USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 594 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 SER OG : rot -25:sc= 0.448 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.436 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN :FLIP amide:sc= -1.82 F(o=-2.6,f=-1.8) USER MOD Single : A 17 SER OG : rot -55:sc= 0.025 USER MOD Single : A 22 LYS NZ :NH3+ -152:sc= -1.29 (180deg=-2.28!) USER MOD Single : A 24 GLN :FLIP amide:sc= 0.981 F(o=0.075,f=0.98) USER MOD Single : A 25 MET CE :methyl -140:sc= -0.0132 (180deg=-0.118) USER MOD Single : A 26 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.9!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -3.71 K(o=-3.7,f=-11!) USER MOD Single : A 30 THR OG1 : rot -42:sc= 0.668 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.017) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0632 USER MOD Single : A 58 GLN : amide:sc= -0.662 X(o=-0.66,f=-0.27) USER MOD Single : A 62 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0097) USER MOD Single : A 64 ASN :FLIP amide:sc= -5.57! C(o=-8.1!,f=-5.6!) USER MOD Single : A 65 THR OG1 : rot 154:sc= -0.559 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0575) USER MOD Single : A 76 ASN : amide:sc= -0.252 K(o=-0.25,f=-2) USER MOD Single : A 77 ASN : amide:sc= -3.64 K(o=-3.6,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 -0.002 6.076 0.013 1.00 0.00 N ATOM 43 CA SER A 3 0.433 4.905 0.766 1.00 0.00 C ATOM 44 C SER A 3 -0.607 4.515 1.812 1.00 0.00 C ATOM 45 O SER A 3 -1.243 3.465 1.712 1.00 0.00 O ATOM 46 CB SER A 3 1.777 5.178 1.443 1.00 0.00 C ATOM 47 OG SER A 3 1.862 6.522 1.886 1.00 0.00 O ATOM 0 HA SER A 3 0.548 4.076 0.067 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.904 4.504 2.290 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.588 4.970 0.745 1.00 0.00 H new ATOM 0 HG SER A 3 1.269 7.083 1.344 1.00 0.00 H new ATOM 53 N THR A 4 -0.775 5.368 2.817 1.00 0.00 N ATOM 54 CA THR A 4 -1.736 5.114 3.883 1.00 0.00 C ATOM 55 C THR A 4 -3.132 4.876 3.320 1.00 0.00 C ATOM 56 O THR A 4 -3.943 4.172 3.922 1.00 0.00 O ATOM 57 CB THR A 4 -1.790 6.286 4.882 1.00 0.00 C ATOM 58 OG1 THR A 4 -2.522 5.900 6.050 1.00 0.00 O ATOM 59 CG2 THR A 4 -2.441 7.506 4.249 1.00 0.00 C ATOM 0 H THR A 4 -0.258 6.242 2.915 1.00 0.00 H new ATOM 0 HA THR A 4 -1.400 4.217 4.404 1.00 0.00 H new ATOM 0 HB THR A 4 -0.769 6.544 5.163 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.551 6.650 6.681 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.468 8.321 4.973 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.865 7.815 3.377 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.458 7.258 3.943 1.00 0.00 H new ATOM 67 N PHE A 5 -3.406 5.466 2.161 1.00 0.00 N ATOM 68 CA PHE A 5 -4.706 5.319 1.517 1.00 0.00 C ATOM 69 C PHE A 5 -5.123 3.852 1.465 1.00 0.00 C ATOM 70 O PHE A 5 -6.306 3.528 1.575 1.00 0.00 O ATOM 71 CB PHE A 5 -4.666 5.899 0.101 1.00 0.00 C ATOM 72 CG PHE A 5 -5.996 5.874 -0.595 1.00 0.00 C ATOM 73 CD1 PHE A 5 -7.170 6.048 0.120 1.00 0.00 C ATOM 74 CD2 PHE A 5 -6.073 5.677 -1.964 1.00 0.00 C ATOM 75 CE1 PHE A 5 -8.396 6.024 -0.518 1.00 0.00 C ATOM 76 CE2 PHE A 5 -7.296 5.653 -2.608 1.00 0.00 C ATOM 77 CZ PHE A 5 -8.459 5.828 -1.884 1.00 0.00 C ATOM 0 H PHE A 5 -2.745 6.050 1.649 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.440 5.868 2.107 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.309 6.928 0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.944 5.338 -0.492 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.127 6.204 1.188 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.167 5.541 -2.535 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.304 6.158 0.051 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.342 5.498 -3.676 1.00 0.00 H new ATOM 0 HZ PHE A 5 -9.416 5.812 -2.385 1.00 0.00 H new ATOM 87 N ASP A 6 -4.144 2.970 1.297 1.00 0.00 N ATOM 88 CA ASP A 6 -4.409 1.537 1.231 1.00 0.00 C ATOM 89 C ASP A 6 -5.129 1.059 2.488 1.00 0.00 C ATOM 90 O ASP A 6 -6.330 0.789 2.462 1.00 0.00 O ATOM 91 CB ASP A 6 -3.102 0.763 1.051 1.00 0.00 C ATOM 92 CG ASP A 6 -3.319 -0.736 1.004 1.00 0.00 C ATOM 93 OD1 ASP A 6 -4.177 -1.187 0.216 1.00 0.00 O ATOM 94 OD2 ASP A 6 -2.631 -1.460 1.754 1.00 0.00 O ATOM 0 H ASP A 6 -3.160 3.222 1.204 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.054 1.351 0.372 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.616 1.086 0.130 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.425 1.004 1.870 1.00 0.00 H new ATOM 99 N ASP A 7 -4.387 0.956 3.585 1.00 0.00 N ATOM 100 CA ASP A 7 -4.955 0.511 4.852 1.00 0.00 C ATOM 101 C ASP A 7 -6.199 1.320 5.205 1.00 0.00 C ATOM 102 O ASP A 7 -7.105 0.823 5.874 1.00 0.00 O ATOM 103 CB ASP A 7 -3.918 0.632 5.970 1.00 0.00 C ATOM 104 CG ASP A 7 -2.818 -0.404 5.854 1.00 0.00 C ATOM 105 OD1 ASP A 7 -1.952 -0.253 4.967 1.00 0.00 O ATOM 106 OD2 ASP A 7 -2.822 -1.366 6.651 1.00 0.00 O ATOM 0 H ASP A 7 -3.391 1.174 3.622 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.243 -0.535 4.745 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.478 1.629 5.947 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.414 0.525 6.935 1.00 0.00 H new ATOM 111 N ILE A 8 -6.234 2.569 4.752 1.00 0.00 N ATOM 112 CA ILE A 8 -7.367 3.446 5.020 1.00 0.00 C ATOM 113 C ILE A 8 -8.593 3.021 4.219 1.00 0.00 C ATOM 114 O ILE A 8 -9.727 3.150 4.683 1.00 0.00 O ATOM 115 CB ILE A 8 -7.034 4.912 4.688 1.00 0.00 C ATOM 116 CG1 ILE A 8 -6.171 5.525 5.792 1.00 0.00 C ATOM 117 CG2 ILE A 8 -8.312 5.716 4.499 1.00 0.00 C ATOM 118 CD1 ILE A 8 -5.741 6.947 5.505 1.00 0.00 C ATOM 0 H ILE A 8 -5.491 2.996 4.198 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.585 3.363 6.085 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.470 4.938 3.756 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.727 5.504 6.730 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.284 4.907 5.933 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.060 6.750 4.265 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.892 5.290 3.681 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.901 5.685 5.416 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.133 7.317 6.330 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.158 6.972 4.585 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.623 7.578 5.393 1.00 0.00 H new ATOM 130 N LYS A 9 -8.359 2.511 3.015 1.00 0.00 N ATOM 131 CA LYS A 9 -9.443 2.063 2.149 1.00 0.00 C ATOM 132 C LYS A 9 -10.034 0.750 2.653 1.00 0.00 C ATOM 133 O LYS A 9 -11.180 0.416 2.350 1.00 0.00 O ATOM 134 CB LYS A 9 -8.940 1.891 0.714 1.00 0.00 C ATOM 135 CG LYS A 9 -8.501 0.474 0.389 1.00 0.00 C ATOM 136 CD LYS A 9 -7.435 0.455 -0.694 1.00 0.00 C ATOM 137 CE LYS A 9 -8.051 0.348 -2.080 1.00 0.00 C ATOM 138 NZ LYS A 9 -7.155 0.907 -3.130 1.00 0.00 N ATOM 0 H LYS A 9 -7.427 2.397 2.616 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.224 2.823 2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.730 2.185 0.023 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.103 2.569 0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.115 -0.004 1.289 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.362 -0.109 0.063 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.834 1.362 -0.631 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.761 -0.386 -0.528 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.264 -0.698 -2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.004 0.878 -2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.611 0.815 -4.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.972 1.911 -2.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.255 0.385 -3.132 1.00 0.00 H new ATOM 152 N LYS A 10 -9.246 0.009 3.423 1.00 0.00 N ATOM 153 CA LYS A 10 -9.691 -1.267 3.972 1.00 0.00 C ATOM 154 C LYS A 10 -10.581 -1.054 5.192 1.00 0.00 C ATOM 155 O LYS A 10 -11.628 -1.688 5.326 1.00 0.00 O ATOM 156 CB LYS A 10 -8.486 -2.131 4.351 1.00 0.00 C ATOM 157 CG LYS A 10 -7.321 -2.009 3.384 1.00 0.00 C ATOM 158 CD LYS A 10 -6.387 -3.203 3.482 1.00 0.00 C ATOM 159 CE LYS A 10 -6.736 -4.270 2.457 1.00 0.00 C ATOM 160 NZ LYS A 10 -6.210 -3.934 1.105 1.00 0.00 N ATOM 0 H LYS A 10 -8.294 0.270 3.682 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.272 -1.781 3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.149 -1.852 5.349 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.799 -3.174 4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.700 -1.925 2.365 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.767 -1.094 3.594 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.359 -2.875 3.331 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.442 -3.628 4.484 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.328 -5.229 2.777 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.819 -4.385 2.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.469 -4.686 0.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.619 -3.032 0.