USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 857 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 51 SER OG : rot 68:sc= 1.26 USER MOD Set 1.2: A 75 GLN : amide:sc= -0.293 K(o=0.97,f=-0.25!) USER MOD Set 2.1: A 20 CYS SG : rot 50:sc= 1.46 USER MOD Set 2.2: A 44 ASN : amide:sc= -0.745 K(o=2,f=0.94) USER MOD Set 2.3: A 55 SER OG : rot -137:sc= 1.24 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= -0.243 (180deg=-0.28) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00281 USER MOD Single : A 3 GLN : amide:sc= -0.225 K(o=-0.22,f=-9.1!) USER MOD Single : A 5 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0188) USER MOD Single : A 8 CYS SG : rot 180:sc= -0.0514 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -130:sc= -0.0882 USER MOD Single : A 27 GLN : amide:sc= 0.153 K(o=0.15,f=-6.6!) USER MOD Single : A 34 TYR OH : rot 49:sc= 1.34 USER MOD Single : A 35 HIS : no HD1:sc= -0.0643 X(o=-0.064,f=-0.22) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0.687 K(o=0.69,f=-0.026) USER MOD Single : A 43 SER OG : rot -96:sc= 1.23 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0582 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.0851 X(o=-0.085,f=-0.039) USER MOD Single : A 70 SER OG : rot 121:sc= 0.0755 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.02) USER MOD Single : A 80 SER OG : rot -166:sc= -0.21! USER MOD Single : A 84 CYS SG : rot -79:sc= -1.41! USER MOD Single : A 85 MET CE :methyl 153:sc= -0.222 (180deg=-0.903) USER MOD Single : A 89 GLN : amide:sc= -0.143 K(o=-0.14,f=-4.7!) USER MOD Single : A 91 SER OG : rot 80:sc= 0.642 USER MOD Single : A 93 LYS NZ :NH3+ 166:sc= -0.0511 (180deg=-0.327) USER MOD Single : A 94 HIS : no HD1:sc= -0.0989 X(o=-0.099,f=-0.033) USER MOD Single : A 95 TYR OH : rot -145:sc= 0.323 USER MOD Single : A 100 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0181) USER MOD Single : A 105 GLN : amide:sc= -1.86 K(o=-1.9,f=-4.9!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.702 8.287 10.686 1.00 0.00 N ATOM 2 CA MET A 1 -16.322 8.673 10.301 1.00 0.00 C ATOM 3 C MET A 1 -15.582 7.492 9.680 1.00 0.00 C ATOM 4 O MET A 1 -14.354 7.489 9.593 1.00 0.00 O ATOM 5 CB MET A 1 -15.549 9.193 11.518 1.00 0.00 C ATOM 6 CG MET A 1 -16.059 10.529 12.036 1.00 0.00 C ATOM 7 SD MET A 1 -15.135 11.126 13.463 1.00 0.00 S ATOM 8 CE MET A 1 -15.942 12.699 13.756 1.00 0.00 C ATOM 0 H1 MET A 1 -18.170 9.090 11.152 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.238 8.020 9.836 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.667 7.480 11.340 1.00 0.00 H new ATOM 0 HA MET A 1 -16.390 9.469 9.560 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.609 8.455 12.318 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.496 9.293 11.254 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.002 11.268 11.237 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.111 10.431 12.305 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.480 13.191 14.612 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.838 13.331 12.874 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.000 12.533 13.960 1.00 0.00 H new ATOM 17 N SER A 2 -16.329 6.492 9.237 1.00 0.00 N ATOM 18 CA SER A 2 -15.743 5.334 8.590 1.00 0.00 C ATOM 19 C SER A 2 -16.025 5.345 7.093 1.00 0.00 C ATOM 20 O SER A 2 -16.801 4.532 6.587 1.00 0.00 O ATOM 21 CB SER A 2 -16.270 4.050 9.230 1.00 0.00 C ATOM 22 OG SER A 2 -17.609 4.222 9.673 1.00 0.00 O ATOM 0 H SER A 2 -17.346 6.462 9.315 1.00 0.00 H new ATOM 0 HA SER A 2 -14.662 5.374 8.726 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.222 3.233 8.510 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.636 3.771 10.072 1.00 0.00 H new ATOM 0 HG SER A 2 -17.929 3.389 10.078 1.00 0.00 H new ATOM 28 N GLN A 3 -15.414 6.291 6.394 1.00 0.00 N ATOM 29 CA GLN A 3 -15.558 6.380 4.952 1.00 0.00 C ATOM 30 C GLN A 3 -14.769 5.272 4.265 1.00 0.00 C ATOM 31 O GLN A 3 -13.608 5.456 3.896 1.00 0.00 O ATOM 32 CB GLN A 3 -15.109 7.749 4.419 1.00 0.00 C ATOM 33 CG GLN A 3 -16.093 8.884 4.680 1.00 0.00 C ATOM 34 CD GLN A 3 -15.932 9.532 6.045 1.00 0.00 C ATOM 35 OE1 GLN A 3 -15.511 8.903 7.010 1.00 0.00 O ATOM 36 NE2 GLN A 3 -16.275 10.806 6.128 1.00 0.00 N ATOM 0 H GLN A 3 -14.814 7.007 6.804 1.00 0.00 H new ATOM 0 HA GLN A 3 -16.617 6.260 4.724 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -14.151 8.004 4.872 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -14.943 7.669 3.345 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -15.968 9.645 3.910 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -17.109 8.500 4.588 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -16.621 11.296 5.303 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -16.193 11.299 7.017 1.00 0.00 H new ATOM 45 N TRP A 4 -15.390 4.108 4.147 1.00 0.00 N ATOM 46 CA TRP A 4 -14.819 3.010 3.388 1.00 0.00 C ATOM 47 C TRP A 4 -15.214 3.150 1.929 1.00 0.00 C ATOM 48 O TRP A 4 -16.327 2.790 1.544 1.00 0.00 O ATOM 49 CB TRP A 4 -15.302 1.658 3.923 1.00 0.00 C ATOM 50 CG TRP A 4 -14.776 1.309 5.282 1.00 0.00 C ATOM 51 CD1 TRP A 4 -15.385 1.533 6.484 1.00 0.00 C ATOM 52 CD2 TRP A 4 -13.535 0.659 5.577 1.00 0.00 C ATOM 53 NE1 TRP A 4 -14.592 1.067 7.506 1.00 0.00 N ATOM 54 CE2 TRP A 4 -13.453 0.528 6.974 1.00 0.00 C ATOM 55 CE3 TRP A 4 -12.482 0.180 4.794 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -12.364 -0.067 7.604 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -11.403 -0.409 5.420 1.00 0.00 C ATOM 58 CH2 TRP A 4 -11.348 -0.526 6.813 1.00 0.00 C ATOM 0 H TRP A 4 -16.294 3.901 4.570 1.00 0.00 H new ATOM 0 HA TRP A 4 -13.734 3.048 3.488 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -16.391 1.663 3.958 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -15.009 0.877 3.221 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -16.347 2.006 6.613 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -14.817 1.115 8.500 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -12.512 0.269 3.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -12.323 -0.163 8.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -10.586 -0.787 4.824 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -10.486 -0.988 7.272 1.00 0.00 H new ATOM 69 N LYS A 5 -14.319 3.701 1.126 1.00 0.00 N ATOM 70 CA LYS A 5 -14.613 3.911 -0.280 1.00 0.00 C ATOM 71 C LYS A 5 -14.517 2.597 -1.039 1.00 0.00 C ATOM 72 O LYS A 5 -13.528 1.870 -0.921 1.00 0.00 O ATOM 73 CB LYS A 5 -13.671 4.948 -0.895 1.00 0.00 C ATOM 74 CG LYS A 5 -14.073 5.369 -2.303 1.00 0.00 C ATOM 75 CD LYS A 5 -13.146 6.436 -2.863 1.00 0.00 C ATOM 76 CE LYS A 5 -13.646 6.970 -4.197 1.00 0.00 C ATOM 77 NZ LYS A 5 -13.677 5.923 -5.252 1.00 0.00 N ATOM 0 H LYS A 5 -13.392 4.008 1.420 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.631 4.293 -0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.644 5.829 -0.254 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.660 4.541 -0.920 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.062 4.499 -2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -15.095 5.747 -2.291 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.063 7.257 -2.150 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.146 6.020 -2.989 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.647 7.382 -4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.004 7.789 -4.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.943 6.353 -6.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.736 5.488 -5.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.374 5.194 -4.997 1.00 0.00 H new ATOM 91 N ASP A 6 -15.555 2.304 -1.801 1.00 0.00 N ATOM 92 CA ASP A 6 -15.619 1.091 -2.603 1.00 0.00 C ATOM 93 C ASP A 6 -14.768 1.266 -3.857 1.00 0.00 C ATOM 94 O ASP A 6 -15.199 1.901 -4.822 1.00 0.00 O ATOM 95 CB ASP A 6 -17.082 0.812 -2.975 1.00 0.00 C ATOM 96 CG ASP A 6 -17.296 -0.526 -3.650 1.00 0.00 C ATOM 97 OD1 ASP A 6 -17.019 -0.640 -4.860 1.00 0.00 O ATOM 98 OD2 ASP A 6 -17.782 -1.461 -2.974 1.00 0.00 O ATOM 0 H ASP A 6 -16.379 2.899 -1.883 1.00 0.00 H new ATOM 0 HA ASP A 6 -15.231 0.245 -2.036 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.691 0.855 -2.072 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.436 1.603 -3.636 1.00 0.00 H new ATOM 103 N ILE A 7 -13.543 0.744 -3.826 1.00 0.00 N ATOM 104 CA ILE A 7 -12.600 0.952 -4.918 1.00 0.00 C ATOM 105 C ILE A 7 -12.909 0.030 -6.093 1.00 0.00 C ATOM 106 O ILE A 7 -13.562 0.431 -7.058 1.00 0.00 O ATOM 107 CB ILE A 7 -11.140 0.720 -4.462 1.00 0.00 C ATOM 108 CG1 ILE A 7 -10.846 1.506 -3.180 1.00 0.00 C ATOM 109 CG2 ILE A 7 -10.163 1.117 -5.563 1.00 0.00 C ATOM 110 CD1 ILE A 7 -10.998 3.003 -3.333 1.00 0.00 C ATOM 0 H ILE A 7 -13.183 0.176 -3.059 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.709 1.989 -5.234 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.012 -0.342 -4.255 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -11.515 1.161 -2.392 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.830 1.285 -2.854 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.142 0.946 -5.222 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.354 0.517 -6.453 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.294 2.172 -5.802 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.774 3.490 -2.384 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.309 3.362 -4.097 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -12.021 3.237 -3.628 1.00 0.00 H new ATOM 122 N CYS A 8 -12.449 -1.206 -5.993 1.00 0.00 N ATOM 123 CA CYS A 8 -12.635 -2.188 -7.045 1.00 0.00 C ATOM 124 C CYS A 8 -12.647 -3.582 -6.442 1.00 0.00 C ATOM 125 O CYS A 8 -12.318 -3.756 -5.268 1.00 0.00 O ATOM 126 CB CYS A 8 -11.521 -2.065 -8.087 1.00 0.00 C ATOM 127 SG CYS A 8 -9.851 -2.176 -7.402 1.00 0.00 S ATOM 0 H CYS A 8 -11.938 -1.555 -5.182 1.00 0.00 H new ATOM 0 HA CYS A 8 -13.589 -2.007 -7.541 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.649 -2.849 -8.833 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.627 -1.112 -8.605 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.980 -2.063 -8.361 1.00 0.00 H new ATOM 133 N LYS A 9 -13.026 -4.575 -7.228 1.00 0.00 N ATOM 134 CA LYS A 9 -13.096 -5.936 -6.725 1.00 0.00 C ATOM 135 C LYS A 9 -11.700 -6.538 -6.615 1.00 0.00 C ATOM 136 O LYS A 9 -10.818 -6.229 -7.416 1.00 0.00 O ATOM 137 CB LYS A 9 -13.974 -6.805 -7.628 1.00 0.00 C ATOM 138 CG LYS A 9 -15.385 -6.265 -7.813 1.00 0.00 C ATOM 139 CD LYS A 9 -16.275 -7.247 -8.562 1.00 0.00 C ATOM 140 CE LYS A 9 -15.704 -7.612 -9.925 1.00 0.00 C ATOM 141 NZ LYS A 9 -16.619 -8.501 -10.686 1.00 0.00 N ATOM 0 H LYS A 9 -13.288 -4.467 -8.208 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.544 -5.906 -5.732 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.498 -6.895 -8.604 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.031 -7.809 -7.207 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.822 -6.050 -6.838 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.344 -5.323 -8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.397 -8.152 -7.967 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -17.267 -6.813 -8.689 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.521 -6.703 -10.498 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -14.741 -8.106 -9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -16.195 -8.727 -11.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -16.774 -9.379 -10.