USER MOD reduce.3.24.130724 H: found=0, std=0, add=1177, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1177 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 131 ASN :FLIP amide:sc= -0.606 F(o=-0.66,f=-0.084) USER MOD Set 1.2: A 134 THR OG1 : rot -82:sc= 0.522 USER MOD Set 2.1: A 127 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 135 LYS NZ :NH3+ -119:sc= 0.838 (180deg=-0.959) USER MOD Set 3.1: A 86 CYS SG : rot -36:sc= -1.85! USER MOD Set 3.2: A 90 THR OG1 : rot 86:sc= 1.1 USER MOD Set 4.1: A 83 SER OG : rot 180:sc= 0.546 USER MOD Set 4.2: A 84 LYS NZ :NH3+ -116:sc= -0.226 (180deg=-1.66!) USER MOD Set 5.1: A 80 TYR OH : rot 60:sc= -0.663 USER MOD Set 5.2: A 89 GLN : amide:sc= -5.32 K(o=-6,f=-7.2!) USER MOD Set 6.1: A 20 TYR OH : rot 150:sc= -0.999 USER MOD Set 6.2: A 77 SER OG : rot 149:sc= 0.493 USER MOD Single : A 9 HIS : no HD1:sc= -0.179 X(o=-0.18,f=0.028) USER MOD Single : A 10 MET CE :methyl 172:sc= -2.14 (180deg=-2.34) USER MOD Single : A 19 CYS SG : rot 45:sc= 0.693 USER MOD Single : A 21 CYS SG : rot -53:sc= -0.0362 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.323 K(o=-0.32,f=-2.5!) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.92 F(o=-1.8,f=-0.92) USER MOD Single : A 31 MET CE :methyl -177:sc= -5.91! (180deg=-6.32!) USER MOD Single : A 34 GLN : amide:sc= -0.295 X(o=-0.3,f=-0.077) USER MOD Single : A 37 GLN : amide:sc= -0.622 K(o=-0.62,f=-2.8!) USER MOD Single : A 38 THR OG1 : rot 59:sc= 0.122 USER MOD Single : A 39 ASN : amide:sc= -0.543 K(o=-0.54,f=-2.4!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 157:sc= -0.0893 (180deg=-0.407) USER MOD Single : A 45 CYS SG : rot 135:sc= -3.31! USER MOD Single : A 47 SER OG : rot 180:sc= -0.0335 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 150:sc= -1.12 USER MOD Single : A 72 MET CE :methyl -135:sc= -2.71 (180deg=-8.52!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= -2.11! USER MOD Single : A 97 SER OG : rot 180:sc= -0.854 USER MOD Single : A 101 HIS : no HD1:sc= -1.75 K(o=-1.8,f=-2.4) USER MOD Single : A 102 GLN : amide:sc= -0.778 K(o=-0.78,f=-1.7!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 134:sc= 0.428 (180deg=-1.49) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 MET CE :methyl -115:sc= -6.25! (180deg=-10.9!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 160:sc= -1.89! (180deg=-3.69!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot -49:sc= 0.182 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 CYS SG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 45:sc= 0.0657 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 157:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 9 -6.422 -11.601 -16.172 1.00 0.00 N ATOM 2 CA HIS A 9 -6.597 -10.569 -15.156 1.00 0.00 C ATOM 3 C HIS A 9 -6.747 -11.187 -13.769 1.00 0.00 C ATOM 4 O HIS A 9 -7.329 -12.261 -13.615 1.00 0.00 O ATOM 5 CB HIS A 9 -7.819 -9.708 -15.482 1.00 0.00 C ATOM 6 CG HIS A 9 -7.566 -8.237 -15.349 1.00 0.00 C ATOM 7 ND1 HIS A 9 -8.124 -7.464 -14.353 1.00 0.00 N ATOM 8 CD2 HIS A 9 -6.810 -7.398 -16.095 1.00 0.00 C ATOM 9 CE1 HIS A 9 -7.722 -6.214 -14.492 1.00 0.00 C ATOM 10 NE2 HIS A 9 -6.923 -6.147 -15.541 1.00 0.00 N ATOM 0 HA HIS A 9 -5.707 -9.939 -15.155 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -8.143 -9.922 -16.500 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -8.639 -9.989 -14.821 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.227 -7.663 -16.964 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -8.000 -5.387 -13.856 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -6.464 -5.303 -15.884 1.00 0.00 H new ATOM 19 N MET A 10 -6.216 -10.498 -12.763 1.00 0.00 N ATOM 20 CA MET A 10 -6.286 -10.970 -11.384 1.00 0.00 C ATOM 21 C MET A 10 -5.716 -12.382 -11.253 1.00 0.00 C ATOM 22 O MET A 10 -6.450 -13.336 -10.992 1.00 0.00 O ATOM 23 CB MET A 10 -7.733 -10.945 -10.884 1.00 0.00 C ATOM 24 CG MET A 10 -7.884 -11.392 -9.436 1.00 0.00 C ATOM 25 SD MET A 10 -9.595 -11.753 -8.998 1.00 0.00 S ATOM 26 CE MET A 10 -9.949 -10.406 -7.871 1.00 0.00 C ATOM 0 H MET A 10 -5.731 -9.608 -12.878 1.00 0.00 H new ATOM 0 HA MET A 10 -5.684 -10.299 -10.772 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.127 -9.934 -10.987 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.340 -11.590 -11.520 1.00 0.00 H new ATOM 0 HG2 MET A 10 -7.275 -12.280 -9.268 1.00 0.00 H new ATOM 0 HG3 MET A 10 -7.501 -10.613 -8.777 1.00 0.00 H new ATOM 0 HE1 MET A 10 -11.011 -10.408 -7.624 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.364 -10.531 -6.960 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.688 -9.459 -8.343 1.00 0.00 H new ATOM 36 N PRO A 11 -4.394 -12.536 -11.429 1.00 0.00 N ATOM 37 CA PRO A 11 -3.733 -13.840 -11.322 1.00 0.00 C ATOM 38 C PRO A 11 -3.979 -14.493 -9.965 1.00 0.00 C ATOM 39 O PRO A 11 -4.895 -14.110 -9.237 1.00 0.00 O ATOM 40 CB PRO A 11 -2.247 -13.511 -11.497 1.00 0.00 C ATOM 41 CG PRO A 11 -2.224 -12.207 -12.216 1.00 0.00 C ATOM 42 CD PRO A 11 -3.440 -11.458 -11.747 1.00 0.00 C ATOM 0 HA PRO A 11 -4.109 -14.550 -12.059 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.742 -13.440 -10.534 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.736 -14.286 -12.068 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.313 -11.653 -11.991 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.249 -12.355 -13.296 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.222 -10.842 -10.875 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.826 -10.792 -12.519 1.00 0.00 H new ATOM 50 N GLU A 12 -3.156 -15.478 -9.632 1.00 0.00 N ATOM 51 CA GLU A 12 -3.282 -16.186 -8.363 1.00 0.00 C ATOM 52 C GLU A 12 -2.326 -15.614 -7.321 1.00 0.00 C ATOM 53 O GLU A 12 -2.658 -15.529 -6.139 1.00 0.00 O ATOM 54 CB GLU A 12 -3.011 -17.679 -8.557 1.00 0.00 C ATOM 55 CG GLU A 12 -4.223 -18.459 -9.041 1.00 0.00 C ATOM 56 CD GLU A 12 -4.369 -19.799 -8.348 1.00 0.00 C ATOM 57 OE1 GLU A 12 -4.939 -19.835 -7.238 1.00 0.00 O ATOM 58 OE2 GLU A 12 -3.912 -20.813 -8.917 1.00 0.00 O ATOM 0 H GLU A 12 -2.392 -15.806 -10.223 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.302 -16.054 -8.003 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.200 -17.802 -9.274 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.669 -18.104 -7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.122 -17.867 -8.872 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.143 -18.617 -10.116 1.00 0.00 H new ATOM 65 N ARG A 13 -1.137 -15.226 -7.768 1.00 0.00 N ATOM 66 CA ARG A 13 -0.130 -14.662 -6.875 1.00 0.00 C ATOM 67 C ARG A 13 0.044 -13.167 -7.124 1.00 0.00 C ATOM 68 O ARG A 13 0.199 -12.732 -8.263 1.00 0.00 O ATOM 69 CB ARG A 13 1.207 -15.380 -7.062 1.00 0.00 C ATOM 70 CG ARG A 13 1.114 -16.890 -6.911 1.00 0.00 C ATOM 71 CD ARG A 13 0.862 -17.291 -5.466 1.00 0.00 C ATOM 72 NE ARG A 13 1.158 -18.701 -5.230 1.00 0.00 N ATOM 73 CZ ARG A 13 0.727 -19.381 -4.169 1.00 0.00 C ATOM 74 NH1 ARG A 13 -0.018 -18.783 -3.247 1.00 0.00 N ATOM 75 NH2 ARG A 13 1.041 -20.663 -4.031 1.00 0.00 N ATOM 0 H ARG A 13 -0.846 -15.291 -8.743 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.471 -14.804 -5.849 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.600 -15.146 -8.051 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.922 -14.994 -6.335 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.310 -17.271 -7.541 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.038 -17.349 -7.261 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.475 -16.677 -4.807 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.179 -17.091 -5.211 1.00 0.00 H new ATOM 0 HE ARG A 13 1.728 -19.194 -5.918 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.263 -17.798 -3.349 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.345 -19.308 -2.436 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.612 -21.127 -4.737 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.711 -21.184 -3.219 1.00 0.00 H new ATOM 89 N PHE A 14 0.015 -12.385 -6.048 1.00 0.00 N ATOM 90 CA PHE A 14 0.169 -10.939 -6.152 1.00 0.00 C ATOM 91 C PHE A 14 1.353 -10.455 -5.323 1.00 0.00 C ATOM 92 O PHE A 14 1.914 -11.207 -4.527 1.00 0.00 O ATOM 93 CB PHE A 14 -1.112 -10.240 -5.700 1.00 0.00 C ATOM 94 CG PHE A 14 -2.296 -10.552 -6.567 1.00 0.00 C ATOM 95 CD1 PHE A 14 -2.506 -9.860 -7.749 1.00 0.00 C ATOM 96 CD2 PHE A 14 -3.199 -11.538 -6.204 1.00 0.00 C ATOM 97 CE1 PHE A 14 -3.595 -10.144 -8.550 1.00 0.00 C ATOM 98 CE2 PHE A 14 -4.289 -11.828 -7.003 1.00 0.00 C ATOM 99 CZ PHE A 14 -4.487 -11.130 -8.178 1.00 0.00 C ATOM 0 H PHE A 14 -0.114 -12.729 -5.096 1.00 0.00 H new ATOM 0 HA PHE A 14 0.361 -10.691 -7.196 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.335 -10.533 -4.674 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.948 -9.162 -5.696 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.810 -9.090 -8.047 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.049 -12.087 -5.286 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.749 -9.595 -9.467 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -4.985 -12.600 -6.709 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.338 -11.355 -8.804 1.00 0.00 H new ATOM 109 N ASP A 15 1.730 -9.197 -5.519 1.00 0.00 N ATOM 110 CA ASP A 15 2.852 -8.617 -4.794 1.00 0.00 C ATOM 111 C ASP A 15 2.375 -7.832 -3.575 1.00 0.00 C ATOM 112 O ASP A 15 2.642 -8.218 -2.438 1.00 0.00 O ATOM 113 CB ASP A 15 3.666 -7.707 -5.712 1.00 0.00 C ATOM 114 CG ASP A 15 4.621 -8.484 -6.596 1.00 0.00 C ATOM 115 OD1 ASP A 15 4.142 -9.293 -7.420 1.00 0.00 O ATOM 116 OD2 ASP A 15 5.847 -8.286 -6.465 1.00 0.00 O ATOM 0 H ASP A 15 1.275 -8.560 -6.173 1.00 0.00 H new ATOM 0 HA ASP A 15 3.484 -9.435 -4.449 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.988 -7.126 -6.337 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.231 -6.997 -5.108 1.00 0.00 H new ATOM 121 N ALA A 16 1.674 -6.728 -3.818 1.00 0.00 N ATOM 122 CA ALA A 16 1.176 -5.896 -2.727 1.00 0.00 C ATOM 123 C ALA A 16 -0.240 -5.394 -2.989 1.00 0.00 C ATOM 124 O ALA A 16 -0.776 -5.542 -4.087 1.00 0.00 O ATOM 125 CB ALA A 16 2.113 -4.720 -2.491 1.00 0.00 C ATOM 0 H ALA A 16 1.440 -6.391 -4.752 1.00 0.00 H new ATOM 0 HA ALA A 16 1.143 -6.518 -1.833 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.730 -4.108 -1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.105 -5.091 -2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.177 -4.118 -3.397 1.00 0.00 H new ATOM 131 N PHE A 17 -0.837 -4.798 -1.963 1.00 0.00 N ATOM 132 CA PHE A 17 -2.191 -4.265 -2.064 1.00 0.00 C ATOM 133 C PHE A 17 -2.217 -2.783 -1.695 1.00 0.00 C ATOM 134 O PHE A 17 -1.389 -2.317 -0.913 1.00 0.00 O ATOM 135 CB PHE A 17 -3.132 -5.054 -1.150 1.00 0.00 C ATOM 136 CG PHE A 17 -4.561 -4.597 -1.208 1.00 0.00 C ATOM 137 CD1 PHE A 17 -4.987 -3.519 -0.450 1.00 0.00 C ATOM 138 CD2 PHE A 17 -5.479 -5.250 -2.014 1.00 0.00 C ATOM 139 CE1 PHE A 17 -6.304 -3.098 -0.497 1.00 0.00 C ATOM 140 CE2 PHE A 17 -6.795 -4.835 -2.066 1.00 0.00 C ATOM 141 CZ PHE A 17 -7.208 -3.759 -1.306 1.00 0.00 C ATOM 0 H PHE A 17 -0.403 -4.671 -1.049 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.528 -4.367 -3.096 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.087 -6.109 -1.422 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.777 -4.974 -0.123 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.283 -3.001 0.185 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.162 -6.094 -2.609 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.625 -2.255 0.097 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.500 -5.351 -2.700 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.237 -3.434 -1.344 1.00 0.00 H new ATOM 151 N ILE A 18 -3.169 -2.046 -2.261 1.00 0.00 N ATOM 152 CA ILE A 18 -3.294 -0.617 -1.989 1.00 0.00 C ATOM 153 C ILE A 18 -4.497 -0.330 -1.095 1.00 0.00 C ATOM 154 O ILE A 18 -5.633 -0.642 -1.449 1.00 0.00 O ATOM 155 CB ILE A 18 -3.429 0.198 -3.291 1.00 0.00 C ATOM 156 CG1 ILE A 18 -2.261 -0.105 -4.229 1.00 0.00 C ATOM 157 CG2 ILE A 18 -3.496 1.690 -2.987 1.00 0.00 C ATOM 158 CD1 ILE A 18 -0.909 0.197 -3.622 1.00 0.00 C ATOM 0 H ILE A 18 -3.864 -2.414 -2.910 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.382 -0.314 -1.475 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.357 -0.091 -3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.297 -1.157 -4.513 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.379 0.477 -5.143 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.591 2.247 -3.919 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.359 1.894 -2.353 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.586 1.998 -2.472 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.126 -0.041 -4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.854 1.254 -3.363 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.771 -0.404 -2.723 1.00 0.00 H new ATOM 170 N CYS A 19 -4.239 0.268 0.066 1.00 0.00 N ATOM 171 CA CYS A 19 -5.306 0.593 1.010 1.00 0.00 C ATOM 172 C CYS A 19 -5.473 2.104 1.168 1.00 0.00 C ATOM 173 O CYS A 19 -4.747 2.742 1.934 1.00 0.00 O ATOM 174 CB CYS A 19 -5.018 -0.044 2.371 1.00 0.00 C ATOM 175 SG CYS A 19 -5.899 -1.597 2.658 1.00 0.00 S ATOM 0 H CYS A 19 -3.305 0.536 0.375 1.00 0.00 H new ATOM 0 HA CYS A 19 -6.237 0.190 0.611 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.947 -0.225 2.456 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -5.285 0.664 3.156 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.818 -2.344 1.597 1.00 0.00 H new ATOM 181 N TYR A 20 -6.439 2.669 0.448 1.00 0.00 N ATOM 182 CA TYR A 20 -6.709 4.102 0.520 1.00 0.00 C ATOM 183 C TYR A 20 -8.200 4.387 0.350 1.00 0.00 C ATOM 184 O TYR A 20 -8.968 3.512 -0.051 1.00 0.00 O ATOM 185 CB TYR A 20 -5.908 4.855 -0.543 1.00 0.00 C ATOM 186 CG TYR A 20 -5.844 6.349 -0.311 1.00 0.00 C ATOM 187 CD1 TYR A 20 -5.650 6.870 0.964 1.00 0.00 C ATOM 188 CD2 TYR A 20 -5.978 7.241 -1.367 1.00 0.00 C ATOM 189 CE1 TYR A 20 -5.591 8.234 1.177 1.00 0.00 C ATOM 190 CE2 TYR A 20 -5.920 8.606 -1.161 1.00 0.00 C ATOM 191 CZ TYR A 20 -5.726 9.097 0.112 1.00 0.00 C ATOM 192 OH TYR A 20 -5.669 10.456 0.319 1.00 0.00 O ATOM 0 H TYR A 20 -7.047 2.157 -0.191 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.401 4.451 1.506 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.894 4.457 -0.571 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -6.351 4.667 -1.521 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.544 6.197 1.802 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.130 6.861 -2.366 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -5.440 8.622 2.174 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.026 9.285 -1.994 1.00 0.00 H new ATOM 0 HH TYR A 20 -5.308 10.894 -0.480 1.00 0.00 H new ATOM 202 N CYS A 21 -8.601 5.617 0.657 1.00 0.00 N ATOM 203 CA CYS A 21 -9.999 6.024 0.541 1.00 0.00 C ATOM 204 C CYS A 21 -10.344 6.411 -0.896 1.00 0.00 C ATOM 205 O CYS A 21 -9.480 6.838 -1.660 1.00 0.00 O ATOM 206 CB CYS A 21 -10.294 7.198 1.477 1.00 0.00 C ATOM 207 SG CYS A 21 -9.163 8.597 1.293 1.00 0.00 S ATOM 0 H CYS A 21 -7.976 6.352 0.989 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.617 5.173 0.827 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.312 7.543 1.299 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -10.253 6.845 2.508 1.00 0.00 H new ATOM 0 HG CYS A 21 -7.936 8.179 1.390 1.00 0.00 H new ATOM 213 N PRO A 22 -11.626 6.262 -1.280 1.00 0.00 N ATOM 214 CA PRO A 22 -12.097 6.592 -2.630 1.00 0.00 C ATOM 215 C PRO A 22 -12.250 8.096 -2.863 1.00 0.00 C ATOM 216 O PRO A 22 -12.690 8.521 -3.932 1.00 0.00 O ATOM 217 CB PRO A 22 -13.457 5.904 -2.696 1.00 0.00 C ATOM 218 CG PRO A 22 -13.943 5.904 -1.288 1.00 0.00 C ATOM 219 CD PRO A 22 -12.718 5.756 -0.424 1.00 0.00 C ATOM 0 HA PRO A 22 -11.390 6.268 -3.394 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -14.142 6.441 -3.352 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.370 4.890 -3.086 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.473 6.829 -1.058 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.642 5.085 -1.117 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.805 6.332 0.497 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.553 4.718 -0.136 1.00 0.00 H new ATOM 227 N SER A 23 -11.886 8.901 -1.866 1.00 0.00 N ATOM 228 CA SER A 23 -11.988 10.349 -1.983 1.00 0.00 C ATOM 229 C SER A 23 -10.882 10.881 -2.881 1.00 0.00 C ATOM 230 O SER A 23 -11.133 11.658 -3.802 1.00 0.00 O ATOM 231 CB SER A 23 -11.903 11.002 -0.602 1.00 0.00 C ATOM 232 OG SER A 23 -13.098 10.802 0.133 1.00 0.00 O ATOM 0 H SER A 23 -11.519 8.574 -0.972 1.00 0.00 H new ATOM 0 HA SER A 23 -12.953 10.595 -2.427 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.060 10.585 -0.051 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.715 12.070 -0.713 1.00 0.00 H new ATOM 0 HG SER A 23 -13.017 11.228 1.012 1.00 0.00 H new ATOM 238 N ASP A 24 -9.656 10.447 -2.609 1.00 0.00 N ATOM 239 CA ASP A 24 -8.509 10.868 -3.398 1.00 0.00 C ATOM 240 C ASP A 24 -7.749 9.657 -3.929 1.00 0.00 C ATOM 241 O ASP A 24 -6.533 9.707 -4.117 1.00 0.00 O ATOM 242 CB ASP A 24 -7.578 11.748 -2.563 1.00 0.00 C ATOM 243 CG ASP A 24 -6.883 12.808 -3.395 1.00 0.00 C ATOM 244 OD1 ASP A 24 -5.830 12.498 -3.991 1.00 0.00 O ATOM 245 OD2 ASP A 24 -7.392 13.948 -3.451 1.00 0.00 O ATOM 0 H ASP A 24 -9.433 9.805 -1.849 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.873 11.449 -4.245 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.152 12.230 -1.771 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.829 11.122 -2.078 1.00 0.00 H new ATOM 250 N ILE A 25 -8.476 8.570 -4.168 1.00 0.00 N ATOM 251 CA ILE A 25 -7.878 7.342 -4.675 1.00 0.00 C ATOM 252 C ILE A 25 -7.290 7.543 -6.070 1.00 0.00 C ATOM 253 O ILE A 25 -6.213 7.034 -6.380 1.00 0.00 O ATOM 254 CB ILE A 25 -8.911 6.194 -4.705 1.00 0.00 C ATOM 255 CG1 ILE A 25 -8.206 4.837 -4.692 1.00 0.00 C ATOM 