USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 600 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 52 SER OG : rot 180:sc= 0.845 USER MOD Set 1.2: A 70 THR OG1 : rot 21:sc= 0.976 USER MOD Set 2.1: A 58 LYS NZ :NH3+ 175:sc= 1.82 (180deg=1.13) USER MOD Set 2.2: A 59 ASN : amide:sc= 0.465 K(o=2.3,f=-2.3) USER MOD Set 3.1: A 50 THR OG1 : rot 180:sc= -0.048 USER MOD Set 3.2: A 54 ASN : amide:sc= -3.78! X(o=-4.4!,f=-4.4) USER MOD Set 3.3: A 69 CYS SG : rot -80:sc= -0.557 USER MOD Set 4.1: A 16 LYS NZ :NH3+ 156:sc= -1.57! (180deg=-4.26!) USER MOD Set 4.2: A 19 ASN : amide:sc= -0.789! C(o=-2.4!,f=-21!) USER MOD Set 5.1: A 7 THR OG1 : rot 66:sc= 0.471 USER MOD Set 5.2: A 24 LYS NZ :NH3+ -120:sc= -0.177 (180deg=-1.19) USER MOD Single : A 3 LYS NZ :NH3+ -177:sc= -0.351 (180deg=-0.375) USER MOD Single : A 8 SER OG : rot 135:sc= 0.425 USER MOD Single : A 15 SER OG : rot -161:sc= 1.24 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 110:sc= 0.263 USER MOD Single : A 26 ASN : amide:sc= -1.83 K(o=-1.8,f=-11!) USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.18) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0375) USER MOD Single : A 38 SER OG : rot -102:sc= 1.28 USER MOD Single : A 39 ASN : amide:sc= 0.747 K(o=0.75,f=-4!) USER MOD Single : A 42 SER OG : rot 68:sc= 1.27 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 160:sc= -1.7 USER MOD Single : A 61 MET CE :methyl -162:sc= -0.0626 (180deg=-0.528) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot -170:sc= 0.0035 USER MOD Single : A 71 LYS NZ :NH3+ 164:sc= -0.0662 (180deg=-0.375) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.402 F(o=-5.9!,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 3 -19.285 -1.485 7.952 1.00 0.00 N ATOM 39 CA LYS A 3 -18.199 -1.010 7.113 1.00 0.00 C ATOM 40 C LYS A 3 -16.932 -1.775 7.475 1.00 0.00 C ATOM 41 O LYS A 3 -16.686 -2.054 8.649 1.00 0.00 O ATOM 42 CB LYS A 3 -17.977 0.495 7.290 1.00 0.00 C ATOM 43 CG LYS A 3 -19.161 1.356 6.885 1.00 0.00 C ATOM 44 CD LYS A 3 -18.807 2.832 6.971 1.00 0.00 C ATOM 45 CE LYS A 3 -19.997 3.726 6.658 1.00 0.00 C ATOM 46 NZ LYS A 3 -20.542 3.491 5.296 1.00 0.00 N ATOM 0 HA LYS A 3 -18.456 -1.182 6.068 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.739 0.694 8.335 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.109 0.793 6.703 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -19.466 1.109 5.868 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -20.011 1.142 7.533 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.438 3.058 7.971 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.997 3.051 6.275 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -20.781 3.553 7.395 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -19.698 4.770 6.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -21.318 4.159 5.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.790 3.632 4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -20.900 2.517 5.229 1.00 0.00 H new ATOM 60 N ASP A 4 -16.135 -2.131 6.484 1.00 0.00 N ATOM 61 CA ASP A 4 -14.962 -2.955 6.735 1.00 0.00 C ATOM 62 C ASP A 4 -13.703 -2.253 6.253 1.00 0.00 C ATOM 63 O ASP A 4 -13.765 -1.370 5.401 1.00 0.00 O ATOM 64 CB ASP A 4 -15.107 -4.312 6.044 1.00 0.00 C ATOM 65 CG ASP A 4 -14.349 -5.406 6.766 1.00 0.00 C ATOM 66 OD1 ASP A 4 -13.138 -5.568 6.523 1.00 0.00 O ATOM 67 OD2 ASP A 4 -14.966 -6.102 7.601 1.00 0.00 O ATOM 0 H ASP A 4 -16.274 -1.867 5.508 1.00 0.00 H new ATOM 0 HA ASP A 4 -14.879 -3.116 7.810 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -16.162 -4.579 5.989 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -14.744 -4.236 5.019 1.00 0.00 H new ATOM 72 N ILE A 5 -12.564 -2.631 6.808 1.00 0.00 N ATOM 73 CA ILE A 5 -11.299 -2.039 6.416 1.00 0.00 C ATOM 74 C ILE A 5 -10.773 -2.714 5.159 1.00 0.00 C ATOM 75 O ILE A 5 -10.241 -3.826 5.220 1.00 0.00 O ATOM 76 CB ILE A 5 -10.242 -2.154 7.541 1.00 0.00 C ATOM 77 CG1 ILE A 5 -10.706 -1.406 8.794 1.00 0.00 C ATOM 78 CG2 ILE A 5 -8.892 -1.623 7.073 1.00 0.00 C ATOM 79 CD1 ILE A 5 -10.887 0.085 8.586 1.00 0.00 C ATOM 0 H ILE A 5 -12.491 -3.346 7.532 1.00 0.00 H new ATOM 0 HA ILE A 5 -11.478 -0.982 6.221 1.00 0.00 H new ATOM 0 HB ILE A 5 -10.126 -3.209 7.790 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -11.650 -1.833 9.132 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -9.980 -1.567 9.591 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.165 -1.714 7.880 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.553 -2.200 6.213 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.991 -0.575 6.791 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.217 0.545 9.518 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -9.939 0.527 8.278 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.635 0.256 7.812 1.00 0.00 H new ATOM 91 N PHE A 6 -10.946 -2.057 4.018 1.00 0.00 N ATOM 92 CA PHE A 6 -10.460 -2.592 2.751 1.00 0.00 C ATOM 93 C PHE A 6 -8.955 -2.809 2.811 1.00 0.00 C ATOM 94 O PHE A 6 -8.178 -1.855 2.808 1.00 0.00 O ATOM 95 CB PHE A 6 -10.817 -1.667 1.587 1.00 0.00 C ATOM 96 CG PHE A 6 -10.382 -2.187 0.243 1.00 0.00 C ATOM 97 CD1 PHE A 6 -11.162 -3.109 -0.440 1.00 0.00 C ATOM 98 CD2 PHE A 6 -9.198 -1.759 -0.334 1.00 0.00 C ATOM 99 CE1 PHE A 6 -10.767 -3.592 -1.672 1.00 0.00 C ATOM 100 CE2 PHE A 6 -8.796 -2.240 -1.566 1.00 0.00 C ATOM 101 CZ PHE A 6 -9.582 -3.156 -2.238 1.00 0.00 C ATOM 0 H PHE A 6 -11.418 -1.156 3.944 1.00 0.00 H new ATOM 0 HA PHE A 6 -10.949 -3.551 2.581 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -11.896 -1.513 1.575 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -10.358 -0.693 1.755 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -12.088 -3.453 -0.003 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.581 -1.040 0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -11.383 -4.310 -2.194 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.869 -1.900 -2.003 1.00 0.00 H new ATOM 0 HZ PHE A 6 -9.272 -3.531 -3.202 1.00 0.00 H new ATOM 111 N THR A 7 -8.549 -4.062 2.896 1.00 0.00 N ATOM 112 CA THR A 7 -7.145 -4.407 2.951 1.00 0.00 C ATOM 113 C THR A 7 -6.791 -5.346 1.801 1.00 0.00 C ATOM 114 O THR A 7 -7.470 -6.350 1.581 1.00 0.00 O ATOM 115 CB THR A 7 -6.793 -5.076 4.295 1.00 0.00 C ATOM 116 OG1 THR A 7 -7.314 -4.293 5.382 1.00 0.00 O ATOM 117 CG2 THR A 7 -5.285 -5.220 4.454 1.00 0.00 C ATOM 0 H THR A 7 -9.180 -4.863 2.929 1.00 0.00 H new ATOM 0 HA THR A 7 -6.566 -3.488 2.860 1.00 0.00 H new ATOM 0 HB THR A 7 -7.242 -6.069 4.307 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.294 -4.309 5.356 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.064 -5.695 5.410 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.891 -5.834 3.644 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.820 -4.235 4.422 1.00 0.00 H new ATOM 125 N SER A 8 -5.754 -5.007 1.055 1.00 0.00 N ATOM 126 CA SER A 8 -5.320 -5.816 -0.075 1.00 0.00 C ATOM 127 C SER A 8 -3.817 -5.677 -0.258 1.00 0.00 C ATOM 128 O SER A 8 -3.138 -5.136 0.606 1.00 0.00 O ATOM 129 CB SER A 8 -6.052 -5.374 -1.345 1.00 0.00 C ATOM 130 OG SER A 8 -7.452 -5.559 -1.211 1.00 0.00 O ATOM 0 H SER A 8 -5.192 -4.171 1.212 1.00 0.00 H new ATOM 0 HA SER A 8 -5.557 -6.862 0.119 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.837 -4.325 -1.547 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.685 -5.945 -2.198 1.00 0.00 H new ATOM 0 HG SER A 8 -7.920 -4.763 -1.540 1.00 0.00 H new ATOM 136 N VAL A 9 -3.298 -6.167 -1.371 1.00 0.00 N ATOM 137 CA VAL A 9 -1.885 -6.014 -1.681 1.00 0.00 C ATOM 138 C VAL A 9 -1.710 -5.289 -3.007 1.00 0.00 C ATOM 139 O VAL A 9 -2.439 -5.547 -3.966 1.00 0.00 O ATOM 140 CB VAL A 9 -1.145 -7.372 -1.728 1.00 0.00 C ATOM 141 CG1 VAL A 9 -1.073 -7.996 -0.343 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.819 -8.329 -2.701 1.00 0.00 C ATOM 0 H VAL A 9 -3.833 -6.674 -2.076 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.444 -5.424 -0.878 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.130 -7.185 -2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.549 -8.950 -0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.537 -7.327 0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.082 -8.159 0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.278 -9.275 -2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.848 -8.503 -2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.814 -7.895 -3.701 1.00 0.00 H new ATOM 152 N VAL A 10 -0.767 -4.365 -3.051 1.00 0.00 N ATOM 153 CA VAL A 10 -0.486 -3.633 -4.274 1.00 0.00 C ATOM 154 C VAL A 10 0.889 -4.025 -4.807 1.00 0.00 C ATOM 155 O VAL A 10 1.766 -4.437 -4.041 1.00 0.00 O ATOM 156 CB VAL A 10 -0.561 -2.100 -4.058 1.00 0.00 C ATOM 157 CG1 VAL A 10 0.576 -1.611 -3.175 1.00 0.00 C ATOM 158 CG2 VAL A 10 -0.572 -1.358 -5.389 1.00 0.00 C ATOM 0 H VAL A 10 -0.184 -4.104 -2.256 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.249 -3.897 -5.006 