USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 741 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 43 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 44 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00756) USER MOD Set 2.1: A 28 SER OG : rot 43:sc= 1.1 USER MOD Set 2.2: A 64 THR OG1 : rot 84:sc= 2.25 USER MOD Set 3.1: A 20 GLN : amide:sc= 0 X(o=0,f=0.063) USER MOD Set 3.2: A 53 SER OG : rot -140:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.595 K(o=-0.59,f=-3.8!) USER MOD Single : A 14 LYS NZ :NH3+ -122:sc= 1.18 (180deg=-0.468) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= -5.8! C(o=-6.4!,f=-5.8!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.5) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 136:sc= 0.458 USER MOD Single : A 45 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.477) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -169:sc= 1.02 USER MOD Single : A 57 MET CE :methyl 149:sc= -1.13 (180deg=-1.75) USER MOD Single : A 59 SER OG : rot -61:sc= 1.27 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.0495 K(o=-0.049,f=-1.3) USER MOD Single : A 77 LYS NZ :NH3+ 163:sc= 1.21 (180deg=1.2) USER MOD Single : A 82 SER OG : rot -73:sc= -2.34! USER MOD Single : A 83 SER OG : rot 25:sc= 1.2 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 20:sc= 0.669 USER MOD Single : A 96 HIS : no HE2:sc= -0.0641 K(o=-0.064,f=-1.4) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -130:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0258 USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 5 2.063 -10.447 3.535 1.00 0.00 N ATOM 61 CA LYS A 5 0.597 -10.498 3.361 1.00 0.00 C ATOM 62 C LYS A 5 -0.039 -9.224 3.891 1.00 0.00 C ATOM 63 O LYS A 5 0.661 -8.237 4.099 1.00 0.00 O ATOM 64 CB LYS A 5 -0.006 -11.784 3.952 1.00 0.00 C ATOM 65 CG LYS A 5 -0.122 -12.829 2.834 1.00 0.00 C ATOM 66 CD LYS A 5 -0.043 -14.262 3.352 1.00 0.00 C ATOM 67 CE LYS A 5 0.103 -15.130 2.106 1.00 0.00 C ATOM 68 NZ LYS A 5 0.069 -16.572 2.386 1.00 0.00 N ATOM 0 HA LYS A 5 0.369 -10.544 2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.623 -12.161 4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.987 -11.579 4.382 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.067 -12.689 2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.674 -12.666 2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.805 -14.392 4.024 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.938 -14.527 3.914 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.697 -14.885 1.407 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.044 -14.886 1.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.173 -17.101 1.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.848 -16.819 3.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.838 -16.818 2.831 1.00 0.00 H new ATOM 78 N LEU A 6 -1.367 -9.185 3.974 1.00 0.00 N ATOM 79 CA LEU A 6 -2.175 -8.097 4.464 1.00 0.00 C ATOM 80 C LEU A 6 -3.037 -8.589 5.638 1.00 0.00 C ATOM 81 O LEU A 6 -3.235 -9.798 5.796 1.00 0.00 O ATOM 82 CB LEU A 6 -3.026 -7.494 3.349 1.00 0.00 C ATOM 83 CG LEU A 6 -3.162 -8.285 2.044 1.00 0.00 C ATOM 84 CD1 LEU A 6 -1.899 -8.277 1.166 1.00 0.00 C ATOM 85 CD2 LEU A 6 -3.727 -9.682 2.281 1.00 0.00 C ATOM 0 H LEU A 6 -1.937 -9.976 3.676 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.523 -7.301 4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.028 -7.328 3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.613 -6.515 3.105 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.899 -7.746 1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.080 -8.859 0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.652 -7.251 0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.068 -8.715 1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.807 -10.208 1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.064 -10.234 2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.714 -9.603 2.736 1.00 0.00 H new ATOM 96 N ASP A 7 -3.614 -7.673 6.423 1.00 0.00 N ATOM 97 CA ASP A 7 -4.467 -7.991 7.573 1.00 0.00 C ATOM 98 C ASP A 7 -5.928 -7.706 7.229 1.00 0.00 C ATOM 99 O ASP A 7 -6.761 -8.605 7.329 1.00 0.00 O ATOM 100 CB ASP A 7 -4.030 -7.170 8.805 1.00 0.00 C ATOM 101 CG ASP A 7 -3.537 -7.978 10.014 1.00 0.00 C ATOM 102 OD1 ASP A 7 -3.667 -9.222 10.059 1.00 0.00 O ATOM 103 OD2 ASP A 7 -2.993 -7.345 10.951 1.00 0.00 O ATOM 0 H ASP A 7 -3.499 -6.671 6.274 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.363 -9.049 7.812 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.235 -6.490 8.500 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.871 -6.555 9.123 1.00 0.00 H new ATOM 107 N ILE A 8 -6.185 -6.474 6.770 1.00 0.00 N ATOM 108 CA ILE A 8 -7.420 -5.857 6.278 1.00 0.00 C ATOM 109 C ILE A 8 -8.502 -5.648 7.353 1.00 0.00 C ATOM 110 O ILE A 8 -8.929 -6.573 8.045 1.00 0.00 O ATOM 111 CB ILE A 8 -7.924 -6.553 5.000 1.00 0.00 C ATOM 112 CG1 ILE A 8 -6.891 -6.391 3.870 1.00 0.00 C ATOM 113 CG2 ILE A 8 -9.256 -5.934 4.532 1.00 0.00 C ATOM 114 CD1 ILE A 8 -7.125 -7.317 2.674 1.00 0.00 C ATOM 0 H ILE A 8 -5.424 -5.796 6.731 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.161 -4.837 5.995 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.072 -7.608 5.229 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.905 -5.357 3.524 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.895 -6.579 4.272 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.595 -6.440 3.628 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.006 -6.049 5.315 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.111 -4.874 4.322 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.356 -7.142 1.922 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.080 -8.355 3.003 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.106 -7.115 2.244 1.00 0.00 H new ATOM 125 N VAL A 9 -8.964 -4.398 7.449 1.00 0.00 N ATOM 126 CA VAL A 9 -9.997 -3.908 8.355 1.00 0.00 C ATOM 127 C VAL A 9 -10.821 -2.854 7.615 1.00 0.00 C ATOM 128 O VAL A 9 -10.391 -1.713 7.459 1.00 0.00 O ATOM 129 CB VAL A 9 -9.360 -3.383 9.664 1.00 0.00 C ATOM 130 CG1 VAL A 9 -10.423 -2.876 10.647 1.00 0.00 C ATOM 131 CG2 VAL A 9 -8.484 -4.441 10.348 1.00 0.00 C ATOM 0 H VAL A 9 -8.599 -3.654 6.854 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.670 -4.711 8.655 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.722 -2.548 9.376 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.938 -2.516 11.554 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.984 -2.062 10.188 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.103 -3.690 10.899 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.059 -4.026 11.262 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.091 -5.313 10.593 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.679 -4.737 9.675 1.00 0.00 H new ATOM 141 N GLU A 10 -11.994 -3.216 7.104 1.00 0.00 N ATOM 142 CA GLU A 10 -12.921 -2.250 6.533 1.00 0.00 C ATOM 143 C GLU A 10 -13.520 -1.411 7.660 1.00 0.00 C ATOM 144 O GLU A 10 -14.419 -1.858 8.378 1.00 0.00 O ATOM 145 CB GLU A 10 -13.988 -2.923 5.665 1.00 0.00 C ATOM 146 CG GLU A 10 -13.447 -3.283 4.267 1.00 0.00 C ATOM 147 CD GLU A 10 -14.556 -3.301 3.212 1.00 0.00 C ATOM 148 OE1 GLU A 10 -15.335 -2.320 3.165 1.00 0.00 O ATOM 149 OE2 GLU A 10 -14.657 -4.265 2.426 1.00 0.00 O ATOM 0 H GLU A 10 -12.325 -4.180 7.075 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.380 -1.587 5.858 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.343 -3.826 6.161 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.845 -2.258 5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.682 -2.562 3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.966 -4.260 4.305 1.00 0.00 H new ATOM 154 N GLN A 11 -12.997 -0.191 7.815 1.00 0.00 N ATOM 155 CA GLN A 11 -13.365 0.744 8.855 1.00 0.00 C ATOM 156 C GLN A 11 -14.679 1.434 8.450 1.00 0.00 C ATOM 157 O GLN A 11 -15.456 0.876 7.668 1.00 0.00 O ATOM 158 CB GLN A 11 -12.197 1.717 9.100 1.00 0.00 C ATOM 159 CG GLN A 11 -12.060 2.200 10.551 1.00 0.00 C ATOM 160 CD GLN A 11 -11.604 1.154 11.574 1.00 0.00 C ATOM 161 OE1 GLN A 11 -12.166 0.072 11.681 1.00 0.00 O ATOM 162 NE2 GLN A 11 -10.611 1.464 12.394 1.00 0.00 N ATOM 0 H GLN A 11 -12.279 0.176 7.190 1.00 0.00 H new ATOM 0 HA GLN A 11 -13.548 0.243 9.806 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.268 1.230 8.804 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.323 2.585 8.453 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.352 3.029 10.570 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -13.023 2.596 10.872 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.141 2.365 12.308 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.317 0.802 13.112 1.00 0.00 H new ATOM 169 N ASP A 12 -14.988 2.617 8.990 1.00 0.00 N ATOM 170 CA ASP A 12 -16.265 3.269 8.701 1.00 0.00 C ATOM 171 C ASP A 12 -16.341 3.689 7.242 1.00 0.00 C ATOM 172 O ASP A 12 -17.290 3.337 6.546 1.00 0.00 O ATOM 173 CB ASP A 12 -16.512 4.493 9.577 1.00 0.00 C ATOM 174 CG ASP A 12 -17.962 4.958 9.442 1.00 0.00 C ATOM 175 OD1 ASP A 12 -18.892 4.119 9.485 1.00 0.00 O ATOM 176 OD2 ASP A 12 -18.190 6.181 9.329 1.00 0.00 O ATOM 0 H ASP A 12 -14.378 3.136 9.622 1.00 0.00 H new ATOM 0 HA ASP A 12 -17.036 2.531 8.920 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -16.295 4.253 10.618 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -15.836 5.298 9.288 1.00 0.00 H new ATOM 180 N ASP A 13 -15.308 4.400 6.770 1.00 0.00 N ATOM 181 CA ASP A 13 -15.260 4.885 5.388 1.00 0.00 C ATOM 182 C ASP A 13 -13.879 4.730 4.737 1.00 0.00 C ATOM 183 O ASP A 13 -13.683 5.028 3.553 1.00 0.00 O ATOM 184 CB ASP A 13 -15.742 6.331 5.294 1.00 0.00 C ATOM 185 CG ASP A 13 -16.059 6.732 3.851 1.00 0.00 C ATOM 186 OD1 ASP A 13 -16.734 5.964 3.137 1.00 0.00 O ATOM 187 OD2 ASP A 13 -15.619 7.837 3.447 1.00 0.00 O ATOM 0 H ASP A 13 -14.493 4.652 7.329 1.00 0.00 H new ATOM 0 HA ASP A 13 -15.941 4.249 4.823 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -16.632 6.458 5.910 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -14.978 6.996 5.696 1.00 0.00 H new ATOM 191 N LYS A 14 -12.885 4.254 5.490 1.00 0.00 N ATOM 192 CA LYS A 14 -11.593 3.865 4.956 1.00 0.00 C ATOM 193 C LYS A 14 -11.499 2.357 5.051 1.00 0.00 C ATOM 194 O LYS A 14 -12.032 1.776 5.994 1.00 0.00 O ATOM 195 CB LYS A 14 -10.463 4.609 5.687 1.00 0.00 C ATOM 196 CG LYS A 14 -10.319 4.270 7.179 1.00 0.00 C ATOM 197 CD LYS A 14 -9.074 4.913 7.800 1.00 0.00 C ATOM 198 CE LYS A 14 -9.258 6.428 7.915 1.00 0.00 C ATOM 199 NZ LYS A 14 -8.025 7.156 8.288 1.00 0.00 N ATOM 0 H LYS A 14 -12.963 4.129 6.499 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.485 4.147 3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.520 4.387 5.187 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.632 5.681 5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.206 4.608 7.714 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.267 3.188 7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.890 4.487 8.786 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.199 4.692 7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.621 6.813 6.962 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.029 6.635 8.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.190 7.691 9.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.252 6.476 8.