USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 665 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 LYS NZ :NH3+ -138:sc= -0.0962 (180deg=-0.251) USER MOD Set 1.2: A 99 MET CE :methyl 160:sc= -0.0418 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.462 X(o=-0.46,f=-0.96) USER MOD Single : A 26 GLN : amide:sc= -1.04 K(o=-1,f=-6.8!) USER MOD Single : A 28 LYS NZ :NH3+ -165:sc=-0.00853 (180deg=-0.134) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.569 USER MOD Single : A 40 SER OG : rot 22:sc= 0.0879! USER MOD Single : A 48 SER OG : rot 180:sc= -0.143 USER MOD Single : A 52 TYR OH : rot 180:sc= -1.43 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0.096) USER MOD Single : A 64 GLN : amide:sc= -1.43! C(o=-1.4!,f=-1.9!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.522 X(o=-0.52,f=-0.91) USER MOD Single : A 85 LYS NZ :NH3+ 127:sc= -0.73 (180deg=-1.49!) USER MOD Single : A 86 SER OG : rot 74:sc= 0.14 USER MOD Single : A 87 GLN : amide:sc= -1.04 X(o=-1,f=-0.92) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 70:sc= 0.611 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 104 SER OG : rot 16:sc= 0.995 USER MOD ----------------------------------------------------------------- ATOM 70 N LYS A 21 -7.589 -5.242 -11.991 1.00 0.00 N ATOM 71 CA LYS A 21 -6.764 -4.390 -12.840 1.00 0.00 C ATOM 72 C LYS A 21 -5.805 -3.553 -11.999 1.00 0.00 C ATOM 73 O LYS A 21 -6.155 -3.094 -10.912 1.00 0.00 O ATOM 74 CB LYS A 21 -7.642 -3.475 -13.700 1.00 0.00 C ATOM 75 CG LYS A 21 -8.860 -2.925 -12.972 1.00 0.00 C ATOM 76 CD LYS A 21 -8.558 -1.593 -12.307 1.00 0.00 C ATOM 77 CE LYS A 21 -9.809 -0.974 -11.703 1.00 0.00 C ATOM 78 NZ LYS A 21 -10.383 0.085 -12.580 1.00 0.00 N ATOM 0 HA LYS A 21 -6.179 -5.034 -13.496 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.038 -2.641 -14.059 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.975 -4.028 -14.578 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.682 -2.802 -13.677 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.190 -3.642 -12.220 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.809 -1.736 -11.528 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.130 -0.909 -13.039 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.555 -1.751 -11.537 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.569 -0.548 -10.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.234 0.482 -12.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.681 0.839 -12.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.635 -0.326 -13.501 1.00 0.00 H new ATOM 92 N ARG A 22 -4.593 -3.360 -12.509 1.00 0.00 N ATOM 93 CA ARG A 22 -3.582 -2.579 -11.805 1.00 0.00 C ATOM 94 C ARG A 22 -3.574 -1.137 -12.300 1.00 0.00 C ATOM 95 O ARG A 22 -3.785 -0.878 -13.484 1.00 0.00 O ATOM 96 CB ARG A 22 -2.195 -3.202 -11.994 1.00 0.00 C ATOM 97 CG ARG A 22 -2.191 -4.725 -11.957 1.00 0.00 C ATOM 98 CD ARG A 22 -1.479 -5.314 -13.165 1.00 0.00 C ATOM 99 NE ARG A 22 -2.415 -5.916 -14.111 1.00 0.00 N ATOM 100 CZ ARG A 22 -2.949 -7.125 -13.958 1.00 0.00 C ATOM 101 NH1 ARG A 22 -2.645 -7.864 -12.898 1.00 0.00 N ATOM 102 NH2 ARG A 22 -3.792 -7.597 -14.867 1.00 0.00 N ATOM 0 H ARG A 22 -4.287 -3.734 -13.407 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.830 -2.583 -10.744 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.786 -2.871 -12.948 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.530 -2.828 -11.215 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.702 -5.066 -11.044 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.217 -5.091 -11.925 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.909 -4.532 -13.667 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.764 -6.067 -12.833 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.675 -5.378 -14.938 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.999 -7.506 -12.195 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.058 -8.790 -12.787 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.031 -7.033 -15.683 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.202 -8.524 -14.750 1.00 0.00 H new ATOM 116 N LEU A 23 -3.331 -0.201 -11.388 1.00 0.00 N ATOM 117 CA LEU A 23 -3.300 1.214 -11.747 1.00 0.00 C ATOM 118 C LEU A 23 -2.161 1.942 -11.038 1.00 0.00 C ATOM 119 O LEU A 23 -1.869 1.673 -9.874 1.00 0.00 O ATOM 120 CB LEU A 23 -4.636 1.899 -11.418 1.00 0.00 C ATOM 121 CG LEU A 23 -5.640 1.047 -10.638 1.00 0.00 C ATOM 122 CD1 LEU A 23 -6.087 1.764 -9.372 1.00 0.00 C ATOM 123 CD2 LEU A 23 -6.841 0.705 -11.508 1.00 0.00 C ATOM 0 H LEU A 23 -3.154 -0.394 -10.402 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.132 1.268 -12.823 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.429 2.802 -10.844 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.102 2.214 -12.352 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.147 0.119 -10.350 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.800 1.140 -8.833 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.222 1.956 -8.738 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.560 2.710 -9.637 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.544 0.099 -10.936 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.332 1.624 -11.829 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.509 0.147 -12.383 1.00 0.00 H new ATOM 135 N ASN A 24 -1.532 2.870 -11.750 1.00 0.00 N ATOM 136 CA ASN A 24 -0.433 3.649 -11.193 1.00 0.00 C ATOM 137 C ASN A 24 -0.974 4.853 -10.429 1.00 0.00 C ATOM 138 O ASN A 24 -1.757 5.637 -10.965 1.00 0.00 O ATOM 139 CB ASN A 24 0.510 4.114 -12.304 1.00 0.00 C ATOM 140 CG ASN A 24 -0.227 4.807 -13.434 1.00 0.00 C ATOM 141 OD1 ASN A 24 -0.595 5.976 -13.326 1.00 0.00 O ATOM 142 ND2 ASN A 24 -0.447 4.085 -14.527 1.00 0.00 N ATOM 0 H ASN A 24 -1.765 3.101 -12.716 1.00 0.00 H new ATOM 0 HA ASN A 24 0.125 3.015 -10.504 1.00 0.00 H new ATOM 0 HB2 ASN A 24 1.252 4.795 -11.886 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.052 3.255 -12.700 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.939 4.497 -15.320 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.124 3.119 -14.573 1.00 0.00 H new ATOM 149 N ILE A 25 -0.563 4.991 -9.173 1.00 0.00 N ATOM 150 CA ILE A 25 -1.024 6.097 -8.344 1.00 0.00 C ATOM 151 C ILE A 25 0.126 6.752 -7.589 1.00 0.00 C ATOM 152 O ILE A 25 0.680 6.171 -6.655 1.00 0.00 O ATOM 153 CB ILE A 25 -2.091 5.628 -7.336 1.00 0.00 C ATOM 154 CG1 ILE A 25 -3.226 4.911 -8.068 1.00 0.00 C ATOM 155 CG2 ILE A 25 -2.627 6.809 -6.535 1.00 0.00 C ATOM 156 CD1 ILE A 25 -4.326 4.420 -7.151 1.00 0.00 C ATOM 0 H ILE A 25 0.085 4.354 -8.709 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.464 6.832 -9.018 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.630 4.928 -6.639 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.656 5.588 -8.806 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.815 4.062 -8.615 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.379 6.458 -5.829 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.809 7.280 -5.990 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.076 7.534 -7.213 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.096 3.922 -7.740 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.911 3.717 -6.429 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.764 5.267 -6.623 1.00 0.00 H new ATOM 168 N GLN A 26 0.466 7.973 -7.988 1.00 0.00 N ATOM 169 CA GLN A 26 1.535 8.720 -7.340 1.00 0.00 C ATOM 170 C GLN A 26 0.949 9.841 -6.490 1.00 0.00 C ATOM 171 O GLN A 26 -0.165 10.300 -6.743 1.00 0.00 O ATOM 172 CB GLN A 26 2.509 9.284 -8.378 1.00 0.00 C ATOM 173 CG GLN A 26 1.914 10.377 -9.250 1.00 0.00 C ATOM 174 CD GLN A 26 1.095 9.826 -10.402 1.00 0.00 C ATOM 175 OE1 GLN A 26 -0.132 9.755 -10.329 1.00 0.00 O ATOM 176 NE2 GLN A 26 1.773 9.432 -11.474 1.00 0.00 N ATOM 0 H GLN A 26 0.015 8.466 -8.759 1.00 0.00 H new ATOM 0 HA GLN A 26 2.089 8.042 -6.691 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.384 9.680 -7.863 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.855 8.471 -9.017 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.284 11.022 -8.638 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.717 10.998 -9.645 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.790 9.509 -11.491 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.277 9.052 -12.280 1.00 0.00 H new ATOM 185 N LEU A 27 1.689 10.271 -5.474 1.00 0.00 N ATOM 186 CA LEU A 27 1.208 11.326 -4.590 1.00 0.00 C ATOM 187 C LEU A 27 2.317 12.295 -4.198 1.00 0.00 C ATOM 188 O LEU A 27 3.388 11.885 -3.757 1.00 0.00 O ATOM 189 CB LEU A 27 0.593 10.711 -3.334 1.00 0.00 C ATOM 190 CG LEU A 27 -0.468 9.644 -3.601 1.00 0.00 C ATOM 191 CD1 LEU A 27 -0.719 8.814 -2.351 1.00 0.00 C ATOM 192 CD2 LEU A 27 -1.758 10.287 -4.087 1.00 0.00 C ATOM 0 H LEU A 27 2.615 9.910 -5.244 1.00 0.00 H new ATOM 0 HA LEU A 27 0.453 11.891 -5.136 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.389 10.270 -2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.147 11.507 -2.737 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.100 8.980 -4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.477 8.060 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.206 8.324 -2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.066 9.463 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.503 9.513 -4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.130 10.975 -3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.566 10.835 -5.010 1.00 0.00 H new ATOM 204 N LYS A 28 2.040 13.586 -4.351 1.00 0.00 N ATOM 205 CA LYS A 28 3.002 14.623 -4.003 1.00 0.00 C ATOM 206 C LYS A 28 3.158 14.722 -2.491 1.00 0.00 C ATOM 207 O LYS A 28 2.225 15.107 -1.785 1.00 0.00 O ATOM 208 CB LYS A 28 2.559 15.974 -4.567 1.00 0.00 C ATOM 209 CG LYS A 28 3.604 17.065 -4.407 1.00 0.00 C ATOM 210 CD LYS A 28 4.900 16.694 -5.105 1.00 0.00 C ATOM 211 CE LYS A 28 5.794 17.907 -5.305 1.00 0.00 C ATOM 212 NZ LYS A 28 5.266 18.820 -6.356 1.00 0.00 N ATOM 0 H LYS A 28 1.155 13.939 -4.715 1.00 0.00 H new ATOM 0 HA LYS A 28 3.964 14.355 -4.440 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.324 15.858 -5.625 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.641 16.284 -4.068 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.222 18.000 -4.817 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.795 17.236 -3.348 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.429 15.944 -4.517 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.677 16.242 -6.072 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.884 18.450 -4.364 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.796 17.578 -5.