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.498 -1.886 -3.545 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.496 -0.532 -3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.519 -2.101 -2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.530 -1.849 -3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.625 -0.285 -5.207 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.339 -1.588 -5.941 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.438 -1.670 -5.972 1.00 0.00 H new ATOM 168 N ARG A 11 1.063 -3.922 -6.113 1.00 0.00 N ATOM 169 CA ARG A 11 2.319 -4.291 -6.740 1.00 0.00 C ATOM 170 C ARG A 11 3.254 -3.091 -6.785 1.00 0.00 C ATOM 171 O ARG A 11 3.016 -2.114 -7.497 1.00 0.00 O ATOM 172 CB ARG A 11 2.064 -4.869 -8.136 1.00 0.00 C ATOM 173 CG ARG A 11 1.251 -6.154 -8.080 1.00 0.00 C ATOM 174 CD ARG A 11 0.877 -6.680 -9.455 1.00 0.00 C ATOM 175 NE ARG A 11 0.057 -7.887 -9.341 1.00 0.00 N ATOM 176 CZ ARG A 11 -0.915 -8.225 -10.185 1.00 0.00 C ATOM 177 NH1 ARG A 11 -1.148 -7.497 -11.272 1.00 0.00 N ATOM 178 NH2 ARG A 11 -1.641 -9.309 -9.945 1.00 0.00 N ATOM 0 H ARG A 11 0.350 -3.586 -6.760 1.00 0.00 H new ATOM 0 HA ARG A 11 2.805 -5.066 -6.148 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.537 -4.133 -8.743 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.017 -5.064 -8.628 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.822 -6.916 -7.549 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.342 -5.978 -7.505 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.332 -5.914 -10.007 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.780 -6.900 -10.024 1.00 0.00 H new ATOM 0 HE ARG A 11 0.244 -8.514 -8.559 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.580 -6.672 -11.465 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.895 -7.763 -11.914 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.452 -9.876 -9.119 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.388 -9.575 -10.587 1.00 0.00 H new ATOM 192 N VAL A 12 4.308 -3.183 -5.999 1.00 0.00 N ATOM 193 CA VAL A 12 5.234 -2.086 -5.798 1.00 0.00 C ATOM 194 C VAL A 12 6.452 -2.273 -6.697 1.00 0.00 C ATOM 195 O VAL A 12 6.950 -3.386 -6.841 1.00 0.00 O ATOM 196 CB VAL A 12 5.680 -2.040 -4.317 1.00 0.00 C ATOM 197 CG1 VAL A 12 6.277 -0.694 -3.953 1.00 0.00 C ATOM 198 CG2 VAL A 12 4.518 -2.370 -3.397 1.00 0.00 C ATOM 0 H VAL A 12 4.548 -4.027 -5.478 1.00 0.00 H new ATOM 0 HA VAL A 12 4.740 -1.148 -6.051 1.00 0.00 H new ATOM 0 HB VAL A 12 6.457 -2.794 -4.186 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.578 -0.701 -2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.148 -0.501 -4.580 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.535 0.088 -4.112 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.853 -2.332 -2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.718 -1.645 -3.547 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.148 -3.370 -3.623 1.00 0.00 H new ATOM 208 N ARG A 13 6.951 -1.196 -7.283 1.00 0.00 N ATOM 209 CA ARG A 13 8.050 -1.309 -8.233 1.00 0.00 C ATOM 210 C ARG A 13 9.392 -1.460 -7.522 1.00 0.00 C ATOM 211 O ARG A 13 9.615 -0.891 -6.449 1.00 0.00 O ATOM 212 CB ARG A 13 8.062 -0.124 -9.199 1.00 0.00 C ATOM 213 CG ARG A 13 6.957 -0.211 -10.241 1.00 0.00 C ATOM 214 CD ARG A 13 7.121 0.826 -11.339 1.00 0.00 C ATOM 215 NE ARG A 13 6.709 2.161 -10.918 1.00 0.00 N ATOM 216 CZ ARG A 13 7.045 3.279 -11.563 1.00 0.00 C ATOM 217 NH1 ARG A 13 7.893 3.238 -12.584 1.00 0.00 N ATOM 218 NH2 ARG A 13 6.542 4.442 -11.174 1.00 0.00 N ATOM 0 H ARG A 13 6.619 -0.245 -7.122 1.00 0.00 H new ATOM 0 HA ARG A 13 7.890 -2.215 -8.817 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.953 0.802 -8.634 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.028 -0.079 -9.702 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.954 -1.208 -10.682 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.991 -0.074 -9.756 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.164 0.854 -11.654 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.534 0.526 -12.207 1.00 0.00 H new ATOM 0 HE ARG A 13 6.131 2.244 -10.082 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.292 2.347 -12.880 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.145 4.097 -13.072 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.899 4.481 -10.383 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.798 5.298 -11.666 1.00 0.00 H new ATOM 232 N GLY A 14 10.265 -2.256 -8.130 1.00 0.00 N ATOM 233 CA GLY A 14 11.495 -2.689 -7.496 1.00 0.00 C ATOM 234 C GLY A 14 12.542 -1.609 -7.319 1.00 0.00 C ATOM 235 O GLY A 14 13.317 -1.324 -8.229 1.00 0.00 O ATOM 0 H GLY A 14 10.136 -2.616 -9.075 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.254 -3.104 -6.517 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.925 -3.497 -8.088 1.00 0.00 H new ATOM 239 N SER A 15 12.545 -1.006 -6.145 1.00 0.00 N ATOM 240 CA SER A 15 13.656 -0.187 -5.690 1.00 0.00 C ATOM 241 C SER A 15 14.243 -0.835 -4.440 1.00 0.00 C ATOM 242 O SER A 15 15.073 -0.259 -3.731 1.00 0.00 O ATOM 243 CB SER A 15 13.166 1.230 -5.389 1.00 0.00 C ATOM 244 OG SER A 15 12.006 1.199 -4.570 1.00 0.00 O ATOM 0 H SER A 15 11.776 -1.070 -5.478 1.00 0.00 H new ATOM 0 HA SER A 15 14.424 -0.119 -6.461 1.00 0.00 H new ATOM 0 HB2 SER A 15 13.954 1.794 -4.890 1.00 0.00 H new ATOM 0 HB3 SER A 15 12.944 1.749 -6.322 1.00 0.00 H new ATOM 0 HG SER A 15 11.540 2.059 -4.631 1.00 0.00 H new ATOM 250 N LYS A 16 13.808 -2.070 -4.219 1.00 0.00 N ATOM 251 CA LYS A 16 14.081 -2.814 -2.998 1.00 0.00 C ATOM 252 C LYS A 16 13.642 -4.264 -3.209 1.00 0.00 C ATOM 253 O LYS A 16 13.333 -4.648 -4.338 1.00 0.00 O ATOM 254 CB LYS A 16 13.351 -2.164 -1.803 1.00 0.00 C ATOM 255 CG LYS A 16 11.826 -2.344 -1.757 1.00 0.00 C ATOM 256 CD LYS A 16 11.163 -2.218 -3.122 1.00 0.00 C ATOM 257 CE LYS A 16 9.675 -1.983 -3.006 1.00 0.00 C ATOM 258 NZ LYS A 16 8.981 -2.300 -4.279 1.00 0.00 N ATOM 0 H LYS A 16 13.247 -2.589 -4.894 1.00 0.00 H new ATOM 0 HA LYS A 16 15.147 -2.796 -2.770 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.771 -2.571 -0.883 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.569 -1.096 -1.808 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.595 -3.323 -1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.400 -1.600 -1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.619 -1.395 -3.672 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.343 -3.125 -3.698 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.268 -2.599 -2.204 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.488 -0.944 -2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.985 -2.527 -4.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.031 -1.479 -4.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.440 -3.116 -4.731 1.00 0.00 H new ATOM 272 N LYS A 17 13.595 -5.059 -2.150 1.00 0.00 N ATOM 273 CA LYS A 17 13.253 -6.473 -2.298 1.00 0.00 C ATOM 274 C LYS A 17 11.741 -6.729 -2.272 1.00 0.00 C ATOM 275 O LYS A 17 11.238 -7.530 -3.061 1.00 0.00 O ATOM 276 CB LYS A 17 13.957 -7.320 -1.235 1.00 0.00 C ATOM 277 CG LYS A 17 13.721 -6.871 0.200 1.00 0.00 C ATOM 278 CD LYS A 17 14.326 -7.858 1.188 1.00 0.00 C ATOM 279 CE LYS A 17 15.808 -8.071 0.922 1.00 0.00 C ATOM 280 NZ LYS A 17 16.385 -9.153 1.762 1.00 0.00 N ATOM 0 H LYS A 17 13.785 -4.760 -1.193 1.00 0.00 H new ATOM 0 HA LYS A 17 13.607 -6.772 -3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.626 -8.353 -1.336 1.00 0.00 H new ATOM 0 HB3 LYS A 17 15.029 -7.308 -1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.158 -5.884 0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.651 -6.777 0.384 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.186 -7.490 2.204 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.802 -8.811 1.120 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.954 -8.315 -0.130 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.346 -7.142 1.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 17.396 -9.260 1.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 16.271 -8.910 2.