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.765 7.813 7.525 1.00 0.00 H new ATOM 209 N ALA A 15 -10.872 1.710 4.077 1.00 0.00 N ATOM 210 CA ALA A 15 -10.545 0.307 4.225 1.00 0.00 C ATOM 211 C ALA A 15 -9.084 0.249 4.642 1.00 0.00 C ATOM 212 O ALA A 15 -8.201 0.602 3.855 1.00 0.00 O ATOM 213 CB ALA A 15 -10.866 -0.443 2.944 1.00 0.00 C ATOM 0 H ALA A 15 -10.586 2.129 3.192 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.142 -0.191 4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.616 -1.497 3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.929 -0.346 2.722 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.284 -0.026 2.122 1.00 0.00 H new ATOM 219 N ILE A 16 -8.838 -0.104 5.904 1.00 0.00 N ATOM 220 CA ILE A 16 -7.494 -0.154 6.457 1.00 0.00 C ATOM 221 C ILE A 16 -6.854 -1.441 5.945 1.00 0.00 C ATOM 222 O ILE A 16 -7.097 -2.534 6.461 1.00 0.00 O ATOM 223 CB ILE A 16 -7.563 -0.077 7.992 1.00 0.00 C ATOM 224 CG1 ILE A 16 -8.152 1.261 8.462 1.00 0.00 C ATOM 225 CG2 ILE A 16 -6.196 -0.345 8.629 1.00 0.00 C ATOM 226 CD1 ILE A 16 -8.675 1.157 9.891 1.00 0.00 C ATOM 0 H ILE A 16 -9.568 -0.362 6.568 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.882 0.691 6.143 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.238 -0.864 8.328 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.389 2.038 8.406 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.961 1.560 7.796 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.282 -0.283 9.714 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.853 -1.341 8.349 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.479 0.398 8.278 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.087 2.118 10.199 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.454 0.397 9.939 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.858 0.882 10.558 1.00 0.00 H new ATOM 237 N VAL A 17 -6.052 -1.338 4.898 1.00 0.00 N ATOM 238 CA VAL A 17 -5.287 -2.452 4.368 1.00 0.00 C ATOM 239 C VAL A 17 -3.932 -2.450 5.054 1.00 0.00 C ATOM 240 O VAL A 17 -2.939 -1.924 4.560 1.00 0.00 O ATOM 241 CB VAL A 17 -5.195 -2.363 2.840 1.00 0.00 C ATOM 242 CG1 VAL A 17 -4.518 -3.638 2.331 1.00 0.00 C ATOM 243 CG2 VAL A 17 -6.585 -2.286 2.204 1.00 0.00 C ATOM 0 H VAL A 17 -5.913 -0.467 4.386 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.776 -3.404 4.575 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.634 -1.467 2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.440 -3.600 1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.521 -3.718 2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.110 -4.506 2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.486 -2.224 1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.155 -3.178 2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.105 -1.402 2.572 1.00 0.00 H new ATOM 253 N ARG A 18 -3.870 -3.057 6.229 1.00 0.00 N ATOM 254 CA ARG A 18 -2.571 -3.169 6.884 1.00 0.00 C ATOM 255 C ARG A 18 -1.746 -4.162 6.086 1.00 0.00 C ATOM 256 O ARG A 18 -2.250 -5.260 5.837 1.00 0.00 O ATOM 257 CB ARG A 18 -2.595 -3.557 8.365 1.00 0.00 C ATOM 258 CG ARG A 18 -3.870 -3.120 9.074 1.00 0.00 C ATOM 259 CD ARG A 18 -3.712 -3.072 10.581 1.00 0.00 C ATOM 260 NE ARG A 18 -3.171 -4.297 11.183 1.00 0.00 N ATOM 261 CZ ARG A 18 -2.310 -4.319 12.205 1.00 0.00 C ATOM 262 NH1 ARG A 18 -1.851 -3.205 12.771 1.00 0.00 N ATOM 263 NH2 ARG A 18 -1.924 -5.499 12.651 1.00 0.00 N ATOM 0 H ARG A 18 -4.660 -3.462 6.731 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.135 -2.170 6.893 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.489 -4.638 8.453 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.736 -3.111 8.866 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.163 -2.135 8.712 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.677 -3.807 8.819 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.058 -2.239 10.837 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.684 -2.863 11.028 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.472 -5.191 10.795 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.156 -2.295 12.426 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.194 -3.262 13.550 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.282 -6.350 12.217 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.268 -5.560 13.429 1.00 0.00 H new ATOM 274 N VAL A 19 -0.535 -3.809 5.676 1.00 0.00 N ATOM 275 CA VAL A 19 0.380 -4.730 5.017 1.00 0.00 C ATOM 276 C VAL A 19 1.225 -5.399 6.110 1.00 0.00 C ATOM 277 O VAL A 19 1.326 -4.880 7.226 1.00 0.00 O ATOM 278 CB VAL A 19 1.219 -3.909 4.016 1.00 0.00 C ATOM 279 CG1 VAL A 19 2.257 -4.728 3.242 1.00 0.00 C ATOM 280 CG2 VAL A 19 0.330 -3.203 2.984 1.00 0.00 C ATOM 0 H VAL A 19 -0.158 -2.869 5.792 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.124 -5.519 4.459 1.00 0.00 H new ATOM 0 HB VAL A 19 1.747 -3.190 4.643 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.802 -4.074 2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.955 -5.186 3.943 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.753 -5.508 2.671 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.954 -2.634 2.295 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.241 -3.946 2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.355 -2.527 3.496 1.00 0.00 H new ATOM 290 N GLN A 20 1.876 -6.516 5.800 1.00 0.00 N ATOM 291 CA GLN A 20 2.967 -7.112 6.551 1.00 0.00 C ATOM 292 C GLN A 20 4.137 -7.405 5.616 1.00 0.00 C ATOM 293 O GLN A 20 3.951 -7.504 4.405 1.00 0.00 O ATOM 294 CB GLN A 20 2.487 -8.401 7.234 1.00 0.00 C ATOM 295 CG GLN A 20 1.463 -8.076 8.342 1.00 0.00 C ATOM 296 CD GLN A 20 1.846 -8.649 9.698 1.00 0.00 C ATOM 297 OE1 GLN A 20 2.003 -9.854 9.859 1.00 0.00 O ATOM 298 NE2 GLN A 20 2.006 -7.813 10.709 1.00 0.00 N ATOM 0 H GLN A 20 1.640 -7.058 4.969 1.00 0.00 H new ATOM 0 HA GLN A 20 3.300 -6.415 7.320 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.035 -9.064 6.496 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.338 -8.932 7.661 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.361 -6.994 8.428 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.487 -8.466 8.052 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.874 -6.811 10.568 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.262 -8.169 11.630 1.00 0.00 H new ATOM 305 N GLY A 21 5.323 -7.602 6.190 1.00 0.00 N ATOM 306 CA GLY A 21 6.502 -8.088 5.497 1.00 0.00 C ATOM 307 C GLY A 21 7.235 -6.974 4.768 1.00 0.00 C ATOM 308 O GLY A 21 6.644 -5.995 4.319 1.00 0.00 O ATOM 0 H GLY A 21 5.489 -7.421 7.180 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.176 -8.557 6.214 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.211 -8.858 4.783 1.00 0.00 H new ATOM 312 N ASP A 22 8.537 -7.153 4.609 1.00 0.00 N ATOM 313 CA ASP A 22 9.348 -6.470 3.614 1.00 0.00 C ATOM 314 C ASP A 22 8.732 -6.670 2.228 1.00 0.00 C ATOM 315 O ASP A 22 8.432 -7.793 1.825 1.00 0.00 O ATOM 316 CB ASP A 22 10.795 -6.972 3.674 1.00 0.00 C ATOM 317 CG ASP A 22 10.984 -8.485 3.489 1.00 0.00 C ATOM 318 OD1 ASP A 22 10.204 -9.296 4.050 1.00 0.00 O ATOM 319 OD2 ASP A 22 12.013 -8.875 2.895 1.00 0.00 O ATOM 0 H ASP A 22 9.075 -7.798 5.187 1.00 0.00 H new ATOM 0 HA ASP A 22 9.367 -5.401 3.824 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.371 -6.456 2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.219 -6.687 4.637 1.00 0.00 H new ATOM 323 N ILE A 23 8.466 -5.558 1.544 1.00 0.00 N ATOM 324 CA ILE A 23 7.814 -5.507 0.255 1.00 0.00 C ATOM 325 C ILE A 23 8.821 -5.939 -0.808 1.00 0.00 C ATOM 326 O ILE A 23 9.790 -5.233 -1.079 1.00 0.00 O ATOM 327 CB ILE A 23 7.162 -4.117 0.023 1.00 0.00 C ATOM 328 CG1 ILE A 23 6.531 -3.955 -1.379 1.00 0.00 C ATOM 329 CG2 ILE A 23 8.099 -2.922 0.160 1.00 0.00 C ATOM 330 CD1 ILE A 23 5.062 -3.557 -1.278 1.00 0.00 C ATOM 0 H ILE A 23 8.713 -4.633 1.896 1.00 0.00 H new ATOM 0 HA ILE A 23 6.978 -6.205 0.199 1.00 0.00 H new ATOM 0 HB ILE A 23 6.416 -4.109 0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.078 -3.199 -1.942 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.620 -4.890 -1.932 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.544 -2.002 -0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.517 -2.901 1.166 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.907 -3.008 -0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.644 -3.450 -2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.513 -4.327 -0.736 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.978 -2.609 -0.747 1.00 0.00 H new ATOM 341 N ASP A 24 8.603 -7.081 -1.449 1.00 0.00 N ATOM 342 CA ASP A 24 9.607 -7.735 -2.280 1.00 0.00 C ATOM 343 C ASP A 24 9.023 -8.308 -3.568 1.00 0.00 C ATOM 344 O ASP A 24 7.814 -8.269 -3.820 1.00 0.00 O ATOM 345 CB ASP A 24 10.303 -8.839 -1.479 1.00 0.00 C ATOM 346 CG ASP A 24 9.362 -9.881 -0.875 1.00 0.00 C ATOM 347 OD1 ASP A 24 8.235 -10.014 -1.396 1.00 0.00 O ATOM 348 OD2 ASP A 24 9.786 -10.566 0.089 1.00 0.00 O ATOM 0 H ASP A 24 7.717 -7.584 -1.406 1.00 0.00 H new ATOM 0 HA ASP A 24 10.331 -6.974 -2.572 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.015 -9.347 -2.129 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.877 -8.379 -0.675 1.00 0.00 H new ATOM 352 N ALA A 25 9.904 -8.852 -4.408 1.00 0.00 N ATOM 353 CA ALA A 25 9.560 -9.516 -5.653 1.00 0.00 C ATOM 354 C ALA A 25 8.587 -10.688 -5.451 1.00 0.00 C ATOM 355 O ALA A 25 7.904 -11.059 -6.409 1.00 0.00 O ATOM 356 CB ALA A 25 10.854 -10.001 -6.311 1.00 0.00 C ATOM 0 H ALA A 25 10.908 -8.839 -4.229 1.00 0.00 H new ATOM 0 HA ALA A 25 9.044 -8.801 -6.295 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.619 -10.504 -7.249 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.503 -9.148 -6.509 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.363 -10.697 -5.644 1.00 0.00 H new ATOM 362 N TYR A 26 8.505 -11.254 -4.241 1.00 0.00 N ATOM 363 CA TYR A 26 7.628 -12.365 -3.912 1.00 0.00 C ATOM 364 C TYR A 26 6.199 -11.833 -3.816 1.00 0.00 C ATOM 365 O TYR A 26 5.258 -12.509 -4.231 1.00 0.00 O ATOM 366 CB TYR A 26 7.995 -13.024 -2.568 1.00 0.00 C ATOM 367 CG TYR A 26 9.385 -13.614 -2.339 1.00 0.00 C ATOM 368 CD1 TYR A 26 10.581 -13.009 -2.787 1.00 0.00 C ATOM 369 CD2 TYR A 26 9.480 -14.768 -1.541 1.00 0.00 C ATOM 370 CE1 TYR A 26 11.834 -13.538 -2.448 1.00 0.00 C ATOM 371 CE2 TYR A 26 10.727 -15.296 -1.180 1.00 0.00 C ATOM 372 CZ TYR A 26 11.905 -14.670 -1.618 1.00 0.00 C ATOM 373 OH TYR A 26 13.104 -15.156 -1.223 1.00 0.00 O ATOM 0 H TYR A 26 9.064 -10.938 -3.449 1.00 0.00 H new ATOM 0 HA TYR A 26 7.731 -13.119 -4.692 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.832 -12.278 -1.791 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.275 -13.825 -2.397 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.529 -12.123 -3.402 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.578 -15.255 -1.201 1.00 0.00 H new ATOM 0 HE1 TYR A 26 12.738 -13.079 -2.822 1.00 0.00 H new ATOM 0 HE2 TYR A 26 10.782 -16.183 -0.566 1.00 0.00 H new ATOM 0 HH TYR A 26 12.967 -15.941 -0.652 1.00 0.00 H new ATOM 382 N ASN A 27 6.016 -10.606 -3.310 1.00 0.00 N ATOM 383 CA ASN A 27 4.706 -9.998 -3.169 1.00 0.00 C ATOM 384 C ASN A 27 4.276 -9.338 -4.445 1.00 0.00 C ATOM 385 O ASN A 27 3.103 -8.991 -4.576 1.00 0.00 O ATOM 386 CB ASN A 27 4.660 -9.020 -2.001 1.00 0.00 C ATOM 387 CG ASN A 27 4.904 -7.527 -2.223 1.00 0.00 C ATOM 388 OD1 ASN A 27 5.220 -6.856 -1.141 1.00 0.00 O flip ATOM 389 ND2 ASN A 27 4.758 -6.924 -3.282 1.00 0.00 N flip ATOM 0 H ASN A 27 6.781 -10.013 -2.989 1.00 0.00 H new ATOM 0 HA ASN A 27 3.999 -10.798 -2.950 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.678 -9.119 -1.538 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.393 -9.360 -1.269 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.512 -7.435 -4.130 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.882 -5.912 -3.314 1.00 0.00 H new ATOM 395 N SER A 28 5.216 -9.180 -5.377 1.00 0.00 N ATOM 396 CA SER A 28 4.942 -8.449 -6.596 1.00 0.00 C ATOM 397 C SER A 28 3.808 -9.086 -7.434 1.00 0.00 C ATOM 398 O SER A 28 3.353 -8.495 -8.418 1.00 0.00 O ATOM 399 CB SER A 28 6.226 -8.223 -7.396 1.00 0.00 C ATOM 400 OG SER A 28 6.061 -7.137 -8.292 1.00 0.00 O ATOM 0 H SER A 28 6.164 -9.548 -5.305 1.00 0.00 H new ATOM 0 HA SER A 28 4.564 -7.467 -6.312 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.055 -8.021 -6.717 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.481 -9.126 -7.951 1.00 0.00 H new ATOM 0 HG SER A 28 5.598 -6.404 -7.835 1.00 0.00 H new ATOM 405 N SER A 29 3.306 -10.267 -7.053 1.00 0.00 N ATOM 406 CA SER A 29 1.994 -10.750 -7.465 1.00 0.00 C ATOM 407 C SER A 29 1.068 -11.000 -6.276 1.00 0.00 C ATOM 408 O SER A 29 -0.132 -10.769 -6.408 1.00 0.00 O ATOM 409 CB SER A 29 2.099 -11.973 -8.381 1.00 0.00 C ATOM 410 OG SER A 29 3.437 -12.428 -8.562 1.00 0.00 O ATOM 0 H SER A 29 3.807 -10.915 -6.445 1.00 0.00 H new ATOM 0 HA SER A 29 1.536 -9.953 -8.050 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.500 -12.783 -7.964 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.671 -11.728 -9.353 1.00 0.00 H new ATOM 0 HG SER A 29 3.440 -13.210 -9.153 1.00 0.00 H new ATOM 415 N GLU A 30 1.605 -11.423 -5.126 1.00 0.00 N ATOM 416 CA GLU A 30 0.789 -11.785 -3.975 1.00 0.00 C ATOM 417 C GLU A 30 -0.015 -10.574 -3.485 1.00 0.00 C ATOM 418 O GLU A 30 -1.246 -10.584 -3.537 1.00 0.00 O ATOM 419 CB GLU A 30 1.663 -12.410 -2.874 1.00 0.00 C ATOM 420 CG GLU A 30 0.783 -13.177 -1.872 1.00 0.00 C ATOM 421 CD GLU A 30 1.410 -14.452 -1.306 1.00 0.00 C ATOM 422 OE1 GLU A 30 2.641 -14.630 -1.377 1.00 0.00 O ATOM 423 OE2 GLU A 30 0.645 -15.297 -0.779 1.00 0.00 O ATOM 0 H GLU A 30 2.609 -11.521 -4.973 1.00 0.00 H new ATOM 0 HA GLU A 30 0.064 -12.544 -4.269 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.394 -13.085 -3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.222 -11.631 -2.356 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.537 -12.512 -1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.156 -13.438 -2.361 1.00 0.00 H new ATOM 428 N LEU A 31 0.685 -9.509 -3.083 1.00 0.00 N ATOM 429 CA LEU A 31 0.146 -8.198 -2.754 1.00 0.00 C ATOM 430 C LEU A 31 -0.678 -7.633 -3.895 1.00 0.00 C ATOM 431 O LEU A 31 -1.797 -7.183 -3.668 1.00 0.00 O ATOM 432 CB LEU A 31 1.331 -7.264 -2.450 1.00 0.00 C ATOM 433 CG LEU A 31 0.913 -5.870 -1.983 1.00 0.00 C ATOM 434 CD1 LEU A 31 0.301 -5.974 -0.594 1.00 0.00 C ATOM 435 CD2 LEU A 31 2.129 -4.958 -1.931 1.00 0.00 C ATOM 0 H LEU A 31 1.698 -9.547 -2.974 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.514 -8.285 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.955 -7.722 -1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.945 -7.168 -3.345 1.00 0.00 H new ATOM 0 HG LEU A 31 0.184 -5.456 -2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.000 -4.983 -0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.572 -6.626 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.035 -6.387 0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.826 -3.966 -1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.861 -5.367 -1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.573 -4.887 -2.924 1.00 0.00 H new ATOM 446 N LYS A 32 -0.129 -7.652 -5.113 1.00 0.00 N ATOM 447 CA LYS A 32 -0.814 -7.121 -6.285 1.00 0.00 C ATOM 448 C LYS A 32 -2.225 -7.704 -6.414 1.00 0.00 C ATOM 449 O LYS A 32 -3.140 -6.940 -6.716 1.00 0.00 O ATOM 450 CB LYS A 32 0.067 -7.352 -7.535 1.00 0.00 C ATOM 451 CG LYS A 32 -0.149 -6.222 -8.560 1.00 0.00 C ATOM 452 CD LYS A 32 0.918 -6.169 -9.667 1.00 0.00 C ATOM 453 CE LYS A 32 0.528 -7.011 -10.886 1.00 0.00 C ATOM 454 NZ LYS A 32 1.579 -7.009 -11.928 1.00 0.00 N ATOM 0 H LYS A 32 0.796 -8.034 -5.309 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.957 -6.046 -6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.117 -7.393 -7.245 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.177 -8.313 -7.987 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.129 -6.345 -9.020 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.161 -5.267 -8.035 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.069 -5.134 -9.975 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.869 -6.525 -9.270 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.334 -8.036 -10.570 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.400 -6.627 -11.