256 CG2 ILE A 25 -9.825 6.316 -5.917 1.00 0.00 C ATOM 257 CD1 ILE A 25 -7.355 4.583 -5.915 1.00 0.00 C ATOM 0 H ILE A 25 -9.483 8.516 -4.018 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.070 7.073 -3.994 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.528 6.269 -3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.578 4.772 -3.803 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.955 4.049 -4.611 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.543 5.496 -5.915 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.358 7.266 -5.876 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.228 6.274 -6.828 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.887 3.602 -5.835 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.981 4.615 -6.807 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.583 5.349 -5.986 1.00 0.00 H new ATOM 269 N GLN A 26 -8.008 8.286 -6.907 1.00 0.00 N ATOM 270 CA GLN A 26 -7.566 8.556 -8.275 1.00 0.00 C ATOM 271 C GLN A 26 -6.091 8.947 -8.313 1.00 0.00 C ATOM 272 O GLN A 26 -5.333 8.475 -9.162 1.00 0.00 O ATOM 273 CB GLN A 26 -8.412 9.671 -8.892 1.00 0.00 C ATOM 274 CG GLN A 26 -9.868 9.285 -9.100 1.00 0.00 C ATOM 275 CD GLN A 26 -10.377 9.654 -10.481 1.00 0.00 C ATOM 276 OE1 GLN A 26 -9.708 10.361 -11.234 1.00 0.00 O ATOM 277 NE2 GLN A 26 -11.570 9.175 -10.819 1.00 0.00 N ATOM 0 H GLN A 26 -8.901 8.714 -6.663 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.693 7.641 -8.854 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.366 10.549 -8.248 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.979 9.956 -9.851 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.981 8.211 -8.950 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.482 9.778 -8.347 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -12.090 8.592 -10.163 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.965 9.390 -11.734 1.00 0.00 H new ATOM 286 N PHE A 27 -5.695 9.806 -7.386 1.00 0.00 N ATOM 287 CA PHE A 27 -4.312 10.261 -7.305 1.00 0.00 C ATOM 288 C PHE A 27 -3.374 9.097 -7.001 1.00 0.00 C ATOM 289 O PHE A 27 -2.431 8.834 -7.747 1.00 0.00 O ATOM 290 CB PHE A 27 -4.172 11.340 -6.230 1.00 0.00 C ATOM 291 CG PHE A 27 -3.092 12.343 -6.522 1.00 0.00 C ATOM 292 CD1 PHE A 27 -1.837 11.930 -6.945 1.00 0.00 C ATOM 293 CD2 PHE A 27 -3.331 13.700 -6.375 1.00 0.00 C ATOM 294 CE1 PHE A 27 -0.844 12.851 -7.213 1.00 0.00 C ATOM 295 CE2 PHE A 27 -2.340 14.626 -6.641 1.00 0.00 C ATOM 296 CZ PHE A 27 -1.095 14.202 -7.062 1.00 0.00 C ATOM 0 H PHE A 27 -6.312 10.204 -6.677 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.036 10.683 -8.271 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.123 11.862 -6.125 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.964 10.862 -5.273 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.634 10.876 -7.066 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.303 14.038 -6.049 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.129 12.516 -7.541 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.539 15.681 -6.520 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.320 14.924 -7.273 1.00 0.00 H new ATOM 306 N VAL A 28 -3.638 8.406 -5.896 1.00 0.00 N ATOM 307 CA VAL A 28 -2.817 7.273 -5.484 1.00 0.00 C ATOM 308 C VAL A 28 -2.695 6.236 -6.597 1.00 0.00 C ATOM 309 O VAL A 28 -1.588 5.857 -6.980 1.00 0.00 O ATOM 310 CB VAL A 28 -3.389 6.596 -4.225 1.00 0.00 C ATOM 311 CG1 VAL A 28 -2.452 5.506 -3.729 1.00 0.00 C ATOM 312 CG2 VAL A 28 -3.639 7.631 -3.139 1.00 0.00 C ATOM 0 H VAL A 28 -4.416 8.612 -5.269 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.827 7.670 -5.259 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.340 6.130 -4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.875 5.040 -2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.325 4.753 -4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.483 5.942 -3.485 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.043 7.140 -2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.701 8.124 -2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.352 8.372 -3.500 1.00 0.00 H new ATOM 322 N GLN A 29 -3.833 5.780 -7.115 1.00 0.00 N ATOM 323 CA GLN A 29 -3.837 4.791 -8.182 1.00 0.00 C ATOM 324 C GLN A 29 -2.932 5.229 -9.327 1.00 0.00 C ATOM 325 O GLN A 29 -2.275 4.407 -9.962 1.00 0.00 O ATOM 326 CB GLN A 29 -5.261 4.567 -8.689 1.00 0.00 C ATOM 327 CG GLN A 29 -5.881 5.794 -9.334 1.00 0.00 C ATOM 328 CD GLN A 29 -7.106 5.459 -10.163 1.00 0.00 C ATOM 329 OE1 GLN A 29 -8.274 5.486 -9.531 1.00 0.00 O flip ATOM 330 NE2 GLN A 29 -7.005 5.178 -11.357 1.00 0.00 N flip ATOM 0 H GLN A 29 -4.760 6.080 -6.812 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.454 3.852 -7.782 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.255 3.751 -9.412 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.888 4.250 -7.856 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.156 6.508 -8.558 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.140 6.281 -9.968 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.088 5.169 -11.803 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.839 4.954 -11.901 1.00 0.00 H new ATOM 339 N GLU A 30 -2.894 6.534 -9.578 1.00 0.00 N ATOM 340 CA GLU A 30 -2.058 7.079 -10.640 1.00 0.00 C ATOM 341 C GLU A 30 -0.587 6.815 -10.341 1.00 0.00 C ATOM 342 O GLU A 30 0.186 6.458 -11.232 1.00 0.00 O ATOM 343 CB GLU A 30 -2.300 8.581 -10.792 1.00 0.00 C ATOM 344 CG GLU A 30 -1.719 9.164 -12.070 1.00 0.00 C ATOM 345 CD GLU A 30 -2.713 9.170 -13.214 1.00 0.00 C ATOM 346 OE1 GLU A 30 -3.029 8.078 -13.731 1.00 0.00 O ATOM 347 OE2 GLU A 30 -3.175 10.267 -13.593 1.00 0.00 O ATOM 0 H GLU A 30 -3.431 7.231 -9.062 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.322 6.586 -11.575 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.373 8.772 -10.770 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.867 9.099 -9.936 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.384 10.184 -11.880 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.840 8.588 -12.361 1.00 0.00 H new ATOM 354 N MET A 31 -0.211 6.981 -9.077 1.00 0.00 N ATOM 355 CA MET A 31 1.166 6.750 -8.652 1.00 0.00 C ATOM 356 C MET A 31 1.509 5.270 -8.745 1.00 0.00 C ATOM 357 O MET A 31 2.470 4.882 -9.408 1.00 0.00 O ATOM 358 CB MET A 31 1.383 7.225 -7.210 1.00 0.00 C ATOM 359 CG MET A 31 0.591 8.467 -6.827 1.00 0.00 C ATOM 360 SD MET A 31 0.872 8.964 -5.116 1.00 0.00 S ATOM 361 CE MET A 31 0.813 7.378 -4.281 1.00 0.00 C ATOM 0 H MET A 31 -0.840 7.274 -8.329 1.00 0.00 H new ATOM 0 HA MET A 31 1.817 7.319 -9.316 1.00 0.00 H new ATOM 0 HB2 MET A 31 1.116 6.416 -6.531 1.00 0.00 H new ATOM 0 HB3 MET A 31 2.444 7.427 -7.064 1.00 0.00 H new ATOM 0 HG2 MET A 31 0.865 9.288 -7.490 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.472 8.277 -6.977 1.00 0.00 H new ATOM 0 HE1 MET A 31 0.917 7.528 -3.206 1.00 0.00 H new ATOM 0 HE2 MET A 31 -0.141 6.893 -4.488 1.00 0.00 H new ATOM 0 HE3 MET A 31 1.626 6.747 -4.640 1.00 0.00 H new ATOM 371 N ILE A 32 0.712 4.451 -8.068 1.00 0.00 N ATOM 372 CA ILE A 32 0.920 3.009 -8.058 1.00 0.00 C ATOM 373 C ILE A 32 0.855 2.441 -9.476 1.00 0.00 C ATOM 374 O ILE A 32 1.802 1.813 -9.946 1.00 0.00 O ATOM 375 CB ILE A 32 -0.121 2.301 -7.157 1.00 0.00 C ATOM 376 CG1 ILE A 32 0.209 2.519 -5.677 1.00 0.00 C ATOM 377 CG2 ILE A 32 -0.188 0.810 -7.467 1.00 0.00 C ATOM 378 CD1 ILE A 32 0.460 3.965 -5.308 1.00 0.00 C ATOM 0 H ILE A 32 -0.087 4.764 -7.517 1.00 0.00 H new ATOM 0 HA ILE A 32 1.913 2.823 -7.650 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.097 2.739 -7.366 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.614 2.138 -5.072 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.091 1.931 -5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.927 0.337 -6.820 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.474 0.668 -8.509 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.789 0.358 -7.294 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.687 4.035 -4.244 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.303 4.347 -5.884 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.428 4.556 -5.529 1.00 0.00 H new ATOM 390 N ARG A 33 -0.268 2.670 -10.151 1.00 0.00 N ATOM 391 CA ARG A 33 -0.452 2.181 -11.513 1.00 0.00 C ATOM 392 C ARG A 33 0.699 2.631 -12.408 1.00 0.00 C ATOM 393 O ARG A 33 1.062 1.944 -13.364 1.00 0.00 O ATOM 394 CB ARG A 33 -1.793 2.672 -12.073 1.00 0.00 C ATOM 395 CG ARG A 33 -1.758 4.094 -12.613 1.00 0.00 C ATOM 396 CD ARG A 33 -1.390 4.120 -14.087 1.00 0.00 C ATOM 397 NE ARG A 33 -2.571 4.135 -14.946 1.00 0.00 N ATOM 398 CZ ARG A 33 -2.557 3.791 -16.233 1.00 0.00 C ATOM 399 NH1 ARG A 33 -1.426 3.407 -16.812 1.00 0.00 N ATOM 400 NH2 ARG A 33 -3.677 3.832 -16.942 1.00 0.00 N ATOM 0 H ARG A 33 -1.062 3.190 -9.778 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.459 1.091 -11.492 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.109 2.000 -12.871 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.546 2.612 -11.288 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.732 4.562 -12.472 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -1.036 4.682 -12.046 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -0.781 5.000 -14.293 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.781 3.248 -14.324 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.459 4.426 -14.537 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.562 3.374 -16.271 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.421 3.145 -17.798 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.549 4.127 -16.502 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.667 3.569 -17.927 1.00 0.00 H new ATOM 414 N GLN A 34 1.275 3.784 -12.085 1.00 0.00 N ATOM 415 CA GLN A 34 2.392 4.325 -12.847 1.00 0.00 C ATOM 416 C GLN A 34 3.682 3.590 -12.494 1.00 0.00 C ATOM 417 O GLN A 34 4.632 3.570 -13.277 1.00 0.00 O ATOM 418 CB GLN A 34 2.545 5.823 -12.570 1.00 0.00 C ATOM 419 CG GLN A 34 3.759 6.451 -13.238 1.00 0.00 C ATOM 420 CD GLN A 34 3.501 7.872 -13.701 1.00 0.00 C ATOM 421 OE1 GLN A 34 4.259 8.788 -13.384 1.00 0.00 O ATOM 422 NE2 GLN A 34 2.425 8.063 -14.455 1.00 0.00 N ATOM 0 H GLN A 34 0.984 4.363 -11.297 1.00 0.00 H new ATOM 0 HA GLN A 34 2.190 4.183 -13.909 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.647 6.339 -12.910 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.613 5.979 -11.493 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.596 6.447 -12.540 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.054 5.842 -14.093 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.823 7.275 -14.694 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.200 8.998 -14.795 1.00 0.00 H new ATOM 431 N LEU A 35 3.709 2.994 -11.305 1.00 0.00 N ATOM 432 CA LEU A 35 4.875 2.264 -10.842 1.00 0.00 C ATOM 433 C LEU A 35 4.870 0.831 -11.363 1.00 0.00 C ATOM 434 O LEU A 35 5.899 0.315 -11.801 1.00 0.00 O ATOM 435 CB LEU A 35 4.909 2.263 -9.313 1.00 0.00 C ATOM 436 CG LEU A 35 5.304 3.593 -8.673 1.00 0.00 C ATOM 437 CD1 LEU A 35 5.029 3.569 -7.177 1.00 0.00 C ATOM 438 CD2 LEU A 35 6.769 3.898 -8.943 1.00 0.00 C ATOM 0 H LEU A 35 2.931 3.005 -10.646 1.00 0.00 H new ATOM 0 HA LEU A 35 5.766 2.761 -11.227 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.924 1.978 -8.943 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.608 1.496 -8.981 1.00 0.00 H new ATOM 0 HG LEU A 35 4.700 4.383 -9.119 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.317 4.525 -6.739 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.967 3.396 -7.005 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.606 2.769 -6.714 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.034 4.849 -8.480 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.389 3.105 -8.524 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.936 3.959 -10.018 1.00 0.00 H new ATOM 450 N GLU A 36 3.707 0.189 -11.306 1.00 0.00 N ATOM 451 CA GLU A 36 3.569 -1.189 -11.768 1.00 0.00 C ATOM 452 C GLU A 36 3.791 -1.292 -13.273 1.00 0.00 C ATOM 453 O GLU A 36 4.447 -2.218 -13.750 1.00 0.00 O ATOM 454 CB GLU A 36 2.187 -1.735 -11.407 1.00 0.00 C ATOM 455 CG GLU A 36 1.039 -0.883 -11.924 1.00 0.00 C ATOM 456 CD GLU A 36 0.440 -1.426 -13.206 1.00 0.00 C ATOM 457 OE1 GLU A 36 1.207 -1.943 -14.046 1.00 0.00 O ATOM 458 OE2 GLU A 36 -0.794 -1.334 -13.371 1.00 0.00 O ATOM 0 H GLU A 36 2.846 0.600 -10.945 1.00 0.00 H new ATOM 0 HA GLU A 36 4.332 -1.786 -11.268 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.088 -2.744 -11.808 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.109 -1.814 -10.323 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.263 -0.825 -11.161 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.394 0.133 -12.095 1.00 0.00 H new ATOM 465 N GLN A 37 3.241 -0.340 -14.015 1.00 0.00 N ATOM 466 CA GLN A 37 3.376 -0.325 -15.462 1.00 0.00 C ATOM 467 C GLN A 37 4.833 -0.129 -15.875 1.00 0.00 C ATOM 468 O GLN A 37 5.260 -0.605 -16.927 1.00 0.00 O ATOM 469 CB GLN A 37 2.509 0.785 -16.053 1.00 0.00 C ATOM 470 CG GLN A 37 2.951 2.184 -15.654 1.00 0.00 C ATOM 471 CD GLN A 37 3.366 3.031 -16.843 1.00 0.00 C ATOM 472 OE1 GLN A 37 3.474 2.537 -17.964 1.00 0.00 O ATOM 473 NE2 GLN A 37 3.602 4.314 -16.599 1.00 0.00 N ATOM 0 H GLN A 37 2.696 0.434 -13.635 1.00 0.00 H new ATOM 0 HA GLN A 37 3.041 -1.288 -15.848 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.523 0.705 -17.140 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.477 0.635 -15.736 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.137 2.681 -15.126 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.785 2.111 -14.956 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.500 4.680 -15.653 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.886 4.934 -17.358 1.00 0.00 H new ATOM 482 N THR A 38 5.590 0.574 -15.039 1.00 0.00 N ATOM 483 CA THR A 38 6.998 0.832 -15.316 1.00 0.00 C ATOM 484 C THR A 38 7.850 -0.389 -14.985 1.00 0.00 C ATOM 485 O THR A 38 8.594 -0.887 -15.828 1.00 0.00 O ATOM 486 CB THR A 38 7.482 2.042 -14.515 1.00 0.00 C ATOM 487 OG1 THR A 38 6.829 2.104 -13.259 1.00 0.00 O ATOM 488 CG2 THR A 38 7.247 3.360 -15.221 1.00 0.00 C ATOM 0 H THR A 38 5.252 0.975 -14.164 1.00 0.00 H new ATOM 0 HA THR A 38 7.102 1.045 -16.380 1.00 0.00 H new ATOM 0 HB THR A 38 8.556 1.900 -14.396 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.011 1.284 -12.755 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.613 4.176 -14.599 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.778 3.363 -16.173 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.180 3.491 -15.401 1.00 0.00 H new ATOM 496 N ASN A 39 7.733 -0.866 -13.749 1.00 0.00 N ATOM 497 CA ASN A 39 8.491 -2.030 -13.305 1.00 0.00 C ATOM 498 C ASN A 39 7.807 -3.323 -13.736 1.00 0.00 C ATOM 499 O ASN A 39 6.587 -3.453 -13.635 1.00 0.00 O ATOM 500 CB ASN A 39 8.653 -2.008 -11.784 1.00 0.00 C ATOM 501 CG ASN A 39 9.933 -1.322 -11.348 1.00 0.00 C ATOM 502 OD1 ASN A 39 10.865 -1.161 -12.137 1.00 0.00 O ATOM 503 ND2 ASN A 39 9.987 -0.915 -10.085 1.00 0.00 N ATOM 0 H ASN A 39 7.121 -0.465 -13.038 1.00 0.00 H new ATOM 0 HA ASN A 39 9.476 -1.990 -13.770 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.800 -1.497 -11.338 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.645 -3.030 -11.406 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.824 -0.449 -9.735 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.192 -1.069 -9.465 1.00 0.00 H new ATOM 510 N TYR A 40 8.597 -4.277 -14.217 1.00 0.00 N ATOM 511 CA TYR A 40 8.062 -5.559 -14.665 1.00 0.00 C ATOM 512 C TYR A 40 8.177 -6.612 -13.568 1.00 0.00 C ATOM 513 O TYR A 40 8.461 -7.778 -13.840 1.00 0.00 O ATOM 514 CB TYR A 40 8.797 -6.031 -15.919 1.00 0.00 C ATOM 515 CG TYR A 40 8.449 -5.240 -17.162 1.00 0.00 C ATOM 516 CD1 TYR A 40 9.125 -4.066 -17.473 1.00 0.00 C ATOM 517 CD2 TYR A 40 7.445 -5.667 -18.020 1.00 0.00 C ATOM 518 CE1 TYR A 40 8.808 -3.341 -18.607 1.00 0.00 C ATOM 519 CE2 TYR A 40 7.123 -4.947 -19.158 1.00 0.00 C ATOM 520 CZ TYR A 40 7.808 -3.785 -19.444 1.00 0.00 C ATOM 521 OH TYR A 40 7.492 -3.065 -20.573 1.00 0.00 O ATOM 0 H TYR A 40 9.609 -4.188 -14.307 1.00 0.00 H new ATOM 0 HA TYR A 40 7.007 -5.421 -14.900 1.00 0.00 H new ATOM 0 HB2 TYR A 40 9.871 -5.965 -15.746 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.565 -7.082 -16.091 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.910 -3.715 -16.819 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.906 -6.576 -17.796 1.00 0.00 H new ATOM 0 HE1 TYR A 40 9.342 -2.431 -18.836 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.341 -5.293 -19.817 1.00 0.00 H new ATOM 0 HH TYR A 40 6.766 -3.514 -21.055 1.00 0.00 H new ATOM 531 N ARG A 41 7.949 -6.195 -12.326 1.00 0.00 N ATOM 532 CA ARG A 41 8.024 -7.105 -11.189 1.00 0.00 C ATOM 533 C ARG A 41 7.214 -6.573 -10.011 1.00 0.00 C ATOM 534 O ARG A 41 7.520 -6.864 -8.854 1.00 0.00 O ATOM 535 CB ARG A 41 9.481 -7.313 -10.768 1.00 0.00 C ATOM 536 CG ARG A 41 9.779 -8.725 -10.289 1.00 0.00 C ATOM 537 CD ARG A 41 11.274 -9.004 -10.260 1.00 0.00 C ATOM 538 NE ARG A 41 11.611 -10.254 -10.937 1.00 0.00 N ATOM 539 CZ ARG A 41 11.643 -10.395 -12.261 1.00 0.00 C ATOM 540 NH1 ARG A 41 11.358 -9.367 -13.052 1.00 0.00 N ATOM 541 NH2 ARG A 41 11.960 -11.566 -12.795 1.00 0.00 N ATOM 0 H ARG A 41 7.711 -5.234 -12.082 1.00 0.00 H new ATOM 0 HA ARG A 41 7.602 -8.062 -11.495 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.131 -7.079 -11.611 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.725 -6.609 -9.972 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.363 -8.867 -9.292 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.287 -9.443 -10.945 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.806 -8.180 -10.735 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.614 -9.049 -9.225 1.00 0.00 H new ATOM 0 HE ARG A 41 11.835 -11.066 -10.362 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.113 -8.464 -12.646 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.384 -9.481 -14.065 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.179 -12.359 -12.192 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.985 -11.674 -13.809 1.00 0.00 H new ATOM 555 N LEU A 42 6.176 -5.796 -10.310 1.00 0.00 N ATOM 556 CA LEU A 42 5.325 -5.229 -9.272 1.00 0.00 C ATOM 557 C LEU A 42 3.849 -5.436 -9.600 1.00 0.00 C ATOM 558 O LEU A 42 3.314 -4.824 -10.524 1.00 0.00 O ATOM 559 CB LEU A 42 5.617 -3.737 -9.093 1.00 0.00 C ATOM 560 CG LEU A 42 5.013 -3.104 -7.839 1.00 0.00 C ATOM 561 CD1 LEU A 42 6.011 -3.131 -6.692 1.00 0.00 C ATOM 562 CD2 LEU A 42 4.561 -1.681 -8.123 1.00 0.00 C ATOM 0 H LEU A 42 5.906 -5.546 -11.261 1.00 0.00 H new ATOM 0 HA LEU A 42 5.547 -5.747 -8.339 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.697 -3.594 -9.069 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.244 -3.202 -9.967 1.00 0.00 H new ATOM 0 HG LEU A 42 4.140 -3.688 -7.547 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.563 -2.676 -5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.283 -4.163 -6.470 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.904 -2.573 -6.974 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.134 -1.248 -7.219 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.416 -1.085 -8.443 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.809 -1.689 -8.912 1.00 0.00 H new ATOM 574 N LYS A 43 3.197 -6.300 -8.829 1.00 0.00 N ATOM 575 CA LYS A 43 1.779 -6.593 -9.022 1.00 0.00 C ATOM 576 C LYS A 43 0.971 -6.099 -7.829 1.00 0.00 C ATOM 577 O LYS A 43 0.841 -6.799 -6.823 1.00 0.00 O ATOM 578 CB LYS A 43 1.561 -8.096 -9.211 1.00 0.00 C ATOM 579 CG LYS A 43 2.619 -8.771 -10.071 1.00 0.00 C ATOM 580 CD LYS A 43 2.298 -8.651 -11.551 1.00 0.00 C ATOM 581 CE LYS A 43 3.202 -7.641 -12.238 1.00 0.00 C ATOM 582 NZ LYS A 43 4.628 -8.073 -12.230 1.00 0.00 N ATOM 0 H LYS A 43 3.630 -6.813 -8.061 1.00 0.00 H new ATOM 0 HA LYS A 43 1.441 -6.075 -9.920 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.542 -8.576 -8.233 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.583 -8.257 -9.664 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.592 -8.321 -9.872 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.693 -9.824 -9.798 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.410 -9.624 -12.028 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.257 -8.353 -11.675 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.872 -7.500 -13.267 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.113 -6.676 -11.