USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=23 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 59 ASN : amide:sc= -3.39! C(o=-3.9!,f=-6!) USER MOD Set 1.2: A 62 ASN : amide:sc= -0.551! X(o=-3.9!,f=-4.4) USER MOD Set 2.1: A 50 THR OG1 : rot -170:sc= 0.136 USER MOD Set 2.2: A 54 ASN : amide:sc= -2.06! X(o=-1.9!,f=-1.7) USER MOD Set 3.1: A 52 SER OG : rot -179:sc= 0.557 USER MOD Set 3.2: A 70 THR OG1 : rot 24:sc= 0.631 USER MOD Set 4.1: A 18 TYR OH : rot 30:sc= 1.04 USER MOD Set 4.2: A 71 LYS NZ :NH3+ -139:sc= 1.26 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 65:sc= 0.427 USER MOD Single : A 8 SER OG : rot 141:sc= 1.48 USER MOD Single : A 15 SER OG : rot 180:sc= -0.0101 USER MOD Single : A 16 LYS NZ :NH3+ 149:sc= -0.45 (180deg=-1.6) USER MOD Single : A 17 LYS NZ :NH3+ 164:sc= -0.0262 (180deg=-0.189) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 109:sc= 1.17 USER MOD Single : A 26 ASN : amide:sc= -0.323 K(o=-0.32,f=-5.8!) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 1.24 (180deg=1.2) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -126:sc= 0.376 (180deg=-1.11) USER MOD Single : A 38 SER OG : rot -96:sc= 1.26 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 42 SER OG : rot -85:sc= 1.14 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 180:sc= -0.275 USER MOD Single : A 58 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0826) USER MOD Single : A 61 MET CE :methyl 162:sc= -0.0922 (180deg=-0.613) USER MOD Single : A 63 THR OG1 : rot -95:sc= 0.181 USER MOD Single : A 69 CYS SG : rot 51:sc= 0.289 USER MOD Single : A 72 ASN :FLIP amide:sc= -3.25! C(o=-6.7!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 3 -19.809 -2.273 5.764 1.00 0.00 N ATOM 39 CA LYS A 3 -18.545 -1.829 5.204 1.00 0.00 C ATOM 40 C LYS A 3 -17.384 -2.618 5.784 1.00 0.00 C ATOM 41 O LYS A 3 -17.504 -3.242 6.842 1.00 0.00 O ATOM 42 CB LYS A 3 -18.349 -0.337 5.460 1.00 0.00 C ATOM 43 CG LYS A 3 -19.427 0.522 4.825 1.00 0.00 C ATOM 44 CD LYS A 3 -19.137 2.001 4.989 1.00 0.00 C ATOM 45 CE LYS A 3 -20.212 2.856 4.338 1.00 0.00 C ATOM 46 NZ LYS A 3 -19.868 4.300 4.383 1.00 0.00 N ATOM 0 HA LYS A 3 -18.571 -2.004 4.128 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -18.336 -0.157 6.535 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.376 -0.033 5.074 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -19.505 0.282 3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -20.391 0.288 5.277 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -19.070 2.244 6.049 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.168 2.234 4.547 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -20.345 2.546 3.302 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -21.163 2.693 4.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -20.624 4.851 3.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.765 4.602 5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -18.973 4.460 3.878 1.00 0.00 H new ATOM 60 N ASP A 4 -16.264 -2.590 5.088 1.00 0.00 N ATOM 61 CA ASP A 4 -15.084 -3.326 5.511 1.00 0.00 C ATOM 62 C ASP A 4 -13.847 -2.467 5.311 1.00 0.00 C ATOM 63 O ASP A 4 -13.834 -1.581 4.456 1.00 0.00 O ATOM 64 CB ASP A 4 -14.960 -4.630 4.713 1.00 0.00 C ATOM 65 CG ASP A 4 -13.888 -5.555 5.255 1.00 0.00 C ATOM 66 OD1 ASP A 4 -14.084 -6.109 6.360 1.00 0.00 O ATOM 67 OD2 ASP A 4 -12.852 -5.747 4.582 1.00 0.00 O ATOM 0 H ASP A 4 -16.144 -2.063 4.223 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.177 -3.574 6.568 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -15.919 -5.148 4.723 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -14.736 -4.393 3.673 1.00 0.00 H new ATOM 72 N ILE A 5 -12.828 -2.696 6.121 1.00 0.00 N ATOM 73 CA ILE A 5 -11.566 -2.005 5.940 1.00 0.00 C ATOM 74 C ILE A 5 -10.863 -2.559 4.713 1.00 0.00 C ATOM 75 O ILE A 5 -10.394 -3.697 4.719 1.00 0.00 O ATOM 76 CB ILE A 5 -10.649 -2.140 7.175 1.00 0.00 C ATOM 77 CG1 ILE A 5 -11.266 -1.415 8.372 1.00 0.00 C ATOM 78 CG2 ILE A 5 -9.262 -1.588 6.871 1.00 0.00 C ATOM 79 CD1 ILE A 5 -11.409 0.078 8.165 1.00 0.00 C ATOM 0 H ILE A 5 -12.850 -3.350 6.904 1.00 0.00 H new ATOM 0 HA ILE A 5 -11.779 -0.944 5.807 1.00 0.00 H new ATOM 0 HB ILE A 5 -10.550 -3.197 7.423 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.248 -1.841 8.578 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -10.649 -1.594 9.253 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.628 -1.691 7.752 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.823 -2.143 6.042 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.341 -0.535 6.602 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.853 0.528 9.053 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.427 0.517 7.989 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.050 0.266 7.304 1.00 0.00 H new ATOM 91 N PHE A 6 -10.809 -1.747 3.669 1.00 0.00 N ATOM 92 CA PHE A 6 -10.220 -2.156 2.403 1.00 0.00 C ATOM 93 C PHE A 6 -8.765 -2.549 2.596 1.00 0.00 C ATOM 94 O PHE A 6 -7.886 -1.699 2.693 1.00 0.00 O ATOM 95 CB PHE A 6 -10.331 -1.020 1.375 1.00 0.00 C ATOM 96 CG PHE A 6 -9.605 -1.291 0.086 1.00 0.00 C ATOM 97 CD1 PHE A 6 -10.144 -2.143 -0.864 1.00 0.00 C ATOM 98 CD2 PHE A 6 -8.384 -0.692 -0.174 1.00 0.00 C ATOM 99 CE1 PHE A 6 -9.475 -2.395 -2.044 1.00 0.00 C ATOM 100 CE2 PHE A 6 -7.711 -0.939 -1.353 1.00 0.00 C ATOM 101 CZ PHE A 6 -8.258 -1.792 -2.289 1.00 0.00 C ATOM 0 H PHE A 6 -11.169 -0.793 3.674 1.00 0.00 H new ATOM 0 HA PHE A 6 -10.766 -3.022 2.030 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -11.384 -0.842 1.157 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -9.938 -0.104 1.816 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -11.098 -2.615 -0.679 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -7.953 -0.023 0.556 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -9.903 -3.064 -2.776 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -6.759 -0.466 -1.542 1.00 0.00 H new ATOM 0 HZ PHE A 6 -7.734 -1.988 -3.213 1.00 0.00 H new ATOM 111 N THR A 7 -8.522 -3.842 2.699 1.00 0.00 N ATOM 112 CA THR A 7 -7.178 -4.349 2.822 1.00 0.00 C ATOM 113 C THR A 7 -6.825 -5.136 1.563 1.00 0.00 C ATOM 114 O THR A 7 -7.496 -6.108 1.217 1.00 0.00 O ATOM 115 CB THR A 7 -7.046 -5.246 4.071 1.00 0.00 C ATOM 116 OG1 THR A 7 -7.585 -4.559 5.213 1.00 0.00 O ATOM 117 CG2 THR A 7 -5.589 -5.607 4.334 1.00 0.00 C ATOM 0 H THR A 7 -9.246 -4.560 2.699 1.00 0.00 H new ATOM 0 HA THR A 7 -6.488 -3.513 2.935 1.00 0.00 H new ATOM 0 HB THR A 