 5.799 -4.242 -1.644 1.00 0.00 H new ATOM 0 HB ILE A 55 8.239 -4.797 -3.361 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.534 -3.549 -3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.068 -2.706 -3.850 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.811 -6.291 -4.715 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.047 -6.904 -3.061 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.512 -6.125 -3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.390 -3.030 -6.177 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.883 -3.936 -5.832 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.325 -4.791 -5.929 1.00 0.00 H new ATOM 892 N ALA A 56 8.511 -5.676 -0.496 1.00 0.00 N ATOM 893 CA ALA A 56 8.985 -6.696 0.415 1.00 0.00 C ATOM 894 C ALA A 56 8.242 -6.527 1.749 1.00 0.00 C ATOM 895 O ALA A 56 7.721 -7.502 2.334 1.00 0.00 O ATOM 896 CB ALA A 56 10.493 -6.584 0.591 1.00 0.00 C ATOM 0 H ALA A 56 9.223 -5.011 -0.798 1.00 0.00 H new ATOM 0 HA ALA A 56 8.784 -7.691 0.018 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.837 -7.357 1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.983 -6.713 -0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.740 -5.602 0.995 1.00 0.00 H new ATOM 902 N GLN A 57 8.121 -5.267 2.175 1.00 0.00 N ATOM 903 CA GLN A 57 7.367 -4.920 3.370 1.00 0.00 C ATOM 904 C GLN A 57 5.913 -5.298 3.186 1.00 0.00 C ATOM 905 O GLN A 57 5.271 -5.767 4.109 1.00 0.00 O ATOM 906 CB GLN A 57 7.465 -3.417 3.674 1.00 0.00 C ATOM 907 CG GLN A 57 6.748 -2.978 4.954 1.00 0.00 C ATOM 908 CD GLN A 57 7.287 -3.663 6.193 1.00 0.00 C ATOM 909 OE1 GLN A 57 8.203 -3.181 6.825 1.00 0.00 O ATOM 910 NE2 GLN A 57 6.719 -4.782 6.548 1.00 0.00 N ATOM 0 H GLN A 57 8.542 -4.468 1.701 1.00 0.00 H new ATOM 0 HA GLN A 57 7.793 -5.471 4.208 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.517 -3.143 3.750 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.051 -2.862 2.832 1.00 0.00 H new ATOM 0 HG2 GLN A 57 6.847 -1.899 5.069 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.683 -3.192 4.860 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.950 -5.162 5.995 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.043 -5.278 7.378 1.00 0.00 H new ATOM 919 N PHE A 58 5.425 -5.108 1.984 1.00 0.00 N ATOM 920 CA PHE A 58 4.059 -5.378 1.637 1.00 0.00 C ATOM 921 C PHE A 58 3.786 -6.861 1.685 1.00 0.00 C ATOM 922 O PHE A 58 2.728 -7.260 2.085 1.00 0.00 O ATOM 923 CB PHE A 58 3.717 -4.781 0.269 1.00 0.00 C ATOM 924 CG PHE A 58 2.262 -4.814 -0.064 1.00 0.00 C ATOM 925 CD1 PHE A 58 1.351 -4.079 0.680 1.00 0.00 C ATOM 926 CD2 PHE A 58 1.803 -5.576 -1.105 1.00 0.00 C ATOM 927 CE1 PHE A 58 0.014 -4.110 0.379 1.00 0.00 C ATOM 928 CE2 PHE A 58 0.468 -5.611 -1.412 1.00 0.00 C ATOM 929 CZ PHE A 58 -0.430 -4.878 -0.669 1.00 0.00 C ATOM 0 H PHE A 58 5.982 -4.754 1.206 1.00 0.00 H new ATOM 0 HA PHE A 58 3.411 -4.899 2.371 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.062 -3.748 0.239 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.267 -5.323 -0.500 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.699 -3.476 1.505 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.501 -6.156 -1.691 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.687 -3.533 0.964 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.120 -6.214 -2.238 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.482 -4.907 -0.910 1.00 0.00 H new ATOM 939 N TYR A 59 4.756 -7.677 1.295 1.00 