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.892 -10.047 1.564 1.00 0.00 H new ATOM 294 N TYR A 18 11.013 -6.055 -1.386 1.00 0.00 N ATOM 295 CA TYR A 18 9.580 -6.310 -1.237 1.00 0.00 C ATOM 296 C TYR A 18 8.768 -5.560 -2.284 1.00 0.00 C ATOM 297 O TYR A 18 8.457 -4.387 -2.115 1.00 0.00 O ATOM 298 CB TYR A 18 9.096 -5.932 0.166 1.00 0.00 C ATOM 299 CG TYR A 18 9.558 -6.876 1.253 1.00 0.00 C ATOM 300 CD1 TYR A 18 8.867 -8.052 1.512 1.00 0.00 C ATOM 301 CD2 TYR A 18 10.675 -6.588 2.023 1.00 0.00 C ATOM 302 CE1 TYR A 18 9.280 -8.915 2.509 1.00 0.00 C ATOM 303 CE2 TYR A 18 11.094 -7.446 3.021 1.00 0.00 C ATOM 304 CZ TYR A 18 10.393 -8.608 3.261 1.00 0.00 C ATOM 305 OH TYR A 18 10.807 -9.464 4.255 1.00 0.00 O ATOM 0 H TYR A 18 11.385 -5.336 -0.766 1.00 0.00 H new ATOM 0 HA TYR A 18 9.428 -7.379 -1.385 1.00 0.00 H new ATOM 0 HB2 TYR A 18 9.445 -4.926 0.400 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.006 -5.900 0.166 1.00 0.00 H new ATOM 0 HD1 TYR A 18 7.994 -8.296 0.925 1.00 0.00 H new ATOM 0 HD2 TYR A 18 11.226 -5.678 1.839 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.733 -9.827 2.698 1.00 0.00 H new ATOM 0 HE2 TYR A 18 11.967 -7.207 3.611 1.00 0.00 H new ATOM 0 HH TYR A 18 11.607 -9.100 4.688 1.00 0.00 H new ATOM 315 N ASN A 19 8.413 -6.246 -3.361 1.00 0.00 N ATOM 316 CA ASN A 19 7.724 -5.604 -4.479 1.00 0.00 C ATOM 317 C ASN A 19 6.219 -5.826 -4.433 1.00 0.00 C ATOM 318 O ASN A 19 5.510 -5.521 -5.385 1.00 0.00 O ATOM 319 CB ASN A 19 8.297 -6.093 -5.809 1.00 0.00 C ATOM 320 CG ASN A 19 9.709 -5.592 -6.025 1.00 0.00 C ATOM 321 OD1 ASN A 19 10.087 -4.538 -5.507 1.00 0.00 O ATOM 322 ND2 ASN A 19 10.497 -6.334 -6.785 1.00 0.00 N ATOM 0 H ASN A 19 8.588 -7.243 -3.487 1.00 0.00 H new ATOM 0 HA ASN A 19 7.893 -4.531 -4.390 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.290 -7.183 -5.830 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.661 -5.754 -6.627 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.458 -6.041 -6.962 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.144 -7.199 -7.194 1.00 0.00 H new ATOM 329 N VAL A 20 5.735 -6.349 -3.322 1.00 0.00 N ATOM 330 CA VAL A 20 4.303 -6.467 -3.085 1.00 0.00 C ATOM 331 C VAL A 20 4.010 -6.167 -1.624 1.00 0.00 C ATOM 332 O VAL A 20 4.570 -6.805 -0.730 1.00 0.00 O ATOM 333 CB VAL A 20 3.749 -7.865 -3.460 1.00 0.00 C ATOM 334 CG1 VAL A 20 3.583 -7.997 -4.966 1.00 0.00 C ATOM 335 CG2 VAL A 20 4.656 -8.967 -2.935 1.00 0.00 C ATOM 0 H VAL A 20 6.316 -6.702 -2.562 1.00 0.00 H new ATOM 0 HA VAL A 20 3.802 -5.745 -3.729 1.00 0.00 H new ATOM 0 HB VAL A 20 2.770 -7.970 -2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.193 -8.987 -5.204 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.888 -7.237 -5.323 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.549 -7.862 -5.452 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.246 -9.938 -3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.650 -8.857 -3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.723 -8.897 -1.849 1.00 0.00 H new ATOM 345 N VAL A 21 3.161 -5.184 -1.379 1.00 0.00 N ATOM 346 CA VAL A 21 2.928 -4.728 -0.017 1.00 0.00 C ATOM 347 C VAL A 21 1.431 -4.632 0.301 1.00 0.00 C ATOM 348 O VAL A 21 0.626 -4.239 -0.552 1.00 0.00 O ATOM 349 CB VAL A 21 3.621 -3.362 0.233 1.00 0.00 C ATOM 350 CG1 VAL A 21 2.841 -2.208 -0.381 1.00 0.00 C ATOM 351 CG2 VAL A 21 3.847 -3.133 1.713 1.00 0.00 C ATOM 0 H VAL A 21 2.627 -4.691 -2.094 1.00 0.00 H new ATOM 0 HA VAL A 21 3.364 -5.470 0.652 1.00 0.00 H new ATOM 0 HB VAL A 21 4.592 -3.397 -0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.361 -1.271 -0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.759 -2.356 -1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.844 -2.169 0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.334 -2.169 1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.889 -3.140 2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.481 -3.925 2.111 1.00 0.00 H new ATOM 361 N PRO A 22 1.037 -5.043 1.522 1.00 0.00 N ATOM 362 CA PRO A 22 -0.344 -4.915 1.999 1.00 0.00 C ATOM 363 C PRO A 22 -0.740 -3.467 2.301 1.00 0.00 C ATOM 364 O PRO A 22 -0.089 -2.774 3.088 1.00 0.00 O ATOM 365 CB PRO A 22 -0.363 -5.752 3.281 1.00 0.00 C ATOM 366 CG PRO A 22 1.049 -5.761 3.751 1.00 0.00 C ATOM 367 CD PRO A 22 1.899 -5.716 2.512 1.00 0.00 C ATOM 0 HA PRO A 22 -1.057 -5.247 1.244 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -1.026 -5.316 4.028 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.722 -6.763 3.088 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.251 -4.905 4.394 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.260 -6.656 4.336 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.823 -5.163 2.680 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.181 -6.716 2.183 1.00 0.00 H new ATOM 375 N VAL A 23 -1.814 -3.029 1.665 1.00 0.00 N ATOM 376 CA VAL A 23 -2.368 -1.703 1.877 1.00 0.00 C ATOM 377 C VAL A 23 -3.758 -1.824 2.490 1.00 0.00 C ATOM 378 O VAL A 23 -4.432 -2.842 2.316 1.00 0.00 O ATOM 379 CB VAL A 23 -2.456 -0.900 0.557 1.00 0.00 C ATOM 380 CG1 VAL A 23 -1.074 -0.718 -0.053 1.00 0.00 C ATOM 381 CG2 VAL A 23 -3.392 -1.580 -0.436 1.00 0.00 C ATOM 0 H VAL A 23 -2.328 -3.587 0.983 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.702 -1.167 2.553 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.865 0.084 0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.157 -0.151 -0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.436 -0.178 0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.637 -1.694 -0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.435 -0.995 -1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.021 -2.580 -0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.390 -1.652 -0.004 1.00 0.00 H new ATOM 391 N LYS A 24 -4.182 -0.799 3.204 1.00 0.00 N ATOM 392 CA LYS A 24 -5.478 -0.817 3.863 1.00 0.00 C ATOM 393 C LYS A 24 -6.119 0.561 3.837 1.00 0.00 C ATOM 394 O LYS A 24 -5.531 1.524 3.340 1.00 0.00 O ATOM 395 CB LYS A 24 -5.348 -1.301 5.311 1.00 0.00 C ATOM 396 CG LYS A 24 -4.390 -0.473 6.153 1.00 0.00 C ATOM 397 CD LYS A 24 -4.444 -0.846 7.633 1.00 0.00 C ATOM 398 CE LYS A 24 -4.108 -2.312 7.879 1.00 0.00 C ATOM 399 NZ LYS A 24 -5.305 -3.193 7.793 1.00 0.00 N ATOM 0 H LYS A 24 -3.648 0.059 3.344 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.116 -1.511 3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.333 -1.287 5.778 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.011 -2.338 5.309 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.374 -0.611 5.783 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.631 0.584 6.038 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.746 -0.219 8.188 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.440 -0.635 8.021 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.367 -2.639 7.150 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.654 -2.417 8.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.443 -3.681 8.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.145 -2.618 7.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.165 -3.896 7.040 1.00 0.00 H new ATOM 413 N SER A 25 -7.312 0.651 4.392 1.00 0.00 N ATOM 414 CA SER A 25 -8.031 1.907 4.461 1.00 0.00 C ATOM 415 C SER A 25 -8.061 2.405 5.901 1.00 0.00 C ATOM 416 O SER A 25 -8.421 1.667 6.820 1.00 0.00 O ATOM 417 CB SER A 25 -9.454 1.726 3.925 1.00 0.00 C ATOM 418 OG SER A 25 -10.157 0.720 4.634 1.00 0.00 O ATOM 0 H SER A 25 -7.807 -0.139 4.805 1.00 0.00 H new ATOM 0 HA SER A 25 -7.521 2.648 3.845 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.994 2.670 4.001 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.414 1.466 2.867 1.00 0.00 H new ATOM 0 HG SER A 25 -10.864 1.133 5.173 1.00 0.00 H new ATOM 424 N ASN A 26 -7.645 3.651 6.093 1.00 0.00 N ATOM 425 CA ASN A 26 -7.601 4.260 7.421 1.00 0.00 C ATOM 426 C ASN A 26 -9.001 4.379 8.010 1.00 0.00 C ATOM 427 O ASN A 26 -9.172 4.438 9.225 1.00 0.00 O ATOM 428 CB ASN A 26 -6.933 5.641 7.360 1.00 0.00 C ATOM 429 CG ASN A 26 -7.695 6.642 6.503 1.00 0.00 C ATOM 430 OD1 ASN A 26 -8.415 6.274 5.578 1.00 0.00 O ATOM 431 ND2 ASN A 26 -7.533 7.920 6.796 1.00 0.00 N ATOM 0 H ASN A 26 -7.331 4.265 5.341 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.009 3.613 8.068 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.839 6.036 8.371 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.923 5.531 6.966 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.013 8.634 6.248 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.928 8.193 7.571 1.00 0.00 H new ATOM 438 N LYS A 27 -9.994 4.417 7.138 1.00 0.00 N ATOM 439 CA LYS A 27 -11.382 4.496 7.550 1.00 0.00 C ATOM 440 C LYS A 27 -12.146 3.314 6.967 1.00 0.00 C ATOM 441 O LYS A 27 -11.858 2.881 5.850 1.00 0.00 O ATOM 442 CB LYS A 27 -11.987 5.822 7.080 1.00 0.00 C ATOM 443 CG LYS A 27 -11.227 7.032 7.600 1.00 0.00 C ATOM 444 CD LYS A 27 -11.588 8.303 6.849 1.00 0.00 C ATOM 445 CE LYS A 27 -10.653 9.441 7.233 1.00 0.00 C ATOM 446 NZ LYS A 27 -10.899 10.673 6.439 1.00 0.00 N ATOM 0 H LYS A 27 -9.860 4.394 6.127 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.450 4.456 8.637 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.997 5.846 5.990 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.024 5.880 7.410 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.441 7.165 8.660 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.156 6.852 7.512 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.530 8.125 5.775 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.618 8.582 7.071 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.775 9.665 8.293 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.620 9.122 7.