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.174 -3.849 1.147 1.00 0.00 H new ATOM 174 N ILE A 11 -10.159 -0.157 6.077 1.00 0.00 N ATOM 175 CA ILE A 11 -10.920 0.141 7.284 1.00 0.00 C ATOM 176 C ILE A 11 -12.266 0.771 6.943 1.00 0.00 C ATOM 177 O ILE A 11 -13.283 0.459 7.564 1.00 0.00 O ATOM 178 CB ILE A 11 -10.145 1.088 8.218 1.00 0.00 C ATOM 179 CG1 ILE A 11 -9.725 2.352 7.465 1.00 0.00 C ATOM 180 CG2 ILE A 11 -8.929 0.382 8.798 1.00 0.00 C ATOM 181 CD1 ILE A 11 -8.835 3.270 8.274 1.00 0.00 C ATOM 0 H ILE A 11 -9.295 0.376 5.981 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.084 -0.807 7.796 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.799 1.378 9.040 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.203 2.065 6.552 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.618 2.899 7.163 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.391 1.065 9.456 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.251 -0.491 9.366 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.271 0.066 7.988 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.577 4.145 7.677 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.362 3.587 9.174 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.925 2.740 8.554 1.00 0.00 H new ATOM 193 N ILE A 12 -12.266 1.656 5.953 1.00 0.00 N ATOM 194 CA ILE A 12 -13.488 2.327 5.528 1.00 0.00 C ATOM 195 C ILE A 12 -14.380 1.388 4.723 1.00 0.00 C ATOM 196 O ILE A 12 -15.605 1.492 4.764 1.00 0.00 O ATOM 197 CB ILE A 12 -13.179 3.575 4.680 1.00 0.00 C ATOM 198 CG1 ILE A 12 -12.518 3.172 3.360 1.00 0.00 C ATOM 199 CG2 ILE A 12 -12.287 4.534 5.454 1.00 0.00 C ATOM 200 CD1 ILE A 12 -12.204 4.344 2.458 1.00 0.00 C ATOM 0 H ILE A 12 -11.433 1.925 5.430 1.00 0.00 H new ATOM 0 HA ILE A 12 -14.011 2.633 6.434 1.00 0.00 H new ATOM 0 HB ILE A 12 -14.116 4.083 4.454 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.596 2.632 3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -13.175 2.482 2.830 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -12.078 5.411 4.841 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.792 4.843 6.369 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.351 4.036 5.707 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -11.737 3.983 1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -13.126 4.871 2.212 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.522 5.024 2.969 1.00 0.00 H new ATOM 212 N SER A 13 -13.755 0.469 3.994 1.00 0.00 N ATOM 213 CA SER A 13 -14.492 -0.489 3.177 1.00 0.00 C ATOM 214 C SER A 13 -15.063 -1.612 4.039 1.00 0.00 C ATOM 215 O SER A 13 -15.984 -2.318 3.630 1.00 0.00 O ATOM 216 CB SER A 13 -13.584 -1.074 2.094 1.00 0.00 C ATOM 217 OG SER A 13 -14.220 -2.145 1.419 1.00 0.00 O ATOM 0 H SER A 13 -12.741 0.367 3.952 1.00 0.00 H new ATOM 0 HA SER A 13 -15.319 0.038 2.701 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.318 -0.296 1.379 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.655 -1.424 2.544 1.00 0.00 H new ATOM 0 HG SER A 13 -13.620 -2.501 0.731 1.00 0.00 H new ATOM 223 N LYS A 14 -14.508 -1.770 5.236 1.00 0.00 N ATOM 224 CA LYS A 14 -14.960 -2.805 6.159 1.00 0.00 C ATOM 225 C LYS A 14 -15.812 -2.205 7.273 1.00 0.00 C ATOM 226 O LYS A 14 -16.564 -2.915 7.941 1.00 0.00 O ATOM 227 CB LYS A 14 -13.761 -3.541 6.759 1.00 0.00 C ATOM 228 CG LYS A 14 -14.145 -4.758 7.583 1.00 0.00 C ATOM 229 CD LYS A 14 -13.832 -4.556 9.056 1.00 0.00 C ATOM 230 CE LYS A 14 -12.405 -4.969 9.385 1.00 0.00 C ATOM 231 NZ LYS A 14 -12.279 -5.463 10.784 1.00 0.00 N ATOM 0 H LYS A 14 -13.744 -1.194 5.590 1.00 0.00 H new ATOM 0 HA LYS A 14 -15.571 -3.514 5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.096 -3.853 5.953 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.198 -2.850 7.387 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.209 -4.960 7.461 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.610 -5.633 7.213 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.979 -3.509 9.320 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.529 -5.137 9.660 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.084 -5.749 8.694 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.738 -4.119 9.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.292 -5.734 10.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.561 -4.711 11.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.896 -6.290 10.917 1.00 0.00 H new ATOM 245 N GLN A 15 -15.689 -0.896 7.467 1.00 0.00 N ATOM 246 CA GLN A 15 -16.449 -0.203 8.500 1.00 0.00 C ATOM 247 C GLN A 15 -17.531 0.677 7.882 1.00 0.00 C ATOM 248 O GLN A 15 -18.715 0.340 7.918 1.00 0.00 O ATOM 249 CB GLN A 15 -15.516 0.647 9.365 1.00 0.00 C ATOM 250 CG GLN A 15 -16.232 1.397 10.476 1.00 0.00 C ATOM 251 CD GLN A 15 -17.233 0.530 11.215 1.00 0.00 C ATOM 252 OE1 GLN A 15 -16.827 -0.690 11.548 1.00 0.00 O flip ATOM 253 NE2 GLN A 15 -18.358 0.952 11.483 1.00 0.00 N flip ATOM 0 H GLN A 15 -15.071 -0.295 6.923 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.931 -0.954 9.127 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.755 0.003 9.805 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -14.998 1.365 8.729 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -15.496 1.780 11.184 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -16.747 2.260 10.053 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -18.627 1.896 11.208 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -19.021 0.357 11.980 1.00 0.00 H new ATOM 262 N LEU A 16 -17.117 1.806 7.317 1.00 0.00 N ATOM 263 CA LEU A 16 -18.052 2.735 6.691 1.00 0.00 C ATOM 264 C LEU A 16 -18.899 2.028 5.638 1.00 0.00 C ATOM 265 O LEU A 16 -20.102 2.267 5.531 1.00 0.00 O ATOM 266 CB LEU A 16 -17.293 3.901 6.054 1.00 0.00 C ATOM 267 CG LEU A 16 -17.249 5.196 6.866 1.00 0.00 C ATOM 268 CD1 LEU A 16 -15.817 5.544 7.239 1.00 0.00 C ATOM 269 CD2 LEU A 16 -17.891 6.335 6.086 1.00 0.00 C ATOM 0 H LEU A 16 -16.141 2.100 7.279 1.00 0.00 H new ATOM 0 HA LEU A 16 -18.716 3.121 7.465 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -16.269 3.581 5.863 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -17.745 4.118 5.086 1.00 0.00 H new ATOM 0 HG LEU A 16 -17.815 5.046 7.785 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.806 6.468 7.816 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.390 4.738 7.836 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -15.227 5.675 6.332 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -17.851 7.249 6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -17.352 6.485 5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -18.930 6.088 5.870 1.00 0.00 H new ATOM 281 N SER A 17 -18.263 1.156 4.862 1.00 0.00 N ATOM 282 CA SER A 17 -18.958 0.416 3.815 1.00 0.00 C ATOM 283 C SER A 17 -19.538 1.365 2.772 1.00 0.00 C ATOM 284 O SER A 17 -20.632 1.143 2.253 1.00 0.00 O ATOM 285 CB SER A 17 -20.073 -0.439 4.420 1.00 0.00 C ATOM 286 OG SER A 17 -20.434 -1.497 3.550 1.00 0.00 O ATOM 0 H SER A 17 -17.268 0.945 4.939 1.00 0.00 H new ATOM 0 HA SER A 17 -18.235 -0.236 3.325 1.00 0.00 H new ATOM 0 HB2 SER A 17 -19.745 -0.846 5.376 1.00 0.00 H new ATOM 0 HB3 SER A 17 -20.945 0.184 4.621 1.00 0.00 H new ATOM 0 HG SER A 17 -20.668 -1.132 2.671 1.00 0.00 H new ATOM 292 N VAL A 18 -18.796 2.426 2.469 1.00 0.00 N ATOM 293 CA VAL A 18 -19.235 3.410 1.486 1.00 0.00 C ATOM 294 C VAL A 18 -18.109 3.762 0.521 1.00 0.00 C ATOM 295 O VAL A 18 -17.061 3.117 0.513 1.00 0.00 O ATOM 296 CB VAL A 18 -19.734 4.698 2.167 1.00 0.00 C ATOM 297 CG1 VAL A 18 -20.813 4.378 3.190 1.00 0.00 C ATOM 298 CG2 VAL A 18 -18.576 5.441 2.816 1.00 0.00 C ATOM 0 H VAL A 18 -17.889 2.626 2.890 1.00 0.00 H new ATOM 0 HA VAL A 18 -20.057 2.959 0.931 1.00 0.00 H new ATOM 0 HB VAL A 18 -20.169 5.345 1.406 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -21.153 5.300 3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -21.653 3.893 2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -20.407 3.711 3.950 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -18.947 6.348 3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -18.109 4.803 3.566 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -17.841 5.705 2.055 1.00 0.00 H new ATOM 308 N GLU A 19 -18.333 4.789 -0.293 1.00 0.00 N ATOM 309 CA GLU A 19 -17.337 5.227 -1.263 1.00 0.00 C ATOM 310 C GLU A 19 -16.259 6.074 -0.592 1.00 0.00 C ATOM 311 O GLU A 19 -16.562 7.014 0.141 1.00 0.00 O ATOM 312 CB GLU A 19 -18.002 6.025 -2.386 1.00 0.00 C ATOM 313 CG GLU A 19 -18.950 7.103 -1.888 1.00 0.00 C ATOM 314 CD GLU A 19 -18.820 8.398 -2.665 1.00 0.00 C ATOM 315 OE1 GLU A 19 -17.705 8.959 -2.704 1.00 0.00 O ATOM 316 OE2 GLU A 19 -19.834 8.851 -3.236 1.00 0.00 O ATOM 0 H GLU A 19 -19.196 5.333 -0.300 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.866 4.340 -1.687 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.228 6.488 -2.998 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.552 5.340 -3.031 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -19.976 6.741 -1.961 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.754 7.295 -0.833 1.00 0.00 H new ATOM 323 N GLU A 20 -15.000 5.731 -0.849 1.00 0.00 N ATOM 324 CA GLU A 20 -13.878 6.459 -0.269 1.00 0.00 C ATOM 325 C GLU A 20 -13.707 7.820 -0.938 1.00 0.00 C ATOM 