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -17.529 -8.019 -10.832 1.00 0.00 H new ATOM 155 N ILE A 10 -11.512 -7.410 -5.629 1.00 0.00 N ATOM 156 CA ILE A 10 -10.231 -8.079 -5.414 1.00 0.00 C ATOM 157 C ILE A 10 -9.888 -8.956 -6.620 1.00 0.00 C ATOM 158 O ILE A 10 -8.737 -9.337 -6.832 1.00 0.00 O ATOM 159 CB ILE A 10 -10.259 -8.934 -4.121 1.00 0.00 C ATOM 160 CG1 ILE A 10 -8.859 -9.435 -3.768 1.00 0.00 C ATOM 161 CG2 ILE A 10 -11.220 -10.109 -4.263 1.00 0.00 C ATOM 162 CD1 ILE A 10 -7.879 -8.325 -3.459 1.00 0.00 C ATOM 0 H ILE A 10 -12.237 -7.672 -4.961 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.462 -7.315 -5.298 1.00 0.00 H new ATOM 0 HB ILE A 10 -10.613 -8.297 -3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.926 -10.099 -2.906 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.474 -10.028 -4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.220 -10.692 -3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -12.226 -9.735 -4.456 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.902 -10.741 -5.092 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.907 -8.755 -3.217 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.782 -7.673 -4.327 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.241 -7.746 -2.609 1.00 0.00 H new ATOM 174 N ASP A 11 -10.913 -9.249 -7.412 1.00 0.00 N ATOM 175 CA ASP A 11 -10.771 -10.019 -8.641 1.00 0.00 C ATOM 176 C ASP A 11 -9.878 -9.284 -9.644 1.00 0.00 C ATOM 177 O ASP A 11 -9.173 -9.909 -10.440 1.00 0.00 O ATOM 178 CB ASP A 11 -12.163 -10.269 -9.240 1.00 0.00 C ATOM 179 CG ASP A 11 -12.131 -11.028 -10.553 1.00 0.00 C ATOM 180 OD1 ASP A 11 -12.139 -12.276 -10.526 1.00 0.00 O ATOM 181 OD2 ASP A 11 -12.136 -10.376 -11.618 1.00 0.00 O ATOM 0 H ASP A 11 -11.871 -8.957 -7.218 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.296 -10.974 -8.413 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.764 -10.827 -8.522 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.660 -9.311 -9.395 1.00 0.00 H new ATOM 186 N ASP A 12 -9.885 -7.956 -9.577 1.00 0.00 N ATOM 187 CA ASP A 12 -9.121 -7.135 -10.512 1.00 0.00 C ATOM 188 C ASP A 12 -7.639 -7.136 -10.169 1.00 0.00 C ATOM 189 O ASP A 12 -6.791 -7.415 -11.017 1.00 0.00 O ATOM 190 CB ASP A 12 -9.649 -5.700 -10.527 1.00 0.00 C ATOM 191 CG ASP A 12 -8.857 -4.808 -11.464 1.00 0.00 C ATOM 192 OD1 ASP A 12 -9.028 -4.931 -12.696 1.00 0.00 O ATOM 193 OD2 ASP A 12 -8.049 -3.992 -10.979 1.00 0.00 O ATOM 0 H ASP A 12 -10.412 -7.424 -8.884 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.243 -7.570 -11.504 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.696 -5.703 -10.830 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.610 -5.290 -9.518 1.00 0.00 H new ATOM 198 N ILE A 13 -7.344 -6.816 -8.924 1.00 0.00 N ATOM 199 CA ILE A 13 -5.968 -6.769 -8.443 1.00 0.00 C ATOM 200 C ILE A 13 -5.440 -8.179 -8.236 1.00 0.00 C ATOM 201 O ILE A 13 -5.883 -8.892 -7.336 1.00 0.00 O ATOM 202 CB ILE A 13 -5.854 -5.979 -7.122 1.00 0.00 C ATOM 203 CG1 ILE A 13 -6.515 -4.606 -7.269 1.00 0.00 C ATOM 204 CG2 ILE A 13 -4.388 -5.831 -6.721 1.00 0.00 C ATOM 205 CD1 ILE A 13 -6.570 -3.814 -5.978 1.00 0.00 C ATOM 0 H ILE A 13 -8.042 -6.582 -8.218 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.372 -6.258 -9.199 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.372 -6.528 -6.336 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.970 -4.029 -8.016 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.529 -4.739 -7.646 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.321 -5.272 -5.788 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.946 -6.818 -6.585 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.849 -5.297 -7.503 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.051 -2.853 -6.161 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.140 -4.370 -5.234 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.558 -3.648 -5.609 1.00 0.00 H new ATOM 217 N LEU A 14 -4.507 -8.578 -9.084 1.00 0.00 N ATOM 218 CA LEU A 14 -3.956 -9.925 -9.046 1.00 0.00 C ATOM 219 C LEU A 14 -3.015 -10.092 -7.856 1.00 0.00 C ATOM 220 O LEU A 14 -2.503 -9.106 -7.323 1.00 0.00 O ATOM 221 CB LEU A 14 -3.208 -10.217 -10.353 1.00 0.00 C ATOM 222 CG LEU A 14 -4.027 -10.020 -11.630 1.00 0.00 C ATOM 223 CD1 LEU A 14 -3.185 -10.333 -12.856 1.00 0.00 C ATOM 224 CD2 LEU A 14 -5.274 -10.889 -11.605 1.00 0.00 C ATOM 0 H LEU A 14 -4.112 -7.984 -9.813 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.777 -10.633 -8.935 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.329 -9.574 -10.401 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.849 -11.246 -10.326 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.337 -8.976 -11.681 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.784 -10.188 -13.755 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.321 -9.669 -12.884 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.845 -11.368 -12.810 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.843 -10.735 -12.522 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.985 -11.937 -11.529 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.889 -10.619 -10.746 1.00 0.00 H new ATOM 236 N PRO A 15 -2.789 -11.338 -7.411 1.00 0.00 N ATOM 237 CA PRO A 15 -1.832 -11.638 -6.340 1.00 0.00 C ATOM 238 C PRO A 15 -0.433 -11.115 -6.670 1.00 0.00 C ATOM 239 O PRO A 15 0.037 -11.262 -7.803 1.00 0.00 O ATOM 240 CB PRO A 15 -1.837 -13.174 -6.263 1.00 0.00 C ATOM 241 CG PRO A 15 -2.475 -13.629 -7.530 1.00 0.00 C ATOM 242 CD PRO A 15 -3.451 -12.554 -7.905 1.00 0.00 C ATOM 0 HA PRO A 15 -2.105 -11.162 -5.398 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.824 -13.566 -6.170 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.395 -13.522 -5.394 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.731 -13.772 -8.313 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.980 -14.585 -7.392 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.619 -12.516 -8.981 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.423 -12.706 -7.436 1.00 0.00 H new ATOM 250 N GLU A 16 0.209 -10.501 -5.676 1.00 0.00 N ATOM 251 CA GLU A 16 1.522 -9.871 -5.841 1.00 0.00 C ATOM 252 C GLU A 16 1.459 -8.703 -6.822 1.00 0.00 C ATOM 253 O GLU A 16 2.336 -8.545 -7.677 1.00 0.00 O ATOM 254 CB GLU A 16 2.581 -10.880 -6.290 1.00 0.00 C ATOM 255 CG GLU A 16 2.995 -11.862 -5.209 1.00 0.00 C ATOM 256 CD GLU A 16 4.217 -12.661 -5.605 1.00 0.00 C ATOM 257 OE1 GLU A 16 5.346 -12.193 -5.352 1.00 0.00 O ATOM 258 OE2 GLU A 16 4.054 -13.758 -6.180 1.00 0.00 O ATOM 0 H GLU A 16 -0.167 -10.426 -4.731 1.00 0.00 H new ATOM 0 HA GLU A 16 1.813 -9.486 -4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.198 -11.437 -7.145 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.463 -10.338 -6.631 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.200 -11.320 -4.286 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.169 -12.542 -5.002 1.00 0.00 H new ATOM 265 N THR A 17 0.434 -7.872 -6.680 1.00 0.00 N ATOM 266 CA THR A 17 0.277 -6.703 -7.532 1.00 0.00 C ATOM 267 C THR A 17 -0.117 -5.482 -6.703 1.00 0.00 C ATOM 268 O THR A 17 -0.983 -5.564 -5.830 1.00 0.00 O ATOM 269 CB THR A 17 -0.791 -6.934 -8.622 1.00 0.00 C ATOM 270 OG1 THR A 17 -0.626 -8.231 -9.210 1.00 0.00 O ATOM 271 CG2 THR A 17 -0.703 -5.873 -9.708 1.00 0.00 C ATOM 0 H THR A 17 -0.301 -7.987 -5.982 1.00 0.00 H new ATOM 0 HA THR A 17 1.239 -6.527 -8.014 1.00 0.00 H new ATOM 0 HB THR A 17 -1.771 -6.869 -8.149 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.617 -8.149 -10.187 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.467 -6.060 -10.463 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.861 -4.888 -9.268 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.282 -5.909 -10.173 1.00 0.00 H new ATOM 279 N GLY A 18 0.549 -4.365 -6.956 1.00 0.00 N ATOM 280 CA GLY A 18 0.178 -3.113 -6.332 1.00 0.00 C ATOM 281 C GLY A 18 -0.248 -2.095 -7.366 1.00 0.00 C ATOM 282 O GLY A 18 0.414 -1.935 -8.392 1.00 0.00 O ATOM 0 H GLY A 18 1.347 -4.304 -7.588 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.636 -3.282 -5.626 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.021 -2.724 -5.760 1.00 0.00 H new ATOM 286 N VAL A 19 -1.348 -1.407 -7.109 1.00 0.00 N ATOM 287 CA VAL A 19 -1.930 -0.509 -8.099 1.00 0.00 C ATOM 288 C VAL A 19 -2.158 0.891 -7.533 1.00 0.00 C ATOM 289 O VAL A 19 -2.145 1.093 -6.316 1.00 0.00 O ATOM 290 CB VAL A 19 -3.270 -1.059 -8.640 1.00 0.00 C ATOM 291 CG1 VAL A 19 -3.060 -2.390 -9.347 1.00 0.00 C ATOM 292 CG2 VAL A 19 -4.289 -1.202 -7.516 1.00 0.00 C ATOM 0 H VAL A 19 -1.857 -1.451 -6.226 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.211 -0.445 -8.915 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.661 -0.345 -9.365 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.016 -2.759 -9.720 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.373 -2.254 -10.182 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.641 -3.112 -8.646 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.224 -1.590 -7.920 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.905 -1.890 -6.763 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.467 -0.228 -7.061 1.00 0.00 H new ATOM 302 N CYS A 20 -2.370 1.850 -8.429 1.00 0.00 N ATOM 303 CA CYS A 20 -2.630 3.229 -8.041 1.00 0.00 C ATOM 304 C CYS A 20 -4.129 3.482 -7.946 1.00 0.00 C ATOM 305 O CYS A 20 -4.867 3.264 -8.910 1.00 0.00 O ATOM 306 CB CYS A 20 -2.016 4.192 -9.061 1.00 0.00 C ATOM 307 SG CYS A 20 -0.257 3.920 -9.377 1.00 0.00 S ATOM 0 H CYS A 20 -2.366 1.693 -9.437 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.176 3.400 -7.065 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.560 4.102 -10.001 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -2.156 5.214 -8.708 1.00 0.00 H new ATOM 0 HG CYS A 20 -0.051 2.662 -9.630 1.00 0.00 H new ATOM 313 N ALA A 21 -4.577 3.927 -6.783 1.00 0.00 N ATOM 314 CA ALA A 21 -5.975 4.268 -6.583 1.00 0.00 C ATOM 315 C ALA A 21 -6.090 5.645 -5.943 1.00 0.00 C ATOM 316 O ALA A 21 -5.249 6.030 -5.130 1.00 0.00 O ATOM 317 CB ALA A 21 -6.661 3.220 -5.718 1.00 0.00 C ATOM 0 H ALA A 21 -3.989 4.061 -5.960 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.472 4.290 -7.553 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.707 3.492 -5.579 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.600 2.248 -6.207 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.167 3.169 -4.748 1.00 0.00 H new ATOM 323 N LEU A 22 -7.111 6.395 -6.318 1.00 0.00 N ATOM 324 CA LEU A 22 -7.301 7.727 -5.768 1.00 0.00 C ATOM 325 C LEU A 22 -8.401 7.726 -4.718 1.00 0.00 C ATOM 326 O LEU A 22 -9.569 7.490 -5.024 1.00 0.00 O ATOM 327 CB LEU A 22 -7.635 8.731 -6.873 1.00 0.00 C ATOM 328 CG LEU A 22 -6.512 8.994 -7.878 1.00 0.00 C ATOM 329 CD1 LEU A 22 -6.960 10.004 -8.923 1.00 0.00 C ATOM 330 CD2 LEU A 22 -5.263 9.488 -7.163 1.00 0.00 C ATOM 0 H LEU A 22 -7.817 6.108 -6.996 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.366 8.028 -5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.509 8.372 -7.416 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.914 9.677 -6.409 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.274 8.057 -8.382 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.149 10.180 -9.630 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.828 9.616 -9.455 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.224 10.941 -8.433 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.474 9.670 -7.893 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.489 10.414 -6.634 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.930 8.734 -6.449 1.00 0.00 H new ATOM 342 N LEU A 23 -8.020 7.979 -3.480 1.00 0.00 N ATOM 343 CA LEU A 23 -8.981 8.087 -2.400 1.00 0.00 C ATOM 344 C LEU A 23 -9.352 9.547 -2.210 1.00 0.00 C ATOM 345 O LEU A 23 -8.768 10.246 -1.380 1.00 0.00 O ATOM 346 CB LEU A 23 -8.406 7.506 -1.105 1.00 0.00 C ATOM 347 CG LEU A 23 -9.345 7.527 0.102 1.00 0.00 C ATOM 348 CD1 LEU A 23 -10.545 6.628 -0.135 1.00 0.00 C ATOM 349 CD2 LEU A 23 -8.602 7.095 1.352 1.00 0.00 C ATOM 0 H LEU A 23 -7.049 8.114 -3.197 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.874 7.516 -2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.106 6.475 -1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.502 8.059 -0.849 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.704 8.547 0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.200 6.658 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.092 6.975 -1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.206 5.605 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.281 7.114 2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.219 6.084 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.771 7.776 1.535 1.00 0.00 H new ATOM 361 N GLY A 24 -10.291 10.015 -3.017 1.00 0.00 N ATOM 362 CA GLY A 24 -10.676 11.407 -2.971 1.00 0.00 C ATOM 363 C GLY A 24 -9.593 12.302 -3.539 1.00 0.00 C ATOM 364 O GLY A 24 -9.495 12.474 -4.753 1.00 0.00 O ATOM 0 H GLY A 24 -10.794 9.453 -3.704 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.599 11.549 -3.533 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.883 11.694 -1.940 1.00 0.00 H new ATOM 368 N ASP A 25 -8.768 12.853 -2.661 1.00 0.00 N ATOM 369 CA ASP A 25 -7.670 13.719 -3.080 1.00 0.00 C ATOM 370 C ASP A 25 -6.324 13.055 -2.819 1.00 0.00 C ATOM 371 O ASP A 25 -5.277 13.576 -3.209 1.00 0.00 O ATOM 372 CB ASP A 25 -7.734 15.061 -2.339 1.00 0.00 C ATOM 373 CG ASP A 25 -8.870 15.942 -2.815 1.00 0.00 C ATOM 374 OD1 ASP A 25 -10.025 15.719 -2.394 1.00 0.00 O ATOM 375 OD2 ASP A 25 -8.612 16.861 -3.619 1.00 0.00 O ATOM 0 H ASP A 25 -8.836 12.717 -1.652 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.772 13.895 -4.151 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.847 14.876 -1.271 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.790 15.590 -2.472 1.00 0.00 H new ATOM 380 N GLU A 26 -6.357 11.900 -2.170 1.00 0.00 N ATOM 381 CA GLU A 26 -5.136 11.221 -1.760 1.00 0.00 C ATOM 382 C GLU A 26 -4.776 10.088 -2.715 1.00 0.00 C ATOM 383 O GLU A 26 -5.646 9.345 -3.175 1.00 0.00 O ATOM 384 CB GLU A 26 -5.289 10.674 -0.341 1.00 0.00 C ATOM 385 CG GLU A 26 -5.594 11.746 0.692 1.00 0.00 C ATOM 386 CD GLU A 26 -5.626 11.205 2.105 1.00 0.00 C ATOM 387 OE1 GLU A 26 -4.540 11.027 2.699 1.00 0.00 O ATOM 388 OE2 GLU A 26 -6.732 10.971 2.634 1.00 0.00 O ATOM 0 H GLU A 26 -7.216 11.413 -1.916 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.327 11.951 -1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.088 9.932 -0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.371 10.158 -0.058 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.842 12.533 0.626 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.556 12.204 0.461 1.00 0.00 H new ATOM 395 N GLN A 27 -3.488 9.966 -3.010 1.00 0.00 N ATOM 396 CA GLN A 27 -2.994 8.904 -3.871 1.00 0.00 C ATOM 397 C GLN A 27 -2.649 7.681 -3.031 1.00 0.00 C ATOM 398 O GLN A 27 -1.686 7.696 -2.264 1.00 0.00 O ATOM 399 CB GLN A 27 -1.756 9.354 -4.663 1.00 0.00 C ATOM 400 CG GLN A 27 -1.988 10.565 -5.559 1.00 0.00 C ATOM 401 CD GLN A 27 -1.721 11.889 -4.862 1.00 0.00 C ATOM 402 OE1 GLN A 27 -1.850 12.011 -3.645 1.00 0.00 O ATOM 403 NE2 GLN A 27 -1.349 12.897 -5.633 1.00 0.00 N ATOM 0 H GLN A 27 -2.764 10.595 -2.662 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.779 8.654 -4.584 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.955 9.585 -3.961 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.411 8.523 -5.278 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.345 10.488 -6.436 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.018 10.552 -5.917 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.252 12.761 -6.639 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.159 13.811 -5.221 1.00 0.00 H new ATOM 412 N VAL A 28 -3.433 6.627 -3.180 1.00 0.00 N ATOM 413 CA VAL A 28 -3.257 5.426 -2.381 1.00 0.00 C ATOM 414 C VAL A 28 -2.721 4.283 -3.235 1.00 0.00 C ATOM 415 O VAL A 28 -3.165 4.074 -4.366 1.00 0.00 O ATOM 416 CB VAL A 28 -4.586 4.991 -1.724 1.00 0.00 C ATOM 417 CG1 VAL A 28 -4.376 3.797 -0.805 1.00 0.00 C ATOM 418 CG2 VAL A 28 -5.213 6.150 -0.965 1.00 0.00 C ATOM 0 H VAL A 28 -4.201 6.579 -3.850 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.537 5.661 -1.597 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.271 4.689 -2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.327 3.512 -0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.981 2.960 -1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.669 4.063 -0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.148 5.823 -0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.529 6.488 -0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.412 6.971 -1.654 1.00 0.00 H new ATOM 428 N ALA A 29 -1.755 3.564 -2.699 1.00 0.00 N ATOM 429 CA ALA A 29 -1.217 2.398 -3.367 1.00 0.00 C ATOM 430 C ALA A 29 -1.745 1.136 -2.704 1.00 0.00 C ATOM 431 O ALA A 29 -1.376 0.818 -1.571 1.00 0.00 O ATOM 432 CB ALA A 29 0.303 2.422 -3.346 1.00 0.00 C ATOM 0 H ALA A 29 -1.325 3.769 -1.797 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.538 2.408 -4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.688 1.537 -3.853 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.660 3.317 -3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.653 2.429 -2.314 1.00 0.00 H new ATOM 438 N ILE A 30 -2.636 0.443 -3.397 1.00 0.00 N ATOM 439 CA ILE A 30 -3.200 -0.793 -2.886 1.00 0.00 C ATOM 440 C ILE A 30 -2.310 -1.964 -3.276 1.00 0.00 C ATOM 441 O ILE A 30 -2.233 -2.330 -4.450 1.00 0.00 O ATOM 442 CB ILE A 30 -4.632 -1.045 -3.415 1.00 0.00 C ATOM 443 CG1 ILE A 30 -5.556 0.130 -3.072 1.00 0.00 C ATOM 444 CG2 ILE A 30 -5.188 -2.339 -2.832 1.00 0.00 C ATOM 445 CD1 ILE A 30 -6.973 -0.035 -3.591 1.00 0.00 C ATOM 0 H ILE A 30 -2.983 0.718 -4.316 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.255 -0.701 -1.801 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.584 -1.137 -4.500 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.587 0.252 -1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.132 1.046 -3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.196 -2.505 -3.212 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.549 -3.173 -3.122 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.217 -2.265 -1.745 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.567 0.835 -3.310 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.954 -0.126 -4.677 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.416 -0.932 -3.159 1.00 0.00 H new ATOM 457 N PHE A 31 -1.622 -2.528 -2.298 1.00 0.00 N ATOM 458 CA PHE A 31 -0.747 -3.660 -2.543 1.00 0.00 C ATOM 459 C PHE A 31 -1.400 -4.955 -2.087 1.00 0.00 C ATOM 460 O PHE A 31 -1.801 -5.083 -0.928 1.00 0.00 O ATOM 461 CB PHE A 31 0.589 -3.485 -1.813 1.00 0.00 C ATOM 462 CG PHE A 31 1.448 -2.375 -2.347 1.00 0.00 C ATOM 463 CD1 PHE A 31 2.191 -2.553 -3.504 1.00 0.00 C ATOM 464 CD2 PHE A 31 1.524 -1.160 -1.687 1.00 0.00 C ATOM 465 CE1 PHE A 31 2.991 -1.540 -3.992 1.00 0.00 C ATOM 466 CE2 PHE A 31 2.323 -0.143 -2.172 1.00 0.00 C ATOM 467 CZ PHE A 31 3.057 -0.333 -3.325 1.00 0.00 C ATOM 0 H PHE A 31 -1.653 -2.220 -1.326 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.565 -3.708 -3.617 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.391 -3.299 -0.758 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.146 -4.420 -1.872 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.143 -3.495 -4.029 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.953 -1.006 -0.784 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.565 -1.691 -4.894 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.373 0.801 -1.649 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.682 0.461 -3.705 1.00 0.00 H new ATOM 477 N ARG A 32 -1.525 -5.904 -3.003 1.00 0.00 N ATOM 478 CA ARG A 32 -1.949 -7.245 -2.643 1.00 0.00 C ATOM 479 C ARG A 32 -0.735 -8.168 -2.673 1.00 0.00 C ATOM 480 O ARG A 32 -0.299 -8.595 -3.740 1.00 0.00 O ATOM 481 CB ARG A 32 -3.027 -7.751 -3.611 1.00 0.00 C ATOM 482 CG ARG A 32 -3.525 -9.154 -3.299 1.00 0.00 C ATOM 483 CD ARG A 32 -4.537 -9.623 -4.330 1.00 0.00 C ATOM 484 NE ARG A 32 -5.015 -10.982 -4.063 1.00 0.00 N ATOM 485 CZ ARG A 32 -5.958 -11.593 -4.785 1.00 0.00 C ATOM 486 NH1 ARG A 32 -6.532 -10.974 -5.802 1.00 0.00 N ATOM 487 NH2 ARG A 32 -6.333 -12.828 -4.495 1.00 0.00 N ATOM 0 H ARG A 32 -1.339 -5.769 -3.997 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.379 -7.233 -1.641 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.872 -7.063 -3.590 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.628 -7.735 -4.625 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.682 -9.844 -3.274 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.979 -9.169 -2.308 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.385 -8.938 -4.341 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.085 -9.588 -5.321 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.604 -11.491 -3.280 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.256 -10.022 -6.041 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.251 -11.449 -6.348 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.901 -13.322 -3.714 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.054 -13.286 -5.052 1.00 0.00 H new ATOM 501 N PRO A 33 -0.162 -8.465 -1.498 1.00 0.00 N ATOM 502 CA PRO A 33 1.039 -9.288 -1.394 1.00 0.00 C ATOM 503 C PRO A 33 0.741 -10.785 -1.382 1.00 0.00 C ATOM 504 O PRO A 33 1.472 -11.576 -1.976 1.00 0.00 O ATOM 505 CB PRO A 33 1.636 -8.844 -0.062 1.00 0.00 C ATOM 506 CG PRO A 33 0.466 -8.428 0.770 1.00 0.00 C ATOM 507 CD PRO A 33 -0.619 -7.983 -0.181 1.00 0.00 C ATOM 0 HA PRO A 33 1.701 -9.155 -2.249 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.188 -9.655 0.412 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.335 -8.019 -0.199 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.120 -9.256 1.389 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.742 -7.618 1.445 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.585 -8.411 0.087 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.737 -6.899 -0.172 1.00 0.00 H new ATOM 515 N TYR A 34 -0.337 -11.170 -0.713 1.00 0.00 N ATOM 516 CA TYR A 34 -0.692 -12.574 -0.590 1.00 0.00 C ATOM 517 C TYR A 34 -1.669 -12.982 -1.678 1.00 0.00 C ATOM 518 O TYR A 34 -2.269 -12.133 -2.342 1.00 0.00 O ATOM 519 CB TYR A 34 -1.286 -12.863 0.789 1.00 0.00 C ATOM 520 CG TYR A 34 -0.270 -12.800 1.905 1.00 0.00 C ATOM 521 CD1 TYR A 34 0.692 -13.791 2.041 1.00 0.00 C ATOM 522 CD2 TYR A 34 -0.268 -11.754 2.817 1.00 0.00 C ATOM 523 CE1 TYR A 34 1.626 -13.743 3.055 1.00 0.00 C ATOM 524 CE2 TYR A 34 0.663 -11.698 3.835 1.00 0.00 C ATOM 525 CZ TYR A 34 1.608 -12.696 3.950 1.00 0.00 C ATOM 526 OH TYR A 34 2.536 -12.647 4.964 1.00 0.00 O ATOM 0 H TYR A 34 -0.980 -10.529 -0.248 1.00 0.00 H new ATOM 0 HA TYR A 34 0.219 -13.162 -0.706 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.082 -12.146 0.991 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.743 -13.852 0.779 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.710 -14.613 1.341 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.007 -10.971 2.729 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.368 -14.523 3.147 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.651 -10.877 4.537 1.00 0.00 H new ATOM 0 HH TYR A 34 3.432 -12.791 4.595 1.00 0.00 H new ATOM 536 N HIS A 35 -1.833 -14.285 -1.849 1.00 0.00 N ATOM 537 CA HIS A 35 -2.722 -14.812 -2.867 1.00 0.00 C ATOM 538 C HIS A 35 -4.165 -14.753 -2.380 1.00 0.00 C ATOM 539 O HIS A 35 -5.101 -14.763 -3.175 1.00 0.00 O ATOM 540 CB HIS A 35 -2.340 -16.253 -3.217 1.00 0.00 C ATOM 541 CG HIS A 35 -2.869 -16.709 -4.539 1.00 0.00 C ATOM 542 ND1 HIS A 35 -4.149 -17.184 -4.720 1.00 0.00 N ATOM 543 CD2 HIS A 35 -2.285 -16.737 -5.759 1.00 0.00 C ATOM 544 CE1 HIS A 35 -4.328 -17.479 -5.994 1.00 0.00 C ATOM 545 NE2 HIS A 35 -3.212 -17.217 -6.645 1.00 0.00 N ATOM 0 H HIS A 35 -1.359 -14.997 -1.293 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.626 -14.201 -3.765 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.254 -16.341 -3.220 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.712 -16.918 -2.437 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.274 -16.436 -5.991 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.236 -17.869 -6.430 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -3.063 -17.350 -7.645 1.00 0.00 H new ATOM 554 N SER A 36 -4.332 -14.679 -1.070 1.00 0.00 N ATOM 555 CA SER A 36 -5.651 -14.607 -0.462 1.00 0.00 C ATOM 556 C SER A 36 -6.157 -13.163 -0.430 1.00 0.00 C ATOM 557 O SER A 36 -5.545 -12.267 -1.023 1.00 0.00 O ATOM 558 CB SER A 36 -5.585 -15.178 0.955 1.00 0.00 C ATOM 559 OG SER A 36 -4.952 -16.447 0.955 1.00 0.00 O ATOM 0 H SER A 36 -3.562 -14.667 -0.401 1.00 0.00 H new ATOM 0 HA SER A 36 -6.349 -15.194 -1.059 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.038 -14.493 1.603 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.592 -15.268 1.363 1.00 0.00 H new ATOM 0 HG SER A 36 -4.918 -16.795 1.870 1.00 0.00 H new ATOM 565 N ASP A 37 -7.273 -12.940 0.256 1.00 0.00 N ATOM 566 CA ASP A 37 -7.852 -11.605 0.376 1.00 0.00 C ATOM 567 C ASP A 37 -7.114 -10.774 1.425 1.00 0.00 C ATOM 568 O ASP A 37 -7.639 -10.461 2.491 1.00 0.00 O ATOM 569 CB ASP A 37 -9.354 -11.685 0.695 1.00 0.00 C ATOM 570 CG ASP A 37 -9.674 -12.567 1.886 1.00 0.00 C ATOM 571 OD1 ASP A 37 -9.790 -13.797 1.705 1.00 0.00 O ATOM 572 OD2 ASP A 37 -9.831 -12.040 3.006 1.00 0.00 O ATOM 0 H ASP A 37 -7.797 -13.669 0.740 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.737 -11.104 -0.585 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.731 -10.680 0.886 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.883 -12.063 -0.180 1.00 0.00 H new ATOM 577 N GLN A 38 -5.876 -10.432 1.112 1.00 0.00 N ATOM 578 CA GLN A 38 -5.054 -9.621 1.993 1.00 0.00 C ATOM 579 C GLN A 38 -4.510 -8.423 1.233 1.00 0.00 C ATOM 580 O GLN A 38 -3.642 -8.571 0.371 1.00 0.00 O ATOM 581 CB GLN A 38 -3.897 -10.446 2.562 1.00 0.00 C ATOM 582 CG GLN A 38 -4.331 -11.543 3.520 1.00 0.00 C ATOM 583 CD GLN A 38 -4.860 -11.000 4.834 1.00 0.00 C ATOM 584 OE1 GLN A 38 -4.102 -10.797 5.781 1.00 0.00 O ATOM 585 NE2 GLN A 38 -6.159 -10.757 4.902 1.00 0.00 N ATOM 0 H GLN A 38 -5.414 -10.707 0.245 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.671 -9.273 2.821 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.345 -10.896 1.737 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.208 -9.778 3.079 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.103 -12.149 3.046 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.485 -12.202 3.718 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.755 -10.939 4.094 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.564 -10.388 5.762 1.00 0.00 H new ATOM 594 N VAL A 39 -5.036 -7.247 1.535 1.00 0.00 N ATOM 595 CA VAL A 39 -4.599 -6.025 0.884 1.00 0.00 C ATOM 596 C VAL A 39 -4.097 -5.017 1.907 1.00 0.00 C ATOM 597 O VAL A 39 -4.667 -4.877 2.989 1.00 0.00 O ATOM 598 CB VAL A 39 -5.725 -5.382 0.041 1.00 0.00 C ATOM 599 CG1 VAL A 39 -6.049 -6.248 -1.164 1.00 0.00 C ATOM 600 CG2 VAL A 39 -6.975 -5.144 0.881 1.00 0.00 C ATOM 0 H VAL A 39 -5.770 -7.114 2.231 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.785 -6.301 0.214 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.369 -4.414 -0.312 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.843 -5.780 -1.745 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.160 -6.355 -1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.377 -7.232 -0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.749 -4.691 0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.335 -6.094 1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.736 -4.476 1.708 1.00 0.00 H new ATOM 610 N PHE A 40 -3.018 -4.338 1.565 1.00 0.00 N ATOM 611 CA PHE A 40 -2.460 -3.307 2.419 1.00 0.00 C ATOM 612 C PHE A 40 -2.269 -2.035 1.610 1.00 0.00 C ATOM 613 O PHE A 40 -1.744 -2.072 0.496 1.00 0.00 O ATOM 614 CB PHE