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.138 -7.601 -13.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.063 -7.816 -11.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.679 -9.104 -12.359 1.00 0.00 H new ATOM 596 N LEU A 44 0.442 -4.885 -7.935 1.00 0.00 N ATOM 597 CA LEU A 44 -0.338 -4.299 -6.855 1.00 0.00 C ATOM 598 C LEU A 44 -1.833 -4.524 -7.055 1.00 0.00 C ATOM 599 O LEU A 44 -2.286 -4.824 -8.159 1.00 0.00 O ATOM 600 CB LEU A 44 -0.038 -2.806 -6.741 1.00 0.00 C ATOM 601 CG LEU A 44 1.092 -2.456 -5.775 1.00 0.00 C ATOM 602 CD1 LEU A 44 1.802 -1.187 -6.218 1.00 0.00 C ATOM 603 CD2 LEU A 44 0.552 -2.308 -4.363 1.00 0.00 C ATOM 0 H LEU A 44 0.540 -4.289 -8.757 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.050 -4.795 -5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.215 -2.423 -7.730 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.944 -2.290 -6.422 1.00 0.00 H new ATOM 0 HG LEU A 44 1.818 -3.269 -5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.603 -0.955 -5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.222 -1.333 -7.213 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.091 -0.362 -6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.369 -2.059 -3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.194 -1.514 -4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.093 -3.246 -4.049 1.00 0.00 H new ATOM 615 N CYS A 45 -2.594 -4.381 -5.971 1.00 0.00 N ATOM 616 CA CYS A 45 -4.040 -4.574 -6.020 1.00 0.00 C ATOM 617 C CYS A 45 -4.771 -3.476 -5.252 1.00 0.00 C ATOM 618 O CYS A 45 -4.150 -2.676 -4.551 1.00 0.00 O ATOM 619 CB CYS A 45 -4.405 -5.940 -5.440 1.00 0.00 C ATOM 620 SG CYS A 45 -3.836 -7.345 -6.446 1.00 0.00 S ATOM 0 H CYS A 45 -2.233 -4.133 -5.050 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.351 -4.526 -7.064 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.978 -6.025 -4.441 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.488 -5.999 -5.330 1.00 0.00 H new ATOM 0 HG CYS A 45 -3.291 -8.239 -5.675 1.00 0.00 H new ATOM 625 N VAL A 46 -6.095 -3.447 -5.385 1.00 0.00 N ATOM 626 CA VAL A 46 -6.911 -2.450 -4.697 1.00 0.00 C ATOM 627 C VAL A 46 -8.197 -3.069 -4.154 1.00 0.00 C ATOM 628 O VAL A 46 -8.466 -4.251 -4.365 1.00 0.00 O ATOM 629 CB VAL A 46 -7.268 -1.271 -5.627 1.00 0.00 C ATOM 630 CG1 VAL A 46 -6.006 -0.628 -6.181 1.00 0.00 C ATOM 631 CG2 VAL A 46 -8.186 -1.722 -6.756 1.00 0.00 C ATOM 0 H VAL A 46 -6.625 -4.101 -5.962 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.315 -2.075 -3.865 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.804 -0.526 -5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.277 0.201 -6.835 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.395 -0.257 -5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.440 -1.367 -6.748 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.421 -0.871 -7.396 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.687 -2.492 -7.345 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.107 -2.126 -6.336 1.00 0.00 H new ATOM 641 N SER A 47 -8.988 -2.261 -3.454 1.00 0.00 N ATOM 642 CA SER A 47 -10.246 -2.730 -2.882 1.00 0.00 C ATOM 643 C SER A 47 -11.181 -3.245 -3.972 1.00 0.00 C ATOM 644 O SER A 47 -10.822 -3.271 -5.149 1.00 0.00 O ATOM 645 CB SER A 47 -10.926 -1.604 -2.100 1.00 0.00 C ATOM 646 OG SER A 47 -12.063 -2.083 -1.403 1.00 0.00 O ATOM 0 H SER A 47 -8.780 -1.280 -3.269 1.00 0.00 H new ATOM 0 HA SER A 47 -10.023 -3.552 -2.202 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.219 -1.169 -1.394 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.223 -0.809 -2.784 1.00 0.00 H new ATOM 0 HG SER A 47 -12.479 -1.345 -0.910 1.00 0.00 H new ATOM 652 N ASP A 48 -12.382 -3.651 -3.571 1.00 0.00 N ATOM 653 CA ASP A 48 -13.370 -4.162 -4.513 1.00 0.00 C ATOM 654 C ASP A 48 -13.865 -3.054 -5.436 1.00 0.00 C ATOM 655 O ASP A 48 -13.424 -1.909 -5.340 1.00 0.00 O ATOM 656 CB ASP A 48 -14.549 -4.785 -3.764 1.00 0.00 C ATOM 657 CG ASP A 48 -15.147 -3.838 -2.741 1.00 0.00 C ATOM 658 OD1 ASP A 48 -14.472 -3.556 -1.729 1.00 0.00 O ATOM 659 OD2 ASP A 48 -16.291 -3.382 -2.951 1.00 0.00 O ATOM 0 H ASP A 48 -12.694 -3.636 -2.600 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.891 -4.930 -5.121 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -15.318 -5.076 -4.479 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.218 -5.695 -3.264 1.00 0.00 H new ATOM 664 N ARG A 49 -14.785 -3.400 -6.330 1.00 0.00 N ATOM 665 CA ARG A 49 -15.340 -2.432 -7.270 1.00 0.00 C ATOM 666 C ARG A 49 -16.230 -1.423 -6.552 1.00 0.00 C ATOM 667 O ARG A 49 -17.392 -1.702 -6.259 1.00 0.00 O ATOM 668 CB ARG A 49 -16.137 -3.146 -8.363 1.00 0.00 C ATOM 669 CG ARG A 49 -15.965 -2.529 -9.742 1.00 0.00 C ATOM 670 CD ARG A 49 -17.275 -2.513 -10.514 1.00 0.00 C ATOM 671 NE ARG A 49 -17.441 -1.282 -11.286 1.00 0.00 N ATOM 672 CZ ARG A 49 -17.838 -0.126 -10.759 1.00 0.00 C ATOM 673 NH1 ARG A 49 -18.112 -0.038 -9.463 1.00 0.00 N ATOM 674 NH2 ARG A 49 -17.963 0.944 -11.530 1.00 0.00 N ATOM 0 H ARG A 49 -15.162 -4.343 -6.424 1.00 0.00 H new ATOM 0 HA ARG A 49 -14.510 -1.895 -7.729 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -15.830 -4.191 -8.401 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -17.194 -3.133 -8.098 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -15.588 -1.511 -9.642 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -15.218 -3.091 -10.303 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -17.310 -3.370 -11.186 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -18.107 -2.620 -9.818 1.00 0.00 H new ATOM 0 HE ARG A 49 -17.241 -1.311 -12.286 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -18.019 -0.859 -8.865 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -18.416 0.851 -9.065 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.755 0.882 -12.527 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.267 1.830 -11.127 1.00 0.00 H new ATOM 688 N ASP A 50 -15.675 -0.248 -6.272 1.00 0.00 N ATOM 689 CA ASP A 50 -16.417 0.806 -5.588 1.00 0.00 C ATOM 690 C ASP A 50 -15.569 2.066 -5.451 1.00 0.00 C ATOM 691 O ASP A 50 -16.067 3.181 -5.606 1.00 0.00 O ATOM 692 CB ASP A 50 -16.869 0.330 -4.206 1.00 0.00 C ATOM 693 CG ASP A 50 -18.053 1.118 -3.681 1.00 0.00 C ATOM 694 OD1 ASP A 50 -17.884 2.322 -3.396 1.00 0.00 O ATOM 695 OD2 ASP A 50 -19.148 0.532 -3.557 1.00 0.00 O ATOM 0 H ASP A 50 -14.714 -0.001 -6.508 1.00 0.00 H new ATOM 0 HA ASP A 50 -17.296 1.043 -6.187 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.133 -0.726 -4.257 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -16.039 0.417 -3.505 1.00 0.00 H new ATOM 700 N VAL A 51 -14.286 1.882 -5.159 1.00 0.00 N ATOM 701 CA VAL A 51 -13.369 3.004 -5.000 1.00 0.00 C ATOM 702 C VAL A 51 -12.742 3.394 -6.334 1.00 0.00 C ATOM 703 O VAL A 51 -12.453 4.566 -6.574 1.00 0.00 O ATOM 704 CB VAL A 51 -12.249 2.678 -3.995 1.00 0.00 C ATOM 705 CG1 VAL A 51 -12.821 2.487 -2.598 1.00 0.00 C ATOM 706 CG2 VAL A 51 -11.474 1.445 -4.437 1.00 0.00 C ATOM 0 H VAL A 51 -13.858 0.966 -5.028 1.00 0.00 H new ATOM 0 HA VAL A 51 -13.956 3.840 -4.619 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.558 3.520 -3.966 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -12.014 2.257 -1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.323 3.402 -2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.537 1.665 -2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.687 1.231 -3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.151 0.593 -4.499 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.028 1.627 -5.415 1.00 0.00 H new ATOM 716 N LEU A 52 -12.536 2.406 -7.200 1.00 0.00 N ATOM 717 CA LEU A 52 -11.944 2.648 -8.509 1.00 0.00 C ATOM 718 C LEU A 52 -12.951 2.370 -9.623 1.00 0.00 C ATOM 719 O LEU A 52 -13.020 1.258 -10.144 1.00 0.00 O ATOM 720 CB LEU A 52 -10.703 1.775 -8.701 1.00 0.00 C ATOM 721 CG LEU A 52 -9.398 2.376 -8.172 1.00 0.00 C ATOM 722 CD1 LEU A 52 -9.098 1.852 -6.776 1.00 0.00 C ATOM 723 CD2 LEU A 52 -8.247 2.071 -9.119 1.00 0.00 C ATOM 0 H LEU A 52 -12.771 1.430 -7.017 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.654 3.697 -8.559 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.871 0.818 -8.207 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.585 1.568 -9.765 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.515 3.458 -8.114 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.167 2.289 -6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.911 2.124 -6.103 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.001 0.767 -6.808 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.328 2.506 -8.727 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.127 0.991 -9.210 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.460 2.497 -10.100 1.00 0.00 H new ATOM 735 N PRO A 53 -13.749 3.382 -10.003 1.00 0.00 N ATOM 736 CA PRO A 53 -14.756 3.240 -11.060 1.00 0.00 C ATOM 737 C PRO A 53 -14.163 2.672 -12.346 1.00 0.00 C ATOM 738 O PRO A 53 -12.956 2.754 -12.574 1.00 0.00 O ATOM 739 CB PRO A 53 -15.244 4.673 -11.284 1.00 0.00 C ATOM 740 CG PRO A 53 -14.979 5.370 -9.996 1.00 0.00 C ATOM 741 CD PRO A 53 -13.733 4.743 -9.434 1.00 0.00 C ATOM 0 HA PRO A 53 -15.549 2.547 -10.778 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -14.711 5.148 -12.108 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -16.304 4.695 -11.535 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -14.841 6.440 -10.153 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -15.818 5.254 -9.310 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.839 5.292 -9.729 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.749 4.723 -8.344 1.00 0.00 H new ATOM 749 N GLY A 54 -15.020 2.095 -13.182 1.00 0.00 N ATOM 750 CA GLY A 54 -14.561 1.521 -14.434 1.00 0.00 C ATOM 751 C GLY A 54 -13.610 0.358 -14.224 1.00 0.00 C ATOM 752 O GLY A 54 -12.772 0.388 -13.324 1.00 0.00 O ATOM 0 H GLY A 54 -16.023 2.015 -13.015 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -15.421 1.183 -15.012 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.063 2.292 -15.023 1.00 0.00 H new ATOM 756 N THR A 55 -13.743 -0.668 -15.058 1.00 0.00 N ATOM 757 CA THR A 55 -12.890 -1.847 -14.960 1.00 0.00 C ATOM 758 C THR A 55 -11.727 -1.759 -15.944 1.00 0.00 C ATOM 759 O THR A 55 -11.824 -2.228 -17.077 1.00 0.00 O ATOM 760 CB THR A 55 -13.705 -3.114 -15.224 1.00 0.00 C ATOM 761 OG1 THR A 55 -15.023 -2.976 -14.726 1.00 0.00 O ATOM 762 CG2 THR A 55 -13.104 -4.354 -14.598 1.00 0.00 C ATOM 0 H THR A 55 -14.433 -0.707 -15.809 1.00 0.00 H new ATOM 0 HA THR A 55 -12.484 -1.890 -13.949 1.00 0.00 H new ATOM 0 HB THR A 55 -13.704 -3.237 -16.307 1.00 0.00 H new ATOM 0 HG1 THR A 55 -15.528 -3.796 -14.906 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.732 -5.216 -14.824 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.105 -4.517 -15.001 1.00 0.00 H new ATOM 0 HG23 THR A 55 -13.043 -4.223 -13.518 1.00 0.00 H new ATOM 770 N CYS A 56 -10.628 -1.155 -15.501 1.00 0.00 N ATOM 771 CA CYS A 56 -9.447 -1.007 -16.343 1.00 0.00 C ATOM 772 C CYS A 56 -8.196 -0.789 -15.496 1.00 0.00 C ATOM 773 O CYS A 56 -7.266 -0.097 -15.911 1.00 0.00 O ATOM 774 CB CYS A 56 -9.630 0.162 -17.313 1.00 0.00 C ATOM 775 SG CYS A 56 -8.990 -0.151 -18.974 1.00 0.00 S ATOM 0 H CYS A 56 -10.532 -0.761 -14.565 1.00 0.00 H new ATOM 0 HA CYS A 56 -9.321 -1.928 -16.913 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -10.692 0.399 -17.383 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -9.133 1.041 -16.903 1.00 0.00 H new ATOM 0 HG CYS A 56 -9.193 0.893 -19.721 1.00 0.00 H new ATOM 781 N VAL A 57 -8.179 -1.385 -14.308 1.00 0.00 N ATOM 782 CA VAL A 57 -7.043 -1.256 -13.404 1.00 0.00 C ATOM 783 C VAL A 57 -6.833 -2.535 -12.599 1.00 0.00 C ATOM 784 O VAL A 57 -7.608 -3.484 -12.710 1.00 0.00 O ATOM 785 CB VAL A 57 -7.230 -0.079 -12.429 1.00 0.00 C ATOM 786 CG1 VAL A 57 -7.144 1.248 -13.169 1.00 0.00 C ATOM 787 CG2 VAL A 57 -8.554 -0.202 -11.692 1.00 0.00 C ATOM 0 H VAL A 57 -8.940 -1.962 -13.949 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.167 -1.070 -14.025 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.427 -0.110 -11.693 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.279 2.068 -12.463 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.168 1.336 -13.646 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.924 1.292 -13.929 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.669 0.638 -11.007 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.373 -0.198 -12.412 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.571 -1.134 -11.128 1.00 0.00 H new ATOM 797 N TRP A 58 -5.778 -2.552 -11.790 1.00 0.00 N ATOM 798 CA TRP A 58 -5.467 -3.714 -10.966 1.00 0.00 C ATOM 799 C TRP A 58 -6.307 -3.712 -9.692 1.00 0.00 C ATOM 800 O TRP A 58 -6.182 -2.817 -8.857 1.00 0.00 O ATOM 801 CB TRP A 58 -3.977 -3.729 -10.614 1.00 0.00 C ATOM 802 CG TRP A 58 -3.289 -4.998 -11.009 1.00 0.00 C ATOM 803 CD1 TRP A 58 -3.721 -6.272 -10.776 1.00 0.00 C ATOM 804 CD2 TRP A 58 -2.042 -5.119 -11.704 1.00 0.00 C ATOM 805 NE1 TRP A 58 -2.820 -7.177 -11.283 1.00 0.00 N ATOM 806 CE2 TRP A 58 -1.781 -6.493 -11.858 1.00 0.00 C ATOM 807 CE3 TRP A 58 -1.120 -4.198 -12.210 1.00 0.00 C ATOM 808 CZ2 TRP A 58 -0.639 -6.968 -12.497 1.00 0.00 C ATOM 809 CZ3 TRP A 58 0.013 -4.671 -12.845 1.00 0.00 C ATOM 810 CH2 TRP A 58 0.244 -6.044 -12.984 1.00 0.00 C ATOM 0 H TRP A 58 -5.125 -1.775 -11.688 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.706 -4.612 -11.535 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.486 -2.889 -11.106 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.863 -3.581 -9.540 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.638 -6.531 -10.267 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.910 -8.192 -11.239 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -1.290 -3.136 -12.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.457 -8.027 -12.