7 -7.601 -6.167 3.894 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.548 -4.426 5.090 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.525 -6.239 5.220 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.186 -6.144 3.475 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.012 -4.696 4.496 1.00 0.00 H new ATOM 125 N SER A 8 -5.785 -4.706 0.869 1.00 0.00 N ATOM 126 CA SER A 8 -5.418 -5.305 -0.407 1.00 0.00 C ATOM 127 C SER A 8 -3.929 -5.147 -0.663 1.00 0.00 C ATOM 128 O SER A 8 -3.156 -4.942 0.269 1.00 0.00 O ATOM 129 CB SER A 8 -6.216 -4.650 -1.537 1.00 0.00 C ATOM 130 OG SER A 8 -7.607 -4.821 -1.342 1.00 0.00 O ATOM 0 H SER A 8 -5.177 -3.943 1.167 1.00 0.00 H new ATOM 0 HA SER A 8 -5.651 -6.369 -0.372 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.980 -3.587 -1.585 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.923 -5.085 -2.493 1.00 0.00 H new ATOM 0 HG SER A 8 -8.076 -3.998 -1.594 1.00 0.00 H new ATOM 136 N VAL A 9 -3.528 -5.252 -1.922 1.00 0.00 N ATOM 137 CA VAL A 9 -2.135 -5.108 -2.296 1.00 0.00 C ATOM 138 C VAL A 9 -1.985 -4.102 -3.432 1.00 0.00 C ATOM 139 O VAL A 9 -2.796 -4.072 -4.358 1.00 0.00 O ATOM 140 CB VAL A 9 -1.526 -6.471 -2.716 1.00 0.00 C ATOM 141 CG1 VAL A 9 -2.264 -7.061 -3.909 1.00 0.00 C ATOM 142 CG2 VAL A 9 -0.040 -6.340 -3.014 1.00 0.00 C ATOM 0 H VAL A 9 -4.156 -5.438 -2.704 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.594 -4.741 -1.424 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.644 -7.155 -1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.814 -8.016 -4.179 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.311 -7.214 -3.649 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.196 -6.376 -4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.360 -7.311 -3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.107 -5.628 -3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.480 -5.986 -2.124 1.00 0.00 H new ATOM 152 N VAL A 10 -0.966 -3.263 -3.337 1.00 0.00 N ATOM 153 CA VAL A 10 -0.638 -2.339 -4.407 1.00 0.00 C ATOM 154 C VAL A 10 0.649 -2.803 -5.077 1.00 0.00 C ATOM 155 O VAL A 10 1.538 -3.349 -4.413 1.00 0.00 O ATOM 156 CB VAL A 10 -0.485 -0.883 -3.893 1.00 0.00 C ATOM 157 CG1 VAL A 10 0.651 -0.770 -2.890 1.00 0.00 C ATOM 158 CG2 VAL A 10 -0.282 0.087 -5.049 1.00 0.00 C ATOM 0 H VAL A 10 -0.350 -3.204 -2.526 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.458 -2.336 -5.125 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.411 -0.614 -3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.733 0.262 -2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.450 -1.420 -2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.586 -1.071 -3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.178 1.100 -4.660 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.619 -0.185 -5.598 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.142 0.042 -5.717 1.00 0.00 H new ATOM 168 N ARG A 11 0.739 -2.629 -6.386 1.00 0.00 N ATOM 169 CA ARG A 11 1.915 -3.065 -7.114 1.00 0.00 C ATOM 170 C ARG A 11 3.027 -2.036 -6.983 1.00 0.00 C ATOM 171 O ARG A 11 2.809 -0.830 -7.117 1.00 0.00 O ATOM 172 CB ARG A 11 1.576 -3.357 -8.576 1.00 0.00 C ATOM 173 CG ARG A 11 0.665 -4.565 -8.723 1.00 0.00 C ATOM 174 CD ARG A 11 0.355 -4.896 -10.172 1.00 0.00 C ATOM 175 NE ARG A 11 -0.453 -6.114 -10.278 1.00 0.00 N ATOM 176 CZ ARG A 11 -1.305 -6.369 -11.269 1.00 0.00 C ATOM 177 NH1 ARG A 11 -1.497 -5.480 -12.233 1.00 0.00 N ATOM 178 NH2 ARG A 11 -1.982 -7.506 -11.276 1.00 0.00 N ATOM 0 H ARG A 11 0.018 -2.193 -6.960 1.00 0.00 H new ATOM 0 HA ARG A 11 2.272 -3.998 -6.677 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.094 -2.484 -9.017 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.497 -3.528 -9.134 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.134 -5.428 -8.251 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.267 -4.378 -8.190 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.177 -4.063 -10.632 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.285 -5.025 -10.725 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.356 -6.814 -9.543 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.991 -4.595 -12.218 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.151 -5.681 -12.989 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.850 -8.183 -10.524 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.636 -7.706 -12.033 1.00 0.00 H new ATOM 192 N VAL A 12 4.216 -2.532 -6.702 1.00 0.00 N ATOM 193 CA VAL A 12 5.332 -1.697 -6.314 1.00 0.00 C ATOM 194 C VAL A 12 6.459 -1.770 -7.339 1.00 0.00 C ATOM 195 O VAL A 12 6.626 -2.784 -8.021 1.00 0.00 O ATOM 196 CB VAL A 12 5.844 -2.140 -4.924 1.00 0.00 C ATOM 197 CG1 VAL A 12 7.186 -1.525 -4.594 1.00 0.00 C ATOM 198 CG2 VAL A 12 4.824 -1.793 -3.852 1.00 0.00 C ATOM 0 H VAL A 12 4.434 -3.528 -6.737 1.00 0.00 H new ATOM 0 HA VAL A 12 4.993 -0.662 -6.267 1.00 0.00 H new ATOM 0 HB VAL A 12 5.979 -3.221 -4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.509 -1.863 -3.609 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.919 -1.830 -5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.098 -0.439 -4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.197 -2.110 -2.878 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.657 -0.716 -3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.885 -2.304 -4.065 1.00 0.00 H new ATOM 208 N ARG A 13 7.223 -0.693 -7.460 1.00 0.00 N ATOM 209 CA ARG A 13 8.383 -0.705 -8.326 1.00 0.00 C ATOM 210 C ARG A 13 9.648 -0.766 -7.479 1.00 0.00 C ATOM 211 O ARG A 13 9.690 -0.228 -6.368 1.00 0.00 O ATOM 212 CB ARG A 13 8.398 0.513 -9.253 1.00 0.00 C ATOM 213 CG ARG A 13 9.259 0.304 -10.492 1.00 0.00 C ATOM 214 CD ARG A 13 9.033 1.388 -11.535 1.00 0.00 C ATOM 215 NE ARG A 13 9.548 2.686 -11.108 1.00 0.00 N ATOM 216 CZ ARG A 13 9.207 3.845 -11.671 1.00 0.00 C ATOM 217 NH1 ARG A 13 8.369 3.863 -12.704 1.00 0.00 N ATOM 218 NH2 ARG A 13 9.710 4.982 -11.207 1.00 0.00 N ATOM 0 H ARG A 13 7.059 0.188 -6.974 1.00 0.00 H new ATOM 0 HA ARG A 13 8.338 -1.590 -8.961 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.378 0.742 -9.560 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.767 1.378 -8.702 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.310 0.292 -10.205 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.036 -0.670 -10.928 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.516 1.097 -12.468 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.966 1.473 -11.741 1.00 0.00 H