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.011 19.487 -6.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.965 18.263 -7.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.453 19.349 -5.980 1.00 0.00 H new ATOM 226 N LYS A 29 4.341 14.369 -1.998 1.00 0.00 N ATOM 227 CA LYS A 29 4.613 14.418 -0.566 1.00 0.00 C ATOM 228 C LYS A 29 4.355 15.812 -0.006 1.00 0.00 C ATOM 229 O LYS A 29 5.112 16.748 -0.268 1.00 0.00 O ATOM 230 CB LYS A 29 6.058 14.004 -0.288 1.00 0.00 C ATOM 231 CG LYS A 29 6.411 13.991 1.189 1.00 0.00 C ATOM 232 CD LYS A 29 6.191 12.622 1.803 1.00 0.00 C ATOM 233 CE LYS A 29 7.033 12.431 3.054 1.00 0.00 C ATOM 234 NZ LYS A 29 6.442 13.122 4.232 1.00 0.00 N ATOM 0 H LYS A 29 5.124 14.047 -2.567 1.00 0.00 H new ATOM 0 HA LYS A 29 3.938 13.720 -0.071 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.229 13.011 -0.703 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.730 14.687 -0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.453 14.285 1.317 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.805 14.728 1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.137 12.498 2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.440 11.851 1.074 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.129 11.367 3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.039 12.812 2.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.196 13.590 4.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.756 13.833 3.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.961 12.426 4.837 1.00 0.00 H new ATOM 284 N GLY A 33 3.364 12.756 5.445 1.00 0.00 N ATOM 285 CA GLY A 33 3.337 11.435 4.848 1.00 0.00 C ATOM 286 C GLY A 33 2.484 11.384 3.597 1.00 0.00 C ATOM 287 O GLY A 33 2.601 12.242 2.722 1.00 0.00 O ATOM 0 HA2 GLY A 33 4.354 11.129 4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.954 10.718 5.575 1.00 0.00 H new ATOM 291 N LEU A 34 1.624 10.375 3.508 1.00 0.00 N ATOM 292 CA LEU A 34 0.749 10.218 2.351 1.00 0.00 C ATOM 293 C LEU A 34 -0.699 9.954 2.772 1.00 0.00 C ATOM 294 O LEU A 34 -1.565 9.724 1.929 1.00 0.00 O ATOM 295 CB LEU A 34 1.254 9.080 1.465 1.00 0.00 C ATOM 296 CG LEU A 34 2.497 9.410 0.640 1.00 0.00 C ATOM 297 CD1 LEU A 34 3.756 9.190 1.465 1.00 0.00 C ATOM 298 CD2 LEU A 34 2.533 8.569 -0.628 1.00 0.00 C ATOM 0 H LEU A 34 1.514 9.655 4.222 1.00 0.00 H new ATOM 0 HA LEU A 34 0.767 11.151 1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.472 8.218 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.454 8.784 0.787 1.00 0.00 H new ATOM 0 HG LEU A 34 2.454 10.461 0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.632 9.430 0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.732 9.835 2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.807 8.148 1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.425 8.817 -1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.554 7.512 -0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.646 8.775 -1.227 1.00 0.00 H new ATOM 310 N GLY A 35 -0.958 10.001 4.076 1.00 0.00 N ATOM 311 CA GLY A 35 -2.301 9.776 4.580 1.00 0.00 C ATOM 312 C GLY A 35 -2.867 8.424 4.194 1.00 0.00 C ATOM 313 O GLY A 35 -4.077 8.286 4.014 1.00 0.00 O ATOM 0 H GLY A 35 -0.259 10.192 4.794 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.293 9.862 5.667 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.959 10.559 4.203 1.00 0.00 H new ATOM 317 N PHE A 36 -2.004 7.423 4.072 1.00 0.00 N ATOM 318 CA PHE A 36 -2.454 6.084 3.712 1.00 0.00 C ATOM 319 C PHE A 36 -1.680 5.016 4.478 1.00 0.00 C ATOM 320 O PHE A 36 -0.449 4.997 4.473 1.00 0.00 O ATOM 321 CB PHE A 36 -2.321 5.863 2.199 1.00 0.00 C ATOM 322 CG PHE A 36 -0.951 5.430 1.752 1.00 0.00 C ATOM 323 CD1 PHE A 36 0.170 6.164 2.100 1.00 0.00 C ATOM 324 CD2 PHE A 36 -0.786 4.287 0.988 1.00 0.00 C ATOM 325 CE1 PHE A 36 1.430 5.770 1.693 1.00 0.00 C ATOM 326 CE2 PHE A 36 0.471 3.887 0.576 1.00 0.00 C ATOM 327 CZ PHE A 36 1.580 4.628 0.929 1.00 0.00 C ATOM 0 H PHE A 36 -0.998 7.511 4.215 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.505 5.997 3.987 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.046 5.110 1.889 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.582 6.788 1.685 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.058 7.057 2.698 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.650 3.701 0.711 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.296 6.353 1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.585 2.995 -0.022 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.563 4.316 0.609 1.00 0.00 H new ATOM 337 N SER A 37 -2.415 4.120 5.126 1.00 0.00 N ATOM 338 CA SER A 37 -1.806 3.037 5.886 1.00 0.00 C ATOM 339 C SER A 37 -1.993 1.718 5.149 1.00 0.00 C ATOM 340 O SER A 37 -3.082 1.423 4.657 1.00 0.00 O ATOM 341 CB SER A 37 -2.423 2.951 7.283 1.00 0.00 C ATOM 342 OG SER A 37 -1.890 1.859 8.011 1.00 0.00 O ATOM 0 H SER A 37 -3.435 4.123 5.140 1.00 0.00 H new ATOM 0 HA SER A 37 -0.740 3.239 5.991 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.236 3.879 7.824 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.504 2.843 7.200 1.00 0.00 H new ATOM 0 HG SER A 37 -2.300 1.828 8.901 1.00 0.00 H new ATOM 348 N ILE A 38 -0.930 0.931 5.065 1.00 0.00 N ATOM 349 CA ILE A 38 -0.995 -0.347 4.371 1.00 0.00 C ATOM 350 C ILE A 38 -0.768 -1.520 5.315 1.00 0.00 C ATOM 351 O ILE A 38 -0.008 -1.426 6.278 1.00 0.00 O ATOM 352 CB ILE A 38 0.030 -0.427 3.227 1.00 0.00 C ATOM 353 CG1 ILE A 38 1.431 -0.085 3.733 1.00 0.00 C ATOM 354 CG2 ILE A 38 -0.370 0.503 2.092 1.00 0.00 C ATOM 355 CD1 ILE A 38 2.079 -1.193 4.534 1.00 0.00 C ATOM 0 H ILE A 38 -0.018 1.153 5.466 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.002 -0.412 3.958 1.00 0.00 H new ATOM 0 HB ILE A 38 0.045 -1.449 2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.067 0.154 2.880 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.375 0.812 4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.365 0.435 1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.350 0.213 1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.413 1.528 2.460 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.070 -0.876 4.858 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.466 -1.417 5.407 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.168 -2.085 3.915 1.00 0.00 H new ATOM 367 N THR A 39 -1.432 -2.626 5.013 1.00 0.00 N ATOM 368 CA THR A 39 -1.312 -3.842 5.809 1.00 0.00 C ATOM 369 C THR A 39 -0.477 -4.882 5.069 1.00 0.00 C ATOM 370 O THR A 39 -0.148 -4.704 3.896 1.00 0.00 O ATOM 371 CB THR A 39 -2.695 -4.416 6.131 1.00 0.00 C ATOM 372 OG1 THR A 39 -2.596 -5.772 6.530 1.00 0.00 O ATOM 373 CG2 THR A 39 -3.658 -4.353 4.966 1.00 0.00 C ATOM 0 H THR A 39 -2.064 -2.708 4.217 1.00 0.00 H new ATOM 0 HA THR A 39 -0.813 -3.588 6.744 1.00 0.00 H new ATOM 0 HB THR A 39 -3.083 -3.793 6.937 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.490 -6.119 6.733 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.617 -4.776 5.264 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.797 -3.315 4.665 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.254 -4.923 4.129 1.00 0.00 H new ATOM 381 N SER A 40 -0.135 -5.965 5.756 1.00 0.00 N ATOM 382 CA SER A 40 0.663 -7.028 5.154 1.00 0.00 C ATOM 383 C SER A 40 -0.013 -8.383 5.331 1.00 0.00 C ATOM 384 O SER A 40 -0.387 -8.762 6.441 1.00 0.00 O ATOM 385 CB SER A 40 2.060 -7.057 5.775 1.00 0.00 C ATOM 386 OG SER A 40 2.055 -7.743 7.015 1.00 0.00 O ATOM 0 H SER A 40 -0.396 -6.131 6.728 1.00 0.00 H new ATOM 0 HA SER A 40 0.751 -6.823 4.087 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.755 -7.543 5.090 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.417 -6.038 5.922 1.00 0.00 H new ATOM 0 HG SER A 40 1.283 -8.346 7.052 1.00 0.00 H new ATOM 392 N ARG A 41 -0.166 -9.113 4.229 1.00 0.00 N ATOM 393 CA ARG A 41 -0.795 -10.429 4.263 1.00 0.00 C ATOM 394 C ARG A 41 -0.094 -11.349 5.260 1.00 0.00 C ATOM 395 O ARG A 41 -0.694 -12.292 5.775 1.00 0.00 O ATOM 396 CB ARG A 41 -0.776 -11.061 2.870 1.00 0.00 C ATOM 397 CG ARG A 41 -2.053 -11.815 2.527 1.00 0.00 C ATOM 398 CD ARG A 41 -1.754 -13.139 1.843 1.00 0.00 C ATOM 399 NE ARG A 41 -2.763 -14.151 2.146 1.00 0.00 N ATOM 400 CZ ARG A 41 -3.981 -14.168 1.612 1.00 0.00 C ATOM 401 NH1 ARG A 41 -4.346 -13.232 0.746 1.00 0.00 N ATOM 402 NH2 ARG A 41 -4.838 -15.125 1.945 1.00 0.00 N ATOM 0 H ARG A 41 0.137 -8.815 3.302 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.828 -10.299 4.585 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.615 -10.280 2.127 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.070 -11.745 2.802 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.625 -11.996 3.437 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.675 -11.201 1.876 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.705 -12.987 0.765 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.774 -13.497 2.159 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.519 -14.889 2.807 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.691 -12.494 0.486 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.281 -13.250 0.340 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.563 -15.847 2.610 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.772 -15.138 1.536 1.00 0.00 H new ATOM 491 N SER A 48 8.424 -13.083 1.000 1.00 0.00 N ATOM 492 CA SER A 48 7.500 -12.404 0.099 1.00 0.00 C ATOM 493 C SER A 48 6.104 -12.327 0.708 1.00 0.00 C ATOM 494 O SER A 48 5.607 -13.300 1.274 1.00 0.00 O ATOM 495 CB SER A 48 7.443 -13.126 -1.248 1.00 0.00 C ATOM 496 OG SER A 48 7.434 -12.201 -2.322 1.00 0.00 O ATOM 0 HA SER A 48 7.865 -11.389 -0.057 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.301 -13.791 -1.344 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.550 -13.749 -1.293 1.00 0.00 H new ATOM 0 HG SER A 48 7.399 -12.687 -3.172 1.00 0.00 H new ATOM 502 N ALA A 49 5.478 -11.163 0.582 1.00 0.00 N ATOM 503 CA ALA A 49 4.137 -10.952 1.115 1.00 0.00 C ATOM 504 C ALA A 49 3.487 -9.726 0.473 1.00 0.00 C ATOM 505 O ALA A 49 4.060 -8.637 0.483 1.00 0.00 O ATOM 506 CB ALA A 49 4.189 -10.799 2.627 1.00 0.00 C ATOM 0 H ALA A 49 5.878 -10.349 0.115 1.00 0.00 H new ATOM 0 HA ALA A 49 3.529 -11.824 0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.181 -10.642 3.012 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.610 -11.702 3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.813 -9.943 2.885 1.00 0.00 H new ATOM 512 N PRO A 50 2.280 -9.885 -0.102 1.00 0.00 N ATOM 513 CA PRO A 50 1.567 -8.781 -0.752 1.00 0.00 C ATOM 514 C PRO A 50 1.074 -7.731 0.241 1.00 0.00 C ATOM 515 O PRO A 50 0.498 -8.063 1.278 1.00 0.00 O ATOM 516 CB PRO A 50 0.382 -9.469 -1.433 1.00 0.00 C ATOM 517 CG PRO A 50 0.163 -10.717 -0.651 1.00 0.00 C ATOM 518 CD PRO A 50 1.521 -11.148 -0.168 1.00 0.00 C ATOM 0 HA PRO A 50 2.214 -8.236 -1.439 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.504 -8.834 -1.420 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.601 -9.690 -2.478 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.511 -10.539 0.187 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.294 -11.489 -1.269 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.465 -11.634 0.806 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.984 -11.859 -0.853 1.00 0.00 H new ATOM 526 N ILE A 51 1.307 -6.464 -0.088 1.00 0.00 N ATOM 527 CA ILE A 51 0.891 -5.356 0.764 1.00 0.00 C ATOM 528 C ILE A 51 -0.382 -4.705 0.231 1.00 0.00 C ATOM 529 O ILE A 51 -0.538 -4.526 -0.976 1.00 0.00 O ATOM 530 CB ILE A 51 1.995 -4.289 0.865 1.00 0.00 C ATOM 531 CG1 ILE A 51 3.329 -4.939 1.259 1.00 0.00 C ATOM 532 CG2 ILE A 51 1.598 -3.199 1.854 1.00 0.00 C ATOM 533 CD1 ILE A 51 3.530 -5.083 2.754 1.00 0.00 C ATOM 0 H ILE A 51 1.784 -6.179 -0.943 1.00 0.00 H new ATOM 0 HA ILE A 51 0.699 -5.767 1.755 1.00 0.00 H new ATOM 0 HB ILE A 51 2.122 -3.822 -0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.390 -5.925 0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.145 -4.344 0.849 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.391 -2.454 1.912 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.676 -2.723 1.520 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.442 -3.640 2.839 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.495 -5.550 2.948 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.503 -4.099 3.221 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.736 -5.704 3.170 1.00 0.00 H new ATOM 545 N TYR A 52 -1.290 -4.352 1.136 1.00 0.00 N ATOM 546 CA TYR A 52 -2.547 -3.719 0.750 1.00 0.00 C ATOM 547 C TYR A 52 -2.804 -2.461 1.575 1.00 0.00 C ATOM 548 O TYR A 52 -2.061 -2.158 2.507 1.00 0.00 O ATOM 549 CB TYR A 52 -3.713 -4.696 0.924 1.00 0.00 C ATOM 550 CG TYR A 52 -3.400 -6.106 0.478 1.00 0.00 C ATOM 551 CD1 TYR A 52 -2.813 -7.016 1.349 1.00 0.00 C ATOM 552 CD2 TYR A 52 -3.691 -6.529 -0.814 1.00 0.00 C ATOM 553 CE1 TYR A 52 -2.525 -8.306 0.947 1.00 0.00 C ATOM 554 CE2 TYR A 52 -3.407 -7.817 -1.223 1.00 0.00 C ATOM 555 CZ TYR A 52 -2.824 -8.702 -0.341 1.00 0.00 C ATOM 556 OH TYR A 52 -2.539 -9.986 -0.746 1.00 0.00 O ATOM 0 H TYR A 52 -1.179 -4.493 2.140 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.469 -3.436 -0.300 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.006 -4.714 1.974 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.570 -4.328 0.360 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.578 -6.709 2.358 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.147 -5.839 -1.509 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.069 -9.001 1.637 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.641 -8.130 -2.230 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.813 -10.103 -1.680 1.00 0.00 H new ATOM 566 N VAL A 53 -3.863 -1.738 1.226 1.00 0.00 N ATOM 567 CA VAL A 53 -4.225 -0.518 1.936 1.00 0.00 C ATOM 568 C VAL A 53 -5.219 -0.818 3.052 1.00 0.00 C ATOM 569 O VAL A 53 -6.404 -1.034 2.801 1.00 0.00 O ATOM 570 CB VAL A 53 -4.834 0.528 0.984 1.00 0.00 C ATOM 571 CG1 VAL A 53 -5.073 1.844 1.713 1.00 0.00 C ATOM 572 CG2 VAL A 53 -3.933 0.738 -0.224 1.00 0.00 C ATOM 0 H VAL A 53 -4.486 -1.977 0.455 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.309 -0.111 2.364 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.796 0.154 0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.504 2.569 1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.760 1.681 2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.126 2.225 2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.379 1.480 -0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.956 1.088 0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.818 -0.204 -0.760 1.00 0.00 H new ATOM 582 N LYS A 54 -4.725 -0.835 4.284 1.00 0.00 N ATOM 583 CA LYS A 54 -5.564 -1.116 5.441 1.00 0.00 C ATOM 584 C LYS A 54 -6.441 0.079 5.788 1.00 0.00 C ATOM 585 O LYS A 54 -7.537 -0.084 6.324 1.00 0.00 O ATOM 586 CB LYS A 54 -4.698 -1.485 6.646 1.00 0.00 C ATOM 587 CG LYS A 54 -5.500 -1.949 7.851 1.00 0.00 C ATOM 588 CD LYS A 54 -4.607 -2.573 8.912 1.00 0.00 C ATOM 589 CE LYS A 54 -5.136 -3.926 9.362 1.00 0.00 C ATOM 590 NZ LYS A 54 -4.767 -4.225 10.772 1.00 0.00 N ATOM 0 H LYS A 54 -3.746 -0.657 4.507 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.210 -1.957 5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.004 -2.274 6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.098 -0.621 6.930 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.037 -1.103 8.279 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.249 -2.674 7.533 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.598 -2.689 8.517 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.538 -1.904 9.770 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.221 -3.944 9.259 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.741 -4.705 8.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.146 -5.156 11.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.731 -4.233 10.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.165 -3.496 11.397 1.00 0.00 H new ATOM 604 N ASN A 55 -5.958 1.280 5.489 1.00 0.00 N ATOM 605 CA ASN A 55 -6.720 2.489 5.789 1.00 0.00 C ATOM 606 C ASN A 55 -6.165 3.711 5.066 1.00 0.00 C ATOM 607 O ASN A 55 -4.983 3.767 4.725 1.00 0.00 O ATOM 608 CB ASN A 55 -6.731 2.739 7.300 1.00 0.00 C ATOM 609 CG ASN A 55 -8.123 3.030 7.827 1.00 0.00 C ATOM 610 OD1 ASN A 55 -8.938 2.122 7.995 1.00 0.00 O ATOM 611 ND2 ASN A 55 -8.402 4.300 8.092 1.00 0.00 N ATOM 0 H ASN A 55 -5.054 1.443 5.045 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.738 2.330 5.433 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -6.326 1.867 7.813 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.075 3.578 7.532 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.322 4.556 8.450 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.696 5.020 7.938 1.00 0.00 H new ATOM 618 N ILE A 56 -7.036 4.693 4.850 1.00 0.00 N ATOM 619 CA ILE A 56 -6.659 5.932 4.183 1.00 0.00 C ATOM 620 C ILE A 56 -6.919 7.124 5.102 1.00 0.00 C ATOM 621 O ILE A 56 -8.050 7.594 5.222 1.00 0.00 O ATOM 622 CB ILE A 56 -7.434 6.118 2.861 1.00 0.00 C ATOM 623 CG1 ILE A 56 -7.120 4.968 1.900 1.00 0.00 C ATOM 624 CG2 ILE A 56 -7.104 7.462 2.223 1.00 0.00 C ATOM 625 CD1 ILE A 56 -5.772 5.091 1.217 1.00 0.00 C ATOM 0 H ILE A 56 -8.016 4.652 5.131 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.596 5.874 3.951 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.502 6.106 3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.153 4.028 2.450 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.899 4.920 1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.662 7.570 1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.378 8.266 2.906 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.036 7.513 2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.622 4.240 0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.741 6.014 0.638 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.983 5.108 1.969 1.00 0.00 H new ATOM 637 N LEU A 57 -5.865 7.594 5.758 1.00 0.00 N ATOM 638 CA LEU A 57 -5.973 8.718 6.681 1.00 0.00 C ATOM 639 C LEU A 57 -6.510 9.968 5.984 1.00 0.00 C ATOM 640 O LEU A 57 -6.268 10.179 4.795 1.00 0.00 O ATOM 641 CB LEU A 57 -4.614 9.006 7.318 1.00 0.00 C ATOM 642 CG LEU A 57 -3.888 7.772 7.858 1.00 0.00 C ATOM 643 CD1 LEU A 57 -2.609 8.173 8.576 1.00 0.00 C ATOM 644 CD2 LEU A 57 -4.799 6.980 8.785 1.00 0.00 C ATOM 0 H LEU A 57 -4.923 7.213 5.668 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.683 