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 0.732 -3.969 -13.241 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.139 -6.381 -13.486 1.00 0.00 H new ATOM 821 N SER A 59 -7.161 -4.720 -9.550 1.00 0.00 N ATOM 822 CA SER A 59 -8.022 -4.834 -8.378 1.00 0.00 C ATOM 823 C SER A 59 -8.033 -6.263 -7.849 1.00 0.00 C ATOM 824 O SER A 59 -7.637 -7.197 -8.545 1.00 0.00 O ATOM 825 CB SER A 59 -9.444 -4.393 -8.721 1.00 0.00 C ATOM 826 OG SER A 59 -9.921 -5.059 -9.878 1.00 0.00 O ATOM 0 H SER A 59 -7.276 -5.470 -10.232 1.00 0.00 H new ATOM 0 HA SER A 59 -7.625 -4.182 -7.600 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.105 -4.601 -7.880 1.00 0.00 H new ATOM 0 HB3 SER A 59 -9.464 -3.315 -8.884 1.00 0.00 H new ATOM 0 HG SER A 59 -10.833 -4.760 -10.075 1.00 0.00 H new ATOM 832 N ILE A 60 -8.491 -6.429 -6.611 1.00 0.00 N ATOM 833 CA ILE A 60 -8.553 -7.746 -5.991 1.00 0.00 C ATOM 834 C ILE A 60 -9.443 -7.734 -4.751 1.00 0.00 C ATOM 835 O ILE A 60 -9.629 -6.696 -4.116 1.00 0.00 O ATOM 836 CB ILE A 60 -7.144 -8.247 -5.598 1.00 0.00 C ATOM 837 CG1 ILE A 60 -7.075 -9.775 -5.694 1.00 0.00 C ATOM 838 CG2 ILE A 60 -6.771 -7.779 -4.194 1.00 0.00 C ATOM 839 CD1 ILE A 60 -5.903 -10.382 -4.950 1.00 0.00 C ATOM 0 H ILE A 60 -8.824 -5.668 -6.019 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.980 -8.424 -6.730 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.423 -7.822 -6.297 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.000 -10.197 -5.301 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.015 -10.061 -6.744 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.776 -8.144 -3.941 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.777 -6.690 -4.160 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.493 -8.168 -3.477 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.922 -11.466 -5.064 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.971 -9.990 -5.357 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.972 -10.127 -3.892 1.00 0.00 H new ATOM 851 N ALA A 61 -9.973 -8.900 -4.401 1.00 0.00 N ATOM 852 CA ALA A 61 -10.821 -9.025 -3.227 1.00 0.00 C ATOM 853 C ALA A 61 -9.983 -8.895 -1.957 1.00 0.00 C ATOM 854 O ALA A 61 -8.896 -9.464 -1.861 1.00 0.00 O ATOM 855 CB ALA A 61 -11.558 -10.356 -3.250 1.00 0.00 C ATOM 0 H ALA A 61 -9.829 -9.770 -4.914 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.559 -8.223 -3.237 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.190 -10.437 -2.365 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -12.178 -10.413 -4.145 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.835 -11.172 -3.256 1.00 0.00 H new ATOM 861 N SER A 62 -10.486 -8.133 -0.994 1.00 0.00 N ATOM 862 CA SER A 62 -9.772 -7.918 0.262 1.00 0.00 C ATOM 863 C SER A 62 -9.473 -9.234 0.977 1.00 0.00 C ATOM 864 O SER A 62 -8.611 -9.286 1.854 1.00 0.00 O ATOM 865 CB SER A 62 -10.579 -6.999 1.179 1.00 0.00 C ATOM 866 OG SER A 62 -11.604 -7.716 1.845 1.00 0.00 O ATOM 0 H SER A 62 -11.384 -7.653 -1.057 1.00 0.00 H new ATOM 0 HA SER A 62 -8.820 -7.445 0.021 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.917 -6.539 1.913 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.017 -6.190 0.594 1.00 0.00 H new ATOM 0 HG SER A 62 -12.105 -7.107 2.427 1.00 0.00 H new ATOM 872 N GLU A 63 -10.181 -10.296 0.604 1.00 0.00 N ATOM 873 CA GLU A 63 -9.976 -11.600 1.223 1.00 0.00 C ATOM 874 C GLU A 63 -8.807 -12.339 0.575 1.00 0.00 C ATOM 875 O GLU A 63 -8.306 -13.320 1.124 1.00 0.00 O ATOM 876 CB GLU A 63 -11.248 -12.444 1.123 1.00 0.00 C ATOM 877 CG GLU A 63 -11.857 -12.467 -0.270 1.00 0.00 C ATOM 878 CD GLU A 63 -12.676 -13.719 -0.526 1.00 0.00 C ATOM 879 OE1 GLU A 63 -13.592 -14.003 0.272 1.00 0.00 O ATOM 880 OE2 GLU A 63 -12.398 -14.415 -1.526 1.00 0.00 O ATOM 0 H GLU A 63 -10.899 -10.279 -0.121 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.738 -11.438 2.274 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.021 -13.466 1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.986 -12.058 1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.490 -11.590 -0.401 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.061 -12.399 -1.012 1.00 0.00 H new ATOM 887 N LEU A 64 -8.381 -11.869 -0.595 1.00 0.00 N ATOM 888 CA LEU A 64 -7.280 -12.488 -1.308 1.00 0.00 C ATOM 889 C LEU A 64 -5.951 -11.811 -0.981 1.00 0.00 C ATOM 890 O LEU A 64 -4.896 -12.251 -1.436 1.00 0.00 O ATOM 891 CB LEU A 64 -7.533 -12.417 -2.811 1.00 0.00 C ATOM 892 CG LEU A 64 -8.999 -12.509 -3.235 1.00 0.00 C ATOM 893 CD1 LEU A 64 -9.114 -12.580 -4.750 1.00 0.00 C ATOM 894 CD2 LEU A 64 -9.663 -13.716 -2.592 1.00 0.00 C ATOM 0 H LEU A 64 -8.786 -11.060 -1.065 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.218 -13.529 -0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.122 -11.480 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.982 -13.224 -3.293 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.513 -11.610 -2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.165 -12.645 -5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.675 -11.685 -5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.585 -13.461 -5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.706 -13.767 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.147 -14.624 -2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.613 -13.624 -1.507 1.00 0.00 H new ATOM 906 N ILE A 65 -6.005 -10.737 -0.199 1.00 0.00 N ATOM 907 CA ILE A 65 -4.800 -10.007 0.169 1.00 0.00 C ATOM 908 C ILE A 65 -3.908 -10.834 1.088 1.00 0.00 C ATOM 909 O ILE A 65 -2.800 -11.220 0.713 1.00 0.00 O ATOM 910 CB ILE A 65 -5.138 -8.674 0.865 1.00 0.00 C ATOM 911 CG1 ILE A 65 -6.180 -7.897 0.058 1.00 0.00 C ATOM 912 CG2 ILE A 65 -3.877 -7.843 1.049 1.00 0.00 C ATOM 913 CD1 ILE A 65 -6.555 -6.568 0.674 1.00 0.00 C ATOM 0 H ILE A 65 -6.867 -10.355 0.190 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.266 -9.800 -0.758 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.558 -8.891 1.847 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.795 -7.726 -0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.078 -8.507 -0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.129 -6.904 1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.164 -8.394 1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.433 -7.634 0.075 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.298 -6.073 0.048 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.970 -6.732 1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.668 -5.939 0.750 1.00 0.00 H new ATOM 925 N GLU A 66 -4.393 -11.097 2.296 1.00 0.00 N ATOM 926 CA GLU A 66 -3.644 -11.871 3.274 1.00 0.00 C ATOM 927 C GLU A 66 -3.305 -13.263 2.749 1.00 0.00 C ATOM 928 O GLU A 66 -2.364 -13.901 3.222 1.00 0.00 O ATOM 929 CB GLU A 66 -4.449 -11.985 4.567 1.00 0.00 C ATOM 930 CG GLU A 66 -5.866 -12.496 4.361 1.00 0.00 C ATOM 931 CD GLU A 66 -6.881 -11.761 5.214 1.00 0.00 C ATOM 932 OE1 GLU A 66 -6.841 -11.918 6.451 1.00 0.00 O ATOM 933 OE2 GLU A 66 -7.717 -11.029 4.644 1.00 0.00 O ATOM 0 H GLU A 66 -5.307 -10.783 2.621 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.706 -11.351 3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.927 -12.653 5.252 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.491 -11.007 5.046 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.137 -12.392 3.310 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.902 -13.560 4.596 1.00 0.00 H new ATOM 940 N LYS A 67 -4.079 -13.736 1.774 1.00 0.00 N ATOM 941 CA LYS A 67 -3.856 -15.057 1.198 1.00 0.00 C ATOM 942 C LYS A 67 -2.906 -14.992 0.006 1.00 0.00 C ATOM 943 O LYS A 67 -2.009 -15.824 -0.131 1.00 0.00 O ATOM 944 CB LYS A 67 -5.187 -15.677 0.769 1.00 0.00 C ATOM 945 CG LYS A 67 -6.218 -15.734 1.885 1.00 0.00 C ATOM 946 CD LYS A 67 -7.083 -16.979 1.781 1.00 0.00 C ATOM 947 CE LYS A 67 -8.142 -16.831 0.700 1.00 0.00 C ATOM 948 NZ LYS A 67 -9.461 -16.427 1.263 1.00 0.00 N ATOM 0 H LYS A 67 -4.863 -13.225 1.369 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.396 -15.681 1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.595 -15.102 -0.063 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.006 -16.687 0.400 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.712 -15.721 2.850 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.849 -14.846 1.844 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.455 -17.843 1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.564 -17.170 2.740 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.816 -16.088 -0.028 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.249 -17.775 0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.154 -16.337 0.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.785 -17.148 1.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.365 -15.513 1.751 1.00 0.00 H new ATOM 962 N ARG A 68 -3.110 -14.004 -0.858 1.00 0.00 N ATOM 963 CA ARG A 68 -2.273 -13.840 -2.042 1.00 0.00 C ATOM 964 C ARG A 68 -1.251 -12.725 -1.845 1.00 0.00 C ATOM 965 O ARG A 68 -0.044 -12.967 -1.870 1.00 0.00 O ATOM 966 CB ARG A 68 -3.141 -13.542 -3.267 1.00 0.00 C ATOM 967 CG ARG A 68 -4.338 -14.470 -3.405 1.00 0.00 C ATOM 968 CD ARG A 68 -4.934 -14.406 -4.803 1.00 0.00 C ATOM 969 NE ARG A 68 -5.299 -15.729 -5.304 1.00 0.00 N ATOM 970 CZ ARG A 68 -6.248 -16.491 -4.765 1.00 0.00 C ATOM 971 NH1 ARG A 68 -6.927 -16.069 -3.707 1.00 0.00 N ATOM 972 NH2 ARG A 68 -6.517 -17.681 -5.287 1.00 0.00 N ATOM 0 H ARG A 68 -3.847 -13.305 -0.762 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.733 -14.773 -2.203 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.495 -12.513 -3.210 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.527 -13.619 -4.164 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.034 -15.493 -3.184 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.097 -14.198 -2.672 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.817 -13.767 -4.792 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.216 -13.947 -5.482 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.797 -16.090 -6.115 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.723 -15.156 -3.301 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.653 -16.658 -3.299 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.997 -18.011 -6.100 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.244 -18.266 -4.875 1.00 0.00 H new ATOM 986 N CYS A 69 -1.739 -11.504 -1.652 1.00 0.00 N ATOM 987 CA CYS A 69 -0.862 -10.352 -1.454 1.00 0.00 C ATOM 988 C CYS A 69 0.085 -10.582 -0.281 1.00 0.00 C ATOM 989 O CYS A 69 -0.338 -10.989 0.801 1.00 0.00 O ATOM 990 CB CYS A 69 -1.691 -9.089 -1.216 1.00 0.00 C ATOM 991 SG CYS A 69 -2.739 -8.619 -2.614 1.00 0.00 S ATOM 0 H CYS A 69 -2.735 -11.285 -1.628 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.266 -10.222 -2.357 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.320 -9.240 -0.339 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.018 -8.263 -0.987 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.802 -8.013 -2.175 1.00 0.00 H new ATOM 997 N ARG A 70 1.369 -10.322 -0.504 1.00 0.00 N ATOM 998 CA ARG A 70 2.377 -10.506 0.533 1.00 0.00 C ATOM 999 C ARG A 70 2.582 -9.226 1.340 1.00 0.00 C ATOM 1000 O ARG A 70 2.737 -9.270 2.559 1.00 0.00 O ATOM 1001 CB ARG A 70 3.702 -10.956 -0.087 1.00 0.00 C ATOM 1002 CG ARG A 70 4.252 -12.236 0.519 1.00 0.00 C ATOM 1003 CD ARG A 70 5.767 -12.191 0.641 1.00 0.00 C ATOM 1004 NE ARG A 70 6.263 -13.105 1.667 1.00 0.00 N ATOM 1005 CZ ARG A 70 7.540 -13.460 1.790 1.00 0.00 C ATOM 1006 NH1 ARG A 70 8.452 -12.980 0.956 1.00 0.00 N ATOM 1007 NH2 ARG A 70 7.905 -14.298 2.750 1.00 0.00 N ATOM 0 H ARG A 70 1.736 -9.983 -1.393 1.00 0.00 H new ATOM 0 HA ARG A 70 2.021 -11.280 1.212 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.562 -11.102 -1.158 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.438 -10.161 0.033 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.811 -12.392 1.504 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.961 -13.086 -0.098 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.215 -12.447 -0.319 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.081 -11.175 0.879 1.00 0.00 H new ATOM 0 HE ARG A 70 5.591 -13.494 2.328 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.177 -12.335 0.215 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.429 -13.256 1.055 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.207 -14.671 3.394 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.883 -14.570 2.845 1.00 0.00 H new ATOM 1021 N ARG A 71 2.587 -8.087 0.653 1.00 0.00 N ATOM 1022 CA ARG A 71 2.777 -6.798 1.316 1.00 0.00 C ATOM 1023 C ARG A 71 1.606 -5.858 1.048 1.00 0.00 C ATOM 1024 O ARG A 71 0.731 -6.150 0.230 1.00 0.00 O ATOM 1025 CB ARG A 71 4.088 -6.144 0.865 1.00 0.00 C ATOM 1026 CG ARG A 71 4.473 -6.458 -0.572 1.00 0.00 C ATOM 1027 CD ARG A 71 5.444 -7.626 -0.646 1.00 0.00 C ATOM 1028 NE ARG A 71 6.826 -7.203 -0.435 1.00 0.00 N ATOM 1029 CZ ARG A 71 7.838 -8.048 -0.244 1.00 0.00 C ATOM 1030 NH1 ARG A 71 7.627 -9.358 -0.240 1.00 0.00 N ATOM 1031 NH2 ARG A 71 9.064 -7.579 -0.059 1.00 0.00 N ATOM 0 H ARG A 71 2.462 -8.029 -0.358 1.00 0.00 H new ATOM 0 HA ARG A 71 2.826 -6.985 2.389 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.001 -5.063 0.979 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.891 -6.471 1.525 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.577 -6.691 -1.147 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.925 -5.578 -1.029 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.174 -8.370 0.104 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.357 -8.109 -1.620 1.00 0.00 H new ATOM 0 HE ARG A 71 7.028 -6.203 -0.434 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.686 -9.723 -0.384 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.406 -10.000 -0.093 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.231 -6.573 -0.063 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.840 -8.224 0.087 1.00 0.00 H new ATOM 1045 N MET A 72 1.593 -4.729 1.746 1.00 0.00 N ATOM 1046 CA MET A 72 0.526 -3.750 1.588 1.00 0.00 C ATOM 1047 C MET A 72 1.089 -2.338 1.462 1.00 0.00 C ATOM 1048 O MET A 72 2.209 -2.058 1.888 1.00 0.00 O ATOM 1049 CB MET A 72 -0.438 -3.824 2.774 1.00 0.00 C ATOM 1050 CG MET A 72 -1.774 -4.466 2.433 1.00 0.00 C ATOM 1051 SD MET A 72 -2.489 -5.365 3.823 1.00 0.00 S ATOM 1052 CE MET A 72 -2.030 -7.046 3.410 1.00 0.00 C ATOM 0 H MET A 72 2.308 -4.469 2.426 1.00 0.00 H new ATOM 0 HA MET A 72 -0.014 -3.985 0.671 1.00 0.00 H new ATOM 0 HB2 MET A 72 0.032 -4.389 3.579 1.00 0.00 H new ATOM 0 HB3 MET A 72 -0.614 -2.817 3.152 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.471 -3.694 2.108 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.641 -5.149 1.594 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.886 -7.704 3.559 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.714 -7.091 2.368 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.210 -7.367 4.052 1.00 0.00 H new ATOM 1062 N VAL A 73 0.295 -1.450 0.878 1.00 0.00 N ATOM 1063 CA VAL A 73 0.696 -0.065 0.699 1.00 0.00 C ATOM 1064 C VAL A 73 -0.440 0.862 1.105 1.00 0.00 C ATOM 1065 O VAL A 73 -1.344 1.138 0.315 1.00 0.00 O ATOM 1066 CB VAL A 73 1.094 0.223 -0.762 1.00 0.00 C ATOM 1067 CG1 VAL A 73 1.594 1.653 -0.915 1.00 0.00 C ATOM 1068 CG2 VAL A 73 2.148 -0.770 -1.232 1.00 0.00 C ATOM 0 H VAL A 73 -0.635 -1.668 0.519 1.00 0.00 H new ATOM 0 HA VAL A 73 1.565 0.113 1.333 1.00 0.00 H new ATOM 0 HB VAL A 73 0.209 0.107 -1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.869 1.833 -1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.806 2.347 -0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.465 1.804 -0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.418 -0.552 -2.265 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.033 -0.687 -0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.749 -1.782 -1.167 1.00 0.00 H new ATOM 1078 N VAL A 74 -0.394 1.330 2.345 1.00 0.00 N ATOM 1079 CA VAL A 74 -1.426 2.213 2.862 1.00 0.00 C ATOM 1080 C VAL A 74 -1.089 3.672 2.602 1.00 0.00 C ATOM 1081 O VAL A 74 0.073 4.072 2.652 1.00 0.00 O ATOM 1082 CB VAL A 74 -1.652 2.009 4.374 1.00 0.00 C ATOM 1083 CG1 VAL A 74 -2.622 0.865 4.621 1.00 0.00 C ATOM 1084 CG2 VAL A 74 -0.336 1.766 5.101 1.00 0.00 C ATOM 0 H VAL A 74 0.348 1.112 3.010 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.343 1.956 2.332 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.089 2.924 4.774 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.768 0.737 5.694 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.578 1.090 4.149 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.216 -0.054 4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.528 1.626 6.165 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.143 0.873 4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.321 2.625 4.961 1.00 0.00 H new ATOM 1094 N VAL A 75 -2.115 4.464 2.326 1.00 0.00 N ATOM 1095 CA VAL A 75 -1.937 5.885 2.061 1.00 0.00 C ATOM 1096 C VAL A 75 -2.655 6.719 3.118 1.00 0.00 C ATOM 1097 O VAL A 75 -3.846 7.000 2.997 1.00 0.00 O ATOM 1098 CB VAL A 75 -2.455 6.258 0.656 1.00 0.00 C ATOM 1099 CG1 VAL A 75 -2.329 7.757 0.408 1.00 0.00 C ATOM 1100 CG2 VAL A 75 -1.705 5.471 -0.410 1.00 0.00 C ATOM 0 H VAL A 75 -3.083 4.146 2.280 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.869 6.101 2.102 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.512 5.997 0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.701 7.993 -0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.914 8.299 1.151 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.282 8.052 0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.081 5.744 -1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.641 5.701 -0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.855 4.404 -0.247 1.00 0.00 H new ATOM 1110 N VAL A 76 -1.923 7.098 4.161 1.00 0.00 N ATOM 1111 CA VAL A 76 -2.492 7.885 5.252 1.00 0.00 C ATOM 1112 C VAL A 76 -2.599 9.362 4.885 1.00 0.00 C ATOM 1113 O VAL A 76 -1.608 10.091 4.898 1.00 0.00 O ATOM 1114 CB VAL A 76 -1.657 7.740 6.540 1.00 0.00 C ATOM 1115 CG1 VAL A 76 -0.238 8.245 6.325 1.00 0.00 C ATOM 1116 CG2 VAL A 76 -2.326 8.470 7.696 1.00 0.00 C ATOM 0 H VAL A 76 -0.935 6.873 4.275 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.494 7.495 5.429 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.600 6.681 6.794 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.332 8.133 7.247 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.237 7.668 5.532 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.265 9.297 6.041 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.722 8.356 8.596 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.419 9.528 7.453 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.316 8.049 7.868 1.00 0.00 H new ATOM 1126 N SER A 77 -3.813 9.799 4.565 1.00 0.00 N ATOM 1127 CA SER A 77 -4.054 11.190 4.202 1.00 0.00 C ATOM 1128 C SER A 77 -5.218 11.768 5.003 1.00 0.00 C ATOM 1129 O SER A 77 -6.115 11.040 5.428 1.00 0.00 O ATOM 1130 CB SER A 77 -4.341 11.305 2.704 1.00 0.00 C ATOM 1131 OG SER A 77 -3.372 10.603 1.944 1.00 0.00 O ATOM 0 H SER A 77 -4.645 9.209 4.550 1.00 0.00 H new ATOM 