0.00 N ATOM 940 CA TYR A 59 4.626 -9.115 1.447 1.00 0.00 C ATOM 941 C TYR A 59 4.385 -9.471 2.891 1.00 0.00 C ATOM 942 O TYR A 59 3.526 -10.277 3.190 1.00 0.00 O ATOM 943 CB TYR A 59 5.837 -9.888 0.910 1.00 0.00 C ATOM 944 CG TYR A 59 5.699 -10.328 -0.526 1.00 0.00 C ATOM 945 CD1 TYR A 59 4.774 -11.309 -0.864 1.00 0.00 C ATOM 946 CD2 TYR A 59 6.494 -9.801 -1.534 1.00 0.00 C ATOM 947 CE1 TYR A 59 4.637 -11.749 -2.159 1.00 0.00 C ATOM 948 CE2 TYR A 59 6.362 -10.239 -2.842 1.00 0.00 C ATOM 949 CZ TYR A 59 5.427 -11.217 -3.144 1.00 0.00 C ATOM 950 OH TYR A 59 5.283 -11.659 -4.439 1.00 0.00 O ATOM 0 H TYR A 59 5.633 -7.369 0.875 1.00 0.00 H new ATOM 0 HA TYR A 59 3.767 -9.414 0.846 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.725 -9.262 1.003 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.000 -10.767 1.534 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.150 -11.735 -0.092 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.224 -9.041 -1.296 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.910 -12.511 -2.399 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.983 -9.821 -3.621 1.00 0.00 H new ATOM 0 HH TYR A 59 5.914 -11.184 -5.019 1.00 0.00 H new ATOM 960 N THR A 60 5.118 -8.843 3.776 1.00 0.00 N ATOM 961 CA THR A 60 4.947 -9.071 5.195 1.00 0.00 C ATOM 962 C THR A 60 3.584 -8.499 5.705 1.00 0.00 C ATOM 963 O THR A 60 2.774 -9.219 6.305 1.00 0.00 O ATOM 964 CB THR A 60 6.116 -8.414 5.954 1.00 0.00 C ATOM 965 OG1 THR A 60 7.352 -8.832 5.344 1.00 0.00 O ATOM 966 CG2 THR A 60 6.115 -8.823 7.421 1.00 0.00 C ATOM 0 H THR A 60 5.843 -8.166 3.540 1.00 0.00 H new ATOM 0 HA THR A 60 4.941 -10.146 5.378 1.00 0.00 H new ATOM 0 HB THR A 60 6.007 -7.331 5.902 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.106 -8.420 5.816 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.950 -8.345 7.933 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.179 -8.511 7.885 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.215 -9.906 7.497 1.00 0.00 H new ATOM 974 N ASP A 61 3.334 -7.239 5.388 1.00 0.00 N ATOM 975 CA ASP A 61 2.172 -6.472 5.883 1.00 0.00 C ATOM 976 C ASP A 61 0.853 -7.049 5.352 1.00 0.00 C ATOM 977 O ASP A 61 -0.120 -7.190 6.080 1.00 0.00 O ATOM 978 CB ASP A 61 2.340 -4.996 5.473 1.00 0.00 C ATOM 979 CG ASP A 61 1.407 -4.032 6.187 1.00 0.00 C ATOM 980 OD1 ASP A 61 1.556 -3.867 7.416 1.00 0.00 O ATOM 981 OD2 ASP A 61 0.568 -3.385 5.523 1.00 0.00 O ATOM 0 H ASP A 61 3.937 -6.698 4.768 1.00 0.00 H new ATOM 0 HA ASP A 61 2.131 -6.544 6.970 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.370 -4.694 5.665 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.177 -4.910 4.399 1.00 0.00 H new ATOM 986 N LEU A 62 0.853 -7.429 4.096 1.00 0.00 N ATOM 987 CA LEU A 62 -0.314 -8.009 3.455 1.00 0.00 C ATOM 988 C LEU A 62 -0.524 -9.449 3.916 1.00 0.00 C ATOM 989 O LEU A 62 -1.651 -9.916 3.995 1.00 0.00 O ATOM 990 CB LEU A 62 -0.177 -7.958 1.929 1.00 0.00 C ATOM 991 CG LEU A 62 -1.366 -8.459 1.114 1.00 0.00 C ATOM 992 CD1 LEU A 62 -2.587 -7.595 1.352 1.00 0.00 C ATOM 993 CD2 LEU A 62 -1.017 -8.491 -0.357 1.00 0.00 C ATOM 0 H LEU A 62 1.664 -7.346 3.483 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.184 -7.421 3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.022 -6.926 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.699 -8.543 1.647 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.601 -9.472 1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.421 -7.972 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.851 -7.622 2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.369 -6.568 1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.874 -8.850 -0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.755 -7.487 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.170 -9.159 -0.516 1.00 0.00 H new ATOM 1005 N ASN A 63 0.570 -10.151 4.203 1.00 0.00 N ATOM 1006 CA ASN A 63 0.492 -11.554 4.635 1.00 0.00 C ATOM 1007 C ASN A 63 -0.155 -11.669 6.006 1.00 0.00 C ATOM 1008 O ASN A 63 -0.951 -12.571 6.251 1.00 0.00 O ATOM 1009 CB ASN A 63 1.876 -12.196 4.653 1.00 0.00 C ATOM 1010 CG ASN A 63 1.848 -13.679 4.912 1.00 0.00 C ATOM 1011 OD1 ASN A 63 1.939 -14.129 6.053 1.00 0.00 O ATOM 1012 ND2 ASN A 63 1.729 -14.444 3.856 1.00 0.00 N ATOM 0 H ASN A 63 1.518 -9.779 4.146 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.129 -12.086 3.915 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.366 -12.012 3.697 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.482 -11.713 5.420 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.709 -15.458 3.961 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.657 -14.026 2.929 1.00 0.00 H new ATOM 1019 N ILE A 64 0.184 -10.744 6.900 1.00 0.00 N ATOM 1020 CA ILE A 64 -0.426 -10.712 8.232 1.00 0.00 C ATOM 1021 C ILE A 64 -1.809 -10.055 8.144 1.00 0.00 C ATOM 1022 O ILE A 64 -2.641 -10.166 9.058 1.00 0.00 O ATOM 1023 CB ILE A 64 0.478 -9.987 9.270 1.00 0.00 C ATOM 1024 CG1 ILE A 64 0.749 -8.528 8.854 1.00 0.00 C ATOM 1025 CG2 ILE A 64 1.789 -10.754 9.441 1.00 0.00 C ATOM 1026 CD1 ILE A 64 1.670 -7.765 9.789 1.00 0.00 C ATOM 0 H ILE A 64 0.872 -10.010 6.731 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.538 -11.738 8.584 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.046 -9.963 10.226 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.183 -8.524 7.854 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.202 -7.999 8.791 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.418 -10.242 10.169 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.577 -11.764 9.792 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.309 -10.804 8.484 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.804 -6.749 9.418 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.231 -7.733 10.786 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.637 -8.265 9.835 1.00 0.00 H new ATOM 1038 N ASP A 65 -1.993 -9.372 7.022 1.00 0.00 N ATOM 1039 CA ASP A 65 -3.215 -8.719 6.546 1.00 0.00 C ATOM 1040 C ASP A 65 -3.809 -7.681 7.478 1.00 0.00 C ATOM 1041 O ASP A 65 -3.475 -7.569 8.658 1.00 0.00 O ATOM 1042 CB ASP A 65 -4.322 -9.712 6.039 1.00 0.00 C ATOM 1043 CG ASP A 65 -5.206 -10.329 7.122 1.00 0.00 C ATOM 1044 OD1 ASP A 65 -6.193 -9.665 7.548 1.00 0.00 O ATOM 1045 OD2 ASP A 65 -4.969 -11.477 7.536 1.00 0.00 O ATOM 0 H ASP A 65 -1.226 -9.247 6.361 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.847 -8.168 5.681 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.961 -9.184 5.332 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.836 -10.518 5.489 1.00 0.00 H new ATOM 1050 N GLY A 66 -4.667 -6.905 6.904 1.00 0.00 N ATOM 1051 CA GLY A 66 -5.413 -5.926 7.602 1.00 0.00 C ATOM 1052 C GLY A 66 -6.819 -6.012 7.123 1.00 0.00 C ATOM 1053 O GLY A 66 -7.273 -5.146 6.396 1.00 0.00 O ATOM 0 H GLY A 66 -4.871 -6.940 5.905 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.363 -6.099 8.677 