A 40 -1.131 -3.769 3.022 1.00 0.00 C ATOM 615 CG PHE A 40 -1.269 -4.956 3.934 1.00 0.00 C ATOM 616 CD1 PHE A 40 -1.589 -4.784 5.272 1.00 0.00 C ATOM 617 CD2 PHE A 40 -1.090 -6.244 3.453 1.00 0.00 C ATOM 618 CE1 PHE A 40 -1.725 -5.872 6.113 1.00 0.00 C ATOM 619 CE2 PHE A 40 -1.223 -7.335 4.290 1.00 0.00 C ATOM 620 CZ PHE A 40 -1.542 -7.150 5.620 1.00 0.00 C ATOM 0 H PHE A 40 -2.507 -4.484 0.694 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.148 -3.109 3.241 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.442 -4.018 2.215 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.686 -2.943 3.577 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.734 -3.787 5.662 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.844 -6.396 2.412 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.974 -5.724 7.153 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.077 -8.333 3.904 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.648 -8.003 6.274 1.00 0.00 H new ATOM 630 N ALA A 41 -2.710 -0.917 2.156 1.00 0.00 N ATOM 631 CA ALA A 41 -2.699 0.330 1.415 1.00 0.00 C ATOM 632 C ALA A 41 -1.879 1.400 2.120 1.00 0.00 C ATOM 633 O ALA A 41 -2.073 1.676 3.306 1.00 0.00 O ATOM 634 CB ALA A 41 -4.120 0.817 1.195 1.00 0.00 C ATOM 0 H ALA A 41 -3.078 -0.847 3.105 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.229 0.139 0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.101 1.754 0.638 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.677 0.070 0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.603 0.978 2.159 1.00 0.00 H new ATOM 640 N ILE A 42 -0.959 1.992 1.380 1.00 0.00 N ATOM 641 CA ILE A 42 -0.167 3.104 1.880 1.00 0.00 C ATOM 642 C ILE A 42 -0.234 4.262 0.897 1.00 0.00 C ATOM 643 O ILE A 42 -0.861 4.146 -0.158 1.00 0.00 O ATOM 644 CB ILE A 42 1.311 2.713 2.108 1.00 0.00 C ATOM 645 CG1 ILE A 42 1.935 2.176 0.813 1.00 0.00 C ATOM 646 CG2 ILE A 42 1.423 1.691 3.232 1.00 0.00 C ATOM 647 CD1 ILE A 42 3.402 1.826 0.944 1.00 0.00 C ATOM 0 H ILE A 42 -0.740 1.719 0.422 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.587 3.397 2.843 1.00 0.00 H new ATOM 0 HB ILE A 42 1.864 3.605 2.402 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.386 1.289 0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.817 2.922 0.027 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.470 1.426 3.380 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.023 2.117 4.152 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.856 0.798 2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.774 1.453 -0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.964 2.715 1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.526 1.057 1.707 1.00 0.00 H new ATOM 659 N SER A 43 0.388 5.376 1.245 1.00 0.00 N ATOM 660 CA SER A 43 0.458 6.515 0.344 1.00 0.00 C ATOM 661 C SER A 43 1.260 6.137 -0.898 1.00 0.00 C ATOM 662 O SER A 43 2.383 5.646 -0.792 1.00 0.00 O ATOM 663 CB SER A 43 1.093 7.719 1.046 1.00 0.00 C ATOM 664 OG SER A 43 0.998 8.892 0.250 1.00 0.00 O ATOM 0 H SER A 43 0.851 5.516 2.143 1.00 0.00 H new ATOM 0 HA SER A 43 -0.553 6.793 0.045 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.599 7.886 2.003 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.140 7.507 1.260 1.00 0.00 H new ATOM 0 HG SER A 43 1.830 9.015 -0.252 1.00 0.00 H new ATOM 670 N ASN A 44 0.668 6.351 -2.065 1.00 0.00 N ATOM 671 CA ASN A 44 1.307 5.990 -3.326 1.00 0.00 C ATOM 672 C ASN A 44 2.442 6.956 -3.642 1.00 0.00 C ATOM 673 O ASN A 44 3.397 6.603 -4.331 1.00 0.00 O ATOM 674 CB ASN A 44 0.281 5.990 -4.462 1.00 0.00 C ATOM 675 CG ASN A 44 0.837 5.446 -5.765 1.00 0.00 C ATOM 676 OD1 ASN A 44 1.725 4.594 -5.777 1.00 0.00 O ATOM 677 ND2 ASN A 44 0.308 5.930 -6.878 1.00 0.00 N ATOM 0 H ASN A 44 -0.255 6.773 -2.166 1.00 0.00 H new ATOM 0 HA ASN A 44 1.721 4.986 -3.229 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.582 5.394 -4.165 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.075 7.008 -4.622 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.635 5.597 -7.785 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.427 6.636 -6.829 1.00 0.00 H new ATOM 684 N ILE A 45 2.326 8.173 -3.133 1.00 0.00 N ATOM 685 CA ILE A 45 3.371 9.171 -3.288 1.00 0.00 C ATOM 686 C ILE A 45 4.045 9.406 -1.941 1.00 0.00 C ATOM 687 O ILE A 45 3.369 9.613 -0.930 1.00 0.00 O ATOM 688 CB ILE A 45 2.814 10.519 -3.808 1.00 0.00 C ATOM 689 CG1 ILE A 45 2.016 10.320 -5.104 1.00 0.00 C ATOM 690 CG2 ILE A 45 3.946 11.525 -4.023 1.00 0.00 C ATOM 691 CD1 ILE A 45 2.828 9.758 -6.251 1.00 0.00 C ATOM 0 H ILE A 45 1.513 8.494 -2.606 1.00 0.00 H new ATOM 0 HA ILE A 45 4.084 8.793 -4.021 1.00 0.00 H new ATOM 0 HB ILE A 45 2.138 10.918 -3.052 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.179 9.651 -4.903 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.593 11.277 -5.408 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.533 12.465 -4.388 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.463 11.698 -3.079 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.650 11.129 -4.755 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.191 9.648 -7.128 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.649 10.436 -6.482 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.230 8.784 -5.970 1.00 0.00 H new ATOM 703 N ASP A 46 5.363 9.349 -1.923 1.00 0.00 N ATOM 704 CA ASP A 46 6.119 9.628 -0.710 1.00 0.00 C ATOM 705 C ASP A 46 6.448 11.114 -0.624 1.00 0.00 C ATOM 706 O ASP A 46 7.118 11.659 -1.500 1.00 0.00 O ATOM 707 CB ASP A 46 7.397 8.789 -0.668 1.00 0.00 C ATOM 708 CG ASP A 46 8.515 9.460 0.108 1.00 0.00 C ATOM 709 OD1 ASP A 46 8.315 9.801 1.293 1.00 0.00 O ATOM 710 OD2 ASP A 46 9.586 9.681 -0.489 1.00 0.00 O ATOM 0 H ASP A 46 5.936 9.112 -2.733 1.00 0.00 H new ATOM 0 HA ASP A 46 5.507 9.358 0.151 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.177 7.822 -0.216 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.733 8.596 -1.687 1.00 0.00 H new ATOM 715 N PRO A 47 5.953 11.794 0.420 1.00 0.00 N ATOM 716 CA PRO A 47 6.164 13.220 0.608 1.00 0.00 C ATOM 717 C PRO A 47 7.357 13.553 1.506 1.00 0.00 C ATOM 718 O PRO A 47 7.655 14.727 1.733 1.00 0.00 O ATOM 719 CB PRO A 47 4.859 13.643 1.274 1.00 0.00 C ATOM 720 CG PRO A 47 4.436 12.456 2.087 1.00 0.00 C ATOM 721 CD PRO A 47 5.106 11.236 1.486 1.00 0.00 C ATOM 0 HA PRO A 47 6.395 13.728 -0.328 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.004 14.521 1.903 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.104 13.903 0.532 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.728 12.580 3.130 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.352 12.346 2.071 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.697 10.698 2.227 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.375 10.532 1.089 1.00 0.00 H new ATOM 729 N PHE A 48 8.038 12.534 2.016 1.00 0.00 N ATOM 730 CA PHE A 48 9.167 12.758 2.910 1.00 0.00 C ATOM 731 C PHE A 48 10.455 12.829 2.104 1.00 0.00 C ATOM 732 O PHE A 48 11.172 13.833 2.134 1.00 0.00 O ATOM 733 CB PHE A 48 9.255 11.647 3.963 1.00 0.00 C ATOM 734 CG PHE A 48 10.186 11.969 5.099 1.00 0.00 C ATOM 735 CD1 PHE A 48 11.540 11.683 5.015 1.00 0.00 C ATOM 736 CD2 PHE A 48 9.703 12.563 6.254 1.00 0.00 C ATOM 737 CE1 PHE A 48 12.393 11.983 6.061 1.00 0.00 C ATOM 738 CE2 PHE A 48 10.550 12.864 7.302 1.00 0.00 C ATOM 739 CZ PHE A 48 11.897 12.573 7.205 1.00 0.00 C ATOM 0 H PHE A 48 7.831 11.553 1.828 1.00 0.00 H new ATOM 0 HA PHE A 48 9.020 13.705 3.430 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.259 11.457 4.363 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.586 10.727 3.482 1.00 0.00 H new ATOM 0 HD1 PHE A 48 11.933 11.220 4.122 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.651 12.793 6.335 1.00 0.00 H new ATOM 0 HE1 PHE A 48 13.446 11.756 5.982 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.160 13.326 8.197 1.00 0.00 H new ATOM 0 HZ PHE A 48 12.561 12.807 8.024 1.00 0.00 H new ATOM 749 N PHE A 49 10.728 11.769 1.361 1.00 0.00 N ATOM 750 CA PHE A 49 11.913 11.708 0.520 1.00 0.00 C ATOM 751 C PHE A 49 11.558 12.216 -0.874 1.00 0.00 C ATOM 752 O PHE A 49 12.421 12.384 -1.738 1.00 0.00 O ATOM 753 CB PHE A 49 12.440 10.267 0.468 1.00 0.00 C ATOM 754 CG PHE A 49 13.739 10.105 -0.272 1.00 0.00 C ATOM 755 CD1 PHE A 49 14.919 10.606 0.253 1.00 0.00 C ATOM 756 CD2 PHE A 49 13.779 9.443 -1.487 1.00 0.00 C ATOM 757 CE1 PHE A 49 16.113 10.451 -0.423 1.00 0.00 C ATOM 758 CE2 PHE A 49 14.971 9.286 -2.169 1.00 0.00 C ATOM 759 CZ PHE A 49 16.140 9.791 -1.636 1.00 0.00 C ATOM 0 H PHE A 49 10.142 10.935 1.323 1.00 0.00 H new ATOM 0 HA PHE A 49 12.700 12.338 0.933 1.00 0.00 H new ATOM 0 HB2 PHE A 49 12.569 9.904 1.488 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.687 9.635 -0.002 1.00 0.00 H new ATOM 0 HD1 PHE A 49 14.905 11.123 1.201 1.00 0.00 H new ATOM 0 HD2 PHE A 49 12.868 9.044 -1.907 1.00 0.00 H new ATOM 0 HE1 PHE A 49 17.026 10.846 -0.003 1.00 0.00 H new ATOM 0 HE2 PHE A 49 14.988 8.769 -3.117 1.00 0.00 H new ATOM 0 HZ PHE A 49 17.073 9.670 -2.166 1.00 0.00 H new ATOM 769 N GLU A 50 10.264 12.480 -1.052 1.00 0.00 N ATOM 770 CA GLU A 50 9.700 12.959 -2.311 1.00 0.00 C ATOM 771 C GLU A 50 9.911 11.939 -3.419 1.00 0.00 C ATOM 772 O GLU A 50 10.774 12.098 -4.289 1.00 0.00 O ATOM 773 CB GLU A 50 10.278 14.315 -2.711 1.00 0.00 C ATOM 774 CG GLU A 50 10.158 15.369 -1.625 1.00 0.00 C ATOM 775 CD GLU A 50 10.892 16.645 -1.969 1.00 0.00 C ATOM 776 OE1 GLU A 50 12.137 16.656 -1.878 1.00 0.00 O ATOM 777 OE2 GLU A 50 10.231 17.640 -2.333 1.00 0.00 O ATOM 0 H GLU A 50 9.569 12.365 -0.314 1.00 0.00 H new ATOM 0 HA GLU A 50 8.629 13.091 -2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.329 14.191 -2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.768 14.668 -3.607 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.105 15.594 -1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.551 14.969 -0.690 1.00 0.00 H new ATOM 784 N SER A 51 9.127 10.884 -3.362 1.00 0.00 N ATOM 785 CA SER A 51 9.197 9.820 -4.339 1.00 0.00 C ATOM 786 C SER A 51 7.876 9.727 -5.093 1.00 0.00 C ATOM 787 O SER A 51 6.830 10.121 -4.569 1.00 0.00 O ATOM 788 CB SER A 51 9.510 8.501 -3.630 1.00 0.00 C ATOM 789 OG SER A 51 10.605 8.660 -2.740 1.00 0.00 O ATOM 0 H SER A 51 8.424 10.740 -2.637 1.00 0.00 H new ATOM 0 HA SER A 51 9.990 10.029 -5.057 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.633 8.161 -3.079 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.742 7.732 -4.367 1.00 0.00 H new ATOM 0 HG SER A 51 10.342 9.245 -1.999 1.00 0.00 H new ATOM 795 N SER A 52 7.927 9.237 -6.323 1.00 0.00 N ATOM 796 CA SER A 52 6.734 9.083 -7.137 1.00 0.00 C ATOM 797 C SER A 52 5.952 7.828 -6.731 1.00 0.00 C ATOM 798 O SER A 52 5.925 7.463 -5.557 1.00 0.00 O ATOM 799 CB SER A 52 7.126 9.045 -8.616 1.00 0.00 C ATOM 800 OG SER A 52 8.328 8.319 -8.808 1.00 0.00 O ATOM 0 H SER A 52 8.789 8.938 -6.780 1.00 0.00 H new ATOM 0 HA SER A 52 6.077 9.937 -6.974 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.325 8.587 -9.196 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.248 10.062 -8.989 1.00 0.00 H new ATOM 0 HG SER A 52 8.555 8.308 -9.761 1.00 0.00 H new ATOM 806 N VAL A 53 5.327 7.173 -7.700 1.00 0.00 N ATOM 807 CA VAL A 53 4.456 6.041 -7.419 1.00 0.00 C ATOM 808 C VAL A 53 5.241 4.836 -6.903 1.00 0.00 C ATOM 809 O VAL A 53 6.217 4.392 -7.517 1.00 0.00 O ATOM 810 CB VAL A 53 3.634 5.638 -8.665 1.00 0.00 C ATOM 811 CG1 VAL A 53 2.678 6.755 -9.053 1.00 0.00 C ATOM 812 CG2 VAL A 53 4.543 5.292 -9.839 1.00 0.00 C ATOM 0 H VAL A 53 5.408 7.407 -8.689 1.00 0.00 H new ATOM 0 HA VAL A 53 3.769 6.363 -6.636 1.00 0.00 H new ATOM 0 HB VAL A 53 3.056 4.749 -8.411 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.107 6.456 -9.932 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.995 6.953 -8.227 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.246 7.658 -9.279 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.935 5.013 -10.700 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.155 6.157 -10.092 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.189 4.458 -9.565 1.00 0.00 H new ATOM 822 N LEU A 54 4.812 4.317 -5.762 1.00 0.00 N ATOM 823 CA LEU A 54 5.472 3.179 -5.137 1.00 0.00 C ATOM 824 C LEU A 54 4.926 1.868 -5.692 1.00 0.00 C ATOM 825 O LEU A 54 5.444 0.790 -5.397 1.00 0.00 O ATOM 826 CB LEU A 54 5.284 3.229 -3.617 1.00 0.00 C ATOM 827 CG LEU A 54 5.800 4.500 -2.937 1.00 0.00 C ATOM 828 CD1 LEU A 54 5.563 4.432 -1.436 1.00 0.00 C ATOM 829 CD2 LEU A 54 7.278 4.708 -3.233 1.00 0.00 C ATOM 0 H LEU A 54 4.005 4.668 -5.247 1.00 0.00 H new ATOM 0 HA LEU A 54 6.537 3.231 -5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.222 3.123 -3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.789 2.370 -3.176 1.00 0.00 H new ATOM 0 HG LEU A 54 5.249 5.350 -3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.935 5.343 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.495 4.334 -1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.088 3.571 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.623 5.617 -2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.847 3.855 -2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.424 