326 O GLU A 20 -12.904 8.643 -0.499 1.00 0.00 O ATOM 327 CB GLU A 20 -12.589 5.646 -0.406 1.00 0.00 C ATOM 328 CG GLU A 20 -12.008 5.658 -1.809 1.00 0.00 C ATOM 329 CD GLU A 20 -11.409 4.322 -2.205 1.00 0.00 C ATOM 330 OE1 GLU A 20 -10.914 3.605 -1.310 1.00 0.00 O ATOM 331 OE2 GLU A 20 -11.435 3.994 -3.409 1.00 0.00 O ATOM 0 H GLU A 20 -14.732 4.955 -1.454 1.00 0.00 H new ATOM 0 HA GLU A 20 -14.089 6.618 0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.846 6.038 0.289 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.787 4.615 -0.113 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.790 5.926 -2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.241 6.429 -1.874 1.00 0.00 H new ATOM 338 N ASP A 21 -14.468 8.048 -2.003 1.00 0.00 N ATOM 339 CA ASP A 21 -14.403 9.308 -2.734 1.00 0.00 C ATOM 340 C ASP A 21 -14.974 10.451 -1.899 1.00 0.00 C ATOM 341 O ASP A 21 -14.859 11.620 -2.266 1.00 0.00 O ATOM 342 CB ASP A 21 -15.163 9.196 -4.056 1.00 0.00 C ATOM 343 CG ASP A 21 -14.236 9.135 -5.254 1.00 0.00 C ATOM 344 OD1 ASP A 21 -13.323 9.984 -5.342 1.00 0.00 O ATOM 345 OD2 ASP A 21 -14.422 8.239 -6.103 1.00 0.00 O ATOM 0 H ASP A 21 -15.137 7.376 -2.379 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.355 9.524 -2.944 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.788 8.303 -4.038 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.832 10.051 -4.161 1.00 0.00 H new ATOM 350 N LYS A 22 -15.592 10.104 -0.775 1.00 0.00 N ATOM 351 CA LYS A 22 -16.182 11.099 0.112 1.00 0.00 C ATOM 352 C LYS A 22 -15.702 10.901 1.547 1.00 0.00 C ATOM 353 O LYS A 22 -16.107 11.631 2.452 1.00 0.00 O ATOM 354 CB LYS A 22 -17.709 11.018 0.059 1.00 0.00 C ATOM 355 CG LYS A 22 -18.249 9.605 0.194 1.00 0.00 C ATOM 356 CD LYS A 22 -18.209 9.128 1.636 1.00 0.00 C ATOM 357 CE LYS A 22 -19.575 8.652 2.104 1.00 0.00 C ATOM 358 NZ LYS A 22 -19.645 8.538 3.587 1.00 0.00 N ATOM 0 H LYS A 22 -15.697 9.141 -0.457 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.864 12.085 -0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -18.125 11.634 0.856 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -18.054 11.441 -0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -19.275 9.570 -0.173 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.664 8.930 -0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.487 8.317 1.732 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.865 9.938 2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -20.340 9.346 1.757 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.796 7.684 1.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.340 7.809 3.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -18.711 8.274 3.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.933 9.451 3.992 1.00 0.00 H new ATOM 372 N ILE A 23 -14.837 9.912 1.745 1.00 0.00 N ATOM 373 CA ILE A 23 -14.301 9.622 3.069 1.00 0.00 C ATOM 374 C ILE A 23 -13.065 10.467 3.359 1.00 0.00 C ATOM 375 O ILE A 23 -12.748 10.743 4.516 1.00 0.00 O ATOM 376 CB ILE A 23 -13.936 8.133 3.214 1.00 0.00 C ATOM 377 CG1 ILE A 23 -14.386 7.606 4.579 1.00 0.00 C ATOM 378 CG2 ILE A 23 -12.439 7.934 3.031 1.00 0.00 C ATOM 379 CD1 ILE A 23 -13.815 8.382 5.744 1.00 0.00 C ATOM 0 H ILE A 23 -14.493 9.299 1.006 1.00 0.00 H new ATOM 0 HA ILE A 23 -15.083 9.868 3.787 1.00 0.00 H new ATOM 0 HB ILE A 23 -14.455 7.570 2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -15.474 7.637 4.631 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.092 6.560 4.671 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.197 6.876 3.136 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.145 8.276 2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.901 8.506 3.787 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -14.176 7.953 6.679 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.727 8.330 5.717 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.130 9.423 5.677 1.00 0.00 H new ATOM 391 N GLN A 24 -12.373 10.876 2.301 1.00 0.00 N ATOM 392 CA GLN A 24 -11.172 11.691 2.443 1.00 0.00 C ATOM 393 C GLN A 24 -11.307 12.998 1.669 1.00 0.00 C ATOM 394 O GLN A 24 -11.710 13.004 0.506 1.00 0.00 O ATOM 395 CB GLN A 24 -9.946 10.919 1.953 1.00 0.00 C ATOM 396 CG GLN A 24 -9.807 10.894 0.440 1.00 0.00 C ATOM 397 CD GLN A 24 -9.158 9.620 -0.066 1.00 0.00 C ATOM 398 OE1 GLN A 24 -9.534 9.201 -1.268 1.00 0.00 O flip ATOM 399 NE2 GLN A 24 -8.328 9.020 0.617 1.00 0.00 N flip ATOM 0 H GLN A 24 -12.623 10.657 1.337 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.046 11.927 3.500 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -9.050 11.365 2.384 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -10.001 9.895 2.321 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.793 11.000 -0.013 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.215 11.751 0.119 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.069 9.379 1.536 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.900 8.164 0.264 1.00 0.00 H new ATOM 408 N MET A 25 -10.968 14.105 2.323 1.00 0.00 N ATOM 409 CA MET A 25 -11.051 15.419 1.695 1.00 0.00 C ATOM 410 C MET A 25 -9.693 16.113 1.706 1.00 0.00 C ATOM 411 O MET A 25 -9.568 17.259 1.277 1.00 0.00 O ATOM 412 CB MET A 25 -12.086 16.286 2.413 1.00 0.00 C ATOM 413 CG MET A 25 -13.509 15.765 2.287 1.00 0.00 C ATOM 414 SD MET A 25 -14.272 16.204 0.713 1.00 0.00 S ATOM 415 CE MET A 25 -15.616 15.022 0.648 1.00 0.00 C ATOM 0 H MET A 25 -10.634 14.118 3.287 1.00 0.00 H new ATOM 0 HA MET A 25 -11.360 15.281 0.659 1.00 0.00 H new ATOM 0 HB2 MET A 25 -11.824 16.351 3.469 1.00 0.00 H new ATOM 0 HB3 MET A 25 -12.042 17.298 2.011 1.00 0.00 H new ATOM 0 HG2 MET A 25 -13.506 14.680 2.395 1.00 0.00 H new ATOM 0 HG3 MET A 25 -14.112 16.165 3.103 1.00 0.00 H new ATOM 0 HE1 MET A 25 -15.721 14.646 -0.370 1.00 0.00 H new ATOM 0 HE2 MET A 25 -15.403 14.191 1.321 1.00 0.00 H new ATOM 0 HE3 MET A 25 -16.543 15.508 0.953 1.00 0.00 H new ATOM 425 N ASN A 26 -8.678 15.411 2.199 1.00 0.00 N ATOM 426 CA ASN A 26 -7.329 15.961 2.267 1.00 0.00 C ATOM 427 C ASN A 26 -7.249 17.080 3.300 1.00 0.00 C ATOM 428 O ASN A 26 -6.256 17.805 3.370 1.00 0.00 O ATOM 429 CB ASN A 26 -6.901 16.486 0.895 1.00 0.00 C ATOM 430 CG ASN A 26 -7.394 15.609 -0.240 1.00 0.00 C ATOM 431 OD1 ASN A 26 -6.885 14.508 -0.454 1.00 0.00 O ATOM 432 ND2 ASN A 26 -8.389 16.094 -0.973 1.00 0.00 N ATOM 0 H ASN A 26 -8.764 14.460 2.557 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.652 15.162 2.571 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.283 17.498 0.761 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.813 16.548 0.856 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.763 15.549 -1.750 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.780 17.011 -0.759 1.00 0.00 H new ATOM 439 N SER A 27 -8.301 17.215 4.101 1.00 0.00 N ATOM 440 CA SER A 27 -8.352 18.248 5.129 1.00 0.00 C ATOM 441 C SER A 27 -8.517 17.629 6.514 1.00 0.00 C ATOM 442 O SER A 27 -7.582 17.614 7.314 1.00 0.00 O ATOM 443 CB SER A 27 -9.502 19.218 4.851 1.00 0.00 C ATOM 444 OG SER A 27 -9.375 19.806 3.569 1.00 0.00 O ATOM 0 H SER A 27 -9.130 16.622 4.058 1.00 0.00 H new ATOM 0 HA SER A 27 -7.410 18.796 5.105 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.453 18.689 4.919 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.516 19.998 5.612 1.00 0.00 H new ATOM 0 HG SER A 27 -10.123 20.420 3.415 1.00 0.00 H new ATOM 450 N ASN A 28 -9.713 17.119 6.788 1.00 0.00 N ATOM 451 CA ASN A 28 -10.002 16.499 8.076 1.00 0.00 C ATOM 452 C ASN A 28 -10.946 15.312 7.909 1.00 0.00 C ATOM 453 O ASN A 28 -11.754 15.274 6.980 1.00 0.00 O ATOM 454 CB ASN A 28 -10.617 17.523 9.033 1.00 0.00 C ATOM 455 CG ASN A 28 -10.610 18.927 8.459 1.00 0.00 C ATOM 456 OD1 ASN A 28 -11.630 19.415 7.972 1.00 0.00 O ATOM 457 ND2 ASN A 28 -9.457 19.582 8.513 1.00 0.00 N ATOM 0 H ASN A 28 -10.497 17.123 6.136 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.063 16.138 8.495 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.642 17.232 9.262 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.065 17.515 9.973 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.391 20.530 8.142 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.637 19.138 8.926 1.00 0.00 H new ATOM 464 N PHE A 29 -10.839 14.346 8.815 1.00 0.00 N ATOM 465 CA PHE A 29 -11.683 13.157 8.768 1.00 0.00 C ATOM 466 C PHE A 29 -12.913 13.328 9.655 1.00 0.00 C ATOM 467 O PHE A 29 -13.983 12.792 9.363 1.00 0.00 O ATOM 468 CB PHE A 29 -10.890 11.925 9.208 1.00 0.00 C ATOM 469 CG PHE A 29 -10.347 11.120 8.061 1.00 0.00 C ATOM 470 CD1 PHE A 29 -9.263 11.577 7.329 1.00 0.00 C ATOM 471 CD2 PHE A 29 -10.922 9.908 7.716 1.00 0.00 C ATOM 472 CE1 PHE A 29 -8.761 10.839 6.273 1.00 0.00 C ATOM 473 CE2 PHE A 29 -10.424 9.165 6.662 1.00 0.00 C ATOM 474 CZ PHE A 29 -9.343 9.632 5.939 1.00 0.00 C ATOM 0 H PHE A 29 -10.177 14.363 9.590 1.00 0.00 H new ATOM 0 HA PHE A 29 -12.015 13.018 7.739 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -10.062 12.243 9.842 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.532 11.288 9.817 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.805 