new ATOM 0 HE ARG A 13 10.209 2.707 -10.331 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.987 2.989 -13.066 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.109 4.750 -13.134 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.358 4.969 -10.419 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.449 5.869 -11.638 1.00 0.00 H new ATOM 232 N GLY A 14 10.653 -1.451 -7.999 1.00 0.00 N ATOM 233 CA GLY A 14 11.887 -1.683 -7.280 1.00 0.00 C ATOM 234 C GLY A 14 12.759 -0.453 -7.105 1.00 0.00 C ATOM 235 O GLY A 14 13.880 -0.403 -7.610 1.00 0.00 O ATOM 0 H GLY A 14 10.633 -1.861 -8.933 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.648 -2.085 -6.296 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.460 -2.446 -7.806 1.00 0.00 H new ATOM 239 N SER A 15 12.246 0.534 -6.383 1.00 0.00 N ATOM 240 CA SER A 15 13.074 1.615 -5.864 1.00 0.00 C ATOM 241 C SER A 15 13.668 1.143 -4.541 1.00 0.00 C ATOM 242 O SER A 15 14.349 1.875 -3.822 1.00 0.00 O ATOM 243 CB SER A 15 12.228 2.874 -5.667 1.00 0.00 C ATOM 244 OG SER A 15 11.500 3.179 -6.846 1.00 0.00 O ATOM 0 H SER A 15 11.258 0.609 -6.143 1.00 0.00 H new ATOM 0 HA SER A 15 13.873 1.864 -6.563 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.539 2.728 -4.835 1.00 0.00 H new ATOM 0 HB3 SER A 15 12.872 3.713 -5.404 1.00 0.00 H new ATOM 0 HG SER A 15 10.964 3.986 -6.700 1.00 0.00 H new ATOM 250 N LYS A 16 13.367 -0.115 -4.255 1.00 0.00 N ATOM 251 CA LYS A 16 13.813 -0.824 -3.075 1.00 0.00 C ATOM 252 C LYS A 16 13.669 -2.317 -3.349 1.00 0.00 C ATOM 253 O LYS A 16 13.233 -2.694 -4.437 1.00 0.00 O ATOM 254 CB LYS A 16 13.000 -0.403 -1.843 1.00 0.00 C ATOM 255 CG LYS A 16 11.529 -0.106 -2.113 1.00 0.00 C ATOM 256 CD LYS A 16 10.757 -1.306 -2.636 1.00 0.00 C ATOM 257 CE LYS A 16 9.343 -1.298 -2.092 1.00 0.00 C ATOM 258 NZ LYS A 16 8.647 -0.014 -2.374 1.00 0.00 N ATOM 0 H LYS A 16 12.783 -0.688 -4.865 1.00 0.00 H new ATOM 0 HA LYS A 16 14.854 -0.584 -2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.064 -1.194 -1.096 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.460 0.484 -1.408 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.062 0.244 -1.193 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.457 0.706 -2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.735 -1.286 -3.726 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.261 -2.227 -2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.780 -2.121 -2.533 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.367 -1.469 -1.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.628 -0.189 -2.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.799 0.644 -1.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.026 0.402 -3.249 1.00 0.00 H new ATOM 272 N LYS A 17 13.990 -3.165 -2.387 1.00 0.00 N ATOM 273 CA LYS A 17 13.985 -4.599 -2.642 1.00 0.00 C ATOM 274 C LYS A 17 12.644 -5.229 -2.258 1.00 0.00 C ATOM 275 O LYS A 17 12.528 -5.871 -1.213 1.00 0.00 O ATOM 276 CB LYS A 17 15.126 -5.284 -1.888 1.00 0.00 C ATOM 277 CG LYS A 17 15.620 -6.560 -2.560 1.00 0.00 C ATOM 278 CD LYS A 17 16.616 -7.304 -1.688 1.00 0.00 C ATOM 279 CE LYS A 17 15.929 -7.974 -0.509 1.00 0.00 C ATOM 280 NZ LYS A 17 15.066 -9.108 -0.939 1.00 0.00 N ATOM 0 H LYS A 17 14.253 -2.895 -1.439 1.00 0.00 H new ATOM 0 HA LYS A 17 14.133 -4.745 -3.712 1.00 0.00 H new ATOM 0 HB2 LYS A 17 15.959 -4.587 -1.794 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.793 -5.521 -0.878 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.771 -7.209 -2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 17 16.085 -6.312 -3.514 1.00 0.00 H new ATOM 0 HD2 LYS A 17 17.134 -8.055 -2.284 1.00 0.00 H new ATOM 0 HD3 LYS A 17 17.373 -6.609 -1.323 1.00 0.00 H new ATOM 0 HE2 LYS A 17 16.682 -8.336 0.191 1.00 0.00 H new ATOM 0 HE3 LYS A 17 15.325 -7.240 0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.835 -9.700 -0.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.188 -8.738 -1.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.571 -9.680 -1.646 1.00 0.00 H new ATOM 294 N TYR A 18 11.630 -5.013 -3.100 1.00 0.00 N ATOM 295 CA TYR A 18 10.304 -5.604 -2.903 1.00 0.00 C ATOM 296 C TYR A 18 9.417 -5.286 -4.108 1.00 0.00 C ATOM 297 O TYR A 18 9.512 -4.197 -4.674 1.00 0.00 O ATOM 298 CB TYR A 18 9.658 -5.080 -1.616 1.00 0.00 C ATOM 299 CG TYR A 18 8.718 -6.069 -0.955 1.00 0.00 C ATOM 300 CD1 TYR A 18 8.625 -7.380 -1.409 1.00 0.00 C ATOM 301 CD2 TYR A 18 7.936 -5.698 0.130 1.00 0.00 C ATOM 302 CE1 TYR A 18 7.783 -8.289 -0.800 1.00 0.00 C ATOM 303 CE2 TYR A 18 7.087 -6.601 0.744 1.00 0.00 C ATOM 304 CZ TYR A 18 7.015 -7.896 0.272 1.00 0.00 C ATOM 305 OH TYR A 18 6.179 -8.804 0.881 1.00 0.00 O ATOM 0 H TYR A 18 11.704 -4.428 -3.932 1.00 0.00 H new ATOM 0 HA TYR A 18 10.413 -6.684 -2.810 1.00 0.00 H new ATOM 0 HB2 TYR A 18 10.444 -4.812 -0.909 1.00 0.00 H new ATOM 0 HB3 TYR A 18 9.108 -4.167 -1.843 1.00 0.00 H new ATOM 0 HD1 TYR A 18 9.222 -7.693 -2.253 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.991 -4.686 0.502 1.00 0.00 H new ATOM 0 HE1 TYR A 18 7.727 -9.304 -1.164 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.485 -6.295 1.587 1.00 0.00 H new ATOM 0 HH TYR A 18 6.557 -9.704 0.797 1.00 0.00 H new ATOM 315 N ASN A 19 8.559 -6.229 -4.493 1.00 0.00 N ATOM 316 CA ASN A 19 7.764 -6.090 -5.716 1.00 0.00 C ATOM 317 C ASN A 19 6.344 -5.602 -5.436 1.00 0.00 C ATOM 318 O ASN A 19 5.757 -4.895 -6.249 1.00 0.00 O ATOM 319 CB ASN A 19 7.701 -7.423 -6.466 1.00 0.00 C ATOM 320 CG ASN A 19 9.072 -7.966 -6.829 1.00 0.00 C ATOM 321 OD1 ASN A 19 9.679 -8.706 -6.057 1.00 0.00 O ATOM 322 ND2 ASN A 19 9.568 -7.612 -8.004 1.00 0.00 N ATOM 0 H ASN A 19 8.395 -7.095 -3.979 1.00 0.00 H new ATOM 0 HA ASN A 19 8.262 -5.339 -6.330 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.178 -8.155 -5.851 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.115 -7.294 -7.376 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.483 -7.955 -8.296 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.035 -6.996 -8.618 1.00 0.00 H new ATOM 329 N VAL A 20 5.787 -5.999 -4.302 1.00 0.00 N ATOM 330 CA VAL A 20 4.424 -5.610 -3.940 1.00 0.00 C ATOM 331 C VAL A 20 4.322 -5.360 -2.442 1.00 0.00 C ATOM 332 O VAL A 20 5.204 -5.763 -1.684 1.00 0.00 O ATOM 333 CB VAL A 20 3.382 -6.685 -4.338 1.00 0.00 C ATOM 334 CG1 VAL A 20 3.200 -6.748 -5.848 1.00 0.00 C ATOM 335 CG2 VAL A 20 3.775 -8.051 -3.790 1.00 0.00 C ATOM 0 H VAL A 20 6.254 -6.590 -3.614 1.00 0.00 H new ATOM 0 HA VAL A 20 4.203 -4.696 -4.491 