4.801 -4.309 1.00 0.00 H new ATOM 841 N SER A 55 3.883 1.976 -6.508 1.00 0.00 N ATOM 842 CA SER A 55 3.250 0.817 -7.127 1.00 0.00 C ATOM 843 C SER A 55 4.207 0.102 -8.086 1.00 0.00 C ATOM 844 O SER A 55 4.047 -1.086 -8.371 1.00 0.00 O ATOM 845 CB SER A 55 1.993 1.272 -7.867 1.00 0.00 C ATOM 846 OG SER A 55 2.246 2.453 -8.609 1.00 0.00 O ATOM 0 H SER A 55 3.454 2.867 -6.758 1.00 0.00 H new ATOM 0 HA SER A 55 2.981 0.105 -6.347 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.654 0.482 -8.537 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.190 1.451 -7.153 1.00 0.00 H new ATOM 0 HG SER A 55 1.499 3.077 -8.495 1.00 0.00 H new ATOM 852 N ARG A 56 5.214 0.826 -8.562 1.00 0.00 N ATOM 853 CA ARG A 56 6.197 0.271 -9.488 1.00 0.00 C ATOM 854 C ARG A 56 7.331 -0.426 -8.729 1.00 0.00 C ATOM 855 O ARG A 56 8.496 -0.327 -9.109 1.00 0.00 O ATOM 856 CB ARG A 56 6.765 1.369 -10.398 1.00 0.00 C ATOM 857 CG ARG A 56 7.532 2.457 -9.660 1.00 0.00 C ATOM 858 CD ARG A 56 8.326 3.328 -10.622 1.00 0.00 C ATOM 859 NE ARG A 56 9.210 2.528 -11.472 1.00 0.00 N ATOM 860 CZ ARG A 56 10.538 2.488 -11.357 1.00 0.00 C ATOM 861 NH1 ARG A 56 11.160 3.243 -10.458 1.00 0.00 N ATOM 862 NH2 ARG A 56 11.243 1.700 -12.158 1.00 0.00 N ATOM 0 H ARG A 56 5.372 1.804 -8.321 1.00 0.00 H new ATOM 0 HA ARG A 56 5.692 -0.469 -10.108 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.425 0.910 -11.134 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.945 1.829 -10.949 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.835 3.077 -9.097 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.208 2.001 -8.937 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.640 3.900 -11.247 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.918 4.048 -10.057 1.00 0.00 H new ATOM 0 HE ARG A 56 8.780 1.962 -12.203 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.621 3.859 -9.849 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.176 3.206 -10.377 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.769 1.129 -12.858 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.259 1.666 -12.074 1.00 0.00 H new ATOM 876 N GLY A 57 6.985 -1.157 -7.677 1.00 0.00 N ATOM 877 CA GLY A 57 7.999 -1.744 -6.825 1.00 0.00 C ATOM 878 C GLY A 57 7.712 -3.192 -6.485 1.00 0.00 C ATOM 879 O GLY A 57 6.599 -3.681 -6.698 1.00 0.00 O ATOM 0 H GLY A 57 6.023 -1.353 -7.400 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.967 -1.677 -7.321 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.072 -1.166 -5.903 1.00 0.00 H new ATOM 883 N LEU A 58 8.729 -3.882 -5.983 1.00 0.00 N ATOM 884 CA LEU A 58 8.639 -5.314 -5.730 1.00 0.00 C ATOM 885 C LEU A 58 8.282 -5.595 -4.275 1.00 0.00 C ATOM 886 O LEU A 58 8.702 -4.876 -3.370 1.00 0.00 O ATOM 887 CB LEU A 58 9.964 -5.995 -6.109 1.00 0.00 C ATOM 888 CG LEU A 58 11.198 -5.546 -5.316 1.00 0.00 C ATOM 889 CD1 LEU A 58 11.462 -6.482 -4.145 1.00 0.00 C ATOM 890 CD2 LEU A 58 12.417 -5.466 -6.221 1.00 0.00 C ATOM 0 H LEU A 58 9.630 -3.470 -5.742 1.00 0.00 H new ATOM 0 HA LEU A 58 7.841 -5.725 -6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.846 -7.071 -5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.152 -5.817 -7.168 1.00 0.00 H new ATOM 0 HG LEU A 58 10.999 -4.551 -4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 58 12.342 -6.142 -3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.599 -6.483 -3.479 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.634 -7.492 -4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 58 13.282 -5.146 -5.639 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.614 -6.447 -6.654 1.00 0.00 H new ATOM 0 HD23 LEU A 58 12.231 -4.748 -7.020 1.00 0.00 H new ATOM 902 N ILE A 59 7.509 -6.648 -4.060 1.00 0.00 N ATOM 903 CA ILE A 59 7.068 -7.017 -2.725 1.00 0.00 C ATOM 904 C ILE A 59 7.764 -8.297 -2.276 1.00 0.00 C ATOM 905 O ILE A 59 7.815 -9.280 -3.019 1.00 0.00 O ATOM 906 CB ILE A 59 5.537 -7.224 -2.671 1.00 0.00 C ATOM 907 CG1 ILE A 59 4.811 -5.981 -3.199 1.00 0.00 C ATOM 908 CG2 ILE A 59 5.092 -7.538 -1.247 1.00 0.00 C ATOM 909 CD1 ILE A 59 3.307 -6.147 -3.280 1.00 0.00 C ATOM 0 H ILE A 59 7.172 -7.266 -4.799 1.00 0.00 H new ATOM 0 HA ILE A 59 7.330 -6.198 -2.055 1.00 0.00 H new ATOM 0 HB ILE A 59 5.279 -8.071 -3.307 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.041 -5.134 -2.552 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.196 -5.739 -4.190 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.012 -7.681 -1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.585 -8.448 -0.904 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.361 -6.710 -0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.860 -5.229 -3.661 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.068 -6.973 -3.950 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.910 -6.359 -2.287 1.00 0.00 H new ATOM 921 N ALA A 60 8.305 -8.274 -1.067 1.00 0.00 N ATOM 922 CA ALA A 60 8.988 -9.428 -0.507 1.00 0.00 C ATOM 923 C ALA A 60 8.606 -9.614 0.956 1.00 0.00 C ATOM 924 O ALA A 60 8.107 -8.691 1.600 1.00 0.00 O ATOM 925 CB ALA A 60 10.496 -9.274 -0.649 1.00 0.00 C ATOM 0 H ALA A 60 8.283 -7.461 -0.451 1.00 0.00 H new ATOM 0 HA ALA A 60 8.679 -10.315 -1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.992 -10.147 -0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.755 -9.186 -1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.822 -8.378 -0.120 1.00 0.00 H new ATOM 931 N GLU A 61 8.840 -10.808 1.474 1.00 0.00 N ATOM 932 CA GLU A 61 8.528 -11.113 2.860 1.00 0.00 C ATOM 933 C GLU A 61 9.767 -11.655 3.558 1.00 0.00 C ATOM 934 O GLU A 61 10.488 -12.479 2.996 1.00 0.00 O ATOM 935 CB GLU A 61 7.400 -12.143 2.936 1.00 0.00 C ATOM 936 CG GLU A 61 6.917 -12.404 4.350 1.00 0.00 C ATOM 937 CD GLU A 61 6.084 -13.659 4.459 1.00 0.00 C ATOM 938 OE1 GLU A 61 4.882 -13.618 4.132 1.00 0.00 O ATOM 939 OE2 GLU A 61 6.633 -14.695 4.887 1.00 0.00 O ATOM 0 H GLU A 61 9.247 -11.585 0.953 1.00 0.00 H new ATOM 0 HA GLU A 61 8.203 -10.199 3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.561 -11.798 2.331 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.744 -13.080 2.499 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.777 -12.485 5.014 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.329 -11.552 4.692 1.00 0.00 H new ATOM 946 N HIS A 62 10.025 -11.192 4.771 1.00 0.00 N ATOM 947 CA HIS A 62 11.187 -11.663 5.514 1.00 0.00 C ATOM 948 C HIS A 62 10.783 -12.787 6.460 1.00 0.00 C ATOM 949 O HIS A 62 11.363 -13.870 6.434 1.00 0.00 O ATOM 950 CB HIS A 62 11.837 -10.519 6.297 1.00 0.00 C ATOM 951 CG HIS A 62 13.192 -10.866 6.838 1.00 0.00 C ATOM 952 ND1 HIS A 62 13.438 -11.121 8.170 1.00 0.00 N ATOM 953 CD2 HIS A 62 14.383 -10.990 6.209 1.00 0.00 C ATOM 954 CE1 HIS A 62 14.720 -11.389 8.335 1.00 0.00 C ATOM 955 NE2 HIS A 62 15.314 -11.316 7.160 1.00 0.00 N ATOM 0 H HIS A 62 9.455 -10.500 5.258 1.00 0.00 H new ATOM 0 HA HIS A 62 11.918 -12.044 4.801 1.00 0.00 H new ATOM 0 HB2 HIS A 62 11.925 -9.648 5.648 1.00 0.00 H new ATOM 0 HB3 HIS A 62 11.185 -10.237 7.123 1.00 0.00 H new ATOM 0 HD2 HIS A 62 14.566 -10.857 5.153 1.00 0.00 H new ATOM 0 HE1 HIS A 62 15.200 -11.627 9.272 1.00 0.00 H new ATOM 0 HE2 HIS A 62 16.306 -11.476 6.987 1.00 0.00 H new ATOM 964 N GLN A 63 9.785 -12.519 7.288 1.00 0.00 N ATOM 965 CA GLN A 63 9.270 -13.508 8.224 1.00 0.00 C ATOM 966 C GLN A 63 7.880 -13.088 8.683 1.00 0.00 C ATOM 967 O GLN A 63 7.703 -12.584 9.792 1.00 0.00 O ATOM 968 CB GLN A 63 10.208 -13.647 9.430 1.00 0.00 C ATOM 969 CG GLN A 63 9.889 -14.821 10.346 1.00 0.00 C ATOM 970 CD GLN A 63 10.198 -16.160 9.708 1.00 0.00 C ATOM 971 OE1 GLN A 63 11.319 -16.662 9.809 1.00 0.00 O ATOM 972 NE2 GLN A 63 9.208 -16.761 9.066 1.00 0.00 N ATOM 0 H GLN A 63 9.312 -11.617 7.331 1.00 0.00 H new ATOM 0 HA GLN A 63 9.211 -14.476 7.726 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.231 -13.752 9.068 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.169 -12.727 10.013 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.460 -14.722 11.269 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.834 -14.788 10.619 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.294 -16.313 9.004 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.360 -17.672 8.633 1.00 0.00 H new ATOM 981 N GLY A 64 6.904 -13.237 7.800 1.00 0.00 N ATOM 982 CA GLY A 64 5.550 -12.814 8.113 1.00 0.00 C ATOM 983 C GLY A 64 5.360 -11.321 7.917 1.00 0.00 C ATOM 984 O GLY A 64 4.253 -10.855 7.652 1.00 0.00 O ATOM 0 H GLY A 64 7.023 -13.643 6.872 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.846 -13.355 7.481 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.318 -13.076 9.145 1.00 0.00 H new ATOM 988 N GLU A 65 6.445 -10.574 8.057 1.00 0.00 N ATOM 989 CA GLU A 65 6.415 -9.137 7.851 1.00 0.00 C ATOM 990 C GLU A 65 6.681 -8.821 6.384 1.00 0.00 C ATOM 991 O GLU A 65 7.585 -9.397 5.767 1.00 0.00 O ATOM 992 CB GLU A 65 7.443 -8.444 8.749 1.00 0.00 C ATOM 993 CG GLU A 65 7.326 -6.929 8.751 1.00 0.00 C ATOM 994 CD GLU A 65 5.973 -6.450 9.238 1.00 0.00 C ATOM 995 OE1 GLU A 65 5.001 -6.494 8.454 1.00 0.00 O ATOM 996 OE2 GLU A 65 5.876 -6.015 10.407 1.00 0.00 O ATOM 0 H GLU A 65 7.361 -10.943 8.314 1.00 0.00 H new ATOM 0 HA GLU A 65 5.427 -8.761 8.118 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.327 -8.810 9.769 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.445 -8.722 8.422 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.106 -6.509 9.386 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.499 -6.553 7.742 1.00 0.00 H new ATOM 1003 N LEU A 66 5.892 -7.908 5.840 1.00 0.00 N ATOM 1004 CA LEU A 66 5.909 -7.619 4.414 1.00 0.00 C ATOM 1005 C LEU A 66 6.668 -6.333 4.117 1.00 0.00 C ATOM 1006 O LEU A 66 6.413 -5.292 4.729 1.00 0.00 O ATOM 1007 CB LEU A 66 4.477 -7.506 3.899 1.00 0.00 C ATOM 1008 CG LEU A 66 3.620 -8.755 4.097 1.00 0.00 C ATOM 1009 CD1 LEU A 66 2.160 -8.444 3.822 1.00 0.00 C ATOM 1010 CD2 LEU A 66 4.104 -9.881 3.195 1.00 0.00 C ATOM 0 H LEU A 66 5.225 -7.349 6.371 1.00 0.00 H new ATOM 0 HA LEU A 66 6.421 -8.436 3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.992 -6.668 4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.507 -7.269 2.836 1.00 0.00 H new ATOM 0 HG LEU A 66 3.715 -9.079 5.133 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.563 -9.344 3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.818 -7.667 4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.049 -8.097 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.482 -10.763 3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.037 -9.567 2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.140 -10.120 3.436 1.00 0.00 H new ATOM 1022 N TRP A 67 7.586 -6.410 3.167 1.00 0.00 N ATOM 1023 CA TRP A 67 8.395 -5.264 2.787 1.00 0.00 C ATOM 1024 C TRP A 67 8.321 -5.038 1.280 1.00 0.00 C ATOM 1025 O TRP A 67 8.407 -5.984 0.498 1.00 0.00 O ATOM 1026 CB TRP A 67 9.855 -5.473 3.205 1.00 0.00 C ATOM 1027 CG TRP A 67 10.049 -5.631 4.684 1.00 0.00 C ATOM 1028 CD1 TRP A 67 10.071 -6.800 5.391 1.00 0.00 C ATOM 1029 CD2 TRP A 67 10.251 -4.581 5.636 1.00 0.00 C ATOM 1030 NE1 TRP A 67 10.276 -6.539 6.724 1.00 0.00 N ATOM 1031 CE2 TRP A 67 10.389 -5.185 6.900 1.00 0.00 C ATOM 1032 CE3 TRP A 67 10.329 -3.190 5.541 1.00 0.00 C ATOM 1033 CZ2 TRP A 67 10.604 -4.445 8.060 1.00 0.00 C ATOM 1034 CZ3 TRP A 67 10.541 -2.458 6.692 1.00 0.00 C ATOM 1035 CH2 TRP A 67 10.677 -3.084 7.937 1.00 0.00 C ATOM 0 H TRP A 67 7.790 -7.260 2.642 1.00 0.00 H new ATOM 0 HA TRP A 67 8.002 -4.386 3.300 1.00 0.00 H new ATOM 0 HB2 TRP A 67 10.243 -6.358 2.701 1.00 0.00 H new ATOM 0 HB3 TRP A 67 10.446 -4.625 2.860 1.00 0.00 H new ATOM 0 HD1 TRP A 67 9.946 -7.784 4.965 1.00 0.00 H new ATOM 0 HE1 TRP A 67 10.335 -7.240 7.463 1.00 0.00 H new ATOM 0 HE3 TRP A 67 10.226 -2.697 4.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 10.709 -4.927 9.