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 -88:sc= 0.0704 USER MOD Set 1.2: A 72 ASN :FLIP amide:sc= -0.115 F(o=-4.4!,f=-0.044) USER MOD Set 2.1: A 59 ASN : amide:sc= 1.58 K(o=2.6,f=-7.6!) USER MOD Set 2.2: A 63 THR OG1 : rot -93:sc= 0.982 USER MOD Set 3.1: A 50 THR OG1 : rot -170:sc= 0.0203 USER MOD Set 3.2: A 54 ASN : amide:sc= -3! C(o=-3!,f=-3.6!) USER MOD Set 4.1: A 18 TYR OH : rot 165:sc= 0.597 USER MOD Set 4.2: A 71 LYS NZ :NH3+ -122:sc= 0.592 (180deg=-0.159) USER MOD Single : A 3 LYS NZ :NH3+ -135:sc= 1.21 (180deg=0.471) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -3:sc= 1.02 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -172:sc= 1.16 (180deg=1.05) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.165 K(o=-0.17,f=-1.5!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -76:sc= 1.75 USER MOD Single : A 26 ASN : amide:sc= -1.52 K(o=-1.5,f=-11!) USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 1.31 (180deg=1.3) USER MOD Single : A 32 SER OG : rot 180:sc= -0.486 USER MOD Single : A 33 LYS NZ :NH3+ 170:sc= -0.0137 (180deg=-0.133) USER MOD Single : A 38 SER OG : rot 22:sc= 1.21 USER MOD Single : A 39 ASN :FLIP amide:sc= -1.47 F(o=-2!,f=-1.5) USER MOD Single : A 42 SER OG : rot 87:sc= 1.27 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 139:sc= 0.601 (180deg=0.365) USER MOD Single : A 57 CYS SG : rot 140:sc= -0.414 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -165:sc= 0 (180deg=-0.0961) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0.029) USER MOD Single : A 69 CYS SG : rot 55:sc= -0.051 USER MOD Single : A 70 THR OG1 : rot -36:sc= 0.442 USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 3 -20.091 -0.769 5.563 1.00 0.00 N ATOM 39 CA LYS A 3 -18.731 -0.322 5.303 1.00 0.00 C ATOM 40 C LYS A 3 -17.747 -1.361 5.847 1.00 0.00 C ATOM 41 O LYS A 3 -17.837 -1.753 7.012 1.00 0.00 O ATOM 42 CB LYS A 3 -18.486 1.029 5.983 1.00 0.00 C ATOM 43 CG LYS A 3 -19.537 2.090 5.682 1.00 0.00 C ATOM 44 CD LYS A 3 -19.240 2.860 4.405 1.00 0.00 C ATOM 45 CE LYS A 3 -20.171 4.055 4.268 1.00 0.00 C ATOM 46 NZ LYS A 3 -19.907 4.850 3.039 1.00 0.00 N ATOM 0 HA LYS A 3 -18.586 -0.208 4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -18.442 0.876 7.061 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.510 1.405 5.674 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -20.514 1.615 5.596 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -19.594 2.787 6.518 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.204 3.199 4.412 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -19.355 2.203 3.543 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -21.204 3.706 4.255 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -20.062 4.697 5.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -19.905 5.863 3.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -18.982 4.584 2.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -20.650 4.660 2.336 1.00 0.00 H new ATOM 60 N ASP A 4 -16.824 -1.820 5.013 1.00 0.00 N ATOM 61 CA ASP A 4 -15.864 -2.841 5.422 1.00 0.00 C ATOM 62 C ASP A 4 -14.444 -2.441 5.028 1.00 0.00 C ATOM 63 O ASP A 4 -14.210 -1.973 3.918 1.00 0.00 O ATOM 64 CB ASP A 4 -16.224 -4.189 4.790 1.00 0.00 C ATOM 65 CG ASP A 4 -15.386 -5.327 5.338 1.00 0.00 C ATOM 66 OD1 ASP A 4 -15.551 -5.664 6.534 1.00 0.00 O ATOM 67 OD2 ASP A 4 -14.573 -5.901 4.585 1.00 0.00 O ATOM 0 H ASP A 4 -16.718 -1.503 4.049 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.907 -2.934 6.507 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -17.279 -4.400 4.967 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -16.088 -4.129 3.710 1.00 0.00 H new ATOM 72 N ILE A 5 -13.506 -2.605 5.955 1.00 0.00 N ATOM 73 CA ILE A 5 -12.102 -2.279 5.704 1.00 0.00 C ATOM 74 C ILE A 5 -11.560 -3.063 4.511 1.00 0.00 C ATOM 75 O ILE A 5 -11.668 -4.289 4.455 1.00 0.00 O ATOM 76 CB ILE A 5 -11.224 -2.567 6.945 1.00 0.00 C ATOM 77 CG1 ILE A 5 -11.602 -1.638 8.101 1.00 0.00 C ATOM 78 CG2 ILE A 5 -9.740 -2.425 6.617 1.00 0.00 C ATOM 79 CD1 ILE A 5 -11.356 -0.172 7.811 1.00 0.00 C ATOM 0 H ILE A 5 -13.692 -2.963 6.892 1.00 0.00 H new ATOM 0 HA ILE A 5 -12.059 -1.213 5.482 1.00 0.00 H new ATOM 0 HB ILE A 5 -11.407 -3.597 7.249 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.656 -1.780 8.339 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -11.034 -1.924 8.986 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -9.149 -2.633 7.509 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -9.472 -3.131 5.831 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.538 -1.409 6.277 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.648 0.424 8.676 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.298 -0.015 7.602 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.945 0.132 6.946 1.00 0.00 H new ATOM 91 N PHE A 6 -10.976 -2.342 3.566 1.00 0.00 N ATOM 92 CA PHE A 6 -10.421 -2.938 2.360 1.00 0.00 C ATOM 93 C PHE A 6 -8.898 -3.028 2.458 1.00 0.00 C ATOM 94 O PHE A 6 -8.211 -2.010 2.553 1.00 0.00 O ATOM 95 CB PHE A 6 -10.833 -2.102 1.141 1.00 0.00 C ATOM 96 CG PHE A 6 -10.270 -2.579 -0.172 1.00 0.00 C ATOM 97 CD1 PHE A 6 -10.797 -3.691 -0.808 1.00 0.00 C ATOM 98 CD2 PHE A 6 -9.221 -1.903 -0.773 1.00 0.00 C ATOM 99 CE1 PHE A 6 -10.286 -4.122 -2.017 1.00 0.00 C ATOM 100 CE2 PHE A 6 -8.709 -2.329 -1.984 1.00 0.00 C ATOM 101 CZ PHE A 6 -9.241 -3.439 -2.606 1.00 0.00 C ATOM 0 H PHE A 6 -10.873 -1.328 3.613 1.00 0.00 H new ATOM 0 HA PHE A 6 -10.812 -3.949 2.249 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -11.921 -2.096 1.073 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -10.518 -1.071 1.302 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -11.617 -4.227 -0.353 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.799 -1.034 -0.290 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -10.704 -4.993 -2.501 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.892 -1.792 -2.443 1.00 0.00 H new ATOM 0 HZ PHE A 6 -8.841 -3.773 -3.552 1.00 0.00 H new ATOM 111 N THR A 7 -8.390 -4.251 2.470 1.00 0.00 N ATOM 112 CA THR A 7 -6.957 -4.499 2.522 1.00 0.00 C ATOM 113 C THR A 7 -6.526 -5.312 1.299 1.00 0.00 C ATOM 114 O THR A 7 -7.244 -6.220 0.870 1.00 0.00 O ATOM 115 CB THR A 7 -6.589 -5.263 3.812 1.00 0.00 C ATOM 116 OG1 THR A 7 -7.235 -4.649 4.936 1.00 0.00 O ATOM 117 CG2 THR A 7 -5.084 -5.277 4.036 1.00 0.00 C ATOM 0 H THR A 7 -8.958 -5.098 2.444 1.00 0.00 H new ATOM 0 HA THR A 7 -6.437 -3.541 2.521 1.00 0.00 H new ATOM 0 HB THR A 7 -6.928 -6.293 3.705 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.002 -5.136 5.754 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.858 -5.822 4.952 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.595 -5.765 3.193 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.720 -4.253 4.124 1.00 0.00 H new ATOM 125 N SER A 8 -5.378 -4.968 0.723 1.00 0.00 N ATOM 126 CA SER A 8 -4.860 -5.669 -0.450 1.00 0.00 C ATOM 127 C SER A 8 -3.356 -5.453 -0.584 1.00 0.00 C ATOM 128 O SER A 8 -2.747 -4.761 0.230 1.00 0.00 O ATOM 129 CB SER A 8 -5.562 -5.180 -1.720 1.00 0.00 C ATOM 130 OG SER A 8 -6.935 -5.530 -1.715 1.00 0.00 O ATOM 0 H SER A 8 -4.786 -4.205 1.050 1.00 0.00 H new ATOM 0 HA SER A 8 -5.056 -6.733 -0.320 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.460 -4.098 -1.801 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.077 -5.612 -2.596 1.00 0.00 H new ATOM 0 HG SER A 8 -7.135 -6.058 -0.914 1.00 0.00 H new ATOM 136 N VAL A 9 -2.762 -6.054 -1.607 1.00 0.00 N ATOM 137 CA VAL A 9 -1.357 -5.826 -1.908 1.00 0.00 C ATOM 138 C VAL A 9 -1.211 -5.165 -3.274 1.00 0.00 C ATOM 139 O VAL A 9 -1.804 -5.605 -4.263 1.00 0.00 O ATOM 140 CB VAL A 9 -0.530 -7.133 -1.860 1.00 0.00 C ATOM 141 CG1 VAL A 9 -0.432 -7.646 -0.433 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.125 -8.199 -2.769 1.00 0.00 C ATOM 0 H VAL A 9 -3.231 -6.701 -2.240 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.964 -5.162 -1.138 1.00 0.00 H new ATOM 0 HB VAL A 9 0.473 -6.908 -2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.153 -8.566 -0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.054 -6.896 0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.432 -7.845 -0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.521 -9.104 -2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.143 -8.422 -2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.138 -7.835 -3.796 1.00 0.00 H new ATOM 152 N VAL A 10 -0.442 -4.090 -3.318 1.00 0.00 N ATOM 153 CA VAL A 10 -0.243 -3.344 -4.550 1.00 0.00 C ATOM 154 C VAL A 10 1.189 -3.545 -5.051 1.00 0.00 C ATOM 155 O VAL A 10 2.081 -3.886 -4.269 1.00 0.00 O ATOM 156 CB VAL A 10 -0.551 -1.836 -4.345 1.00 0.00 C ATOM 157 CG1 VAL A 10 0.471 -1.181 -3.436 1.00 0.00 C ATOM 158 CG2 VAL A 10 -0.637 -1.102 -5.670 1.00 0.00 C ATOM 0 H VAL A 10 0.056 -3.713 -2.512 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.936 -3.721 -5.302 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.525 -1.770 -3.860 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.226 -0.126 -3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.460 -1.671 -2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.463 -1.274 -3.877 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.854 -0.049 -5.489 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.312 -1.192 -6.198 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.432 -1.537 -6.276 1.00 0.00 H new ATOM 168 N ARG A 11 1.396 -3.373 -6.353 1.00 0.00 N ATOM 169 CA ARG A 11 2.715 -3.552 -6.948 1.00 0.00 C ATOM 170 C ARG A 11 3.658 -2.444 -6.502 1.00 0.00 C ATOM 171 O ARG A 11 3.372 -1.255 -6.681 1.00 0.00 O ATOM 172 CB ARG A 11 2.618 -3.587 -8.474 1.00 0.00 C ATOM 173 CG ARG A 11 1.676 -4.662 -8.987 1.00 0.00 C ATOM 174 CD ARG A 11 2.109 -6.047 -8.538 1.00 0.00 C ATOM 175 NE ARG A 11 1.009 -7.008 -8.596 1.00 0.00 N ATOM 176 CZ ARG A 11 1.152 -8.292 -8.926 1.00 0.00 C ATOM 177 NH1 ARG A 11 2.344 -8.768 -9.269 1.00 0.00 N ATOM 178 NH2 ARG A 11 0.100 -9.098 -8.911 1.00 0.00 N ATOM 0 H ARG A 11 0.667 -3.110 -7.016 1.00 0.00 H new ATOM 0 HA ARG A 11 3.116 -4.506 -6.606 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.280 -2.615 -8.833 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.611 -3.753 -8.891 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.666 -4.462 -8.629 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.641 -4.626 -10.076 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.927 -6.394 -9.169 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.492 -5.995 -7.519 1.00 0.00 H new ATOM 0 HE ARG A 11 0.072 -6.675 -8.369 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.156 -8.150 -9.281 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.447 -9.751 -9.520 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.816 -8.736 -8.647 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.207 -10.081 -9.163 1.00 0.00 H new ATOM 192 N VAL A 12 4.777 -2.841 -5.920 1.00 0.00 N ATOM 193 CA VAL A 12 5.716 -1.893 -5.348 1.00 0.00 C ATOM 194 C VAL A 12 6.975 -1.777 -6.206 1.00 0.00 C ATOM 195 O VAL A 12 7.507 -2.775 -6.697 1.00 0.00 O ATOM 196 CB VAL A 12 6.088 -2.293 -3.898 1.00 0.00 C ATOM 197 CG1 VAL A 12 6.708 -3.671 -3.854 1.00 0.00 C ATOM 198 CG2 VAL A 12 7.033 -1.296 -3.269 1.00 0.00 C ATOM 0 H VAL A 12 5.057 -3.818 -5.831 1.00 0.00 H new ATOM 0 HA VAL A 12 5.229 -0.918 -5.325 1.00 0.00 H new ATOM 0 HB VAL A 12 5.160 -2.301 -3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.959 -3.924 -2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.000 -4.401 -4.245 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.613 -3.682 -4.461 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.271 -1.611 -2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.950 -1.243 -3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.561 -0.314 -3.244 1.00 0.00 H new ATOM 208 N ARG A 13 7.427 -0.549 -6.397 1.00 0.00 N ATOM 209 CA ARG A 13 8.645 -0.263 -7.145 1.00 0.00 C ATOM 210 C ARG A 13 9.584 0.586 -6.292 1.00 0.00 C ATOM 211 O ARG A 13 9.277 0.885 -5.138 1.00 0.00 O ATOM 212 CB ARG A 13 8.306 0.473 -8.440 1.00 0.00 C ATOM 213 CG ARG A 13 7.308 -0.263 -9.320 1.00 0.00 C ATOM 214 CD ARG A 13 6.851 0.600 -10.483 1.00 0.00 C ATOM 215 NE ARG A 13 7.957 0.970 -11.361 1.00 0.00 N ATOM 216 CZ ARG A 13 8.186 2.212 -11.783 1.00 0.00 C ATOM 217 NH1 ARG A 13 7.445 3.219 -11.332 1.00 0.00 N ATOM 218 NH2 ARG A 13 9.170 2.456 -12.634 1.00 0.00 N ATOM 0 H ARG A 13 6.959 0.283 -6.037 1.00 0.00 H new ATOM 0 HA ARG A 13 9.139 -1.202 -7.395 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.904 1.456 -8.194 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.224 0.636 -9.005 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.762 -1.178 -9.701 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.445 -0.559 -8.724 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.097 0.063 -11.058 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.376 1.503 -10.099 1.00 0.00 H new ATOM 0 HE ARG A 13 8.592 0.234 -11.669 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.698 3.042 -10.660 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.623 4.169 -11.657 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.756 1.691 -12.969 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.342 3.409 -12.955 1.00 0.00 H new ATOM 232 N GLY A 14 10.736 0.944 -6.839 1.00 0.00 N ATOM 233 CA GLY A 14 11.628 1.853 -6.141 1.00 0.00 C ATOM 234 C GLY A 14 12.891 1.180 -5.642 1.00 0.00 C ATOM 235 O GLY A 14 13.256 0.102 -6.108 1.00 0.00 O ATOM 0 H GLY A 14 11.070 0.625 -7.748 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.899 2.671 -6.809 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.100 2.293 -5.295 1.00 0.00 H new ATOM 239 N SER A 15 13.547 1.808 -4.672 1.00 0.00 N ATOM 240 CA SER A 15 14.823 1.322 -4.153 1.00 0.00 C ATOM 241 C SER A 15 14.627 0.271 -3.056 1.00 0.00 C ATOM 242 O SER A 15 15.554 -0.041 -2.307 1.00 0.00 O ATOM 243 CB SER A 15 15.622 2.499 -3.594 1.00 0.00 C ATOM 244 OG SER A 15 15.447 3.659 -4.394 1.00 0.00 O ATOM 0 H SER A 15 13.213 2.662 -4.225 1.00 0.00 H new ATOM 0 HA SER A 15 15.364 0.851 -4.974 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.304 2.706 -2.572 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.679 2.238 -3.552 1.00 0.00 H new ATOM 0 HG SER A 15 15.966 4.399 -4.015 1.00 0.00 H new ATOM 250 N LYS A 16 13.422 -0.276 -2.966 1.00 0.00 N ATOM 251 CA LYS A 16 13.116 -1.279 -1.953 1.00 0.00 C ATOM 252 C LYS A 16 13.604 -2.661 -2.379 1.00 0.00 C ATOM 253 O LYS A 16 14.150 -2.832 -3.471 1.00 0.00 O ATOM 254 CB LYS A 16 11.604 -1.310 -1.651 1.00 0.00 C ATOM 255 CG LYS A 16 10.695 -1.353 -2.882 1.00 0.00 C ATOM 256 CD LYS A 16 10.925 -2.591 -3.738 1.00 0.00 C ATOM 257 CE LYS A 16 9.953 -2.660 -4.898 1.00 0.00 C ATOM 258 NZ LYS A 16 10.405 -3.596 -5.959 1.00 0.00 N ATOM 0 H LYS A 16 12.642 -0.043 -3.580 1.00 0.00 H new ATOM 0 HA LYS A 16 13.644 -1.000 -1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.391 -2.181 -1.031 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.349 -0.429 -1.061 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.654 -1.326 -2.561 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.865 -0.462 -3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.946 -2.585 -4.119 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.820 -3.484 -3.122 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.976 -2.975 -4.532 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.828 -1.665 -5.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.782 -3.509 -6.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.381 -3.364 -6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.369 -4.571 -5.600 1.00 0.00 H new ATOM 272 N LYS A 17 13.391 -3.641 -1.514 1.00 0.00 N ATOM 273 CA LYS A 17 13.702 -5.024 -1.830 1.00 0.00 C ATOM 274 C LYS A 17 12.465 -5.893 -1.612 1.00 0.00 C ATOM 275 O LYS A 17 12.393 -6.688 -0.675 1.00 0.00 O ATOM 276 CB LYS A 17 14.896 -5.502 -0.998 1.00 0.00 C ATOM 277 CG LYS A 17 16.153 -4.690 -1.276 1.00 0.00 C ATOM 278 CD LYS A 17 17.326 -5.105 -0.404 1.00 0.00 C ATOM 279 CE LYS A 17 18.536 -4.226 -0.683 1.00 0.00 C ATOM 280 NZ LYS A 17 19.706 -4.572 0.162 1.00 0.00 N ATOM 0 H LYS A 17 13.001 -3.501 -0.582 1.00 0.00 H new ATOM 0 HA LYS A 17 13.986 -5.107 -2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.649 -5.434 0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 17 15.089 -6.553 -1.214 1.00 0.00 H new ATOM 0 HG2 LYS A 17 16.428 -4.802 -2.325 1.00 0.00 H new ATOM 0 HG3 LYS A 17 15.941 -3.633 -1.113 1.00 0.00 H new ATOM 0 HD2 LYS A 17 17.049 -5.030 0.648 1.00 0.00 H new ATOM 0 HD3 LYS A 17 17.576 -6.149 -0.594 1.00 0.00 H new ATOM 0 HE2 LYS A 17 18.812 -4.319 -1.733 1.00 0.00 H new ATOM 0 HE3 LYS A 17 18.268 -3.183 -0.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 20.500 -3.942 -0.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 19.456 -4.458 1.