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.194 11.395 6.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.823 10.454 5.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.852 11.034 6.645 1.00 0.00 H new ATOM 460 N PRO A 28 -13.097 2.754 7.724 1.00 0.00 N ATOM 461 CA PRO A 28 -13.895 1.616 7.261 1.00 0.00 C ATOM 462 C PRO A 28 -14.773 1.978 6.068 1.00 0.00 C ATOM 463 O PRO A 28 -15.520 2.959 6.098 1.00 0.00 O ATOM 464 CB PRO A 28 -14.747 1.249 8.481 1.00 0.00 C ATOM 465 CG PRO A 28 -14.779 2.480 9.321 1.00 0.00 C ATOM 466 CD PRO A 28 -13.469 3.180 9.086 1.00 0.00 C ATOM 0 HA PRO A 28 -13.272 0.793 6.911 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -15.752 0.949 8.184 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -14.313 0.411 9.027 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.617 3.119 9.044 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.904 2.230 10.375 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.573 4.263 9.154 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.718 2.885 9.819 1.00 0.00 H new ATOM 474 N VAL A 29 -14.674 1.177 5.022 1.00 0.00 N ATOM 475 CA VAL A 29 -15.392 1.428 3.783 1.00 0.00 C ATOM 476 C VAL A 29 -16.466 0.377 3.547 1.00 0.00 C ATOM 477 O VAL A 29 -16.348 -0.764 3.996 1.00 0.00 O ATOM 478 CB VAL A 29 -14.435 1.429 2.567 1.00 0.00 C ATOM 479 CG1 VAL A 29 -13.612 2.705 2.512 1.00 0.00 C ATOM 480 CG2 VAL A 29 -13.524 0.214 2.599 1.00 0.00 C ATOM 0 H VAL A 29 -14.096 0.337 5.006 1.00 0.00 H new ATOM 0 HA VAL A 29 -15.854 2.410 3.884 1.00 0.00 H new ATOM 0 HB VAL A 29 -15.047 1.383 1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.950 2.674 1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -14.278 3.564 2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -13.017 2.794 3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -12.860 0.235 1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.931 0.228 3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.127 -0.694 2.571 1.00 0.00 H new ATOM 490 N GLU A 30 -17.529 0.778 2.868 1.00 0.00 N ATOM 491 CA GLU A 30 -18.504 -0.171 2.356 1.00 0.00 C ATOM 492 C GLU A 30 -17.848 -0.989 1.252 1.00 0.00 C ATOM 493 O GLU A 30 -17.371 -0.427 0.263 1.00 0.00 O ATOM 494 CB GLU A 30 -19.725 0.565 1.806 1.00 0.00 C ATOM 495 CG GLU A 30 -20.411 1.441 2.837 1.00 0.00 C ATOM 496 CD GLU A 30 -21.497 2.311 2.245 1.00 0.00 C ATOM 497 OE1 GLU A 30 -21.169 3.379 1.690 1.00 0.00 O ATOM 498 OE2 GLU A 30 -22.684 1.943 2.355 1.00 0.00 O ATOM 0 H GLU A 30 -17.738 1.754 2.659 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.836 -0.827 3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.419 1.182 0.961 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -20.440 -0.165 1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -20.842 0.809 3.613 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -19.667 2.076 3.319 1.00 0.00 H new ATOM 505 N ILE A 31 -17.796 -2.302 1.419 1.00 0.00 N ATOM 506 CA ILE A 31 -17.081 -3.133 0.469 1.00 0.00 C ATOM 507 C ILE A 31 -17.889 -3.365 -0.807 1.00 0.00 C ATOM 508 O ILE A 31 -18.617 -4.343 -0.964 1.00 0.00 O ATOM 509 CB ILE A 31 -16.601 -4.469 1.073 1.00 0.00 C ATOM 510 CG1 ILE A 31 -15.929 -5.302 -0.016 1.00 0.00 C ATOM 511 CG2 ILE A 31 -17.748 -5.233 1.732 1.00 0.00 C ATOM 512 CD1 ILE A 31 -15.009 -6.363 0.518 1.00 0.00 C ATOM 0 H ILE A 31 -18.233 -2.806 2.191 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.185 -2.572 0.203 1.00 0.00 H new ATOM 0 HB ILE A 31 -15.875 -4.259 1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -16.698 -5.774 -0.627 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -15.364 -4.639 -0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -17.372 -6.168 2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -18.176 -4.628 2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.516 -5.448 0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -14.568 -6.914 -0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -14.218 -5.897 1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -15.573 -7.049 1.150 1.00 0.00 H new ATOM 524 N SER A 32 -17.771 -2.400 -1.688 1.00 0.00 N ATOM 525 CA SER A 32 -18.368 -2.468 -3.018 1.00 0.00 C ATOM 526 C SER A 32 -17.402 -1.937 -4.084 1.00 0.00 C ATOM 527 O SER A 32 -17.627 -2.114 -5.279 1.00 0.00 O ATOM 528 CB SER A 32 -19.669 -1.657 -3.051 1.00 0.00 C ATOM 529 OG SER A 32 -20.567 -2.085 -2.042 1.00 0.00 O ATOM 0 H SER A 32 -17.257 -1.537 -1.510 1.00 0.00 H new ATOM 0 HA SER A 32 -18.584 -3.513 -3.239 1.00 0.00 H new ATOM 0 HB2 SER A 32 -19.444 -0.599 -2.916 1.00 0.00 H new ATOM 0 HB3 SER A 32 -20.140 -1.761 -4.028 1.00 0.00 H new ATOM 0 HG SER A 32 -21.387 -1.550 -2.085 1.00 0.00 H new ATOM 535 N LYS A 33 -16.309 -1.317 -3.647 1.00 0.00 N ATOM 536 CA LYS A 33 -15.390 -0.640 -4.552 1.00 0.00 C ATOM 537 C LYS A 33 -14.130 -1.457 -4.788 1.00 0.00 C ATOM 538 O LYS A 33 -13.126 -0.925 -5.256 1.00 0.00 O ATOM 539 CB LYS A 33 -14.996 0.721 -3.977 1.00 0.00 C ATOM 540 CG LYS A 33 -16.020 1.820 -4.191 1.00 0.00 C ATOM 541 CD LYS A 33 -15.619 3.075 -3.429 1.00 0.00 C ATOM 542 CE LYS A 33 -16.299 4.324 -3.967 1.00 0.00 C ATOM 543 NZ LYS A 33 -17.780 4.208 -3.985 1.00 0.00 N ATOM 0 H LYS A 33 -16.039 -1.271 -2.665 1.00 0.00 H new ATOM 0 HA LYS A 33 -15.905 -0.513 -5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -14.820 0.611 -2.907 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -14.052 1.030 -4.426 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.105 2.044 -5.254 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.001 1.482 -3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -15.871 2.953 -2.376 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.538 3.201 -3.485 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -16.013 5.180 -3.356 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -15.942 4.520 -4.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -18.196 5.120 -4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -18.063 3.476 -4.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -18.119 3.948 -3.037 1.00 0.00 H new ATOM 557 N TRP A 34 -14.178 -2.745 -4.481 1.00 0.00 N ATOM 558 CA TRP A 34 -13.000 -3.595 -4.634 1.00 0.00 C ATOM 559 C TRP A 34 -12.580 -3.668 -6.101 1.00 0.00 C ATOM 560 O TRP A 34 -11.406 -3.860 -6.413 1.00 0.00 O ATOM 561 CB TRP A 34 -13.246 -4.998 -4.058 1.00 0.00 C ATOM 562 CG TRP A 34 -14.370 -5.754 -4.704 1.00 0.00 C ATOM 563 CD1 TRP A 34 -15.699 -5.656 -4.414 1.00 0.00 C ATOM 564 CD2 TRP A 34 -14.255 -6.746 -5.733 1.00 0.00 C ATOM 565 NE1 TRP A 34 -16.419 -6.518 -5.203 1.00 0.00 N ATOM 566 CE2 TRP A 34 -15.554 -7.199 -6.021 1.00 0.00 C ATOM 567 CE3 TRP A 34 -13.179 -7.292 -6.440 1.00 0.00 C ATOM 568 CZ2 TRP A 34 -15.807 -8.170 -6.987 1.00 0.00 C ATOM 569 CZ3 TRP A 34 -13.431 -8.255 -7.397 1.00 0.00 C ATOM 570 CH2 TRP A 34 -14.736 -8.686 -7.662 1.00 0.00 C ATOM 0 H TRP A 34 -15.008 -3.223 -4.129 1.00 0.00 H new ATOM 0 HA TRP A 34 -12.184 -3.148 -4.067 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -12.331 -5.582 -4.156 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -13.453 -4.907 -2.992 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -16.123 -4.996 -3.672 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -17.432 -6.633 -5.184 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -12.169 -6.966 -6.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -16.813 -8.503 -7.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -12.608 -8.683 -7.950 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -14.900 -9.442 -8.416 1.00 0.00 H new ATOM 581 N ILE A 35 -13.547 -3.482 -6.993 1.00 0.00 N ATOM 582 CA ILE A 35 -13.279 -3.448 -8.423 1.00 0.00 C ATOM 583 C ILE A 35 -12.578 -2.146 -8.803 1.00 0.00 C ATOM 584 O ILE A 35 -11.565 -2.154 -9.499 1.00 0.00 O ATOM 585 CB ILE A 35 -14.582 -3.585 -9.243 1.00 0.00 C ATOM 586 CG1 ILE A 35 -15.323 -4.868 -8.852 1.00 0.00 C ATOM 587 CG2 ILE A 35 -14.278 -3.576 -10.736 1.00 0.00 C ATOM 588 CD1 ILE A 35 -16.656 -5.040 -9.550 1.00 0.00 C ATOM 0 H ILE A 35 -14.528 -3.352 -6.747 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.631 -4.293 -8.655 1.00 0.00 H new ATOM 0 HB ILE A 35 -15.224 -2.732 -9.020 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -14.690 -5.726 -9.080 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -15.485 -4.869 -7.774 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -15.207 -3.673 -11.297 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.790 -2.638 -11.002 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.619 -4.410 -10.978 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -17.121 -5.970 -9.223 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -17.307 -4.202 -9.302 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -16.501 -5.072 -10.628 1.00 0.00 H new ATOM 600 N ASP A 36 -13.115 -1.030 -8.323 1.00 0.00 N ATOM 601 CA ASP A 36 -12.573 0.292 -8.635 1.00 0.00 C ATOM 602 C ASP A 36 -11.206 