12.521 7.586 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.768 9.540 8.276 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -7.915 11.206 5.710 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.879 8.220 6.404 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.954 9.054 5.114 1.00 0.00 H new ATOM 484 N THR A 30 -12.752 14.077 10.741 1.00 0.00 N ATOM 485 CA THR A 30 -13.847 14.318 11.672 1.00 0.00 C ATOM 486 C THR A 30 -14.151 15.807 11.790 1.00 0.00 C ATOM 487 O THR A 30 -15.001 16.217 12.581 1.00 0.00 O ATOM 488 CB THR A 30 -13.528 13.758 13.071 1.00 0.00 C ATOM 489 OG1 THR A 30 -14.689 13.835 13.906 1.00 0.00 O ATOM 490 CG2 THR A 30 -12.384 14.528 13.714 1.00 0.00 C ATOM 0 H THR A 30 -11.873 14.527 10.998 1.00 0.00 H new ATOM 0 HA THR A 30 -14.721 13.803 11.273 1.00 0.00 H new ATOM 0 HB THR A 30 -13.228 12.716 12.961 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.132 14.699 13.771 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.177 14.115 14.701 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.493 14.444 13.091 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.661 15.578 13.811 1.00 0.00 H new ATOM 498 N LYS A 31 -13.453 16.613 10.998 1.00 0.00 N ATOM 499 CA LYS A 31 -13.650 18.058 11.011 1.00 0.00 C ATOM 500 C LYS A 31 -14.084 18.561 9.638 1.00 0.00 C ATOM 501 O LYS A 31 -14.544 19.694 9.499 1.00 0.00 O ATOM 502 CB LYS A 31 -12.362 18.765 11.441 1.00 0.00 C ATOM 503 CG LYS A 31 -11.383 17.857 12.165 1.00 0.00 C ATOM 504 CD LYS A 31 -10.105 18.594 12.530 1.00 0.00 C ATOM 505 CE LYS A 31 -10.341 19.602 13.644 1.00 0.00 C ATOM 506 NZ LYS A 31 -9.560 20.852 13.436 1.00 0.00 N ATOM 0 H LYS A 31 -12.745 16.290 10.338 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.439 18.285 11.728 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.875 19.182 10.560 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.617 19.603 12.091 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.849 17.465 13.069 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.143 17.002 11.533 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.346 17.876 12.842 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.716 19.107 11.650 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.403 19.842 13.697 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.066 19.157 14.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.748 21.513 14.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.545 20.627 13.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.840 21.291 12.536 1.00 0.00 H new ATOM 520 N ASP A 32 -13.936 17.711 8.628 1.00 0.00 N ATOM 521 CA ASP A 32 -14.315 18.068 7.266 1.00 0.00 C ATOM 522 C ASP A 32 -15.628 17.397 6.874 1.00 0.00 C ATOM 523 O ASP A 32 -16.637 18.066 6.648 1.00 0.00 O ATOM 524 CB ASP A 32 -13.211 17.670 6.285 1.00 0.00 C ATOM 525 CG ASP A 32 -12.976 18.723 5.220 1.00 0.00 C ATOM 526 OD1 ASP A 32 -12.543 19.838 5.574 1.00 0.00 O ATOM 527 OD2 ASP A 32 -13.227 18.431 4.031 1.00 0.00 O ATOM 0 H ASP A 32 -13.556 16.770 8.727 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.454 19.148 7.225 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.285 17.500 6.834 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.476 16.727 5.807 1.00 0.00 H new ATOM 532 N LEU A 33 -15.607 16.071 6.793 1.00 0.00 N ATOM 533 CA LEU A 33 -16.795 15.308 6.427 1.00 0.00 C ATOM 534 C LEU A 33 -17.740 15.167 7.617 1.00 0.00 C ATOM 535 O LEU A 33 -18.957 15.098 7.452 1.00 0.00 O ATOM 536 CB LEU A 33 -16.398 13.924 5.911 1.00 0.00 C ATOM 537 CG LEU A 33 -15.418 13.138 6.782 1.00 0.00 C ATOM 538 CD1 LEU A 33 -16.077 11.880 7.326 1.00 0.00 C ATOM 539 CD2 LEU A 33 -14.165 12.787 5.992 1.00 0.00 C ATOM 0 H LEU A 33 -14.780 15.502 6.976 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.314 15.849 5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -17.304 13.330 5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.959 14.040 4.920 1.00 0.00 H new ATOM 0 HG LEU A 33 -15.128 13.765 7.625 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.364 11.334 7.944 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.943 12.154 7.928 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.397 11.249 6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.479 12.228 6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.437 12.179 5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -13.681 13.703 5.653 1.00 0.00 H new ATOM 551 N GLY A 34 -17.170 15.126 8.817 1.00 0.00 N ATOM 552 CA GLY A 34 -17.975 14.996 10.017 1.00 0.00 C ATOM 553 C GLY A 34 -18.938 13.828 9.945 1.00 0.00 C ATOM 554 O GLY A 34 -20.136 13.986 10.179 1.00 0.00 O ATOM 0 H GLY A 34 -16.165 15.181 8.980 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.319 14.870 10.879 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.536 15.917 10.176 1.00 0.00 H new ATOM 558 N ALA A 35 -18.414 12.651 9.620 1.00 0.00 N ATOM 559 CA ALA A 35 -19.235 11.451 9.518 1.00 0.00 C ATOM 560 C ALA A 35 -19.851 11.091 10.866 1.00 0.00 C ATOM 561 O ALA A 35 -21.036 11.328 11.100 1.00 0.00 O ATOM 562 CB ALA A 35 -18.409 10.289 8.986 1.00 0.00 C ATOM 0 H ALA A 35 -17.424 12.503 9.423 1.00 0.00 H new ATOM 0 HA ALA A 35 -20.047 11.655 8.820 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -19.035 9.400 8.915 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -18.022 10.540 7.998 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -17.577 10.094 9.663 1.00 0.00 H new ATOM 568 N ASP A 36 -19.040 10.517 11.747 1.00 0.00 N ATOM 569 CA ASP A 36 -19.506 10.124 13.072 1.00 0.00 C ATOM 570 C ASP A 36 -18.372 9.508 13.886 1.00 0.00 C ATOM 571 O ASP A 36 -17.750 8.516 13.510 1.00 0.00 O ATOM 572 CB ASP A 36 -20.664 9.132 12.956 1.00 0.00 C ATOM 573 CG ASP A 36 -21.940 9.656 13.585 1.00 0.00 C ATOM 574 OD1 ASP A 36 -22.616 10.491 12.949 1.00 0.00 O ATOM 575 OD2 ASP A 36 -22.263 9.229 14.713 1.00 0.00 O ATOM 0 H ASP A 36 -18.057 10.313 11.568 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.855 11.019 13.587 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -20.845 8.911 11.904 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -20.385 8.194 13.436 1.00 0.00 H new ATOM 580 N SER A 37 -18.081 10.113 15.051 1.00 0.00 N ATOM 581 CA SER A 37 -17.024 9.709 16.005 1.00 0.00 C ATOM 582 C SER A 37 -16.932 8.184 16.179 1.00 0.00 C ATOM 583 O SER A 37 -15.862 7.623 16.420 1.00 0.00 O ATOM 584 CB SER A 37 -17.325 10.417 17.336 1.00 0.00 C ATOM 585 OG SER A 37 -18.540 9.935 17.912 1.00 0.00 O ATOM 0 H SER A 37 -18.597 10.933 15.371 1.00 0.00 H new ATOM 0 HA SER A 37 -16.048 10.006 15.621 1.00 0.00 H new ATOM 0 HB2 SER A 37 -16.501 10.257 18.031 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.399 11.492 17.171 1.00 0.00 H new ATOM 0 HG SER A 37 -18.708 10.400 18.758 1.00 0.00 H new ATOM 590 N LEU A 38 -18.080 7.528 16.052 1.00 0.00 N ATOM 591 CA LEU A 38 -18.152 6.077 16.191 1.00 0.00 C ATOM 592 C LEU A 38 -17.442 5.383 15.033 1.00 0.00 C ATOM 593 O LEU A 38 -16.549 4.562 15.242 1.00 0.00 O ATOM 594 CB LEU A 38 -19.611 5.623 16.256 1.00 0.00 C ATOM 595 CG LEU A 38 -20.475 6.291 17.327 1.00 0.00 C ATOM 596 CD1 LEU A 38 -21.181 7.511 16.758 1.00 0.00 C ATOM 597 CD2 LEU A 38 -21.485 5.302 17.890 1.00 0.00 C ATOM 0 H LEU A 38 -18.974 7.977 15.853 1.00 0.00 H new ATOM 0 HA LEU A 38 -17.650 5.800 17.118 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -20.070 5.802 15.284 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.628 4.546 16.423 1.00 0.00 H new ATOM 0 HG LEU A 38 -19.826 6.618 18.139 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -21.791 7.973 17.534 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.440 8.228 16.404 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.819 7.208 15.928 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -22.091 5.794 18.651 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -22.130 4.944 17.088 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -20.958 4.458 18.336 1.00 0.00 H new ATOM 609 N ASP A 39 -17.845 5.720 13.813 1.00 0.00 N ATOM 610 CA ASP A 39 -17.245 5.131 12.621 1.00 0.00 C ATOM 611 C ASP A 39 -15.813 5.621 12.434 1.00 0.00 C ATOM 612 O ASP A 39 -14.942 4.871 11.991 1.00 0.00 O ATOM 613 CB ASP A 39 -18.079 5.471 11.384 1.00 0.00 C ATOM 614 CG ASP A 39 -19.520 5.021 11.516 1.00 0.00 C ATOM 615 OD1 ASP A 39 -19.749 3.908 12.032 1.00 0.00 O ATOM 616 OD2 ASP A 39 -20.420 5.782 11.102 1.00 0.00 O ATOM 0 H ASP A 39 -18.584 6.397 13.623 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.225 4.049 12.751 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -18.052 6.548 11.216 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -17.633 5.000 10.508 1.00 0.00 H new ATOM 621 N LEU A 40 -15.576 6.883 12.774 1.00 0.00 N ATOM 622 CA LEU A 40 -14.248 7.474 12.644 1.00 0.00 C ATOM 623 C LEU A 40 -13.249 6.778 13.562 1.00 0.00 C ATOM 624 O LEU A 40 -12.245 6.233 13.104 1.00 0.00 O ATOM 625 CB LEU A 40 -14.300 8.968 12.968 1.00 0.00 C ATOM 626 CG LEU A 40 -13.765 9.908 11.887 1.00 0.00 C ATOM 627 CD1 LEU A 40 -12.367 9.488 11.459 1.00 0.00 C ATOM 628 CD2 LEU A 40 -14.705 9.936 10.691 1.00 