1.00 0.00 H new ATOM 0 HB VAL A 20 2.428 -6.398 -3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.463 -7.512 -6.094 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.856 -5.780 -6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.151 -6.997 -6.319 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.028 -8.789 -4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.746 -8.339 -4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.832 -8.004 -2.703 1.00 0.00 H new ATOM 345 N VAL A 21 3.257 -4.691 -2.020 1.00 0.00 N ATOM 346 CA VAL A 21 3.041 -4.436 -0.600 1.00 0.00 C ATOM 347 C VAL A 21 1.544 -4.261 -0.302 1.00 0.00 C ATOM 348 O VAL A 21 0.808 -3.672 -1.099 1.00 0.00 O ATOM 349 CB VAL A 21 3.841 -3.190 -0.135 1.00 0.00 C ATOM 350 CG1 VAL A 21 3.249 -1.900 -0.683 1.00 0.00 C ATOM 351 CG2 VAL A 21 3.942 -3.137 1.381 1.00 0.00 C ATOM 0 H VAL A 21 2.534 -4.317 -2.634 1.00 0.00 H new ATOM 0 HA VAL A 21 3.403 -5.299 -0.042 1.00 0.00 H new ATOM 0 HB VAL A 21 4.848 -3.286 -0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.838 -1.052 -0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.263 -1.927 -1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.221 -1.795 -0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.508 -2.254 1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.942 -3.088 1.811 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.449 -4.031 1.743 1.00 0.00 H new ATOM 361 N PRO A 22 1.063 -4.809 0.830 1.00 0.00 N ATOM 362 CA PRO A 22 -0.341 -4.705 1.219 1.00 0.00 C ATOM 363 C PRO A 22 -0.686 -3.353 1.841 1.00 0.00 C ATOM 364 O PRO A 22 0.126 -2.745 2.545 1.00 0.00 O ATOM 365 CB PRO A 22 -0.505 -5.823 2.246 1.00 0.00 C ATOM 366 CG PRO A 22 0.838 -5.966 2.869 1.00 0.00 C ATOM 367 CD PRO A 22 1.844 -5.585 1.811 1.00 0.00 C ATOM 0 HA PRO A 22 -1.005 -4.791 0.359 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -1.261 -5.570 2.989 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.822 -6.752 1.772 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.931 -5.321 3.743 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.001 -6.989 3.209 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.657 -4.993 2.230 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.294 -6.466 1.354 1.00 0.00 H new ATOM 375 N VAL A 23 -1.901 -2.899 1.575 1.00 0.00 N ATOM 376 CA VAL A 23 -2.383 -1.618 2.069 1.00 0.00 C ATOM 377 C VAL A 23 -3.752 -1.788 2.718 1.00 0.00 C ATOM 378 O VAL A 23 -4.384 -2.837 2.580 1.00 0.00 O ATOM 379 CB VAL A 23 -2.493 -0.574 0.934 1.00 0.00 C ATOM 380 CG1 VAL A 23 -1.134 -0.306 0.312 1.00 0.00 C ATOM 381 CG2 VAL A 23 -3.479 -1.038 -0.125 1.00 0.00 C ATOM 0 H VAL A 23 -2.581 -3.408 1.010 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.661 -1.260 2.803 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.860 0.357 1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.237 0.432 -0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.454 0.075 1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.734 -1.232 -0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.543 -0.290 -0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.141 -1.984 -0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.462 -1.173 0.327 1.00 0.00 H new ATOM 391 N LYS A 24 -4.202 -0.762 3.418 1.00 0.00 N ATOM 392 CA LYS A 24 -5.506 -0.779 4.058 1.00 0.00 C ATOM 393 C LYS A 24 -6.174 0.585 3.938 1.00 0.00 C ATOM 394 O LYS A 24 -5.561 1.549 3.477 1.00 0.00 O ATOM 395 CB LYS A 24 -5.383 -1.163 5.536 1.00 0.00 C ATOM 396 CG LYS A 24 -4.432 -0.270 6.324 1.00 0.00 C ATOM 397 CD LYS A 24 -4.633 -0.411 7.827 1.00 0.00 C ATOM 398 CE LYS A 24 -4.490 -1.852 8.289 1.00 0.00 C ATOM 399 NZ LYS A 24 -4.729 -1.991 9.748 1.00 0.00 N ATOM 0 H LYS A 24 -3.678 0.102 3.559 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.119 -1.525 3.552 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.370 -1.123 5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.040 -2.195 5.607 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.403 -0.523 6.070 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.586 0.769 6.033 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.906 0.211 8.350 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.622 -0.040 8.097 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.195 -2.480 7.744 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.490 -2.213 8.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.622 -2.988 10.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.040 -1.412 10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.692 -1.671 9.974 1.00 0.00 H new ATOM 413 N SER A 25 -7.421 0.664 4.370 1.00 0.00 N ATOM 414 CA SER A 25 -8.131 1.932 4.394 1.00 0.00 C ATOM 415 C SER A 25 -8.314 2.396 5.834 1.00 0.00 C ATOM 416 O SER A 25 -8.588 1.593 6.726 1.00 0.00 O ATOM 417 CB SER A 25 -9.493 1.808 3.698 1.00 0.00 C ATOM 418 OG SER A 25 -10.341 0.886 4.364 1.00 0.00 O ATOM 0 H SER A 25 -7.962 -0.132 4.708 1.00 0.00 H new ATOM 0 HA SER A 25 -7.540 2.671 3.853 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.974 2.785 3.663 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.347 1.488 2.666 1.00 0.00 H new ATOM 0 HG SER A 25 -11.065 1.372 4.812 1.00 0.00 H new ATOM 424 N ASN A 26 -8.130 3.689 6.064 1.00 0.00 N ATOM 425 CA ASN A 26 -8.254 4.250 7.402 1.00 0.00 C ATOM 426 C ASN A 26 -9.703 4.196 7.882 1.00 0.00 C ATOM 427 O ASN A 26 -9.971 4.025 9.072 1.00 0.00 O ATOM 428 CB ASN A 26 -7.743 5.696 7.434 1.00 0.00 C ATOM 429 CG ASN A 26 -8.559 6.649 6.573 1.00 0.00 C ATOM 430 OD1 ASN A 26 -9.109 6.269 5.539 1.00 0.00 O ATOM 431 ND2 ASN A 26 -8.651 7.894 7.000 1.00 0.00 N ATOM 0 H ASN A 26 -7.894 4.369 5.341 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.643 3.648 8.075 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.751 6.053 8.464 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.706 5.714 7.099 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.191 8.577 6.469 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.182 8.174 7.861 1.00 0.00 H new ATOM 438 N LYS A 27 -10.631 4.341 6.950 1.00 0.00 N ATOM 439 CA LYS A 27 -12.050 4.294 7.262 1.00 0.00 C ATOM 440 C LYS A 27 -12.696 3.097 6.577 1.00 0.00 C ATOM 441 O LYS A 27 -12.263 2.688 5.497 1.00 0.00 O ATOM 442 CB LYS A 27 -12.744 5.594 6.825 1.00 0.00 C ATOM 443 CG LYS A 27 -12.325 6.810 7.640 1.00 0.00 C ATOM 444 CD LYS A 27 -12.957 8.092 7.120 1.00 0.00 C ATOM 445 CE LYS A 27 -12.389 8.489 5.767 1.00 0.00 C ATOM 446 NZ LYS A 27 -12.890 9.814 5.318 1.00 0.00 N ATOM 0 H LYS A 27 -10.424 4.494 5.963 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.164 4.189 8.341 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.524 5.778 5.773 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.823 5.466 6.907 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.609 6.663 8.682 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.239 6.906 7.616 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.036 7.959 7.037 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.789 8.897 7.836 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.301 8.514 5.824 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.652 7.733 5.