8.445 7.461 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.977 9.491 6.579 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.753 9.715 8.134 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.620 7.136 7.015 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.108 7.281 8.952 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.950 8.694 7.881 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.851 8.832 9.410 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.266 6.106 9.159 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.100 7.608 9.623 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.684 6.658 8.237 1.00 0.00 H new ATOM 656 N PRO A 58 -7.256 10.814 6.721 1.00 0.00 N ATOM 657 CA PRO A 58 -7.840 12.042 6.176 1.00 0.00 C ATOM 658 C PRO A 58 -6.856 13.208 6.113 1.00 0.00 C ATOM 659 O PRO A 58 -7.245 14.338 5.818 1.00 0.00 O ATOM 660 CB PRO A 58 -8.963 12.347 7.163 1.00 0.00 C ATOM 661 CG PRO A 58 -8.469 11.819 8.467 1.00 0.00 C ATOM 662 CD PRO A 58 -7.600 10.629 8.146 1.00 0.00 C ATOM 0 HA PRO A 58 -8.164 11.910 5.144 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.163 13.417 7.218 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.894 11.864 6.866 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.902 12.580 9.004 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.301 11.530 9.109 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.708 10.605 8.772 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.130 9.691 8.310 1.00 0.00 H new ATOM 670 N ARG A 59 -5.583 12.936 6.387 1.00 0.00 N ATOM 671 CA ARG A 59 -4.564 13.975 6.353 1.00 0.00 C ATOM 672 C ARG A 59 -3.313 13.491 5.628 1.00 0.00 C ATOM 673 O ARG A 59 -2.329 13.103 6.258 1.00 0.00 O ATOM 674 CB ARG A 59 -4.206 14.412 7.775 1.00 0.00 C ATOM 675 CG ARG A 59 -5.075 15.546 8.296 1.00 0.00 C ATOM 676 CD ARG A 59 -4.260 16.809 8.537 1.00 0.00 C ATOM 677 NE ARG A 59 -5.088 18.011 8.491 1.00 0.00 N ATOM 678 CZ ARG A 59 -5.490 18.592 7.363 1.00 0.00 C ATOM 679 NH1 ARG A 59 -5.147 18.081 6.187 1.00 0.00 N ATOM 680 NH2 ARG A 59 -6.240 19.686 7.410 1.00 0.00 N ATOM 0 H ARG A 59 -5.236 12.009 6.634 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.969 14.827 5.807 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.299 13.557 8.444 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.162 14.724 7.799 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.869 15.756 7.580 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.556 15.240 9.225 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.769 16.744 9.508 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.473 16.882 7.786 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.375 18.430 9.375 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.573 17.239 6.145 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.458 18.530 5.326 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.509 20.082 8.311 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.548 20.131 6.545 1.00 0.00 H new ATOM 694 N GLY A 60 -3.356 13.521 4.300 1.00 0.00 N ATOM 695 CA GLY A 60 -2.218 13.087 3.512 1.00 0.00 C ATOM 696 C GLY A 60 -2.360 13.425 2.043 1.00 0.00 C ATOM 697 O GLY A 60 -3.357 14.018 1.626 1.00 0.00 O ATOM 0 H GLY A 60 -4.158 13.838 3.756 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.313 13.553 3.902 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.095 12.010 3.622 1.00 0.00 H new ATOM 701 N ALA A 61 -1.355 13.056 1.259 1.00 0.00 N ATOM 702 CA ALA A 61 -1.359 13.329 -0.172 1.00 0.00 C ATOM 703 C ALA A 61 -2.281 12.385 -0.938 1.00 0.00 C ATOM 704 O ALA A 61 -2.732 12.708 -2.037 1.00 0.00 O ATOM 705 CB ALA A 61 0.056 13.249 -0.727 1.00 0.00 C ATOM 0 H ALA A 61 -0.525 12.566 1.591 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.745 14.339 -0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.039 13.455 -1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.686 13.984 -0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.458 12.250 -0.556 1.00 0.00 H new ATOM 711 N ALA A 62 -2.554 11.216 -0.368 1.00 0.00 N ATOM 712 CA ALA A 62 -3.416 10.245 -1.029 1.00 0.00 C ATOM 713 C ALA A 62 -4.869 10.699 -1.029 1.00 0.00 C ATOM 714 O ALA A 62 -5.500 10.786 -2.083 1.00 0.00 O ATOM 715 CB ALA A 62 -3.285 8.877 -0.374 1.00 0.00 C ATOM 0 H ALA A 62 -2.195 10.921 0.540 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.091 10.167 -2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.937 8.166 -0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.252 8.537 -0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.573 8.947 0.675 1.00 0.00 H new ATOM 721 N ILE A 63 -5.401 10.986 0.153 1.00 0.00 N ATOM 722 CA ILE A 63 -6.779 11.427 0.269 1.00 0.00 C ATOM 723 C ILE A 63 -6.995 12.772 -0.421 1.00 0.00 C ATOM 724 O ILE A 63 -8.064 13.026 -0.974 1.00 0.00 O ATOM 725 CB ILE A 63 -7.219 11.503 1.743 1.00 0.00 C ATOM 726 CG1 ILE A 63 -8.675 11.063 1.851 1.00 0.00 C ATOM 727 CG2 ILE A 63 -7.022 12.903 2.320 1.00 0.00 C ATOM 728 CD1 ILE A 63 -9.104 10.742 3.261 1.00 0.00 C ATOM 0 H ILE A 63 -4.899 10.921 1.039 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.398 10.685 -0.235 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.593 10.832 2.332 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.315 11.852 1.456 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.828 10.184 1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.344 12.916 3.361 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.968 13.175 2.262 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.613 13.619 1.749 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.150 10.436 3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.489 9.932 3.653 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.983 11.625 3.888 1.00 0.00 H new ATOM 740 N GLN A 64 -5.978 13.628 -0.397 1.00 0.00 N ATOM 741 CA GLN A 64 -6.081 14.932 -1.035 1.00 0.00 C ATOM 742 C GLN A 64 -6.069 14.781 -2.555 1.00 0.00 C ATOM 743 O GLN A 64 -6.768 15.501 -3.267 1.00 0.00 O ATOM 744 CB GLN A 64 -4.947 15.856 -0.575 1.00 0.00 C ATOM 745 CG GLN A 64 -3.648 15.674 -1.341 1.00 0.00 C ATOM 746 CD GLN A 64 -2.548 16.598 -0.854 1.00 0.00 C ATOM 747 OE1 GLN A 64 -2.429 16.863 0.342 1.00 0.00 O ATOM 748 NE2 GLN A 64 -1.739 17.095 -1.782 1.00 0.00 N ATOM 0 H GLN A 64 -5.082 13.443 0.053 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.027 15.385 -0.738 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.273 16.891 -0.675 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.759 15.682 0.484 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.317 14.640 -1.246 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.827 15.856 -2.401 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.875 16.848 -2.762 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.982 17.724 -1.515 1.00 0.00 H new ATOM 757 N ASP A 65 -5.274 13.833 -3.041 1.00 0.00 N ATOM 758 CA ASP A 65 -5.175 13.579 -4.474 1.00 0.00 C ATOM 759 C ASP A 65 -6.449 12.924 -4.993 1.00 0.00 C ATOM 760 O ASP A 65 -6.900 13.209 -6.102 1.00 0.00 O ATOM 761 CB ASP A 65 -3.968 12.690 -4.777 1.00 0.00 C ATOM 762 CG ASP A 65 -2.722 13.494 -5.096 1.00 0.00 C ATOM 763 OD1 ASP A 65 -2.835 14.497 -5.832 1.00 0.00 O ATOM 764 OD2 ASP A 65 -1.634 13.121 -4.610 1.00 0.00 O ATOM 0 H ASP A 65 -4.689 13.228 -2.464 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.044 14.535 -4.981 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.771 12.045 -3.921 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.202 12.039 -5.619 1.00 0.00 H new ATOM 769 N GLY A 66 -7.024 12.040 -4.183 1.00 0.00 N ATOM 770 CA GLY A 66 -8.241 11.354 -4.574 1.00 0.00 C ATOM 771 C GLY A 66 -8.022 10.400 -5.731 1.00 0.00 C ATOM 772 O GLY A 66 -8.570 10.595 -6.817 1.00 0.00 O ATOM 0 H GLY A 66 -6.668 11.787 -3.261 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -8.633 10.801 -3.720 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.996 12.090 -4.851 1.00 0.00 H new ATOM 776 N ARG A 67 -7.217 9.367 -5.502 1.00 0.00 N ATOM 777 CA ARG A 67 -6.928 8.384 -6.538 1.00 0.00 C ATOM 778 C ARG A 67 -6.714 6.997 -5.940 1.00 0.00 C ATOM 779 O ARG A 67 -7.246 6.007 -6.443 1.00 0.00 O ATOM 780 CB ARG A 67 -5.693 8.800 -7.343 1.00 0.00 C ATOM 781 CG ARG A 67 -4.603 9.448 -6.505 1.00 0.00 C ATOM 782 CD ARG A 67 -3.551 10.109 -7.381 1.00 0.00 C ATOM 783 NE ARG A 67 -4.129 11.112 -8.270 1.00 0.00 N ATOM 784 CZ ARG A 67 -3.533 11.556 -9.376 1.00 0.00 C ATOM 785 NH1 ARG A 67 -2.340 11.092 -9.728 1.00 0.00 N ATOM 786 NH2 ARG A 67 -4.131 12.467 -10.131 1.00 0.00 N ATOM 0 H ARG A 67 -6.755 9.190 -4.610 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.790 8.341 -7.203 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.282 7.921 -7.840 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.998 9.495 -8.125 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.045 10.191 -5.841 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.132 8.695 -5.873 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.796 10.577 -6.750 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.044 9.348 -7.974 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.043 11.496 -8.030 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.875 10.392 -9.151 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.889 11.436 -10.576 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.047 12.828 -9.865 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.675 12.807 -10.978 1.00 0.00 H new ATOM 800 N LEU A 68 -5.936 6.930 -4.867 1.00 0.00 N ATOM 801 CA LEU A 68 -5.654 5.664 -4.207 1.00 0.00 C ATOM 802 C LEU A 68 -6.359 5.591 -2.854 1.00 0.00 C ATOM 803 O LEU A 68 -6.207 6.479 -2.015 1.00 0.00 O ATOM 804 CB LEU A 68 -4.138 5.485 -4.044 1.00 