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 19.983 -5.559 -0.016 1.00 0.00 H new ATOM 294 N TYR A 18 11.484 -5.687 -2.487 1.00 0.00 N ATOM 295 CA TYR A 18 10.196 -6.377 -2.439 1.00 0.00 C ATOM 296 C TYR A 18 9.608 -6.444 -3.843 1.00 0.00 C ATOM 297 O TYR A 18 10.207 -5.938 -4.786 1.00 0.00 O ATOM 298 CB TYR A 18 9.204 -5.650 -1.518 1.00 0.00 C ATOM 299 CG TYR A 18 9.394 -5.910 -0.041 1.00 0.00 C ATOM 300 CD1 TYR A 18 8.950 -7.095 0.531 1.00 0.00 C ATOM 301 CD2 TYR A 18 9.995 -4.968 0.785 1.00 0.00 C ATOM 302 CE1 TYR A 18 9.103 -7.337 1.881 1.00 0.00 C ATOM 303 CE2 TYR A 18 10.148 -5.202 2.138 1.00 0.00 C ATOM 304 CZ TYR A 18 9.700 -6.388 2.682 1.00 0.00 C ATOM 305 OH TYR A 18 9.842 -6.619 4.032 1.00 0.00 O ATOM 0 H TYR A 18 11.562 -5.027 -3.261 1.00 0.00 H new ATOM 0 HA TYR A 18 10.363 -7.379 -2.044 1.00 0.00 H new ATOM 0 HB2 TYR A 18 9.285 -4.578 -1.696 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.192 -5.943 -1.796 1.00 0.00 H new ATOM 0 HD1 TYR A 18 8.477 -7.840 -0.091 1.00 0.00 H new ATOM 0 HD2 TYR A 18 10.348 -4.039 0.363 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.756 -8.266 2.308 1.00 0.00 H new ATOM 0 HE2 TYR A 18 10.616 -4.460 2.767 1.00 0.00 H new ATOM 0 HH TYR A 18 10.477 -5.975 4.409 1.00 0.00 H new ATOM 315 N ASN A 19 8.443 -7.063 -3.983 1.00 0.00 N ATOM 316 CA ASN A 19 7.741 -7.084 -5.270 1.00 0.00 C ATOM 317 C ASN A 19 6.294 -6.614 -5.116 1.00 0.00 C ATOM 318 O ASN A 19 5.687 -6.105 -6.061 1.00 0.00 O ATOM 319 CB ASN A 19 7.794 -8.493 -5.876 1.00 0.00 C ATOM 320 CG ASN A 19 6.985 -8.628 -7.153 1.00 0.00 C ATOM 321 OD1 ASN A 19 5.815 -9.015 -7.126 1.00 0.00 O ATOM 322 ND2 ASN A 19 7.601 -8.324 -8.285 1.00 0.00 N ATOM 0 H ASN A 19 7.963 -7.556 -3.230 1.00 0.00 H new ATOM 0 HA ASN A 19 8.243 -6.392 -5.947 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.832 -8.753 -6.083 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.425 -9.210 -5.143 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.106 -8.407 -9.173 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.570 -8.007 -8.269 1.00 0.00 H new ATOM 329 N VAL A 20 5.766 -6.739 -3.907 1.00 0.00 N ATOM 330 CA VAL A 20 4.403 -6.323 -3.598 1.00 0.00 C ATOM 331 C VAL A 20 4.375 -5.747 -2.191 1.00 0.00 C ATOM 332 O VAL A 20 5.172 -6.149 -1.342 1.00 0.00 O ATOM 333 CB VAL A 20 3.378 -7.481 -3.694 1.00 0.00 C ATOM 334 CG1 VAL A 20 3.171 -7.911 -5.137 1.00 0.00 C ATOM 335 CG2 VAL A 20 3.814 -8.665 -2.844 1.00 0.00 C ATOM 0 H VAL A 20 6.269 -7.132 -3.112 1.00 0.00 H new ATOM 0 HA VAL A 20 4.113 -5.579 -4.340 1.00 0.00 H new ATOM 0 HB VAL A 20 2.427 -7.113 -3.309 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.447 -8.725 -5.174 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.799 -7.067 -5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.119 -8.250 -5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.078 -9.464 -2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.782 -9.025 -3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.895 -8.355 -1.802 1.00 0.00 H new ATOM 345 N VAL A 21 3.489 -4.800 -1.949 1.00 0.00 N ATOM 346 CA VAL A 21 3.422 -4.162 -0.648 1.00 0.00 C ATOM 347 C VAL A 21 1.977 -4.106 -0.136 1.00 0.00 C ATOM 348 O VAL A 21 1.056 -3.749 -0.876 1.00 0.00 O ATOM 349 CB VAL A 21 4.057 -2.749 -0.694 1.00 0.00 C ATOM 350 CG1 VAL A 21 3.283 -1.816 -1.609 1.00 0.00 C ATOM 351 CG2 VAL A 21 4.182 -2.162 0.699 1.00 0.00 C ATOM 0 H VAL A 21 2.811 -4.457 -2.630 1.00 0.00 H new ATOM 0 HA VAL A 21 3.998 -4.764 0.054 1.00 0.00 H new ATOM 0 HB VAL A 21 5.060 -2.856 -1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.759 -0.835 -1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.275 -2.222 -2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.259 -1.720 -1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.631 -1.170 0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.193 -2.085 1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.812 -2.808 1.311 1.00 0.00 H new ATOM 361 N PRO A 22 1.760 -4.519 1.127 1.00 0.00 N ATOM 362 CA PRO A 22 0.435 -4.506 1.759 1.00 0.00 C ATOM 363 C PRO A 22 -0.076 -3.092 2.023 1.00 0.00 C ATOM 364 O PRO A 22 0.639 -2.254 2.577 1.00 0.00 O ATOM 365 CB PRO A 22 0.647 -5.236 3.095 1.00 0.00 C ATOM 366 CG PRO A 22 1.989 -5.878 3.003 1.00 0.00 C ATOM 367 CD PRO A 22 2.786 -5.058 2.031 1.00 0.00 C ATOM 0 HA PRO A 22 -0.309 -4.973 1.114 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.604 -4.539 3.932 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.131 -5.981 3.261 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.475 -5.904 3.979 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.903 -6.910 2.662 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.339 -4.263 2.532 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.516 -5.665 1.496 1.00 0.00 H new ATOM 375 N VAL A 23 -1.318 -2.846 1.633 1.00 0.00 N ATOM 376 CA VAL A 23 -1.961 -1.553 1.829 1.00 0.00 C ATOM 377 C VAL A 23 -3.344 -1.747 2.440 1.00 0.00 C ATOM 378 O VAL A 23 -3.973 -2.792 2.251 1.00 0.00 O ATOM 379 CB VAL A 23 -2.096 -0.767 0.504 1.00 0.00 C ATOM 380 CG1 VAL A 23 -0.731 -0.484 -0.098 1.00 0.00 C ATOM 381 CG2 VAL A 23 -2.969 -1.517 -0.493 1.00 0.00 C ATOM 0 H VAL A 23 -1.910 -3.537 1.171 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.329 -0.975 2.503 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.578 0.184 0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.852 0.070 -1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.140 0.107 0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.220 -1.425 -0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.046 -0.941 -1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.523 -2.488 -0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.964 -1.660 -0.070 1.00 0.00 H new ATOM 391 N LYS A 24 -3.811 -0.751 3.172 1.00 0.00 N ATOM 392 CA LYS A 24 -5.110 -0.825 3.824 1.00 0.00 C ATOM 393 C LYS A 24 -5.832 0.516 3.759 1.00 0.00 C ATOM 394 O LYS A 24 -5.267 1.523 3.327 1.00 0.00 O ATOM 395 CB LYS A 24 -4.949 -1.269 5.283 1.00 0.00 C ATOM 396 CG LYS A 24 -4.029 -0.370 6.098 1.00 0.00 C ATOM 397 CD LYS A 24 -3.961 -0.793 7.557 1.00 0.00 C ATOM 398 CE LYS A 24 -5.320 -0.708 8.233 1.00 0.00 C ATOM 399 NZ LYS A 24 -5.223 -0.894 9.701 1.00 0.00 N ATOM 0 H LYS A 24 -3.309 0.123 3.331 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.713 -1.562 3.294 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.931 -1.294 5.756 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.559 -2.287 5.303 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.028 -0.391 5.668 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.381 0.660 6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.586 -1.814 7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.251 -0.158 8.087 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.771 0.261 8.019 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.981 -1.467 7.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.171 -0.829 10.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.816 -1.829 9.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.613 -0.155 10.105 1.00 0.00 H new ATOM 413 N SER A 25 -7.078 0.523 4.206 1.00 0.00 N ATOM 414 CA SER A 25 -7.896 1.723 4.212 1.00 0.00 C ATOM 415 C SER A 25 -8.111 2.204 5.642 1.00 0.00 C ATOM 416 O SER A 25 -8.434 1.416 6.534 1.00 0.00 O ATOM 417 CB SER A 25 -9.231 1.429 3.526 1.00 0.00 C ATOM 418 OG SER A 25 -9.628 0.087 3.749 1.00 0.00 O ATOM 0 H SER A 25 -7.549 -0.303 4.574 1.00 0.00 H new ATOM 0 HA SER A 25 -7.387 2.516 3.664 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.996 2.107 3.904 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.143 1.614 2.455 1.00 0.00 H new ATOM 0 HG SER A 25 -9.104 -0.509 3.174 1.00 0.00 H new ATOM 424 N ASN A 26 -7.895 3.493 5.859 1.00 0.00 N ATOM 425 CA ASN A 26 -8.051 4.086 7.183 1.00 0.00 C ATOM 426 C ASN A 26 -9.524 4.193 7.558 1.00 0.00 C ATOM 427 O ASN A 26 -9.879 4.188 8.735 1.00 0.00 O ATOM 428 CB ASN A 26 -7.389 5.474 7.239 1.00 0.00 C ATOM 429 CG ASN A 26 -8.029 6.490 6.302 1.00 0.00 C ATOM 430 OD1 ASN A 26 -8.560 6.142 5.247 1.00 0.00 O ATOM 431 ND2 ASN A 26 -7.983 7.755 6.682 1.00 0.00 N ATOM 0 H ASN A 26 -7.610 4.152 5.134 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.556 3.434 7.903 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.440 5.851 8.260 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.333 5.375 6.988 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.396 8.479 6.094 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.535 8.007 7.563 1.00 0.00 H new ATOM 438 N LYS A 27 -10.373 4.273 6.545 1.00 0.00 N ATOM 439 CA LYS A 27 -11.809 4.365 6.751 1.00 0.00 C ATOM 440 C LYS A 27 -12.495 3.211 6.035 1.00 0.00 C ATOM 441 O LYS A 27 -12.179 2.926 4.878 1.00 0.00 O ATOM 442 CB LYS A 27 -12.331 5.707 6.230 1.00 0.00 C ATOM 443 CG LYS A 27 -11.630 6.900 6.853 1.00 0.00 C ATOM 444 CD LYS A 27 -11.976 8.198 6.144 1.00 0.00 C ATOM 445 CE LYS A 27 -11.103 9.338 6.642 1.00 0.00 C ATOM 446 NZ LYS A 27 -11.331 10.597 5.883 1.00 0.00 N ATOM 0 H LYS A 27 -10.089 4.276 5.565 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.028 4.304 7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.206 5.744 5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.400 5.776 6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.909 6.976 7.904 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.552 6.745 6.819 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.844 8.076 5.069 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.026 8.439 6.310 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.305 9.512 7.699 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.054 9.052 6.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.678 11.331 6.