0 HA SER A 77 -3.157 11.762 4.437 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.333 10.909 2.489 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.347 12.355 2.411 1.00 0.00 H new ATOM 0 HG SER A 77 -3.785 10.258 1.125 1.00 0.00 H new ATOM 1137 N ASP A 78 -5.195 13.086 5.199 1.00 0.00 N ATOM 1138 CA ASP A 78 -6.239 13.787 5.942 1.00 0.00 C ATOM 1139 C ASP A 78 -7.631 13.227 5.644 1.00 0.00 C ATOM 1140 O ASP A 78 -8.298 12.679 6.522 1.00 0.00 O ATOM 1141 CB ASP A 78 -6.213 15.266 5.566 1.00 0.00 C ATOM 1142 CG ASP A 78 -4.982 15.983 6.078 1.00 0.00 C ATOM 1143 OD1 ASP A 78 -4.834 16.099 7.312 1.00 0.00 O ATOM 1144 OD2 ASP A 78 -4.167 16.432 5.246 1.00 0.00 O ATOM 0 H ASP A 78 -4.455 13.695 4.849 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.040 13.649 7.005 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.257 15.361 4.481 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.103 15.753 5.965 1.00 0.00 H new ATOM 1149 N ASP A 79 -8.058 13.393 4.401 1.00 0.00 N ATOM 1150 CA ASP A 79 -9.371 12.938 3.953 1.00 0.00 C ATOM 1151 C ASP A 79 -9.584 11.442 4.187 1.00 0.00 C ATOM 1152 O ASP A 79 -10.719 10.965 4.162 1.00 0.00 O ATOM 1153 CB ASP A 79 -9.549 13.256 2.471 1.00 0.00 C ATOM 1154 CG ASP A 79 -9.809 14.730 2.222 1.00 0.00 C ATOM 1155 OD1 ASP A 79 -8.993 15.561 2.673 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -10.828 15.051 1.575 1.00 0.00 O ATOM 0 H ASP A 79 -7.506 13.846 3.673 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.116 13.469 4.545 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.655 12.951 1.927 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.379 12.671 2.074 1.00 0.00 H new ATOM 1161 N TYR A 80 -8.504 10.700 4.415 1.00 0.00 N ATOM 1162 CA TYR A 80 -8.613 9.267 4.649 1.00 0.00 C ATOM 1163 C TYR A 80 -8.934 8.998 6.110 1.00 0.00 C ATOM 1164 O TYR A 80 -9.652 8.055 6.441 1.00 0.00 O ATOM 1165 CB TYR A 80 -7.312 8.560 4.258 1.00 0.00 C ATOM 1166 CG TYR A 80 -7.346 7.058 4.449 1.00 0.00 C ATOM 1167 CD1 TYR A 80 -8.543 6.353 4.393 1.00 0.00 C ATOM 1168 CD2 TYR A 80 -6.177 6.344 4.680 1.00 0.00 C ATOM 1169 CE1 TYR A 80 -8.573 4.982 4.564 1.00 0.00 C ATOM 1170 CE2 TYR A 80 -6.200 4.971 4.852 1.00 0.00 C ATOM 1171 CZ TYR A 80 -7.399 4.298 4.793 1.00 0.00 C ATOM 1172 OH TYR A 80 -7.427 2.932 4.962 1.00 0.00 O ATOM 0 H TYR A 80 -7.552 11.065 4.442 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.421 8.875 4.031 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -7.092 8.778 3.213 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -6.494 8.973 4.849 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.465 6.886 4.213 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -5.234 6.869 4.726 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -9.512 4.450 4.518 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.282 4.431 5.032 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.797 2.510 4.159 1.00 0.00 H new ATOM 1182 N LEU A 81 -8.396 9.841 6.978 1.00 0.00 N ATOM 1183 CA LEU A 81 -8.612 9.716 8.404 1.00 0.00 C ATOM 1184 C LEU A 81 -9.952 10.317 8.808 1.00 0.00 C ATOM 1185 O LEU A 81 -10.570 9.885 9.781 1.00 0.00 O ATOM 1186 CB LEU A 81 -7.473 10.396 9.146 1.00 0.00 C ATOM 1187 CG LEU A 81 -6.101 9.795 8.874 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -4.991 10.804 9.128 1.00 0.00 C ATOM 1189 CD2 LEU A 81 -5.905 8.569 9.732 1.00 0.00 C ATOM 0 H LEU A 81 -7.801 10.626 6.712 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.633 8.659 8.668 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.455 11.451 8.872 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.672 10.348 10.217 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.053 9.512 7.822 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.025 10.342 8.924 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.126 11.666 8.474 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.025 11.129 10.168 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.922 8.141 9.535 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.976 8.846 10.784 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.675 7.834 9.497 1.00 0.00 H new ATOM 1201 N GLN A 82 -10.403 11.307 8.047 1.00 0.00 N ATOM 1202 CA GLN A 82 -11.675 11.956 8.315 1.00 0.00 C ATOM 1203 C GLN A 82 -12.832 10.989 8.076 1.00 0.00 C ATOM 1204 O GLN A 82 -13.965 11.253 8.474 1.00 0.00 O ATOM 1205 CB GLN A 82 -11.833 13.184 7.423 1.00 0.00 C ATOM 1206 CG GLN A 82 -10.923 14.335 7.809 1.00 0.00 C ATOM 1207 CD GLN A 82 -11.365 15.656 7.212 1.00 0.00 C ATOM 1208 OE1 GLN A 82 -11.898 15.702 6.102 1.00 0.00 O ATOM 1209 NE2 GLN A 82 -11.145 16.741 7.944 1.00 0.00 N ATOM 0 H GLN A 82 -9.903 11.677 7.238 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.691 12.267 9.360 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -11.630 12.901 6.390 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -12.869 13.521 7.463 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.896 14.423 8.895 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -9.907 14.115 7.482 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -10.701 16.658 8.858 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.420 17.658 7.592 1.00 0.00 H new ATOM 1218 N SER A 83 -12.536 9.867 7.419 1.00 0.00 N ATOM 1219 CA SER A 83 -13.551 8.867 7.126 1.00 0.00 C ATOM 1220 C SER A 83 -13.452 7.688 8.087 1.00 0.00 C ATOM 1221 O SER A 83 -12.570 7.645 8.946 1.00 0.00 O ATOM 1222 CB SER A 83 -13.409 8.378 5.684 1.00 0.00 C ATOM 1223 OG SER A 83 -14.662 8.370 5.021 1.00 0.00 O ATOM 0 H SER A 83 -11.602 9.632 7.082 1.00 0.00 H new ATOM 0 HA SER A 83 -14.529 9.331 7.253 1.00 0.00 H new ATOM 0 HB2 SER A 83 -12.713 9.022 5.145 1.00 0.00 H new ATOM 0 HB3 SER A 83 -12.984 7.374 5.678 1.00 0.00 H new ATOM 0 HG SER A 83 -14.543 8.055 4.101 1.00 0.00 H new ATOM 1229 N LYS A 84 -14.355 6.728 7.927 1.00 0.00 N ATOM 1230 CA LYS A 84 -14.365 5.537 8.771 1.00 0.00 C ATOM 1231 C LYS A 84 -13.668 4.375 8.070 1.00 0.00 C ATOM 1232 O LYS A 84 -13.334 3.370 8.698 1.00 0.00 O ATOM 1233 CB LYS A 84 -15.795 5.137 9.164 1.00 0.00 C ATOM 1234 CG LYS A 84 -16.880 5.632 8.215 1.00 0.00 C ATOM 1235 CD LYS A 84 -17.462 6.961 8.677 1.00 0.00 C ATOM 1236 CE LYS A 84 -17.071 8.103 7.750 1.00 0.00 C ATOM 1237 NZ LYS A 84 -17.271 7.751 6.317 1.00 0.00 N ATOM 0 H LYS A 84 -15.090 6.750 7.221 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.820 5.778 9.684 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -15.850 4.050 9.222 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -16.003 5.520 10.163 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -16.465 5.744 7.213 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -17.675 4.889 8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -18.548 6.886 8.722 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -17.115 7.178 9.687 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -17.663 8.986 7.993 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -16.026 8.364 7.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -16.352 7.745 5.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -17.706 6.809 6.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -17.895 8.453 5.871 1.00 0.00 H new ATOM 1251 N GLU A 85 -13.438 4.524 6.767 1.00 0.00 N ATOM 1252 CA GLU A 85 -12.768 3.491 5.990 1.00 0.00 C ATOM 1253 C GLU A 85 -11.362 3.260 6.526 1.00 0.00 C ATOM 1254 O GLU A 85 -10.827 2.153 6.446 1.00 0.00 O ATOM 1255 CB GLU A 85 -12.708 3.888 4.513 1.00 0.00 C ATOM 1256 CG GLU A 85 -14.033 3.723 3.787 1.00 0.00 C ATOM 1257 CD GLU A 85 -13.867 3.138 2.398 1.00 0.00 C ATOM 1258 OE1 GLU A 85 -13.307 2.027 2.284 1.00 0.00 O ATOM 1259 OE2 GLU A 85 -14.295 3.791 1.423 1.00 0.00 O ATOM 0 H GLU A 85 -13.706 5.349 6.231 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.337 2.566 6.080 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.388 4.927 4.437 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.951 3.284 4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.687 3.077 4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.526 4.692 3.713 1.00 0.00 H new ATOM 1266 N CYS A 86 -10.769 4.311 7.086 1.00 0.00 N ATOM 1267 CA CYS A 86 -9.431 4.221 7.649 1.00 0.00 C ATOM 1268 C CYS A 86 -9.479 3.552 9.013 1.00 0.00 C ATOM 1269 O CYS A 86 -8.554 2.841 9.400 1.00 0.00 O ATOM 1270 CB CYS A 86 -8.804 5.611 7.774 1.00 0.00 C ATOM 1271 SG CYS A 86 -7.114 5.600 8.418 1.00 0.00 S ATOM 0 H CYS A 86 -11.197 5.234 7.161 1.00 0.00 H new ATOM 0 HA CYS A 86 -8.817 3.620 6.978 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -8.805 6.088 6.794 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -9.427 6.222 8.427 1.00 0.00 H new ATOM 0 HG CYS A 86 -6.999 4.671 9.320 1.00 0.00 H new ATOM 1277 N ASP A 87 -10.569 3.779 9.740 1.00 0.00 N ATOM 1278 CA ASP A 87 -10.737 3.190 11.060 1.00 0.00 C ATOM 1279 C ASP A 87 -10.734 1.672 10.963 1.00 0.00 C ATOM 1280 O ASP A 87 -10.165 0.985 11.810 1.00 0.00 O ATOM 1281 CB ASP A 87 -12.038 3.676 11.703 1.00 0.00 C ATOM 1282 CG ASP A 87 -12.102 3.363 13.184 1.00 0.00 C ATOM 1283 OD1 ASP A 87 -11.395 4.033 13.966 1.00 0.00 O ATOM 1284 OD2 ASP A 87 -12.863 2.447 13.565 1.00 0.00 O ATOM 0 H ASP A 87 -11.346 4.366 9.436 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.903 3.504 11.687 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.132 4.752 11.557 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.885 3.211 11.199 1.00 0.00 H new ATOM 1289 N PHE A 88 -11.361 1.154 9.912 1.00 0.00 N ATOM 1290 CA PHE A 88 -11.415 -0.284 9.693 1.00 0.00 C ATOM 1291 C PHE A 88 -10.061 -0.783 9.208 1.00 0.00 C ATOM 1292 O PHE A 88 -9.574 -1.830 9.641 1.00 0.00 O ATOM 1293 CB PHE A 88 -12.500 -0.629 8.672 1.00 0.00 C ATOM 1294 CG PHE A 88 -12.763 -2.103 8.549 1.00 0.00 C ATOM 1295 CD1 PHE A 88 -11.971 -2.893 7.732 1.00 0.00 C ATOM 1296 CD2 PHE A 88 -13.801 -2.694 9.250 1.00 0.00 C ATOM 1297 CE1 PHE A 88 -12.211 -4.249 7.616 1.00 0.00 C ATOM 1298 CE2 PHE A 88 -14.045 -4.050 9.138 1.00 0.00 C ATOM 1299 CZ PHE A 88 -13.250 -4.829 8.320 1.00 0.00 C ATOM 0 H PHE A 88 -11.837 1.709 9.201 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.660 -0.774 10.635 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -13.425 -0.126 8.953 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.208 -0.238 7.697 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -11.158 -2.445 7.180 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -14.426 -2.089 9.891 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.587 -4.855 6.976 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -14.857 -4.500 9.690 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.440 -5.888 8.231 1.00 0.00 H new ATOM 1309 N GLN A 89 -9.450 -0.012 8.313 1.00 0.00 N ATOM 1310 CA GLN A 89 -8.145 -0.355 7.771 1.00 0.00 C ATOM 1311 C GLN A 89 -7.101 -0.356 8.879 1.00 0.00 C ATOM 1312 O GLN A 89 -6.188 -1.177 8.881 1.00 0.00 O ATOM 1313 CB GLN A 89 -7.747 0.638 6.676 1.00 0.00 C ATOM 1314 CG GLN A 89 -6.803 0.054 5.638 1.00 0.00 C ATOM 1315 CD GLN A 89 -5.343 0.244 6.004 1.00 0.00 C ATOM 1316 OE1 GLN A 89 -4.566 -0.711 6.020 1.00 0.00 O ATOM 1317 NE2 GLN A 89 -4.963 1.483 6.300 1.00 0.00 N ATOM 0 H GLN A 89 -9.842 0.857 7.949 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.200 -1.353 7.336 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.648 0.995 6.176 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.274 1.505 7.138 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.009 -1.010 5.523 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.996 0.522 4.673 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -5.641 2.244 6.274 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.993 1.672 6.553 1.00 0.00 H new ATOM 1326 N THR A 90 -7.255 0.566 9.824 1.00 0.00 N ATOM 1327 CA THR A 90 -6.338 0.673 10.949 1.00 0.00 C ATOM 1328 C THR A 90 -6.431 -0.547 11.837 1.00 0.00 C ATOM 1329 O THR A 90 -5.482 -1.308 11.935 1.00 0.00 O ATOM 1330 CB THR A 90 -6.635 1.938 11.756 1.00 0.00 C ATOM 1331 OG1 THR A 90 -6.648 3.078 10.917 1.00 0.00 O ATOM 1332 CG2 THR A 90 -5.629 2.192 12.855 1.00 0.00 C ATOM 0 H THR A 90 -8.010 1.252 9.831 1.00 0.00 H new ATOM 0 HA THR A 90 -5.323 0.734 10.557 1.00 0.00 H new ATOM 0 HB THR A 90 -7.613 1.770 12.208 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.540 3.186 10.526 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.896 3.104 13.390 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.628 1.351 13.549 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.636 2.304 12.420 1.00 0.00 H new ATOM 1340 N LYS A 91 -7.573 -0.735 12.480 1.00 0.00 N ATOM 1341 CA LYS A 91 -7.760 -1.878 13.369 1.00 0.00 C ATOM 1342 C LYS A 91 -7.305 -3.173 12.711 1.00 0.00 C ATOM 1343 O LYS A 91 -6.881 -4.108 13.390 1.00 0.00 O ATOM 1344 CB LYS A 91 -9.222 -1.990 13.805 1.00 0.00 C ATOM 1345 CG LYS A 91 -9.522 -1.276 15.114 1.00 0.00 C ATOM 1346 CD LYS A 91 -9.771 0.208 14.894 1.00 0.00 C ATOM 1347 CE LYS A 91 -9.116 1.050 15.976 1.00 0.00 C ATOM 1348 NZ LYS A 91 -9.953 1.124 17.206 1.00 0.00 N ATOM 0 H LYS A 91 -8.381 -0.117 12.406 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.143 -1.713 14.252 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.859 -1.579 13.022 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.483 -3.043 13.907 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.396 -1.727 15.584 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.687 -1.408 15.802 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.384 0.502 13.919 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.844 0.400 14.882 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.142 0.628 16.225 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.940 2.056 15.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.471 1.707 17.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.873 1.550 16.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.100 0.166 17.584 1.00 0.00 H new ATOM 1362 N PHE A 92 -7.377 -3.220 11.388 1.00 0.00 N ATOM 1363 CA PHE A 92 -6.952 -4.401 10.658 1.00 0.00 C ATOM 1364 C PHE A 92 -5.488 -4.281 10.245 1.00 0.00 C ATOM 1365 O PHE A 92 -4.806 -5.284 10.040 1.00 0.00 O ATOM 1366 CB PHE A 92 -7.834 -4.616 9.426 1.00 0.00 C ATOM 1367 CG PHE A 92 -8.020 -6.061 9.064 1.00 0.00 C ATOM 1368 CD1 PHE A 92 -7.139 -6.693 8.202 1.00 0.00 C ATOM 1369 CD2 PHE A 92 -9.078 -6.789 9.588 1.00 0.00 C ATOM 1370 CE1 PHE A 92 -7.308 -8.023 7.869 1.00 0.00 C ATOM 1371 CE2 PHE A 92 -9.252 -8.119 9.256 1.00 0.00 C ATOM 1372 CZ PHE A 92 -8.367 -8.737 8.396 1.00 0.00 C ATOM 0 H PHE A 92 -7.723 -2.459 10.804 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.056 -5.264 11.316 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.811 -4.167 9.606 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.393 -4.092 8.578 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.310 -6.140 7.785 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -9.773 -6.311 10.263 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.613 -8.504 7.197 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -10.081 -8.675 9.669 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.502 -9.776 8.136 1.00 0.00 H new ATOM 1382 N ALA A 93 -5.012 -3.043 10.131 1.00 0.00 N ATOM 1383 CA ALA A 93 -3.630 -2.789 9.749 1.00 0.00 C ATOM 1384 C ALA A 93 -2.727 -2.674 10.972 1.00 0.00 C ATOM 1385 O ALA A 93 -1.530 -2.955 10.901 1.00 0.00 O ATOM 1386 CB ALA A 93 -3.538 -1.527 8.911 1.00 0.00 C ATOM 0 H ALA A 93 -5.565 -2.202 10.298 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.287 -3.637 9.156 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.499 -1.350 8.633 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -4.140 -1.644 8.010 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.909 -0.680 9.488 1.00 0.00 H new ATOM 1392 N LEU A 94 -3.303 -2.257 12.095 1.00 0.00 N ATOM 1393 CA LEU A 94 -2.555 -2.105 13.327 1.00 0.00 C ATOM 1394 C LEU A 94 -2.457 -3.434 14.044 1.00 0.00 C ATOM 1395 O LEU A 94 -1.391 -3.848 14.498 1.00 0.00 O ATOM 1396 CB LEU A 94 -3.239 -1.070 14.215 1.00 0.00 C ATOM 1397 CG LEU A 94 -4.717 -1.319 14.541 1.00 0.00 C ATOM 1398 CD1 LEU A 94 -4.864 -2.262 15.709 1.00 0.00 C ATOM 1399 CD2 LEU A 94 -5.423 -0.001 14.833 1.00 0.00 C ATOM 0 H LEU A 94 -4.292 -2.018 12.172 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.546 -1.763 13.096 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.688 -1.008 15.154 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.155 -0.097 13.731 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.182 -1.783 13.671 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.922 -2.420 15.918 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.395 -3.216 15.468 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.381 -1.832 16.587 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.471 -0.193 15.063 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.948 0.485 15.685 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.356 0.649 13.960 1.00 0.00 H new ATOM 1411 N SER A 95 -3.595 -4.090 14.128 1.00 0.00 N ATOM 1412 CA SER A 95 -3.694 -5.393 14.777 1.00 0.00 C ATOM 1413 C SER A 95 -3.969 -6.485 13.748 1.00 0.00 C ATOM 1414 O SER A 95 -4.951 -7.222 13.852 1.00 0.00 O ATOM 1415 CB SER A 95 -4.799 -5.385 15.838 1.00 0.00 C ATOM 1416 OG SER A 95 -4.415 -4.623 16.969 1.00 0.00 O ATOM 0 H SER A 95 -4.477 -3.743 13.752 1.00 0.00 H new ATOM 0 HA SER A 95 -2.742 -5.601 15.265 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.714 -4.973 15.412 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.022 -6.407 16.143 1.00 0.00 H new ATOM 0 HG SER A 95 -5.138 -4.632 17.631 1.00 0.00 H new ATOM 1422 N LEU A 96 -3.094 -6.582 12.755 1.00 0.00 N ATOM 1423 CA LEU A 96 -3.241 -7.584 11.703 1.00 0.00 C ATOM 1424 C LEU A 96 -2.699 -8.937 12.159 1.00 0.00 C ATOM 1425 O LEU A 96 -3.457 -9.817 12.565 1.00 0.00 O ATOM 1426 CB LEU A 96 -2.537 -7.151 10.404 1.00 0.00 C ATOM 1427 CG LEU A 96 -1.757 -5.836 10.466 1.00 0.00 C ATOM 1428 CD1 LEU A 96 -0.414 -6.036 11.152 1.00 0.00 C ATOM 1429 CD2 LEU A 96 -1.558 -5.279 9.069 1.00 0.00 C ATOM 0 H LEU A 96 -2.276 -5.981 12.655 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.307 -7.679 11.498 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.850 -7.943 10.106 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.288 -7.068 9.618 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.335 -5.121 11.051 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.123 -5.088 11.184 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.575 -6.397 12.168 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.173 -6.767 10.596 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.002 -4.343 9.126 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.000 -5.997 8.467 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.529 -5.096 8.608 1.00 0.00 H new ATOM 1441 N SER A 97 -1.381 -9.092 12.085 1.00 0.00 N ATOM 1442 CA SER A 97 -0.729 -10.334 12.485 1.00 0.00 C ATOM 1443 C SER A 97 0.210 -10.101 13.666 1.00 0.00 C ATOM 1444 O SER A 97 0.400 -8.966 14.105 1.00 0.00 O ATOM 1445 CB SER A 97 0.049 -10.922 11.304 1.00 0.00 C ATOM 1446 OG SER A 97 -0.376 -12.244 11.022 1.00 0.00 O ATOM 0 H SER A 97 -0.742 -8.371 11.751 1.00 0.00 H new ATOM 0 HA SER A 97 -1.499 -11.041 12.795 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.092 -10.295 10.423 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.115 -10.920 11.529 1.00 0.00 H new ATOM 0 HG SER A 97 0.134 -12.597 10.263 1.00 0.00 H new ATOM 1452 N PRO A 98 0.808 -11.179 14.203 1.00 0.00 N ATOM 1453 CA PRO A 98 1.725 -11.092 15.339 1.00 0.00 C ATOM 1454 C PRO A 98 3.145 -10.718 14.924 1.00 0.00 C ATOM 1455 O PRO A 98 4.100 -11.430 15.234 1.00 0.00 O ATOM 1456 CB PRO A 98 1.689 -12.509 15.903 1.00 0.00 C ATOM 1457 CG PRO A 98 1.473 -13.375 14.709 1.00 0.00 C ATOM 1458 CD PRO A 98 0.633 -12.572 13.746 1.00 0.00 C ATOM 0 HA PRO A 98 1.433 -10.317 16.047 1.00 0.00 H new ATOM 0 HB2 PRO A 98 2.620 -12.758 16.412 1.00 0.00 H new ATOM 0 HB3 PRO A 98 0.886 -12.627 16.631 1.00 0.00 H new ATOM 0 HG2 PRO A 98 2.424 -13.655 14.255 1.00 0.00 H new ATOM 0 HG3 PRO A 98 0.968 -14.300 14.987 1.00 0.00 H new ATOM 0 HD2 PRO A 98 0.970 -12.701 12.717 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -0.413 -12.875 13.779 1.00 0.00 H new ATOM 1466 N GLY A 99 3.279 -9.596 14.223 1.00 0.00 N ATOM 1467 CA GLY A 99 4.591 -9.152 13.785 1.00 0.00 C ATOM 1468 C GLY A 99 4.598 -8.663 12.350 1.00 0.00 C ATOM 1469 O GLY A 99 5.470 -9.033 11.565 1.00 0.00 O ATOM 0 H GLY A 99 2.506 -8.988 13.951 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.935 -8.350 14.439 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.300 -9.973 13.887 1.00 0.00 H new ATOM 1473 N ALA A 100 3.626 -7.825 12.009 1.00 0.00 N ATOM 1474 CA ALA A 100 3.524 -7.280 10.661 1.00 0.00 C ATOM 1475 C ALA A 100 2.830 -5.922 10.680 1.00 0.00 C ATOM 1476 O ALA A 100 1.962 -5.644 9.853 1.00 0.00 O ATOM 1477 CB ALA A 100 2.779 -8.246 9.753 1.00 0.00 C ATOM 0 H ALA A 100 2.897 -7.508 12.648 1.00 0.00 H new ATOM 0 HA ALA A 100 4.532 -7.143 10.269 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.711 -7.824 8.750 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.315 -9.194 9.712 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.776 -8.413 10.145 1.00 0.00 H new ATOM 1483 N HIS A 101 3.220 -5.080 11.631 1.00 0.00 N ATOM 1484 CA HIS A 101 2.635 -3.751 11.764 1.00 0.00 C ATOM 1485 C HIS A 101 3.283 -2.768 10.797 1.00 0.00 C ATOM 1486 O HIS A 101 2.622 -1.878 10.265 1.00 0.00 O ATOM 1487 CB HIS A 101 2.789 -3.253 13.200 1.00 0.00 C ATOM 1488 CG HIS A 101 1.938 -3.996 14.185 1.00 0.00 C ATOM 1489 ND1 HIS A 101 1.341 -5.206 13.901 1.00 0.00 N ATOM 1490 CD2 HIS A 101 1.588 -3.695 15.458 1.00 0.00 C ATOM 1491 CE1 HIS A 101 0.659 -5.616 14.954 1.00 0.00 C ATOM 1492 NE2 HIS A 101 0.793 -4.718 15.913 1.00 0.00 N ATOM 0 H HIS A 101 3.939 -5.295 12.322 1.00 0.00 H new ATOM 0 HA HIS A 101 1.575 -3.819 11.519 1.00 0.00 H new ATOM 0 HB2 HIS A 101 3.834 -3.340 13.496 1.00 0.00 H new ATOM 0 HB3 HIS A 101 2.534 -2.194 13.238 1.00 0.00 H new ATOM 0 HD2 HIS A 101 1.880 -2.815 16.012 1.00 0.00 H new ATOM 0 HE1 HIS A 101 0.088 -6.531 15.020 1.00 0.00 H new ATOM 0 HE2 HIS A 101 0.374 -4.775 16.841 1.00 0.00 H new ATOM 1501 N GLN A 102 4.580 -2.938 10.573 1.00 0.00 N ATOM 1502 CA GLN A 102 5.318 -2.067 9.667 1.00 0.00 C ATOM 1503 C GLN A 102 6.360 -2.856 8.882 1.00 0.00 C ATOM 1504 O GLN A 102 7.423 -2.338 8.544 1.00 0.00 O ATOM 1505 CB GLN A 102 5.996 -0.939 10.447 1.00 0.00 C ATOM 1506 CG GLN A 102 6.702 -1.410 11.708 1.00 0.00 C ATOM 1507 CD GLN A 102 7.685 -0.388 12.244 1.00 0.00 C ATOM 1508 OE1 GLN A 102 7.426 0.270 13.251 1.00 0.00 O ATOM 1509 NE2 GLN A 102 8.821 -0.250 11.570 1.00 0.00 N ATOM 0 H GLN A 102 5.142 -3.671 11.006 1.00 0.00 H new ATOM 0 HA GLN A 102 4.608 -1.635 8.962 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.719 -0.444 9.799 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.247 -0.194 10.716 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.959 -1.631 12.475 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.230 -2.340 11.498 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.994 -0.817 10.740 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.521 0.423 11.883 1.00 0.00 H new ATOM 1518 N LYS A 103 6.045 -4.115 8.598 1.00 0.00 N ATOM 1519 CA LYS A 103 6.952 -4.981 7.856 1.00 0.00 C ATOM 1520 C LYS A 103 6.408 -5.280 6.462 1.00 0.00 C ATOM 1521 O LYS A 103 7.152 -5.280 5.480 1.00 0.00 O ATOM 1522 CB LYS A 103 7.171 -6.289 8.619 1.00 0.00 C ATOM 1523 CG LYS A 103 8.383 -6.262 9.535 1.00 0.00 C ATOM 1524 CD LYS A 103 8.036 -5.687 10.898 1.00 0.00 C ATOM 1525 CE LYS A 103 7.287 -6.696 11.754 1.00 0.00 C ATOM 1526 NZ LYS A 103 6.857 -6.112 13.054 1.00 0.00 N ATOM 0 H LYS A 103 5.168 -4.558 8.871 1.00 0.00 H new ATOM 0 HA LYS A 103 7.904 -4.461 7.748 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.283 -6.508 9.212 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.285 -7.103 7.903 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.774 -7.273 9.654 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.173 -5.666 9.078 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.949 -5.382 11.409 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.427 -4.792 10.772 1.00 0.00 H new ATOM 0 HE2 LYS A 103 6.413 -7.055 11.211 1.00 0.00 H new ATOM 0 HE3 LYS A 103 7.925 -7.560 11.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 6.350 -6.832 13.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 7.693 -5.793 13.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 6.227 -5.303 12.880 1.00 0.00 H new ATOM 1540 N ARG A 104 5.107 -5.539 6.384 1.00 0.00 N ATOM 1541 CA ARG A 104 4.466 -5.848 5.111 1.00 0.00 C ATOM 1542 C ARG A 104 3.763 -4.622 4.534 1.00 0.00 C ATOM 1543 O ARG A 104 3.828 -4.368 3.330 1.00 0.00 O ATOM 1544 CB ARG A 104 3.460 -6.986 5.289 1.00 0.00 C ATOM 1545 CG ARG A 104 4.019 -8.180 6.045 1.00 0.00 C ATOM 1546 CD ARG A 104 2.988 -9.291 6.173 1.00 0.00 C ATOM 1547 NE ARG A 104 3.573 -10.609 5.934 1.00 0.00 N ATOM 1548 CZ ARG A 104 4.490 -11.168 6.722 1.00 0.00 C ATOM 1549 NH1 ARG A 104 4.930 -10.527 7.797 1.00 0.00 N ATOM 1550 NH2 ARG A 104 4.966 -12.370 6.433 1.00 0.00 N ATOM 0 H ARG A 104 4.477 -5.541 7.186 1.00 0.00 H new ATOM 0 HA ARG A 104 5.243 -6.158 4.412 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.586 -6.608 5.819 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.119 -7.315 4.307 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.901 -8.558 5.529 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.341 -7.865 7.038 1.00 0.00 H new ATOM 0 HD2 ARG A 104 2.548 -9.265 7.170 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.179 -9.119 5.463 1.00 0.00 H new ATOM 0 HE ARG A 104 3.261 -11.131 5.116 1.00 0.00 H new ATOM 0 HH11 ARG A 104 4.566 -9.601 8.024 1.00 0.00 H new ATOM 0 HH12 ARG A 104 5.632 -10.960 8.397 1.00 0.00 H new ATOM 0 HH21 ARG A 104 4.630 -12.867 5.608 1.00 0.00 H new ATOM 0 HH22 ARG A 104 5.668 -12.799 7.036 1.00 0.00 H new ATOM 1564 N LEU A 105 3.088 -3.868 5.395 1.00 0.00 N ATOM 1565 CA LEU A 105 2.371 -2.674 4.964 1.00 0.00 C ATOM 1566 C LEU A 105 3.183 -1.414 5.237 1.00 0.00 C ATOM 1567 O LEU A 105 3.864 -1.312 6.258 1.00 0.00 O ATOM 1568 CB LEU A 105 1.016 -2.580 5.673 1.00 0.00 C ATOM 1569 CG LEU A 105 0.982 -3.139 7.095 1.00 0.00 C ATOM 1570 CD1 LEU A 105 -0.057 -2.410 7.932 1.00 0.00 C ATOM 1571 CD2 LEU A 105 0.696 -4.632 7.069 1.00 0.00 C ATOM 0 H LEU A 105 3.023 -4.062 6.394 1.00 0.00 H new ATOM 0 HA LEU A 105 2.210 -2.754 3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.713 -1.533 5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.274 -3.109 5.075 1.00 0.00 H new ATOM 0 HG LEU A 105 1.959 -2.982 7.552 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.066 -2.822 8.941 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.190 -1.349 7.976 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.041 -2.535 7.480 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.675 -5.016 8.089 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.269 -4.809 6.594 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.477 -5.142 6.505 1.00 0.00 H new ATOM 1583 N ILE A 106 3.105 -0.453 4.321 1.00 0.00 N ATOM 1584 CA ILE A 106 3.834 0.801 4.469 1.00 0.00 C ATOM 1585 C ILE A 106 2.946 2.007 4.156 1.00 0.00 C ATOM 1586 O ILE A 106 2.331 2.074 3.092 1.00 0.00 O ATOM 1587 CB ILE A 106 5.079 0.850 3.560 1.00 0.00 C ATOM 1588 CG1 ILE A 106 4.742 0.331 2.156 1.00 0.00 C ATOM 1589 CG2 ILE A 106 6.223 0.057 4.181 1.00 0.00 C ATOM 1590 CD1 ILE A 106 4.859 -1.175 2.006 1.00 0.00 C ATOM 0 H ILE A 106 2.546 -0.519 3.471 1.00 0.00 H new ATOM 0 HA ILE A 106 4.152 0.848 5.511 1.00 0.00 H new ATOM 0 HB ILE A 106 5.401 1.887 3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.725 0.632 1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.405 0.810 1.435 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.094 0.102 3.527 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.476 0.483 5.152 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.918 -0.982 4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.604 -1.460 0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.881 -1.484 2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.176 -1.664 2.700 1.00 0.00 H new ATOM 1602 N PRO A 107 2.867 2.979 5.087 1.00 0.00 N ATOM 1603 CA PRO A 107 2.053 4.189 4.910 1.00 0.00 C ATOM 1604 C PRO A 107 2.660 5.164 3.905 1.00 0.00 C ATOM 1605 O PRO A 107 3.878 5.236 3.751 1.00 0.00 O ATOM 1606 CB PRO A 107 2.040 4.811 6.307 1.00 0.00 C ATOM 1607 CG PRO A 107 3.316 4.357 6.923 1.00 0.00 C ATOM 1608 CD PRO A 107 3.559 2.972 6.390 1.00 0.00 C ATOM 0 HA PRO A 107 1.064 3.956 4.516 1.00 0.00 H new ATOM 0 HB2 PRO A 107 1.987 5.899 6.258 1.00 0.00 H new ATOM 0 HB3 PRO A 107 1.178 4.475 6.884 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.136 5.026 6.662 1.00 0.00 H new ATOM 0 HG3 PRO A 107 3.244 4.350 8.011 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.623 2.766 6.278 1.00 0.00 H new ATOM 0 HD3 PRO A 107 3.155 2.209 7.055 1.00 0.00 H new ATOM 1616 N ILE A 108 1.797 5.913 3.228 1.00 0.00 N ATOM 1617 CA ILE A 108 2.229 6.891 2.236 1.00 0.00 C ATOM 1618 C ILE A 108 1.240 8.054 2.169 1.00 0.00 C ATOM 1619 O ILE A 108 0.100 7.934 2.616 1.00 0.00 O ATOM 1620 CB ILE A 108 2.371 6.236 0.842 1.00 0.00 C ATOM 1621 CG1 ILE A 108 3.536 5.247 0.838 1.00 0.00 C ATOM 1622 CG2 ILE A 108 2.570 7.286 -0.246 1.00 0.00 C ATOM 1623 CD1 ILE A 108 3.124 3.828 1.155 1.00 0.00 C ATOM 0 H ILE A 108 0.786 5.861 3.350 1.00 0.00 H new ATOM 0 HA ILE A 108 3.204 7.272 2.539 1.00 0.00 H new ATOM 0 HB ILE A 108 1.447 5.700 0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.016 5.267 -0.140 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.280 5.572 1.565 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.666 6.794 -1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.712 7.958 -0.265 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.474 7.858 -0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 108 4.001 3.181 1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 108 2.671 3.793 2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.402 3.484 0.414 1.00 0.00 H new ATOM 1635 N LYS A 109 1.679 9.179 1.611 1.00 0.00 N ATOM 1636 CA LYS A 109 0.818 10.349 1.496 1.00 0.00 C ATOM 1637 C LYS A 109 1.484 11.451 0.678 1.00 0.00 C ATOM 1638 O LYS A 109 2.699 11.637 0.739 1.00 0.00 O ATOM 1639 CB LYS A 109 0.454 10.878 2.885 1.00 0.00 C ATOM 1640 CG LYS A 109 1.633 11.465 3.648 1.00 0.00 C ATOM 1641 CD LYS A 109 2.268 10.437 4.570 1.00 0.00 C ATOM 1642 CE LYS A 109 1.924 10.704 6.026 1.00 0.00 C ATOM 1643 NZ LYS A 109 2.529 11.972 6.517 1.00 0.00 N ATOM 0 H LYS A 109 2.619 9.304 1.234 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.091 10.044 0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.317 11.642 2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.022 10.067 3.471 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.378 11.832 2.942 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.299 12.322 4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 109 1.928 9.439 4.292 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.350 10.452 4.442 1.00 0.00 H new ATOM 0 HE2 LYS A 109 0.841 10.751 6.140 1.00 0.00 H new ATOM 0 HE3 LYS A 109 2.274 9.874 6.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 1.816 12.516 7.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.330 11.755 7.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.864 12.533 5.708 1.00 0.00 H new ATOM 1657 N TYR A 110 0.674 12.184 -0.079 1.00 0.00 N ATOM 1658 CA TYR A 110 1.179 13.277 -0.902 1.00 0.00 C ATOM 1659 C TYR A 110 1.591 14.462 -0.033 1.00 0.00 C ATOM 1660 O TYR A 110 2.343 15.333 -0.468 1.00 0.00 O ATOM 1661 CB TYR A 110 0.115 13.713 -1.911 1.00 0.00 C ATOM 1662 CG TYR A 110 0.684 14.363 -3.152 1.00 0.00 C ATOM 1663 CD1 TYR A 110 1.093 13.597 -4.236 1.00 0.00 C ATOM 1664 CD2 TYR A 110 0.810 15.745 -3.240 1.00 0.00 C ATOM 1665 CE1 TYR A 110 1.613 14.188 -5.373 1.00 0.00 C ATOM 1666 CE2 TYR A 110 1.328 16.343 -4.374 1.00 0.00 C ATOM 1667 CZ TYR A 110 1.728 15.560 -5.435 1.00 0.00 C ATOM 1668 OH TYR A 110 2.244 16.152 -6.567 1.00 0.00 O ATOM 0 H TYR A 110 -0.334 12.041 -0.140 1.00 0.00 H new ATOM 0 HA TYR A 110 2.057 12.922 -1.441 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -0.473 12.843 -2.204 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.568 14.411 -1.427 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.003 12.522 -4.190 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.498 16.361 -2.409 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.927 13.578 -6.207 1.00 0.00 H new ATOM 0 HE2 TYR A 110 1.419 17.418 -4.428 1.00 0.00 H new ATOM 0 HH TYR A 110 2.257 17.125 -6.451 1.00 0.00 H new ATOM 1678 N LYS A 111 1.094 14.486 1.202 1.00 0.00 N ATOM 1679 CA LYS A 111 1.409 15.558 2.136 1.00 0.00 C ATOM 1680 C LYS A 111 0.951 15.194 3.546 1.00 0.00 C ATOM 1681 O LYS A 111 -0.025 14.463 3.721 1.00 0.00 O ATOM 1682 CB LYS A 111 0.747 16.865 1.693 1.00 0.00 C ATOM 1683 CG LYS A 111 -0.728 16.717 1.364 1.00 0.00 C ATOM 1684 CD LYS A 111 -1.598 16.957 2.588 1.00 0.00 C ATOM 1685 CE LYS A 111 -3.072 16.758 2.274 1.00 0.00 C ATOM 1686 NZ LYS A 111 -3.809 18.050 2.220 1.00 0.00 N ATOM 0 H LYS A 111 0.470 13.772 1.577 1.00 0.00 H new ATOM 0 HA LYS A 111 2.490 15.695 2.144 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.862 17.607 2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.270 17.249 0.817 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -1.000 17.423 0.579 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -0.916 15.717 0.973 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -1.300 16.277 3.386 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -1.437 17.970 2.956 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -3.173 16.243 1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -3.521 16.116 3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -4.810 17.870 2.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -3.735 18.531 3.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -3.398 18.654 1.480 1.00 0.00 H new ATOM 1700 N ALA A 112 1.660 15.704 4.546 1.00 0.00 N ATOM 1701 CA ALA A 112 1.328 15.427 5.938 1.00 0.00 C ATOM 1702 C ALA A 112 -0.102 15.853 6.261 1.00 0.00 C ATOM 1703 O ALA A 112 -0.613 16.824 5.702 1.00 0.00 O ATOM 1704 CB ALA A 112 2.310 16.128 6.864 1.00 0.00 C ATOM 0 H ALA A 112 2.469 16.312 4.419 1.00 0.00 H new ATOM 0 HA ALA A 112 1.401 14.351 6.094 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.050 15.912 7.900 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.320 15.771 6.661 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.265 17.204 6.695 1.00 0.00 H new ATOM 1710 N MET A 113 -0.740 15.117 7.166 1.00 0.00 N ATOM 1711 CA MET A 113 -2.111 15.411 7.568 1.00 0.00 C ATOM 1712 C MET A 113 -2.148 16.470 8.658 1.00 0.00 C ATOM 1713 O MET A 113 -1.425 16.384 9.652 1.00 0.00 O ATOM 1714 CB MET A 113 -2.802 14.139 8.055 1.00 0.00 C ATOM 1715 CG MET A 113 -2.738 12.996 7.058 1.00 0.00 C ATOM 1716 SD MET A 113 -1.461 11.790 7.464 1.00 0.00 S ATOM 1717 CE MET A 113 -1.869 11.428 9.170 1.00 0.00 C ATOM 0 H MET A 113 -0.328 14.311 7.636 1.00 0.00 H new ATOM 0 HA MET A 113 -2.641 15.798 6.698 1.00 0.00 H new ATOM 0 HB2 MET A 113 -2.342 13.821 8.991 1.00 0.00 H new ATOM 0 HB3 MET A 113 -3.846 14.363 8.273 1.00 0.00 H new ATOM 0 HG2 MET A 113 -3.706 12.496 7.022 1.00 0.00 H new ATOM 0 HG3 MET A 113 -2.549 13.398 6.062 1.00 0.00 H new ATOM 0 HE1 MET A 113 -1.059 11.764 9.817 1.00 0.00 H new ATOM 0 HE2 MET A 113 -2.789 11.946 9.442 1.00 0.00 H new ATOM 0 HE3 MET A 113 -2.008 10.354 9.291 1.00 0.00 H new ATOM 1727 N LYS A 114 -3.000 17.468 8.463 1.00 0.00 N ATOM 1728 CA LYS A 114 -3.145 18.550 9.426 1.00 0.00 C ATOM 1729 C LYS A 114 -4.024 18.126 10.601 1.00 0.00 C ATOM 1730 O LYS A 114 -4.227 18.897 11.538 1.00 0.00 O ATOM 1731 CB LYS A 114 -3.741 19.786 8.749 1.00 0.00 C ATOM 1732 CG LYS A 114 -2.696 20.734 8.183 1.00 0.00 C ATOM 1733 CD LYS A 114 -2.276 20.327 6.780 1.00 0.00 C ATOM 1734 CE LYS A 114 -3.216 20.896 5.729 1.00 0.00 C ATOM 1735 NZ LYS A 114 -2.476 21.419 4.548 1.00 0.00 N ATOM 0 H LYS A 114 -3.602 17.550 7.644 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.154 18.794 9.809 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.402 19.466 7.944 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.355 20.325 9.471 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.095 21.748 8.165 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.823 20.747 8.836 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -1.261 20.675 6.588 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.260 19.240 6.705 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -3.912 20.122 5.407 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -3.810 21.697 6.