0.00 C ATOM 805 CG LEU A 68 -3.658 5.068 -2.654 1.00 0.00 C ATOM 806 CD1 LEU A 68 -4.155 3.669 -2.314 1.00 0.00 C ATOM 807 CD2 LEU A 68 -2.140 5.130 -2.576 1.00 0.00 C ATOM 0 H LEU A 68 -5.489 7.739 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.036 4.852 -4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.801 4.738 -4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.651 6.424 -4.308 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.069 5.764 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.803 3.389 -1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.245 3.656 -2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.773 2.959 -3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.814 4.830 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.710 4.456 -3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.807 6.148 -2.775 1.00 0.00 H new ATOM 819 N LYS A 69 -7.124 4.525 -2.650 1.00 0.00 N ATOM 820 CA LYS A 69 -7.844 4.334 -1.399 1.00 0.00 C ATOM 821 C LYS A 69 -7.746 2.885 -0.928 1.00 0.00 C ATOM 822 O LYS A 69 -6.968 2.100 -1.470 1.00 0.00 O ATOM 823 CB LYS A 69 -9.307 4.762 -1.551 1.00 0.00 C ATOM 824 CG LYS A 69 -10.202 3.703 -2.170 1.00 0.00 C ATOM 825 CD LYS A 69 -9.880 3.484 -3.642 1.00 0.00 C ATOM 826 CE LYS A 69 -11.096 3.720 -4.524 1.00 0.00 C ATOM 827 NZ LYS A 69 -10.982 4.987 -5.299 1.00 0.00 N ATOM 0 H LYS A 69 -7.261 3.781 -3.334 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.381 4.963 -0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.701 5.027 -0.570 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.349 5.662 -2.165 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.084 2.765 -1.628 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.245 4.002 -2.066 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.076 4.156 -3.943 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.516 2.467 -3.788 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.214 2.883 -5.212 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.993 3.752 -3.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.830 5.111 -5.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.895 5.789 -4.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.141 4.946 -5.909 1.00 0.00 H new ATOM 841 N ALA A 70 -8.537 2.536 0.081 1.00 0.00 N ATOM 842 CA ALA A 70 -8.536 1.181 0.621 1.00 0.00 C ATOM 843 C ALA A 70 -8.878 0.157 -0.457 1.00 0.00 C ATOM 844 O ALA A 70 -9.309 0.516 -1.553 1.00 0.00 O ATOM 845 CB ALA A 70 -9.513 1.074 1.780 1.00 0.00 C ATOM 0 H ALA A 70 -9.187 3.173 0.542 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.532 0.964 0.985 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.502 0.057 2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.222 1.770 2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.517 1.318 1.433 1.00 0.00 H new ATOM 851 N GLY A 71 -8.685 -1.117 -0.136 1.00 0.00 N ATOM 852 CA GLY A 71 -8.979 -2.175 -1.087 1.00 0.00 C ATOM 853 C GLY A 71 -8.000 -2.201 -2.245 1.00 0.00 C ATOM 854 O GLY A 71 -8.306 -2.734 -3.311 1.00 0.00 O ATOM 0 H GLY A 71 -8.330 -1.437 0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.957 -3.137 -0.575 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.990 -2.043 -1.473 1.00 0.00 H new ATOM 858 N ASP A 72 -6.820 -1.626 -2.038 1.00 0.00 N ATOM 859 CA ASP A 72 -5.796 -1.589 -3.074 1.00 0.00 C ATOM 860 C ASP A 72 -4.553 -2.362 -2.645 1.00 0.00 C ATOM 861 O ASP A 72 -4.172 -2.346 -1.474 1.00 0.00 O ATOM 862 CB ASP A 72 -5.424 -0.139 -3.398 1.00 0.00 C ATOM 863 CG ASP A 72 -6.151 0.384 -4.620 1.00 0.00 C ATOM 864 OD1 ASP A 72 -5.983 -0.203 -5.708 1.00 0.00 O ATOM 865 OD2 ASP A 72 -6.892 1.382 -4.488 1.00 0.00 O ATOM 0 H ASP A 72 -6.550 -1.179 -1.162 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.202 -2.063 -3.967 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.657 0.493 -2.541 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.348 -0.070 -3.561 1.00 0.00 H new ATOM 870 N ARG A 73 -3.923 -3.038 -3.600 1.00 0.00 N ATOM 871 CA ARG A 73 -2.722 -3.818 -3.321 1.00 0.00 C ATOM 872 C ARG A 73 -1.494 -3.169 -3.953 1.00 0.00 C ATOM 873 O ARG A 73 -1.410 -3.029 -5.172 1.00 0.00 O ATOM 874 CB ARG A 73 -2.884 -5.247 -3.844 1.00 0.00 C ATOM 875 CG ARG A 73 -1.839 -6.214 -3.314 1.00 0.00 C ATOM 876 CD ARG A 73 -0.564 -6.162 -4.139 1.00 0.00 C ATOM 877 NE ARG A 73 0.096 -7.463 -4.210 1.00 0.00 N ATOM 878 CZ ARG A 73 -0.380 -8.501 -4.893 1.00 0.00 C ATOM 879 NH1 ARG A 73 -1.523 -8.396 -5.561 1.00 0.00 N ATOM 880 NH2 ARG A 73 0.286 -9.647 -4.906 1.00 0.00 N ATOM 0 H ARG A 73 -4.224 -3.062 -4.574 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.580 -3.848 -2.241 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.875 -5.613 -3.574 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.835 -5.234 -4.933 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.612 -5.973 -2.276 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.240 -7.227 -3.326 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.798 -5.819 -5.147 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.119 -5.432 -3.705 1.00 0.00 H new ATOM 0 HE ARG A 73 0.974 -7.583 -3.706 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.040 -7.517 -5.552 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.884 -9.195 -6.083 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.163 -9.733 -4.393 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.079 -10.443 -5.429 1.00 0.00 H new ATOM 894 N LEU A 74 -0.545 -2.771 -3.111 1.00 0.00 N ATOM 895 CA LEU A 74 0.680 -2.133 -3.579 1.00 0.00 C ATOM 896 C LEU A 74 1.553 -3.112 -4.356 1.00 0.00 C ATOM 897 O LEU A 74 2.065 -4.084 -3.800 1.00 0.00 O ATOM 898 CB LEU A 74 1.462 -1.564 -2.393 1.00 0.00 C ATOM 899 CG LEU A 74 1.122 -0.116 -2.037 1.00 0.00 C ATOM 900 CD1 LEU A 74 0.250 -0.061 -0.791 1.00 0.00 C ATOM 901 CD2 LEU A 74 2.391 0.700 -1.840 1.00 0.00 C ATOM 0 H LEU A 74 -0.602 -2.880 -2.098 1.00 0.00 H new ATOM 0 HA LEU A 74 0.401 -1.322 -4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.278 -2.191 -1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.527 -1.629 -2.614 1.00 0.00 H new ATOM 0 HG LEU A 74 0.562 0.318 -2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.019 0.978 -0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.676 -0.607 -0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.782 -0.514 0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.128 1.727 -1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.980 0.267 -1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.976 0.691 -2.760 1.00 0.00 H new ATOM 913 N ILE A 75 1.719 -2.841 -5.644 1.00 0.00 N ATOM 914 CA ILE A 75 2.534 -3.684 -6.508 1.00 0.00 C ATOM 915 C ILE A 75 3.986 -3.219 -6.509 1.00 0.00 C ATOM 916 O ILE A 75 4.904 -4.015 -6.705 1.00 0.00 O ATOM 917 CB ILE A 75 1.998 -3.683 -7.947 1.00 0.00 C ATOM 918 CG1 ILE A 75 0.526 -4.106 -7.945 1.00 0.00 C ATOM 919 CG2 ILE A 75 2.835 -4.605 -8.826 1.00 0.00 C ATOM 920 CD1 ILE A 75 0.030 -4.616 -9.277 1.00 0.00 C ATOM 0 H ILE A 75 1.298 -2.040 -6.115 1.00 0.00 H new ATOM 0 HA ILE A 75 2.484 -4.699 -6.113 1.00 0.00 H new ATOM 0 HB ILE A 75 2.070 -2.677 -8.360 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.383 -4.883 -7.194 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.085 -3.255 -7.643 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.442 -4.593 -9.843 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.869 -4.261 -8.832 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.792 -5.621 -8.432 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.020 -4.895 -9.192 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.138 -3.834 -10.029 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.614 -5.488 -9.573 1.00 0.00 H new ATOM 932 N GLU A 76 4.184 -1.923 -6.283 1.00 0.00 N ATOM 933 CA GLU A 76 5.525 -1.350 -6.251 1.00 0.00 C ATOM 934 C GLU A 76 5.496 0.078 -5.720 1.00 0.00 C ATOM 935 O GLU A 76 4.429 0.651 -5.500 1.00 0.00 O ATOM 936 CB GLU A 76 6.161 -1.376 -7.644 1.00 0.00 C ATOM 937 CG GLU A 76 5.219 -0.946 -8.756 1.00 0.00 C ATOM 938 CD GLU A 76 5.144 0.561 -8.909 1.00 0.00 C ATOM 939 OE1 GLU A 76 4.563 1.218 -8.022 1.00 0.00 O ATOM 940 OE2 GLU A 76 5.666 1.080 -9.918 1.00 0.00 O ATOM 0 H GLU A 76 3.434 -1.251 -6.120 1.00 0.00 H new ATOM 0 HA GLU A 76 6.129 -1.959 -5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.034 -0.723 -7.647 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.517 -2.385 -7.852 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.549 -1.387 -9.697 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.222 -1.337 -8.553 1.00 0.00 H new ATOM 947 N VAL A 77 6.680 0.645 -5.516 1.00 0.00 N ATOM 948 CA VAL A 77 6.804 2.004 -5.008 1.00 0.00 C ATOM 949 C VAL A 77 8.063 2.671 -5.554 1.00 0.00 C ATOM 950 O VAL A 77 9.161 2.126 -5.443 1.00 0.00 O ATOM 951 CB VAL A 77 6.842 2.021 -3.464 1.00 0.00 C ATOM 952 CG1 VAL A 77 7.062 3.433 -2.940 1.00 0.00 C ATOM 953 CG2 VAL A 77 5.560 1.430 -2.895 1.00 0.00 C ATOM 0 H VAL A 77 7.570 0.181 -5.696 1.00 0.00 H new ATOM 0 HA VAL A 77 5.928 2.560 -5.343 1.00 0.00 H new ATOM 0 HB VAL A 77 7.681 1.407 -3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.085 3.417 -1.850 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.010 3.818 -3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.249 4.077 -3.277 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.603 1.449 -1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.707 2.017 -3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.451 0.400 -3.236 1.00 0.00 H new ATOM 963 N ASN A 78 7.897 3.847 -6.151 1.00 0.00 N ATOM 964 CA ASN A 78 9.023 4.579 -6.722 1.00 0.00 C ATOM 965 C ASN A 78 9.779 3.711 -7.721 1.00 0.00 C ATOM 966 O ASN