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.163 10.427 4.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.312 10.914 6.023 1.00 0.00 H new ATOM 460 N PRO A 28 -13.423 2.523 6.724 1.00 0.00 N ATOM 461 CA PRO A 28 -14.141 1.369 6.169 1.00 0.00 C ATOM 462 C PRO A 28 -14.744 1.661 4.797 1.00 0.00 C ATOM 463 O PRO A 28 -15.383 2.694 4.588 1.00 0.00 O ATOM 464 CB PRO A 28 -15.239 1.106 7.201 1.00 0.00 C ATOM 465 CG PRO A 28 -14.689 1.633 8.478 1.00 0.00 C ATOM 466 CD PRO A 28 -13.842 2.818 8.107 1.00 0.00 C ATOM 0 HA PRO A 28 -13.481 0.517 6.006 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.166 1.611 6.931 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.466 0.042 7.276 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.490 1.924 9.157 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.096 0.875 8.990 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -14.406 3.749 8.165 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.985 2.923 8.772 1.00 0.00 H new ATOM 474 N VAL A 29 -14.533 0.742 3.870 1.00 0.00 N ATOM 475 CA VAL A 29 -14.966 0.917 2.495 1.00 0.00 C ATOM 476 C VAL A 29 -16.330 0.286 2.275 1.00 0.00 C ATOM 477 O VAL A 29 -16.526 -0.894 2.546 1.00 0.00 O ATOM 478 CB VAL A 29 -13.957 0.291 1.519 1.00 0.00 C ATOM 479 CG1 VAL A 29 -14.355 0.563 0.076 1.00 0.00 C ATOM 480 CG2 VAL A 29 -12.557 0.806 1.808 1.00 0.00 C ATOM 0 H VAL A 29 -14.059 -0.143 4.049 1.00 0.00 H new ATOM 0 HA VAL A 29 -15.030 1.988 2.305 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.961 -0.789 1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.625 0.110 -0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -15.339 0.136 -0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -14.387 1.639 -0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.852 0.355 1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.537 1.890 1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.276 0.543 2.828 1.00 0.00 H new ATOM 490 N GLU A 30 -17.267 1.078 1.790 1.00 0.00 N ATOM 491 CA GLU A 30 -18.609 0.587 1.536 1.00 0.00 C ATOM 492 C GLU A 30 -18.566 -0.497 0.464 1.00 0.00 C ATOM 493 O GLU A 30 -17.876 -0.348 -0.553 1.00 0.00 O ATOM 494 CB GLU A 30 -19.512 1.745 1.115 1.00 0.00 C ATOM 495 CG GLU A 30 -20.990 1.460 1.290 1.00 0.00 C ATOM 496 CD GLU A 30 -21.829 2.716 1.222 1.00 0.00 C ATOM 497 OE1 GLU A 30 -21.263 3.804 0.988 1.00 0.00 O ATOM 498 OE2 GLU A 30 -23.053 2.627 1.435 1.00 0.00 O ATOM 0 H GLU A 30 -17.125 2.062 1.564 1.00 0.00 H new ATOM 0 HA GLU A 30 -19.019 0.150 2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.250 2.629 1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -19.318 1.983 0.069 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -21.318 0.765 0.517 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -21.152 0.969 2.250 1.00 0.00 H new ATOM 505 N ILE A 31 -19.283 -1.592 0.705 1.00 0.00 N ATOM 506 CA ILE A 31 -19.244 -2.759 -0.176 1.00 0.00 C ATOM 507 C ILE A 31 -19.973 -2.511 -1.499 1.00 0.00 C ATOM 508 O ILE A 31 -21.020 -3.092 -1.794 1.00 0.00 O ATOM 509 CB ILE A 31 -19.817 -4.011 0.510 1.00 0.00 C ATOM 510 CG1 ILE A 31 -21.181 -3.706 1.121 1.00 0.00 C ATOM 511 CG2 ILE A 31 -18.857 -4.519 1.576 1.00 0.00 C ATOM 512 CD1 ILE A 31 -22.183 -4.796 0.872 1.00 0.00 C ATOM 0 H ILE A 31 -19.902 -1.697 1.509 1.00 0.00 H new ATOM 0 HA ILE A 31 -18.191 -2.935 -0.397 1.00 0.00 H new ATOM 0 HB ILE A 31 -19.942 -4.791 -0.241 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -21.069 -3.559 2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -21.558 -2.770 0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -19.277 -5.405 2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -17.903 -4.773 1.115 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.703 -3.743 2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -23.135 -4.526 1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -22.320 -4.926 -0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -21.823 -5.728 1.308 1.00 0.00 H new ATOM 524 N SER A 32 -19.400 -1.625 -2.275 1.00 0.00 N ATOM 525 CA SER A 32 -19.895 -1.287 -3.602 1.00 0.00 C ATOM 526 C SER A 32 -18.770 -0.726 -4.478 1.00 0.00 C ATOM 527 O SER A 32 -18.772 -0.909 -5.693 1.00 0.00 O ATOM 528 CB SER A 32 -21.048 -0.287 -3.499 1.00 0.00 C ATOM 529 OG SER A 32 -20.731 0.772 -2.608 1.00 0.00 O ATOM 0 H SER A 32 -18.564 -1.106 -2.006 1.00 0.00 H new ATOM 0 HA SER A 32 -20.265 -2.198 -4.073 1.00 0.00 H new ATOM 0 HB2 SER A 32 -21.270 0.119 -4.486 1.00 0.00 H new ATOM 0 HB3 SER A 32 -21.947 -0.799 -3.155 1.00 0.00 H new ATOM 0 HG SER A 32 -21.484 1.397 -2.562 1.00 0.00 H new ATOM 535 N LYS A 33 -17.802 -0.050 -3.853 1.00 0.00 N ATOM 536 CA LYS A 33 -16.633 0.464 -4.562 1.00 0.00 C ATOM 537 C LYS A 33 -15.490 -0.541 -4.475 1.00 0.00 C ATOM 538 O LYS A 33 -14.388 -0.284 -4.949 1.00 0.00 O ATOM 539 CB LYS A 33 -16.163 1.807 -3.975 1.00 0.00 C ATOM 540 CG LYS A 33 -17.140 2.967 -4.139 1.00 0.00 C ATOM 541 CD LYS A 33 -18.327 2.855 -3.194 1.00 0.00 C ATOM 542 CE LYS A 33 -19.209 4.094 -3.241 1.00 0.00 C ATOM 543 NZ LYS A 33 -19.668 4.407 -4.619 1.00 0.00 N ATOM 0 H LYS A 33 -17.808 0.153 -2.853 1.00 0.00 H new ATOM 0 HA LYS A 33 -16.920 0.620 -5.602 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.962 1.670 -2.912 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.218 2.080 -4.445 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.619 3.907 -3.956 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.498 2.996 -5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.919 1.978 -3.457 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.968 2.704 -2.176 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -20.076 3.945 -2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.658 4.945 -2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -20.396 5.149 -4.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -18.862 4.740 -5.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -20.068 3.551 -5.054 1.00 0.00 H new ATOM 557 N TRP A 34 -15.777 -1.685 -3.862 1.00 0.00 N ATOM 558 CA TRP A 34 -14.783 -2.727 -3.619 1.00 0.00 C ATOM 559 C TRP A 34 -14.037 -3.099 -4.903 1.00 0.00 C ATOM 560 O TRP A 34 -12.802 -3.060 -4.960 1.00 0.00 O ATOM 561 CB TRP A 34 -15.486 -3.960 -3.041 1.00 0.00 C ATOM 562 CG TRP A 34 -14.554 -5.032 -2.565 1.00 0.00 C ATOM 563 CD1 TRP A 34 -14.013 -6.042 -3.307 1.00 0.00 C ATOM 564 CD2 TRP A 34 -14.067 -5.207 -1.232 1.00 0.00 C ATOM 565 NE1 TRP A 34 -13.214 -6.831 -2.517 1.00 0.00 N ATOM 566 CE2 TRP A 34 -13.230 -6.338 -1.238 1.00 0.00 C ATOM 567 CE3 TRP A 34 -14.258 -4.513 -0.034 1.00 0.00 C ATOM 568 CZ2 TRP A 34 -12.585 -6.790 -0.092 1.00 0.00 C ATOM 569 CZ3 TRP A 34 -13.615 -4.962 1.103 1.00 0.00 C ATOM 570 CH2 TRP A 34 -12.788 -6.092 1.067 1.00 0.00 C ATOM 0 H TRP A 34 -16.709 -1.917 -3.518 1.00 0.00 H new ATOM 0 HA TRP A 34 -14.046 -2.350 -2.910 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -16.117 -3.648 -2.209 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -16.145 -4.379 -3.802 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -14.188 -6.198 -4.361 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -12.693 -7.650 -2.831 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -14.896 -3.642 0.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -11.947 -7.661 -0.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -13.752 -4.433 2.035 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -12.300 -6.419 1.973 1.00 0.00 H new ATOM 581 N ILE A 35 -14.796 -3.419 -5.939 1.00 0.00 N ATOM 582 CA ILE A 35 -14.212 -3.877 -7.189 1.00 0.00 C ATOM 583 C ILE A 35 -13.550 -2.713 -7.916 1.00 0.00 C ATOM 584 O ILE A 35 -12.473 -2.859 -8.502 1.00 0.00 O ATOM 585 CB ILE A 35 -15.274 -4.528 -8.107 1.00 0.00 C ATOM 586 CG1 ILE A 35 -15.980 -5.674 -7.374 1.00 0.00 C ATOM 587 CG2 ILE A 35 -14.629 -5.034 -9.393 1.00 0.00 C ATOM 588 CD1 ILE A 35 -17.084 -6.327 -8.181 1.00 0.00 C ATOM 0 H ILE A 35 -15.815 -3.370 -5.939 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.463 -4.631 -6.948 1.00 0.00 H new ATOM 0 HB ILE A 35 -16.016 -3.774 -8.368 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -15.242 -6.430 -7.106 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.400 -5.294 -6.443 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -15.390 -5.489 -10.027 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.168 -4.200 -9.921 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.868 -5.776 -9.151 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -17.537 -7.128 -7.597 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -17.843 -5.584 -8.427 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -16.668 -6.739 -9.100 1.00 0.00 H new ATOM 600 N ASP A 36 -14.184 -1.550 -7.847 1.00 0.00 N ATOM 601 CA ASP A 36 -13.664 -0.355 -8.495 1.00 0.00 C ATOM 602 C ASP A 36 -12.306 0.017 -7.908 1.00 0.00 C ATOM 603 O ASP A 