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.271 -7.591 -12.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.747 -6.034 -12.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.459 -7.400 -11.535 1.00 0.00 H new ATOM 464 N GLU A 33 -2.415 -8.998 -6.136 1.00 0.00 N ATOM 465 CA GLU A 33 -3.703 -9.683 -6.193 1.00 0.00 C ATOM 466 C GLU A 33 -4.575 -9.259 -5.024 1.00 0.00 C ATOM 467 O GLU A 33 -5.687 -8.778 -5.234 1.00 0.00 O ATOM 468 CB GLU A 33 -3.477 -11.193 -6.155 1.00 0.00 C ATOM 469 CG GLU A 33 -3.197 -11.729 -7.553 1.00 0.00 C ATOM 470 CD GLU A 33 -2.546 -13.113 -7.552 1.00 0.00 C ATOM 471 OE1 GLU A 33 -2.469 -13.794 -6.500 1.00 0.00 O ATOM 472 OE2 GLU A 33 -2.068 -13.521 -8.634 1.00 0.00 O ATOM 0 H GLU A 33 -1.651 -9.613 -5.857 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.210 -9.416 -7.120 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.640 -11.424 -5.497 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.355 -11.687 -5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.132 -11.776 -8.111 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.547 -11.030 -8.079 1.00 0.00 H new ATOM 477 N GLN A 34 -4.038 -9.375 -3.804 1.00 0.00 N ATOM 478 CA GLN A 34 -4.668 -9.059 -2.526 1.00 0.00 C ATOM 479 C GLN A 34 -5.059 -7.586 -2.411 1.00 0.00 C ATOM 480 O GLN A 34 -5.563 -7.156 -1.378 1.00 0.00 O ATOM 481 CB GLN A 34 -3.716 -9.504 -1.399 1.00 0.00 C ATOM 482 CG GLN A 34 -3.542 -11.036 -1.402 1.00 0.00 C ATOM 483 CD GLN A 34 -4.664 -11.765 -0.652 1.00 0.00 C ATOM 484 OE1 GLN A 34 -5.810 -11.800 -1.098 1.00 0.00 O ATOM 485 NE2 GLN A 34 -4.379 -12.365 0.492 1.00 0.00 N ATOM 0 H GLN A 34 -3.085 -9.716 -3.680 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.609 -9.603 -2.444 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.746 -9.023 -1.525 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.109 -9.180 -0.435 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.510 -11.391 -2.432 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.584 -11.289 -0.948 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.428 -12.335 0.861 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.110 -12.858 1.005 1.00 0.00 H new ATOM 492 N LEU A 35 -4.806 -6.797 -3.456 1.00 0.00 N ATOM 493 CA LEU A 35 -5.300 -5.456 -3.618 1.00 0.00 C ATOM 494 C LEU A 35 -6.154 -5.274 -4.854 1.00 0.00 C ATOM 495 O LEU A 35 -7.170 -4.636 -4.685 1.00 0.00 O ATOM 496 CB LEU A 35 -4.137 -4.510 -3.734 1.00 0.00 C ATOM 497 CG LEU A 35 -3.304 -4.428 -2.447 1.00 0.00 C ATOM 498 CD1 LEU A 35 -1.974 -3.707 -2.630 1.00 0.00 C ATOM 499 CD2 LEU A 35 -4.115 -3.678 -1.392 1.00 0.00 C ATOM 0 H LEU A 35 -4.226 -7.101 -4.238 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.918 -5.251 -2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.496 -4.829 -4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.507 -3.516 -3.985 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.078 -5.451 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.438 -3.686 -1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.375 -4.232 -3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.157 -2.686 -2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.538 -3.610 -0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.342 -2.675 -1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.045 -4.213 -1.200 1.00 0.00 H new ATOM 510 N ARG A 36 -5.823 -5.710 -6.079 1.00 0.00 N ATOM 511 CA ARG A 36 -6.761 -5.523 -7.199 1.00 0.00 C ATOM 512 C ARG A 36 -8.084 -6.227 -6.927 1.00 0.00 C ATOM 513 O ARG A 36 -9.141 -5.668 -7.216 1.00 0.00 O ATOM 514 CB ARG A 36 -6.179 -5.967 -8.551 1.00 0.00 C ATOM 515 CG ARG A 36 -5.788 -7.452 -8.673 1.00 0.00 C ATOM 516 CD ARG A 36 -5.285 -7.831 -10.070 1.00 0.00 C ATOM 517 NE ARG A 36 -4.159 -6.980 -10.482 1.00 0.00 N ATOM 518 CZ ARG A 36 -3.521 -6.988 -11.653 1.00 0.00 C ATOM 519 NH1 ARG A 36 -3.722 -7.947 -12.547 1.00 0.00 N ATOM 520 NH2 ARG A 36 -2.660 -6.010 -11.897 1.00 0.00 N ATOM 0 H ARG A 36 -4.948 -6.177 -6.316 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.940 -4.450 -7.272 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.909 -5.741 -9.328 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.296 -5.363 -8.758 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.013 -7.678 -7.941 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.651 -8.070 -8.425 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.975 -8.876 -10.076 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.098 -7.736 -10.790 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.828 -6.306 -9.792 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.378 -8.702 -12.346 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.221 -7.929 -13.435 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.503 -5.283 -11.199 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.154 -5.985 -12.782 1.00 0.00 H new ATOM 531 N ASN A 37 -8.011 -7.433 -6.365 1.00 0.00 N ATOM 532 CA ASN A 37 -9.164 -8.280 -6.142 1.00 0.00 C ATOM 533 C ASN A 37 -9.968 -7.714 -4.975 1.00 0.00 C ATOM 534 O ASN A 37 -11.191 -7.620 -5.027 1.00 0.00 O ATOM 535 CB ASN A 37 -8.670 -9.708 -5.877 1.00 0.00 C ATOM 536 CG ASN A 37 -9.830 -10.679 -5.732 1.00 0.00 C ATOM 537 OD1 ASN A 37 -10.483 -11.041 -6.711 1.00 0.00 O ATOM 538 ND2 ASN A 37 -10.086 -11.146 -4.525 1.00 0.00 N ATOM 0 H ASN A 37 -7.134 -7.847 -6.050 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.821 -8.308 -7.012 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.025 -10.029 -6.695 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.066 -9.723 -4.970 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.838 -11.821 -4.388 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.532 -10.832 -3.728 1.00 0.00 H new ATOM 544 N PHE A 38 -9.250 -7.244 -3.955 1.00 0.00 N ATOM 545 CA PHE A 38 -9.795 -6.572 -2.795 1.00 0.00 C ATOM 546 C PHE A 38 -10.443 -5.256 -3.203 1.00 0.00 C ATOM 547 O PHE A 38 -11.576 -5.010 -2.812 1.00 0.00 O ATOM 548 CB PHE A 38 -8.687 -6.362 -1.760 1.00 0.00 C ATOM 549 CG PHE A 38 -8.925 -5.220 -0.798 1.00 0.00 C ATOM 550 CD1 PHE A 38 -9.709 -5.401 0.359 1.00 0.00 C ATOM 551 CD2 PHE A 38 -8.414 -3.948 -1.116 1.00 0.00 C ATOM 552 CE1 PHE A 38 -9.974 -4.305 1.200 1.00 0.00 C ATOM 553 CE2 PHE A 38 -8.721 -2.851 -0.303 1.00 0.00 C ATOM 554 CZ PHE A 38 -9.476 -3.039 0.857 1.00 0.00 C ATOM 0 H PHE A 38 -8.234 -7.329 -3.921 1.00 0.00 H new ATOM 0 HA PHE A 38 -10.571 -7.190 -2.343 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.565 -7.281 -1.187 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.748 -6.187 -2.285 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.105 -6.377 0.599 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.786 -3.819 -1.985 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.555 -4.437 2.101 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.376 -1.864 -0.571 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.680 -2.196 1.501 1.00 0.00 H new ATOM 563 N ILE A 39 -9.754 -4.410 -3.979 1.00 0.00 N ATOM 564 CA ILE A 39 -10.312 -3.135 -4.453 1.00 0.00 C ATOM 565 C ILE A 39 -11.656 -3.313 -5.158 1.00 0.00 C ATOM 566 O ILE A 39 -12.485 -2.403 -5.079 1.00 0.00 O ATOM 567 CB ILE A 39 -9.280 -2.450 -5.362 1.00 0.00 C ATOM 568 CG1 ILE A 39 -8.321 -1.610 -4.488 1.00 0.00 C ATOM 569 CG2 ILE A 39 -9.853 -1.574 -6.491 1.00 0.00 C ATOM 570 CD1 ILE A 39 -6.985 -1.281 -5.157 1.00 0.00 C ATOM 0 H ILE A 39 -8.800 -4.587 -4.295 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.515 -2.500 -3.591 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.765 -3.261 -5.877 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.817 -0.678 -4.217 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.127 -2.149 -3.561 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.035 -1.142 -7.067 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.475 -2.185 -7.145 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.456 -0.774 -6.061 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.373 -0.690 -4.476 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.464 -2.206 -5.403 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.165 -0.712 -6.069 1.00 0.00 H new ATOM 581 N SER A 40 -11.882 -4.432 -5.844 1.00 0.00 N ATOM 582 CA SER A 40 -13.186 -4.706 -6.415 1.00 0.00 C ATOM 583 C SER A 40 -14.206 -4.817 -5.280 1.00 0.00 C ATOM 584 O SER A 40 -15.175 -4.055 -5.264 1.00 0.00 O ATOM 585 CB SER A 40 -13.097 -5.946 -7.307 1.00 0.00 C ATOM 586 OG SER A 40 -14.319 -6.155 -7.981 1.00 0.00 O ATOM 0 H SER A 40 -11.182 -5.154 -6.013 1.00 0.00 H new ATOM 0 HA SER A 40 -13.526 -3.896 -7.060 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.291 -5.824 -8.031 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.853 -6.820 -6.703 1.00 0.00 H new ATOM 0 HG SER A 40 -14.247 -6.950 -8.549 1.00 0.00 H new ATOM 591 N THR A 41 -13.958 -5.709 -4.318 1.00 0.00 N ATOM 592 CA THR A 41 -14.877 -5.973 -3.224 1.00 0.00 C ATOM 593 C THR A 41 -15.078 -4.740 -2.340 1.00 0.00 C ATOM 594 O THR A 41 -16.211 -4.474 -1.933 1.00 0.00 O ATOM 595 CB THR A 41 -14.383 -7.218 -2.444 1.00 0.00 C ATOM 596 OG1 THR A 41 -15.327 -8.251 -2.641 1.00 0.00 O ATOM 597 CG2 THR A 41 -14.205 -7.052 -0.926 1.00 0.00 C ATOM 0 H THR A 41 -13.106 -6.269 -4.282 1.00 0.00 H new ATOM 0 HA THR A 41 -15.868 -6.196 -3.620 1.00 0.00 H new ATOM 0 HB THR A 41 -13.388 -7.424 -2.838 1.00 0.00 H new ATOM 0 HG1 THR A 41 -15.039 -9.054 -2.159 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.856 -7.991 -0.496 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.473 -6.269 -0.729 1.00 0.00 H new ATOM 0 HG23 THR A 41 -15.159 -6.779 -0.475 1.00 0.00 H new ATOM 605 N THR A 42 -13.996 -4.037 -1.981 1.00 0.00 N ATOM 606 CA THR A 42 -13.964 -3.288 -0.731 1.00 0.00 C ATOM 607 C THR A 42 -15.114 -2.290 -0.687 1.00 0.00 C ATOM 608 O THR A 42 -15.281 -1.480 -1.599 1.00 0.00 O ATOM 609 CB THR A 42 -12.585 -2.653 -0.524 1.00 0.00 C ATOM 610 OG1 THR A 42 -12.523 -1.975 0.714 1.00 0.00 O ATOM 611 CG2 THR A 42 -12.175 -1.664 -1.606 1.00 0.00 C ATOM 0 H THR A 42 -13.142 -3.975 -2.536 1.00 0.00 H new ATOM 0 HA THR A 42 -14.114 -3.963 0.112 1.00 0.00 H new ATOM 0 HB THR A 42 -11.894 -3.495 -0.560 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.674 -2.181 1.158 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.187 -1.264 -1.378 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.148 -2.171 -2.571 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.896 -0.848 -1.645 1.00 0.00 H new ATOM 619 N SER A 43 -15.943 -2.365 0.344 1.00 0.00 N ATOM 620 CA SER A 43 -17.082 -1.482 0.493 1.00 0.00 C ATOM 621 C SER A 43 -16.618 -0.063 0.849 1.00 0.00 C ATOM 622 O SER A 43 -17.371 0.893 0.627 1.00 0.00 O ATOM 623 CB SER A 43 -18.027 -2.137 1.510 1.00 0.00 C ATOM 624 OG SER A 43 -18.766 -1.215 2.299 1.00 0.00 O ATOM 0 H SER A 43 -15.841 -3.042 1.100 1.00 0.00 H new ATOM 0 HA SER A 43 -17.637 -1.351 -0.436 1.00 0.00 H new ATOM 0 HB2 SER A 43 -18.725 -2.782 0.977 1.00 0.00 H new ATOM 0 HB3 SER A 43 -17.443 -2.777 2.171 1.00 0.00 H new ATOM 0 HG SER A 43 -19.344 -1.706 2.920 1.00 0.00 H new ATOM 629 N LYS A 44 -15.400 0.114 1.382 1.00 0.00 N ATOM 630 CA LYS A 44 -14.921 1.415 1.850 1.00 0.00 C ATOM 631 C LYS A 44 -13.880 1.959 0.896 1.00 0.00 C ATOM 632 O LYS A 44 -13.001 1.238 0.420 1.00 0.00 O ATOM 633 CB LYS A 44 -14.415 1.362 3.299 1.00 0.00 C ATOM 634 CG LYS A 44 -15.554 1.592 4.301 1.00 0.00 C ATOM 635 CD LYS A 44 -16.423 0.352 4.486 1.00 0.00 C ATOM 636 CE LYS A 44 -17.715 0.597 5.264 1.00 0.00 C ATOM 637 NZ LYS A 44 -18.699 1.368 4.478 1.00 0.00 N ATOM 0 H LYS A 44 -14.724 -0.641 1.499 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.765 2.105 1.858 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.952 0.394 3.489 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.643 2.118 3.444 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.134 1.885 5.263 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -16.175 2.420 3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.675 -0.050 3.505 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.841 -0.411 5.003 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -18.151 -0.360 5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -17.487 1.134 6.