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 10.603 -1.382 6.631 1.00 0.00 H new ATOM 0 HH2 TRP A 67 10.843 -2.481 8.818 1.00 0.00 H new ATOM 1046 N VAL A 68 8.147 -3.792 0.880 1.00 0.00 N ATOM 1047 CA VAL A 68 8.142 -3.443 -0.531 1.00 0.00 C ATOM 1048 C VAL A 68 9.374 -2.606 -0.868 1.00 0.00 C ATOM 1049 O VAL A 68 9.675 -1.617 -0.194 1.00 0.00 O ATOM 1050 CB VAL A 68 6.845 -2.695 -0.942 1.00 0.00 C ATOM 1051 CG1 VAL A 68 6.642 -1.431 -0.120 1.00 0.00 C ATOM 1052 CG2 VAL A 68 6.852 -2.369 -2.430 1.00 0.00 C ATOM 0 H VAL A 68 8.007 -3.003 1.512 1.00 0.00 H new ATOM 0 HA VAL A 68 8.172 -4.371 -1.101 1.00 0.00 H new ATOM 0 HB VAL A 68 6.008 -3.362 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.724 -0.935 -0.436 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.568 -1.692 0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.488 -0.760 -0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.933 -1.845 -2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.709 -1.735 -2.660 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.920 -3.293 -3.005 1.00 0.00 H new ATOM 1062 N ALA A 69 10.102 -3.027 -1.887 1.00 0.00 N ATOM 1063 CA ALA A 69 11.303 -2.327 -2.307 1.00 0.00 C ATOM 1064 C ALA A 69 11.019 -1.493 -3.543 1.00 0.00 C ATOM 1065 O ALA A 69 10.704 -2.026 -4.611 1.00 0.00 O ATOM 1066 CB ALA A 69 12.432 -3.310 -2.570 1.00 0.00 C ATOM 0 H ALA A 69 9.881 -3.854 -2.441 1.00 0.00 H new ATOM 0 HA ALA A 69 11.615 -1.660 -1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 69 13.323 -2.766 -2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.649 -3.867 -1.659 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.135 -4.003 -3.357 1.00 0.00 H new ATOM 1072 N SER A 70 11.114 -0.186 -3.390 1.00 0.00 N ATOM 1073 CA SER A 70 10.826 0.732 -4.473 1.00 0.00 C ATOM 1074 C SER A 70 12.086 1.018 -5.288 1.00 0.00 C ATOM 1075 O SER A 70 13.054 1.592 -4.780 1.00 0.00 O ATOM 1076 CB SER A 70 10.249 2.030 -3.910 1.00 0.00 C ATOM 1077 OG SER A 70 9.147 1.769 -3.057 1.00 0.00 O ATOM 0 H SER A 70 11.391 0.266 -2.518 1.00 0.00 H new ATOM 0 HA SER A 70 10.092 0.274 -5.135 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.021 2.566 -3.358 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.934 2.677 -4.729 1.00 0.00 H new ATOM 0 HG SER A 70 9.334 2.124 -2.163 1.00 0.00 H new ATOM 1083 N PRO A 71 12.084 0.627 -6.576 1.00 0.00 N ATOM 1084 CA PRO A 71 13.210 0.838 -7.493 1.00 0.00 C ATOM 1085 C PRO A 71 13.331 2.298 -7.938 1.00 0.00 C ATOM 1086 O PRO A 71 13.893 2.596 -8.991 1.00 0.00 O ATOM 1087 CB PRO A 71 12.876 -0.058 -8.698 1.00 0.00 C ATOM 1088 CG PRO A 71 11.705 -0.882 -8.280 1.00 0.00 C ATOM 1089 CD PRO A 71 10.986 -0.074 -7.244 1.00 0.00 C ATOM 0 HA PRO A 71 14.163 0.599 -7.021 1.00 0.00 H new ATOM 0 HB2 PRO A 71 12.639 0.541 -9.577 1.00 0.00 H new ATOM 0 HB3 PRO A 71 13.724 -0.690 -8.963 1.00 0.00 H new ATOM 0 HG2 PRO A 71 11.055 -1.097 -9.128 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.027 -1.841 -7.874 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.274 0.619 -7.691 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.426 -0.704 -6.553 1.00 0.00 H new ATOM 1097 N LEU A 72 12.791 3.199 -7.129 1.00 0.00 N ATOM 1098 CA LEU A 72 12.887 4.632 -7.384 1.00 0.00 C ATOM 1099 C LEU A 72 14.221 5.143 -6.862 1.00 0.00 C ATOM 1100 O LEU A 72 14.688 6.220 -7.231 1.00 0.00 O ATOM 1101 CB LEU A 72 11.740 5.391 -6.699 1.00 0.00 C ATOM 1102 CG LEU A 72 10.333 5.179 -7.282 1.00 0.00 C ATOM 1103 CD1 LEU A 72 9.852 3.747 -7.087 1.00 0.00 C ATOM 1104 CD2 LEU A 72 9.353 6.146 -6.641 1.00 0.00 C ATOM 0 H LEU A 72 12.276 2.960 -6.281 1.00 0.00 H new ATOM 0 HA LEU A 72 12.815 4.802 -8.458 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.721 5.104 -5.648 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.967 6.457 -6.734 1.00 0.00 H new ATOM 0 HG LEU A 72 10.386 5.370 -8.354 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.854 3.637 -7.512 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.537 3.062 -7.587 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.820 3.516 -6.022 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.359 5.988 -7.060 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.324 5.975 -5.565 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.671 7.170 -6.837 1.00 0.00 H new ATOM 1116 N LYS A 73 14.821 4.343 -5.992 1.00 0.00 N ATOM 1117 CA LYS A 73 16.104 4.658 -5.392 1.00 0.00 C ATOM 1118 C LYS A 73 16.722 3.373 -4.854 1.00 0.00 C ATOM 1119 O LYS A 73 17.517 2.723 -5.526 1.00 0.00 O ATOM 1120 CB LYS A 73 15.924 5.677 -4.258 1.00 0.00 C ATOM 1121 CG LYS A 73 17.225 6.295 -3.767 1.00 0.00 C ATOM 1122 CD LYS A 73 17.814 7.243 -4.799 1.00 0.00 C ATOM 1123 CE LYS A 73 16.882 8.413 -5.072 1.00 0.00 C ATOM 1124 NZ LYS A 73 17.449 9.353 -6.070 1.00 0.00 N ATOM 0 H LYS A 73 14.428 3.454 -5.683 1.00 0.00 H new ATOM 0 HA LYS A 73 16.763 5.096 -6.142 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.263 6.473 -4.600 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.427 5.188 -3.420 1.00 0.00 H new ATOM 0 HG2 LYS A 73 17.045 6.834 -2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 73 17.943 5.506 -3.544 1.00 0.00 H new ATOM 0 HD2 LYS A 73 18.775 7.616 -4.446 1.00 0.00 H new ATOM 0 HD3 LYS A 73 18.003 6.702 -5.726 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.924 8.037 -5.431 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.687 8.946 -4.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 16.783 10.136 -6.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.351 9.732 -5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.611 8.851 -6.966 1.00 0.00 H new ATOM 1138 N LYS A 74 16.311 3.012 -3.646 1.00 0.00 N ATOM 1139 CA LYS A 74 16.712 1.765 -3.005 1.00 0.00 C ATOM 1140 C LYS A 74 15.944 1.648 -1.694 1.00 0.00 C ATOM 1141 O LYS A 74 16.326 0.917 -0.778 1.00 0.00 O ATOM 1142 CB LYS A 74 18.221 1.751 -2.737 1.00 0.00 C ATOM 1143 CG LYS A 74 18.843 0.366 -2.827 1.00 0.00 C ATOM 1144 CD LYS A 74 18.850 -0.141 -4.262 1.00 0.00 C ATOM 1145 CE LYS A 74 19.469 -1.526 -4.368 1.00 0.00 C ATOM 1146 NZ LYS A 74 18.607 -2.576 -3.761 1.00 0.00 N ATOM 0 H LYS A 74 15.684 3.581 -3.077 1.00 0.00 H new ATOM 0 HA LYS A 74 16.487 0.922 -3.658 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.715 2.409 -3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 74 18.409 2.161 -1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 74 19.863 0.397 -2.444 1.00 0.00 H new ATOM 0 HG3 LYS A 74 18.287 -0.327 -2.196 1.00 0.00 H new ATOM 0 HD2 LYS A 74 17.829 -0.169 -4.643 1.00 0.00 H new ATOM 0 HD3 LYS A 74 19.406 0.555 -4.891 1.00 0.00 H new ATOM 0 HE2 LYS A 74 19.644 -1.764 -5.417 1.00 0.00 H new ATOM 0 HE3 LYS A 74 20.441 -1.526 -3.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 19.036 -3.510 -3.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 18.516 -2.402 -2.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 17.666 -2.550 -4.202 1.00 0.00 H new ATOM 1160 N GLN A 75 14.832 2.370 -1.646 1.00 0.00 N ATOM 1161 CA GLN A 75 14.063 2.557 -0.425 1.00 0.00 C ATOM 1162 C GLN A 75 13.084 1.408 -0.215 1.00 0.00 C ATOM 1163 O GLN A 75 12.507 0.890 -1.173 1.00 0.00 O ATOM 1164 CB GLN A 75 13.314 3.891 -0.507 1.00 0.00 C ATOM 1165 CG GLN A 75 12.478 4.024 -1.770 1.00 0.00 C ATOM 1166 CD GLN A 75 12.044 5.447 -2.064 1.00 0.00 C ATOM 1167 OE1 GLN A 75 11.904 5.822 -3.227 1.00 0.00 O ATOM 1168 NE2 GLN A 75 11.824 6.243 -1.028 1.00 0.00 N ATOM 0 H GLN A 75 14.437 2.844 -2.458 1.00 0.00 H new ATOM 0 HA GLN A 75 14.743 2.570 0.427 1.00 0.00 H new ATOM 0 HB2 GLN A 75 12.666 3.992 0.364 1.00 0.00 H new ATOM 0 HB3 GLN A 75 14.033 4.709 -0.466 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.051 3.646 -2.616 1.00 0.00 H new ATOM 0 HG3 GLN A 75 11.593 3.395 -1.678 1.00 0.00 H new ATOM 0 HE21 GLN A 75 11.952 5.892 -0.079 1.00 0.00 H new ATOM 0 HE22 GLN A 75 11.527 7.207 -1.180 1.00 0.00 H new ATOM 1177 N ARG A 76 12.912 1.010 1.035 1.00 0.00 N ATOM 1178 CA ARG A 76 12.005 -0.074 1.367 1.00 0.00 C ATOM 1179 C ARG A 76 10.976 0.374 2.398 1.00 0.00 C ATOM 1180 O ARG A 76 11.302 1.039 3.386 1.00 0.00 O ATOM 1181 CB ARG A 76 12.786 -1.285 1.879 1.00 0.00 C ATOM 1182 CG ARG A 76 13.690 -1.900 0.825 1.00 0.00 C ATOM 1183 CD ARG A 76 14.645 -2.913 1.429 1.00 0.00 C ATOM 1184 NE ARG A 76 15.533 -2.294 2.411 1.00 0.00 N ATOM 1185 CZ ARG A 76 16.732 -2.769 2.742 1.00 0.00 C ATOM 1186 NH1 ARG A 76 17.206 -3.860 2.149 1.00 0.00 N ATOM 1187 NH2 ARG A 76 17.459 -2.146 3.666 1.00 0.00 N ATOM 0 H ARG A 76 13.390 1.422 1.836 1.00 0.00 H new ATOM 0 HA ARG A 76 11.472 -0.362 0.461 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.389 -0.985 2.736 1.00 0.00 H new ATOM 0 HB3 ARG A 76 12.084 -2.040 2.232 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.082 -2.384 0.061 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.259 -1.114 0.329 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.076 -3.712 1.904 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.239 -3.371 0.638 1.00 0.00 H new ATOM 0 HE ARG A 76 15.213 -1.443 2.873 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.651 -4.336 1.438 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.125 -4.221 2.405 1.00 0.00 H new ATOM 0 HH21 ARG A 76 17.097 -1.307 4.119 1.00 0.00 H new ATOM 0 HH22 ARG A 76 18.378 -2.508 3.921 1.00 0.00 H new ATOM 1201 N PHE A 77 9.732 0.008 2.133 1.00 0.00 N ATOM 1202 CA PHE A 77 8.619 0.370 2.989 1.00 0.00 C ATOM 1203 C PHE A 77 7.950 -0.882 3.538 1.00 0.00 C ATOM 1204 O PHE A 77 7.872 -1.907 2.861 1.00 0.00 O ATOM 1205 CB PHE A 77 7.584 1.190 2.209 1.00 0.00 C ATOM 1206 CG PHE A 77 8.115 2.466 1.619 1.00 0.00 C ATOM 1207 CD1 PHE A 77 8.762 2.462 0.395 1.00 0.00 C ATOM 1208 CD2 PHE A 77 7.958 3.670 2.285 1.00 0.00 C ATOM 1209 CE1 PHE A 77 9.244 3.633 -0.152 1.00 0.00 C ATOM 1210 CE2 PHE A 77 8.438 4.846 1.741 1.00 0.00 C ATOM 1211 CZ PHE A 77 9.082 4.828 0.522 1.00 0.00 C ATOM 0 H PHE A 77 9.468 -0.547 1.319 1.00 0.00 H new ATOM 0 HA PHE A 77 9.006 0.970 3.813 1.00 0.00 H new ATOM 0 HB2 PHE A 77 7.181 0.573 1.406 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.754 1.430 2.873 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.891 1.531 -0.138 1.00 0.00 H new ATOM 0 HD2 PHE A 77 7.455 3.690 3.240 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.748 3.616 -1.107 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.309 5.779 2.270 1.00 0.00 H new ATOM 0 HZ PHE A 77 9.459 5.746 0.095 1.00 0.00 H new ATOM 1221 N ARG A 78 7.475 -0.793 4.762 1.00 0.00 N ATOM 1222 CA ARG A 78 6.705 -1.864 5.364 1.00 0.00 C ATOM 1223 C ARG A 78 5.226 -1.587 5.130 1.00 0.00 C ATOM 1224 O ARG A 78 4.577 -0.910 5.931 1.00 0.00 O ATOM 1225 CB ARG A 78 7.004 -1.962 6.862 1.00 0.00 C ATOM 1226 CG ARG A 78 6.406 -3.190 7.521 1.00 0.00 C ATOM 1227 CD ARG A 78 6.701 -3.229 9.010 1.00 0.00 C ATOM 1228 NE ARG A 78 6.036 -2.150 9.738 1.00 0.00 N ATOM 1229 CZ ARG A 78 5.540 -2.288 10.969 1.00 0.00 C ATOM 1230 NH1 ARG A 78 5.537 -3.478 11.559 1.00 0.00 N ATOM 1231 NH2 ARG A 78 5.009 -1.242 11.599 1.00 0.00 N ATOM 0 H ARG A 78 7.610 0.018 5.366 1.00 0.00 H new ATOM 0 HA ARG A 78 6.977 -2.816 4.908 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.084 -1.971 7.009 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.622 -1.071 7.359 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.327 -3.199 7.363 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.804 -4.087 7.048 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.381 -4.189 9.416 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.777 -3.160 9.166 1.00 0.00 H new ATOM 0 HE ARG A 78 5.946 -1.243 9.280 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.915 -4.290 11.071 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.157 -3.580 12.500 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.980 -0.331 11.141 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.631 -1.352 12.540 1.00 0.00 H new ATOM 1245 N LEU A 79 4.710 -2.094 4.017 1.00 0.00 N ATOM 1246 CA LEU A 79 3.365 -1.754 3.555 1.00 0.00 C ATOM 1247 C LEU A 79 2.271 -2.267 4.488 1.00 0.00 C ATOM 1248 O LEU A 79 1.122 -1.847 4.385 1.00 0.00 O ATOM 1249 CB LEU A 79 3.145 -2.265 2.119 1.00 0.00 C ATOM 1250 CG LEU A 79 3.579 -3.712 1.830 1.00 0.00 C ATOM 1251 CD1 LEU A 79 2.648 -4.716 2.491 1.00 0.00 C ATOM 1252 CD2 LEU A 79 3.633 -3.956 0.330 1.00 0.00 C ATOM 0 H LEU A 79 5.206 -2.748 3.411 1.00 0.00 H new ATOM 0 HA LEU A 79 3.292 -0.666 3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.085 -2.174 1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.681 -1.606 1.437 1.00 0.00 H new ATOM 0 HG LEU A 79 4.575 -3.851 2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.985 -5.728 2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.655 -4.563 3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.635 -4.578 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.942 -4.984 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.647 -3.787 -0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.350 -3.272 -0.124 1.00 0.00 H new ATOM 1264 N SER A 80 2.631 -3.155 5.403 1.00 0.00 N ATOM 1265 CA SER A 80 1.661 -3.733 6.318 1.00 0.00 C ATOM 1266 C SER A 80 1.070 -2.664 7.238 1.00 0.00 C ATOM 1267 O SER A 80 -0.151 -2.556 7.380 1.00 0.00 O ATOM 1268 CB SER A 80 2.320 -4.844 7.133 1.00 0.00 C ATOM 1269 OG SER A 80 3.585 -4.429 7.619 1.00 0.00 O ATOM 0 H SER A 80 3.586 -3.490 5.531 1.00 0.00 H new ATOM 0 HA SER A 80 0.842 -4.157 5.737 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.677 -5.119 7.969 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.437 -5.734 6.515 1.00 0.00 H new ATOM 0 HG SER A 80 4.085 -5.209 7.939 1.00 0.00 H new ATOM 1275 N ASP A 81 1.933 -1.860 7.846 1.00 0.00 N ATOM 1276 CA ASP A 81 1.477 -0.827 8.767 1.00 0.00 C ATOM 1277 C ASP A 81 1.890 0.564 8.287 1.00 0.00 C ATOM 1278 O ASP A 81 1.648 1.562 8.960 1.00 0.00 O ATOM 1279 CB ASP A 81 2.016 -1.097 10.172 1.00 0.00 C ATOM 1280 CG ASP A 81 1.289 -0.300 11.236 1.00 0.00 C ATOM 1281 OD1 ASP A 81 0.074 -0.519 11.412 1.00 0.00 O ATOM 1282 OD2 ASP A 81 1.933 0.530 11.914 1.00 0.00 O ATOM 0 H ASP A 81 2.944 -1.902 7.720 1.00 0.00 H new ATOM 0 HA ASP A 81 0.388 -0.856 8.799 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.926 -2.160 10.394 1.00 0.00 H new ATOM 0 HB3 ASP A 81 3.078 -0.854 10.203 1.00 0.00 H new ATOM 1287 N GLY A 82 2.495 0.625 7.108 1.00 0.00 N ATOM 1288 CA GLY A 82 2.850 1.906 6.518 1.00 0.00 C ATOM 1289 C GLY A 82 4.107 2.503 7.117 1.00 0.00 C