0.491 -7.991 1.00 0.00 C ATOM 603 O ASP A 36 -10.307 1.067 -8.595 1.00 0.00 O ATOM 604 CB ASP A 36 -13.524 1.392 -8.151 1.00 0.00 C ATOM 605 CG ASP A 36 -14.880 1.334 -8.819 1.00 0.00 C ATOM 606 OD1 ASP A 36 -15.730 0.532 -8.378 1.00 0.00 O ATOM 607 OD2 ASP A 36 -15.110 2.095 -9.785 1.00 0.00 O ATOM 0 H ASP A 36 -13.931 -1.013 -7.712 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.466 0.355 -9.718 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.652 1.306 -7.072 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.072 2.366 -8.341 1.00 0.00 H new ATOM 612 N PHE A 37 -11.051 0.014 -6.764 1.00 0.00 N ATOM 613 CA PHE A 37 -9.789 0.156 -6.054 1.00 0.00 C ATOM 614 C PHE A 37 -8.680 -0.613 -6.764 1.00 0.00 C ATOM 615 O PHE A 37 -7.613 -0.065 -7.018 1.00 0.00 O ATOM 616 CB PHE A 37 -9.918 -0.299 -4.595 1.00 0.00 C ATOM 617 CG PHE A 37 -10.697 0.655 -3.728 1.00 0.00 C ATOM 618 CD1 PHE A 37 -10.818 1.989 -4.079 1.00 0.00 C ATOM 619 CD2 PHE A 37 -11.301 0.219 -2.558 1.00 0.00 C ATOM 620 CE1 PHE A 37 -11.524 2.869 -3.285 1.00 0.00 C ATOM 621 CE2 PHE A 37 -12.007 1.097 -1.758 1.00 0.00 C ATOM 622 CZ PHE A 37 -12.119 2.424 -2.123 1.00 0.00 C ATOM 0 H PHE A 37 -11.780 -0.472 -6.242 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.525 1.214 -6.051 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -10.401 -1.276 -4.570 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.921 -0.426 -4.174 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -10.353 2.345 -4.987 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -11.219 -0.818 -2.269 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -11.611 3.906 -3.573 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.471 0.746 -0.848 1.00 0.00 H new ATOM 0 HZ PHE A 37 -12.671 3.112 -1.500 1.00 0.00 H new ATOM 632 N SER A 38 -8.942 -1.871 -7.114 1.00 0.00 N ATOM 633 CA SER A 38 -7.958 -2.674 -7.835 1.00 0.00 C ATOM 634 C SER A 38 -7.734 -2.098 -9.233 1.00 0.00 C ATOM 635 O SER A 38 -6.640 -2.191 -9.794 1.00 0.00 O ATOM 636 CB SER A 38 -8.413 -4.133 -7.918 1.00 0.00 C ATOM 637 OG SER A 38 -9.726 -4.229 -8.438 1.00 0.00 O ATOM 0 H SER A 38 -9.819 -2.352 -6.912 1.00 0.00 H new ATOM 0 HA SER A 38 -7.014 -2.644 -7.291 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.726 -4.696 -8.550 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.377 -4.585 -6.927 1.00 0.00 H new ATOM 0 HG SER A 38 -10.357 -4.387 -7.705 1.00 0.00 H new ATOM 643 N ASN A 39 -8.785 -1.494 -9.773 1.00 0.00 N ATOM 644 CA ASN A 39 -8.730 -0.802 -11.057 1.00 0.00 C ATOM 645 C ASN A 39 -7.652 0.278 -11.023 1.00 0.00 C ATOM 646 O ASN A 39 -6.798 0.359 -11.908 1.00 0.00 O ATOM 647 CB ASN A 39 -10.091 -0.162 -11.341 1.00 0.00 C ATOM 648 CG ASN A 39 -10.269 0.284 -12.774 1.00 0.00 C ATOM 649 OD1 ASN A 39 -9.856 1.377 -13.159 1.00 0.00 O ATOM 650 ND2 ASN A 39 -10.928 -0.548 -13.561 1.00 0.00 N ATOM 0 H ASN A 39 -9.704 -1.470 -9.332 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.488 -1.517 -11.843 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.876 -0.876 -11.092 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.222 0.698 -10.684 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.113 -0.294 -14.531 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.252 -1.445 -13.198 1.00 0.00 H new ATOM 657 N VAL A 40 -7.695 1.097 -9.977 1.00 0.00 N ATOM 658 CA VAL A 40 -6.722 2.162 -9.786 1.00 0.00 C ATOM 659 C VAL A 40 -5.357 1.587 -9.414 1.00 0.00 C ATOM 660 O VAL A 40 -4.323 2.074 -9.871 1.00 0.00 O ATOM 661 CB VAL A 40 -7.182 3.154 -8.693 1.00 0.00 C ATOM 662 CG1 VAL A 40 -6.202 4.307 -8.550 1.00 0.00 C ATOM 663 CG2 VAL A 40 -8.573 3.681 -9.003 1.00 0.00 C ATOM 0 H VAL A 40 -8.401 1.040 -9.243 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.639 2.700 -10.730 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.213 2.616 -7.745 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.552 4.988 -7.774 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.221 3.919 -8.276 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.129 4.842 -9.497 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -8.880 4.378 -8.223 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.562 4.195 -9.964 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.276 2.849 -9.044 1.00 0.00 H new ATOM 673 N LEU A 41 -5.357 0.533 -8.605 1.00 0.00 N ATOM 674 CA LEU A 41 -4.114 -0.119 -8.195 1.00 0.00 C ATOM 675 C LEU A 41 -3.366 -0.691 -9.398 1.00 0.00 C ATOM 676 O LEU A 41 -2.144 -0.830 -9.369 1.00 0.00 O ATOM 677 CB LEU A 41 -4.390 -1.234 -7.179 1.00 0.00 C ATOM 678 CG LEU A 41 -4.944 -0.774 -5.828 1.00 0.00 C ATOM 679 CD1 LEU A 41 -5.166 -1.966 -4.908 1.00 0.00 C ATOM 680 CD2 LEU A 41 -4.008 0.234 -5.178 1.00 0.00 C ATOM 0 H LEU A 41 -6.202 0.111 -8.219 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.488 0.640 -7.726 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.096 -1.937 -7.621 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.463 -1.780 -7.005 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.904 -0.288 -6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.560 -1.620 -3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.878 -2.652 -5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.219 -2.481 -4.745 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.421 0.548 -4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.032 -0.225 -5.020 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.900 1.102 -5.828 1.00 0.00 H new ATOM 692 N SER A 42 -4.099 -0.997 -10.465 1.00 0.00 N ATOM 693 CA SER A 42 -3.499 -1.547 -11.677 1.00 0.00 C ATOM 694 C SER A 42 -2.816 -0.455 -12.508 1.00 0.00 C ATOM 695 O SER A 42 -2.334 -0.707 -13.614 1.00 0.00 O ATOM 696 CB SER A 42 -4.564 -2.259 -12.514 1.00 0.00 C ATOM 697 OG SER A 42 -5.177 -3.304 -11.775 1.00 0.00 O ATOM 0 H SER A 42 -5.110 -0.873 -10.515 1.00 0.00 H new ATOM 0 HA SER A 42 -2.736 -2.266 -11.378 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.321 -1.542 -12.833 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.110 -2.666 -13.417 1.00 0.00 H new ATOM 0 HG SER A 42 -5.712 -2.921 -11.049 1.00 0.00 H new ATOM 703 N ARG A 43 -2.795 0.760 -11.976 1.00 0.00 N ATOM 704 CA ARG A 43 -2.081 1.860 -12.606 1.00 0.00 C ATOM 705 C ARG A 43 -1.414 2.725 -11.542 1.00 0.00 C ATOM 706 O ARG A 43 -0.995 3.852 -11.805 1.00 0.00 O ATOM 707 CB ARG A 43 -3.029 2.697 -13.474 1.00 0.00 C ATOM 708 CG ARG A 43 -4.148 3.378 -12.706 1.00 0.00 C ATOM 709 CD ARG A 43 -5.145 4.023 -13.649 1.00 0.00 C ATOM 710 NE ARG A 43 -6.164 4.788 -12.935 1.00 0.00 N ATOM 711 CZ ARG A 43 -7.436 4.404 -12.814 1.00 0.00 C ATOM 712 NH1 ARG A 43 -7.832 3.237 -13.311 1.00 0.00 N ATOM 713 NH2 ARG A 43 -8.310 5.187 -12.196 1.00 0.00 N ATOM 0 H ARG A 43 -3.267 1.008 -11.106 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.308 1.449 -13.256 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.448 3.458 -13.995 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.468 2.053 -14.236 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.658 2.648 -12.077 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.729 4.134 -12.042 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.617 4.681 -14.339 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.627 3.251 -14.249 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.886 5.669 -12.503 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.163 2.632 -13.787 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.805 2.946 -13.217 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.010 6.083 -11.813 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.282 4.893 -12.104 1.00 0.00 H new ATOM 727 N LEU A 44 -1.295 2.172 -10.344 1.00 0.00 N ATOM 728 CA LEU A 44 -0.697 2.883 -9.228 1.00 0.00 C ATOM 729 C LEU A 44 0.593 2.186 -8.805 1.00 0.00 C ATOM 730 O LEU A 44 0.732 1.730 -7.669 1.00 0.00 O ATOM 731 CB LEU A 44 -1.685 2.956 -8.056 1.00 0.00 C ATOM 732 CG LEU A 44 -1.262 3.846 -6.889 1.00 0.00 C ATOM 733 CD1 LEU A 44 -1.130 5.293 -7.339 1.00 0.00 C ATOM 734 CD2 LEU A 44 -2.263 3.731 -5.750 1.00 0.00 C ATOM 0 H LEU A 44 -1.607 1.227 -10.121 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.459 3.901 -9.536 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.643 3.314 -8.434 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.848 1.946 -7.679 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.288 3.510 -6.532 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.828 5.911 -6.493 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.379 5.362 -8.126 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.089 5.644 -7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.950 4.370 -4.924 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.248 4.044 -6.098 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.310 2.696 -5.410 1.00 0.00 H new ATOM 746 N TYR A 45 1.531 2.091 -9.735 1.00 0.00 N ATOM 747 CA TYR A 45 2.796 1.422 -9.474 1.00 0.00 C ATOM 748 C TYR A 45 3.777 2.369 -8.797 1.00 0.00 C ATOM 749 O TYR A 45 4.508 3.108 -9.457 1.00 0.00 O ATOM 750 CB TYR A 45 3.405 0.875 -10.769 1.00 0.00 C ATOM 751 CG TYR A 45 2.629 -0.270 -11.381 1.00 0.00 C ATOM 752 CD1 TYR A 45 1.503 -0.040 -12.164 1.00 0.00 C ATOM 753 CD2 TYR A 45 3.029 -1.583 -11.180 1.00 0.00 C ATOM 754 CE1 TYR A 45 0.798 -1.088 -12.723 1.00 0.00 C ATOM 755 CE2 TYR A 45 2.330 -2.636 -11.735 1.00 0.00 C ATOM 756 CZ TYR A 45 1.215 -2.385 -12.506 1.00 0.00 C ATOM 757 OH TYR A 45 0.515 -3.432 -13.062 1.00 0.00 O ATOM 0 H TYR A 45 1.440 2.469 -10.678 1.00 0.00 H new ATOM 0 HA TYR A 45 2.597 0.585 -8.804 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.472 1.684 -11.496 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.423 0.543 -10.567 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.175 0.974 -12.338 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.903 -1.785 -10.579 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.076 -0.893 -13.327 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.655 -3.652 -11.566 1.00 0.00 H new ATOM 0 HH TYR A 45 0.941 -4.279 -12.813 1.00 0.00 H new ATOM 767 N VAL A 46 3.780 2.356 -7.477 1.00 0.00 N ATOM 768 CA VAL A 46 4.698 3.179 -6.709 1.00 0.00 C ATOM 769 C VAL A 46 5.962 2.378 -6.409 1.00 0.00 C ATOM 770 O VAL A 46 5.903 1.159 -6.281 1.00 0.00 O ATOM 771 CB VAL A 46 4.040 3.679 -5.399 1.00 0.00 C ATOM 772 CG1 VAL A 46 3.696 2.521 -4.472 1.00 0.00 C ATOM 773 CG2 VAL A 46 4.925 4.693 -4.694 1.00 0.00 C ATOM 0 H VAL A 46 3.154 1.782 -6.912 1.00 0.00 H new ATOM 0 HA VAL A 46 4.960 4.059 -7.297 1.00 0.00 H new ATOM 0 HB VAL A 46 3.108 4.175 -5.670 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.236 2.907 -3.562 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.000 1.848 -4.973 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.605 1.977 -4.216 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.438 5.026 -3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.882 4.233 -4.449 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.091 5.549 -5.349 1.00 0.00 H new ATOM 783 N GLY A 47 7.102 3.045 -6.334 1.00 0.00 N ATOM 784 CA GLY A 47 8.343 2.335 -6.114 1.00 0.00 C ATOM 785 C GLY A 47 9.189 2.946 -5.027 1.00 0.00 C ATOM 786 O GLY A 47 10.382 3.175 -5.215 1.00 0.00 O ATOM 0 H GLY A 47 7.191 4.057 -6.421 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.121 1.300 -5.855 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.913 2.316 -7.043 1.00 0.00 H new ATOM 790 N VAL A 48 8.577 3.208 -3.894 1.00 0.00 N ATOM 791 CA VAL A 48 9.302 3.738 -2.745 1.00 0.00 C ATOM 792 C VAL A 48 8.993 2.934 -1.481 1.00 0.00 C ATOM 793 O VAL A 48 7.831 2.668 -1.170 1.00 0.00 O ATOM 794 CB VAL A 48 8.999 5.236 -2.492 1.00 0.00 C ATOM 795 CG1 VAL A 48 9.545 6.096 -3.624 1.00 0.00 C ATOM 796 CG2 VAL A 48 7.505 5.477 -2.314 1.00 0.00 C ATOM 0 H VAL A 48 7.579 3.065 -3.737 1.00 0.00 H new ATOM 0 HA VAL A 48 10.361 3.646 -2.984 1.00 0.00 H new ATOM 0 HB VAL A 48 9.499 5.522 -1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.321 7.144 -3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.625 5.963 -3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.081 5.798 -4.564 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.326 6.538 -2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.976 5.164 -3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.143 4.902 -1.462 1.00 0.00 H new ATOM 806 N PRO A 49 10.042 2.492 -0.771 1.00 0.00 N ATOM 807 CA PRO A 49 9.907 1.826 0.529 1.00 0.00 C ATOM 808 C PRO A 49 9.394 2.784 1.600 1.00 0.00 C ATOM 809 O PRO A 49 9.884 3.908 1.729 1.00 0.00 O ATOM 810 CB PRO A 49 11.336 1.367 0.858 1.00 0.00 C ATOM 811 CG PRO A 49 12.070 1.442 -0.435 1.00 0.00 C ATOM 812 CD PRO A 49 11.448 2.580 -1.185 1.00 0.00 C ATOM 0 HA PRO A 49 9.189 1.006 0.498 1.00 0.00 H new ATOM 0 HB2 PRO A 49 11.794 2.010 1.610 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.343 0.353 1.258 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.134 1.614 -0.272 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.980 0.509 -0.992 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.893 3.538 -0.915 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.563 2.468 -2.263 1.00 0.00 H new ATOM 820 N THR A 50 8.412 2.337 2.365 1.00 0.00 N ATOM 821 CA THR A 50 7.758 3.185 3.346 1.00 0.00 C ATOM 822 C THR A 50 7.608 2.486 4.696 1.00 0.00 C ATOM 823 O THR A 50 8.014 1.338 4.860 1.00 0.00 O ATOM 824 CB THR A 50 6.372 3.608 2.839 1.00 0.00 C ATOM 825 OG1 THR A 50 5.757 2.511 2.142 1.00 0.00 O ATOM 826 CG2 THR A 50 6.466 4.824 1.926 1.00 0.00 C ATOM 0 H THR A 50 8.049 1.385 2.324 1.00 0.00 H new ATOM 0 HA THR A 50 8.389 4.063 3.486 1.00 0.00 H new ATOM 0 HB THR A 50 5.760 3.882 3.698 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.872 2.783 1.821 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.469 5.100 1.583 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.904 5.658 2.474 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.092 4.586 1.066 1.00 0.00 H new ATOM 834 N LYS A 51 7.024 3.193 5.659 1.00 0.00 N ATOM 835 CA LYS A 51 6.786 2.641 6.985 1.00 0.00 C ATOM 836 C LYS A 51 5.288 2.628 7.277 1.00 0.00 C ATOM 837 O LYS A 51 4.511 3.228 6.538 1.00 0.00 O ATOM 838 CB LYS A 51 7.540 3.454 8.042 1.00 0.00 C ATOM 839 CG LYS A 51 9.042 3.488 7.806 1.00 0.00 C ATOM 840 CD LYS A 51 9.780 4.280 8.875 1.00 0.00 C ATOM 841 CE LYS A 51 9.362 5.744 8.897 1.00 0.00 C ATOM 842 NZ LYS A 51 10.189 6.541 9.846 1.00 0.00 N ATOM 0 H LYS A 51 6.706 4.155 5.543 1.00 0.00 H new ATOM 0 HA LYS A 51 7.156 1.616 7.019 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.156 4.474 8.050 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.342 3.031 9.027 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.426 2.468 7.783 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.244 3.927 6.829 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.589 3.835 9.851 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.853 4.213 8.698 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.453 6.163 7.895 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.312 5.818 9.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.874 7.532 9.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.083 6.157 10.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.188 6.491 9.562 1.00 0.00 H new ATOM 856 N SER A 52 4.889 1.961 8.352 1.00 0.00 N ATOM 857 CA SER A 52 3.472 1.754 8.646 1.00 0.00 C ATOM 858 C SER A 52 2.727 3.076 8.804 1.00 0.00 C ATOM 859 O SER A 52 3.150 3.958 9.556 1.00 0.00 O ATOM 860 CB SER A 52 3.308 0.914 9.914 1.00 0.00 C ATOM 861 OG SER A 52 1.966 0.479 10.069 1.00 0.00 O ATOM 0 H SER A 52 5.525 1.553 9.037 1.00 0.00 H new ATOM 0 HA SER A 52 3.039 1.222 7.799 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.971 0.050 9.870 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.606 1.500 10.783 1.00 0.00 H new ATOM 0 HG SER A 52 1.888 -0.057 10.886 1.00 0.00 H new ATOM 867 N GLY A 53 1.623 3.207 8.084 1.00 0.00 N ATOM 868 CA GLY A 53 0.790 4.384 8.200 1.00 0.00 C ATOM 869 C GLY A 53 1.112 5.428 7.154 1.00 0.00 C ATOM 870 O GLY A 53 0.887 6.619 7.373 1.00 0.00 O ATOM 0 H GLY A 53 1.288 2.512 7.416 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.257 4.094 8.109 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.916 4.818 9.192 1.00 0.00 H new ATOM 874 N ASN A 54 1.636 4.986 6.018 1.00 0.00 N ATOM 875 CA ASN A 54 1.997 5.904 4.941 1.00 0.00 C ATOM 876 C ASN A 54 0.874 5.979 3.915 1.00 0.00 C ATOM 877 O ASN A 54 0.283 4.960 3.562 1.00 0.00 O ATOM 878 CB ASN A 54 3.306 5.477 4.260 1.00 0.00 C ATOM 879 CG ASN A 54 3.183 4.185 3.471 1.00 0.00 C ATOM 880 OD1 ASN A 54 2.834 4.189 2.293 1.00 0.00 O ATOM 881 ND2 ASN A 54 3.488 3.071 4.113 1.00 0.00 N ATOM 0 H ASN A 54 1.820 4.003 5.817 1.00 0.00 H new ATOM 0 HA ASN A 54 2.149 6.891 5.378 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.635 6.272 3.591 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.080 5.358 5.019 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.438 2.174 3.630 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.774 3.108 5.091 1.00 0.00 H new ATOM 888 N VAL A 55 0.573 7.183 3.450 1.00 0.00 N ATOM 889 CA VAL A 55 -0.469 7.370 2.450 1.00 0.00 C ATOM 890 C VAL A 55 0.038 6.982 1.064 1.00 0.00 C ATOM 891 O VAL A 55 0.987 7.574 0.550 1.00 0.00 O ATOM 892 CB VAL A 55 -0.986 8.830 2.406 1.00 0.00 C ATOM 893 CG1 VAL A 55 -1.908 9.040 1.217 1.00 0.00 C ATOM 894 CG2 VAL A 55 -1.715 9.197 3.688 1.00 0.00 C ATOM 0 H VAL A 55 1.034 8.043 3.748 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.296 6.722 2.740 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.117 9.479 2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.259 10.072 1.206 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.366 8.832 0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.762 