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.006 -4.931 7.420 1.00 0.00 H new ATOM 1057 N ARG A 67 -7.434 -7.173 7.420 1.00 0.00 N ATOM 1058 CA ARG A 67 -8.835 -7.548 7.091 1.00 0.00 C ATOM 1059 C ARG A 67 -8.914 -7.909 5.604 1.00 0.00 C ATOM 1060 O ARG A 67 -9.980 -7.899 4.972 1.00 0.00 O ATOM 1061 CB ARG A 67 -9.878 -6.449 7.528 1.00 0.00 C ATOM 1062 CG ARG A 67 -10.178 -5.338 6.518 1.00 0.00 C ATOM 1063 CD ARG A 67 -10.773 -4.119 7.186 1.00 0.00 C ATOM 1064 NE ARG A 67 -9.783 -3.450 8.029 1.00 0.00 N ATOM 1065 CZ ARG A 67 -9.160 -2.309 7.706 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -9.588 -1.575 6.686 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -8.154 -1.875 8.443 1.00 0.00 N ATOM 0 H ARG A 67 -6.948 -7.917 7.921 1.00 0.00 H new ATOM 0 HA ARG A 67 -9.117 -8.426 7.672 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.816 -6.949 7.771 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.517 -5.985 8.446 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.260 -5.058 6.002 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.868 -5.711 5.761 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.139 -3.426 6.428 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.631 -4.413 7.790 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.551 -3.881 8.924 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.396 -1.879 6.143 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.109 -0.707 6.446 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.851 -2.409 9.258 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.679 -1.006 8.197 1.00 0.00 H new ATOM 1081 N PHE A 68 -7.774 -8.337 5.093 1.00 0.00 N ATOM 1082 CA PHE A 68 -7.607 -8.648 3.687 1.00 0.00 C ATOM 1083 C PHE A 68 -7.813 -10.141 3.460 1.00 0.00 C ATOM 1084 O PHE A 68 -7.960 -10.911 4.429 1.00 0.00 O ATOM 1085 CB PHE A 68 -6.204 -8.249 3.241 1.00 0.00 C ATOM 1086 CG PHE A 68 -6.168 -7.437 1.988 1.00 0.00 C ATOM 1087 CD1 PHE A 68 -6.181 -8.035 0.740 1.00 0.00 C ATOM 1088 CD2 PHE A 68 -6.108 -6.067 2.063 1.00 0.00 C ATOM 1089 CE1 PHE A 68 -6.134 -7.268 -0.406 1.00 0.00 C ATOM 1090 CE2 PHE A 68 -6.063 -5.305 0.932 1.00 0.00 C ATOM 1091 CZ PHE A 68 -6.074 -5.899 -0.305 1.00 0.00 C ATOM 0 H PHE A 68 -6.931 -8.480 5.649 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.344 -8.094 3.105 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.728 -7.683 4.041 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.611 -9.152 3.093 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.228 -9.111 0.662 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.096 -5.586 3.030 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.144 -7.741 -1.377 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.018 -4.229 1.011 1.00 0.00 H new ATOM 0 HZ PHE A 68 -6.036 -5.292 -1.197 1.00 0.00 H new ATOM 1101 N LEU A 69 -7.805 -10.549 2.204 1.00 0.00 N ATOM 1102 CA LEU A 69 -8.043 -11.920 1.836 1.00 0.00 C ATOM 1103 C LEU A 69 -7.369 -12.258 0.511 1.00 0.00 C ATOM 1104 O LEU A 69 -7.378 -11.453 -0.408 1.00 0.00 O ATOM 1105 CB LEU A 69 -9.553 -12.122 1.689 1.00 0.00 C ATOM 1106 CG LEU A 69 -10.033 -13.471 1.181 1.00 0.00 C ATOM 1107 CD1 LEU A 69 -9.619 -14.587 2.123 1.00 0.00 C ATOM 1108 CD2 LEU A 69 -11.532 -13.440 1.004 1.00 0.00 C ATOM 0 H LEU A 69 -7.632 -9.930 1.412 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.631 -12.571 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.012 -11.946 