36 -11.398 0.436 -8.628 1.00 0.00 O ATOM 604 CB ASP A 36 -14.645 0.809 -8.346 1.00 0.00 C ATOM 605 CG ASP A 36 -14.721 1.659 -9.598 1.00 0.00 C ATOM 606 OD1 ASP A 36 -13.819 1.556 -10.457 1.00 0.00 O ATOM 607 OD2 ASP A 36 -15.708 2.415 -9.749 1.00 0.00 O ATOM 0 H ASP A 36 -15.062 -1.409 -7.347 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.540 -0.566 -9.557 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -15.636 0.419 -8.113 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -14.342 1.432 -7.504 1.00 0.00 H new ATOM 612 N PHE A 37 -12.166 -0.169 -6.597 1.00 0.00 N ATOM 613 CA PHE A 37 -10.898 0.060 -5.914 1.00 0.00 C ATOM 614 C PHE A 37 -9.812 -0.843 -6.474 1.00 0.00 C ATOM 615 O PHE A 37 -8.728 -0.377 -6.829 1.00 0.00 O ATOM 616 CB PHE A 37 -11.034 -0.179 -4.408 1.00 0.00 C ATOM 617 CG PHE A 37 -11.571 0.998 -3.646 1.00 0.00 C ATOM 618 CD1 PHE A 37 -12.353 1.959 -4.267 1.00 0.00 C ATOM 619 CD2 PHE A 37 -11.290 1.138 -2.298 1.00 0.00 C ATOM 620 CE1 PHE A 37 -12.847 3.033 -3.557 1.00 0.00 C ATOM 621 CE2 PHE A 37 -11.780 2.212 -1.582 1.00 0.00 C ATOM 622 CZ PHE A 37 -12.558 3.160 -2.212 1.00 0.00 C ATOM 0 H PHE A 37 -12.921 -0.479 -5.985 1.00 0.00 H new ATOM 0 HA PHE A 37 -10.619 1.100 -6.082 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -11.690 -1.034 -4.245 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -10.057 -0.445 -4.004 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -12.578 1.866 -5.319 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -10.680 0.398 -1.800 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -13.459 3.773 -4.051 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -11.554 2.309 -0.530 1.00 0.00 H new ATOM 0 HZ PHE A 37 -12.941 4.002 -1.654 1.00 0.00 H new ATOM 632 N SER A 38 -10.102 -2.139 -6.567 1.00 0.00 N ATOM 633 CA SER A 38 -9.130 -3.080 -7.106 1.00 0.00 C ATOM 634 C SER A 38 -8.804 -2.763 -8.569 1.00 0.00 C ATOM 635 O SER A 38 -7.717 -3.085 -9.048 1.00 0.00 O ATOM 636 CB SER A 38 -9.612 -4.523 -6.940 1.00 0.00 C ATOM 637 OG SER A 38 -10.960 -4.687 -7.349 1.00 0.00 O ATOM 0 H SER A 38 -10.988 -2.554 -6.280 1.00 0.00 H new ATOM 0 HA SER A 38 -8.208 -2.972 -6.535 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.974 -5.187 -7.523 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.512 -4.820 -5.896 1.00 0.00 H new ATOM 0 HG SER A 38 -11.205 -3.965 -7.964 1.00 0.00 H new ATOM 643 N ASN A 39 -9.735 -2.116 -9.269 1.00 0.00 N ATOM 644 CA ASN A 39 -9.489 -1.670 -10.641 1.00 0.00 C ATOM 645 C ASN A 39 -8.412 -0.595 -10.652 1.00 0.00 C ATOM 646 O ASN A 39 -7.442 -0.679 -11.407 1.00 0.00 O ATOM 647 CB ASN A 39 -10.759 -1.109 -11.291 1.00 0.00 C ATOM 648 CG ASN A 39 -11.827 -2.155 -11.525 1.00 0.00 C ATOM 649 OD1 ASN A 39 -13.079 -1.729 -11.483 1.00 0.00 O flip ATOM 650 ND2 ASN A 39 -11.530 -3.327 -11.752 1.00 0.00 N flip ATOM 0 H ASN A 39 -10.663 -1.889 -8.911 1.00 0.00 H new ATOM 0 HA ASN A 39 -9.162 -2.538 -11.214 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.165 -0.321 -10.657 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.498 -0.648 -12.244 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.550 -3.610 -11.775 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.264 -4.016 -11.918 1.00 0.00 H new ATOM 657 N VAL A 40 -8.588 0.408 -9.796 1.00 0.00 N ATOM 658 CA VAL A 40 -7.637 1.510 -9.689 1.00 0.00 C ATOM 659 C VAL A 40 -6.278 1.001 -9.211 1.00 0.00 C ATOM 660 O VAL A 40 -5.237 1.404 -9.730 1.00 0.00 O ATOM 661 CB VAL A 40 -8.150 2.609 -8.727 1.00 0.00 C ATOM 662 CG1 VAL A 40 -7.205 3.803 -8.702 1.00 0.00 C ATOM 663 CG2 VAL A 40 -9.550 3.055 -9.119 1.00 0.00 C ATOM 0 H VAL A 40 -9.385 0.480 -9.163 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.529 1.946 -10.682 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.186 2.182 -7.725 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.591 4.559 -8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.219 3.480 -8.367 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.127 4.226 -9.703 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.892 3.828 -8.430 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.534 3.454 -10.133 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.229 2.203 -9.075 1.00 0.00 H new ATOM 673 N LEU A 41 -6.297 0.093 -8.239 1.00 0.00 N ATOM 674 CA LEU A 41 -5.067 -0.483 -7.698 1.00 0.00 C ATOM 675 C LEU A 41 -4.296 -1.271 -8.753 1.00 0.00 C ATOM 676 O LEU A 41 -3.072 -1.352 -8.696 1.00 0.00 O ATOM 677 CB LEU A 41 -5.369 -1.385 -6.500 1.00 0.00 C ATOM 678 CG LEU A 41 -5.812 -0.655 -5.231 1.00 0.00 C ATOM 679 CD1 LEU A 41 -6.019 -1.645 -4.101 1.00 0.00 C ATOM 680 CD2 LEU A 41 -4.788 0.398 -4.831 1.00 0.00 C ATOM 0 H LEU A 41 -7.151 -0.261 -7.809 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.443 0.350 -7.373 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.149 -2.091 -6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.478 -1.969 -6.272 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.758 -0.153 -5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.334 -1.112 -3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.787 -2.365 -4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.085 -2.170 -3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.122 0.905 -3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.827 -0.081 -4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.680 1.125 -5.636 1.00 0.00 H new ATOM 692 N SER A 42 -5.005 -1.837 -9.719 1.00 0.00 N ATOM 693 CA SER A 42 -4.361 -2.607 -10.778 1.00 0.00 C ATOM 694 C SER A 42 -3.622 -1.687 -11.750 1.00 0.00 C ATOM 695 O SER A 42 -2.842 -2.143 -12.583 1.00 0.00 O ATOM 696 CB SER A 42 -5.391 -3.455 -11.523 1.00 0.00 C ATOM 697 OG SER A 42 -6.048 -4.348 -10.637 1.00 0.00 O ATOM 0 H SER A 42 -6.021 -1.779 -9.793 1.00 0.00 H new ATOM 0 HA SER A 42 -3.630 -3.272 -10.318 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.124 -2.806 -12.002 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.899 -4.019 -12.315 1.00 0.00 H new ATOM 0 HG SER A 42 -6.819 -3.899 -10.232 1.00 0.00 H new ATOM 703 N ARG A 43 -3.873 -0.389 -11.635 1.00 0.00 N ATOM 704 CA ARG A 43 -3.176 0.598 -12.446 1.00 0.00 C ATOM 705 C ARG A 43 -2.196 1.387 -11.591 1.00 0.00 C ATOM 706 O ARG A 43 -1.553 2.323 -12.064 1.00 0.00 O ATOM 707 CB ARG A 43 -4.166 1.552 -13.113 1.00 0.00 C ATOM 708 CG ARG A 43 -5.070 0.875 -14.126 1.00 0.00 C ATOM 709 CD ARG A 43 -5.945 1.885 -14.844 1.00 0.00 C ATOM 710 NE ARG A 43 -6.705 1.276 -15.931 1.00 0.00 N ATOM 711 CZ ARG A 43 -6.593 1.641 -17.208 1.00 0.00 C ATOM 712 NH1 ARG A 43 -5.739 2.597 -17.558 1.00 0.00 N ATOM 713 NH2 ARG A 43 -7.330 1.039 -18.133 1.00 0.00 N ATOM 0 H ARG A 43 -4.555 0.004 -10.987 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.626 0.068 -13.224 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.781 2.020 -12.345 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.612 2.350 -13.608 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.464 0.333 -14.853 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.697 0.139 -13.623 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.633 2.340 -14.131 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.322 2.686 -15.242 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.359 0.528 -15.700 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.166 3.054 -16.848 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.656 2.874 -18.536 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.980 0.299 -17.866 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.247 1.316 -19.111 1.00 0.00 H new ATOM 727 N LEU A 44 -2.085 1.008 -10.326 1.00 0.00 N ATOM 728 CA LEU A 44 -1.190 1.691 -9.413 1.00 0.00 C ATOM 729 C LEU A 44 0.113 0.932 -9.244 1.00 0.00 C ATOM 730 O LEU A 44 0.134 -0.226 -8.823 1.00 0.00 O ATOM 731 CB LEU A 44 -1.842 1.907 -8.047 1.00 0.00 C ATOM 732 CG LEU A 44 -2.876 3.030 -7.991 1.00 0.00 C ATOM 733 CD1 LEU A 44 -3.396 3.199 -6.573 1.00 0.00 C ATOM 734 CD2 LEU A 44 -2.282 4.334 -8.498 1.00 0.00 C ATOM 0 H LEU A 44 -2.603 0.233 -9.913 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.973 2.664 -9.853 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.321 0.978 -7.740 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.060 2.118 -7.318 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.711 2.761 -8.638 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.132 4.003 -6.549 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.862 2.270 -6.243 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.568 3.445 -5.909 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.035 5.120 -8.449 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.429 4.610 -7.879 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.955 4.208 -9.530 1.00 0.00 H new ATOM 746 N TYR A 45 1.188 1.596 -9.600 1.00 0.00 N ATOM 747 CA TYR A 45 2.526 1.096 -9.353 1.00 0.00 C ATOM 748 C TYR