8.367 1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.065 10.227 3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.567 8.532 3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.036 9.096 4.535 1.00 0.00 H new ATOM 904 N VAL A 56 -0.596 5.980 0.474 1.00 0.00 N ATOM 905 CA VAL A 56 -0.287 5.579 -0.887 1.00 0.00 C ATOM 906 C VAL A 56 -1.113 6.412 -1.859 1.00 0.00 C ATOM 907 O VAL A 56 -0.571 7.109 -2.716 1.00 0.00 O ATOM 908 CB VAL A 56 -0.580 4.079 -1.121 1.00 0.00 C ATOM 909 CG1 VAL A 56 -0.170 3.662 -2.525 1.00 0.00 C ATOM 910 CG2 VAL A 56 0.122 3.222 -0.079 1.00 0.00 C ATOM 0 H VAL A 56 -1.330 5.429 0.919 1.00 0.00 H new ATOM 0 HA VAL A 56 0.777 5.745 -1.054 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.654 3.924 -1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.385 2.603 -2.667 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.728 4.247 -3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.898 3.837 -2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.099 2.171 -0.264 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.198 3.383 -0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.230 3.497 0.915 1.00 0.00 H new ATOM 920 N CYS A 57 -2.428 6.349 -1.705 1.00 0.00 N ATOM 921 CA CYS A 57 -3.330 7.141 -2.523 1.00 0.00 C ATOM 922 C CYS A 57 -4.335 7.868 -1.634 1.00 0.00 C ATOM 923 O CYS A 57 -5.215 7.246 -1.026 1.00 0.00 O ATOM 924 CB CYS A 57 -4.045 6.253 -3.546 1.00 0.00 C ATOM 925 SG CYS A 57 -4.866 7.163 -4.877 1.00 0.00 S ATOM 0 H CYS A 57 -2.893 5.755 -1.018 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.752 7.885 -3.071 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.320 5.567 -3.984 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.786 5.645 -3.027 1.00 0.00 H new ATOM 0 HG CYS A 57 -5.064 6.369 -5.887 1.00 0.00 H new ATOM 931 N LYS A 58 -4.182 9.178 -1.539 1.00 0.00 N ATOM 932 CA LYS A 58 -5.031 10.002 -0.691 1.00 0.00 C ATOM 933 C LYS A 58 -6.315 10.358 -1.441 1.00 0.00 C ATOM 934 O LYS A 58 -6.259 10.978 -2.505 1.00 0.00 O ATOM 935 CB LYS A 58 -4.259 11.263 -0.272 1.00 0.00 C ATOM 936 CG LYS A 58 -4.830 11.994 0.938 1.00 0.00 C ATOM 937 CD LYS A 58 -6.049 12.817 0.575 1.00 0.00 C ATOM 938 CE LYS A 58 -6.601 13.576 1.771 1.00 0.00 C ATOM 939 NZ LYS A 58 -7.264 12.680 2.754 1.00 0.00 N ATOM 0 H LYS A 58 -3.468 9.701 -2.046 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.308 9.454 0.210 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.227 10.985 -0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.233 11.953 -1.116 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.097 11.270 1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.066 12.645 1.363 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.788 13.523 -0.213 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.822 12.162 0.173 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.790 14.113 2.263 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.315 14.323 1.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.548 13.231 3.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.106 12.250 2.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.603 11.931 3.042 1.00 0.00 H new ATOM 953 N ASN A 59 -7.463 9.951 -0.888 1.00 0.00 N ATOM 954 CA ASN A 59 -8.762 10.177 -1.529 1.00 0.00 C ATOM 955 C ASN A 59 -8.779 9.554 -2.917 1.00 0.00 C ATOM 956 O ASN A 59 -9.160 10.197 -3.896 1.00 0.00 O ATOM 957 CB ASN A 59 -9.088 11.673 -1.608 1.00 0.00 C ATOM 958 CG ASN A 59 -9.594 12.226 -0.291 1.00 0.00 C ATOM 959 OD1 ASN A 59 -9.258 11.725 0.782 1.00 0.00 O ATOM 960 ND2 ASN A 59 -10.406 13.268 -0.367 1.00 0.00 N ATOM 0 H ASN A 59 -7.518 9.462 0.005 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.529 9.700 -0.919 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.195 12.221 -1.910 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -9.839 11.838 -2.380 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.779 13.687 0.485 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.659 13.652 -1.277 1.00 0.00 H new ATOM 967 N ILE A 60 -8.387 8.282 -2.962 1.00 0.00 N ATOM 968 CA ILE A 60 -8.206 7.539 -4.208 1.00 0.00 C ATOM 969 C ILE A 60 -9.405 7.671 -5.154 1.00 0.00 C ATOM 970 O ILE A 60 -9.245 8.003 -6.327 1.00 0.00 O ATOM 971 CB ILE A 60 -7.919 6.042 -3.912 1.00 0.00 C ATOM 972 CG1 ILE A 60 -7.871 5.230 -5.207 1.00 0.00 C ATOM 973 CG2 ILE A 60 -8.949 5.465 -2.949 1.00 0.00 C ATOM 974 CD1 ILE A 60 -7.533 3.768 -4.997 1.00 0.00 C ATOM 0 H ILE A 60 -8.184 7.733 -2.127 1.00 0.00 H new ATOM 0 HA ILE A 60 -7.347 7.979 -4.715 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.941 5.978 -3.434 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.837 5.302 -5.707 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.132 5.672 -5.876 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.723 4.416 -2.760 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.919 6.017 -2.010 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -9.944 5.549 -3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.517 3.256 -5.959 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.554 3.685 -4.526 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.285 3.309 -4.355 1.00 0.00 H new ATOM 986 N MET A 61 -10.602 7.430 -4.640 1.00 0.00 N ATOM 987 CA MET A 61 -11.803 7.473 -5.461 1.00 0.00 C ATOM 988 C MET A 61 -12.869 8.335 -4.804 1.00 0.00 C ATOM 989 O MET A 61 -14.037 7.950 -4.735 1.00 0.00 O ATOM 990 CB MET A 61 -12.330 6.055 -5.710 1.00 0.00 C ATOM 991 CG MET A 61 -11.430 5.220 -6.612 1.00 0.00 C ATOM 992 SD MET A 61 -11.312 5.881 -8.288 1.00 0.00 S ATOM 993 CE MET A 61 -12.998 5.671 -8.861 1.00 0.00 C ATOM 0 H MET A 61 -10.768 7.203 -3.659 1.00 0.00 H new ATOM 0 HA MET A 61 -11.550 7.920 -6.422 1.00 0.00 H new ATOM 0 HB2 MET A 61 -12.445 5.546 -4.753 1.00 0.00 H new ATOM 0 HB3 MET A 61 -13.322 6.118 -6.158 1.00 0.00 H new ATOM 0 HG2 MET A 61 -10.433 5.169 -6.175 1.00 0.00 H new ATOM 0 HG3 MET A 61 -11.812 4.200 -6.655 1.00 0.00 H new ATOM 0 HE1 MET A 61 -13.022 5.726 -9.949 1.00 0.00 H new ATOM 0 HE2 MET A 61 -13.374 4.700 -8.538 1.00 0.00 H new ATOM 0 HE3 MET A 61 -13.625 6.459 -8.444 1.00 0.00 H new ATOM 1003 N ASN A 62 -12.444 9.505 -4.318 1.00 0.00 N ATOM 1004 CA ASN A 62 -13.353 10.484 -3.706 1.00 0.00 C ATOM 1005 C ASN A 62 -14.064 9.893 -2.492 1.00 0.00 C ATOM 1006 O ASN A 62 -15.176 10.292 -2.154 1.00 0.00 O ATOM 1007 CB ASN A 62 -14.387 10.974 -4.732 1.00 0.00 C ATOM 1008 CG ASN A 62 -13.761 11.746 -5.879 1.00 0.00 C ATOM 1009 OD1 ASN A 62 -13.352 11.162 -6.882 1.00 0.00 O ATOM 1010 ND2 ASN A 62 -13.700 13.064 -5.752 1.00 0.00 N ATOM 0 H ASN A 62 -11.468 9.801 -4.336 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.753 11.331 -3.373 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -14.930 10.117 -5.131 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -15.117 11.608 -4.230 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -13.303 13.631 -6.502 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.050 13.511 -4.905 1.00 0.00 H new ATOM 1017 N THR A 63 -13.402 8.961 -1.823 1.00 0.00 N ATOM 1018 CA THR A 63 -13.989 8.267 -0.690 1.00 0.00 C ATOM 1019 C THR A 63 -13.781 9.036 0.612 1.00 0.00 C ATOM 1020 O THR A 63 -14.493 8.822 1.594 1.00 0.00 O ATOM 1021 CB THR A 63 -13.373 6.863 -0.549 1.00 0.00 C ATOM 1022 OG1 THR A 63 -11.939 6.958 -0.591 1.00 0.00 O ATOM 1023 CG2 THR A 63 -13.854 5.944 -1.660 1.00 0.00 C ATOM 0 H THR A 63 -12.452 8.667 -2.048 1.00 0.00 H new ATOM 0 HA THR A 63 -15.060 8.188 -0.877 1.00 0.00 H new ATOM 0 HB THR A 63 -13.688 6.444 0.407 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.554 6.060 -0.660 1.00 0.00 H new ATOM 0 HG21 THR A 63 -13.404 4.959 -1.537 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.939 5.856 -1.615 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.564 6.358 -2.626 1.00 0.00 H new ATOM 1031 N GLY A 64 -12.801 9.933 0.612 1.00 0.00 N ATOM 1032 CA GLY A 64 -12.409 10.601 1.839 1.00 0.00 C ATOM 1033 C GLY A 64 -11.537 9.701 2.689 1.00 0.00 C ATOM 1034 O GLY A 64 -11.240 10.005 3.843 1.00 0.00 O ATOM 0 H GLY A 64 -12.272 10.209 -0.215 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.870 11.518 1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.297 10.889 2.401 1.00 0.00 H new ATOM 1038 N VAL A 65 -11.143 8.577 2.106 1.00 0.00 N ATOM 1039 CA VAL A 65 -10.312 7.594 2.778 1.00 0.00 C ATOM 1040 C VAL A 65 -8.885 7.673 2.263 1.00 0.00 C ATOM 1041 O VAL A 65 -8.652 7.832 1.061 1.00 0.00 O ATOM 1042 CB VAL A 65 -10.861 6.165 2.554 1.00 0.00 C ATOM 1043 CG1 VAL A 65 -9.919 5.112 3.115 1.00 0.00 C ATOM 1044 CG2 VAL A 65 -12.241 6.018 3.169 1.00 0.00 C ATOM 0 H VAL A 65 -11.393 8.323 1.150 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.326 7.814 3.846 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.938 6.008 1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.336 4.120 2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.950 