2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.931 -11.354 1.014 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.567 -13.671 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.975 -15.541 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.532 -14.611 2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.052 -14.411 3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.875 -14.408 0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.007 -13.223 1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.797 -12.666 0.284 1.00 0.00 H new ATOM 1120 N ALA A 70 -6.755 -13.425 0.442 1.00 0.00 N ATOM 1121 CA ALA A 70 -6.261 -13.947 -0.810 1.00 0.00 C ATOM 1122 C ALA A 70 -7.337 -14.852 -1.333 1.00 0.00 C ATOM 1123 O ALA A 70 -7.798 -15.731 -0.602 1.00 0.00 O ATOM 1124 CB ALA A 70 -4.954 -14.705 -0.644 1.00 0.00 C ATOM 0 H ALA A 70 -6.588 -14.030 1.246 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.041 -13.133 -1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.624 -15.078 -1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.196 -14.038 -0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.104 -15.544 0.035 1.00 0.00 H new ATOM 1130 N LEU A 71 -7.758 -14.627 -2.544 1.00 0.00 N ATOM 1131 CA LEU A 71 -8.916 -15.308 -3.075 1.00 0.00 C ATOM 1132 C LEU A 71 -8.687 -16.765 -3.477 1.00 0.00 C ATOM 1133 O LEU A 71 -8.884 -17.682 -2.673 1.00 0.00 O ATOM 1134 CB LEU A 71 -9.525 -14.530 -4.233 1.00 0.00 C ATOM 1135 CG LEU A 71 -9.903 -13.090 -3.956 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -10.472 -12.483 -5.198 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -10.887 -12.980 -2.811 1.00 0.00 C ATOM 0 H LEU A 71 -7.317 -13.973 -3.191 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.617 -15.345 -2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.818 -14.543 -5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.418 -15.059 -4.567 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.005 -12.547 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.746 -11.446 -5.004 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.728 -12.519 -5.994 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.357 -13.041 -5.503 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.134 -11.932 -2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.794 -13.531 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.442 -13.398 -1.908 1.00 0.00 H new ATOM 1149 N SER A 72 -8.305 -16.997 -4.721 1.00 0.00 N ATOM 1150 CA SER A 72 -8.261 -18.343 -5.171 1.00 0.00 C ATOM 1151 C SER A 72 -6.864 -18.934 -5.224 1.00 0.00 C ATOM 1152 O SER A 72 -6.564 -19.908 -4.515 1.00 0.00 O ATOM 1153 CB SER A 72 -8.966 -18.451 -6.528 1.00 0.00 C ATOM 1154 OG SER A 72 -9.111 -19.794 -6.930 1.00 0.00 O ATOM 0 H SER A 72 -8.033 -16.288 -5.402 1.00 0.00 H new ATOM 0 HA SER A 72 -8.789 -18.943 -4.430 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.947 -17.980 -6.468 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.396 -17.905 -7.280 1.00 0.00 H new ATOM 0 HG SER A 72 -8.385 -20.032 -7.543 1.00 0.00 H new ATOM 1160 N ASP A 73 -6.000 -18.387 -6.049 1.00 0.00 N ATOM 1161 CA ASP A 73 -4.709 -19.016 -6.193 1.00 0.00 C ATOM 1162 C ASP A 73 -3.552 -18.082 -5.931 1.00 0.00 C ATOM 1163 O ASP A 73 -2.469 -18.532 -5.606 1.00 0.00 O ATOM 1164 CB ASP A 73 -4.591 -19.611 -7.605 1.00 0.00 C ATOM 1165 CG ASP A 73 -5.694 -20.591 -7.946 1.00 0.00 C ATOM 1166 OD1 ASP A 73 -6.802 -20.158 -8.364 1.00 0.00 O ATOM 