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -3.152 21.798 3.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -1.830 22.175 4.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -1.929 20.649 4.113 1.00 0.00 H new ATOM 1749 N LYS A 115 -4.542 16.897 10.555 1.00 0.00 N ATOM 1750 CA LYS A 115 -5.391 16.398 11.630 1.00 0.00 C ATOM 1751 C LYS A 115 -4.692 15.280 12.409 1.00 0.00 C ATOM 1752 O LYS A 115 -3.466 15.168 12.373 1.00 0.00 O ATOM 1753 CB LYS A 115 -6.753 15.949 11.086 1.00 0.00 C ATOM 1754 CG LYS A 115 -6.673 15.205 9.772 1.00 0.00 C ATOM 1755 CD LYS A 115 -6.175 13.792 9.977 1.00 0.00 C ATOM 1756 CE LYS A 115 -7.156 12.975 10.806 1.00 0.00 C ATOM 1757 NZ LYS A 115 -8.518 12.965 10.203 1.00 0.00 N ATOM 0 H LYS A 115 -4.389 16.238 9.792 1.00 0.00 H new ATOM 0 HA LYS A 115 -5.572 17.214 12.330 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -7.236 15.310 11.825 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.389 16.825 10.958 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -7.656 15.183 9.302 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -6.006 15.734 9.091 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.026 13.313 9.009 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.205 13.814 10.475 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -6.791 11.952 10.896 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -7.208 13.385 11.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -9.057 12.158 10.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -9.009 13.850 10.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -8.439 12.880 9.169 1.00 0.00 H new ATOM 1771 N GLU A 116 -5.463 14.472 13.136 1.00 0.00 N ATOM 1772 CA GLU A 116 -4.901 13.397 13.943 1.00 0.00 C ATOM 1773 C GLU A 116 -4.395 12.244 13.086 1.00 0.00 C ATOM 1774 O GLU A 116 -4.854 12.037 11.965 1.00 0.00 O ATOM 1775 CB GLU A 116 -5.952 12.884 14.929 1.00 0.00 C ATOM 1776 CG GLU A 116 -6.814 13.982 15.535 1.00 0.00 C ATOM 1777 CD GLU A 116 -8.254 13.924 15.060 1.00 0.00 C ATOM 1778 OE1 GLU A 116 -8.470 13.695 13.852 1.00 0.00 O ATOM 1779 OE2 GLU A 116 -9.162 14.108 15.896 1.00 0.00 O ATOM 0 H GLU A 116 -6.479 14.544 13.181 1.00 0.00 H new ATOM 0 HA GLU A 116 -4.049 13.805 14.486 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -6.597 12.169 14.418 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.450 12.344 15.732 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -6.790 13.899 16.622 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -6.390 14.953 15.280 1.00 0.00 H new ATOM 1786 N PHE A 117 -3.450 11.487 13.637 1.00 0.00 N ATOM 1787 CA PHE A 117 -2.878 10.338 12.944 1.00 0.00 C ATOM 1788 C PHE A 117 -3.332 9.041 13.602 1.00 0.00 C ATOM 1789 O PHE A 117 -3.549 8.990 14.812 1.00 0.00 O ATOM 1790 CB PHE A 117 -1.345 10.400 12.933 1.00 0.00 C ATOM 1791 CG PHE A 117 -0.758 11.256 14.021 1.00 0.00 C ATOM 1792 CD1 PHE A 117 -0.537 10.737 15.287 1.00 0.00 C ATOM 1793 CD2 PHE A 117 -0.429 12.580 13.778 1.00 0.00 C ATOM 1794 CE1 PHE A 117 0.001 11.521 16.289 1.00 0.00 C ATOM 1795 CE2 PHE A 117 0.109 13.371 14.775 1.00 0.00 C ATOM 1796 CZ PHE A 117 0.325 12.840 16.032 1.00 0.00 C ATOM 0 H PHE A 117 -3.063 11.651 14.566 1.00 0.00 H new ATOM 0 HA PHE A 117 -3.232 10.365 11.913 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -0.950 9.388 13.028 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -1.014 10.781 11.967 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -0.789 9.707 15.493 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -0.595 12.999 12.797 1.00 0.00 H new ATOM 0 HE1 PHE A 117 0.168 11.104 17.271 1.00 0.00 H new ATOM 0 HE2 PHE A 117 0.360 14.402 14.572 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.747 13.455 16.813 1.00 0.00 H new ATOM 1806 N PRO A 118 -3.482 7.975 12.807 1.00 0.00 N ATOM 1807 CA PRO A 118 -3.911 6.675 13.302 1.00 0.00 C ATOM 1808 C PRO A 118 -2.758 5.839 13.827 1.00 0.00 C ATOM 1809 O PRO A 118 -1.630 5.962 13.351 1.00 0.00 O ATOM 1810 CB PRO A 118 -4.516 6.032 12.060 1.00 0.00 C ATOM 1811 CG PRO A 118 -3.724 6.589 10.926 1.00 0.00 C ATOM 1812 CD PRO A 118 -3.247 7.955 11.353 1.00 0.00 C ATOM 0 HA PRO A 118 -4.596 6.758 14.146 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -4.442 4.945 12.100 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -5.574 6.276 11.962 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -2.879 5.941 10.690 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -4.334 6.657 10.026 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.193 8.102 11.117 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -3.800 8.747 10.848 1.00 0.00 H new ATOM 1820 N SER A 119 -3.053 4.966 14.787 1.00 0.00 N ATOM 1821 CA SER A 119 -2.039 4.075 15.341 1.00 0.00 C ATOM 1822 C SER A 119 -1.668 3.083 14.259 1.00 0.00 C ATOM 1823 O SER A 119 -2.018 1.904 14.316 1.00 0.00 O ATOM 1824 CB SER A 119 -2.566 3.348 16.581 1.00 0.00 C ATOM 1825 OG SER A 119 -2.872 4.263 17.619 1.00 0.00 O ATOM 0 H SER A 119 -3.981 4.857 15.195 1.00 0.00 H new ATOM 0 HA SER A 119 -1.165 4.647 15.654 1.00 0.00 H new ATOM 0 HB2 SER A 119 -3.458 2.778 16.320 1.00 0.00 H new ATOM 0 HB3 SER A 119 -1.821 2.633 16.931 1.00 0.00 H new ATOM 0 HG SER A 119 -3.208 3.773 18.398 1.00 0.00 H new ATOM 1831 N ILE A 120 -1.013 3.606 13.238 1.00 0.00 N ATOM 1832 CA ILE A 120 -0.642 2.832 12.075 1.00 0.00 C ATOM 1833 C ILE A 120 0.678 3.335 11.501 1.00 0.00 C ATOM 1834 O ILE A 120 1.579 2.555 11.192 1.00 0.00 O ATOM 1835 CB ILE A 120 -1.768 2.973 11.029 1.00 0.00 C ATOM 1836 CG1 ILE A 120 -2.925 2.042 11.378 1.00 0.00 C ATOM 1837 CG2 ILE A 120 -1.273 2.720 9.620 1.00 0.00 C ATOM 1838 CD1 ILE A 120 -2.629 0.587 11.116 1.00 0.00 C ATOM 0 H ILE A 120 -0.724 4.583 13.195 1.00 0.00 H new ATOM 0 HA ILE A 120 -0.510 1.785 12.348 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.122 4.004 11.057 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -3.178 2.169 12.431 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -3.803 2.335 10.802 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -2.100 2.830 8.919 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -0.491 3.438 9.375 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -0.872 1.709 9.551 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.496 -0.015 11.387 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -2.406 0.446 10.059 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -1.771 0.277 11.713 1.00 0.00 H new ATOM 1850 N LEU A 121 0.774 4.651 11.370 1.00 0.00 N ATOM 1851 CA LEU A 121 1.972 5.290 10.842 1.00 0.00 C ATOM 1852 C LEU A 121 2.573 6.248 11.869 1.00 0.00 C ATOM 1853 O LEU A 121 3.163 7.267 11.509 1.00 0.00 O ATOM 1854 CB LEU A 121 1.663 6.041 9.537 1.00 0.00 C ATOM 1855 CG LEU A 121 0.367 6.868 9.517 1.00 0.00 C ATOM 1856 CD1 LEU A 121 -0.849 5.974 9.328 1.00 0.00 C ATOM 1857 CD2 LEU A 121 0.232 7.708 10.780 1.00 0.00 C ATOM 0 H LEU A 121 0.030 5.301 11.624 1.00 0.00 H new ATOM 0 HA LEU A 121 2.700 4.508 10.627 1.00 0.00 H new ATOM 0 HB2 LEU A 121 2.498 6.708 9.320 1.00 0.00 H new ATOM 0 HB3 LEU A 121 1.617 5.314 8.726 1.00 0.00 H new ATOM 0 HG LEU A 121 0.420 7.548 8.667 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.752 6.585 9.318 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -0.763 5.438 8.383 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -0.905 5.258 10.148 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -0.694 8.282 10.738 1.00 0.00 H new ATOM 0 HD22 LEU A 121 0.214 7.054 11.652 1.00 0.00 H new ATOM 0 HD23 LEU A 121 1.079 8.390 10.856 1.00 0.00 H new ATOM 1869 N ARG A 122 2.411 5.912 13.147 1.00 0.00 N ATOM 1870 CA ARG A 122 2.925 6.739 14.240 1.00 0.00 C ATOM 1871 C ARG A 122 4.329 7.262 13.944 1.00 0.00 C ATOM 1872 O ARG A 122 4.627 8.433 14.183 1.00 0.00 O ATOM 1873 CB ARG A 122 2.932 5.943 15.547 1.00 0.00 C ATOM 1874 CG ARG A 122 3.510 4.545 15.410 1.00 0.00 C ATOM 1875 CD ARG A 122 3.147 3.673 16.601 1.00 0.00 C ATOM 1876 NE ARG A 122 3.828 2.381 16.562 1.00 0.00 N ATOM 1877 CZ ARG A 122 3.433 1.314 17.253 1.00 0.00 C ATOM 1878 NH1 ARG A 122 2.365 1.382 18.040 1.00 0.00 N ATOM 1879 NH2 ARG A 122 4.106 0.177 17.160 1.00 0.00 N ATOM 0 H ARG A 122 1.926 5.069 13.453 1.00 0.00 H new ATOM 0 HA ARG A 122 2.262 7.598 14.340 1.00 0.00 H new ATOM 0 HB2 ARG A 122 3.507 6.492 16.293 1.00 0.00 H new ATOM 0 HB3 ARG A 122 1.911 5.869 15.922 1.00 0.00 H new ATOM 0 HG2 ARG A 122 3.139 4.085 14.494 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.595 4.606 15.319 1.00 0.00 H new ATOM 0 HD2 ARG A 122 3.408 4.192 17.523 1.00 0.00 H new ATOM 0 HD3 ARG A 122 2.069 3.514 16.619 1.00 0.00 H new ATOM 0 HE ARG A 122 4.654 2.291 15.971 1.00 0.00 H new ATOM 0 HH11 ARG A 122 1.843 2.255 18.117 1.00 0.00 H new ATOM 0 HH12 ARG A 122 2.067 0.561 18.567 1.00 0.00 H new ATOM 0 HH21 ARG A 122 4.928 0.118 16.559 1.00 0.00 H new ATOM 0 HH22 ARG A 122 3.803 -0.640 17.690 1.00 0.00 H new ATOM 1893 N PHE A 123 5.183 6.392 13.422 1.00 0.00 N ATOM 1894 CA PHE A 123 6.553 6.772 13.094 1.00 0.00 C ATOM 1895 C PHE A 123 7.248 5.682 12.285 1.00 0.00 C ATOM 1896 O PHE A 123 8.464 5.513 12.368 1.00 0.00 O ATOM 1897 CB PHE A 123 7.345 7.057 14.371 1.00 0.00 C ATOM 1898 CG PHE A 123 8.642 7.773 14.128 1.00 0.00 C ATOM 1899 CD1 PHE A 123 8.667 8.968 13.427 1.00 0.00 C ATOM 1900 CD2 PHE A 123 9.837 7.252 14.600 1.00 0.00 C ATOM 1901 CE1 PHE A 123 9.859 9.631 13.201 1.00 0.00 C ATOM 1902 CE2 PHE A 123 11.032 7.910 14.377 1.00 0.00 C ATOM 1903 CZ PHE A 123 11.043 9.101 13.676 1.00 0.00 C ATOM 0 H PHE A 123 4.953 5.420 13.216 1.00 0.00 H new ATOM 0 HA PHE A 123 6.513 7.677 12.487 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.730 7.655 15.044 1.00 0.00 H new ATOM 0 HB3 PHE A 123 7.550 6.115 14.879 1.00 0.00 H new ATOM 0 HD1 PHE A 123 7.744 9.386 13.053 1.00 0.00 H new ATOM 0 HD2 PHE A 123 9.834 6.321 15.148 1.00 0.00 H new ATOM 0 HE1 PHE A 123 9.864 10.562 12.654 1.00 0.00 H new ATOM 0 HE2 PHE A 123 11.956 7.494 14.750 1.00 0.00 H new ATOM 0 HZ PHE A 123 11.976 9.616 13.500 1.00 0.00 H new ATOM 1913 N ILE A 124 6.468 4.942 11.505 1.00 0.00 N ATOM 1914 CA ILE A 124 6.999 3.872 10.685 1.00 0.00 C ATOM 1915 C ILE A 124 7.449 4.393 9.322 1.00 0.00 C ATOM 1916 O ILE A 124 7.459 5.601 9.083 1.00 0.00 O ATOM 1917 CB ILE A 124 5.943 2.767 10.502 1.00 0.00 C ATOM 1918 CG1 ILE A 124 4.832 3.226 9.551 1.00 0.00 C ATOM 1919 CG2 ILE A 124 5.360 2.369 11.852 1.00 0.00 C ATOM 1920 CD1 ILE A 124 3.694 2.235 9.420 1.00 0.00 C ATOM 0 H ILE A 124 5.459 5.069 11.427 1.00 0.00 H new ATOM 0 HA ILE A 124 7.868 3.457 11.196 1.00 0.00 H new ATOM 0 HB ILE A 124 6.428 1.897 10.059 1.00 0.00 H new ATOM 0 HG12 ILE A 124 4.434 4.178 9.904 1.00 0.00 H new ATOM 0 HG13 ILE A 124 5.261 3.405 8.565 1.00 0.00 H new ATOM 0 HG21 ILE A 124 4.614 1.587 11.710 1.00 0.00 H new ATOM 0 HG22 ILE A 124 6.156 1.998 12.497 1.00 0.00 H new ATOM 0 HG23 ILE A 124 4.892 3.237 12.316 1.00 0.00 H new ATOM 0 HD11 ILE A 124 2.946 2.628 8.731 1.00 0.00 H new ATOM 0 HD12 ILE A 124 4.077 1.289 9.038 1.00 0.00 H new ATOM 0 HD13 ILE A 124 3.238 2.073 10.397 1.00 0.00 H new ATOM 1932 N THR A 125 7.819 3.479 8.428 1.00 0.00 N ATOM 1933 CA THR A 125 8.268 3.856 7.092 1.00 0.00 C ATOM 1934 C THR A 125 7.182 4.633 6.354 1.00 0.00 C ATOM 1935 O THR A 125 6.254 4.047 5.804 1.00 0.00 O ATOM 1936 CB THR A 125 8.649 2.611 6.289 1.00 0.00 C ATOM 1937 OG1 THR A 125 9.677 1.887 6.941 1.00 0.00 O ATOM 1938 CG2 THR A 125 9.126 2.927 4.888 1.00 0.00 C ATOM 0 H THR A 125 7.816 2.474 8.605 1.00 0.00 H new ATOM 0 HA THR A 125 9.144 4.496 7.198 1.00 0.00 H new ATOM 0 HB THR A 125 7.735 2.021 6.220 1.00 0.00 H new ATOM 0 HG1 THR A 125 9.905 1.094 6.412 1.00 0.00 H new ATOM 0 HG21 THR A 125 9.380 2.001 4.373 1.00 0.00 H new ATOM 0 HG22 THR A 125 8.335 3.441 4.342 1.00 0.00 H new ATOM 0 HG23 THR A 125 10.007 3.567 4.939 1.00 0.00 H new ATOM 1946 N VAL A 126 7.303 5.956 6.348 1.00 0.00 N ATOM 1947 CA VAL A 126 6.328 6.805 5.682 1.00 0.00 C ATOM 1948 C VAL A 126 6.944 7.557 4.506 1.00 0.00 C ATOM 1949 O VAL A 126 8.068 8.054 4.593 1.00 0.00 O ATOM 1950 CB VAL A 126 5.711 7.815 6.669 1.00 0.00 C ATOM 1951 CG1 VAL A 126 6.749 8.833 7.122 1.00 0.00 C ATOM 1952 CG2 VAL A 126 4.506 8.506 6.047 1.00 0.00 C ATOM 0 H VAL A 126 8.067 6.461 6.797 1.00 0.00 H new ATOM 0 HA VAL A 126 5.545 6.149 5.301 1.00 0.00 H new ATOM 0 HB VAL A 126 5.371 7.268 7.549 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.290 9.535 7.818 1.00 0.00 H new ATOM 0 HG12 VAL A 126 7.572 8.318 7.616 1.00 0.00 H new ATOM 0 HG13 VAL A 126 7.128 9.376 6.256 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.085 9.215 6.760 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.816 9.037 5.147 1.00 0.00 H new ATOM 0 HG23 VAL A 126 3.753 7.761 5.788 1.00 0.00 H new ATOM 1962 N CYS A 127 6.197 7.641 3.411 1.00 0.00 N ATOM 1963 CA CYS A 127 6.661 8.336 2.216 1.00 0.00 C ATOM 1964 C CYS A 127 5.873 9.624 2.000 1.00 0.00 C ATOM 1965 O CYS A 127 4.759 9.602 1.477 1.00 0.00 O ATOM 1966 CB CYS A 127 6.526 7.431 0.989 1.00 0.00 C ATOM 1967 SG CYS A 127 7.119 8.179 -0.546 1.00 0.00 S ATOM 0 H CYS A 127 5.265 7.235 3.326 1.00 0.00 H new ATOM 0 HA CYS A 127 7.712 8.590 2.357 1.00 0.00 H new ATOM 0 HB2 CYS A 127 7.078 6.508 1.168 1.00 0.00 H new ATOM 0 HB3 CYS A 127 5.478 7.157 0.866 1.00 0.00 H new ATOM 0 HG CYS A 127 6.966 7.338 -1.526 1.00 0.00 H new ATOM 1973 N ASP A 128 6.456 10.746 2.412 1.00 0.00 N ATOM 1974 CA ASP A 128 5.807 12.043 2.266 1.00 0.00 C ATOM 1975 C ASP A 128 6.554 12.922 1.270 1.00 0.00 C ATOM 1976 O ASP A 128 7.775 12.830 1.139 1.00 0.00 O ATOM 1977 CB ASP A 128 5.720 12.749 3.620 1.00 0.00 C ATOM 1978 CG ASP A 128 4.671 13.845 3.634 1.00 0.00 C ATOM 1979 OD1 ASP A 128 4.934 14.926 3.067 1.00 0.00 O ATOM 1980 OD2 ASP A 128 3.586 13.621 4.213 1.00 0.00 O ATOM 0 H ASP A 128 7.377 10.782 2.850 1.00 0.00 H new ATOM 0 HA ASP A 128 4.800 11.873 1.886 1.00 0.00 H new ATOM 0 HB2 ASP A 128 5.488 12.017 4.394 1.00 0.00 H new ATOM 0 HB3 ASP A 128 6.692 13.177 3.867 1.00 0.00 H new ATOM 1985 N TYR A 129 5.813 13.777 0.572 1.00 0.00 N ATOM 1986 CA TYR A 129 6.409 14.673 -0.407 1.00 0.00 C ATOM 1987 C TYR A 129 6.931 15.932 0.273 1.00 0.00 C ATOM 1988 O TYR A 129 6.265 16.968 0.287 1.00 0.00 O ATOM 1989 CB TYR A 129 5.393 15.048 -1.491 1.00 0.00 C ATOM 1990 CG TYR A 129 4.983 13.889 -2.375 1.00 0.00 C ATOM 1991 CD1 TYR A 129 4.497 12.705 -1.831 1.00 0.00 C ATOM 1992 CD2 TYR A 129 5.082 13.980 -3.759 1.00 0.00 C ATOM 1993 CE1 TYR A 129 4.123 11.649 -2.639 1.00 0.00 C ATOM 1994 CE2 TYR A 129 4.711 12.927 -4.572 1.00 0.00 C ATOM 1995 CZ TYR A 129 4.233 11.764 -4.009 1.00 0.00 C ATOM 1996 OH TYR A 129 3.861 10.714 -4.816 1.00 0.00 O ATOM 0 H TYR A 129 4.801 13.867 0.667 1.00 0.00 H new ATOM 0 HA TYR A 129 7.243 14.153 -0.878 1.00 0.00 H new ATOM 0 HB2 TYR A 129 4.504 15.461 -1.015 1.00 0.00 H new ATOM 0 HB3 TYR A 129 5.816 15.836 -2.114 1.00 0.00 H new ATOM 0 HD1 TYR A 129 4.411 12.610 -0.759 1.00 0.00 H new ATOM 0 HD2 TYR A 129 5.455 14.890 -4.206 1.00 0.00 H new ATOM 0 HE1 TYR A 129 3.746 10.737 -2.200 1.00 0.00 H new ATOM 0 HE2 TYR A 129 4.795 13.015 -5.645 1.00 0.00 H new ATOM 0 HH TYR A 129 4.269 9.887 -4.485 1.00 0.00 H new ATOM 2006 N THR A 130 8.131 15.834 0.829 1.00 0.00 N ATOM 2007 CA THR A 130 8.757 16.966 1.507 1.00 0.00 C ATOM 2008 C THR A 130 9.651 17.722 0.535 1.00 0.00 C ATOM 2009 O THR A 130 9.752 18.947 0.581 1.00 0.00 O ATOM 2010 CB THR A 130 9.567 16.493 2.716 1.00 0.00 C ATOM 2011 OG1 THR A 130 10.432 17.518 3.171 1.00 0.00 O ATOM 2012 CG2 THR A 130 10.416 15.270 2.434 1.00 0.00 C ATOM 0 H THR A 130 8.692 14.982 0.825 1.00 0.00 H new ATOM 0 HA THR A 130 7.973 17.635 1.863 1.00 0.00 H new ATOM 0 HB THR A 130 8.826 16.232 3.472 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.940 17.197 3.945 1.00 0.00 H new ATOM 0 HG21 THR A 130 10.963 14.991 3.335 1.00 0.00 H new ATOM 0 HG22 THR A 130 9.774 14.444 2.128 1.00 0.00 H new ATOM 0 HG23 THR A 130 11.123 15.494 1.635 1.00 0.00 H new ATOM 2020 N ASN A 131 10.279 16.968 -0.355 1.00 0.00 N ATOM 2021 CA ASN A 131 11.156 17.530 -1.371 1.00 0.00 C ATOM 2022 C ASN A 131 10.981 16.751 -2.670 1.00 0.00 C ATOM 2023 O ASN A 131 11.951 16.262 -3.249 1.00 0.00 O ATOM 2024 CB ASN A 131 12.615 17.478 -0.911 1.00 0.00 C ATOM 2025 CG ASN A 131 13.537 18.261 -1.824 1.00 0.00 C ATOM 2026 OD1 ASN A 131 14.772 17.793 -1.960 1.00 0.00 O flip ATOM 2027 ND2 ASN A 131 13.145 19.276 -2.400 1.00 0.00 N flip ATOM 0 H ASN A 131 10.195 15.952 -0.393 1.00 0.00 H new ATOM 0 HA ASN A 131 10.892 18.575 -1.536 1.00 0.00 H new ATOM 0 HB2 ASN A 131 12.688 17.875 0.102 1.00 0.00 H new ATOM 0 HB3 ASN A 131 12.944 16.440 -0.871 1.00 0.00 H new ATOM 0 HD21 ASN A 131 12.187 