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -19.572 1.482 5.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -18.307 2.305 4.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -18.912 0.861 3.595 1.00 0.00 H new ATOM 647 N LYS A 45 -13.993 3.260 0.631 1.00 0.00 N ATOM 648 CA LYS A 45 -13.297 3.894 -0.489 1.00 0.00 C ATOM 649 C LYS A 45 -11.846 4.206 -0.190 1.00 0.00 C ATOM 650 O LYS A 45 -11.031 4.186 -1.114 1.00 0.00 O ATOM 651 CB LYS A 45 -14.038 5.176 -0.886 1.00 0.00 C ATOM 652 CG LYS A 45 -15.239 4.822 -1.769 1.00 0.00 C ATOM 653 CD LYS A 45 -16.345 5.885 -1.812 1.00 0.00 C ATOM 654 CE LYS A 45 -16.003 7.148 -2.612 1.00 0.00 C ATOM 655 NZ LYS A 45 -15.097 8.076 -1.905 1.00 0.00 N ATOM 0 H LYS A 45 -14.565 3.900 1.182 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.296 3.181 -1.313 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.373 5.706 0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.365 5.846 -1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.885 4.646 -2.785 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.669 3.885 -1.414 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.242 5.436 -2.238 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.588 6.176 -0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.543 6.855 -3.556 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.927 7.673 -2.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.223 9.038 -2.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.317 8.069 -0.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.112 7.776 -2.048 1.00 0.00 H new ATOM 665 N LYS A 46 -11.520 4.570 1.053 1.00 0.00 N ATOM 666 CA LYS A 46 -10.194 5.100 1.348 1.00 0.00 C ATOM 667 C LYS A 46 -9.230 3.974 1.646 1.00 0.00 C ATOM 668 O LYS A 46 -9.224 3.473 2.763 1.00 0.00 O ATOM 669 CB LYS A 46 -10.287 6.229 2.383 1.00 0.00 C ATOM 670 CG LYS A 46 -9.028 7.100 2.457 1.00 0.00 C ATOM 671 CD LYS A 46 -9.205 8.238 3.469 1.00 0.00 C ATOM 672 CE LYS A 46 -10.057 9.391 2.923 1.00 0.00 C ATOM 673 NZ LYS A 46 -10.711 10.162 3.996 1.00 0.00 N ATOM 0 H LYS A 46 -12.146 4.508 1.856 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.760 5.586 0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.142 6.861 2.143 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.477 5.795 3.365 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.173 6.486 2.741 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.810 7.515 1.473 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.670 7.845 4.373 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.225 8.620 3.755 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.427 10.057 2.333 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.817 8.992 2.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.275 10.929 3.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.333 9.535 4.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.987 10.567 4.623 1.00 0.00 H new ATOM 683 N ILE A 47 -8.479 3.509 0.647 1.00 0.00 N ATOM 684 CA ILE A 47 -7.628 2.344 0.796 1.00 0.00 C ATOM 685 C ILE A 47 -6.334 2.821 1.461 1.00 0.00 C ATOM 686 O ILE A 47 -5.524 3.504 0.826 1.00 0.00 O ATOM 687 CB ILE A 47 -7.436 1.655 -0.575 1.00 0.00 C ATOM 688 CG1 ILE A 47 -8.755 1.455 -1.367 1.00 0.00 C ATOM 689 CG2 ILE A 47 -6.750 0.305 -0.368 1.00 0.00 C ATOM 690 CD1 ILE A 47 -9.933 0.862 -0.587 1.00 0.00 C ATOM 0 H ILE A 47 -8.448 3.932 -0.281 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.067 1.576 1.433 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.818 2.321 -1.177 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.062 2.421 -1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.548 0.807 -2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.612 -0.185 -1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.779 0.459 0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.369 -0.323 0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.796 0.770 -1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.660 -0.123 -0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.182 1.516 0.249 1.00 0.00 H new ATOM 701 N VAL A 48 -6.181 2.563 2.758 1.00 0.00 N ATOM 702 CA VAL A 48 -5.042 3.019 3.555 1.00 0.00 C ATOM 703 C VAL A 48 -4.130 1.840 3.790 1.00 0.00 C ATOM 704 O VAL A 48 -4.509 0.872 4.440 1.00 0.00 O ATOM 705 CB VAL A 48 -5.499 3.629 4.892 1.00 0.00 C ATOM 706 CG1 VAL A 48 -4.293 4.161 5.678 1.00 0.00 C ATOM 707 CG2 VAL A 48 -6.508 4.751 4.639 1.00 0.00 C ATOM 0 H VAL A 48 -6.857 2.021 3.296 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.512 3.803 3.015 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.980 2.852 5.485 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.633 4.589 6.621 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.601 3.344 5.880 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.787 4.929 5.093 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.825 5.176 5.591 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.044 5.528 4.031 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.375 4.349 4.114 1.00 0.00 H new ATOM 717 N LEU A 49 -2.935 1.927 3.230 1.00 0.00 N ATOM 718 CA LEU A 49 -1.909 0.922 3.353 1.00 0.00 C ATOM 719 C LEU A 49 -1.046 1.242 4.542 1.00 0.00 C ATOM 720 O LEU A 49 -0.598 2.353 4.609 1.00 0.00 O ATOM 721 CB LEU A 49 -1.126 0.839 2.044 1.00 0.00 C ATOM 722 CG LEU A 49 -1.760 0.055 0.881 1.00 0.00 C ATOM 723 CD1 LEU A 49 -1.977 -1.425 1.205 1.00 0.00 C ATOM 724 CD2 LEU A 49 -3.072 0.677 0.396 1.00 0.00 C ATOM 0 H LEU A 49 -2.650 2.725 2.662 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.341 -0.064 3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.938 1.856 1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.156 0.392 2.261 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.031 0.119 0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.427 -1.923 0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.019 -1.891 1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.640 -1.516 2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.475 0.083 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.790 0.697 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.887 1.694 0.051 1.00 0.00 H new ATOM 735 N ASP A 50 -0.827 0.337 5.483 1.00 0.00 N ATOM 736 CA ASP A 50 0.004 0.419 6.697 1.00 0.00 C ATOM 737 C ASP A 50 1.324 -0.283 6.472 1.00 0.00 C ATOM 738 O ASP A 50 1.303 -1.475 6.169 1.00 0.00 O ATOM 739 CB ASP A 50 -0.727 -0.335 7.806 1.00 0.00 C ATOM 740 CG ASP A 50 -0.269 -0.076 9.225 1.00 0.00 C ATOM 741 OD1 ASP A 50 0.902 0.285 9.463 1.00 0.00 O ATOM 742 OD2 ASP A 50 -1.065 -0.432 10.128 1.00 0.00 O ATOM 0 H ASP A 50 -1.272 -0.578 5.417 1.00 0.00 H new ATOM 0 HA ASP A 50 0.179 1.464 6.951 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.787 -0.090 7.741 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.634 -1.403 7.609 1.00 0.00 H new ATOM 746 N LEU A 51 2.460 0.407 6.585 1.00 0.00 N ATOM 747 CA LEU A 51 3.769 -0.115 6.244 1.00 0.00 C ATOM 748 C LEU A 51 4.688 -0.251 7.459 1.00 0.00 C ATOM 749 O LEU A 51 5.906 -0.369 7.307 1.00 0.00 O ATOM 750 CB LEU A 51 4.382 0.713 5.106 1.00 0.00 C ATOM 751 CG LEU A 51 3.635 0.711 3.757 1.00 0.00 C ATOM 752 CD1 LEU A 51 3.285 -0.686 3.230 1.00 0.00 C ATOM 753 CD2 LEU A 51 2.378 1.568 3.699 1.00 0.00 C ATOM 0 H LEU A 51 2.488 1.368 6.926 1.00 0.00 H new ATOM 0 HA LEU A 51 3.646 -1.135 5.881 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.465 1.745 5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.396 0.352 4.932 1.00 0.00 H new ATOM 0 HG LEU A 51 4.384 1.167 3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.762 -0.595 2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.200 -1.261 3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.644 -1.196 3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.933 1.494 2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.664 1.218 4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.636 2.607 3.904 1.00 0.00 H new ATOM 764 N SER A 52 4.116 -0.284 8.661 1.00 0.00 N ATOM 765 CA SER A 52 4.859 -0.472 9.896 1.00 0.00 C ATOM 766 C SER A 52 5.747 -1.732 9.861 1.00 0.00 C ATOM 767 O SER A 52 6.874 -1.706 10.359 1.00 0.00 O ATOM 768 CB SER A 52 3.852 -0.518 11.046 1.00 0.00 C ATOM 769 OG SER A 52 4.499 -0.490 12.300 1.00 0.00 O ATOM 0 H SER A 52 3.111 -0.179 8.802 1.00 0.00 H new ATOM 0 HA SER A 52 5.548 0.361 10.036 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.170 0.329 10.968 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.248 -1.422 10.967 1.00 0.00 H new ATOM 0 HG SER A 52 3.829 -0.519 13.015 1.00 0.00 H new ATOM 774 N SER A 53 5.270 -2.825 9.262 1.00 0.00 N ATOM 775 CA SER A 53 5.937 -4.120 9.199 1.00 0.00 C ATOM 776 C SER A 53 6.930 -4.223 8.027 1.00 0.00 C ATOM 777 O SER A 53 7.522 -5.288 7.837 1.00 0.00 O ATOM 778 CB SER A 53 4.841 -5.192 9.082 1.00 0.00 C ATOM 779 OG SER A 53 4.351 -5.600 10.347 1.00 0.00 O ATOM 0 H SER A 53 4.367 -2.828 8.787 1.00 0.00 H new ATOM 0 HA SER A 53 6.533 -4.261 10.100 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.017 -4.802 8.484 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.238 -6.058 8.552 1.00 0.00 H new ATOM 0 HG SER A 53 4.205 -6.569 10.344 1.00 0.00 H new ATOM 784 N VAL A 54 7.107 -3.174 7.219 1.00 0.00 N ATOM 785 CA VAL A 54 7.823 -3.263 5.953 1.00 0.00 C ATOM 786 C VAL A 54 9.257 -2.778 6.165 1.00 0.00 C ATOM 787 O VAL A 54 9.527 -1.580 6.205 1.00 0.00 O ATOM 788 CB VAL A 54 7.034 -2.502 4.870 1.00 0.00 C ATOM 789 CG1 VAL A 54 7.754 -2.511 3.522 1.00 0.00 C ATOM 790 CG2 VAL A 54 5.630 -3.116 4.689 1.00 0.00 C ATOM 0 H VAL A 54 6.756 -2.240 7.429 1.00 0.00 H new ATOM 0 HA VAL A 54 7.900 -4.289 5.594 1.00 0.00 H new ATOM 0 HB VAL A 54 6.950 -1.470 5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.161 -1.963 2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.730 -2.037 3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.885 -3.540 3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.088 -2.565 3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.725 -4.159 4.389 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.083 -3.058 5.630 1.00 0.00 H new ATOM 800 N SER A 55 10.182 -3.715 6.378 1.00 0.00 N ATOM 801 CA SER A 55 11.568 -3.456 6.693 1.00 0.00 C ATOM 802 C SER A 55 12.413 -3.074 5.477 1.00 0.00 C ATOM 803 O SER A 55 13.334 -2.273 5.624 1.00 0.00 O ATOM 804 CB SER A 55 12.077 -4.762 7.274 1.00 0.00 C ATOM 805 OG SER A 55 11.434 -5.048 8.503 1.00 0.00 O ATOM 0 H SER A 55 9.967 -4.711 6.332 1.00 0.00 H new ATOM 0 HA SER A 55 11.645 -2.606 7.371 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.900 -5.573 6.568 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.155 -4.702 7.427 1.00 0.00 H new ATOM 0 HG SER A 55 11.774 -5.894 8.861 1.00 0.00 H new ATOM 810 N TYR A 56 12.135 -3.644 4.304 1.00 0.00 N ATOM 811 CA TYR A 56 12.876 -3.436 3.066 1.00 0.00 C ATOM 812 C TYR A 56 11.872 -3.255 1.935 1.00 0.00 C ATOM 813 O TYR A 56 10.721 -3.680 2.090 1.00 0.00 O ATOM 814 CB TYR A 56 13.828 -4.623 2.827 1.00 0.00 C ATOM 815 CG TYR A 56 14.343 -4.765 1.406 1.00 0.00 C ATOM 816 CD1 TYR A 56 15.372 -3.921 0.958 1.00 0.00 C ATOM 817 CD2 TYR A 56 13.743 -5.673 0.508 1.00 0.00 C ATOM 818 CE1 TYR A 56 15.780 -3.956 -0.383 1.00 0.00 C ATOM 819 CE2 TYR A 56 14.156 -5.732 -0.838 1.00 0.00 C ATOM 820 CZ TYR A 56 15.174 -4.854 -1.288 1.00 0.00 C ATOM 821 OH TYR A 56 15.579 -4.802 -2.588 1.00 0.00 O ATOM 0 H TYR A 56 11.354 -4.290 4.189 1.00 0.00 H new ATOM 0 HA TYR A 56 13.495 -2.541 3.121 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.682 -4.523 3.497 1.00 0.00 H new ATOM 0 HB3 TYR A 56 13.312 -5.543 3.103 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.851 -3.243 1.649 1.00 0.00 H new ATOM 0 HD2 TYR A 56 12.959 -6.330 0.856 1.00 0.00 H new ATOM 0 HE1 TYR A 56 16.561 -3.293 -0.725 1.00 0.00 H new ATOM 0 HE2 TYR A 56 13.703 -6.437 -1.518 1.00 0.00 H new ATOM 0 HH TYR A 56 14.970 -5.334 -3.142 1.00 0.00 H new ATOM 830 N MET A 57 12.303 -2.633 0.833 1.00 0.00 N ATOM 831 CA MET A 57 11.520 -2.443 -0.375 1.00 0.00 C ATOM 