1167 OD2 ASP A 73 -5.479 -21.804 -7.811 1.00 0.00 O ATOM 0 H ASP A 73 -6.156 -17.547 -6.607 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.649 -19.798 -5.436 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.599 -18.800 -8.333 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.628 -20.114 -7.699 1.00 0.00 H new ATOM 1172 N GLN A 74 -3.793 -16.775 -5.991 1.00 0.00 N ATOM 1173 CA GLN A 74 -2.726 -15.762 -5.791 1.00 0.00 C ATOM 1174 C GLN A 74 -3.361 -14.424 -5.535 1.00 0.00 C ATOM 1175 O GLN A 74 -3.024 -13.743 -4.586 1.00 0.00 O ATOM 1176 CB GLN A 74 -1.770 -15.554 -7.029 1.00 0.00 C ATOM 1177 CG GLN A 74 -0.996 -16.760 -7.566 1.00 0.00 C ATOM 1178 CD GLN A 74 -1.654 -17.419 -8.778 1.00 0.00 C ATOM 1179 OE1 GLN A 74 -2.946 -17.284 -8.907 1.00 0.00 O flip ATOM 1180 NE2 GLN A 74 -0.985 -18.005 -9.613 1.00 0.00 N flip ATOM 0 H GLN A 74 -4.714 -16.379 -6.176 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.131 -16.139 -4.959 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.369 -15.154 -7.847 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.044 -14.787 -6.761 1.00 0.00 H new ATOM 0 HG2 GLN A 74 0.011 -16.443 -7.837 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.895 -17.499 -6.771 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.023 -18.096 -9.487 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.434 -18.404 -10.437 1.00 0.00 H new ATOM 1189 N THR A 75 -4.292 -14.078 -6.419 1.00 0.00 N ATOM 1190 CA THR A 75 -4.959 -12.812 -6.446 1.00 0.00 C ATOM 1191 C THR A 75 -5.616 -12.520 -5.111 1.00 0.00 C ATOM 1192 O THR A 75 -6.290 -13.387 -4.530 1.00 0.00 O ATOM 1193 CB THR A 75 -6.033 -12.882 -7.533 1.00 0.00 C ATOM 1194 OG1 THR A 75 -5.485 -13.610 -8.655 1.00 0.00 O ATOM 1195 CG2 THR A 75 -6.441 -11.496 -7.995 1.00 0.00 C ATOM 0 H THR A 75 -4.604 -14.708 -7.159 1.00 0.00 H new ATOM 0 HA THR A 75 -4.239 -12.019 -6.649 1.00 0.00 H new ATOM 0 HB THR A 75 -6.916 -13.378 -7.130 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.157 -13.670 -9.366 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.205 -11.580 -8.767 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.839 -10.933 -7.150 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.572 -10.977 -8.400 1.00 0.00 H new ATOM 1203 N TRP A 76 -5.436 -11.328 -4.643 1.00 0.00 N ATOM 1204 CA TRP A 76 -5.995 -10.935 -3.403 1.00 0.00 C ATOM 1205 C TRP A 76 -7.311 -10.249 -3.667 1.00 0.00 C ATOM 1206 O TRP A 76 -7.660 -9.976 -4.831 1.00 0.00 O ATOM 1207 CB TRP A 76 -5.026 -10.026 -2.613 1.00 0.00 C ATOM 1208 CG TRP A 76 -3.747 -10.711 -2.179 1.00 0.00 C ATOM 1209 CD1 TRP A 76 -2.650 -10.979 -2.950 1.00 0.00 C ATOM 1210 CD2 TRP A 76 -3.428 -11.193 -0.857 1.00 0.00 C ATOM 1211 NE1 TRP A 76 -1.691 -11.616 -2.202 1.00 0.00 N ATOM 1212 CE2 TRP A 76 -2.140 -11.760 -0.915 1.00 0.00 C ATOM 1213 CE3 TRP A 76 -4.110 -11.207 0.363 1.00 0.00 C ATOM 1214 CZ2 TRP A 76 -1.520 -12.335 0.213 1.00 0.00 C ATOM 1215 CZ3 TRP A 76 -3.501 -11.770 1.468 1.00 0.00 C ATOM 1216 CH2 TRP A 76 -2.220 -12.326 1.386 1.00 0.00 C ATOM 0 H TRP A 76 -4.896 -10.603 -5.115 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.166 -11.815 -2.783 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.772 -9.163 -3.229 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -5.540 -9.647 -1.730 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -2.552 -10.726 -3.995 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -0.786 -11.933 -2.550 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.100 -10.783 0.