19.600 -2.267 1.00 0.00 H new ATOM 0 HD22 ASN A 131 13.778 19.793 -3.010 1.00 0.00 H new ATOM 2034 N PRO A 132 9.727 16.615 -3.138 1.00 0.00 N ATOM 2035 CA PRO A 132 9.411 15.880 -4.362 1.00 0.00 C ATOM 2036 C PRO A 132 10.274 16.315 -5.537 1.00 0.00 C ATOM 2037 O PRO A 132 10.523 15.541 -6.461 1.00 0.00 O ATOM 2038 CB PRO A 132 7.932 16.210 -4.628 1.00 0.00 C ATOM 2039 CG PRO A 132 7.587 17.309 -3.677 1.00 0.00 C ATOM 2040 CD PRO A 132 8.515 17.154 -2.511 1.00 0.00 C ATOM 0 HA PRO A 132 9.600 14.813 -4.247 1.00 0.00 H new ATOM 0 HB2 PRO A 132 7.780 16.524 -5.661 1.00 0.00 H new ATOM 0 HB3 PRO A 132 7.300 15.337 -4.464 1.00 0.00 H new ATOM 0 HG2 PRO A 132 7.711 18.285 -4.147 1.00 0.00 H new ATOM 0 HG3 PRO A 132 6.547 17.238 -3.360 1.00 0.00 H new ATOM 0 HD2 PRO A 132 8.704 18.105 -2.014 1.00 0.00 H new ATOM 0 HD3 PRO A 132 8.112 16.476 -1.759 1.00 0.00 H new ATOM 2048 N CYS A 133 10.730 17.561 -5.492 1.00 0.00 N ATOM 2049 CA CYS A 133 11.572 18.113 -6.551 1.00 0.00 C ATOM 2050 C CYS A 133 12.696 17.147 -6.911 1.00 0.00 C ATOM 2051 O CYS A 133 12.896 16.813 -8.079 1.00 0.00 O ATOM 2052 CB CYS A 133 12.157 19.458 -6.118 1.00 0.00 C ATOM 2053 SG CYS A 133 12.484 20.594 -7.487 1.00 0.00 S ATOM 0 H CYS A 133 10.531 18.211 -4.732 1.00 0.00 H new ATOM 0 HA CYS A 133 10.951 18.264 -7.434 1.00 0.00 H new ATOM 0 HB2 CYS A 133 11.468 19.935 -5.421 1.00 0.00 H new ATOM 0 HB3 CYS A 133 13.086 19.281 -5.577 1.00 0.00 H new ATOM 0 HG CYS A 133 12.975 21.704 -7.022 1.00 0.00 H new ATOM 2059 N THR A 134 13.422 16.700 -5.896 1.00 0.00 N ATOM 2060 CA THR A 134 14.526 15.766 -6.090 1.00 0.00 C ATOM 2061 C THR A 134 14.218 14.416 -5.446 1.00 0.00 C ATOM 2062 O THR A 134 14.761 13.388 -5.848 1.00 0.00 O ATOM 2063 CB THR A 134 15.818 16.341 -5.509 1.00 0.00 C ATOM 2064 OG1 THR A 134 15.788 16.309 -4.093 1.00 0.00 O ATOM 2065 CG2 THR A 134 16.081 17.770 -5.930 1.00 0.00 C ATOM 0 H THR A 134 13.266 16.970 -4.925 1.00 0.00 H new ATOM 0 HA THR A 134 14.656 15.614 -7.162 1.00 0.00 H new ATOM 0 HB THR A 134 16.616 15.712 -5.902 1.00 0.00 H new ATOM 0 HG1 THR A 134 15.287 17.082 -3.759 1.00 0.00 H new ATOM 0 HG21 THR A 134 17.013 18.116 -5.482 1.00 0.00 H new ATOM 0 HG22 THR A 134 16.159 17.821 -7.016 1.00 0.00 H new ATOM 0 HG23 THR A 134 15.261 18.405 -5.595 1.00 0.00 H new ATOM 2073 N LYS A 135 13.341 14.428 -4.446 1.00 0.00 N ATOM 2074 CA LYS A 135 12.957 13.206 -3.749 1.00 0.00 C ATOM 2075 C LYS A 135 11.968 12.385 -4.577 1.00 0.00 C ATOM 2076 O LYS A 135 11.595 11.279 -4.190 1.00 0.00 O ATOM 2077 CB LYS A 135 12.341 13.547 -2.392 1.00 0.00 C ATOM 2078 CG LYS A 135 12.152 12.340 -1.488 1.00 0.00 C ATOM 2079 CD LYS A 135 11.560 12.735 -0.146 1.00 0.00 C ATOM 2080 CE LYS A 135 10.627 11.661 0.389 1.00 0.00 C ATOM 2081 NZ LYS A 135 9.470 11.422 -0.521 1.00 0.00 N ATOM 0 H LYS A 135 12.883 15.271 -4.101 1.00 0.00 H new ATOM 0 HA LYS A 135 13.855 12.607 -3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 135 12.977 14.273 -1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 135 11.375 14.026 -2.551 1.00 0.00 H new ATOM 0 HG2 LYS A 135 11.498 11.617 -1.976 1.00 0.00 H new ATOM 0 HG3 LYS A 135 13.112 11.847 -1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 135 12.363 12.910 0.570 1.00 0.00 H new ATOM 0 HD3 LYS A 135 11.015 13.673 -0.250 1.00 0.00 H new ATOM 0 HE2 LYS A 135 11.182 10.732 0.522 1.00 0.00 H new ATOM 0 HE3 LYS A 135 10.260 11.956 1.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 8.584 11.634 -0.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 9.551 12.038 -1.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 9.467 10.427 -0.824 1.00 0.00 H new ATOM 2095 N SER A 136 11.539 12.934 -5.713 1.00 0.00 N ATOM 2096 CA SER A 136 10.586 12.249 -6.587 1.00 0.00 C ATOM 2097 C SER A 136 11.019 10.814 -6.884 1.00 0.00 C ATOM 2098 O SER A 136 10.190 9.966 -7.213 1.00 0.00 O ATOM 2099 CB SER A 136 10.423 13.023 -7.896 1.00 0.00 C ATOM 2100 OG SER A 136 11.671 13.507 -8.363 1.00 0.00 O ATOM 0 H SER A 136 11.836 13.850 -6.050 1.00 0.00 H new ATOM 0 HA SER A 136 9.630 12.209 -6.064 1.00 0.00 H new ATOM 0 HB2 SER A 136 9.975 12.377 -8.651 1.00 0.00 H new ATOM 0 HB3 SER A 136 9.739 13.858 -7.745 1.00 0.00 H new ATOM 0 HG SER A 136 12.343 12.796 -8.297 1.00 0.00 H new ATOM 2106 N TRP A 137 12.318 10.546 -6.771 1.00 0.00 N ATOM 2107 CA TRP A 137 12.846 9.211 -7.037 1.00 0.00 C ATOM 2108 C TRP A 137 12.563 8.249 -5.879 1.00 0.00 C ATOM 2109 O TRP A 137 12.913 7.071 -5.951 1.00 0.00 O ATOM 2110 CB TRP A 137 14.352 9.278 -7.294 1.00 0.00 C ATOM 2111 CG TRP A 137 14.720 10.179 -8.435 1.00 0.00 C ATOM 2112 CD1 TRP A 137 14.639 11.543 -8.462 1.00 0.00 C ATOM 2113 CD2 TRP A 137 15.226 9.781 -9.713 1.00 0.00 C ATOM 2114 NE1 TRP A 137 15.064 12.015 -9.681 1.00 0.00 N ATOM 2115 CE2 TRP A 137 15.430 10.954 -10.466 1.00 0.00 C ATOM 2116 CE3 TRP A 137 15.527 8.547 -10.297 1.00 0.00 C ATOM 2117 CZ2 TRP A 137 15.920 10.927 -11.769 1.00 0.00 C ATOM 2118 CZ3 TRP A 137 16.014 8.522 -11.590 1.00 0.00 C ATOM 2119 CH2 TRP A 137 16.208 9.706 -12.314 1.00 0.00 C ATOM 0 H TRP A 137 13.021 11.233 -6.498 1.00 0.00 H new ATOM 0 HA TRP A 137 12.341 8.830 -7.925 1.00 0.00 H new ATOM 0 HB2 TRP A 137 14.853 9.625 -6.390 1.00 0.00 H new ATOM 0 HB3 TRP A 137 14.724 8.274 -7.499 1.00 0.00 H new ATOM 0 HD1 TRP A 137 14.292 12.159 -7.646 1.00 0.00 H new ATOM 0 HE1 TRP A 137 15.101 12.996 -9.956 1.00 0.00 H new ATOM 0 HE3 TRP A 137 15.381 7.629 -9.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 137 16.067 11.838 -12.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 137 16.249 7.574 -12.050 1.00 0.00 H new ATOM 0 HH2 TRP A 137 16.592 9.653 -13.322 1.00 0.00 H new ATOM 2130 N PHE A 138 11.928 8.747 -4.819 1.00 0.00 N ATOM 2131 CA PHE A 138 11.611 7.913 -3.662 1.00 0.00 C ATOM 2132 C PHE A 138 10.818 6.676 -4.078 1.00 0.00 C ATOM 2133 O PHE A 138 10.825 5.660 -3.381 1.00 0.00 O ATOM 2134 CB PHE A 138 10.818 8.715 -2.625 1.00 0.00 C ATOM 2135 CG PHE A 138 11.484 8.774 -1.280 1.00 0.00 C ATOM 2136 CD1 PHE A 138 12.702 9.418 -1.123 1.00 0.00 C ATOM 2137 CD2 PHE A 138 10.893 8.187 -0.173 1.00 0.00 C ATOM 2138 CE1 PHE A 138 13.316 9.474 0.113 1.00 0.00 C ATOM 2139 CE2 PHE A 138 11.502 8.240 1.065 1.00 0.00 C ATOM 2140 CZ PHE A 138 12.716 8.885 1.209 1.00 0.00 C ATOM 0 H PHE A 138 11.625 9.717 -4.738 1.00 0.00 H new ATOM 0 HA PHE A 138 12.551 7.587 -3.218 1.00 0.00 H new ATOM 0 HB2 PHE A 138 10.673 9.730 -2.995 1.00 0.00 H new ATOM 0 HB3 PHE A 138 9.828 8.272 -2.513 1.00 0.00 H new ATOM 0 HD1 PHE A 138 13.176 9.881 -1.976 1.00 0.00 H new ATOM 0 HD2 PHE A 138 9.944 7.682 -0.280 1.00 0.00 H new ATOM 0 HE1 PHE A 138 14.265 9.978 0.222 1.00 0.00 H new ATOM 0 HE2 PHE A 138 11.030 7.778 1.920 1.00 0.00 H new ATOM 0 HZ PHE A 138 13.194 8.928 2.176 1.00 0.00 H new ATOM 2150 N TRP A 139 10.133 6.765 -5.215 1.00 0.00 N ATOM 2151 CA TRP A 139 9.339 5.648 -5.712 1.00 0.00 C ATOM 2152 C TRP A 139 10.200 4.402 -5.899 1.00 0.00 C ATOM 2153 O TRP A 139 9.688 3.284 -5.919 1.00 0.00 O ATOM 2154 CB TRP A 139 8.650 6.017 -7.027 1.00 0.00 C ATOM 2155 CG TRP A 139 7.371 6.776 -6.832 1.00 0.00 C ATOM 2156 CD1 TRP A 139 6.961 7.878 -7.528 1.00 0.00 C ATOM 2157 CD2 TRP A 139 6.335 6.495 -5.880 1.00 0.00 C ATOM 2158 NE1 TRP A 139 5.737 8.298 -7.067 1.00 0.00 N ATOM 2159 CE2 TRP A 139 5.333 7.468 -6.054 1.00 0.00 C ATOM 2160 CE3 TRP A 139 6.157 5.516 -4.895 1.00 0.00 C ATOM 2161 CZ2 TRP A 139 4.174 7.491 -5.284 1.00 0.00 C ATOM 2162 CZ3 TRP A 139 5.006 5.542 -4.131 1.00 0.00 C ATOM 2163 CH2 TRP A 139 4.028 6.522 -4.329 1.00 0.00 C ATOM 0 H TRP A 139 10.112 7.596 -5.806 1.00 0.00 H new ATOM 0 HA TRP A 139 8.574 5.426 -4.967 1.00 0.00 H new ATOM 0 HB2 TRP A 139 9.332 6.616 -7.631 1.00 0.00 H new ATOM 0 HB3 TRP A 139 8.442 5.106 -7.589 1.00 0.00 H new ATOM 0 HD1 TRP A 139 7.518 8.350 -8.324 1.00 0.00 H new ATOM 0 HE1 TRP A 139 5.213 9.098 -7.421 1.00 0.00 H new ATOM 0 HE3 TRP A 139 6.906 4.754 -4.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 3.417 8.246 -5.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 4.859 4.792 -3.368 1.00 0.00 H new ATOM 0 HH2 TRP A 139 3.139 6.514 -3.715 1.00 0.00 H new ATOM 2174 N THR A 140 11.509 4.600 -6.024 1.00 0.00 N ATOM 2175 CA THR A 140 12.432 3.484 -6.192 1.00 0.00 C ATOM 2176 C THR A 140 12.610 2.750 -4.868 1.00 0.00 C ATOM 2177 O THR A 140 12.742 1.527 -4.837 1.00 0.00 O ATOM 2178 CB THR A 140 13.783 3.984 -6.705 1.00 0.00 C ATOM 2179 OG1 THR A 140 13.632 4.648 -7.948 1.00 0.00 O ATOM 2180 CG2 THR A 140 14.800 2.880 -6.898 1.00 0.00 C ATOM 0 H THR A 140 11.952 5.519 -6.012 1.00 0.00 H new ATOM 0 HA THR A 140 12.017 2.793 -6.925 1.00 0.00 H new ATOM 0 HB THR A 140 14.150 4.662 -5.934 1.00 0.00 H new ATOM 0 HG1 THR A 140 14.506 4.962 -8.259 1.00 0.00 H new ATOM 0 HG21 THR A 140 15.734 3.306 -7.263 1.00 0.00 H new ATOM 0 HG22 THR A 140 14.977 2.378 -5.947 1.00 0.00 H new ATOM 0 HG23 THR A 140 14.422 2.160 -7.623 1.00 0.00 H new ATOM 2188 N ARG A 141 12.593 3.507 -3.776 1.00 0.00 N ATOM 2189 CA ARG A 141 12.732 2.930 -2.447 1.00 0.00 C ATOM 2190 C ARG A 141 11.506 2.090 -2.115 1.00 0.00 C ATOM 2191 O ARG A 141 11.613 1.026 -1.504 1.00 0.00 O ATOM 2192 CB ARG A 141 12.914 4.032 -1.401 1.00 0.00 C ATOM 2193 CG ARG A 141 14.147 4.888 -1.629 1.00 0.00 C ATOM 2194 CD ARG A 141 15.321 4.412 -0.789 1.00 0.00 C ATOM 2195 NE ARG A 141 16.233 3.564 -1.552 1.00 0.00 N ATOM 2196 CZ ARG A 141 17.441 3.204 -1.127 1.00 0.00 C ATOM 2197 NH1 ARG A 141 17.888 3.618 0.054 1.00 0.00 N ATOM 2198 NH2 ARG A 141 18.207 2.432 -1.884 1.00 0.00 N ATOM 0 H ARG A 141 12.484 4.521 -3.787 1.00 0.00 H new ATOM 0 HA ARG A 141 13.615 2.292 -2.434 1.00 0.00 H new ATOM 0 HB2 ARG A 141 12.032 4.672 -1.403 1.00 0.00 H new ATOM 0 HB3 ARG A 141 12.976 3.577 -0.413 1.00 0.00 H new ATOM 0 HG2 ARG A 141 14.419 4.861 -2.684 1.00 0.00 H new ATOM 0 HG3 ARG A 141 13.921 5.926 -1.384 1.00 0.00 H new ATOM 0 HD2 ARG A 141 15.865 5.275 -0.405 1.00 0.00 H new ATOM 0 HD3 ARG A 141 14.949 3.859 0.074 1.00 0.00 H new ATOM 0 HE ARG A 141 15.926 3.228 -2.465 1.00 0.00 H new ATOM 0 HH11 ARG A 141 17.304 4.215 0.640 1.00 0.00 H new ATOM 0 HH12 ARG A 141 18.815 3.339 0.375 1.00 0.00 H new ATOM 0 HH21 ARG A 141 17.870 2.114 -2.793 1.00 0.00 H new ATOM 0 HH22 ARG A 141 19.133 2.156 -1.558 1.00 0.00 H new ATOM 2212 N LEU A 142 10.342 2.575 -2.536 1.00 0.00 N ATOM 2213 CA LEU A 142 9.088 1.870 -2.299 1.00 0.00 C ATOM 2214 C LEU A 142 8.891 0.776 -3.343 1.00 0.00 C ATOM 2215 O LEU A 142 8.387 -0.305 -3.040 1.00 0.00 O ATOM 2216 CB LEU A 142 7.912 2.849 -2.334 1.00 0.00 C ATOM 2217 CG LEU A 142 6.818 2.584 -1.298 1.00 0.00 C ATOM 2218 CD1 LEU A 142 6.012 3.848 -1.039 1.00 0.00 C ATOM 2219 CD2 LEU A 142 5.910 1.455 -1.760 1.00 0.00 C ATOM 0 H LEU A 142 10.242 3.454 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 142 9.130 1.410 -1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 142 8.295 3.859 -2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 142 7.465 2.821 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 142 7.292 2.283 -0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 142 5.238 3.641 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 142 6.672 4.630 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 142 5.547 4.180 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 142 5.138 1.280 -1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 142 5.443 1.728 -2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 142 6.498 0.547 -1.894 1.00 0.00 H new ATOM 2231 N ALA A 143 9.304 1.066 -4.573 1.00 0.00 N ATOM 2232 CA ALA A 143 9.186 0.108 -5.666 1.00 0.00 C ATOM 2233 C ALA A 143 10.092 -1.091 -5.422 1.00 0.00 C ATOM 2234 O ALA A 143 9.731 -2.229 -5.718 1.00 0.00 O ATOM 2235 CB ALA A 143 9.524 0.769 -6.994 1.00 0.00 C ATOM 0 H ALA A 143 9.724 1.957 -4.837 1.00 0.00 H new ATOM 0 HA ALA A 143 8.154 -0.241 -5.708 1.00 0.00 H new ATOM 0 HB1 ALA A 143 9.431 0.039 -7.798 1.00 0.00 H new ATOM 0 HB2 ALA A 143 8.838 1.597 -7.174 1.00 0.00 H new ATOM 0 HB3 ALA A 143 10.546 1.146 -6.963 1.00 0.00 H new ATOM 2241 N LYS A 144 11.270 -0.820 -4.872 1.00 0.00 N ATOM 2242 CA LYS A 144 12.237 -1.866 -4.572 1.00 0.00 C ATOM 2243 C LYS A 144 11.925 -2.517 -3.228 1.00 0.00 C ATOM 2244 O LYS A 144 12.286 -3.669 -2.984 1.00 0.00 O ATOM 2245 CB LYS A 144 13.651 -1.282 -4.562 1.00 0.00 C ATOM 2246 CG LYS A 144 14.733 -2.293 -4.217 1.00 0.00 C ATOM 2247 CD LYS A 144 15.687 -1.757 -3.160 1.00 0.00 C ATOM 2248 CE LYS A 144 15.752 -2.672 -1.948 1.00 0.00 C ATOM 2249 NZ LYS A 144 17.071 -2.596 -1.264 1.00 0.00 N ATOM 0 H LYS A 144 11.578 0.120 -4.624 1.00 0.00 H new ATOM 0 HA LYS A 144 12.174 -2.631 -5.346 1.00 0.00 H new ATOM 0 HB2 LYS A 144 13.865 -0.856 -5.542 1.00 0.00 H new ATOM 0 HB3 LYS A 144 13.690 -0.463 -3.844 1.00 0.00 H new ATOM 0 HG2 LYS A 144 14.271 -3.212 -3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 144 15.293 -2.548 -5.117 1.00 0.00 H new ATOM 0 HD2 LYS A 144 16.683 -1.650 -3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 144 15.365 -0.763 -2.849 1.00 0.00 H new ATOM 0 HE2 LYS A 144 14.963 -2.401 -1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 144 15.563 -3.700 -2.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 17.074 -3.235 -0.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 17.822 -2.879 -1.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 17.241 -1.621 -0.944 1.00 0.00 H new ATOM 2263 N ALA A 145 11.242 -1.773 -2.361 1.00 0.00 N ATOM 2264 CA ALA A 145 10.870 -2.274 -1.045 1.00 0.00 C ATOM 2265 C ALA A 145 9.625 -3.153 -1.125 1.00 0.00 C ATOM 2266 O ALA A 145 9.316 -3.893 -0.190 1.00 0.00 O ATOM 2267 CB ALA A 145 10.639 -1.115 -0.087 1.00 0.00 C ATOM 0 H ALA A 145 10.935 -0.819 -2.549 1.00 0.00 H new ATOM 0 HA ALA A 145 11.691 -2.885 -0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 145 10.362 -1.503 0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 145 11.553 -0.528 0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 145 9.837 -0.483 -0.467 1.00 0.00 H new ATOM 2273 N LEU A 146 8.915 -3.066 -2.245 1.00 0.00 N ATOM 2274 CA LEU A 146 7.706 -3.850 -2.447 1.00 0.00 C ATOM 2275 C LEU A 146 7.998 -5.133 -3.224 1.00 0.00 C ATOM 2276 O LEU A 146 7.123 -5.984 -3.377 1.00 0.00 O ATOM 2277 CB LEU A 146 6.663 -3.019 -3.195 1.00 0.00 C ATOM 2278 CG LEU A 146 5.844 -2.068 -2.320 1.00 0.00 C ATOM 2279 CD1 LEU A 146 4.831 -1.310 -3.163 1.00 0.00 C ATOM 2280 CD2 LEU A 146 5.149 -2.834 -1.206 1.00 0.00 C ATOM 0 H LEU A 146 9.158 -2.458 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 146 7.318 -4.127 -1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 146 7.169 -2.436 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 146 5.980 -3.697 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 146 6.522 -1.345 -1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 146 4.257 -0.638 -2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 146 5.353 -0.730 -3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 146 4.156 -2.018 -3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 146 4.571 -2.142 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 146 4.482 -3.580 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 146 5.895 -3.331 -0.586 1.00 0.00 H new ATOM 2292 N SER A 147 9.228 -5.266 -3.719 1.00 0.00 N ATOM 2293 CA SER A 147 9.612 -6.449 -4.481 1.00 0.00 C ATOM 2294 C SER A 147 11.094 -6.768 -4.305 1.00 0.00 C ATOM 2295 O SER A 147 11.779 -7.124 -5.265 1.00 0.00 O ATOM 2296 CB SER A 147 9.296 -6.245 -5.964 1.00 0.00 C ATOM 2297 OG SER A 147 9.075 -7.484 -6.614 1.00 0.00 O ATOM 0 H SER A 147 9.969 -4.574 -3.606 1.00 0.00 H new ATOM 0 HA SER A 147 9.037 -7.293 -4.100 1.00 0.00 H new ATOM 0 HB2 SER A 147 8.413 -5.614 -6.067 1.00 0.00 H new ATOM 0 HB3 SER A 147 10.121 -5.720 -6.446 1.00 0.00 H new ATOM 0 HG SER A 147 8.529 -7.340 -7.415 1.00 0.00 H new ATOM 2303 N LEU A 148 11.586 -6.655 -3.074 1.00 0.00 N ATOM 2304 CA LEU A 148 12.988 -6.950 -2.789 1.00 0.00 C ATOM 2305 C LEU A 148 13.300 -8.405 -3.125 1.00 0.00 C ATOM 2306 O LEU A 148 14.238 -8.692 -3.869 1.00 0.00 O ATOM 2307 CB LEU A 148 13.333 -6.685 -1.317 1.00 0.00 C ATOM 2308 CG LEU A 148 12.541 -5.570 -0.627 1.00 0.00 C ATOM 2309 CD1 LEU A 148 11.826 -6.101 0.608 1.00 0.00 C ATOM 2310 CD2 LEU A 148 13.465 -4.420 -0.253 1.00 0.00 C ATOM 0 H LEU A 148 11.040 -6.364 -2.263 1.00 0.00 H new ATOM 0 HA LEU A 148 13.593 -6.289 -3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 148 13.182 -7.609 -0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 148 14.394 -6.443 -1.252 1.00 0.00 H new ATOM 0 HG LEU A 148 11.789 -5.201 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 148 11.270 -5.292 1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 148 11.137 -6.893 0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 148 12.559 -6.498 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 148 12.889 -3.635 0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 148 14.238 -4.780 0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 148 13.931 -4.020 -1.154 1.00 0.00 H new ATOM 2322 N PRO A 149 12.512 -9.347 -2.577 1.00 0.00 N ATOM 2323 CA PRO A 149 12.708 -10.779 -2.820 1.00 0.00 C ATOM 2324 C PRO A 149 12.230 -11.202 -4.205 1.00 0.00 C ATOM 2325 O PRO A 149 11.233 -10.626 -4.688 1.00 0.00 O ATOM 2326 CB PRO A 149 11.856 -11.438 -1.736 1.00 0.00 C ATOM 2327 CG PRO A 149 10.767 -10.458 -1.466 1.00 0.00 C ATOM 2328 CD PRO A 149 11.368 -9.092 -1.675 1.00 0.00 C ATOM 2329 OXT PRO A 149 12.859 -12.106 -4.797 1.00 0.00 O ATOM 0 HA PRO A 149 13.761 -11.060 -2.785 1.00 0.00 H new ATOM 0 HB2 PRO A 149 11.455 -12.394 -2.074 1.00 0.00 H new ATOM 0 HB3 PRO A 149 12.441 -11.637 -0.838 1.00 0.00 H new ATOM 0 HG2 PRO A 149 9.924 -10.619 -2.137 1.00 0.00 H new ATOM 0 HG3 PRO A 149 10.390 -10.566 -0.449 1.00 0.00 H new ATOM 0 HD2 PRO A 149 10.651 -8.403 -2.122 1.00 0.00 H new ATOM 0 HD3 PRO A 149 11.692 -8.648 -0.733 1.00 0.00 H new TER 2337 PRO A 149