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.366 10.115 4.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.903 9.744 5.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.753 10.512 6.076 1.00 0.00 H new ATOM 460 N PRO A 28 -13.717 2.502 7.213 1.00 0.00 N ATOM 461 CA PRO A 28 -14.464 1.382 6.638 1.00 0.00 C ATOM 462 C PRO A 28 -15.190 1.803 5.367 1.00 0.00 C ATOM 463 O PRO A 28 -16.021 2.711 5.384 1.00 0.00 O ATOM 464 CB PRO A 28 -15.468 1.003 7.736 1.00 0.00 C ATOM 465 CG PRO A 28 -14.936 1.623 8.981 1.00 0.00 C ATOM 466 CD PRO A 28 -14.219 2.867 8.546 1.00 0.00 C ATOM 0 HA PRO A 28 -13.817 0.553 6.353 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.465 1.378 7.504 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.550 -0.079 7.839 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.742 1.859 9.675 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.259 0.943 9.498 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -14.888 3.727 8.505 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.408 3.126 9.227 1.00 0.00 H new ATOM 474 N VAL A 29 -14.868 1.150 4.271 1.00 0.00 N ATOM 475 CA VAL A 29 -15.412 1.522 2.978 1.00 0.00 C ATOM 476 C VAL A 29 -16.349 0.435 2.452 1.00 0.00 C ATOM 477 O VAL A 29 -16.216 -0.736 2.815 1.00 0.00 O ATOM 478 CB VAL A 29 -14.266 1.804 1.971 1.00 0.00 C ATOM 479 CG1 VAL A 29 -13.311 0.625 1.886 1.00 0.00 C ATOM 480 CG2 VAL A 29 -14.804 2.164 0.593 1.00 0.00 C ATOM 0 H VAL A 29 -14.229 0.355 4.248 1.00 0.00 H new ATOM 0 HA VAL A 29 -15.994 2.436 3.097 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.712 2.666 2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.518 0.850 1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -12.875 0.439 2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -13.855 -0.260 1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.971 2.354 -0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -15.403 1.338 0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -15.424 3.058 0.666 1.00 0.00 H new ATOM 490 N GLU A 30 -17.325 0.844 1.643 1.00 0.00 N ATOM 491 CA GLU A 30 -18.247 -0.082 0.999 1.00 0.00 C ATOM 492 C GLU A 30 -17.496 -1.193 0.277 1.00 0.00 C ATOM 493 O GLU A 30 -16.580 -0.928 -0.507 1.00 0.00 O ATOM 494 CB GLU A 30 -19.126 0.666 -0.003 1.00 0.00 C ATOM 495 CG GLU A 30 -20.218 1.506 0.633 1.00 0.00 C ATOM 496 CD GLU A 30 -21.360 0.662 1.154 1.00 0.00 C ATOM 497 OE1 GLU A 30 -22.108 0.100 0.330 1.00 0.00 O ATOM 498 OE2 GLU A 30 -21.519 0.550 2.387 1.00 0.00 O ATOM 0 H GLU A 30 -17.496 1.824 1.418 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.869 -0.528 1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -18.494 1.312 -0.612 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -19.585 -0.057 -0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -19.795 2.088 1.452 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -20.599 2.217 -0.099 1.00 0.00 H new ATOM 505 N ILE A 31 -17.902 -2.432 0.532 1.00 0.00 N ATOM 506 CA ILE A 31 -17.280 -3.600 -0.087 1.00 0.00 C ATOM 507 C ILE A 31 -17.418 -3.564 -1.607 1.00 0.00 C ATOM 508 O ILE A 31 -16.682 -4.239 -2.325 1.00 0.00 O ATOM 509 CB ILE A 31 -17.889 -4.916 0.448 1.00 0.00 C ATOM 510 CG1 ILE A 31 -19.407 -4.931 0.234 1.00 0.00 C ATOM 511 CG2 ILE A 31 -17.554 -5.090 1.923 1.00 0.00 C ATOM 512 CD1 ILE A 31 -20.078 -6.220 0.668 1.00 0.00 C ATOM 0 H ILE A 31 -18.666 -2.656 1.169 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.223 -3.567 0.175 1.00 0.00 H new ATOM 0 HB ILE A 31 -17.458 -5.750 -0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -19.849 -4.100 0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.616 -4.762 -0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -17.989 -6.021 2.288 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -16.472 -5.121 2.049 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -17.961 -4.253 2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -21.150 -6.152 0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -19.665 -7.054 0.101 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -19.902 -6.382 1.731 1.00 0.00 H new ATOM 524 N SER A 32 -18.357 -2.761 -2.090 1.00 0.00 N ATOM 525 CA SER A 32 -18.584 -2.610 -3.516 1.00 0.00 C ATOM 526 C SER A 32 -17.361 -2.007 -4.207 1.00 0.00 C ATOM 527 O SER A 32 -17.026 -2.382 -5.330 1.00 0.00 O ATOM 528 CB SER A 32 -19.807 -1.729 -3.750 1.00 0.00 C ATOM 529 OG SER A 32 -20.919 -2.205 -3.004 1.00 0.00 O ATOM 0 H SER A 32 -18.978 -2.200 -1.506 1.00 0.00 H new ATOM 0 HA SER A 32 -18.760 -3.597 -3.944 1.00 0.00 H new ATOM 0 HB2 SER A 32 -19.582 -0.702 -3.462 1.00 0.00 H new ATOM 0 HB3 SER A 32 -20.054 -1.715 -4.812 1.00 0.00 H new ATOM 0 HG SER A 32 -21.693 -1.626 -3.166 1.00 0.00 H new ATOM 535 N LYS A 33 -16.675 -1.095 -3.522 1.00 0.00 N ATOM 536 CA LYS A 33 -15.533 -0.412 -4.117 1.00 0.00 C ATOM 537 C LYS A 33 -14.224 -1.082 -3.740 1.00 0.00 C ATOM 538 O LYS A 33 -13.144 -0.545 -3.990 1.00 0.00 O ATOM 539 CB LYS A 33 -15.509 1.066 -3.734 1.00 0.00 C ATOM 540 CG LYS A 33 -16.622 1.854 -4.392 1.00 0.00 C ATOM 541 CD LYS A 33 -16.222 3.296 -4.651 1.00 0.00 C ATOM 542 CE LYS A 33 -17.181 3.947 -5.631 1.00 0.00 C ATOM 543 NZ LYS A 33 -17.233 3.206 -6.923 1.00 0.00 N ATOM 0 H LYS A 33 -16.888 -0.815 -2.565 1.00 0.00 H new ATOM 0 HA LYS A 33 -15.646 -0.481 -5.199 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.594 1.159 -2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -14.548 1.496 -4.017 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.895 1.379 -5.334 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.507 1.832 -3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -16.218 3.852 -3.714 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -15.207 3.332 -5.048 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -18.178 3.986 -5.193 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -16.872 4.976 -5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -17.038 3.861 -7.