A 45 3.255 2.083 -8.466 1.00 0.00 C ATOM 749 O TYR A 45 3.717 3.125 -8.927 1.00 0.00 O ATOM 750 CB TYR A 45 3.280 0.880 -10.664 1.00 0.00 C ATOM 751 CG TYR A 45 2.906 -0.405 -11.366 1.00 0.00 C ATOM 752 CD1 TYR A 45 1.767 -0.488 -12.155 1.00 0.00 C ATOM 753 CD2 TYR A 45 3.694 -1.539 -11.230 1.00 0.00 C ATOM 754 CE1 TYR A 45 1.424 -1.668 -12.788 1.00 0.00 C ATOM 755 CE2 TYR A 45 3.360 -2.720 -11.859 1.00 0.00 C ATOM 756 CZ TYR A 45 2.224 -2.782 -12.637 1.00 0.00 C ATOM 757 OH TYR A 45 1.892 -3.959 -13.271 1.00 0.00 O ATOM 0 H TYR A 45 1.162 2.501 -10.070 1.00 0.00 H new ATOM 0 HA TYR A 45 2.467 0.129 -8.853 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.084 1.720 -11.330 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.351 0.877 -10.462 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.139 0.382 -12.276 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.585 -1.496 -10.621 1.00 0.00 H new ATOM 0 HE1 TYR A 45 0.534 -1.718 -13.398 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.986 -3.592 -11.742 1.00 0.00 H new ATOM 0 HH TYR A 45 2.561 -4.644 -13.060 1.00 0.00 H new ATOM 767 N VAL A 46 3.329 1.763 -7.188 1.00 0.00 N ATOM 768 CA VAL A 46 3.839 2.699 -6.201 1.00 0.00 C ATOM 769 C VAL A 46 5.341 2.529 -6.023 1.00 0.00 C ATOM 770 O VAL A 46 5.965 1.733 -6.720 1.00 0.00 O ATOM 771 CB VAL A 46 3.121 2.521 -4.846 1.00 0.00 C ATOM 772 CG1 VAL A 46 1.623 2.751 -5.006 1.00 0.00 C ATOM 773 CG2 VAL A 46 3.394 1.143 -4.261 1.00 0.00 C ATOM 0 H VAL A 46 3.042 0.861 -6.807 1.00 0.00 H new ATOM 0 HA VAL A 46 3.642 3.707 -6.566 1.00 0.00 H new ATOM 0 HB VAL A 46 3.514 3.263 -4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.130 2.622 -4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.447 3.763 -5.371 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.219 2.033 -5.719 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.877 1.044 -3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.035 0.378 -4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.466 1.019 -4.107 1.00 0.00 H new ATOM 783 N GLY A 47 5.917 3.283 -5.106 1.00 0.00 N ATOM 784 CA GLY A 47 7.335 3.181 -4.856 1.00 0.00 C ATOM 785 C GLY A 47 7.740 3.895 -3.590 1.00 0.00 C ATOM 786 O GLY A 47 6.879 4.313 -2.816 1.00 0.00 O ATOM 0 H GLY A 47 5.427 3.966 -4.528 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.616 2.130 -4.785 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.883 3.601 -5.700 1.00 0.00 H new ATOM 790 N VAL A 48 9.048 4.054 -3.405 1.00 0.00 N ATOM 791 CA VAL A 48 9.613 4.675 -2.205 1.00 0.00 C ATOM 792 C VAL A 48 9.400 3.793 -0.974 1.00 0.00 C ATOM 793 O VAL A 48 8.305 3.736 -0.416 1.00 0.00 O ATOM 794 CB VAL A 48 9.035 6.086 -1.941 1.00 0.00 C ATOM 795 CG1 VAL A 48 9.666 6.705 -0.704 1.00 0.00 C ATOM 796 CG2 VAL A 48 9.250 6.984 -3.149 1.00 0.00 C ATOM 0 H VAL A 48 9.749 3.756 -4.083 1.00 0.00 H new ATOM 0 HA VAL A 48 10.682 4.781 -2.391 1.00 0.00 H new ATOM 0 HB VAL A 48 7.964 5.987 -1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.245 7.696 -0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.463 6.075 0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 48 10.743 6.788 -0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.837 7.972 -2.946 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.317 7.071 -3.352 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.750 6.553 -4.016 1.00 0.00 H new ATOM 806 N PRO A 49 10.450 3.067 -0.559 1.00 0.00 N ATOM 807 CA PRO A 49 10.414 2.237 0.648 1.00 0.00 C ATOM 808 C PRO A 49 10.084 3.056 1.894 1.00 0.00 C ATOM 809 O PRO A 49 10.898 3.854 2.362 1.00 0.00 O ATOM 810 CB PRO A 49 11.830 1.653 0.741 1.00 0.00 C ATOM 811 CG PRO A 49 12.668 2.475 -0.179 1.00 0.00 C ATOM 812 CD PRO A 49 11.748 2.992 -1.243 1.00 0.00 C ATOM 0 HA PRO A 49 9.639 1.472 0.592 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.207 1.702 1.763 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.841 0.603 0.447 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.142 3.297 0.358 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.468 1.876 -0.615 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.066 3.968 -1.611 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.712 2.323 -2.103 1.00 0.00 H new ATOM 820 N THR A 50 8.881 2.861 2.410 1.00 0.00 N ATOM 821 CA THR A 50 8.382 3.630 3.535 1.00 0.00 C ATOM 822 C THR A 50 8.303 2.792 4.808 1.00 0.00 C ATOM 823 O THR A 50 8.898 1.717 4.894 1.00 0.00 O ATOM 824 CB THR A 50 6.991 4.180 3.204 1.00 0.00 C ATOM 825 OG1 THR A 50 6.309 3.256 2.347 1.00 0.00 O ATOM 826 CG2 THR A 50 7.085 5.539 2.526 1.00 0.00 C ATOM 0 H THR A 50 8.224 2.164 2.059 1.00 0.00 H new ATOM 0 HA THR A 50 9.081 4.447 3.713 1.00 0.00 H new ATOM 0 HB THR A 50 6.436 4.304 4.134 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.489 3.670 2.006 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.083 5.904 2.303 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.588 6.242 3.189 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.651 5.445 1.599 1.00 0.00 H new ATOM 834 N LYS A 51 7.586 3.304 5.801 1.00 0.00 N ATOM 835 CA LYS A 51 7.407 2.610 7.068 1.00 0.00 C ATOM 836 C LYS A 51 5.923 2.525 7.412 1.00 0.00 C ATOM 837 O LYS A 51 5.100 3.170 6.768 1.00 0.00 O ATOM 838 CB LYS A 51 8.174 3.337 8.176 1.00 0.00 C ATOM 839 CG LYS A 51 9.670 3.428 7.915 1.00 0.00 C ATOM 840 CD LYS A 51 10.307 2.050 7.852 1.00 0.00 C ATOM 841 CE LYS A 51 11.753 2.114 7.382 1.00 0.00 C ATOM 842 NZ LYS A 51 11.867 2.532 5.958 1.00 0.00 N ATOM 0 H LYS A 51 7.115 4.207 5.750 1.00 0.00 H new ATOM 0 HA LYS A 51 7.801 1.598 6.979 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.770 4.343 8.287 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.008 2.821 9.122 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.846 3.955 6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.143 4.014 8.703 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.266 1.586 8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.733 1.415 7.176 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.306 2.814 8.009 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.218 1.136 7.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.663 3.193 5.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.031 1.695 5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.987 3.000 5.662 1.00 0.00 H new ATOM 856 N SER A 52 5.582 1.743 8.430 1.00 0.00 N ATOM 857 CA SER A 52 4.185 1.520 8.791 1.00 0.00 C ATOM 858 C SER A 52 3.472 2.827 9.132 1.00 0.00 C ATOM 859 O SER A 52 4.026 3.690 9.818 1.00 0.00 O ATOM 860 CB SER A 52 4.089 0.542 9.966 1.00 0.00 C ATOM 861 OG SER A 52 5.024 0.860 10.982 1.00 0.00 O ATOM 0 H SER A 52 6.253 1.252 9.021 1.00 0.00 H new ATOM 0 HA SER A 52 3.686 1.088 7.923 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.080 0.564 10.378 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.266 -0.473 9.611 1.00 0.00 H new ATOM 0 HG SER A 52 5.877 0.417 10.792 1.00 0.00 H new ATOM 867 N GLY A 53 2.255 2.973 8.624 1.00 0.00 N ATOM 868 CA GLY A 53 1.478 4.160 8.898 1.00 0.00 C ATOM 869 C GLY A 53 1.738 5.248 7.886 1.00 0.00 C ATOM 870 O GLY A 53 1.537 6.432 8.167 1.00 0.00 O ATOM 0 H GLY A 53 1.794 2.287 8.026 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.417 3.908 8.896 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.717 4.528 9.896 1.00 0.00 H new ATOM 874 N ASN A 54 2.194 4.855 6.706 1.00 0.00 N ATOM 875 CA ASN A 54 2.460 5.819 5.649 1.00 0.00 C ATOM 876 C ASN A 54 1.277 5.886 4.696 1.00 0.00 C ATOM 877 O ASN A 54 0.757 4.857 4.270 1.00 0.00 O ATOM 878 CB ASN A 54 3.746 5.475 4.881 1.00 0.00 C ATOM 879 CG ASN A 54 3.600 4.301 3.926 1.00 0.00 C ATOM 880 OD1 ASN A 54 3.225 4.473 2.770 1.00 0.00 O ATOM 881 ND2 ASN A 54 3.925 3.109 4.392 1.00 0.00 N ATOM 0 H ASN A 54 2.386 3.885 6.458 1.00 0.00 H new ATOM 0 HA ASN A 54 2.604 6.795 6.113 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.066 6.351 4.317 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.536 5.251 5.598 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.869 2.291 3.785 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.232 3.006 5.359 1.00 0.00 H new ATOM 888 N VAL A 55 0.824 7.090 4.391 1.00 0.00 N ATOM 889 CA VAL A 55 -0.260 7.259 3.438 1.00 0.00 C ATOM 890 C VAL A 55 0.287 7.227 2.015 1.00 0.00 C ATOM 891 O VAL A 55 0.971 8.159 1.587 1.00 0.00 O ATOM 892 CB VAL A 55 -1.028 8.579 3.662 1.00 0.00 C ATOM 893 CG1 VAL A 55 -2.151 8.722 2.649 1.00 0.00 C ATOM 894 CG2 VAL A 55 -1.582 8.648 5.076 1.00 0.00 C ATOM 0 H VAL A 55 1.186 7.958 4.785 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.957 6.435 3.590 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.329 9.404 3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.681 9.659 2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.735 8.722 1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.845 7.888 