ATOM 1290 O GLY A 82 4.199 3.714 7.303 1.00 0.00 O ATOM 0 H GLY A 82 2.747 -0.189 6.547 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.990 1.780 5.444 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.023 2.604 6.652 1.00 0.00 H new ATOM 1294 N LEU A 83 5.078 1.655 7.408 1.00 0.00 N ATOM 1295 CA LEU A 83 6.329 2.108 8.001 1.00 0.00 C ATOM 1296 C LEU A 83 7.395 2.260 6.928 1.00 0.00 C ATOM 1297 O LEU A 83 7.421 1.503 5.965 1.00 0.00 O ATOM 1298 CB LEU A 83 6.815 1.106 9.051 1.00 0.00 C ATOM 1299 CG LEU A 83 8.061 1.534 9.829 1.00 0.00 C ATOM 1300 CD1 LEU A 83 7.701 2.559 10.894 1.00 0.00 C ATOM 1301 CD2 LEU A 83 8.748 0.326 10.443 1.00 0.00 C ATOM 0 H LEU A 83 5.027 0.650 7.244 1.00 0.00 H new ATOM 0 HA LEU A 83 6.151 3.072 8.477 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.007 0.926 9.760 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.023 0.157 8.556 1.00 0.00 H new ATOM 0 HG LEU A 83 8.759 2.002 9.135 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.600 2.851 11.437 1.00 0.00 H new ATOM 0 HD12 LEU A 83 7.262 3.437 10.420 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.983 2.124 11.589 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.632 0.650 10.992 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.061 -0.176 11.125 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.045 -0.364 9.653 1.00 0.00 H new ATOM 1313 N CYS A 84 8.264 3.236 7.091 1.00 0.00 N ATOM 1314 CA CYS A 84 9.427 3.365 6.227 1.00 0.00 C ATOM 1315 C CYS A 84 10.656 2.881 6.984 1.00 0.00 C ATOM 1316 O CYS A 84 10.739 3.067 8.195 1.00 0.00 O ATOM 1317 CB CYS A 84 9.607 4.819 5.799 1.00 0.00 C ATOM 1318 SG CYS A 84 8.137 5.562 5.056 1.00 0.00 S ATOM 0 H CYS A 84 8.190 3.953 7.813 1.00 0.00 H new ATOM 0 HA CYS A 84 9.288 2.761 5.330 1.00 0.00 H new ATOM 0 HB2 CYS A 84 9.898 5.408 6.669 1.00 0.00 H new ATOM 0 HB3 CYS A 84 10.429 4.877 5.086 1.00 0.00 H new ATOM 0 HG CYS A 84 8.033 5.175 3.819 1.00 0.00 H new ATOM 1324 N MET A 85 11.594 2.233 6.302 1.00 0.00 N ATOM 1325 CA MET A 85 12.792 1.751 6.988 1.00 0.00 C ATOM 1326 C MET A 85 13.639 2.901 7.534 1.00 0.00 C ATOM 1327 O MET A 85 13.938 2.943 8.726 1.00 0.00 O ATOM 1328 CB MET A 85 13.646 0.860 6.088 1.00 0.00 C ATOM 1329 CG MET A 85 12.970 -0.444 5.712 1.00 0.00 C ATOM 1330 SD MET A 85 14.130 -1.676 5.095 1.00 0.00 S ATOM 1331 CE MET A 85 15.111 -1.985 6.562 1.00 0.00 C ATOM 0 H MET A 85 11.554 2.032 5.303 1.00 0.00 H new ATOM 0 HA MET A 85 12.440 1.153 7.829 1.00 0.00 H new ATOM 0 HB2 MET A 85 13.894 1.407 5.178 1.00 0.00 H new ATOM 0 HB3 MET A 85 14.586 0.640 6.594 1.00 0.00 H new ATOM 0 HG2 MET A 85 12.451 -0.844 6.583 1.00 0.00 H new ATOM 0 HG3 MET A 85 12.214 -0.250 4.952 1.00 0.00 H new ATOM 0 HE1 MET A 85 15.520 -2.995 6.520 1.00 0.00 H new ATOM 0 HE2 MET A 85 15.928 -1.265 6.612 1.00 0.00 H new ATOM 0 HE3 MET A 85 14.483 -1.884 7.447 1.00 0.00 H new ATOM 1341 N GLU A 86 14.016 3.835 6.668 1.00 0.00 N ATOM 1342 CA GLU A 86 14.880 4.941 7.071 1.00 0.00 C ATOM 1343 C GLU A 86 14.062 6.057 7.718 1.00 0.00 C ATOM 1344 O GLU A 86 14.455 6.635 8.731 1.00 0.00 O ATOM 1345 CB GLU A 86 15.640 5.485 5.860 1.00 0.00 C ATOM 1346 CG GLU A 86 16.677 6.535 6.221 1.00 0.00 C ATOM 1347 CD GLU A 86 17.310 7.179 5.007 1.00 0.00 C ATOM 1348 OE1 GLU A 86 18.124 6.517 4.327 1.00 0.00 O ATOM 1349 OE2 GLU A 86 17.018 8.363 4.743 1.00 0.00 O ATOM 0 H GLU A 86 13.739 3.850 5.686 1.00 0.00 H new ATOM 0 HA GLU A 86 15.596 4.567 7.803 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.133 4.658 5.349 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.927 5.915 5.156 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.208 7.306 6.832 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.456 6.075 6.830 1.00 0.00 H new ATOM 1356 N ASP A 87 12.911 6.323 7.127 1.00 0.00 N ATOM 1357 CA ASP A 87 12.022 7.409 7.543 1.00 0.00 C ATOM 1358 C ASP A 87 11.155 6.983 8.729 1.00 0.00 C ATOM 1359 O ASP A 87 10.220 7.687 9.105 1.00 0.00 O ATOM 1360 CB ASP A 87 11.146 7.823 6.362 1.00 0.00 C ATOM 1361 CG ASP A 87 11.899 7.727 5.051 1.00 0.00 C ATOM 1362 OD1 ASP A 87 11.904 6.624 4.457 1.00 0.00 O ATOM 1363 OD2 ASP A 87 12.512 8.729 4.635 1.00 0.00 O ATOM 0 H ASP A 87 12.557 5.788 6.334 1.00 0.00 H new ATOM 0 HA ASP A 87 12.626 8.258 7.863 1.00 0.00 H new ATOM 0 HB2 ASP A 87 10.262 7.186 6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.796 8.845 6.508 1.00 0.00 H new ATOM 1368 N GLU A 88 11.506 5.828 9.292 1.00 0.00 N ATOM 1369 CA GLU A 88 10.741 5.113 10.328 1.00 0.00 C ATOM 1370 C GLU A 88 9.990 6.023 11.306 1.00 0.00 C ATOM 1371 O GLU A 88 8.792 5.842 11.527 1.00 0.00 O ATOM 1372 CB GLU A 88 11.722 4.229 11.103 1.00 0.00 C ATOM 1373 CG GLU A 88 11.096 3.385 12.197 1.00 0.00 C ATOM 1374 CD GLU A 88 12.137 2.600 12.969 1.00 0.00 C ATOM 1375 OE1 GLU A 88 12.720 1.653 12.394 1.00 0.00 O ATOM 1376 OE2 GLU A 88 12.397 2.937 14.144 1.00 0.00 O ATOM 0 H GLU A 88 12.364 5.340 9.033 1.00 0.00 H new ATOM 0 HA GLU A 88 9.969 4.535 9.820 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.227 3.568 10.399 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.487 4.865 11.548 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.545 4.029 12.882 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.375 2.697 11.757 1.00 0.00 H new ATOM 1383 N GLN A 89 10.686 6.999 11.876 1.00 0.00 N ATOM 1384 CA GLN A 89 10.117 7.849 12.924 1.00 0.00 C ATOM 1385 C GLN A 89 8.885 8.611 12.435 1.00 0.00 C ATOM 1386 O GLN A 89 8.005 8.956 13.224 1.00 0.00 O ATOM 1387 CB GLN A 89 11.162 8.842 13.446 1.00 0.00 C ATOM 1388 CG GLN A 89 12.319 8.192 14.195 1.00 0.00 C ATOM 1389 CD GLN A 89 13.207 7.350 13.300 1.00 0.00 C ATOM 1390 OE1 GLN A 89 13.354 7.627 12.110 1.00 0.00 O ATOM 1391 NE2 GLN A 89 13.800 6.314 13.864 1.00 0.00 N ATOM 0 H GLN A 89 11.650 7.225 11.631 1.00 0.00 H new ATOM 0 HA GLN A 89 9.809 7.189 13.735 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.561 9.409 12.605 1.00 0.00 H new ATOM 0 HB3 GLN A 89 10.671 9.556 14.107 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.921 8.969 14.667 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.921 7.567 14.994 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.652 6.118 14.854 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.406 5.709 13.310 1.00 0.00 H new ATOM 1400 N PHE A 90 8.817 8.858 11.136 1.00 0.00 N ATOM 1401 CA PHE A 90 7.709 9.605 10.558 1.00 0.00 C ATOM 1402 C PHE A 90 6.882 8.704 9.649 1.00 0.00 C ATOM 1403 O PHE A 90 5.689 8.504 9.878 1.00 0.00 O ATOM 1404 CB PHE A 90 8.234 10.814 9.778 1.00 0.00 C ATOM 1405 CG PHE A 90 9.086 11.736 10.607 1.00 0.00 C ATOM 1406 CD1 PHE A 90 8.509 12.726 11.387 1.00 0.00 C ATOM 1407 CD2 PHE A 90 10.466 11.606 10.611 1.00 0.00 C ATOM 1408 CE1 PHE A 90 9.292 13.568 12.153 1.00 0.00 C ATOM 1409 CE2 PHE A 90 11.253 12.446 11.376 1.00 0.00 C ATOM 1410 CZ PHE A 90 10.664 13.427 12.147 1.00 0.00 C ATOM 0 H PHE A 90 9.517 8.552 10.460 1.00 0.00 H new ATOM 0 HA PHE A 90 7.070 9.964 11.365 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.815 10.462 8.926 1.00 0.00 H new ATOM 0 HB3 PHE A 90 7.389 11.374 9.378 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.435 12.840 11.396 1.00 0.00 H new ATOM 0 HD2 PHE A 90 10.932 10.839 10.009 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.830 14.336 12.756 1.00 0.00 H new ATOM 0 HE2 PHE A 90 12.327 12.335 11.370 1.00 0.00 H new ATOM 0 HZ PHE A 90 11.277 14.084 12.746 1.00 0.00 H new ATOM 1420 N SER A 91 7.541 8.154 8.630 1.00 0.00 N ATOM 1421 CA SER A 91 6.912 7.242 7.674 1.00 0.00 C ATOM 1422 C SER A 91 5.791 7.919 6.875 1.00 0.00 C ATOM 1423 O SER A 91 5.512 9.112 7.043 1.00 0.00 O ATOM 1424 CB SER A 91 6.389 5.995 8.395 1.00 0.00 C ATOM 1425 OG SER A 91 7.455 5.289 9.015 1.00 0.00 O ATOM 0 H SER A 91 8.528 8.328 8.443 1.00 0.00 H new ATOM 0 HA SER A 91 7.676 6.944 6.956 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.653 6.284 9.145 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.880 5.344 7.684 1.00 0.00 H new ATOM 0 HG SER A 91 7.689 5.726 9.861 1.00 0.00 H new ATOM 1431 N VAL A 92 5.175 7.154 5.982 1.00 0.00 N ATOM 1432 CA VAL A 92 4.088 7.654 5.153 1.00 0.00 C ATOM 1433 C VAL A 92 2.741 7.337 5.789 1.00 0.00 C ATOM 1434 O VAL A 92 2.679 6.701 6.842 1.00 0.00 O ATOM 1435 CB VAL A 92 4.137 7.060 3.727 1.00 0.00 C ATOM 1436 CG1 VAL A 92 5.393 7.516 3.000 1.00 0.00 C ATOM 1437 CG2 VAL A 92 4.065 5.538 3.770 1.00 0.00 C ATOM 0 H VAL A 92 5.413 6.177 5.814 1.00 0.00 H new ATOM 0 HA VAL A 92 4.210 8.735 5.079 1.00 0.00 H new ATOM 0 HB VAL A 92 3.269 7.425 3.178 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.409 7.087 1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.398 8.604 2.930 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.273 7.184 3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.101 5.143 2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.909 5.150 4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.133 5.231 4.246 1.00 0.00 H new ATOM 1447 N LYS A 93 1.666 7.776 5.152 1.00 0.00 N ATOM 1448 CA LYS A 93 0.330 7.572 5.691 1.00 0.00 C ATOM 1449 C LYS A 93 -0.148 6.144 5.447 1.00 0.00 C ATOM 1450 O LYS A 93 -0.132 5.655 4.314 1.00 0.00 O ATOM 1451 CB LYS A 93 -0.655 8.568 5.078 1.00 0.00 C ATOM 1452 CG LYS A 93 -2.061 8.458 5.646 1.00 0.00 C ATOM 1453 CD LYS A 93 -2.979 9.519 5.068 1.00 0.00 C ATOM 1454 CE LYS A 93 -4.375 9.437 5.663 1.00 0.00 C ATOM 1455 NZ LYS A 93 -4.361 9.604 7.142 1.00 0.00 N ATOM 0 H LYS A 93 1.692 8.275 4.263 1.00 0.00 H new ATOM 0 HA LYS A 93 0.375 7.739 6.767 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.284 9.580 5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.694 8.412 4.000 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.465 7.469 5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.025 8.558 6.731 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.559 10.507 5.259 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.037 9.401 3.986 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.005 10.207 5.217 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.821 8.475 5.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.329 9.779 7.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.990 8.740 7.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.755 10.410 7.395 1.00 0.00 H new ATOM 1469 N HIS A 94 -0.553 5.481 6.519 1.00 0.00 N ATOM 1470 CA HIS A 94 -1.126 4.146 6.427 1.00 0.00 C ATOM 1471 C HIS A 94 -2.633 4.241 6.242 1.00 0.00 C ATOM 1472 O HIS A 94 -3.317 4.913 7.011 1.00 0.00 O ATOM 1473 CB HIS A 94 -0.803 3.334 7.688 1.00 0.00 C ATOM 1474 CG HIS A 94 -1.437 1.970 7.725 1.00 0.00 C ATOM 1475 ND1 HIS A 94 -2.468 1.641 8.579 1.00 0.00 N ATOM 1476 CD2 HIS A 94 -1.160 0.843 7.027 1.00 0.00 C ATOM 1477 CE1 HIS A 94 -2.795 0.374 8.407 1.00 0.00 C ATOM 1478 NE2 HIS A 94 -2.016 -0.136 7.470 1.00 0.00 N ATOM 0 H HIS A 94 -0.495 5.848 7.469 1.00 0.00 H new ATOM 0 HA HIS A 94 -0.690 3.638 5.566 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.278 3.222 7.767 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.129 3.897 8.562 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -0.405 0.734 6.263 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.569 -0.156 8.942 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -2.045 -1.098 7.131 1.00 0.00 H new ATOM 1487 N TYR A 95 -3.141 3.581 5.218 1.00 0.00 N ATOM 1488 CA TYR A 95 -4.570 3.544 4.975 1.00 0.00 C ATOM 1489 C TYR A 95 -5.124 2.207 5.429 1.00 0.00 C ATOM 1490 O TYR A 95 -4.506 1.163 5.213 1.00 0.00 O ATOM 1491 CB TYR A 95 -4.879 3.768 3.493 1.00 0.00 C ATOM 1492 CG TYR A 95 -4.472 5.134 2.988 1.00 0.00 C ATOM 1493 CD1 TYR A 95 -3.184 5.373 2.529 1.00 0.00 C ATOM 1494 CD2 TYR A 95 -5.379 6.186 2.970 1.00 0.00 C ATOM 1495 CE1 TYR A 95 -2.809 6.621 2.069 1.00 0.00 C ATOM 1496 CE2 TYR A 95 -5.012 7.437 2.509 1.00 0.00 C ATOM 1497 CZ TYR A 95 -3.726 7.648 2.061 1.00 0.00 C ATOM 1498 OH TYR A 95 -3.357 8.889 1.600 1.00 0.00 O ATOM 0 H TYR A 95 -2.583 3.062 4.540 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.043 4.346 5.542 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.368 3.006 2.905 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.948 3.633 3.329 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.462 4.570 2.531 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -6.387 6.024 3.322 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -1.802 6.790 1.718 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.729 8.244 2.500 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.813 9.581 2.123 1.00 0.00 H new ATOM 1508 N GLU A 96 -6.274 2.240 6.075 1.00 0.00 N ATOM 1509 CA GLU A 96 -6.892 1.027 6.572 1.00 0.00 C ATOM 1510 C GLU A 96 -7.786 0.420 5.505 1.00 0.00 C ATOM 1511 O GLU A 96 -8.753 1.039 5.060 1.00 0.00 O ATOM 1512 CB GLU A 96 -7.665 1.322 7.859 1.00 0.00 C ATOM 1513 CG GLU A 96 -6.747 1.488 9.063 1.00 0.00 C ATOM 1514 CD GLU A 96 -7.485 1.886 10.321 1.00 0.00 C ATOM 1515 OE1 GLU A 96 -8.011 0.995 11.020 1.00 0.00 O ATOM 1516 OE2 GLU A 96 -7.559 3.099 10.613 1.00 0.00 O ATOM 0 H GLU A 96 -6.798 3.093 6.268 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.118 0.297 6.809 