0.00 C ATOM 0 H LEU A 40 -16.286 7.517 13.142 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.918 7.342 11.613 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -15.335 9.238 13.177 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.735 9.141 13.884 1.00 0.00 H new ATOM 0 HG LEU A 40 -13.709 10.914 12.303 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.002 10.168 10.689 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.698 9.521 12.319 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.398 8.473 11.062 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -14.308 10.610 9.932 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -14.794 8.933 10.275 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -15.687 10.285 11.009 1.00 0.00 H new ATOM 640 N VAL A 41 -13.533 6.797 14.860 1.00 0.00 N ATOM 641 CA VAL A 41 -12.661 6.164 15.843 1.00 0.00 C ATOM 642 C VAL A 41 -12.585 4.658 15.621 1.00 0.00 C ATOM 643 O VAL A 41 -11.618 4.010 16.021 1.00 0.00 O ATOM 644 CB VAL A 41 -13.145 6.437 17.280 1.00 0.00 C ATOM 645 CG1 VAL A 41 -12.237 5.748 18.288 1.00 0.00 C ATOM 646 CG2 VAL A 41 -13.211 7.933 17.545 1.00 0.00 C ATOM 0 H VAL A 41 -14.360 7.244 15.256 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.669 6.597 15.713 1.00 0.00 H new ATOM 0 HB VAL A 41 -14.149 6.028 17.391 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -12.594 5.952 19.298 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -12.246 4.673 18.110 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.220 6.126 18.179 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.555 8.107 18.565 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -12.220 8.369 17.417 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.905 8.396 16.844 1.00 0.00 H new ATOM 656 N GLU A 42 -13.611 4.107 14.980 1.00 0.00 N ATOM 657 CA GLU A 42 -13.660 2.676 14.705 1.00 0.00 C ATOM 658 C GLU A 42 -12.704 2.306 13.575 1.00 0.00 C ATOM 659 O GLU A 42 -11.693 1.638 13.795 1.00 0.00 O ATOM 660 CB GLU A 42 -15.085 2.252 14.343 1.00 0.00 C ATOM 661 CG GLU A 42 -15.165 0.882 13.689 1.00 0.00 C ATOM 662 CD GLU A 42 -14.586 -0.215 14.562 1.00 0.00 C ATOM 663 OE1 GLU A 42 -14.987 -0.310 15.740 1.00 0.00 O ATOM 664 OE2 GLU A 42 -13.733 -0.979 14.065 1.00 0.00 O ATOM 0 H GLU A 42 -14.419 4.630 14.642 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.350 2.148 15.607 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -15.695 2.250 15.246 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -15.515 2.993 13.669 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -16.206 0.651 13.464 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.631 0.905 12.739 1.00 0.00 H new ATOM 671 N LEU A 43 -13.032 2.744 12.364 1.00 0.00 N ATOM 672 CA LEU A 43 -12.204 2.460 11.198 1.00 0.00 C ATOM 673 C LEU A 43 -10.730 2.715 11.500 1.00 0.00 C ATOM 674 O LEU A 43 -9.855 1.990 11.027 1.00 0.00 O ATOM 675 CB LEU A 43 -12.648 3.316 10.011 1.00 0.00 C ATOM 676 CG LEU A 43 -12.378 4.817 10.128 1.00 0.00 C ATOM 677 CD1 LEU A 43 -11.046 5.171 9.486 1.00 0.00 C ATOM 678 CD2 LEU A 43 -13.508 5.613 9.490 1.00 0.00 C ATOM 0 H LEU A 43 -13.866 3.297 12.165 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.327 1.407 10.945 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.149 2.946 9.115 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.718 3.170 9.863 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.329 5.077 11.185 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.871 6.243 9.579 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.245 4.628 9.987 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.066 4.897 8.431 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.299 6.679 9.582 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.589 5.349 8.436 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.446 5.382 9.995 1.00 0.00 H new ATOM 690 N ILE A 44 -10.465 3.748 12.292 1.00 0.00 N ATOM 691 CA ILE A 44 -9.098 4.097 12.660 1.00 0.00 C ATOM 692 C ILE A 44 -8.484 3.032 13.562 1.00 0.00 C ATOM 693 O ILE A 44 -7.362 2.581 13.331 1.00 0.00 O ATOM 694 CB ILE A 44 -9.038 5.458 13.378 1.00 0.00 C ATOM 695 CG1 ILE A 44 -9.446 6.581 12.423 1.00 0.00 C ATOM 696 CG2 ILE A 44 -7.642 5.705 13.929 1.00 0.00 C ATOM 697 CD1 ILE A 44 -9.783 7.879 13.124 1.00 0.00 C ATOM 0 H ILE A 44 -11.178 4.358 12.691 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.527 4.159 11.733 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.739 5.443 14.212 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.635 6.759 11.717 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.309 6.257 11.842 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.616 6.671 14.434 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.386 4.918 14.638 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.922 5.704 13.110 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.063 8.630 12.385 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.615 7.717 13.810 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.914 8.227 13.683 1.00 0.00 H new ATOM 709 N MET A 45 -9.226 2.633 14.589 1.00 0.00 N ATOM 710 CA MET A 45 -8.755 1.618 15.524 1.00 0.00 C ATOM 711 C MET A 45 -8.306 0.363 14.783 1.00 0.00 C ATOM 712 O MET A 45 -7.440 -0.373 15.257 1.00 0.00 O ATOM 713 CB MET A 45 -9.857 1.266 16.526 1.00 0.00 C ATOM 714 CG MET A 45 -10.726 0.099 16.087 1.00 0.00 C ATOM 715 SD MET A 45 -10.146 -1.481 16.734 1.00 0.00 S ATOM 716 CE MET A 45 -11.480 -1.900 17.853 1.00 0.00 C ATOM 0 H MET A 45 -10.156 2.997 14.795 1.00 0.00 H new ATOM 0 HA MET A 45 -7.900 2.026 16.063 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.401 1.028 17.487 1.00 0.00 H new ATOM 0 HB3 MET A 45 -10.489 2.141 16.681 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.750 0.269 16.419 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.746 0.056 14.998 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.267 -2.856 18.332 1.00 0.00 H new ATOM 0 HE2 MET A 45 -11.573 -1.125 18.614 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.413 -1.974 17.295 1.00 0.00 H new ATOM 726 N ALA A 46 -8.899 0.124 13.618 1.00 0.00 N ATOM 727 CA ALA A 46 -8.558 -1.041 12.811 1.00 0.00 C ATOM 728 C ALA A 46 -7.280 -0.801 12.014 1.00 0.00 C ATOM 729 O ALA A 46 -6.447 -1.698 11.873 1.00 0.00 O ATOM 730 CB ALA A 46 -9.707 -1.391 11.877 1.00 0.00 C ATOM 0 H ALA A 46 -9.618 0.722 13.212 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.383 -1.880 13.484 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.438 -2.263 11.280 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.598 -1.613 12.464 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.909 -0.548 11.217 1.00 0.00 H new ATOM 736 N LEU A 47 -7.131 0.412 11.495 1.00 0.00 N ATOM 737 CA LEU A 47 -5.954 0.769 10.711 1.00 0.00 C ATOM 738 C LEU A 47 -4.674 0.507 11.499 1.00 0.00 C ATOM 739 O LEU A 47 -3.719 -0.065 10.976 1.00 0.00 O ATOM 740 CB LEU A 47 -6.019 2.241 10.297 1.00 0.00 C ATOM 741 CG LEU A 47 -5.350 2.595 8.969 1.00 0.00 C ATOM 742 CD1 LEU A 47 -5.369 4.099 8.746 1.00 0.00 C ATOM 743 CD2 LEU A 47 -3.924 2.066 8.933 1.00 0.00 C ATOM 0 H LEU A 47 -7.810 1.165 11.603 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.942 0.146 9.816 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.067 2.537 10.243 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.559 2.839 11.083 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.912 2.122 8.163 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.888 4.332 7.796 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.400 4.451 8.727 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.832 4.594 9.555 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.463 2.327 7.980 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.351 2.509 9.747 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.935 0.982 9.046 1.00 0.00 H new ATOM 755 N GLU A 48 -4.665 0.928 12.760 1.00 0.00 N ATOM 756 CA GLU A 48 -3.504 0.736 13.620 1.00 0.00 C ATOM 757 C GLU A 48 -3.400 -0.715 14.080 1.00 0.00 C ATOM 758 O GLU A 48 -2.318 -1.302 14.076 1.00 0.00 O ATOM 759 CB GLU A 48 -3.582 1.663 14.835 1.00 0.00 C ATOM 760 CG GLU A 48 -4.857 1.497 15.646 1.00 0.00 C ATOM 761 CD GLU A 48 -4.668 0.595 16.850 1.00 0.00 C ATOM 762 OE1 GLU A 48 -3.647 0.749 17.551 1.00 0.00 O ATOM 763 OE2 GLU A 48 -5.542 -0.265 17.090 1.00 0.00 O ATOM 0 H GLU A 48 -5.448 1.404 13.208 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.613 0.980 13.042 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.724 1.475 15.480 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.508 2.697 14.498 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.201 2.476 15.980 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.639 1.086 15.007 1.00 0.00 H new ATOM 770 N GLU A 49 -4.533 -1.287 14.475 1.00 0.00 N ATOM 771 CA GLU A 49 -4.569 -2.669 14.939 1.00 0.00 C ATOM 772 C GLU A 49 -4.053 -3.618 13.862 1.00 0.00 C ATOM 773 O GLU A 49 -3.554 -4.703 14.161 1.00 0.00 O ATOM 774 CB GLU A 49 -5.994 -3.059 15.338 1.00 0.00 C ATOM 775 CG GLU A 49 -6.078 -4.386 16.073 1.00 0.00 C ATOM 776 CD GLU A 49 -5.211 -4.419 17.317 1.00 0.00 C ATOM 777 OE1 GLU A 49 -5.322 -3.491 18.144 1.00 0.00 O ATOM 778 OE2 GLU A 49 -4.419 -5.375 17.461 1.00 0.00 O ATOM 0 H GLU A 49 -5.437 -0.815 14.483 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.920 -2.750 15.811 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.413 -2.276 15.970 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.612 -3.110 14.442 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.114 -4.578 16.351 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.774 -5.189 15.401 1.00 0.00 H new ATOM 785 N LYS A 50 -4.176 -3.202 12.606 1.00 0.00 N ATOM 786 CA LYS A 50 -3.722 -4.012 11.482 1.00 0.00 C ATOM 787 C LYS A 50 -2.244 -3.765 11.195 1.00 0.00 C ATOM 788 O LYS A 50 -1.494 -4.696 10.902 1.00 0.00 O ATOM 789 CB LYS A 50 -4.553 -3.704 10.235 1.00 0.00 C ATOM 790 CG LYS A 50 -4.108 -4.471 9.002 1.00 0.00 C ATOM 791 CD LYS A 50 -4.744 -3.914 7.739 1.00 0.00 C ATOM 792 CE LYS A 50 -4.691 -4.920 6.599 1.00 0.00 C ATOM 793 NZ LYS A 50 -3.420 -4.820 5.830 1.00 0.00 N ATOM 0 H LYS A 50 -4.587 -2.307 12.341 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.852 -5.061 11.747 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.598 -3.936 10.439 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.498 -2.635 10.027 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.022 -4.424 8.915 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.374 -5.523 9.111 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.781 -3.645 7.940 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.229 -3.000 7.443 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.795 -5.928 6.999 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.535 -4.755 5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.423 -5.522 5.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.333 -3.865 5.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.616 -5.003 6.463 1.00 0.00 H new ATOM 807 N PHE A 51 -1.832 -2.504 11.282 1.00 0.00 N ATOM 808 CA PHE A 51 -0.444 -2.135 11.032 1.00 0.00 C ATOM 809 C PHE A 51 0.470 -2.685 12.122 1.00 0.00 C ATOM 810 O PHE A 51 1.685 -2.771 11.943 1.00 0.00 O ATOM 811 CB PHE A 51 -0.305 -0.613 10.954 1.00 0.00 C ATOM 812 CG PHE A 51 0.061 -0.113 9.586 1.00 0.00 C ATOM 813 CD1 PHE A 51 1.132 -0.660 8.898 1.00 0.00 C ATOM 814 CD2 PHE A 51 -0.666 0.904 8.988 1.00 0.00 C ATOM 815 CE1 PHE A 51 1.472 -0.203 7.638 1.00 0.00 C ATOM 816 CE2 PHE A 51 -0.331 1.365 7.728 1.00 0.00 C ATOM 817 CZ PHE A 51 0.740 0.811 7.053 1.00 0.00 C ATOM 0 H PHE A 51 -2.440 -1.721 11.524 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.145 -2.570 10.078 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.245 -0.154 11.260 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.454 -0.289 11.666 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.708 -1.453 9.351 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.503 1.341 9.512 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.309 -0.639 7.112 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.906 2.157 7.272 1.00 0.00 H new ATOM 0 HZ PHE A 51 1.004 1.171 6.069 1.00 0.00 H new ATOM 827 N ASN A 52 -0.123 -3.056 13.252 1.00 0.00 N ATOM 828 CA ASN A 52 0.638 -3.597 14.373 1.00 0.00 C ATOM 829 C ASN A 52 1.522 -2.523 14.999 1.00 0.00 C ATOM 830 O ASN A 52 2.717 -2.731 15.208 1.00 0.00 O ATOM 831 CB ASN A 52 1.497 -4.776 13.911 1.00 0.00 C ATOM 832 CG ASN A 52 1.945 -5.651 15.065 1.00 0.00 C ATOM 833 OD1 ASN A 52 1.162 -6.429 15.609 1.00 0.00 O ATOM 834 ND2 ASN A 52 3.212 -5.528 15.444 1.00 0.00 N ATOM 0 H ASN A 52 -1.128 -2.992 13.416 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.069 -3.944 15.126 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.931 -5.378 13.200 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.373 -4.399 13.383 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.571 -6.092 16.215 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.826 -4.870 14.964 1.00 0.00 H new ATOM 841 N VAL A 53 0.926 -1.373 15.297 1.00 0.00 N ATOM 842 CA VAL A 53 1.658 -0.266 15.901 1.00 0.00 C ATOM 843 C VAL A 53 1.075 0.101 17.261 1.00 0.00 C ATOM 844 O VAL A 53 0.078 -0.475 17.698 1.00 0.00 O ATOM 845 CB VAL A 53 1.642 0.979 14.995 1.00 0.00 C ATOM 846 CG1 VAL A 53 2.838 0.971 14.055 1.00 0.00 C ATOM 847 CG2 VAL A 53 0.339 1.051 14.213 1.00 0.00 C ATOM 0 H VAL A 53 -0.062 -1.184 15.130 1.00 0.00 H new ATOM 0 HA VAL A 53 2.688 -0.600 16.028 1.00 0.00 H new ATOM 0 HB VAL A 53 1.711 1.866 15.624 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.810 1.858 13.423 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.759 0.970 14.638 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.803 0.079 13.430 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.344 1.937 13.578 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.237 0.160 13.593 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.499 1.107 14.907 1.00 0.00 H new ATOM 857 N THR A 54 1.703 1.065 17.927 1.00 0.00 N ATOM 858 CA THR A 54 1.247 1.510 19.238 1.00 0.00 C ATOM 859 C THR A 54 1.099 3.027 19.284 1.00 0.00 C ATOM 860 O THR A 54 1.989 3.732 19.759 1.00 0.00 O ATOM 861 CB THR A 54 2.217 1.067 20.350 1.00 0.00 C ATOM 862 OG1 THR A 54 2.591 -0.302 20.157 1.00 0.00 O ATOM 863 CG2 THR A 54 1.581 1.235 21.722 1.00 0.00 C ATOM 0 H THR A 54 2.529 1.553 17.580 1.00 0.00 H new ATOM 0 HA THR A 54 0.275 1.048 19.408 1.00 0.00 H new ATOM 0 HB THR A 54 3.105 1.697 20.299 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.209 -0.575 20.867 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.285 0.916 22.491 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.324 2.283 21.878 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.678 0.627 21.781 1.00 0.00 H new ATOM 871 N ILE A 55 -0.030 3.521 18.787 1.00 0.00 N ATOM 872 CA ILE A 55 -0.294 4.955 18.773 1.00 0.00 C ATOM 873 C ILE A 55 -1.282 5.342 19.868 1.00 0.00 C ATOM 874 O ILE A 55 -1.952 4.485 20.446 1.00 0.00 O ATOM 875 CB ILE A 55 -0.849 5.412 17.411 1.00 0.00 C ATOM 876 CG1 ILE A 55 -0.235 4.582 16.282 1.00 0.00 C ATOM 877 CG2 ILE A 55 -0.574 6.893 17.197 1.00 0.00 C ATOM 878 CD1 ILE A 55 -1.051 3.360 15.918 1.00 0.00 C ATOM 0 H ILE A 55 -0.776 2.950 18.389 1.00 0.00 H new ATOM 0 HA ILE A 55 0.658 5.453 18.953 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.928 5.258 17.404 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.124 5.211 15.399 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.766 4.266 16.577 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.972 7.201 16.230 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.054 7.470 17.988 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.501 7.070 17.220 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.556 2.819 15.111 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.141 2.710 16.788 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.044 3.669 15.592 1.00 0.00 H new ATOM 890 N SER A 56 -1.370 6.639 20.147 1.00 0.00 N ATOM 891 CA SER A 56 -2.275 7.140 21.174 1.00 0.00 C ATOM 892 C SER A 56 -3.424 7.927 20.549 1.00 0.00 C ATOM 893 O SER A 56 -3.709 7.790 19.359 1.00 0.00 O ATOM 894 CB SER A 56 -1.517 8.024 22.165 1.00 0.00 C ATOM 895 OG SER A 56 -2.105 7.968 23.453 1.00 0.00 O ATOM 0 H SER A 56 -0.825 7.361 19.676 1.00 0.00 H new ATOM 0 HA SER A 56 -2.690 6.284 21.706 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.477 7.702 22.222 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.513 9.054 21.808 1.00 0.00 H new ATOM 0 HG SER A 56 -1.601 8.540 24.068 1.00 0.00 H new ATOM 901 N ASP A 57 -4.078 8.750 21.360 1.00 0.00 N ATOM 902 CA ASP A 57 -5.195 9.561 20.888 1.00 0.00 C ATOM 903 C ASP A 57 -4.827 10.298 19.604 1.00 0.00 C ATOM 904 O ASP A 57 -5.690 10.593 18.778 1.00 0.00 O ATOM 905 CB ASP A 57 -5.616 10.563 21.963 1.00 0.00 C ATOM 906 CG ASP A 57 -7.110 10.539 22.224 1.00 0.00 C ATOM 907 OD1 ASP A 57 -7.670 9.432 22.369 1.00 0.00 O ATOM 908 OD2 ASP A 57 -7.719 11.628 22.283 1.00 0.00 O ATOM 0 H ASP A 57 -3.855 8.874 22.348 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.031 8.895 20.676 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.085 10.343 22.889 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.320 11.566 21.657 1.00 0.00 H new ATOM 913 N GLN A 58 -3.541 10.593 19.445 1.00 0.00 N ATOM 914 CA GLN A 58 -3.060 11.298 18.263 1.00 0.00 C ATOM 915 C GLN A 58 -3.450 10.554 16.990 1.00 0.00 C ATOM 916 O GLN A 58 -3.740 11.170 15.964 1.00 0.00 O ATOM 917 CB GLN A 58 -1.540 11.464 18.325 1.00 0.00 C ATOM 918 CG GLN A 58 -1.095 12.715 19.064 1.00 0.00 C ATOM 919 CD GLN A 58 -1.760 12.861 20.418 1.00 0.00 C ATOM 920 OE1 GLN A 58 -1.228 12.417 21.436 1.00 0.00 O ATOM 921 NE2 GLN A 58 -2.932 13.486 20.438 1.00 0.00 N ATOM 0 H GLN A 58 -2.814 10.355 20.119 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.526 12.283 18.244 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.107 10.591 18.813 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.144 11.491 17.310 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.013 12.689 19.196 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.321 