A 78 10.989 3.857 -7.898 1.00 0.00 O ATOM 967 CB ASN A 78 9.969 5.048 -5.615 1.00 0.00 C ATOM 968 CG ASN A 78 9.398 6.203 -4.816 1.00 0.00 C ATOM 969 OD1 ASN A 78 9.314 6.143 -3.589 1.00 0.00 O ATOM 970 ND2 ASN A 78 9.000 7.263 -5.510 1.00 0.00 N ATOM 0 H ASN A 78 6.995 4.313 -6.252 1.00 0.00 H new ATOM 0 HA ASN A 78 8.632 5.451 -7.246 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.180 4.215 -4.944 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.919 5.350 -6.056 1.00 0.00 H new ATOM 0 HD21 ASN A 78 8.606 8.070 -5.027 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.088 7.270 -6.526 1.00 0.00 H new ATOM 977 N GLY A 79 9.056 2.804 -8.372 1.00 0.00 N ATOM 978 CA GLY A 79 9.669 1.920 -9.344 1.00 0.00 C ATOM 979 C GLY A 79 10.274 0.681 -8.710 1.00 0.00 C ATOM 980 O GLY A 79 11.017 -0.055 -9.360 1.00 0.00 O ATOM 0 H GLY A 79 8.054 2.666 -8.242 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.921 1.619 -10.078 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.445 2.463 -9.884 1.00 0.00 H new ATOM 984 N VAL A 80 9.960 0.447 -7.437 1.00 0.00 N ATOM 985 CA VAL A 80 10.483 -0.711 -6.724 1.00 0.00 C ATOM 986 C VAL A 80 9.398 -1.752 -6.480 1.00 0.00 C ATOM 987 O VAL A 80 8.398 -1.479 -5.816 1.00 0.00 O ATOM 988 CB VAL A 80 11.104 -0.309 -5.371 1.00 0.00 C ATOM 989 CG1 VAL A 80 11.540 -1.542 -4.587 1.00 0.00 C ATOM 990 CG2 VAL A 80 12.275 0.634 -5.584 1.00 0.00 C ATOM 0 H VAL A 80 9.347 1.044 -6.881 1.00 0.00 H new ATOM 0 HA VAL A 80 11.257 -1.142 -7.359 1.00 0.00 H new ATOM 0 HB VAL A 80 10.345 0.211 -4.787 1.00 0.00 H new ATOM 0 HG11 VAL A 80 11.975 -1.234 -3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.676 -2.179 -4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.282 -2.096 -5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.702 0.908 -4.619 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.035 0.140 -6.190 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.930 1.532 -6.096 1.00 0.00 H new ATOM 1000 N ASP A 81 9.614 -2.953 -7.003 1.00 0.00 N ATOM 1001 CA ASP A 81 8.667 -4.043 -6.825 1.00 0.00 C ATOM 1002 C ASP A 81 8.690 -4.525 -5.379 1.00 0.00 C ATOM 1003 O ASP A 81 9.710 -5.018 -4.896 1.00 0.00 O ATOM 1004 CB ASP A 81 8.998 -5.197 -7.773 1.00 0.00 C ATOM 1005 CG ASP A 81 7.920 -5.419 -8.813 1.00 0.00 C ATOM 1006 OD1 ASP A 81 7.252 -4.436 -9.196 1.00 0.00 O ATOM 1007 OD2 ASP A 81 7.742 -6.577 -9.246 1.00 0.00 O ATOM 0 H ASP A 81 10.438 -3.195 -7.554 1.00 0.00 H new ATOM 0 HA ASP A 81 7.667 -3.679 -7.059 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.945 -4.992 -8.273 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.134 -6.111 -7.195 1.00 0.00 H new ATOM 1012 N LEU A 82 7.562 -4.381 -4.692 1.00 0.00 N ATOM 1013 CA LEU A 82 7.459 -4.804 -3.301 1.00 0.00 C ATOM 1014 C LEU A 82 7.171 -6.300 -3.197 1.00 0.00 C ATOM 1015 O LEU A 82 6.724 -6.780 -2.155 1.00 0.00 O ATOM 1016 CB LEU A 82 6.361 -4.017 -2.586 1.00 0.00 C ATOM 1017 CG LEU A 82 6.326 -2.518 -2.892 1.00 0.00 C ATOM 1018 CD1 LEU A 82 4.889 -2.037 -3.033 1.00 0.00 C ATOM 1019 CD2 LEU A 82 7.047 -1.734 -1.806 1.00 0.00 C ATOM 0 H LEU A 82 6.708 -3.975 -5.075 1.00 0.00 H new ATOM 0 HA LEU A 82 8.417 -4.604 -2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.396 -4.448 -2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.484 -4.149 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 82 6.841 -2.348 -3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.883 -0.969 -3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.403 -2.576 -3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.351 -2.221 -2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.012 -0.670 -2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.561 -1.910 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.086 -2.059 -1.751 1.00 0.00 H new ATOM 1031 N ALA A 83 7.429 -7.034 -4.276 1.00 0.00 N ATOM 1032 CA ALA A 83 7.193 -8.472 -4.289 1.00 0.00 C ATOM 1033 C ALA A 83 8.392 -9.225 -3.724 1.00 0.00 C ATOM 1034 O ALA A 83 9.205 -9.769 -4.473 1.00 0.00 O ATOM 1035 CB ALA A 83 6.884 -8.946 -5.700 1.00 0.00 C ATOM 0 H ALA A 83 7.800 -6.658 -5.148 1.00 0.00 H new ATOM 0 HA ALA A 83 6.332 -8.681 -3.655 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.710 -10.022 -5.692 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.993 -8.437 -6.068 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.727 -8.719 -6.353 1.00 0.00 H new ATOM 1041 N GLY A 84 8.497 -9.251 -2.401 1.00 0.00 N ATOM 1042 CA GLY A 84 9.601 -9.937 -1.757 1.00 0.00 C ATOM 1043 C GLY A 84 10.234 -9.118 -0.646 1.00 0.00 C ATOM 1044 O GLY A 84 11.086 -9.616 0.090 1.00 0.00 O ATOM 0 H GLY A 84 7.836 -8.809 -1.762 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.246 -10.883 -1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.359 -10.176 -2.503 1.00 0.00 H new ATOM 1048 N LYS A 85 9.823 -7.858 -0.524 1.00 0.00 N ATOM 1049 CA LYS A 85 10.364 -6.977 0.504 1.00 0.00 C ATOM 1050 C LYS A 85 9.768 -7.304 1.878 1.00 0.00 C ATOM 1051 O LYS A 85 10.204 -8.248 2.535 1.00 0.00 O ATOM 1052 CB LYS A 85 10.104 -5.513 0.134 1.00 0.00 C ATOM 1053 CG LYS A 85 11.128 -4.941 -0.833 1.00 0.00 C ATOM 1054 CD LYS A 85 11.407 -3.478 -0.541 1.00 0.00 C ATOM 1055 CE LYS A 85 11.871 -2.738 -1.787 1.00 0.00 C ATOM 1056 NZ LYS A 85 12.830 -1.645 -1.464 1.00 0.00 N ATOM 0 H LYS A 85 9.119 -7.427 -1.123 1.00 0.00 H new ATOM 0 HA LYS A 85 11.441 -7.137 0.562 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.111 -5.429 -0.309 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.099 -4.912 1.043 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.055 -5.511 -0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.765 -5.047 -1.855 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.505 -3.006 -0.151 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.169 -3.400 0.235 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.342 -3.443 -2.472 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.007 -2.321 -2.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.690 -1.757 -2.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.392 -0.725 -1.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.078 -1.688 -0.455 1.00 0.00 H new ATOM 1070 N SER A 86 8.773 -6.525 2.309 1.00 0.00 N ATOM 1071 CA SER A 86 8.126 -6.739 3.602 1.00 0.00 C ATOM 1072 C SER A 86 7.262 -5.539 3.973 1.00 0.00 C ATOM 1073 O SER A 86 7.276 -4.517 3.287 1.00 0.00 O ATOM 1074 CB SER A 86 9.171 -6.984 4.697 1.00 0.00 C ATOM 1075 OG SER A 86 9.111 -8.319 5.168 1.00 0.00 O ATOM 0 H SER A 86 8.398 -5.739 1.778 1.00 0.00 H new ATOM 0 HA SER A 86 7.491 -7.621 3.519 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.167 -6.777 4.306 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.004 -6.295 5.525 1.00 0.00 H new ATOM 0 HG SER A 86 9.488 -8.921 4.493 1.00 0.00 H new ATOM 1081 N GLN A 87 6.520 -5.662 5.067 1.00 0.00 N ATOM 1082 CA GLN A 87 5.662 -4.578 5.529 1.00 0.00 C ATOM 1083 C GLN A 87 6.510 -3.419 6.018 1.00 0.00 C ATOM 1084 O GLN A 87 6.368 -2.289 5.554 1.00 0.00 O ATOM 1085 CB GLN A 87 4.738 -5.063 6.649 1.00 0.00 C ATOM 1086 CG GLN A 87 3.598 -4.107 6.953 1.00 0.00 C ATOM 1087 CD GLN A 87 2.701 -4.605 8.071 1.00 0.00 C ATOM 1088 OE1 GLN A 87 3.175 -5.171 9.055 1.00 0.00 O ATOM 1089 NE2 GLN A 87 1.400 -4.395 7.921 1.00 0.00 N ATOM 0 H GLN A 87 6.495 -6.499 5.649 1.00 0.00 H new ATOM 0 HA GLN A 87 5.046 -4.242 4.695 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.324 -6.033 6.373 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.326 -5.214 7.554 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.007 -3.135 7.227 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.002 -3.960 6.052 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.053 -3.921 7.087 1.00 0.00 H new ATOM 0 HE22 GLN A 87 0.747 -4.708 8.639 1.00 0.00 H new ATOM 1098 N GLU A 88 7.412 -3.717 6.941 1.00 0.00 N ATOM 1099 CA GLU A 88 8.310 -2.707 7.478 1.00 0.00 C ATOM 1100 C GLU A 88 9.225 -2.199 6.373 1.00 0.00 C ATOM 1101 O GLU A 88 9.647 -1.042 6.381 1.00 0.00 O ATOM 1102 CB GLU A 88 9.139 -3.284 8.628 1.00 0.00 C ATOM 1103 CG GLU A 88 9.305 -2.328 9.798 1.00 0.00 C ATOM 1104 CD GLU A 88 9.568 -3.048 11.106 1.00 0.00 C ATOM 1105 OE1 GLU A 88 10.359 -4.016 11.103 1.00 0.00 O ATOM 1106 OE2 GLU A 88 8.983 -2.646 12.134 1.00 0.00 O ATOM 0 H GLU A 88 7.541 -4.650 7.333 1.00 0.00 H new ATOM 0 HA GLU A 88 7.719 -1.877 7.865 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.666 -4.200 8.982 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.124 -3.559 8.252 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.129 -1.646 9.591 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.405 -1.720 9.896 1.00 0.00 H new ATOM 1113 N GLU A 89 9.517 -3.074 5.413 1.00 0.00 N ATOM 1114 CA GLU A 89 10.370 -2.715 4.289 1.00 0.00 C ATOM 1115 C GLU A 89 9.624 -1.796 3.330 1.00 0.00 C ATOM 1116 O GLU A 89 10.171 -0.807 2.846 1.00 0.00 O ATOM 1117 CB GLU A 89 10.841 -3.970 3.552 1.00 0.00 C ATOM 1118 CG GLU A 89 11.742 -4.865 4.390 1.00 0.00 C ATOM 1119 CD GLU A 89 13.123 -4.274 4.594 1.00 0.00 C ATOM 1120 OE1 GLU A 89 13.574 -3.502 3.721 1.00 0.00 O ATOM 1121 OE2 GLU A 89 13.754 -4.582 5.627 1.00 0.00 O ATOM 0 H GLU A 89 9.175 -4.035 5.393 1.00 0.00 H new ATOM 0 HA GLU A 89 11.243 -2.188 4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.970 -4.542 3.232 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.376 -3.673 2.650 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.277 -5.036 5.361 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.835 -5.837 3.905 1.00 0.00 H new ATOM 1128 N VAL A 90 8.363 -2.131 3.072 1.00 0.00 N ATOM 1129 CA VAL A 90 7.523 -1.340 2.181 1.00 0.00 C ATOM 1130 C VAL A 90 7.186 0.003 2.816 1.00 0.00 C ATOM 