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -0.531 -12.765 0.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -4.024 -11.781 2.413 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.774 -12.758 2.270 1.00 0.00 H new ATOM 1227 N GLY A 77 -8.052 -10.024 -2.643 1.00 0.00 N ATOM 1228 CA GLY A 77 -9.304 -9.392 -2.773 1.00 0.00 C ATOM 1229 C GLY A 77 -9.812 -8.968 -1.447 1.00 0.00 C ATOM 1230 O GLY A 77 -9.071 -8.976 -0.451 1.00 0.00 O ATOM 0 H GLY A 77 -7.801 -10.277 -1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.214 -8.526 -3.429 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.015 -10.073 -3.240 1.00 0.00 H new ATOM 1234 N LEU A 78 -11.054 -8.632 -1.395 1.00 0.00 N ATOM 1235 CA LEU A 78 -11.621 -8.168 -0.182 1.00 0.00 C ATOM 1236 C LEU A 78 -12.480 -9.205 0.455 1.00 0.00 C ATOM 1237 O LEU A 78 -13.369 -9.795 -0.167 1.00 0.00 O ATOM 1238 CB LEU A 78 -12.382 -6.856 -0.331 1.00 0.00 C ATOM 1239 CG LEU A 78 -11.573 -5.646 -0.797 1.00 0.00 C ATOM 1240 CD1 LEU A 78 -12.427 -4.398 -0.751 1.00 0.00 C ATOM 1241 CD2 LEU A 78 -10.311 -5.469 0.035 1.00 0.00 C ATOM 0 H LEU A 78 -11.698 -8.671 -2.185 1.00 0.00 H new ATOM 0 HA LEU A 78 -10.776 -7.965 0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.197 -7.013 -1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.835 -6.614 0.630 1.00 0.00 H new ATOM 0 HG LEU A 78 -11.264 -5.821 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.840 -3.543 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.290 -4.523 -1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.767 -4.228 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.759 -4.600 -0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.582 -5.322 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.687 -6.358 -0.056 1.00 0.00 H new ATOM 1253 N ARG A 79 -12.229 -9.356 1.708 1.00 0.00 N ATOM 1254 CA ARG A 79 -12.864 -10.293 2.618 1.00 0.00 C ATOM 1255 C ARG A 79 -14.274 -9.771 2.964 1.00 0.00 C ATOM 1256 O ARG A 79 -15.073 -10.419 3.649 1.00 0.00 O ATOM 1257 CB ARG A 79 -11.944 -10.288 3.830 1.00 0.00 C ATOM 1258 CG ARG A 79 -12.135 -11.296 4.932 1.00 0.00 C ATOM 1259 CD ARG A 79 -10.931 -11.136 5.847 1.00 0.00 C ATOM 1260 NE ARG A 79 -10.914 -11.971 7.036 1.00 0.00 N ATOM 1261 CZ ARG A 79 -9.873 -12.013 7.890 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -8.708 -11.422 7.557 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -9.974 -12.674 9.035 1.00 0.00 N ATOM 0 H ARG A 79 -11.521 -8.791 2.177 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.994 -11.298 2.217 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.924 -10.402 3.462 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -12.011 -9.299 4.282 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.064 -11.115 5.472 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.191 -12.308 4.532 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.031 -11.345 5.269 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -10.874 -10.093 6.160 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.728 -12.553 7.233 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.616 -10.945 6.660 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.918 -11.452 8.202 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.843 -13.153 9.272 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.183 -12.703 9.679 1.00 0.00 H new ATOM 1277 N SER A 80 -14.528 -8.571 2.499 1.00 0.00 N ATOM 1278 CA SER A 80 -15.762 -7.895 2.698 1.00 0.00 C ATOM 1279 C SER A 80 -16.767 -8.226 1.572 1.00 0.00 C ATOM 1280 O SER A 80 -17.977 -8.150 1.783 1.00 0.00 O ATOM 1281 CB SER A 80 -15.471 -6.405 2.731 1.00 0.00 C ATOM 1282 OG SER A 80 -14.371 -6.136 3.611 1.00 0.00 O ATOM 0 H SER A 80 -13.853 -8.032 1.957 1.00 0.00 H new ATOM 0 HA SER A 80 -16.215 -8.217 3.635 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.239 -6.050 1.727 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.355 -5.861 3.065 1.00 0.00 H new ATOM 0 HG SER A 80 -14.190 -5.173 3.624 1.00 0.00 H new ATOM 1288 N TRP A 81 -16.272 -8.607 0.383 1.00 0.00 N ATOM 1289 CA TRP A 81 -17.175 -8.927 -0.740 1.00 0.00 C ATOM 1290 C TRP A 81 -17.792 -10.282 -0.521 1.00 0.00 C ATOM 1291 O TRP A 81 -19.008 -10.464 -0.600 1.00 0.00 O ATOM 1292 CB TRP A 81 -16.446 -8.982 -2.085 1.00 0.00 C ATOM 1293 CG TRP A 81 -15.774 -7.736 -2.527 1.00 0.00 C ATOM 1294 CD1 TRP A 81 -16.236 -6.461 -2.425 1.00 0.00 C ATOM 1295 CD2 TRP A 81 -14.531 -7.663 -3.221 1.00 0.00 C ATOM 1296 NE1 TRP A 81 -15.334 -5.599 -2.983 1.00 0.00 N ATOM 1297 CE2 TRP A 81 -14.282 -6.311 -3.483 1.00 0.00 C ATOM 1298 CE3 TRP A 81 -13.598 -8.616 -3.634 1.00 0.00 C ATOM 1299 CZ2 TRP A 81 -13.139 -5.882 -4.143 1.00 0.00 C ATOM 1300 CZ3 TRP A 81 -12.466 -8.189 -4.292 1.00 0.00 C ATOM 1301 CH2 TRP A 81 -12.246 -6.834 -4.539 1.00 0.00 C ATOM 0 H TRP A 81 -15.278 -8.700 0.175 1.00 0.00 H new ATOM 0 HA TRP A 81 -17.922 -8.134 -0.771 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -15.698 -9.773 -2.035 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -17.165 -9.271 -2.851 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -17.173 -6.173 -1.972 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -15.431 -4.584 -3.020 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.761 -9.666 -3.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -12.963 -4.834 -4.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -11.737 -8.915 -4.622 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -11.347 -6.531 -5.056 1.00 0.00 H new ATOM 1312 N TYR A 82 -16.939 -11.219 -0.260 1.00 0.00 N ATOM 1313 CA TYR A 82 -17.311 -12.571 -0.044 1.00 0.00 C ATOM 1314 C TYR A 82 -16.588 -13.023 1.191 1.00 0.00 C ATOM 1315 O TYR A 82 -15.488 -12.532 1.451 1.00 0.00 O ATOM 1316 CB TYR A 82 -16.927 -13.482 -1.236 1.00 0.00 C ATOM 1317 CG TYR A 82 -16.192 -12.824 -2.392 1.00 0.00 C ATOM 1318 CD1 TYR A 82 -14.873 -12.432 -2.267 1.00 0.00 C ATOM 1319 CD2 TYR A 82 -16.812 -12.646 -3.619 1.00 0.00 C ATOM 1320 CE1 TYR A 82 -14.189 -11.885 -3.318 1.00 0.00 C ATOM 1321 CE2 TYR A 82 -16.140 -12.087 -4.687 1.00 0.00 C ATOM 1322 CZ TYR A 82 -14.828 -11.710 -4.536 1.00 0.00 C ATOM 1323 OH TYR A 82 -14.142 -11.166 -5.609 1.00 0.00 O ATOM 0 H TYR A 82 -15.935 -11.055 -0.190 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.393 -12.640 0.064 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -16.306 -14.294 -0.857 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -17.839 -13.933 -1.626 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.371 -12.560 -1.319 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -17.841 -12.951 -3.742 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -13.157 -11.591 -3.200 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -16.641 -11.947 -5.633 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.790 -10.286 -5.360 1.00 0.00 H new