2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.119 9.587 5.211 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.263 7.813 5.241 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.761 8.594 5.791 1.00 0.00 H new ATOM 904 N VAL A 56 0.004 6.146 1.300 1.00 0.00 N ATOM 905 CA VAL A 56 0.446 6.008 -0.080 1.00 0.00 C ATOM 906 C VAL A 56 -0.485 6.787 -0.994 1.00 0.00 C ATOM 907 O VAL A 56 -0.062 7.686 -1.721 1.00 0.00 O ATOM 908 CB VAL A 56 0.466 4.532 -0.540 1.00 0.00 C ATOM 909 CG1 VAL A 56 1.201 4.400 -1.864 1.00 0.00 C ATOM 910 CG2 VAL A 56 1.089 3.637 0.518 1.00 0.00 C ATOM 0 H VAL A 56 -0.530 5.352 1.654 1.00 0.00 H new ATOM 0 HA VAL A 56 1.462 6.398 -0.135 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.564 4.206 -0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.207 3.355 -2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.697 5.001 -2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.227 4.749 -1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.090 2.605 0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.114 3.957 0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.511 3.707 1.440 1.00 0.00 H new ATOM 920 N CYS A 57 -1.763 6.446 -0.937 1.00 0.00 N ATOM 921 CA CYS A 57 -2.760 7.094 -1.768 1.00 0.00 C ATOM 922 C CYS A 57 -3.751 7.862 -0.906 1.00 0.00 C ATOM 923 O CYS A 57 -4.718 7.293 -0.397 1.00 0.00 O ATOM 924 CB CYS A 57 -3.492 6.065 -2.632 1.00 0.00 C ATOM 925 SG CYS A 57 -2.399 5.081 -3.682 1.00 0.00 S ATOM 0 H CYS A 57 -2.133 5.722 -0.321 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.253 7.799 -2.427 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.056 5.395 -1.983 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.216 6.583 -3.262 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.806 3.846 -3.696 1.00 0.00 H new ATOM 931 N LYS A 58 -3.485 9.145 -0.719 1.00 0.00 N ATOM 932 CA LYS A 58 -4.371 10.004 0.051 1.00 0.00 C ATOM 933 C LYS A 58 -5.560 10.412 -0.803 1.00 0.00 C ATOM 934 O LYS A 58 -5.405 11.113 -1.808 1.00 0.00 O ATOM 935 CB LYS A 58 -3.614 11.227 0.592 1.00 0.00 C ATOM 936 CG LYS A 58 -2.275 11.492 -0.088 1.00 0.00 C ATOM 937 CD LYS A 58 -1.411 12.436 0.737 1.00 0.00 C ATOM 938 CE LYS A 58 -0.011 12.576 0.158 1.00 0.00 C ATOM 939 NZ LYS A 58 0.008 13.375 -1.096 1.00 0.00 N ATOM 0 H LYS A 58 -2.660 9.616 -1.091 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.744 9.451 0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.245 12.108 0.480 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.444 11.091 1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.748 10.550 -0.237 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.445 11.921 -1.075 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.885 13.416 0.782 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.345 12.067 1.761 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.638 13.047 0.896 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.398 11.585 -0.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.983 13.441 -1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.590 12.913 -1.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.356 14.330 -0.905 1.00 0.00 H new ATOM 953 N ASN A 59 -6.739 9.943 -0.397 1.00 0.00 N ATOM 954 CA ASN A 59 -7.958 10.071 -1.191 1.00 0.00 C ATOM 955 C ASN A 59 -7.822 9.261 -2.475 1.00 0.00 C ATOM 956 O ASN A 59 -7.499 9.792 -3.539 1.00 0.00 O ATOM 957 CB ASN A 59 -8.284 11.538 -1.504 1.00 0.00 C ATOM 958 CG ASN A 59 -9.529 11.690 -2.359 1.00 0.00 C ATOM 959 OD1 ASN A 59 -10.461 10.886 -2.274 1.00 0.00 O ATOM 960 ND2 ASN A 59 -9.551 12.717 -3.192 1.00 0.00 N ATOM 0 H ASN A 59 -6.875 9.463 0.493 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.788 9.678 -0.604 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.420 12.083 -0.570 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.437 11.993 -2.018 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.360 12.867 -3.795 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.759 13.359 -3.231 1.00 0.00 H new ATOM 967 N ILE A 60 -8.028 7.959 -2.353 1.00 0.00 N ATOM 968 CA ILE A 60 -7.945 7.064 -3.497 1.00 0.00 C ATOM 969 C ILE A 60 -9.140 7.275 -4.421 1.00 0.00 C ATOM 970 O ILE A 60 -10.291 7.174 -3.985 1.00 0.00 O ATOM 971 CB ILE A 60 -7.865 5.578 -3.061 1.00 0.00 C ATOM 972 CG1 ILE A 60 -7.880 4.657 -4.289 1.00 0.00 C ATOM 973 CG2 ILE A 60 -8.998 5.226 -2.102 1.00 0.00 C ATOM 974 CD1 ILE A 60 -7.778 3.186 -3.950 1.00 0.00 C ATOM 0 H ILE A 60 -8.254 7.498 -1.472 1.00 0.00 H new ATOM 0 HA ILE A 60 -7.027 7.302 -4.034 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.924 5.429 -2.531 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.799 4.828 -4.849 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.052 4.928 -4.945 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.917 4.178 -1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.931 5.854 -1.214 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -9.956 5.394 -2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.795 2.599 -4.868 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.846 2.999 -3.417 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.620 2.899 -3.320 1.00 0.00 H new ATOM 986 N MET A 61 -8.848 7.604 -5.682 1.00 0.00 N ATOM 987 CA MET A 61 -9.868 7.790 -6.715 1.00 0.00 C ATOM 988 C MET A 61 -10.703 9.044 -6.434 1.00 0.00 C ATOM 989 O MET A 61 -10.509 10.083 -7.065 1.00 0.00 O ATOM 990 CB MET A 61 -10.763 6.548 -6.806 1.00 0.00 C ATOM 991 CG MET A 61 -11.660 6.510 -8.027 1.00 0.00 C ATOM 992 SD MET A 61 -12.818 5.129 -7.964 1.00 0.00 S ATOM 993 CE MET A 61 -13.611 5.274 -9.559 1.00 0.00 C ATOM 0 H MET A 61 -7.895 7.749 -6.015 1.00 0.00 H new ATOM 0 HA MET A 61 -9.369 7.927 -7.674 1.00 0.00 H new ATOM 0 HB2 MET A 61 -10.132 5.660 -6.806 1.00 0.00 H new ATOM 0 HB3 MET A 61 -11.385 6.497 -5.912 1.00 0.00 H new ATOM 0 HG2 MET A 61 -12.214 7.446 -8.100 1.00 0.00 H new ATOM 0 HG3 MET A 61 -11.048 6.431 -8.925 1.00 0.00 H new ATOM 0 HE1 MET A 61 -14.520 4.673 -9.569 1.00 0.00 H new ATOM 0 HE2 MET A 61 -13.864 6.318 -9.746 1.00 0.00 H new ATOM 0 HE3 MET A 61 -12.933 4.920 -10.336 1.00 0.00 H new ATOM 1003 N ASN A 62 -11.611 8.930 -5.474 1.00 0.00 N ATOM 1004 CA ASN A 62 -12.457 10.034 -5.026 1.00 0.00 C ATOM 1005 C ASN A 62 -13.343 9.525 -3.902 1.00 0.00 C ATOM 1006 O ASN A 62 -14.480 9.113 -4.130 1.00 0.00 O ATOM 1007 CB ASN A 62 -13.325 10.583 -6.163 1.00 0.00 C ATOM 1008 CG ASN A 62 -14.056 11.854 -5.772 1.00 0.00 C ATOM 1009 OD1 ASN A 62 -15.157 11.811 -5.224 1.00 0.00 O ATOM 1010 ND2 ASN A 62 -13.453 12.997 -6.054 1.00 0.00 N ATOM 0 H ASN A 62 -11.785 8.057 -4.976 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.821 10.850 -4.682 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.698 10.781 -7.032 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.051 9.826 -6.460 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -13.901 13.882 -5.816 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -12.540 12.993 -6.509 1.00 0.00 H new ATOM 1017 N THR A 63 -12.802 9.504 -2.697 1.00 0.00 N ATOM 1018 CA THR A 63 -13.459 8.828 -1.589 1.00 0.00 C ATOM 1019 C THR A 63 -13.305 9.588 -0.280 1.00 0.00 C ATOM 1020 O THR A 63 -14.260 9.733 0.485 1.00 0.00 O ATOM 1021 CB THR A 63 -12.868 7.420 -1.403 1.00 0.00 C ATOM 1022 OG1 THR A 63 -11.441 7.507 -1.281 1.00 0.00 O ATOM 1023 CG2 THR A 63 -13.210 6.524 -2.579 1.00 0.00 C ATOM 0 H THR A 63 -11.913 9.945 -2.460 1.00 0.00 H new ATOM 0 HA THR A 63 -14.519 8.773 -1.837 1.00 0.00 H new ATOM 0 HB THR A 63 -13.298 6.990 -0.498 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.030 7.398 -2.164 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.779 5.535 -2.420 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.293 6.438 -2.668 1.00 0.00 H new ATOM 0 HG23 THR A 63 -12.804 6.954 -3.494 1.00 0.00 H new ATOM 1031 N GLY A 64 -12.095 10.065 -0.027 1.00 0.00 N ATOM 1032 CA GLY A 64 -11.776 10.617 1.269 1.00 0.00 C ATOM 1033 C GLY A 64 -11.093 9.584 2.143 1.00 0.00 C ATOM 1034 O GLY A 64 -10.892 9.797 3.337 1.00 0.00 O ATOM 0 H GLY A 64 -11.328 10.079 -0.699 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.127 11.485 1.150 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.687 10.965 1.755 1.00 0.00 H new ATOM 1038 N VAL A 65 -10.760 8.444 1.539 1.00 0.00 N ATOM 1039 CA VAL A 65 -10.043 7.381 2.230 1.00 0.00 C ATOM 1040 C VAL A 65 -8.561 7.452 1.906 1.00 0.00 C ATOM 1041 O VAL A 65 -8.173 7.564 0.742 1.00 0.00 O ATOM 1042 CB VAL A 65 -10.578 5.984 1.836 1.00 0.00 C ATOM 1043 CG1 VAL A 65 -9.717 4.877 2.427 1.00 0.00 C ATOM 1044 CG2 VAL A 65 -12.016 5.812 2.280 1.00 0.00 C ATOM 0 H VAL A 65 -10.979 8.235 0.565 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.199 7.525 3.299 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.534 5.912 0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.118 3.907 2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.696 