832 C MET A 57 12.408 -2.595 -1.600 1.00 0.00 C ATOM 833 O MET A 57 13.393 -1.865 -1.731 1.00 0.00 O ATOM 834 CB MET A 57 10.845 -1.065 -0.335 1.00 0.00 C ATOM 835 CG MET A 57 10.082 -0.682 -1.609 1.00 0.00 C ATOM 836 SD MET A 57 9.154 0.868 -1.454 1.00 0.00 S ATOM 837 CE MET A 57 7.683 0.337 -2.347 1.00 0.00 C ATOM 0 H MET A 57 13.240 -2.237 0.763 1.00 0.00 H new ATOM 0 HA MET A 57 10.741 -3.203 -0.435 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.153 -1.040 0.507 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.607 -0.309 -0.144 1.00 0.00 H new ATOM 0 HG2 MET A 57 10.789 -0.593 -2.434 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.392 -1.486 -1.866 1.00 0.00 H new ATOM 0 HE1 MET A 57 6.809 0.848 -1.944 1.00 0.00 H new ATOM 0 HE2 MET A 57 7.791 0.581 -3.404 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.558 -0.740 -2.234 1.00 0.00 H new ATOM 845 N ASP A 58 12.062 -3.518 -2.500 1.00 0.00 N ATOM 846 CA ASP A 58 12.671 -3.616 -3.825 1.00 0.00 C ATOM 847 C ASP A 58 12.008 -2.630 -4.795 1.00 0.00 C ATOM 848 O ASP A 58 10.940 -2.078 -4.522 1.00 0.00 O ATOM 849 CB ASP A 58 12.583 -5.054 -4.371 1.00 0.00 C ATOM 850 CG ASP A 58 13.706 -5.319 -5.368 1.00 0.00 C ATOM 851 OD1 ASP A 58 13.547 -4.990 -6.567 1.00 0.00 O ATOM 852 OD2 ASP A 58 14.769 -5.794 -4.912 1.00 0.00 O ATOM 0 H ASP A 58 11.346 -4.223 -2.327 1.00 0.00 H new ATOM 0 HA ASP A 58 13.725 -3.356 -3.732 1.00 0.00 H new ATOM 0 HB2 ASP A 58 12.645 -5.766 -3.548 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.618 -5.207 -4.853 1.00 0.00 H new ATOM 856 N SER A 59 12.598 -2.477 -5.981 1.00 0.00 N ATOM 857 CA SER A 59 12.008 -1.827 -7.147 1.00 0.00 C ATOM 858 C SER A 59 10.622 -2.388 -7.487 1.00 0.00 C ATOM 859 O SER A 59 9.771 -1.671 -8.024 1.00 0.00 O ATOM 860 CB SER A 59 12.965 -2.036 -8.330 1.00 0.00 C ATOM 861 OG SER A 59 13.101 -3.412 -8.664 1.00 0.00 O ATOM 0 H SER A 59 13.542 -2.819 -6.161 1.00 0.00 H new ATOM 0 HA SER A 59 11.870 -0.768 -6.931 1.00 0.00 H new ATOM 0 HB2 SER A 59 12.597 -1.487 -9.196 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.943 -1.624 -8.083 1.00 0.00 H new ATOM 0 HG SER A 59 13.465 -3.901 -7.896 1.00 0.00 H new ATOM 866 N ALA A 60 10.389 -3.666 -7.169 1.00 0.00 N ATOM 867 CA ALA A 60 9.159 -4.353 -7.488 1.00 0.00 C ATOM 868 C ALA A 60 8.028 -3.714 -6.690 1.00 0.00 C ATOM 869 O ALA A 60 6.928 -3.564 -7.205 1.00 0.00 O ATOM 870 CB ALA A 60 9.317 -5.846 -7.182 1.00 0.00 C ATOM 0 H ALA A 60 11.066 -4.249 -6.677 1.00 0.00 H new ATOM 0 HA ALA A 60 8.920 -4.264 -8.548 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.390 -6.367 -7.422 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.129 -6.256 -7.782 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.544 -5.979 -6.124 1.00 0.00 H new ATOM 876 N GLY A 61 8.318 -3.265 -5.472 1.00 0.00 N ATOM 877 CA GLY A 61 7.398 -2.753 -4.483 1.00 0.00 C ATOM 878 C GLY A 61 6.618 -1.580 -5.022 1.00 0.00 C ATOM 879 O GLY A 61 5.390 -1.539 -5.006 1.00 0.00 O ATOM 0 H GLY A 61 9.280 -3.252 -5.133 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.710 -3.542 -4.179 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.948 -2.449 -3.593 1.00 0.00 H new ATOM 883 N LEU A 62 7.363 -0.599 -5.509 1.00 0.00 N ATOM 884 CA LEU A 62 6.821 0.660 -5.975 1.00 0.00 C ATOM 885 C LEU A 62 6.171 0.421 -7.321 1.00 0.00 C ATOM 886 O LEU A 62 5.093 0.957 -7.543 1.00 0.00 O ATOM 887 CB LEU A 62 7.845 1.806 -6.024 1.00 0.00 C ATOM 888 CG LEU A 62 9.273 1.451 -6.477 1.00 0.00 C ATOM 889 CD1 LEU A 62 9.935 2.647 -7.157 1.00 0.00 C ATOM 890 CD2 LEU A 62 10.117 1.043 -5.266 1.00 0.00 C ATOM 0 H LEU A 62 8.378 -0.661 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 62 6.082 1.001 -5.250 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.460 2.576 -6.692 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.906 2.248 -5.030 1.00 0.00 H new ATOM 0 HG LEU A 62 9.210 0.624 -7.184 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.943 2.376 -7.470 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.351 2.939 -8.030 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.984 3.482 -6.458 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.126 0.793 -5.593 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.160 1.870 -4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.667 0.175 -4.784 1.00 0.00 H new ATOM 901 N GLY A 63 6.768 -0.417 -8.172 1.00 0.00 N ATOM 902 CA GLY A 63 6.171 -0.873 -9.417 1.00 0.00 C ATOM 903 C GLY A 63 4.900 -1.698 -9.199 1.00 0.00 C ATOM 904 O GLY A 63 4.122 -1.852 -10.135 1.00 0.00 O ATOM 0 H GLY A 63 7.698 -0.802 -8.006 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.936 -0.010 -10.039 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.898 -1.472 -9.965 1.00 0.00 H new ATOM 908 N THR A 64 4.647 -2.205 -7.992 1.00 0.00 N ATOM 909 CA THR A 64 3.447 -2.944 -7.652 1.00 0.00 C ATOM 910 C THR A 64 2.447 -1.902 -7.163 1.00 0.00 C ATOM 911 O THR A 64 1.330 -1.820 -7.661 1.00 0.00 O ATOM 912 CB THR A 64 3.795 -4.045 -6.619 1.00 0.00 C ATOM 913 OG1 THR A 64 4.721 -4.943 -7.198 1.00 0.00 O ATOM 914 CG2 THR A 64 2.591 -4.863 -6.162 1.00 0.00 C ATOM 0 H THR A 64 5.293 -2.106 -7.209 1.00 0.00 H new ATOM 0 HA THR A 64 3.005 -3.482 -8.491 1.00 0.00 H new ATOM 0 HB THR A 64 4.198 -3.528 -5.748 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.628 -4.582 -7.106 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.914 -5.613 -5.440 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.858 -4.203 -5.697 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.140 -5.358 -7.022 1.00 0.00 H new ATOM 922 N LEU A 65 2.850 -1.035 -6.235 1.00 0.00 N ATOM 923 CA LEU A 65 1.943 -0.113 -5.573 1.00 0.00 C ATOM 924 C LEU A 65 1.441 0.982 -6.515 1.00 0.00 C ATOM 925 O LEU A 65 0.293 1.401 -6.412 1.00 0.00 O ATOM 926 CB LEU A 65 2.670 0.474 -4.365 1.00 0.00 C ATOM 927 CG LEU A 65 2.702 -0.509 -3.178 1.00 0.00 C ATOM 928 CD1 LEU A 65 3.828 -0.100 -2.235 1.00 0.00 C ATOM 929 CD2 LEU A 65 1.369 -0.530 -2.415 1.00 0.00 C ATOM 0 H LEU A 65 3.818 -0.956 -5.924 1.00 0.00 H new ATOM 0 HA LEU A 65 1.052 -0.651 -5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.690 0.735 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.178 1.397 -4.059 1.00 0.00 H new ATOM 0 HG LEU A 65 2.871 -1.513 -3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.862 -0.787 -1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.778 -0.132 -2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.649 0.912 -1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.435 -1.236 -1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.156 0.466 -2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.569 -0.835 -3.089 1.00 0.00 H new ATOM 940 N VAL A 66 2.251 1.424 -7.473 1.00 0.00 N ATOM 941 CA VAL A 66 1.838 2.445 -8.431 1.00 0.00 C ATOM 942 C VAL A 66 0.752 1.926 -9.378 1.00 0.00 C ATOM 943 O VAL A 66 -0.048 2.714 -9.881 1.00 0.00 O ATOM 944 CB VAL A 66 3.089 2.945 -9.166 1.00 0.00 C ATOM 945 CG1 VAL A 66 3.668 1.894 -10.104 1.00 0.00 C ATOM 946 CG2 VAL A 66 2.831 4.231 -9.957 1.00 0.00 C ATOM 0 H VAL A 66 3.205 1.088 -7.607 1.00 0.00 H new ATOM 0 HA VAL A 66 1.379 3.286 -7.911 1.00 0.00 H new ATOM 0 HB VAL A 66 3.814 3.157 -8.381 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.551 2.296 -10.600 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.945 1.009 -9.532 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.923 1.624 -10.852 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.749 4.541 -10.457 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.055 4.051 -10.701 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.506 5.018 -9.276 1.00 0.00 H new ATOM 956 N VAL A 67 0.706 0.611 -9.602 1.00 0.00 N ATOM 957 CA VAL A 67 -0.370 -0.065 -10.317 1.00 0.00 C ATOM 958 C VAL A 67 -1.629 -0.029 -9.446 1.00 0.00 C ATOM 959 O VAL A 67 -2.714 0.224 -9.966 1.00 0.00 O ATOM 960 CB VAL A 67 0.078 -1.497 -10.693 1.00 0.00 C ATOM 961 CG1 VAL A 67 -0.995 -2.314 -11.408 1.00 0.00 C ATOM 962 CG2 VAL A 67 1.301 -1.471 -11.619 1.00 0.00 C ATOM 0 H VAL A 67 1.436 -0.026 -9.282 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.606 0.439 -11.254 1.00 0.00 H new ATOM 0 HB VAL A 67 0.304 -1.967 -9.736 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.605 -3.305 -11.638 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.869 -2.409 -10.764 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.278 -1.812 -12.333 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.592 -2.492 -11.866 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.053 -0.933 -12.534 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.128 -0.969 -11.116 1.00 0.00 H new ATOM 972 N ILE A 68 -1.493 -0.210 -8.127 1.00 0.00 N ATOM 973 CA ILE A 68 -2.620 -0.200 -7.195 1.00 0.00 C ATOM 974 C ILE A 68 -3.278 1.180 -7.167 1.00 0.00 C ATOM 975 O ILE A 68 -4.505 1.261 -7.124 1.00 0.00 O ATOM 976 CB ILE A 68 -2.198 -0.686 -5.790 1.00 0.00 C ATOM 977 CG1 ILE A 68 -1.598 -2.107 -5.836 1.00 0.00 C ATOM 978 CG2 ILE A 68 -3.368 -0.638 -4.792 1.00 0.00 C ATOM 979 CD1 ILE A 68 -2.472 -3.180 -6.491 1.00 0.00 C ATOM 0 H ILE A 68 -0.592 -0.368 -7.677 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.368 -0.909 -7.549 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.427 0.002 -5.443 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.649 -2.063 -6.370 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.375 -2.420 -4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.029 -0.988 -3.817 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.730 0.386 -4.704 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.175 -1.279 -5.147 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.951 -4.137 -6.468 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.413 -3.265 -5.947 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.675 -2.902 -7.525 1.00 0.00 H new ATOM 990 N LEU A 69 -2.493 2.261 -7.249 1.00 0.00 N ATOM 991 CA LEU A 69 -3.023 3.619 -7.381 1.00 0.00 C ATOM 992 C LEU A 69 -4.022 3.688 -8.542 1.00 0.00 C ATOM 993 O LEU A 69 -5.099 4.277 -8.386 1.00 0.00 O ATOM 994 CB LEU A 69 -1.851 4.608 -7.537 1.00 0.00 C ATOM 995 CG LEU A 69 -2.250 6.098 -7.618 1.00 0.00 C ATOM 996 CD1 LEU A 69 -1.064 6.964 -7.172 1.00 0.00 C ATOM 997 CD2 LEU A 69 -2.625 6.548 -9.040 1.00 0.00 C ATOM 0 H LEU A 69 -1.474 2.217 -7.226 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.573 3.901 -6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.172 4.476 -6.695 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.296 4.348 -8.438 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.121 6.217 -6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.341 8.017 -7.228 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.796 6.713 -6.146 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.212 6.778 -7.826 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.895 7.604 -9.028 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.774 6.399 -9.705 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.472 5.961 -9.396 1.00 0.00 H new ATOM 1008 N LYS A 70 -3.672 3.077 -9.684 1.00 0.00 N ATOM 1009 CA LYS A 70 -4.535 3.005 -10.860 1.00 0.00 C ATOM 1010 C LYS A 70 -5.722 2.129 -10.529 1.00 0.00 C ATOM 1011 O LYS A 70 -6.815 2.654 -10.532 1.00 0.00 O ATOM 1012 CB LYS A 70 -3.832 2.527 -12.147 1.00 0.00 C ATOM 1013 CG LYS A 70 -2.394 3.039 -12.231 1.00 0.00 C ATOM 1014 CD LYS A 70 -1.742 2.932 -13.616 1.00 0.00 C ATOM 1015 CE LYS A 70 -0.865 1.683 -13.774 1.00 0.00 C ATOM 1016 NZ LYS A 70 -0.122 1.711 -15.054 1.00 0.00 N ATOM 0 H LYS A 70 -2.771 2.616 -9.812 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.852 4.022 -11.090 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.832 1.437 -12.178 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.392 2.871 -13.017 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.378 4.083 -11.920 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.785 2.484 -11.517 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.521 2.920 -14.378 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.135 3.820 -13.795 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.162 1.621 -12.943 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.488 0.790 -13.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.463 0.855 -15.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.796 1.746 -15.