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.253 2.230 7.726 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.368 0.512 8.051 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.217 0.552 9.240 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.994 2.243 8.837 1.00 0.00 H new ATOM 1523 N ALA A 97 -7.434 -0.783 5.079 1.00 0.00 N ATOM 1524 CA ALA A 97 -8.132 -1.448 3.993 1.00 0.00 C ATOM 1525 C ALA A 97 -8.783 -2.738 4.465 1.00 0.00 C ATOM 1526 O ALA A 97 -8.371 -3.322 5.468 1.00 0.00 O ATOM 1527 CB ALA A 97 -7.165 -1.738 2.857 1.00 0.00 C ATOM 0 H ALA A 97 -6.663 -1.321 5.473 1.00 0.00 H new ATOM 0 HA ALA A 97 -8.919 -0.783 3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.696 -2.237 2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.741 -0.802 2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.364 -2.383 3.217 1.00 0.00 H new ATOM 1533 N ARG A 98 -9.805 -3.170 3.741 1.00 0.00 N ATOM 1534 CA ARG A 98 -10.477 -4.429 4.025 1.00 0.00 C ATOM 1535 C ARG A 98 -11.092 -4.977 2.748 1.00 0.00 C ATOM 1536 O ARG A 98 -11.346 -4.225 1.802 1.00 0.00 O ATOM 1537 CB ARG A 98 -11.576 -4.242 5.080 1.00 0.00 C ATOM 1538 CG ARG A 98 -12.784 -3.469 4.573 1.00 0.00 C ATOM 1539 CD ARG A 98 -13.880 -3.388 5.620 1.00 0.00 C ATOM 1540 NE ARG A 98 -15.070 -2.700 5.114 1.00 0.00 N ATOM 1541 CZ ARG A 98 -16.251 -2.707 5.734 1.00 0.00 C ATOM 1542 NH1 ARG A 98 -16.393 -3.332 6.894 1.00 0.00 N ATOM 1543 NH2 ARG A 98 -17.294 -2.080 5.199 1.00 0.00 N ATOM 0 H ARG A 98 -10.190 -2.661 2.945 1.00 0.00 H new ATOM 0 HA ARG A 98 -9.739 -5.130 4.415 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.903 -5.221 5.429 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -11.157 -3.720 5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.478 -2.462 4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -13.173 -3.950 3.676 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -14.151 -4.394 5.940 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.504 -2.864 6.499 1.00 0.00 H new ATOM 0 HE ARG A 98 -14.991 -2.186 4.237 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -15.597 -3.810 7.316 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -17.298 -3.335 7.364 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -17.194 -1.590 4.310 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -18.195 -2.089 5.678 1.00 0.00 H new ATOM 1557 N VAL A 99 -11.325 -6.277 2.714 1.00 0.00 N ATOM 1558 CA VAL A 99 -11.995 -6.891 1.584 1.00 0.00 C ATOM 1559 C VAL A 99 -13.466 -7.125 1.914 1.00 0.00 C ATOM 1560 O VAL A 99 -13.814 -8.037 2.665 1.00 0.00 O ATOM 1561 CB VAL A 99 -11.322 -8.216 1.168 1.00 0.00 C ATOM 1562 CG1 VAL A 99 -11.989 -8.797 -0.070 1.00 0.00 C ATOM 1563 CG2 VAL A 99 -9.836 -8.001 0.923 1.00 0.00 C ATOM 0 H VAL A 99 -11.060 -6.926 3.455 1.00 0.00 H new ATOM 0 HA VAL A 99 -11.918 -6.206 0.739 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.440 -8.930 1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -11.497 -9.730 -0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.041 -8.989 0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -11.907 -8.088 -0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.375 -8.945 0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -9.701 -7.269 0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.366 -7.635 1.836 1.00 0.00 H new ATOM 1573 N LYS A 100 -14.315 -6.274 1.361 1.00 0.00 N ATOM 1574 CA LYS A 100 -15.746 -6.334 1.603 1.00 0.00 C ATOM 1575 C LYS A 100 -16.426 -7.204 0.555 1.00 0.00 C ATOM 1576 O LYS A 100 -16.724 -6.742 -0.548 1.00 0.00 O ATOM 1577 CB LYS A 100 -16.329 -4.918 1.585 1.00 0.00 C ATOM 1578 CG LYS A 100 -17.847 -4.848 1.656 1.00 0.00 C ATOM 1579 CD LYS A 100 -18.313 -3.402 1.701 1.00 0.00 C ATOM 1580 CE LYS A 100 -19.773 -3.254 1.301 1.00 0.00 C ATOM 1581 NZ LYS A 100 -20.686 -4.012 2.192 1.00 0.00 N ATOM 0 H LYS A 100 -14.031 -5.523 0.732 1.00 0.00 H new ATOM 0 HA LYS A 100 -15.924 -6.779 2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -15.915 -4.360 2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -15.999 -4.417 0.675 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -18.281 -5.349 0.791 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -18.200 -5.378 2.541 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.173 -3.008 2.708 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -17.693 -2.802 1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -20.046 -2.199 1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -19.902 -3.599 0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -21.672 -3.811 1.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -20.502 -5.031 2.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -20.525 -3.726 3.179 1.00 0.00 H new ATOM 1595 N ASP A 101 -16.600 -8.478 0.895 1.00 0.00 N ATOM 1596 CA ASP A 101 -17.331 -9.434 0.059 1.00 0.00 C ATOM 1597 C ASP A 101 -16.673 -9.587 -1.314 1.00 0.00 C ATOM 1598 O ASP A 101 -17.311 -9.987 -2.286 1.00 0.00 O ATOM 1599 CB ASP A 101 -18.795 -8.997 -0.092 1.00 0.00 C ATOM 1600 CG ASP A 101 -19.713 -10.141 -0.479 1.00 0.00 C ATOM 1601 OD1 ASP A 101 -19.961 -11.021 0.371 1.00 0.00 O ATOM 1602 OD2 ASP A 101 -20.199 -10.169 -1.628 1.00 0.00 O ATOM 0 H ASP A 101 -16.238 -8.881 1.760 1.00 0.00 H new ATOM 0 HA ASP A 101 -17.302 -10.406 0.552 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -19.139 -8.563 0.847 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -18.860 -8.214 -0.847 1.00 0.00 H new ATOM 1607 N GLY A 102 -15.385 -9.292 -1.382 1.00 0.00 N ATOM 1608 CA GLY A 102 -14.669 -9.413 -2.634 1.00 0.00 C ATOM 1609 C GLY A 102 -14.320 -8.072 -3.254 1.00 0.00 C ATOM 1610 O GLY A 102 -13.792 -8.019 -4.363 1.00 0.00 O ATOM 0 H GLY A 102 -14.823 -8.971 -0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.752 -9.979 -2.468 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.274 -9.985 -3.337 1.00 0.00 H new ATOM 1614 N VAL A 103 -14.617 -6.988 -2.550 1.00 0.00 N ATOM 1615 CA VAL A 103 -14.285 -5.650 -3.032 1.00 0.00 C ATOM 1616 C VAL A 103 -13.317 -4.963 -2.068 1.00 0.00 C ATOM 1617 O VAL A 103 -13.433 -5.117 -0.855 1.00 0.00 O ATOM 1618 CB VAL A 103 -15.554 -4.785 -3.201 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -15.218 -3.445 -3.839 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -16.605 -5.521 -4.019 1.00 0.00 C ATOM 0 H VAL A 103 -15.086 -7.007 -1.645 1.00 0.00 H new ATOM 0 HA VAL A 103 -13.809 -5.756 -4.007 1.00 0.00 H new ATOM 0 HB VAL A 103 -15.965 -4.594 -2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.128 -2.855 -3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -14.511 -2.908 -3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -14.774 -3.611 -4.821 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.489 -4.893 -4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.203 -5.751 -5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -16.877 -6.448 -3.513 1.00 0.00 H new ATOM 1630 N VAL A 104 -12.361 -4.220 -2.611 1.00 0.00 N ATOM 1631 CA VAL A 104 -11.355 -3.544 -1.797 1.00 0.00 C ATOM 1632 C VAL A 104 -11.891 -2.221 -1.264 1.00 0.00 C ATOM 1633 O VAL A 104 -12.185 -1.304 -2.033 1.00 0.00 O ATOM 1634 CB VAL A 104 -10.062 -3.269 -2.596 1.00 0.00 C ATOM 1635 CG1 VAL A 104 -8.976 -2.706 -1.686 1.00 0.00 C ATOM 1636 CG2 VAL A 104 -9.580 -4.534 -3.297 1.00 0.00 C ATOM 0 H VAL A 104 -12.260 -4.069 -3.615 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.122 -4.211 -0.967 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.285 -2.524 -3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.074 -2.519 -2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.321 -1.772 -1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -8.756 -3.423 -0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.668 -4.317 -3.854 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.377 -5.306 -2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.350 -4.885 -3.984 1.00 0.00 H new ATOM 1646 N GLN A 105 -12.018 -2.131 0.052 1.00 0.00 N ATOM 1647 CA GLN A 105 -12.493 -0.915 0.693 1.00 0.00 C ATOM 1648 C GLN A 105 -11.329 -0.189 1.351 1.00 0.00 C ATOM 1649 O GLN A 105 -10.467 -0.821 1.965 1.00 0.00 O ATOM 1650 CB GLN A 105 -13.551 -1.233 1.751 1.00 0.00 C ATOM 1651 CG GLN A 105 -14.684 -2.106 1.249 1.00 0.00 C ATOM 1652 CD GLN A 105 -15.435 -1.493 0.088 1.00 0.00 C ATOM 1653 OE1 GLN A 105 -15.100 -1.715 -1.070 1.00 0.00 O ATOM 1654 NE2 GLN A 105 -16.464 -0.723 0.394 1.00 0.00 N ATOM 0 H GLN A 105 -11.798 -2.889 0.698 1.00 0.00 H new ATOM 0 HA GLN A 105 -12.941 -0.281 -0.072 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -13.069 -1.730 2.593 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -13.966 -0.298 2.127 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -14.283 -3.073 0.945 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -15.380 -2.293 2.066 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -16.709 -0.564 1.371 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -17.013 -0.288 -0.347 1.00 0.00 H new ATOM 1663 N LEU A 106 -11.305 1.128 1.221 1.00 0.00 N ATOM 1664 CA LEU A 106 -10.257 1.937 1.829 1.00 0.00 C ATOM 1665 C LEU A 106 -10.849 2.968 2.777 1.00 0.00 C ATOM 1666 O LEU A 106 -11.700 3.764 2.383 1.00 0.00 O ATOM 1667 CB LEU A 106 -9.433 2.660 0.756 1.00 0.00 C ATOM 1668 CG LEU A 106 -8.652 1.760 -0.202 1.00 0.00 C ATOM 1669 CD1 LEU A 106 -7.897 2.601 -1.218 1.00 0.00 C ATOM 1670 CD2 LEU A 106 -7.689 0.873 0.568 1.00 0.00 C ATOM 0 H LEU A 106 -12.000 1.662 0.699 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.609 1.263 2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.105 3.286 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.729 3.327 1.254 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.360 1.123 -0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.345 1.947 -1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.604 3.201 -1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.199 3.259 -0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.141 0.239 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.986 1.495 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.248 0.248 1.265 1.00 0.00 H new ATOM 1682 N ARG A 107 -10.408 2.942 4.030 1.00 0.00 N ATOM 1683 CA ARG A 107 -10.755 3.992 4.972 1.00 0.00 C ATOM 1684 C ARG A 107 -9.518 4.821 5.290 1.00 0.00 C ATOM 1685 O ARG A 107 -8.617 4.376 6.002 1.00 0.00 O ATOM 1686 CB ARG A 107 -11.360 3.436 6.270 1.00 0.00 C ATOM 1687 CG ARG A 107 -11.680 4.528 7.280 1.00 0.00 C ATOM 1688 CD ARG A 107 -12.541 4.029 8.433 1.00 0.00 C ATOM 1689 NE ARG A 107 -12.018 2.822 9.069 1.00 0.00 N ATOM 1690 CZ ARG A 107 -10.859 2.746 9.724 1.00 0.00 C ATOM 1691 NH1 ARG A 107 -10.040 3.793 9.796 1.00 0.00 N ATOM 1692 NH2 ARG A 107 -10.520 1.610 10.318 1.00 0.00 N ATOM 0 H ARG A 107 -9.812 2.208 4.413 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.515 4.617 4.503 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -12.271 2.885 6.035 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -10.664 2.726 6.716 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -10.750 4.934 7.676 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -12.195 5.345 6.775 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -12.625 4.817 9.181 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -13.547 3.830 8.065 1.00 0.00 H new ATOM 0 HE ARG A 107 -12.582 1.974 9.007 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -10.295 4.672 9.346 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -9.157 3.716 10.302 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -11.144 0.804 10.271 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.636 1.542 10.821 1.00 0.00 H new ATOM 1706 N GLY A 108 -9.476 6.017 4.729 1.00 0.00 N ATOM 1707 CA GLY A 108 -8.378 6.923 4.985 1.00 0.00 C ATOM 1708 C GLY A 108 -8.871 8.269 5.456 1.00 0.00 C ATOM 1709 O GLY A 108 -9.403 8.387 6.561 1.00 0.00 O ATOM 0 H GLY A 108 -10.189 6.379 4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -7.717 6.492 5.738 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -7.788 7.048 4.077 1.00 0.00 H new ATOM 1713 N GLY A 109 -8.712 9.279 4.616 1.00 0.00 N ATOM 1714 CA GLY A 109 -9.186 10.600 4.952 1.00 0.00 C ATOM 1715 C GLY A 109 -10.108 11.164 3.890 1.00 0.00 C ATOM 1716 O GLY A 109 -9.957 10.870 2.704 1.00 0.00 O ATOM 0 H GLY A 109 -8.261 9.205 3.704 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.712 10.564 5.906 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.334 11.267 5.083 1.00 0.00 H new ATOM 1720 N SER A 110 -11.075 11.956 4.319 1.00 0.00 N ATOM 1721 CA SER A 110 -11.997 12.613 3.409 1.00 0.00 C ATOM 1722 C SER A 110 -12.416 13.959 3.991 1.00 0.00 C ATOM 1723 O SER A 110 -13.293 13.981 4.875 1.00 0.00 O ATOM 1724 CB SER A 110 -13.219 11.728 3.150 1.00 0.00 C ATOM 1725 OG SER A 110 -12.833 10.492 2.566 1.00 0.00 O ATOM 1726 OXT SER A 110 -11.824 14.988 3.603 1.00 0.00 O ATOM 0 H SER A 110 -11.243 12.161 5.304 1.00 0.00 H new ATOM 0 HA SER A 110 -11.498 12.781 2.454 1.00 0.00 H new ATOM 0 HB2 SER A 110 -13.745 11.544 4.087 1.00 0.00 H new ATOM 0 HB3 SER A 110 -13.915 12.246 2.490 1.00 0.00 H new ATOM 0 HG SER A 110 -13.628 9.941 2.410 1.00 0.00 H new TER 1732 SER A 110