1131 O VAL A 90 7.223 1.043 2.160 1.00 0.00 O ATOM 1132 CB VAL A 90 6.219 -2.089 1.829 1.00 0.00 C ATOM 1133 CG1 VAL A 90 5.243 -1.175 1.099 1.00 0.00 C ATOM 1134 CG2 VAL A 90 6.525 -3.322 0.991 1.00 0.00 C ATOM 0 H VAL A 90 7.900 -2.948 3.470 1.00 0.00 H new ATOM 0 HA VAL A 90 8.085 -1.172 1.262 1.00 0.00 H new ATOM 0 HB VAL A 90 5.749 -2.408 2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.334 -1.728 0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.996 -0.325 1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.700 -0.818 0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.596 -3.839 0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.021 -3.021 0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.178 -3.991 1.552 1.00 0.00 H new ATOM 1144 N VAL A 91 6.869 -0.026 4.102 1.00 0.00 N ATOM 1145 CA VAL A 91 6.543 1.188 4.827 1.00 0.00 C ATOM 1146 C VAL A 91 7.788 2.052 4.979 1.00 0.00 C ATOM 1147 O VAL A 91 7.711 3.279 4.988 1.00 0.00 O ATOM 1148 CB VAL A 91 5.960 0.879 6.219 1.00 0.00 C ATOM 1149 CG1 VAL A 91 5.500 2.156 6.906 1.00 0.00 C ATOM 1150 CG2 VAL A 91 4.813 -0.116 6.109 1.00 0.00 C ATOM 0 H VAL A 91 6.831 -0.877 4.663 1.00 0.00 H new ATOM 0 HA VAL A 91 5.787 1.723 4.253 1.00 0.00 H new ATOM 0 HB VAL A 91 6.746 0.431 6.827 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.092 1.914 7.887 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.347 2.832 7.022 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.731 2.638 6.302 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.414 -0.322 7.102 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.026 0.303 5.482 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.176 -1.043 5.664 1.00 0.00 H new ATOM 1160 N SER A 92 8.938 1.393 5.083 1.00 0.00 N ATOM 1161 CA SER A 92 10.207 2.090 5.221 1.00 0.00 C ATOM 1162 C SER A 92 10.562 2.826 3.935 1.00 0.00 C ATOM 1163 O SER A 92 10.931 4.000 3.963 1.00 0.00 O ATOM 1164 CB SER A 92 11.319 1.104 5.584 1.00 0.00 C ATOM 1165 OG SER A 92 12.582 1.745 5.614 1.00 0.00 O ATOM 0 H SER A 92 9.015 0.376 5.074 1.00 0.00 H new ATOM 0 HA SER A 92 10.107 2.822 6.023 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.111 0.659 6.557 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.338 0.290 4.859 1.00 0.00 H new ATOM 0 HG SER A 92 13.274 1.093 5.850 1.00 0.00 H new ATOM 1171 N LEU A 93 10.453 2.129 2.808 1.00 0.00 N ATOM 1172 CA LEU A 93 10.771 2.732 1.515 1.00 0.00 C ATOM 1173 C LEU A 93 9.861 3.920 1.224 1.00 0.00 C ATOM 1174 O LEU A 93 10.308 4.934 0.690 1.00 0.00 O ATOM 1175 CB LEU A 93 10.697 1.712 0.376 1.00 0.00 C ATOM 1176 CG LEU A 93 9.520 0.756 0.428 1.00 0.00 C ATOM 1177 CD1 LEU A 93 8.338 1.317 -0.348 1.00 0.00 C ATOM 1178 CD2 LEU A 93 9.921 -0.611 -0.114 1.00 0.00 C ATOM 0 H LEU A 93 10.150 1.156 2.762 1.00 0.00 H new ATOM 0 HA LEU A 93 11.799 3.089 1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.662 2.252 -0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.617 1.128 0.375 1.00 0.00 H new ATOM 0 HG LEU A 93 9.217 0.638 1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 93 7.505 0.616 -0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.037 2.270 0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.624 1.467 -1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.066 -1.285 -0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.250 -0.510 -1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.734 -1.017 0.488 1.00 0.00 H new ATOM 1190 N LEU A 94 8.585 3.800 1.583 1.00 0.00 N ATOM 1191 CA LEU A 94 7.637 4.884 1.358 1.00 0.00 C ATOM 1192 C LEU A 94 7.810 5.967 2.420 1.00 0.00 C ATOM 1193 O LEU A 94 7.552 7.141 2.173 1.00 0.00 O ATOM 1194 CB LEU A 94 6.199 4.352 1.348 1.00 0.00 C ATOM 1195 CG LEU A 94 5.544 4.189 2.722 1.00 0.00 C ATOM 1196 CD1 LEU A 94 4.946 5.509 3.187 1.00 0.00 C ATOM 1197 CD2 LEU A 94 4.478 3.105 2.671 1.00 0.00 C ATOM 0 H LEU A 94 8.188 2.971 2.026 1.00 0.00 H new ATOM 0 HA LEU A 94 7.838 5.325 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.585 5.026 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.192 3.385 0.845 1.00 0.00 H new ATOM 0 HG LEU A 94 6.308 3.889 3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.485 5.375 4.165 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.733 6.260 3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.192 5.839 2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.020 2.999 3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.715 3.379 1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.935 2.159 2.379 1.00 0.00 H new ATOM 1209 N ARG A 95 8.260 5.560 3.602 1.00 0.00 N ATOM 1210 CA ARG A 95 8.489 6.495 4.695 1.00 0.00 C ATOM 1211 C ARG A 95 9.728 7.345 4.426 1.00 0.00 C ATOM 1212 O ARG A 95 9.819 8.490 4.871 1.00 0.00 O ATOM 1213 CB ARG A 95 8.649 5.747 6.020 1.00 0.00 C ATOM 1214 CG ARG A 95 7.341 5.560 6.772 1.00 0.00 C ATOM 1215 CD ARG A 95 7.581 5.085 8.196 1.00 0.00 C ATOM 1216 NE ARG A 95 8.164 3.747 8.236 1.00 0.00 N ATOM 1217 CZ ARG A 95 8.770 3.235 9.306 1.00 0.00 C ATOM 1218 NH1 ARG A 95 8.876 3.946 10.422 1.00 0.00 N ATOM 1219 NH2 ARG A 95 9.274 2.009 9.257 1.00 0.00 N ATOM 0 H ARG A 95 8.473 4.588 3.827 1.00 0.00 H new ATOM 0 HA ARG A 95 7.621 7.151 4.764 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.090 4.769 5.825 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.349 6.292 6.654 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.792 6.501 6.789 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.718 4.837 6.246 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.244 5.785 8.704 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.638 5.086 8.742 1.00 0.00 H new ATOM 0 HE ARG A 95 8.104 3.171 7.396 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.492 4.890 10.464 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.341 3.548 11.238 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.197 1.460 8.401 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.738 1.615 10.075 1.00 0.00 H new ATOM 1233 N SER A 96 10.686 6.769 3.703 1.00 0.00 N ATOM 1234 CA SER A 96 11.930 7.460 3.380 1.00 0.00 C ATOM 1235 C SER A 96 11.662 8.739 2.597 1.00 0.00 C ATOM 1236 O SER A 96 12.355 9.740 2.771 1.00 0.00 O ATOM 1237 CB SER A 96 12.854 6.544 2.577 1.00 0.00 C ATOM 1238 OG SER A 96 13.701 5.795 3.433 1.00 0.00 O ATOM 0 H SER A 96 10.623 5.822 3.329 1.00 0.00 H new ATOM 0 HA SER A 96 12.416 7.727 4.318 1.00 0.00 H new ATOM 0 HB2 SER A 96 12.258 5.866 1.966 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.458 7.141 1.894 1.00 0.00 H new ATOM 0 HG SER A 96 14.281 5.216 2.895 1.00 0.00 H new ATOM 1244 N THR A 97 10.652 8.700 1.735 1.00 0.00 N ATOM 1245 CA THR A 97 10.294 9.860 0.926 1.00 0.00 C ATOM 1246 C THR A 97 10.183 11.110 1.795 1.00 0.00 C ATOM 1247 O THR A 97 9.555 11.090 2.854 1.00 0.00 O ATOM 1248 CB THR A 97 8.977 9.612 0.187 1.00 0.00 C ATOM 1249 OG1 THR A 97 8.496 8.307 0.438 1.00 0.00 O ATOM 1250 CG2 THR A 97 9.087 9.769 -1.311 1.00 0.00 C ATOM 0 H THR A 97 10.067 7.879 1.578 1.00 0.00 H new ATOM 0 HA THR A 97 11.083 10.019 0.191 1.00 0.00 H new ATOM 0 HB THR A 97 8.293 10.370 0.569 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.197 8.242 1.369 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.116 9.579 -1.769 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.407 10.784 -1.548 1.00 0.00 H new ATOM 0 HG23 THR A 97 9.817 9.058 -1.699 1.00 0.00 H new ATOM 1258 N LYS A 98 10.801 12.193 1.343 1.00 0.00 N ATOM 1259 CA LYS A 98 10.781 13.453 2.079 1.00 0.00 C ATOM 1260 C LYS A 98 9.846 14.457 1.418 1.00 0.00 C ATOM 1261 O LYS A 98 9.434 14.275 0.273 1.00 0.00 O ATOM 1262 CB LYS A 98 12.191 14.033 2.169 1.00 0.00 C ATOM 1263 CG LYS A 98 12.864 14.188 0.819 1.00 0.00 C ATOM 1264 CD LYS A 98 13.959 13.152 0.614 1.00 0.00 C ATOM 1265 CE LYS A 98 15.154 13.740 -0.119 1.00 0.00 C ATOM 1266 NZ LYS A 98 15.734 12.775 -1.097 1.00 0.00 N ATOM 0 H LYS A 98 11.324 12.226 0.468 1.00 0.00 H new ATOM 0 HA LYS A 98 10.412 13.252 3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.145 15.006 2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.802 13.387 2.800 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.120 14.092 0.028 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.289 15.188 0.737 1.00 0.00 H new ATOM 0 HD2 LYS A 98 14.279 12.764 1.581 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.562 12.309 0.048 1.00 0.00 H new ATOM 0 HE2 LYS A 98 14.850 14.647 -0.641 1.00 0.00 H new ATOM 0 HE3 LYS A 98 15.918 14.028 0.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 16.546 13.213 -1.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 16.048 11.919 -0.