13.591 18.456 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.337 13.838 19.571 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.427 13.614 21.321 1.00 0.00 H new ATOM 930 N ASP A 59 -3.455 9.228 17.063 1.00 0.00 N ATOM 931 CA ASP A 59 -3.811 8.400 15.916 1.00 0.00 C ATOM 932 C ASP A 59 -5.217 8.729 15.424 1.00 0.00 C ATOM 933 O ASP A 59 -5.540 8.520 14.255 1.00 0.00 O ATOM 934 CB ASP A 59 -3.719 6.918 16.282 1.00 0.00 C ATOM 935 CG ASP A 59 -3.034 6.098 15.207 1.00 0.00 C ATOM 936 OD1 ASP A 59 -2.131 6.637 14.534 1.00 0.00 O ATOM 937 OD2 ASP A 59 -3.401 4.916 15.037 1.00 0.00 O ATOM 0 H ASP A 59 -3.217 8.703 17.904 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.106 8.612 15.113 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.173 6.811 17.219 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.722 6.525 16.451 1.00 0.00 H new ATOM 942 N ALA A 60 -6.048 9.244 16.324 1.00 0.00 N ATOM 943 CA ALA A 60 -7.419 9.602 15.980 1.00 0.00 C ATOM 944 C ALA A 60 -7.505 11.048 15.504 1.00 0.00 C ATOM 945 O ALA A 60 -8.584 11.540 15.170 1.00 0.00 O ATOM 946 CB ALA A 60 -8.336 9.382 17.174 1.00 0.00 C ATOM 0 H ALA A 60 -5.796 9.423 17.296 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.743 8.958 15.163 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.357 9.653 16.904 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.305 8.333 17.468 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.004 10.002 18.007 1.00 0.00 H new ATOM 952 N LEU A 61 -6.363 11.726 15.474 1.00 0.00 N ATOM 953 CA LEU A 61 -6.309 13.117 15.038 1.00 0.00 C ATOM 954 C LEU A 61 -5.061 13.378 14.201 1.00 0.00 C ATOM 955 O LEU A 61 -4.603 14.515 14.087 1.00 0.00 O ATOM 956 CB LEU A 61 -6.330 14.052 16.249 1.00 0.00 C ATOM 957 CG LEU A 61 -7.635 14.091 17.045 1.00 0.00 C ATOM 958 CD1 LEU A 61 -7.399 13.642 18.478 1.00 0.00 C ATOM 959 CD2 LEU A 61 -8.237 15.488 17.013 1.00 0.00 C ATOM 0 H LEU A 61 -5.461 11.335 15.747 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.185 13.313 14.420 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.525 13.759 16.923 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.106 15.062 15.907 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.342 13.402 16.582 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.339 13.676 19.029 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.013 12.623 18.481 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.676 14.305 18.953 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.165 15.497 17.584 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.534 16.197 17.451 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.443 15.772 15.981 1.00 0.00 H new ATOM 971 N LYS A 62 -4.516 12.317 13.615 1.00 0.00 N ATOM 972 CA LYS A 62 -3.323 12.430 12.784 1.00 0.00 C ATOM 973 C LYS A 62 -3.650 12.151 11.321 1.00 0.00 C ATOM 974 O LYS A 62 -3.199 12.867 10.427 1.00 0.00 O ATOM 975 CB LYS A 62 -2.244 11.460 13.271 1.00 0.00 C ATOM 976 CG LYS A 62 -1.068 12.147 13.944 1.00 0.00 C ATOM 977 CD LYS A 62 0.172 11.270 13.929 1.00 0.00 C ATOM 978 CE LYS A 62 -0.055 9.969 14.684 1.00 0.00 C ATOM 979 NZ LYS A 62 1.211 9.430 15.253 1.00 0.00 N ATOM 0 H LYS A 62 -4.882 11.369 13.700 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.949 13.451 12.865 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.691 10.754 13.971 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.879 10.880 12.423 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.856 13.088 13.436 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.329 12.392 14.973 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.451 11.050 12.898 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.006 11.810 14.376 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.772 10.136 15.488 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.494 9.231 14.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.033 8.495 15.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.921 9.342 14.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.564 10.076 15.987 1.00 0.00 H new ATOM 993 N ILE A 63 -4.438 11.107 11.084 1.00 0.00 N ATOM 994 CA ILE A 63 -4.827 10.735 9.730 1.00 0.00 C ATOM 995 C ILE A 63 -5.851 11.713 9.164 1.00 0.00 C ATOM 996 O ILE A 63 -6.150 11.694 7.971 1.00 0.00 O ATOM 997 CB ILE A 63 -5.413 9.312 9.682 1.00 0.00 C ATOM 998 CG1 ILE A 63 -4.359 8.289 10.113 1.00 0.00 C ATOM 999 CG2 ILE A 63 -5.925 8.996 8.285 1.00 0.00 C ATOM 1000 CD1 ILE A 63 -4.257 8.122 11.613 1.00 0.00 C ATOM 0 H ILE A 63 -4.819 10.504 11.813 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.922 10.767 9.123 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.252 9.257 10.376 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.595 7.325 9.663 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.388 8.593 9.723 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.336 7.987 8.268 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.703 9.709 8.013 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.103 9.065 7.572 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.491 7.382 11.845 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.990 9.076 12.068 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.216 7.787 12.008 1.00 0.00 H new ATOM 1012 N ASN A 64 -6.384 12.569 10.030 1.00 0.00 N ATOM 1013 CA ASN A 64 -7.374 13.557 9.617 1.00 0.00 C ATOM 1014 C ASN A 64 -6.954 14.237 8.317 1.00 0.00 C ATOM 1015 O ASN A 64 -7.791 14.561 7.473 1.00 0.00 O ATOM 1016 CB ASN A 64 -7.569 14.605 10.714 1.00 0.00 C ATOM 1017 CG ASN A 64 -6.417 15.590 10.784 1.00 0.00 C ATOM 1018 OD1 ASN A 64 -5.203 15.070 10.922 1.00 0.00 O flip ATOM 1019 ND2 ASN A 64 -6.618 16.802 10.715 1.00 0.00 N flip ATOM 0 H ASN A 64 -6.147 12.598 11.022 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.318 13.039 9.447 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.497 15.148 10.534 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.674 14.104 11.676 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.569 17.156 10.609 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.834 17.453 10.764 1.00 0.00 H new ATOM 1026 N THR A 65 -5.652 14.452 8.162 1.00 0.00 N ATOM 1027 CA THR A 65 -5.120 15.094 6.966 1.00 0.00 C ATOM 1028 C THR A 65 -4.322 14.107 6.121 1.00 0.00 C ATOM 1029 O THR A 65 -3.365 13.497 6.599 1.00 0.00 O ATOM 1030 CB THR A 65 -4.220 16.291 7.324 1.00 0.00 C ATOM 1031 OG1 THR A 65 -2.906 15.832 7.663 1.00 0.00 O ATOM 1032 CG2 THR A 65 -4.803 17.077 8.489 1.00 0.00 C ATOM 0 H THR A 65 -4.946 14.191 8.850 1.00 0.00 H new ATOM 0 HA THR A 65 -5.975 15.451 6.392 1.00 0.00 H new ATOM 0 HB THR A 65 -4.163 16.947 6.455 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.255 16.543 7.485 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.150 17.918 8.724 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.791 17.450 8.218 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.886 16.428 9.361 1.00 0.00 H new ATOM 1040 N VAL A 66 -4.720 13.955 4.862 1.00 0.00 N ATOM 1041 CA VAL A 66 -4.041 13.044 3.950 1.00 0.00 C ATOM 1042 C VAL A 66 -2.526 13.172 4.072 1.00 0.00 C ATOM 1043 O VAL A 66 -1.798 12.189 3.933 1.00 0.00 O ATOM 1044 CB VAL A 66 -4.450 13.304 2.488 1.00 0.00 C ATOM 1045 CG1 VAL A 66 -3.425 12.712 1.533 1.00 0.00 C ATOM 1046 CG2 VAL A 66 -5.836 12.738 2.215 1.00 0.00 C ATOM 0 H VAL A 66 -5.510 14.452 4.451 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.342 12.034 4.230 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.483 14.381 2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.731 12.906 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.452 13.169 1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.356 11.636 1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.110 12.930 1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.832 11.663 2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.560 13.215 2.876 1.00 0.00 H new ATOM 1056 N GLN A 67 -2.060 14.388 4.334 1.00 0.00 N ATOM 1057 CA GLN A 67 -0.631 14.644 4.475 1.00 0.00 C ATOM 1058 C GLN A 67 -0.080 13.976 5.730 1.00 0.00 C ATOM 1059 O GLN A 67 0.878 13.205 5.665 1.00 0.00 O ATOM 1060 CB GLN A 67 -0.364 16.150 4.525 1.00 0.00 C ATOM 1061 CG GLN A 67 0.843 16.581 3.708 1.00 0.00 C ATOM 1062 CD GLN A 67 2.154 16.337 4.430 1.00 0.00 C ATOM 1063 OE1 GLN A 67 2.611 17.173 5.210 1.00 0.00 O ATOM 1064 NE2 GLN A 67 2.766 15.187 4.173 1.00 0.00 N ATOM 0 H GLN A 67 -2.650 15.211 4.453 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.124 14.221 3.608 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.245 16.679 4.163 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.216 16.450 5.562 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.848 16.041 2.761 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.756 17.641 3.469 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.351 14.523 3.519 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.651 14.967 4.629 1.00 0.00 H new ATOM 1073 N ASP A 68 -0.690 14.276 6.871 1.00 0.00 N ATOM 1074 CA ASP A 68 -0.261 13.703 8.142 1.00 0.00 C ATOM 1075 C ASP A 68 -0.502 12.197 8.168 1.00 0.00 