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.489 2.552 -15.082 1.00 0.00 H new ATOM 1026 N ASP A 71 -5.542 0.840 -10.239 1.00 0.00 N ATOM 1027 CA ASP A 71 -6.588 -0.128 -9.882 1.00 0.00 C ATOM 1028 C ASP A 71 -7.651 0.481 -8.972 1.00 0.00 C ATOM 1029 O ASP A 71 -8.841 0.325 -9.239 1.00 0.00 O ATOM 1030 CB ASP A 71 -5.979 -1.379 -9.223 1.00 0.00 C ATOM 1031 CG ASP A 71 -5.697 -2.495 -10.217 1.00 0.00 C ATOM 1032 OD1 ASP A 71 -6.579 -3.352 -10.448 1.00 0.00 O ATOM 1033 OD2 ASP A 71 -4.545 -2.567 -10.704 1.00 0.00 O ATOM 0 H ASP A 71 -4.614 0.417 -10.246 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.077 -0.420 -10.811 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.051 -1.104 -8.721 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.660 -1.747 -8.455 1.00 0.00 H new ATOM 1037 N ALA A 72 -7.238 1.216 -7.935 1.00 0.00 N ATOM 1038 CA ALA A 72 -8.125 1.967 -7.071 1.00 0.00 C ATOM 1039 C ALA A 72 -8.956 2.932 -7.919 1.00 0.00 C ATOM 1040 O ALA A 72 -10.165 2.757 -7.998 1.00 0.00 O ATOM 1041 CB ALA A 72 -7.313 2.658 -5.970 1.00 0.00 C ATOM 0 H ALA A 72 -6.255 1.301 -7.676 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.828 1.306 -6.564 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.984 3.222 -5.322 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.786 1.907 -5.381 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.590 3.337 -6.423 1.00 0.00 H new ATOM 1047 N LYS A 73 -8.337 3.912 -8.584 1.00 0.00 N ATOM 1048 CA LYS A 73 -9.005 4.877 -9.461 1.00 0.00 C ATOM 1049 C LYS A 73 -9.852 4.213 -10.557 1.00 0.00 C ATOM 1050 O LYS A 73 -10.944 4.707 -10.830 1.00 0.00 O ATOM 1051 CB LYS A 73 -7.950 5.852 -10.008 1.00 0.00 C ATOM 1052 CG LYS A 73 -8.518 6.858 -11.022 1.00 0.00 C ATOM 1053 CD LYS A 73 -8.242 6.421 -12.468 1.00 0.00 C ATOM 1054 CE LYS A 73 -6.903 6.954 -12.983 1.00 0.00 C ATOM 1055 NZ LYS A 73 -6.945 8.382 -13.364 1.00 0.00 N ATOM 0 H LYS A 73 -7.329 4.060 -8.525 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.735 5.441 -8.880 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.504 6.398 -9.176 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.150 5.283 -10.481 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.593 6.960 -10.871 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.077 7.839 -10.848 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.245 5.332 -12.524 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.046 6.776 -13.113 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.144 6.814 -12.213 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.594 6.365 -13.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.008 8.678 -13.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.646 8.519 -14.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.211 8.954 -12.537 1.00 0.00 H new ATOM 1065 N ILE A 74 -9.415 3.097 -11.140 1.00 0.00 N ATOM 1066 CA ILE A 74 -10.130 2.319 -12.149 1.00 0.00 C ATOM 1067 C ILE A 74 -11.482 1.893 -11.568 1.00 0.00 C ATOM 1068 O ILE A 74 -12.501 1.983 -12.253 1.00 0.00 O ATOM 1069 CB ILE A 74 -9.259 1.115 -12.606 1.00 0.00 C ATOM 1070 CG1 ILE A 74 -7.983 1.594 -13.345 1.00 0.00 C ATOM 1071 CG2 ILE A 74 -10.041 0.157 -13.518 1.00 0.00 C ATOM 1072 CD1 ILE A 74 -6.937 0.532 -13.682 1.00 0.00 C ATOM 0 H ILE A 74 -8.508 2.692 -10.909 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.322 2.916 -13.040 1.00 0.00 H new ATOM 0 HB ILE A 74 -8.972 0.579 -11.701 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.290 2.074 -14.274 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.504 2.359 -12.734 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.396 -0.670 -13.815 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -10.906 -0.232 -12.981 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -10.376 0.693 -14.406 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.097 0.999 -14.196 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -6.585 0.064 -12.763 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.382 -0.225 -14.327 1.00 0.00 H new ATOM 1083 N ASN A 75 -11.513 1.480 -10.298 1.00 0.00 N ATOM 1084 CA ASN A 75 -12.723 1.095 -9.581 1.00 0.00 C ATOM 1085 C ASN A 75 -13.400 2.296 -8.909 1.00 0.00 C ATOM 1086 O ASN A 75 -14.482 2.143 -8.340 1.00 0.00 O ATOM 1087 CB ASN A 75 -12.378 0.047 -8.508 1.00 0.00 C ATOM 1088 CG ASN A 75 -13.130 -1.260 -8.662 1.00 0.00 C ATOM 1089 OD1 ASN A 75 -12.529 -2.322 -8.723 1.00 0.00 O ATOM 1090 ND2 ASN A 75 -14.452 -1.215 -8.643 1.00 0.00 N ATOM 0 H ASN A 75 -10.671 1.403 -9.728 1.00 0.00 H new ATOM 0 HA ASN A 75 -13.418 0.680 -10.311 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.307 -0.155 -8.542 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -12.592 0.464 -7.524 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -14.992 -2.079 -8.680 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -14.931 -0.316 -8.592 1.00 0.00 H new ATOM 1096 N GLY A 76 -12.768 3.471 -8.925 1.00 0.00 N ATOM 1097 CA GLY A 76 -13.248 4.704 -8.322 1.00 0.00 C ATOM 1098 C GLY A 76 -12.871 4.885 -6.854 1.00 0.00 C ATOM 1099 O GLY A 76 -13.579 5.618 -6.159 1.00 0.00 O ATOM 0 H GLY A 76 -11.864 3.588 -9.383 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.856 5.547 -8.890 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.334 4.737 -8.411 1.00 0.00 H new ATOM 1103 N LYS A 77 -11.815 4.224 -6.365 1.00 0.00 N ATOM 1104 CA LYS A 77 -11.405 4.224 -4.960 1.00 0.00 C ATOM 1105 C LYS A 77 -10.121 5.039 -4.764 1.00 0.00 C ATOM 1106 O LYS A 77 -9.399 5.342 -5.720 1.00 0.00 O ATOM 1107 CB LYS A 77 -11.235 2.778 -4.453 1.00 0.00 C ATOM 1108 CG LYS A 77 -12.358 1.823 -4.913 1.00 0.00 C ATOM 1109 CD LYS A 77 -12.722 0.759 -3.874 1.00 0.00 C ATOM 1110 CE LYS A 77 -14.180 0.277 -3.935 1.00 0.00 C ATOM 1111 NZ LYS A 77 -14.552 -0.572 -5.089 1.00 0.00 N ATOM 0 H LYS A 77 -11.206 3.658 -6.956 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.188 4.701 -4.370 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.277 2.391 -4.799 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.200 2.786 -3.364 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.247 2.408 -5.148 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.049 1.329 -5.834 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.064 -0.099 -4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.527 1.160 -2.879 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.393 -0.278 -3.022 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.828 1.153 -3.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.445 -1.064 -4.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.670 0.023 -5.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.803 -1.272 -5.261 1.00 0.00 H new ATOM 1121 N GLU A 78 -9.826 5.382 -3.513 1.00 0.00 N ATOM 1122 CA GLU A 78 -8.665 6.183 -3.126 1.00 0.00 C ATOM 1123 C GLU A 78 -7.466 5.279 -2.799 1.00 0.00 C ATOM 1124 O GLU A 78 -7.604 4.057 -2.780 1.00 0.00 O ATOM 1125 CB GLU A 78 -9.051 7.031 -1.904 1.00 0.00 C ATOM 1126 CG GLU A 78 -8.399 8.412 -1.916 1.00 0.00 C ATOM 1127 CD GLU A 78 -8.972 9.290 -3.028 1.00 0.00 C ATOM 1128 OE1 GLU A 78 -10.159 9.662 -2.938 1.00 0.00 O ATOM 1129 OE2 GLU A 78 -8.234 9.657 -3.974 1.00 0.00 O ATOM 0 H GLU A 78 -10.402 5.104 -2.719 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.371 6.831 -3.951 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.135 7.145 -1.874 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.761 6.504 -0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.553 8.897 -0.952 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.323 8.307 -2.052 1.00 0.00 H new ATOM 1134 N PHE A 79 -6.287 5.846 -2.521 1.00 0.00 N ATOM 1135 CA PHE A 79 -5.089 5.101 -2.142 1.00 0.00 C ATOM 1136 C PHE A 79 -4.096 6.014 -1.393 1.00 0.00 C ATOM 1137 O PHE A 79 -3.792 7.116 -1.860 1.00 0.00 O ATOM 1138 CB PHE A 79 -4.519 4.496 -3.431 1.00 0.00 C ATOM 1139 CG PHE A 79 -3.031 4.235 -3.422 1.00 0.00 C ATOM 1140 CD1 PHE A 79 -2.505 3.073 -2.827 1.00 0.00 C ATOM 1141 CD2 PHE A 79 -2.168 5.206 -3.955 1.00 0.00 C ATOM 1142 CE1 PHE A 79 -1.112 2.908 -2.736 1.00 0.00 C ATOM 1143 CE2 PHE A 79 -0.780 5.053 -3.841 1.00 0.00 C ATOM 1144 CZ PHE A 79 -0.255 3.913 -3.222 1.00 0.00 C ATOM 0 H PHE A 79 -6.140 6.855 -2.555 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.311 4.295 -1.442 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.034 3.556 -3.630 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.748 5.167 -4.259 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.168 2.312 -2.442 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.575 6.073 -4.454 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.701 2.012 -2.294 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -0.117 5.812 -4.230 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.814 3.804 -3.117 1.00 0.00 H new ATOM 1153 N ILE A 80 -3.625 5.596 -0.209 1.00 0.00 N ATOM 1154 CA ILE A 80 -2.708 6.306 0.701 1.00 0.00 C ATOM 1155 C ILE A 80 -1.844 5.236 1.385 1.00 0.00 C ATOM 1156 O ILE A 80 -2.305 4.103 1.537 1.00 0.00 O ATOM 1157 CB ILE A 80 -3.498 7.120 1.766 1.00 0.00 C ATOM 1158 CG1 ILE A 80 -4.516 8.112 1.158 1.00 0.00 C ATOM 1159 CG2 ILE A 80 -2.535 7.889 2.700 1.00 0.00 C ATOM 1160 CD1 ILE A 80 -5.588 8.554 2.159 1.00 0.00 C ATOM 0 H ILE A 80 -3.893 4.687 0.167 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.094 7.015 0.146 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.064 6.382 2.334 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.985 8.990 0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.998 7.648 0.298 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.112 8.450 3.435 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.883 7.182 3.213 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.930 8.578 2.111 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.273 9.249 1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.142 7.682 2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.113 9.045 3.008 1.00 0.00 H new ATOM 1171 N LEU A 81 -0.631 5.580 1.822 1.00 0.00 N ATOM 1172 CA LEU A 81 0.297 4.752 2.568 1.00 0.00 C ATOM 1173 C LEU A 81 0.504 5.410 3.929 1.00 0.00 C ATOM 1174 O LEU A 81 0.616 6.630 4.027 1.00 0.00 O ATOM 1175 CB LEU A 81 1.670 4.719 1.871 1.00 0.00 C ATOM 1176 CG LEU A 81 1.752 4.324 0.391 1.00 0.00 C ATOM 1177 CD1 LEU A 81 0.954 3.076 0.016 1.00 0.00 C ATOM 1178 CD2 LEU A 81 1.423 5.483 -0.532 1.00 0.00 C ATOM 0 H LEU A 81 -0.252 6.511 1.648 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.102 3.741 2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.111 5.711 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.304 4.030 2.429 1.00 0.00 H new ATOM 0 HG LEU A 81 2.798 4.054 0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.072 2.875 -1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.320 2.224 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.100 3.238 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.495 5.154 -1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.410 5.832 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.128 6.297 -0.360 1.00 0.00 H new ATOM 1189 N SER A 82 0.642 4.598 4.964 1.00 0.00 N ATOM 1190 CA SER A 82 0.781 4.977 6.334 1.00 0.00 C ATOM 1191 C SER A 82 1.987 4.272 6.953 1.00 0.00 C ATOM 1192 O SER A 82 2.389 3.211 6.477 1.00 0.00 O ATOM 1193 CB SER A 82 -0.543 4.616 7.008 1.00 0.00 C ATOM 1194 OG SER A 82 -0.870 3.286 7.012 1.00 0.00 O ATOM 0 H SER A 82 0.659 3.585 4.845 1.00 0.00 H new ATOM 0 HA SER A 82 0.974 6.043 6.459 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.510 4.965 8.040 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.343 5.165 6.511 1.00 0.00 H new ATOM 0 HG SER A 82 -1.145 3.014 6.112 1.00 0.00 H new ATOM 1199 N SER A 83 2.529 4.800 8.048 1.00 0.00 N ATOM 1200 CA SER A 83 3.517 4.118 8.895 1.00 0.00 C ATOM 1201 C SER A 83 4.788 3.634 8.164 1.00 0.00 C ATOM 1202 O SER A 83 5.485 2.731 8.641 1.00 0.00 O ATOM 1203 CB SER A 83 2.779 3.008 9.656 1.00 0.00 C ATOM 1204 OG SER A 83 2.037 3.599 10.714 1.00 0.00 O ATOM 0 H SER A 83 2.291 5.734 8.382 1.00 0.00 H new ATOM 0 HA SER A 83 3.934 4.842 9.595 1.00 0.00 H new ATOM 0 HB2 SER A 83 2.113 2.467 8.984 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.491 2.283 10.052 1.00 0.00 H new ATOM 0 HG SER A 83 1.843 4.534 10.495 1.00 0.00 H new ATOM 1209 N LEU A 84 5.114 4.241 7.019 1.00 0.00 N ATOM 1210 CA LEU A 84 6.299 3.960 6.213 1.00 0.00 C ATOM 1211 C LEU A 84 7.550 4.180 7.048 1.00 0.00 C ATOM 1212 O LEU A 84 7.711 5.237 7.658 1.00 0.00 O ATOM 1213 CB LEU A 84 6.308 4.879 4.979 1.00 0.00 C ATOM 1214 CG LEU A 84 5.322 4.417 3.888 1.00 0.00 C ATOM 1215 CD1 LEU A 84 4.821 5.609 3.081 1.00 0.00 C ATOM 1216 CD2 LEU A 84 5.968 3.425 2.921 1.00 0.00 C ATOM 0 H LEU A 84 4.531 4.973 6.613 1.00 0.00 H new ATOM 0 HA LEU A 84 6.280 2.922 5.881 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.056 5.894 5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.315 4.912 4.563 1.00 0.00 H new ATOM 0 HG LEU A 84 4.494 3.928 4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.126 5.264 2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.312 6.309 3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.666 6.108 2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.240 3.124 2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.821 3.896 2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.304 2.546 3.472 1.00 0.00 H new ATOM 1227 N LYS A 85 8.455 3.198 7.069 1.00 0.00 N ATOM 1228 CA LYS A 85 9.739 3.372 7.731 1.00 0.00 C ATOM 1229 C LYS A 85 10.523 4.436 7.037 1.00 0.00 C ATOM 1230 O LYS A 85 10.340 4.703 5.846 1.00 0.00 O ATOM 1231 CB LYS A 85 10.572 2.097 7.805 1.00 0.00 C ATOM 1232 CG LYS A 85 9.773 0.981 8.441 1.00 0.00 C ATOM 1233 CD LYS A 85 10.721 -0.117 8.903 1.00 0.00 C ATOM 1234 CE LYS A 85 9.805 -1.239 9.344 1.00 0.00 C ATOM 1235 NZ LYS A 85 10.148 -1.780 10.666 1.00 0.00 N ATOM 0 H LYS A 85 8.319 2.284 6.638 1.00 0.00 H new ATOM 0 HA LYS A 85 9.516 3.659 8.759 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.887 1.802 6.804 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.478 2.280 8.383 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.202 1.364 9.287 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.054 0.580 7.726 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.383 -0.436 8.098 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.356 0.223 9.721 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.778 -0.875 9.363 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.845 -2.042 8.