4.974 2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.719 4.955 3.514 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.370 4.822 1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.078 5.918 3.363 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.637 6.572 1.805 1.00 0.00 H new ATOM 1054 N ASP A 66 -7.745 7.388 2.939 1.00 0.00 N ATOM 1055 CA ASP A 66 -6.307 7.409 2.779 1.00 0.00 C ATOM 1056 C ASP A 66 -5.784 5.984 2.786 1.00 0.00 C ATOM 1057 O ASP A 66 -5.922 5.267 3.780 1.00 0.00 O ATOM 1058 CB ASP A 66 -5.642 8.209 3.901 1.00 0.00 C ATOM 1059 CG ASP A 66 -6.202 9.609 4.041 1.00 0.00 C ATOM 1060 OD1 ASP A 66 -5.797 10.500 3.271 1.00 0.00 O ATOM 1061 OD2 ASP A 66 -7.045 9.830 4.939 1.00 0.00 O ATOM 0 H ASP A 66 -8.059 7.320 3.907 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.067 7.890 1.831 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.769 7.677 4.844 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.570 8.269 3.711 1.00 0.00 H new ATOM 1066 N ILE A 67 -5.211 5.565 1.671 1.00 0.00 N ATOM 1067 CA ILE A 67 -4.671 4.222 1.560 1.00 0.00 C ATOM 1068 C ILE A 67 -3.290 4.174 2.180 1.00 0.00 C ATOM 1069 O ILE A 67 -2.304 4.606 1.576 1.00 0.00 O ATOM 1070 CB ILE A 67 -4.607 3.745 0.093 1.00 0.00 C ATOM 1071 CG1 ILE A 67 -6.008 3.733 -0.522 1.00 0.00 C ATOM 1072 CG2 ILE A 67 -3.971 2.362 -0.003 1.00 0.00 C ATOM 1073 CD1 ILE A 67 -6.989 2.833 0.204 1.00 0.00 C ATOM 0 H ILE A 67 -5.108 6.135 0.831 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.341 3.549 2.095 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.984 4.443 -0.466 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.400 4.750 -0.529 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.935 3.412 -1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.938 2.049 -1.046 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.958 2.399 0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.562 1.649 0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.959 2.878 -0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.621 1.807 0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.093 3.166 1.237 1.00 0.00 H new ATOM 1085 N ILE A 68 -3.234 3.675 3.398 1.00 0.00 N ATOM 1086 CA ILE A 68 -1.994 3.620 4.143 1.00 0.00 C ATOM 1087 C ILE A 68 -1.337 2.254 4.022 1.00 0.00 C ATOM 1088 O ILE A 68 -2.012 1.228 3.929 1.00 0.00 O ATOM 1089 CB ILE A 68 -2.207 3.944 5.639 1.00 0.00 C ATOM 1090 CG1 ILE A 68 -3.321 3.075 6.227 1.00 0.00 C ATOM 1091 CG2 ILE A 68 -2.522 5.417 5.832 1.00 0.00 C ATOM 1092 CD1 ILE A 68 -3.542 3.287 7.708 1.00 0.00 C ATOM 0 H ILE A 68 -4.041 3.299 3.896 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.340 4.376 3.708 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.281 3.721 6.169 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.250 3.284 5.697 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.082 2.026 6.051 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.668 5.622 6.893 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.694 6.018 5.457 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.431 5.669 5.285 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.346 2.637 8.053 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.627 3.050 8.250 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.813 4.327 7.890 1.00 0.00 H new ATOM 1104 N CYS A 69 -0.022 2.252 4.004 1.00 0.00 N ATOM 1105 CA CYS A 69 0.730 1.022 4.039 1.00 0.00 C ATOM 1106 C CYS A 69 1.230 0.783 5.452 1.00 0.00 C ATOM 1107 O CYS A 69 1.595 1.721 6.164 1.00 0.00 O ATOM 1108 CB CYS A 69 1.900 1.072 3.061 1.00 0.00 C ATOM 1109 SG CYS A 69 2.949 -0.395 3.108 1.00 0.00 S ATOM 0 H CYS A 69 0.550 3.096 3.965 1.00 0.00 H new ATOM 0 HA CYS A 69 0.081 0.199 3.739 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.512 1.198 2.050 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.508 1.950 3.280 1.00 0.00 H new ATOM 0 HG CYS A 69 2.220 -1.456 2.925 1.00 0.00 H new ATOM 1115 N THR A 70 1.234 -0.468 5.863 1.00 0.00 N ATOM 1116 CA THR A 70 1.598 -0.811 7.221 1.00 0.00 C ATOM 1117 C THR A 70 2.872 -1.656 7.240 1.00 0.00 C ATOM 1118 O THR A 70 3.301 -2.144 8.286 1.00 0.00 O ATOM 1119 CB THR A 70 0.434 -1.565 7.912 1.00 0.00 C ATOM 1120 OG1 THR A 70 0.697 -1.732 9.310 1.00 0.00 O ATOM 1121 CG2 THR A 70 0.199 -2.925 7.260 1.00 0.00 C ATOM 0 H THR A 70 0.989 -1.265 5.275 1.00 0.00 H new ATOM 0 HA THR A 70 1.792 0.109 7.772 1.00 0.00 H new ATOM 0 HB THR A 70 -0.467 -0.964 7.793 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.654 -1.895 9.446 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.623 -3.433 7.764 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.051 -2.786 6.208 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.103 -3.529 7.341 1.00 0.00 H new ATOM 1129 N LYS A 71 3.494 -1.803 6.084 1.00 0.00 N ATOM 1130 CA LYS A 71 4.716 -2.576 5.988 1.00 0.00 C ATOM 1131 C LYS A 71 5.916 -1.644 6.051 1.00 0.00 C ATOM 1132 O LYS A 71 5.872 -0.533 5.530 1.00 0.00 O ATOM 1133 CB LYS A 71 4.745 -3.387 4.691 1.00 0.00 C ATOM 1134 CG LYS A 71 5.861 -4.420 4.642 1.00 0.00 C ATOM 1135 CD LYS A 71 5.630 -5.532 5.655 1.00 0.00 C ATOM 1136 CE LYS A 71 6.806 -6.496 5.724 1.00 0.00 C ATOM 1137 NZ LYS A 71 8.043 -5.844 6.240 1.00 0.00 N ATOM 0 H LYS A 71 3.174 -1.399 5.204 1.00 0.00 H new ATOM 0 HA LYS A 71 4.756 -3.273 6.825 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.788 -3.893 4.568 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.856 -2.705 3.848 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.922 -4.845 3.640 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.817 -3.936 4.842 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.461 -5.096 6.639 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.726 -6.081 5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.546 -7.337 6.367 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.999 -6.902 4.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.803 -5.934 5.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.856 -4.837 6.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.335 -6.305 7.125 1.00 0.00 H new ATOM 1151 N ASN A 72 6.969 -2.080 6.715 1.00 0.00 N ATOM 1152 CA ASN A 72 8.198 -1.307 6.777 1.00 0.00 C ATOM 1153 C ASN A 72 9.129 -1.773 5.671 1.00 0.00 C ATOM 1154 O ASN A 72 9.604 -2.909 5.690 1.00 0.00 O ATOM 1155 CB ASN A 72 8.884 -1.462 8.144 1.00 0.00 C ATOM 1156 CG ASN A 72 8.090 -0.862 9.298 1.00 0.00 C ATOM 1157 OD1 ASN A 72 6.771 -0.939 9.224 1.00 0.00 O flip ATOM 1158 ND2 ASN A 72 8.663 -0.353 10.261 1.00 0.00 N flip ATOM 0 H ASN A 72 7.000 -2.966 7.220 1.00 0.00 H new ATOM 0 HA ASN A 72 7.958 -0.252 6.644 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.049 -2.521 8.340 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.865 -0.989 8.104 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.682 -0.311 10.284 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.119 0.027 11.036 1.00 0.00 H new ATOM 1165 N LEU A 73 9.356 -0.912 4.689 1.00 0.00 N ATOM 1166 CA LEU A 73 10.210 -1.257 3.563 1.00 0.00 C ATOM 1167 C LEU A 73 11.601 -0.656 3.745 1.00 0.00 C ATOM 1168 O LEU A 73 11.745 0.561 3.879 1.00 0.00 O ATOM 1169 CB LEU A 73 9.609 -0.777 2.233 1.00 0.00 C ATOM 1170 CG LEU A 73 8.280 -1.421 1.823 1.00 0.00 C ATOM 1171 CD1 LEU A 73 7.112 -0.799 2.571 1.00 0.00 C ATOM 1172 CD2 LEU A 73 8.078 -1.297 0.322 1.00 0.00 C ATOM 0 H LEU A 73 8.962 0.028 4.650 1.00 0.00 H new ATOM 0 HA LEU A 73 10.287 -2.344 3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.464 0.302 2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.337 -0.959 1.442 1.00 0.00 H new ATOM 0 HG LEU A 73 8.320 -2.478 2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.184 -1.277 2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.250 -0.940 3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.064 0.267 2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.131 -1.758 0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.065 -0.244 0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.893 -1.800 -0.198 1.00 0.00 H new ATOM 1184 N PRO A 74 12.638 -1.501 3.785 1.00 0.00 N ATOM 1185 CA PRO A 74 14.019 -1.053 3.868 1.00 0.00 C ATOM 1186 C PRO A 74 14.593 -0.738 2.487 1.00 0.00 C ATOM 1187 O PRO A 74 14.081 -1.210 1.469 1.00 0.00 O ATOM 1188 CB PRO A 74 14.757 -2.245 4.495 1.00 0.00 C ATOM 1189 CG PRO A 74 13.779 -3.383 4.538 1.00 0.00 C ATOM 1190 CD PRO A 74 12.557 -2.963 3.765 1.00 0.00 C ATOM 0 HA PRO A 74 14.117 -0.134 4.446 1.00 0.00 H new ATOM 0 HB2 PRO A 74 15.634 -2.511 3.905 1.00 0.00 H new ATOM 0 HB3 PRO A 74 15.109 -1.999 5.497 1.00 0.00 H new ATOM 0 HG2 PRO A 74 14.217 -4.281 4.103 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.516 -3.623 5.568 1.00 0.00 H new ATOM 0 HD2 PRO A 74 12.570 -3.354 2.747 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.641 -3.322 4.233 1.00 0.00 H new