5.190 2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.794 5.269 4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.609 5.006 3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.184 6.209 4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.923 6.733 2.709 1.00 0.00 H new ATOM 1054 N ASP A 66 -7.944 7.566 3.178 1.00 0.00 N ATOM 1055 CA ASP A 66 -6.538 7.577 2.842 1.00 0.00 C ATOM 1056 C ASP A 66 -6.040 6.143 2.765 1.00 0.00 C ATOM 1057 O ASP A 66 -5.922 5.465 3.789 1.00 0.00 O ATOM 1058 CB ASP A 66 -5.741 8.353 3.899 1.00 0.00 C ATOM 1059 CG ASP A 66 -6.289 9.748 4.150 1.00 0.00 C ATOM 1060 OD1 ASP A 66 -7.302 9.877 4.870 1.00 0.00 O ATOM 1061 OD2 ASP A 66 -5.700 10.724 3.643 1.00 0.00 O ATOM 0 H ASP A 66 -8.134 7.469 4.175 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.399 8.069 1.879 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.747 7.793 4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.702 8.429 3.579 1.00 0.00 H new ATOM 1066 N ILE A 67 -5.792 5.664 1.553 1.00 0.00 N ATOM 1067 CA ILE A 67 -5.288 4.312 1.367 1.00 0.00 C ATOM 1068 C ILE A 67 -3.840 4.250 1.817 1.00 0.00 C ATOM 1069 O ILE A 67 -2.948 4.783 1.155 1.00 0.00 O ATOM 1070 CB ILE A 67 -5.405 3.847 -0.101 1.00 0.00 C ATOM 1071 CG1 ILE A 67 -6.868 3.870 -0.552 1.00 0.00 C ATOM 1072 CG2 ILE A 67 -4.816 2.452 -0.277 1.00 0.00 C ATOM 1073 CD1 ILE A 67 -7.785 2.994 0.279 1.00 0.00 C ATOM 0 H ILE A 67 -5.931 6.189 0.689 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.898 3.639 1.970 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.836 4.537 -0.724 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -7.232 4.897 -0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.922 3.550 -1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.910 2.146 -1.319 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.763 2.464 0.004 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.353 1.747 0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.803 3.066 -0.105 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.448 1.959 0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.764 3.327 1.317 1.00 0.00 H new ATOM 1085 N ILE A 68 -3.619 3.617 2.953 1.00 0.00 N ATOM 1086 CA ILE A 68 -2.317 3.630 3.585 1.00 0.00 C ATOM 1087 C ILE A 68 -1.687 2.245 3.620 1.00 0.00 C ATOM 1088 O ILE A 68 -2.376 1.235 3.765 1.00 0.00 O ATOM 1089 CB ILE A 68 -2.389 4.187 5.024 1.00 0.00 C ATOM 1090 CG1 ILE A 68 -3.385 3.384 5.871 1.00 0.00 C ATOM 1091 CG2 ILE A 68 -2.759 5.664 5.006 1.00 0.00 C ATOM 1092 CD1 ILE A 68 -3.445 3.828 7.318 1.00 0.00 C ATOM 0 H ILE A 68 -4.328 3.086 3.458 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.693 4.285 2.977 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.404 4.087 5.480 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.378 3.473 5.431 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.113 2.329 5.834 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.805 6.040 6.028 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.006 6.221 4.448 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.731 5.790 4.529 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.169 3.217 7.856 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.462 3.713 7.775 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.747 4.874 7.365 1.00 0.00 H new ATOM 1104 N CYS A 69 -0.376 2.213 3.475 1.00 0.00 N ATOM 1105 CA CYS A 69 0.385 0.988 3.636 1.00 0.00 C ATOM 1106 C CYS A 69 0.800 0.849 5.094 1.00 0.00 C ATOM 1107 O CYS A 69 1.130 1.839 5.751 1.00 0.00 O ATOM 1108 CB CYS A 69 1.612 1.001 2.724 1.00 0.00 C ATOM 1109 SG CYS A 69 2.818 -0.299 3.075 1.00 0.00 S ATOM 0 H CYS A 69 0.189 3.030 3.244 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.232 0.135 3.355 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.282 0.904 1.690 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.104 1.970 2.812 1.00 0.00 H new ATOM 0 HG CYS A 69 3.546 0.048 4.094 1.00 0.00 H new ATOM 1115 N THR A 70 0.776 -0.368 5.604 1.00 0.00 N ATOM 1116 CA THR A 70 1.037 -0.592 7.013 1.00 0.00 C ATOM 1117 C THR A 70 2.246 -1.504 7.214 1.00 0.00 C ATOM 1118 O THR A 70 2.567 -1.898 8.336 1.00 0.00 O ATOM 1119 CB THR A 70 -0.216 -1.191 7.692 1.00 0.00 C ATOM 1120 OG1 THR A 70 -0.033 -1.284 9.111 1.00 0.00 O ATOM 1121 CG2 THR A 70 -0.541 -2.569 7.119 1.00 0.00 C ATOM 0 H THR A 70 0.580 -1.213 5.067 1.00 0.00 H new ATOM 0 HA THR A 70 1.267 0.367 7.476 1.00 0.00 H new ATOM 0 HB THR A 70 -1.053 -0.522 7.490 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.678 -0.670 9.390 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.426 -2.969 7.613 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.730 -2.483 6.049 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.302 -3.240 7.285 1.00 0.00 H new ATOM 1129 N LYS A 71 2.929 -1.822 6.130 1.00 0.00 N ATOM 1130 CA LYS A 71 4.129 -2.629 6.216 1.00 0.00 C ATOM 1131 C LYS A 71 5.350 -1.728 6.101 1.00 0.00 C ATOM 1132 O LYS A 71 5.304 -0.701 5.428 1.00 0.00 O ATOM 1133 CB LYS A 71 4.142 -3.693 5.116 1.00 0.00 C ATOM 1134 CG LYS A 71 5.265 -4.711 5.257 1.00 0.00 C ATOM 1135 CD LYS A 71 5.246 -5.727 4.127 1.00 0.00 C ATOM 1136 CE LYS A 71 6.278 -6.825 4.340 1.00 0.00 C ATOM 1137 NZ LYS A 71 6.020 -7.604 5.584 1.00 0.00 N ATOM 0 H LYS A 71 2.674 -1.535 5.185 1.00 0.00 H new ATOM 0 HA LYS A 71 4.149 -3.141 7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.187 -4.218 5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.231 -3.200 4.148 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.225 -4.195 5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.171 -5.227 6.212 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.253 -6.170 4.053 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.441 -5.223 3.181 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.272 -7.499 3.483 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.273 -6.382 4.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.562 -8.491 5.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.313 -7.045 6.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.005 -7.820 5.654 1.00 0.00 H new ATOM 1151 N ASN A 72 6.429 -2.093 6.773 1.00 0.00 N ATOM 1152 CA ASN A 72 7.650 -1.302 6.726 1.00 0.00 C ATOM 1153 C ASN A 72 8.605 -1.911 5.711 1.00 0.00 C ATOM 1154 O ASN A 72 9.120 -3.010 5.922 1.00 0.00 O ATOM 1155 CB ASN A 72 8.325 -1.227 8.106 1.00 0.00 C ATOM 1156 CG ASN A 72 7.500 -0.496 9.161 1.00 0.00 C ATOM 1157 OD1 ASN A 72 6.182 -0.651 9.116 1.00 0.00 O flip ATOM 1158 ND2 ASN A 72 8.048 0.200 10.019 1.00 0.00 N flip ATOM 0 H ASN A 72 6.486 -2.928 7.356 1.00 0.00 H new ATOM 0 HA ASN A 72 7.391 -0.286 6.428 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.528 -2.239 8.455 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.288 -0.727 8.002 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.063 0.297 10.025 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.486 0.678 10.723 1.00 0.00 H new ATOM 1165 N LEU A 73 8.818 -1.212 4.606 1.00 0.00 N ATOM 1166 CA LEU A 73 9.645 -1.730 3.522 1.00 0.00 C ATOM 1167 C LEU A 73 11.114 -1.387 3.744 1.00 0.00 C ATOM 1168 O LEU A 73 11.486 -0.213 3.768 1.00 0.00 O ATOM 1169 CB LEU A 73 9.190 -1.177 2.164 1.00 0.00 C ATOM 1170 CG LEU A 73 7.786 -1.584 1.697 1.00 0.00 C ATOM 1171 CD1 LEU A 73 6.712 -0.798 2.434 1.00 0.00 C ATOM 1172 CD2 LEU A 73 7.650 -1.387 0.194 1.00 0.00 C ATOM 0 H LEU A 73 8.430 -0.284 4.435 1.00 0.00 H new ATOM 0 HA LEU A 73 9.530 -2.814 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.234 -0.089 2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.907 -1.496 1.408 1.00 0.00 H new ATOM 0 HG LEU A 73 7.647 -2.640 1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.728 -1.108 2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.791 -0.989 3.504 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.846 0.267 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.649 -1.680 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.816 -0.338 -0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.388 -2.002 -0.322 1.00 0.00 H new ATOM 1184 N PRO A 74 11.961 -2.409 3.925 1.00 0.00 N ATOM 1185 CA PRO A 74 13.406 -2.232 4.057 1.00 0.00 C ATOM 1186 C PRO A 74 14.066 -1.981 2.702 1.00 0.00 C ATOM 1187 O PRO A 74 13.607 -2.488 1.673 1.00 0.00 O ATOM 1188 CB PRO A 74 13.890 -3.567 4.651 1.00 0.00 C ATOM 1189 CG PRO A 74 12.655 -4.362 4.937 1.00 0.00 C ATOM 1190 CD PRO A 74 11.585 -3.818 4.040 1.00 0.00 C ATOM 0 HA PRO A 74 13.659 -1.371 4.675 1.00 0.00 H new ATOM 0 HB2 PRO A 74 14.539 -4.093 3.951 1.00 0.00 H new ATOM 0 HB3 PRO A 74 14.468 -3.403 5.560 1.00 0.00 H new ATOM 0 HG2 PRO A 74 12.822 -5.422 4.744 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.368 -4.270 5.984 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.575 -4.317 3.071 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.592 -3.940 4.472 1.00 0.00 H new