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 15.013 12.519 -1.801 1.00 0.00 H new ATOM 1280 N MET A 99 9.512 15.520 2.148 1.00 0.00 N ATOM 1281 CA MET A 99 8.622 16.558 1.630 1.00 0.00 C ATOM 1282 C MET A 99 9.038 16.973 0.222 1.00 0.00 C ATOM 1283 O MET A 99 10.198 16.814 -0.161 1.00 0.00 O ATOM 1284 CB MET A 99 8.626 17.773 2.559 1.00 0.00 C ATOM 1285 CG MET A 99 7.696 17.633 3.752 1.00 0.00 C ATOM 1286 SD MET A 99 8.386 16.593 5.054 1.00 0.00 S ATOM 1287 CE MET A 99 6.892 15.998 5.841 1.00 0.00 C ATOM 0 H MET A 99 9.844 15.685 3.098 1.00 0.00 H new ATOM 0 HA MET A 99 7.612 16.151 1.586 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.641 17.941 2.919 1.00 0.00 H new ATOM 0 HB3 MET A 99 8.340 18.657 1.988 1.00 0.00 H new ATOM 0 HG2 MET A 99 7.481 18.622 4.158 1.00 0.00 H new ATOM 0 HG3 MET A 99 6.747 17.211 3.420 1.00 0.00 H new ATOM 0 HE1 MET A 99 7.115 15.096 6.411 1.00 0.00 H new ATOM 0 HE2 MET A 99 6.504 16.765 6.512 1.00 0.00 H new ATOM 0 HE3 MET A 99 6.146 15.770 5.080 1.00 0.00 H new ATOM 1297 N GLU A 100 8.089 17.492 -0.551 1.00 0.00 N ATOM 1298 CA GLU A 100 8.373 17.909 -1.920 1.00 0.00 C ATOM 1299 C GLU A 100 8.963 16.745 -2.710 1.00 0.00 C ATOM 1300 O GLU A 100 10.154 16.722 -3.012 1.00 0.00 O ATOM 1301 CB GLU A 100 9.337 19.097 -1.931 1.00 0.00 C ATOM 1302 CG GLU A 100 8.651 20.439 -1.738 1.00 0.00 C ATOM 1303 CD GLU A 100 9.418 21.583 -2.373 1.00 0.00 C ATOM 1304 OE1 GLU A 100 10.353 22.100 -1.726 1.00 0.00 O ATOM 1305 OE2 GLU A 100 9.085 21.960 -3.516 1.00 0.00 O ATOM 0 H GLU A 100 7.123 17.633 -0.256 1.00 0.00 H new ATOM 0 HA GLU A 100 7.439 18.218 -2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.078 18.960 -1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.877 19.107 -2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.650 20.396 -2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.534 20.633 -0.672 1.00 0.00 H new ATOM 1312 N GLY A 101 8.113 15.776 -3.027 1.00 0.00 N ATOM 1313 CA GLY A 101 8.548 14.609 -3.764 1.00 0.00 C ATOM 1314 C GLY A 101 7.404 13.649 -3.992 1.00 0.00 C ATOM 1315 O GLY A 101 6.926 13.002 -3.059 1.00 0.00 O ATOM 0 H GLY A 101 7.122 15.780 -2.784 1.00 0.00 H new ATOM 0 HA2 GLY A 101 8.965 14.916 -4.723 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.345 14.106 -3.216 1.00 0.00 H new ATOM 1319 N THR A 102 6.950 13.570 -5.232 1.00 0.00 N ATOM 1320 CA THR A 102 5.837 12.701 -5.582 1.00 0.00 C ATOM 1321 C THR A 102 6.235 11.231 -5.514 1.00 0.00 C ATOM 1322 O THR A 102 7.146 10.784 -6.209 1.00 0.00 O ATOM 1323 CB THR A 102 5.325 13.035 -6.984 1.00 0.00 C ATOM 1324 OG1 THR A 102 5.315 14.437 -7.192 1.00 0.00 O ATOM 1325 CG2 THR A 102 3.927 12.523 -7.249 1.00 0.00 C ATOM 0 H THR A 102 7.336 14.098 -6.015 1.00 0.00 H new ATOM 0 HA THR A 102 5.042 12.872 -4.856 1.00 0.00 H new ATOM 0 HB THR A 102 6.012 12.537 -7.669 1.00 0.00 H new ATOM 0 HG1 THR A 102 4.986 14.631 -8.095 1.00 0.00 H new ATOM 0 HG21 THR A 102 3.626 12.794 -8.261 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.911 11.438 -7.144 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.235 12.967 -6.533 1.00 0.00 H new ATOM 1333 N VAL A 103 5.526 10.487 -4.671 1.00 0.00 N ATOM 1334 CA VAL A 103 5.774 9.064 -4.499 1.00 0.00 C ATOM 1335 C VAL A 103 4.852 8.261 -5.408 1.00 0.00 C ATOM 1336 O VAL A 103 3.640 8.231 -5.201 1.00 0.00 O ATOM 1337 CB VAL A 103 5.544 8.627 -3.039 1.00 0.00 C ATOM 1338 CG1 VAL A 103 6.005 7.193 -2.823 1.00 0.00 C ATOM 1339 CG2 VAL A 103 6.245 9.572 -2.077 1.00 0.00 C ATOM 0 H VAL A 103 4.769 10.852 -4.093 1.00 0.00 H new ATOM 0 HA VAL A 103 6.815 8.875 -4.761 1.00 0.00 H new ATOM 0 HB VAL A 103 4.474 8.670 -2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 103 5.832 6.908 -1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 103 5.445 6.528 -3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.069 7.115 -3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.069 9.245 -1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.316 9.569 -2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.853 10.581 -2.208 1.00 0.00 H new ATOM 1349 N SER A 104 5.427 7.623 -6.419 1.00 0.00 N ATOM 1350 CA SER A 104 4.645 6.835 -7.364 1.00 0.00 C ATOM 1351 C SER A 104 4.400 5.431 -6.825 1.00 0.00 C ATOM 1352 O SER A 104 5.331 4.644 -6.672 1.00 0.00 O ATOM 1353 CB SER A 104 5.362 6.758 -8.713 1.00 0.00 C ATOM 1354 OG SER A 104 6.526 5.952 -8.626 1.00 0.00 O ATOM 0 H SER A 104 6.430 7.635 -6.606 1.00 0.00 H new ATOM 0 HA SER A 104 3.682 7.327 -7.501 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.687 6.348 -9.464 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.634 7.761 -9.042 1.00 0.00 H new ATOM 0 HG SER A 104 6.494 5.418 -7.805 1.00 0.00 H new ATOM 1360 N LEU A 105 3.141 5.125 -6.534 1.00 0.00 N ATOM 1361 CA LEU A 105 2.781 3.815 -6.008 1.00 0.00 C ATOM 1362 C LEU A 105 1.746 3.130 -6.890 1.00 0.00 C ATOM 1363 O LEU A 105 0.595 3.559 -6.962 1.00 0.00 O ATOM 1364 CB LEU A 105 2.238 3.943 -4.584 1.00 0.00 C ATOM 1365 CG LEU A 105 2.907 5.021 -3.728 1.00 0.00 C ATOM 1366 CD1 LEU A 105 2.000 6.234 -3.598 1.00 0.00 C ATOM 1367 CD2 LEU A 105 3.264 4.467 -2.357 1.00 0.00 C ATOM 0 H LEU A 105 2.355 5.764 -6.653 1.00 0.00 H new ATOM 0 HA LEU A 105 3.684 3.204 -5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.170 4.154 -4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.349 2.982 -4.082 1.00 0.00 H new ATOM 0 HG LEU A 105 3.828 5.333 -4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.491 6.991 -2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.796 6.643 -4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.063 5.939 -3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.739 5.247 -1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.358 4.128 -1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 105 3.951 3.629 -2.471 1.00 0.00 H new ATOM 1379 N LEU A 106 2.161 2.054 -7.545 1.00 0.00 N ATOM 1380 CA LEU A 106 1.266 1.295 -8.408 1.00 0.00 C ATOM 1381 C LEU A 106 0.418 0.350 -7.570 1.00 0.00 C ATOM 1382 O LEU A 106 0.938 -0.569 -6.939 1.00 0.00 O ATOM 1383 CB LEU A 106 2.064 0.508 -9.449 1.00 0.00 C ATOM 1384 CG LEU A 106 1.217 -0.286 -10.448 1.00 0.00 C ATOM 1385 CD1 LEU A 106 0.935 0.548 -11.688 1.00 0.00 C ATOM 1386 CD2 LEU A 106 1.916 -1.585 -10.823 1.00 0.00 C ATOM 0 H LEU A 106 3.111 1.687 -7.495 1.00 0.00 H new ATOM 0 HA LEU A 106 0.611 1.991 -8.932 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.695 1.203 -10.002 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.729 -0.182 -8.930 1.00 0.00 H new ATOM 0 HG LEU A 106 0.265 -0.532 -9.977 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.332 -0.032 -12.387 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.394 1.451 -11.404 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.877 0.824 -12.163 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.301 -2.137 -11.533 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.882 -1.361 -11.276 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.067 -2.189 -9.928 1.00 0.00 H new ATOM 1398 N VAL A 107 -0.889 0.583 -7.556 1.00 0.00 N ATOM 1399 CA VAL A 107 -1.798 -0.247 -6.780 1.00 0.00 C ATOM 1400 C VAL A 107 -2.588 -1.189 -7.683 1.00 0.00 C ATOM 1401 O VAL A 107 -2.575 -1.046 -8.904 1.00 0.00 O ATOM 1402 CB VAL A 107 -2.775 0.619 -5.955 1.00 0.00 C ATOM 1403 CG1 VAL A 107 -2.012 1.664 -5.156 1.00 0.00 C ATOM 1404 CG2 VAL A 107 -3.811 1.283 -6.854 1.00 0.00 C ATOM 0 H VAL A 107 -1.341 1.338 -8.072 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.190 -0.841 -6.097 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.303 -0.034 -5.260 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.715 2.266 -4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.318 1.168 -4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.456 2.308 -5.837 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.486 1.887 -6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.307 1.921 -7.580 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.382 0.517 -7.379 1.00 0.00 H new ATOM 1414 N PHE A 108 -3.275 -2.146 -7.074 1.00 0.00 N ATOM 1415 CA PHE A 108 -4.073 -3.105 -7.828 1.00 0.00 C ATOM 1416 C PHE A 108 -5.501 -3.148 -7.293 1.00 0.00 C ATOM 1417 O PHE A 108 -5.726 -3.452 -6.122 1.00 0.00 O ATOM 1418 CB PHE A 108 -3.441 -4.498 -7.757 1.00 0.00 C ATOM 1419 CG PHE A 108 -4.247 -5.566 -8.443 1.00 0.00 C ATOM 1420 CD1 PHE A 108 -4.584 -5.444 -9.781 1.00 0.00 C ATOM 1421 CD2 PHE A 108 -4.665 -6.689 -7.749 1.00 0.00 C ATOM 1422 CE1 PHE A 108 -5.326 -6.426 -10.413 1.00 0.00 C ATOM 1423 CE2 PHE A 108 -5.405 -7.672 -8.375 1.00 0.00 C ATOM 1424 CZ PHE A 108 -5.737 -7.540 -9.710 1.00 0.00 C ATOM 0 H PHE A 108 -3.296 -2.279 -6.063 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.100 -2.786 -8.870 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.449 -4.460 -8.206 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.307 -4.773 -6.711 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -4.265 -4.574 -10.336 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -4.409 -6.797 -6.705 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -5.584 -6.321 -11.457 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.724 -8.543 -7.822 1.00 0.00 H new ATOM 0 HZ PHE A 108 -6.317 -8.307 -10.202 1.00 0.00 H new ATOM 1434 N ARG A 109 -6.461 -2.838 -8.158 1.00 0.00 N ATOM 1435 CA ARG A 109 -7.866 -2.838 -7.770 1.00 0.00 C ATOM 1436 C ARG A 109 -8.568 -4.098 -8.263 1.00 0.00 C ATOM 1437 O ARG A 109 -8.454 -4.470 -9.431 1.00 0.00 O ATOM 1438 CB ARG A 109 -8.570 -1.597 -8.324 1.00 0.00 C ATOM 1439 CG ARG A 109 -9.573 -0.985 -7.359 1.00 0.00 C ATOM 1440 CD ARG A 109 -9.783 0.495 -7.638 1.00 0.00 C ATOM 1441 NE ARG A 109 -8.974 1.338 -6.762 1.00 0.00 N ATOM 1442 CZ ARG A 109 -8.724 2.625 -6.995 1.00 0.00 C ATOM 1443 NH1 ARG A 109 -9.218 3.218 -8.074 1.00 0.00 N ATOM 1444 NH2 ARG A 109 -7.979 3.320 -6.147 1.00 0.00 N ATOM 0 H ARG A 109 -6.292 -2.584 -9.131 1.00 0.00 H new ATOM 0 HA ARG A 109 -7.916 -2.820 -6.681 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -7.820 -0.848 -8.579 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -9.083 -1.863 -9.248 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -10.525 -1.510 -7.440 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -9.222 -1.117 -6.336 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -9.532 0.707 -8.677 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -10.836 0.742 -7.507 1.00 0.00 H new ATOM 0 HE ARG A 109 -8.577 0.916 -5.922 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -9.792 2.688 -8.730 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -9.024 4.204 -8.248 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -7.597 2.869 -5.316 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -7.788 4.306 -6.326 1.00 0.00 H new