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.486 -2.544 10.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.118 -2.156 10.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.084 -1.024 11.378 1.00 0.00 H new ATOM 1245 N GLU A 86 11.511 4.927 7.766 1.00 0.00 N ATOM 1246 CA GLU A 86 12.346 5.979 7.207 1.00 0.00 C ATOM 1247 C GLU A 86 13.079 5.430 5.988 1.00 0.00 C ATOM 1248 O GLU A 86 13.225 6.105 4.968 1.00 0.00 O ATOM 1249 CB GLU A 86 13.373 6.525 8.206 1.00 0.00 C ATOM 1250 CG GLU A 86 13.807 7.909 7.714 1.00 0.00 C ATOM 1251 CD GLU A 86 15.123 8.393 8.301 1.00 0.00 C ATOM 1252 OE1 GLU A 86 15.144 8.731 9.505 1.00 0.00 O ATOM 1253 OE2 GLU A 86 16.086 8.533 7.518 1.00 0.00 O ATOM 0 H GLU A 86 11.750 4.629 8.712 1.00 0.00 H new ATOM 0 HA GLU A 86 11.690 6.807 6.938 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.939 6.592 9.204 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.231 5.857 8.276 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.893 7.886 6.628 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.026 8.630 7.957 1.00 0.00 H new ATOM 1258 N SER A 87 13.490 4.166 6.086 1.00 0.00 N ATOM 1259 CA SER A 87 14.314 3.551 5.056 1.00 0.00 C ATOM 1260 C SER A 87 13.514 3.269 3.783 1.00 0.00 C ATOM 1261 O SER A 87 14.109 3.031 2.739 1.00 0.00 O ATOM 1262 CB SER A 87 15.017 2.297 5.593 1.00 0.00 C ATOM 1263 OG SER A 87 16.407 2.390 5.335 1.00 0.00 O ATOM 0 H SER A 87 13.264 3.552 6.869 1.00 0.00 H new ATOM 0 HA SER A 87 15.091 4.264 4.778 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.841 2.198 6.664 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.607 1.405 5.119 1.00 0.00 H new ATOM 0 HG SER A 87 16.858 1.591 5.679 1.00 0.00 H new ATOM 1268 N ILE A 88 12.185 3.362 3.841 1.00 0.00 N ATOM 1269 CA ILE A 88 11.296 3.105 2.730 1.00 0.00 C ATOM 1270 C ILE A 88 10.797 4.452 2.222 1.00 0.00 C ATOM 1271 O ILE A 88 10.719 4.684 1.020 1.00 0.00 O ATOM 1272 CB ILE A 88 10.143 2.197 3.195 1.00 0.00 C ATOM 1273 CG1 ILE A 88 10.600 0.925 3.944 1.00 0.00 C ATOM 1274 CG2 ILE A 88 9.308 1.850 1.961 1.00 0.00 C ATOM 1275 CD1 ILE A 88 11.508 -0.026 3.169 1.00 0.00 C ATOM 0 H ILE A 88 11.692 3.627 4.693 1.00 0.00 H new ATOM 0 HA ILE A 88 11.805 2.585 1.918 1.00 0.00 H new ATOM 0 HB ILE A 88 9.553 2.741 3.933 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.120 1.231 4.852 1.00 0.00 H new ATOM 0 HG13 ILE A 88 9.713 0.374 4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.479 1.205 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 88 8.917 2.766 1.517 1.00 0.00 H new ATOM 0 HG23 ILE A 88 9.932 1.331 1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 88 11.762 -0.880 3.797 1.00 0.00 H new ATOM 0 HD12 ILE A 88 10.991 -0.374 2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.420 0.496 2.881 1.00 0.00 H new ATOM 1286 N SER A 89 10.517 5.381 3.128 1.00 0.00 N ATOM 1287 CA SER A 89 10.044 6.694 2.763 1.00 0.00 C ATOM 1288 C SER A 89 11.138 7.405 1.942 1.00 0.00 C ATOM 1289 O SER A 89 10.883 7.908 0.845 1.00 0.00 O ATOM 1290 CB SER A 89 9.628 7.463 4.022 1.00 0.00 C ATOM 1291 OG SER A 89 8.840 8.584 3.688 1.00 0.00 O ATOM 0 H SER A 89 10.614 5.237 4.133 1.00 0.00 H new ATOM 0 HA SER A 89 9.155 6.633 2.135 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.069 6.805 4.687 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.516 7.786 4.566 1.00 0.00 H new ATOM 0 HG SER A 89 8.584 9.059 4.506 1.00 0.00 H new ATOM 1296 N ARG A 90 12.399 7.336 2.402 1.00 0.00 N ATOM 1297 CA ARG A 90 13.546 7.841 1.646 1.00 0.00 C ATOM 1298 C ARG A 90 13.652 7.190 0.274 1.00 0.00 C ATOM 1299 O ARG A 90 14.077 7.856 -0.662 1.00 0.00 O ATOM 1300 CB ARG A 90 14.844 7.668 2.435 1.00 0.00 C ATOM 1301 CG ARG A 90 15.493 6.295 2.227 1.00 0.00 C ATOM 1302 CD ARG A 90 16.541 6.049 3.280 1.00 0.00 C ATOM 1303 NE ARG A 90 17.742 6.889 3.107 1.00 0.00 N ATOM 1304 CZ ARG A 90 18.150 7.874 3.921 1.00 0.00 C ATOM 1305 NH1 ARG A 90 17.518 8.147 5.058 1.00 0.00 N ATOM 1306 NH2 ARG A 90 19.207 8.608 3.592 1.00 0.00 N ATOM 0 H ARG A 90 12.646 6.930 3.304 1.00 0.00 H new ATOM 0 HA ARG A 90 13.384 8.907 1.488 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.549 8.445 2.139 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.639 7.810 3.496 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.733 5.515 2.271 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.944 6.244 1.236 1.00 0.00 H new ATOM 0 HD2 ARG A 90 16.111 6.238 4.264 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.832 4.999 3.256 1.00 0.00 H new ATOM 0 HE ARG A 90 18.319 6.702 2.287 1.00 0.00 H new ATOM 0 HH11 ARG A 90 16.700 7.601 5.331 1.00 0.00 H new ATOM 0 HH12 ARG A 90 17.851 8.902 5.658 1.00 0.00 H new ATOM 0 HH21 ARG A 90 19.706 8.422 2.722 1.00 0.00 H new ATOM 0 HH22 ARG A 90 19.519 9.358 4.209 1.00 0.00 H new ATOM 1317 N ILE A 91 13.334 5.897 0.176 1.00 0.00 N ATOM 1318 CA ILE A 91 13.447 5.122 -1.042 1.00 0.00 C ATOM 1319 C ILE A 91 12.456 5.734 -2.025 1.00 0.00 C ATOM 1320 O ILE A 91 12.841 6.085 -3.135 1.00 0.00 O ATOM 1321 CB ILE A 91 13.176 3.623 -0.736 1.00 0.00 C ATOM 1322 CG1 ILE A 91 14.510 2.880 -0.579 1.00 0.00 C ATOM 1323 CG2 ILE A 91 12.251 2.932 -1.755 1.00 0.00 C ATOM 1324 CD1 ILE A 91 14.331 1.426 -0.130 1.00 0.00 C ATOM 0 H ILE A 91 12.983 5.355 0.966 1.00 0.00 H new ATOM 0 HA ILE A 91 14.446 5.153 -1.477 1.00 0.00 H new ATOM 0 HB ILE A 91 12.626 3.583 0.204 1.00 0.00 H new ATOM 0 HG12 ILE A 91 15.045 2.899 -1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 91 15.130 3.406 0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 91 12.112 1.889 -1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.285 3.436 -1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 91 12.701 2.981 -2.747 1.00 0.00 H new ATOM 0 HD11 ILE A 91 15.308 0.951 -0.036 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.822 1.403 0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 91 13.736 0.888 -0.868 1.00 0.00 H new ATOM 1335 N LEU A 92 11.199 5.914 -1.600 1.00 0.00 N ATOM 1336 CA LEU A 92 10.137 6.463 -2.424 1.00 0.00 C ATOM 1337 C LEU A 92 10.595 7.818 -2.930 1.00 0.00 C ATOM 1338 O LEU A 92 10.638 8.025 -4.138 1.00 0.00 O ATOM 1339 CB LEU A 92 8.815 6.552 -1.649 1.00 0.00 C ATOM 1340 CG LEU A 92 8.261 5.159 -1.289 1.00 0.00 C ATOM 1341 CD1 LEU A 92 7.195 5.295 -0.201 1.00 0.00 C ATOM 1342 CD2 LEU A 92 7.688 4.407 -2.500 1.00 0.00 C ATOM 0 H LEU A 92 10.896 5.675 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 92 9.940 5.806 -3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.968 7.128 -0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.080 7.091 -2.247 1.00 0.00 H new ATOM 0 HG LEU A 92 9.099 4.566 -0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.805 4.309 0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.637 5.749 0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.383 5.924 -0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.314 3.434 -2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.872 4.985 -2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.471 4.268 -3.246 1.00 0.00 H new ATOM 1353 N LYS A 93 11.032 8.707 -2.039 1.00 0.00 N ATOM 1354 CA LYS A 93 11.535 10.019 -2.386 1.00 0.00 C ATOM 1355 C LYS A 93 12.659 9.928 -3.420 1.00 0.00 C ATOM 1356 O LYS A 93 12.670 10.680 -4.398 1.00 0.00 O ATOM 1357 CB LYS A 93 11.977 10.633 -1.058 1.00 0.00 C ATOM 1358 CG LYS A 93 12.752 11.930 -1.214 1.00 0.00 C ATOM 1359 CD LYS A 93 11.999 13.206 -0.830 1.00 0.00 C ATOM 1360 CE LYS A 93 12.038 13.365 0.690 1.00 0.00 C ATOM 1361 NZ LYS A 93 11.551 14.683 1.134 1.00 0.00 N ATOM 0 H LYS A 93 11.043 8.523 -1.036 1.00 0.00 H new ATOM 0 HA LYS A 93 10.784 10.646 -2.867 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.097 10.818 -0.442 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.595 9.913 -0.522 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.655 11.867 -0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.072 12.018 -2.252 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.454 14.072 -1.311 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.967 13.154 -1.177 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.432 12.584 1.149 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.060 13.222 1.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.598 14.739 2.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.144 15.430 0.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.566 14.811 0.825 1.00 0.00 H new ATOM 1371 N LEU A 94 13.618 9.025 -3.222 1.00 0.00 N ATOM 1372 CA LEU A 94 14.704 8.764 -4.156 1.00 0.00 C ATOM 1373 C LEU A 94 14.108 8.455 -5.527 1.00 0.00 C ATOM 1374 O LEU A 94 14.327 9.224 -6.464 1.00 0.00 O ATOM 1375 CB LEU A 94 15.649 7.689 -3.580 1.00 0.00 C ATOM 1376 CG LEU A 94 16.626 8.295 -2.552 1.00 0.00 C ATOM 1377 CD1 LEU A 94 17.308 7.219 -1.708 1.00 0.00 C ATOM 1378 CD2 LEU A 94 17.695 9.147 -3.235 1.00 0.00 C ATOM 0 H LEU A 94 13.659 8.442 -2.386 1.00 0.00 H new ATOM 0 HA LEU A 94 15.340 9.638 -4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 94 15.062 6.902 -3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 94 16.212 7.225 -4.390 1.00 0.00 H new ATOM 0 HG LEU A 94 16.027 8.926 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 94 17.987 7.690 -0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 94 16.553 6.649 -1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 94 17.871 6.549 -2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 94 18.367 9.559 -2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 94 18.264 8.529 -3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 94 17.218 9.961 -3.780 1.00 0.00 H new ATOM 1389 N THR A 95 13.238 7.451 -5.631 1.00 0.00 N ATOM 1390 CA THR A 95 12.498 7.093 -6.845 1.00 0.00 C ATOM 1391 C THR A 95 11.424 8.083 -7.303 1.00 0.00 C ATOM 1392 O THR A 95 10.662 7.790 -8.219 1.00 0.00 O ATOM 1393 CB THR A 95 11.949 5.663 -6.692 1.00 0.00 C ATOM 1394 OG1 THR A 95 11.307 5.488 -5.446 1.00 0.00 O ATOM 1395 CG2 THR A 95 13.076 4.633 -6.792 1.00 0.00 C ATOM 0 H THR A 95 13.020 6.841 -4.844 1.00 0.00 H new ATOM 0 HA THR A 95 13.218 7.142 -7.662 1.00 0.00 H new ATOM 0 HB THR A 95 11.231 5.515 -7.499 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.066 6.363 -5.077 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.663 3.630 -6.681 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.563 4.719 -7.763 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.806 4.814 -6.003 1.00 0.00 H new ATOM 1403 N HIS A 96 11.367 9.268 -6.701 1.00 0.00 N ATOM 1404 CA HIS A 96 10.374 10.301 -6.952 1.00 0.00 C ATOM 1405 C HIS A 96 8.942 9.800 -6.730 1.00 0.00 C ATOM 1406 O HIS A 96 7.997 10.373 -7.250 1.00 0.00 O ATOM 1407 CB HIS A 96 10.488 10.936 -8.352 1.00 0.00 C ATOM 1408 CG HIS A 96 11.885 11.251 -8.859 1.00 0.00 C ATOM 1409 ND1 HIS A 96 13.091 11.170 -8.170 1.00 0.00 N ATOM 1410 CD2 HIS A 96 12.176 11.540 -10.161 1.00 0.00 C ATOM 1411 CE1 HIS A 96 14.084 11.401 -9.047 1.00 0.00 C ATOM 1412 NE2 HIS A 96 13.550 11.613 -10.264 1.00 0.00 N ATOM 0 H HIS A 96 12.046 9.544 -5.992 1.00 0.00 H new ATOM 0 HA HIS A 96 10.594 11.077 -6.219 1.00 0.00 H new ATOM 0 HB2 HIS A 96 10.012 10.265 -9.067 1.00 0.00 H new ATOM 0 HB3 HIS A 96 9.912 11.861 -8.351 1.00 0.00 H new ATOM 0 HD1 HIS A 96 13.202 10.971 -7.176 1.00 0.00 H new ATOM 0 HD2 HIS A 96 11.464 11.684 -10.960 1.00 0.00 H new ATOM 0 HE1 HIS A 96 15.138 11.414 -8.813 1.00 0.00 H new ATOM 1420 N LEU A 97 8.760 8.711 -6.000 1.00 0.00 N ATOM 1421 CA LEU A 97 7.476 8.107 -5.710 1.00 0.00 C ATOM 1422 C LEU A 97 6.722 8.943 -4.681 1.00 0.00 C ATOM 1423 O LEU A 97 5.499 8.972 -4.710 1.00 0.00 O ATOM 1424 CB LEU A 97 7.736 6.679 -5.201 1.00 0.00 C ATOM 1425 CG LEU A 97 7.489 5.538 -6.198 1.00 0.00 C ATOM 1426 CD1 LEU A 97 6.002 5.278 -6.275 1.00 0.00 C ATOM 1427 CD2 LEU A 97 8.036 5.729 -7.614 1.00 0.00 C ATOM 0 H LEU A 97 9.538 8.205 -5.577 1.00 0.00 H new ATOM 0 HA LEU A 97 6.853 8.066 -6.604 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.771 6.620 -4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.108 6.509 -4.327 1.00 0.00 H new ATOM 0 HG LEU A 97 8.053 4.694 -5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.810 4.469 -6.980 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.630 4.996 -5.290 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.492 6.181 -6.611 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.795 4.854 -8.218 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.585 6.614 -8.062 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.118 5.855 -7.572 1.00 0.00 H new ATOM 1438 N ASP A 98 7.407 9.656 -3.784 1.00 0.00 N ATOM 1439 CA ASP A 98 6.707 10.450 -2.775 1.00 0.00 C ATOM 1440 C ASP A 98 5.944 11.617 -3.413 1.00 0.00 C ATOM 1441 O ASP A 98 4.887 11.997 -2.913 1.00 0.00 O ATOM 1442 CB ASP A 98 7.671 10.978 -1.701 1.00 0.00 C ATOM 1443 CG ASP A 98 8.328 12.299 -2.117 1.00 0.00 C ATOM 1444 OD1 ASP A 98 9.098 12.269 -3.099 1.00 0.00 O ATOM 1445 OD2 ASP A 98 8.024 13.355 -1.511 1.00 0.00 O ATOM 0 H ASP A 98 8.425 9.700 -3.736 1.00 0.00 H new ATOM 0 HA ASP A 98 5.988 9.786 -2.294 1.00 0.00 H new ATOM 0 HB2 ASP A 98 7.129 11.122 -0.766 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.444 10.233 -1.510 1.00 0.00 H new ATOM 1449 N LYS A 99 6.425 12.183 -4.528 1.00 0.00 N ATOM 1450 CA LYS A 99 5.740 13.263 -5.230 1.00 0.00 C ATOM 1451 C LYS A 99 4.491 12.801 -5.986 1.00 0.00 C ATOM 1452 O LYS A 99 3.853 13.649 -6.615 1.00 0.00 O ATOM 1453 CB LYS A 99 6.706 14.052 -6.126 1.00 0.00 C ATOM 1454 CG LYS A 99 7.334 13.209 -7.223 1.00 0.00 C ATOM 1455 CD LYS A 99 7.640 13.966 -8.528 1.00 0.00 C ATOM 1456 CE LYS A 99 6.368 14.302 -9.329 1.00 0.00 C ATOM 1457 NZ LYS A 99 6.654 14.918 -10.645 1.00 0.00 N ATOM 0 H LYS A 99 7.302 11.900 -4.965 1.00 0.00 H new ATOM 0 HA LYS A 99 5.375 13.944 -4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.170 14.886 -6.580 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.496 14.479 -5.509 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.261 12.778 -6.844 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.666 12.378 -7.450 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.171 14.888 -8.293 1.00 0.00 H new ATOM 0 HD3 LYS A 99 8.306 13.363 -9.146 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.790 13.390 -9.480 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.747 14.981 -8.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.759 15.121 -11.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.181 15.804 -10.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.223 14.263 -11.219 1.00 0.00 H new ATOM 1467 N ILE A 100 4.132 11.518 -5.950 1.00 0.00 N ATOM 1468 CA ILE A 100 3.062 10.944 -6.749 1.00 0.00 C ATOM 1469 C ILE A 100 2.176 9.990 -5.932 1.00 0.00 C ATOM 1470 O ILE A 100 1.165 9.521 -6.457 1.00 0.00 O ATOM 1471 CB ILE A 100 3.675 10.267 -7.996 1.00 0.00 C ATOM 1472 CG1 ILE A 100 4.829 9.325 -7.655 1.00 0.00 C ATOM 1473 CG2 ILE A 100 4.171 11.285 -9.040 1.00 0.00 C ATOM 1474 CD1 ILE A 100 5.405 8.594 -8.865 1.00 0.00 C ATOM 0 H ILE A 100 4.592 10.836 -5.347 1.00 0.00 H new ATOM 0 HA ILE A 100 2.395 11.740 -7.078 1.00 0.00 H new ATOM 0 HB ILE A 100 2.856 9.686 -8.420 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.623 9.897 -7.176 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.483 8.590 -6.929 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.592 10.754 -9.894 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.336 11.902 -9.372 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.937 11.920 -8.594 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.219 7.944 -8.544 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.625 7.994 -9.333 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.783 9.321 -9.584 1.00 0.00 H new ATOM 1485 N PHE A 101 2.529 9.709 -4.676 1.00 0.00 N ATOM 1486 CA PHE A 101 1.835 8.840 -3.724 1.00 0.00 C ATOM 1487 C PHE A 101 1.313 9.702 -2.560 1.00 0.00 C ATOM 1488 O PHE A 101 1.398 10.937 -2.621 1.00 0.00 O ATOM 1489 CB PHE A 101 2.833 7.772 -3.235 1.00 0.00 C ATOM 1490 CG PHE A 101 2.961 6.500 -4.054 1.00 0.00 C ATOM 1491 CD1 PHE A 101 2.798 6.482 -5.451 1.00 0.00 C ATOM 1492 CD2 PHE A 101 3.279 5.299 -3.398 1.00 0.00 C ATOM 1493 CE1 PHE A 101 2.923 5.298 -6.176 1.00 0.00 C ATOM 1494 CE2 PHE A 101 3.397 4.101 -4.111 1.00 0.00 C ATOM 1495 CZ PHE A 101 3.213 4.120 -5.496 1.00 0.00 C ATOM 0 H PHE A 101 3.371 10.114 -4.267 1.00 0.00 H new ATOM 0 HA PHE A 101 0.984 8.339 -4.184 1.00 0.00 H new ATOM 0 HB2 PHE A 101 3.818 8.235 -3.177 1.00 0.00 H new ATOM 0 HB3 PHE A 101 2.553 7.491 -2.220 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.572 7.401 -5.971 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.434 5.301 -2.329 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.797 5.295 -7.249 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.626 3.178 -3.600 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.298 3.198 -6.052 1.00 0.00 H new ATOM 1504 N LYS A 102 0.811 9.090 -1.479 1.00 0.00 N ATOM 1505 CA LYS A 102 0.393 9.842 -0.296 1.00 0.00 C ATOM 1506 C LYS A 102 0.893 9.132 0.931 1.00 0.00 C ATOM 1507 O LYS A 102 0.685 7.932 1.045 1.00 0.00 O ATOM 1508 CB LYS A 102 -1.128 10.035 -0.288 1.00 0.00 C ATOM 1509 CG LYS A 102 -1.560 10.995 0.831 1.00 0.00 C ATOM 1510 CD LYS A 102 -2.941 11.625 0.584 1.00 0.00 C ATOM 1511 CE LYS A 102 -3.736 11.638 1.894 1.00 0.00 C ATOM 1512 NZ LYS A 102 -5.084 12.231 1.755 1.00 0.00 N ATOM 0 H LYS A 102 0.686 8.081 -1.403 1.00 0.00 H new ATOM 0 HA LYS A 102 0.827 10.842 -0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.453 10.426 -1.252 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -1.619 9.071 -0.154 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.577 10.456 1.778 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.818 11.787 0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.827 12.641 0.205 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.480 11.060 -0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.832 10.617 2.263 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.177 12.196 2.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.569 12.210 2.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.998 13.216 1.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.634 11.685 1.061 1.00 0.00 H new ATOM 1522 N ILE A 103 1.571 9.863 1.798 1.00 0.00 N ATOM 1523 CA ILE A 103 2.309 9.336 2.915 1.00 0.00 C ATOM 1524 C ILE A 103 1.844 10.072 4.157 1.00 0.00 C ATOM 1525 O ILE A 103 2.053 11.279 4.278 1.00 0.00 O ATOM 1526 CB ILE A 103 3.836 9.449 2.682 1.00 0.00 C ATOM 1527 CG1 ILE A 103 4.327 8.618 1.469 1.00 0.00 C ATOM 1528 CG2 ILE A 103 4.571 9.003 3.959 1.00 0.00 C ATOM 1529 CD1 ILE A 103 4.367 9.396 0.147 1.00 0.00 C ATOM 0 H ILE A 103 1.620 10.880 1.734 1.00 0.00 H new ATOM 0 HA ILE A 103 2.117 8.270 3.039 1.00 0.00 H new ATOM 0 HB ILE A 103 4.058 10.491 2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.326 8.238 1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.676 7.752 1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 103 5.647 9.079 3.805 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.277 9.644 4.790 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.309 7.970 4.187 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.721 8.742 -0.650 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.366 9.753 -0.095 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.042 10.246 0.245 1.00 0.00 H new ATOM 1540 N THR A 104 1.266 9.336 5.087 1.00 0.00 N ATOM 1541 CA THR A 104 0.903 9.807 6.408 1.00 0.00 C ATOM 1542 C THR A 104 1.472 8.832 7.443 1.00 0.00 C ATOM 1543 O THR A 104 2.066 7.802 7.125 1.00 0.00 O ATOM 1544 CB THR A 104 -0.605 10.128 6.438 1.00 0.00 C ATOM 1545 OG1 THR A 104 -1.393 9.237 5.672 1.00 0.00 O ATOM 1546 CG2 THR A 104 -0.905 11.487 5.805 1.00 0.00 C ATOM 0 H THR A 104 1.028 8.356 4.936 1.00 0.00 H new ATOM 0 HA THR A 104 1.353 10.761 6.682 1.00 0.00 H new ATOM 0 HB THR A 104 -0.849 10.073 7.499 1.00 0.00 H new ATOM 0 HG1 THR A 104 -1.988 9.749 5.084 1.00 0.00 H new ATOM 0 HG21 THR A 104 -1.977 11.678 5.845 1.00 0.00 H new ATOM 0 HG22 THR A 104 -0.377 12.268 6.352 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.575 11.485 4.766 1.00 0.00 H new ATOM 1554 N ASP A 105 1.327 9.164 8.713 1.00 0.00 N ATOM 1555 CA ASP A 105 2.065 8.558 9.813 1.00 0.00 C ATOM 1556 C ASP A 105 1.180 7.463 10.356 1.00 0.00 C ATOM 1557 O ASP A 105 1.453 6.266 10.241 1.00 0.00 O ATOM 1558 CB ASP A 105 2.343 9.613 10.906 1.00 0.00 C ATOM 1559 CG ASP A 105 3.828 9.959 11.049 1.00 0.00 C ATOM 1560 OD1 ASP A 105 4.536 9.981 10.019 1.00 0.00 O ATOM 1561 OD2 ASP A 105 4.279 10.224 12.184 1.00 0.00 O ATOM 0 H ASP A 105 0.673 9.884 9.020 1.00 0.00 H new ATOM 0 HA ASP A 105 3.027 8.165 9.484 1.00 0.00 H new ATOM 0 HB2 ASP A 105 1.786 10.521 10.675 1.00 0.00 H new ATOM 0 HB3 ASP A 105 1.969 9.244 11.861 1.00 0.00 H new ATOM 1565 N THR A 106 0.045 7.903 10.875 1.00 0.00 N ATOM 1566 CA THR A 106 -0.941 7.019 11.452 1.00 0.00 C ATOM 1567 C THR A 106 -1.918 6.703 10.342 1.00 0.00 C ATOM 1568 O THR A 106 -2.314 7.598 9.595 1.00 0.00 O ATOM 1569 CB THR A 106 -1.622 7.667 12.667 1.00 0.00 C ATOM 1570 OG1 THR A 106 -2.204 8.916 12.354 1.00 0.00 O ATOM 1571 CG2 THR A 106 -0.643 7.873 13.826 1.00 0.00 C ATOM 0 H THR A 106 -0.214 8.889 10.905 1.00 0.00 H new ATOM 0 HA THR A 106 -0.489 6.103 11.833 1.00 0.00 H new ATOM 0 HB THR A 106 -2.405 6.970 12.965 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.627 9.290 13.155 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.164 8.333 14.665 1.00 0.00 H new ATOM 0 HG22 THR A 106 -0.237 6.910 14.135 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.171 8.523 13.504 1.00 0.00 H new ATOM 1579 N VAL A 107 -2.333 5.447 10.233 1.00 0.00 N ATOM 1580 CA VAL A 107 -3.439 5.026 9.378 1.00 0.00 C ATOM 1581 C VAL A 107 -4.672 5.923 9.626 1.00 0.00 C ATOM 1582 O VAL A 107 -5.491 6.136 8.733 1.00 0.00 O ATOM 1583 CB VAL A 107 -3.699 3.554 9.733 1.00 0.00 C ATOM 1584 CG1 VAL A 107 -5.065 3.041 9.319 1.00 0.00 C ATOM 1585 CG2 VAL A 107 -2.654 2.566 9.231 1.00 0.00 C ATOM 0 H VAL A 107 -1.903 4.677 10.746 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.211 5.123 8.317 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.640 3.592 10.821 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -5.164 1.995 9.608 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.839 3.628 9.813 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.175 3.131 8.238 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.932 1.557 9.535 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.599 2.615 8.143 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.682 2.818 9.655 1.00 0.00 H new ATOM 1595 N GLU A 108 -4.795 6.468 10.834 1.00 0.00 N ATOM 1596 CA GLU A 108 -5.756 7.503 11.203 1.00 0.00 C ATOM 1597 C GLU A 108 -5.659 8.759 10.333 1.00 0.00 C ATOM 1598 O GLU A 108 -6.685 9.177 9.801 1.00 0.00 O ATOM 1599 CB GLU A 108 -5.598 7.855 12.687 1.00 0.00 C ATOM 1600 CG GLU A 108 -6.591 7.049 13.523 1.00 0.00 C ATOM 1601 CD GLU A 108 -7.960 7.729 13.590 1.00 0.00 C ATOM 1602 OE1 GLU A 108 -8.573 8.023 12.541 1.00 0.00 O ATOM 1603 OE2 GLU A 108 -8.463 7.943 14.719 1.00 0.00 O ATOM 0 H GLU A 108 -4.202 6.188 11.615 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.750 7.092 11.026 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.580 7.644 13.013 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -5.766 8.922 12.836 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -6.701 6.052 13.096 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.198 6.922 14.532 1.00 0.00 H new ATOM 1608 N GLU A 109 -4.474 9.357 10.157 1.00 0.00 N ATOM 1609 CA GLU A 109 -4.338 10.620 9.440 1.00 0.00 C ATOM 1610 C GLU A 109 -4.646 10.468 7.945 1.00 0.00 C ATOM 1611 O GLU A 109 -4.850 11.473 7.262 1.00 0.00 O ATOM 1612 CB GLU A 109 -2.909 11.170 9.626 1.00 0.00 C ATOM 1613 CG GLU A 109 -2.759 12.678 9.360 1.00 0.00 C ATOM 1614 CD GLU A 109 -3.437 13.546 10.425 1.00 0.00 C ATOM 1615 OE1 GLU A 109 -4.684 13.548 10.547 1.00 0.00 O ATOM 1616 OE2 GLU A 109 -2.726 14.240 11.189 1.00 0.00 O ATOM 0 H GLU A 109 -3.593 8.979 10.506 1.00 0.00 H new ATOM 0 HA GLU A 109 -5.064 11.318 9.856 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.584 10.961 10.645 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.237 10.629 8.960 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -1.699 12.929 9.315 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.184 12.913 8.384 1.00 0.00 H new ATOM 1621 N ALA A 110 -4.648 9.237 7.426 1.00 0.00 N ATOM 1622 CA ALA A 110 -4.859 8.948 6.021 1.00 0.00 C ATOM 1623 C ALA A 110 -6.302 9.256 5.642 1.00 0.00 C ATOM 1624 O ALA A 110 -6.520 10.220 4.875 1.00 0.00 O ATOM 1625 CB ALA A 110 -4.508 7.490 5.738 1.00 0.00 C ATOM 0 H ALA A 110 -4.499 8.401 7.991 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.209 9.578 5.413 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.668 7.276 4.681 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.463 7.312 5.991 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.143 6.840 6.340 1.00 0.00 H new