C ATOM 1076 O ASP A 68 0.191 11.460 8.869 1.00 0.00 O ATOM 1077 CB ASP A 68 -1.000 14.371 9.302 1.00 0.00 C ATOM 1078 CG ASP A 68 -0.612 15.826 9.475 1.00 0.00 C ATOM 1079 OD1 ASP A 68 0.549 16.171 9.171 1.00 0.00 O ATOM 1080 OD2 ASP A 68 -1.470 16.621 9.915 1.00 0.00 O ATOM 0 H ASP A 68 -1.483 14.913 6.942 1.00 0.00 H new ATOM 0 HA ASP A 68 0.808 13.883 8.251 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.074 14.302 9.132 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.788 13.829 10.224 1.00 0.00 H new ATOM 1085 N ALA A 69 -1.489 11.747 7.400 1.00 0.00 N ATOM 1086 CA ALA A 69 -1.820 10.330 7.335 1.00 0.00 C ATOM 1087 C ALA A 69 -0.655 9.519 6.777 1.00 0.00 C ATOM 1088 O ALA A 69 -0.075 8.687 7.476 1.00 0.00 O ATOM 1089 CB ALA A 69 -3.066 10.117 6.488 1.00 0.00 C ATOM 0 H ALA A 69 -2.073 12.344 6.814 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.019 9.982 8.349 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.301 9.053 6.448 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.903 10.658 6.930 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.887 10.487 5.478 1.00 0.00 H new ATOM 1095 N ILE A 70 -0.319 9.765 5.516 1.00 0.00 N ATOM 1096 CA ILE A 70 0.777 9.057 4.866 1.00 0.00 C ATOM 1097 C ILE A 70 2.082 9.240 5.634 1.00 0.00 C ATOM 1098 O ILE A 70 2.963 8.381 5.595 1.00 0.00 O ATOM 1099 CB ILE A 70 0.976 9.538 3.416 1.00 0.00 C ATOM 1100 CG1 ILE A 70 1.448 10.993 3.398 1.00 0.00 C ATOM 1101 CG2 ILE A 70 -0.314 9.384 2.625 1.00 0.00 C ATOM 1102 CD1 ILE A 70 2.953 11.140 3.373 1.00 0.00 C ATOM 0 H ILE A 70 -0.790 10.449 4.924 1.00 0.00 H new ATOM 0 HA ILE A 70 0.509 8.001 4.857 1.00 0.00 H new ATOM 0 HB ILE A 70 1.743 8.922 2.947 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.028 11.492 2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.056 11.505 4.277 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.157 9.728 1.603 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.611 8.335 2.613 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.100 9.978 3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.215 12.198 3.361 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.379 10.670 4.260 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.351 10.658 2.480 1.00 0.00 H new ATOM 1114 N ASP A 71 2.198 10.364 6.332 1.00 0.00 N ATOM 1115 CA ASP A 71 3.394 10.660 7.113 1.00 0.00 C ATOM 1116 C ASP A 71 3.371 9.916 8.444 1.00 0.00 C ATOM 1117 O ASP A 71 4.414 9.696 9.062 1.00 0.00 O ATOM 1118 CB ASP A 71 3.511 12.165 7.357 1.00 0.00 C ATOM 1119 CG ASP A 71 4.650 12.513 8.294 1.00 0.00 C ATOM 1120 OD1 ASP A 71 5.770 12.001 8.083 1.00 0.00 O ATOM 1121 OD2 ASP A 71 4.423 13.298 9.238 1.00 0.00 O ATOM 0 H ASP A 71 1.478 11.086 6.373 1.00 0.00 H new ATOM 0 HA ASP A 71 4.261 10.324 6.545 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.660 12.674 6.405 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.575 12.536 7.774 1.00 0.00 H new ATOM 1126 N TYR A 72 2.177 9.533 8.882 1.00 0.00 N ATOM 1127 CA TYR A 72 2.018 8.817 10.142 1.00 0.00 C ATOM 1128 C TYR A 72 2.368 7.341 9.978 1.00 0.00 C ATOM 1129 O TYR A 72 2.906 6.714 10.891 1.00 0.00 O ATOM 1130 CB TYR A 72 0.585 8.959 10.656 1.00 0.00 C ATOM 1131 CG TYR A 72 -0.061 7.642 11.021 1.00 0.00 C ATOM 1132 CD1 TYR A 72 0.313 6.956 12.169 1.00 0.00 C ATOM 1133 CD2 TYR A 72 -1.048 7.084 10.217 1.00 0.00 C ATOM 1134 CE1 TYR A 72 -0.274 5.751 12.505 1.00 0.00 C ATOM 1135 CE2 TYR A 72 -1.641 5.881 10.546 1.00 0.00 C ATOM 1136 CZ TYR A 72 -1.251 5.218 11.691 1.00 0.00 C ATOM 1137 OH TYR A 72 -1.839 4.019 12.023 1.00 0.00 O ATOM 0 H TYR A 72 1.305 9.707 8.383 1.00 0.00 H new ATOM 0 HA TYR A 72 2.702 9.255 10.868 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.585 9.609 11.531 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.019 9.451 9.893 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.076 7.372 12.810 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.356 7.600 9.320 1.00 0.00 H new ATOM 0 HE1 TYR A 72 0.031 5.230 13.400 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.406 5.461 9.910 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.508 3.784 11.346 1.00 0.00 H new ATOM 1147 N ILE A 73 2.057 6.793 8.808 1.00 0.00 N ATOM 1148 CA ILE A 73 2.340 5.392 8.523 1.00 0.00 C ATOM 1149 C ILE A 73 3.781 5.204 8.061 1.00 0.00 C ATOM 1150 O ILE A 73 4.381 4.153 8.281 1.00 0.00 O ATOM 1151 CB ILE A 73 1.391 4.834 7.446 1.00 0.00 C ATOM 1152 CG1 ILE A 73 1.758 5.397 6.071 1.00 0.00 C ATOM 1153 CG2 ILE A 73 -0.054 5.164 7.791 1.00 0.00 C ATOM 1154 CD1 ILE A 73 2.693 4.506 5.284 1.00 0.00 C ATOM 0 H ILE A 73 1.609 7.298 8.043 1.00 0.00 H new ATOM 0 HA ILE A 73 2.185 4.844 9.452 1.00 0.00 H new ATOM 0 HB ILE A 73 1.498 3.750 7.414 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.846 5.551 5.495 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.223 6.374 6.200 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.713 4.763 7.021 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.309 4.720 8.753 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.177 6.246 7.847 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.910 4.967 4.321 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.621 4.372 5.840 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.222 3.536 5.124 1.00 0.00 H new ATOM 1166 N GLU A 74 4.330 6.232 7.421 1.00 0.00 N ATOM 1167 CA GLU A 74 5.702 6.180 6.929 1.00 0.00 C ATOM 1168 C GLU A 74 6.696 6.415 8.063 1.00 0.00 C ATOM 1169 O GLU A 74 7.783 5.838 8.080 1.00 0.00 O ATOM 1170 CB GLU A 74 5.912 7.222 5.828 1.00 0.00 C ATOM 1171 CG GLU A 74 5.204 6.884 4.527 1.00 0.00 C ATOM 1172 CD GLU A 74 5.856 5.729 3.791 1.00 0.00 C ATOM 1173 OE1 GLU A 74 7.090 5.572 3.905 1.00 0.00 O ATOM 1174 OE2 GLU A 74 5.131 4.981 3.102 1.00 0.00 O ATOM 0 H GLU A 74 3.846 7.110 7.231 1.00 0.00 H new ATOM 0 HA GLU A 74 5.876 5.186 6.517 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.559 8.190 6.183 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.980 7.324 5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.164 6.635 4.738 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.197 7.763 3.883 1.00 0.00 H new ATOM 1181 N LYS A 75 6.314 7.266 9.009 1.00 0.00 N ATOM 1182 CA LYS A 75 7.170 7.578 10.148 1.00 0.00 C ATOM 1183 C LYS A 75 7.118 6.464 11.189 1.00 0.00 C ATOM 1184 O LYS A 75 8.123 6.146 11.822 1.00 0.00 O ATOM 1185 CB LYS A 75 6.745 8.903 10.783 1.00 0.00 C ATOM 1186 CG LYS A 75 5.472 8.803 11.606 1.00 0.00 C ATOM 1187 CD LYS A 75 4.898 10.176 11.915 1.00 0.00 C ATOM 1188 CE LYS A 75 5.699 10.884 12.997 1.00 0.00 C ATOM 1189 NZ LYS A 75 5.441 10.307 14.345 1.00 0.00 N ATOM 0 H LYS A 75 5.417 7.752 9.010 1.00 0.00 H new ATOM 0 HA LYS A 75 8.195 7.667 9.787 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.552 9.266 11.420 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.602 9.644 9.996 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.733 8.212 11.065 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.680 8.277 12.538 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.893 10.782 11.009 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.861 10.074 12.236 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.762 10.811 12.768 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.446 11.944 13.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.868 10.917 15.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.415 10.244 14.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.859 9.357 14.402 1.00 0.00 H new ATOM 1203 N ASN A 76 5.939 5.873 11.359 1.00 0.00 N ATOM 1204 CA ASN A 76 5.757 4.794 12.322 1.00 0.00 C ATOM 1205 C ASN A 76 6.156 3.451 11.717 1.00 0.00 C ATOM 1206 O ASN A 76 7.211 2.905 12.035 1.00 0.00 O ATOM 1207 CB ASN A 76 4.302 4.742 12.792 1.00 0.00 C ATOM 1208 CG ASN A 76 3.957 5.879 13.734 1.00 0.00 C ATOM 1209 OD1 ASN A 76 4.832 6.631 14.163 1.00 0.00 O ATOM 1210 ND2 ASN A 76 2.677 6.009 14.062 1.00 0.00 N ATOM 0 H ASN A 76 5.096 6.124 10.842 1.00 0.00 H new ATOM 0 HA ASN A 76 6.402 4.992 13.178 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.642 4.779 11.925 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.119 3.791 13.292 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.386 6.755 14.693 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.985 5.363 13.683 1.00 0.00 H new ATOM 1217 N ASN A 77 5.304 2.926 10.843 1.00 0.00 N ATOM 1218 CA ASN A 77 5.567 1.647 10.193 1.00 0.00 C ATOM 1219 C ASN A 77 6.881 1.691 9.418 1.00 0.00 C ATOM 1220 O ASN A 77 6.953 2.257 8.327 1.00 0.00 O ATOM 1221 CB ASN A 77 4.418 1.285 9.250 1.00 0.00 C ATOM 1222 CG ASN A 77 3.059 1.572 9.858 1.00 0.00 C ATOM 1223 OD1 ASN A 77 2.295 2.388 9.341 1.00 0.00 O ATOM 1224 ND2 ASN A 77 2.750 0.900 10.961 1.00 0.00 N ATOM 0 H ASN A 77 4.426 3.366 10.568 1.00 0.00 H new ATOM 0 HA ASN A 77 5.647 0.884 10.967 1.00 0.00 H new ATOM 0 HB2 ASN A 77 4.523 1.846 8.321 1.00 0.00 H new ATOM 0 HB3 ASN A 77 4.482 0.228 8.993 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.849 1.051 11.414 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.414 0.233 11.355 1.00 0.00 H new