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -16.520 2.449 -6.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -18.178 2.790 -7.047 1.00 0.00 H new ATOM 557 N TRP A 34 -14.324 -2.263 -3.149 1.00 0.00 N ATOM 558 CA TRP A 34 -13.151 -3.080 -2.890 1.00 0.00 C ATOM 559 C TRP A 34 -12.507 -3.428 -4.228 1.00 0.00 C ATOM 560 O TRP A 34 -11.283 -3.401 -4.385 1.00 0.00 O ATOM 561 CB TRP A 34 -13.559 -4.356 -2.141 1.00 0.00 C ATOM 562 CG TRP A 34 -12.420 -5.076 -1.487 1.00 0.00 C ATOM 563 CD1 TRP A 34 -12.038 -4.974 -0.181 1.00 0.00 C ATOM 564 CD2 TRP A 34 -11.521 -6.012 -2.095 1.00 0.00 C ATOM 565 NE1 TRP A 34 -10.958 -5.785 0.060 1.00 0.00 N ATOM 566 CE2 TRP A 34 -10.620 -6.432 -1.100 1.00 0.00 C ATOM 567 CE3 TRP A 34 -11.389 -6.532 -3.386 1.00 0.00 C ATOM 568 CZ2 TRP A 34 -9.604 -7.349 -1.353 1.00 0.00 C ATOM 569 CZ3 TRP A 34 -10.380 -7.441 -3.636 1.00 0.00 C ATOM 570 CH2 TRP A 34 -9.499 -7.843 -2.624 1.00 0.00 C ATOM 0 H TRP A 34 -15.204 -2.676 -2.841 1.00 0.00 H new ATOM 0 HA TRP A 34 -12.439 -2.536 -2.269 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -14.295 -4.097 -1.380 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -14.048 -5.034 -2.841 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -12.516 -4.346 0.556 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -10.484 -5.889 0.957 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -12.063 -6.228 -4.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -8.923 -7.659 -0.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -10.268 -7.849 -4.630 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -8.721 -8.557 -2.852 1.00 0.00 H new ATOM 581 N ILE A 35 -13.362 -3.712 -5.202 1.00 0.00 N ATOM 582 CA ILE A 35 -12.925 -4.027 -6.552 1.00 0.00 C ATOM 583 C ILE A 35 -12.372 -2.779 -7.237 1.00 0.00 C ATOM 584 O ILE A 35 -11.358 -2.840 -7.923 1.00 0.00 O ATOM 585 CB ILE A 35 -14.085 -4.604 -7.393 1.00 0.00 C ATOM 586 CG1 ILE A 35 -14.734 -5.780 -6.656 1.00 0.00 C ATOM 587 CG2 ILE A 35 -13.587 -5.042 -8.764 1.00 0.00 C ATOM 588 CD1 ILE A 35 -15.953 -6.345 -7.351 1.00 0.00 C ATOM 0 H ILE A 35 -14.374 -3.730 -5.077 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.140 -4.779 -6.479 1.00 0.00 H new ATOM 0 HB ILE A 35 -14.833 -3.825 -7.536 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -13.996 -6.573 -6.538 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -15.017 -5.456 -5.654 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.419 -5.446 -9.341 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.163 -4.185 -9.288 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -12.822 -5.809 -8.645 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -16.354 -7.173 -6.767 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -16.711 -5.567 -7.446 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -15.674 -6.702 -8.342 1.00 0.00 H new ATOM 600 N ASP A 36 -13.044 -1.648 -7.026 1.00 0.00 N ATOM 601 CA ASP A 36 -12.627 -0.375 -7.618 1.00 0.00 C ATOM 602 C ASP A 36 -11.202 -0.017 -7.227 1.00 0.00 C ATOM 603 O ASP A 36 -10.350 0.216 -8.085 1.00 0.00 O ATOM 604 CB ASP A 36 -13.551 0.770 -7.187 1.00 0.00 C ATOM 605 CG ASP A 36 -14.822 0.855 -7.998 1.00 0.00 C ATOM 606 OD1 ASP A 36 -14.735 1.103 -9.220 1.00 0.00 O ATOM 607 OD2 ASP A 36 -15.913 0.702 -7.414 1.00 0.00 O ATOM 0 H ASP A 36 -13.882 -1.586 -6.448 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.684 -0.505 -8.699 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.808 0.643 -6.135 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.011 1.713 -7.271 1.00 0.00 H new ATOM 612 N PHE A 37 -10.944 0.021 -5.928 1.00 0.00 N ATOM 613 CA PHE A 37 -9.652 0.469 -5.431 1.00 0.00 C ATOM 614 C PHE A 37 -8.538 -0.505 -5.805 1.00 0.00 C ATOM 615 O PHE A 37 -7.439 -0.082 -6.160 1.00 0.00 O ATOM 616 CB PHE A 37 -9.699 0.683 -3.917 1.00 0.00 C ATOM 617 CG PHE A 37 -10.625 1.791 -3.487 1.00 0.00 C ATOM 618 CD1 PHE A 37 -10.965 2.815 -4.361 1.00 0.00 C ATOM 619 CD2 PHE A 37 -11.154 1.809 -2.209 1.00 0.00 C ATOM 620 CE1 PHE A 37 -11.813 3.833 -3.967 1.00 0.00 C ATOM 621 CE2 PHE A 37 -12.002 2.825 -1.807 1.00 0.00 C ATOM 622 CZ PHE A 37 -12.334 3.836 -2.688 1.00 0.00 C ATOM 0 H PHE A 37 -11.608 -0.251 -5.203 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.428 1.423 -5.908 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -10.011 -0.245 -3.438 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.693 0.904 -3.559 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -10.561 2.816 -5.363 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -10.902 1.020 -1.516 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.067 4.624 -4.657 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.404 2.828 -0.805 1.00 0.00 H new ATOM 0 HZ PHE A 37 -13.000 4.627 -2.377 1.00 0.00 H new ATOM 632 N SER A 38 -8.816 -1.805 -5.750 1.00 0.00 N ATOM 633 CA SER A 38 -7.818 -2.799 -6.129 1.00 0.00 C ATOM 634 C SER A 38 -7.559 -2.747 -7.636 1.00 0.00 C ATOM 635 O SER A 38 -6.447 -3.005 -8.101 1.00 0.00 O ATOM 636 CB SER A 38 -8.256 -4.202 -5.695 1.00 0.00 C ATOM 637 OG SER A 38 -9.567 -4.497 -6.147 1.00 0.00 O ATOM 0 H SER A 38 -9.712 -2.190 -5.451 1.00 0.00 H new ATOM 0 HA SER A 38 -6.886 -2.566 -5.614 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.559 -4.941 -6.089 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.219 -4.277 -4.608 1.00 0.00 H new ATOM 0 HG SER A 38 -10.211 -4.300 -5.435 1.00 0.00 H new ATOM 643 N ASN A 39 -8.593 -2.384 -8.387 1.00 0.00 N ATOM 644 CA ASN A 39 -8.487 -2.180 -9.830 1.00 0.00 C ATOM 645 C ASN A 39 -7.523 -1.034 -10.131 1.00 0.00 C ATOM 646 O ASN A 39 -6.820 -1.041 -11.143 1.00 0.00 O ATOM 647 CB ASN A 39 -9.874 -1.877 -10.404 1.00 0.00 C ATOM 648 CG ASN A 39 -9.891 -1.685 -11.908 1.00 0.00 C ATOM 649 OD1 ASN A 39 -9.102 -2.287 -12.641 1.00 0.00 O ATOM 650 ND2 ASN A 39 -10.803 -0.847 -12.378 1.00 0.00 N ATOM 0 H ASN A 39 -9.529 -2.223 -8.014 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.098 -3.086 -10.296 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.549 -2.692 -10.145 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.264 -0.977 -9.929 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.872 -0.679 -13.382 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.436 -0.370 -11.736 1.00 0.00 H new ATOM 657 N VAL A 40 -7.489 -0.057 -9.233 1.00 0.00 N ATOM 658 CA VAL A 40 -6.578 1.075 -9.361 1.00 0.00 C ATOM 659 C VAL A 40 -5.174 0.694 -8.892 1.00 0.00 C ATOM 660 O VAL A 40 -4.188 0.976 -9.569 1.00 0.00 O ATOM 661 CB VAL A 40 -7.074 2.296 -8.550 1.00 0.00 C ATOM 662 CG1 VAL A 40 -6.118 3.470 -8.686 1.00 0.00 C ATOM 663 CG2 VAL A 40 -8.475 2.699 -8.985 1.00 0.00 C ATOM 0 H VAL A 40 -8.084 -0.026 -8.405 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.548 1.346 -10.416 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.107 2.006 -7.500 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.492 4.313 -8.106 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.134 3.183 -8.315 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.041 3.757 -9.735 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -8.804 3.559 -8.402 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.466 2.960 -10.043 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.160 1.867 -8.822 1.00 0.00 H new ATOM 673 N LEU A 41 -5.097 0.029 -7.744 1.00 0.00 N ATOM 674 CA LEU A 41 -3.814 -0.330 -7.132 1.00 0.00 C ATOM 675 C LEU A 41 -3.002 -1.285 -8.006 1.00 0.00 C ATOM 676 O LEU A 41 -1.778 -1.343 -7.903 1.00 0.00 O ATOM 677 CB LEU A 41 -4.036 -0.969 -5.762 1.00 0.00 C ATOM 678 CG LEU A 41 -4.709 -0.075 -4.720 1.00 0.00 C ATOM 679 CD1 LEU A 41 -4.889 -0.834 -3.420 1.00 0.00 C ATOM 680 CD2 LEU A 41 -3.895 1.189 -4.487 1.00 0.00 C ATOM 0 H LEU A 41 -5.912 -0.276 -7.212 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.247 0.595 -7.025 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.643 -1.865 -5.892 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.071 -1.291 -5.370 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.689 0.216 -5.097 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.369 -0.188 -2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.512 -1.711 -3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.915 -1.149 -3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.393 1.810 -3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.901 0.921 -4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.808 1.743 -5.422 1.00 0.00 H new ATOM 692 N SER A 42 -3.681 -2.037 -8.858 1.00 0.00 N ATOM 693 CA SER A 42 -3.006 -2.972 -9.744 1.00 0.00 C ATOM 694 C SER A 42 -2.443 -2.254 -10.971 1.00 0.00 C ATOM 695 O SER A 42 -1.556 -2.766 -11.653 1.00 0.00 O ATOM 696 CB SER A 42 -3.965 -4.092 -10.152 1.00 0.00 C ATOM 697 OG SER A 42 -5.229 -3.571 -10.524 1.00 0.00 O ATOM 0 H SER A 42 -4.696 -2.018 -8.955 1.00 0.00 H new ATOM 0 HA SER A 42 -2.166 -3.414 -9.209 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.540 -4.653 -10.984 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.086 -4.791 -9.325 1.00 0.00 H new ATOM 0 HG SER A 42 -5.780 -3.445 -9.723 1.00 0.00 H new ATOM 703 N ARG A 43 -2.959 -1.060 -11.240 1.00 0.00 N ATOM 704 CA ARG A 43 -2.467 -0.243 -12.342 1.00 0.00 C ATOM 705 C ARG A 43 -1.500 0.809 -11.802 1.00 0.00 C ATOM 706 O ARG A 43 -0.799 1.483 -12.559 1.00 0.00 O ATOM 707 CB ARG A 43 -3.643 0.428 -13.065 1.00 0.00 C ATOM 708 CG ARG A 43 -3.270 1.089 -14.386 1.00 0.00 C ATOM 709 CD ARG A 43 -2.795 0.063 -15.404 1.00 0.00 C ATOM 710 NE ARG A 43 -2.487 0.669 -16.700 1.00 0.00 N ATOM 711 CZ ARG A 43 -2.587 0.025 -17.863 1.00 0.00 C ATOM 712 NH1 ARG A 43 -3.043 -1.221 -17.897 1.00 0.00 N ATOM 713 NH2 ARG A 43 -2.257 0.638 -18.994 1.00 0.00 N ATOM 0 H ARG A 43 -3.719 -0.636 -10.709 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.940 -0.875 -13.057 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.414 -0.319 -13.251 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.079 1.179 -12.406 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.132 1.625 -14.783 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.486 1.827 -14.217 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.908 -0.442 -15.021 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.564 -0.699 -15.535 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.178 1.641 -16.714 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.318 -1.687 -17.032 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.119 -1.712 -18.788 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.927 1.603 -18.974 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.334 0.144 -19.883 1.00 0.00 H new ATOM 727 N LEU A 44 -1.476 0.937 -10.484 1.00 0.00 N ATOM 728 CA LEU A 44 -0.604 1.885 -9.814 1.00 0.00 C ATOM 729 C LEU A 44 0.745 1.237 -9.523 1.00 0.00 C ATOM 730 O LEU A 44 0.813 0.060 -9.177 1.00 0.00 O ATOM 731 CB LEU A 44 -1.247 2.358 -8.505 1.00 0.00 C ATOM 732 CG LEU A 44 -0.497 3.468 -7.766 1.00 0.00 C ATOM 733 CD1 LEU A 44 -0.629 4.790 -8.504 1.00 0.00 C ATOM 734 CD2 LEU A 44 -1.010 3.600 -6.343 1.00 0.00 C ATOM 0 H LEU A 44 -2.059 0.388 -9.852 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.453 2.745 -10.466 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.256 2.708 -8.722 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.343 1.502 -7.838 1.00 0.00 H new ATOM 0 HG LEU A 44 0.559 3.201 -7.730 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.088 5.565 -7.961 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.212 4.691 -9.506 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.682 5.064 -8.575 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.465 4.394 -5.832 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.073 3.842 -6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.861 2.659 -5.814 1.00 0.00 H new ATOM 746 N TYR A 45 1.812 2.004 -9.687 1.00 0.00 N ATOM 747 CA TYR A 45 3.152 1.520 -9.396 1.00 0.00 C ATOM 748 C TYR A 45 3.899 2.514 -8.517 1.00 0.00 C ATOM 749 O TYR A 45 4.360 3.555 -8.989 1.00 0.00 O ATOM 750 CB TYR A 45 3.937 1.274 -10.692 1.00 0.00 C ATOM 751 CG TYR A 45 3.555 0.003 -11.422 1.00 0.00 C ATOM 752 CD1 TYR A 45 2.390 -0.072 -12.177 1.00 0.00 C ATOM 753 CD2 TYR A 45 4.364 -1.123 -11.356 1.00 0.00 C ATOM 754 CE1 TYR A 45 2.046 -1.232 -12.847 1.00 0.00 C ATOM 755 CE2 TYR A 45 4.029 -2.286 -12.022 1.00 0.00 C ATOM 756 CZ TYR A 45 2.868 -2.337 -12.763 1.00 0.00 C ATOM 757 OH TYR A 45 2.534 -3.496 -13.427 1.00 0.00 O ATOM 0 H TYR A 45 1.775 2.967 -10.021 1.00 0.00 H new ATOM 0 HA TYR A 45 3.060 0.575 -8.861 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.787 2.122 -11.360 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.001 1.238 -10.457 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.743 0.790 -12.241 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.272 -1.089 -10.773 1.00 0.00 H new ATOM 0 HE1 TYR A 45 1.139 -1.273 -13.432 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.673 -3.151 -11.962 1.00 0.00 H new ATOM 0 HH TYR A 45 3.220 -4.176 -13.263 1.00 0.00 H new ATOM 767 N VAL A 46 3.994 2.203 -7.234 1.00 0.00 N ATOM 768 CA VAL A 46 4.724 3.042 -6.296 1.00 0.00 C ATOM 769 C VAL A 46 6.003 2.341 -5.850 1.00 0.00 C ATOM 770 O VAL A 46 6.018 1.130 -5.660 1.00 0.00 O ATOM 771 CB VAL A 46 3.868 3.413 -5.063 1.00 0.00 C ATOM 772 CG1 VAL A 46 2.725 4.333 -5.465 1.00 0.00 C ATOM 773 CG2 VAL A 46 3.327 2.166 -4.374 1.00 0.00 C ATOM 0 H VAL A 46 3.573 1.373 -6.817 1.00 0.00 H new ATOM 0 HA VAL A 46 4.976 3.968 -6.813 1.00 0.00 H new ATOM 0 HB VAL A 46 4.509 3.939 -4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.133 4.584 -4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.129 5.246 -5.903 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.093 3.829 -6.196 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.729 2.458 -3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.706 1.605 -5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.158 1.542 -4.045 1.00 0.00 H new ATOM 783 N GLY A 47 7.075 3.098 -5.699 1.00 0.00 N ATOM 784 CA GLY A 47 8.354 2.508 -5.353 1.00 0.00 C ATOM 785 C GLY A 47 8.789 2.849 -3.946 1.00 0.00 C ATOM 786 O GLY A 47 9.806 2.347 -3.466 1.00 0.00 O ATOM 0 H GLY A 47 7.086 4.112 -5.809 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.291 1.425 -5.457 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.111 2.852 -6.057 1.00 0.00 H new ATOM 790 N VAL A 48 7.991 3.666 -3.276 1.00 0.00 N ATOM 791 CA VAL A 48 8.326 4.171 -1.940 1.00 0.00 C ATOM 792 C VAL A 48 8.533 3.042 -0.924 1.00 0.00 C ATOM 793 O VAL A 48 7.695 2.147 -0.788 1.00 0.00 O ATOM 794 CB VAL A 48 7.245 5.145 -1.410 1.00 0.00 C ATOM 795 CG1 VAL A 48 7.288 6.456 -2.180 1.00 0.00 C ATOM 796 CG2 VAL A 48 5.857 4.522 -1.496 1.00 0.00 C ATOM 0 H VAL A 48 7.096 4.000 -3.634 1.00 0.00 H new ATOM 0 HA VAL A 48 9.268 4.709 -2.052 1.00 0.00 H new ATOM 0 HB VAL A 48 7.459 5.349 -0.361 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.522 7.129 -1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.269 6.916 -2.061 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.104 6.263 -3.237 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.117 5.228 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.630 4.281 -2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.829 3.611 -0.898 1.00 0.00 H new ATOM 806 N PRO A 49 9.692 3.036 -0.247 1.00 0.00 N ATOM 807 CA PRO A 49 9.985 2.120 0.840 1.00 0.00 C ATOM 808 C PRO A 49 9.747 2.741 2.216 1.00 0.00 C ATOM 809 O PRO A 49 10.688 2.984 2.975 1.00 0.00 O ATOM 810 CB PRO A 49 11.469 1.829 0.638 1.00 0.00 C ATOM 811 CG PRO A 49 12.013 2.977 -0.164 1.00 0.00 C ATOM 812 CD PRO A 49 10.856 3.880 -0.519 1.00 0.00 C ATOM 0 HA PRO A 49 9.345 1.238 0.820 1.00 0.00 H new ATOM 0 HB2 PRO A 49 11.983 1.744 1.595 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.613 0.884 0.114 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.762 3.523 0.410 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.505 2.614 -1.066 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.849 4.786 0.087 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.893 4.194 -1.562 1.00 0.00 H new ATOM 820 N THR A 50 8.489 2.984 2.524 1.00 0.00 N ATOM 821 CA THR A 50 8.106 3.632 3.764 1.00 0.00 C ATOM 822 C THR A 50 7.883 2.631 4.901 1.00 0.00 C ATOM 823 O THR A 50 8.054 1.421 4.728 1.00 0.00 O ATOM 824 CB THR A 50 6.818 4.431 3.540 1.00 0.00 C ATOM 825 OG1 THR A 50 6.273 4.107 2.249 1.00 0.00 O ATOM 826 CG2 THR A 50 7.079 5.926 3.633 1.00 0.00 C ATOM 0 H THR A 50 7.703 2.738 1.922 1.00 0.00 H new ATOM 0 HA THR A 50 8.925 4.289 4.057 1.00 0.00 H new ATOM 0 HB THR A 50 6.103 4.164 4.319 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.544 4.726 2.037 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.148 6.469 3.470 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.471 6.166 4.621 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.806 6.216 2.874 1.00 0.00 H new ATOM 834 N LYS A 51 7.514 3.157 6.066 1.00 0.00 N ATOM 835 CA LYS A 51 7.165 2.334 7.218 1.00 0.00 C ATOM 836 C LYS A 51 5.645 2.232 7.337 1.00 0.00 C ATOM 837 O LYS A 51 4.920 2.715 6.468 1.00 0.00 O ATOM 838 CB LYS A 51 7.754 2.927 8.505 1.00 0.00 C ATOM 839 CG LYS A 51 9.035 2.249 8.981 1.00 0.00 C ATOM 840 CD LYS A 51 10.200 2.452 8.020 1.00 0.00 C ATOM 841 CE LYS A 51 11.448 1.731 8.517 1.00 0.00 C ATOM 842 NZ LYS A 51 12.642 2.017 7.675 1.00 0.00 N ATOM 0 H LYS A 51 7.449 4.161 6.237 1.00 0.00 H new ATOM 0 HA LYS A 51 7.584 1.338 7.075 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.956 3.986 8.344 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.007 2.862 9.296 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.306 2.641 9.962 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.852 1.181 9.104 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.930 2.080 7.031 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.408 3.517 7.914 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.652 2.030 9.545 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.264 0.657 8.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.464 1.505 8.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.460 1.708 6.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.837 3.039 7.684 1.00 0.00 H new ATOM 856 N SER A 52 5.165 1.631 8.414 1.00 0.00 N ATOM 857 CA SER A 52 3.731 1.428 8.597 1.00 0.00 C ATOM 858 C SER A 52 3.005 2.761 8.764 1.00 0.00 C ATOM 859 O SER A 52 3.551 3.715 9.324 1.00 0.00 O ATOM 860 CB SER A 52 3.473 0.536 9.812 1.00 0.00 C ATOM 861 OG SER A 52 2.100 0.192 9.912 1.00 0.00 O ATOM 0 H SER A 52 5.743 1.275 9.175 1.00 0.00 H new ATOM 0 HA SER A 52 3.343 0.937 7.705 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.073 -0.371 9.735 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.789 1.052 10.719 1.00 0.00 H new ATOM 0 HG SER A 52 1.960 -0.367 10.705 1.00 0.00 H new ATOM 867 N GLY A 53 1.778 2.825 8.259 1.00 0.00 N ATOM 868 CA GLY A 53 0.969 4.013 8.413 1.00 0.00 C ATOM 869 C GLY A 53 1.326 5.085 7.410 1.00 0.00 C ATOM 870 O GLY A 53 1.217 6.277 7.701 1.00 0.00 O ATOM 0 H GLY A 53 1.330 2.068 7.743 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.083 3.750 8.301 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.094 4.407 9.422 1.00 0.00 H new ATOM 874 N ASN A 54 1.756 4.665 6.227 1.00 0.00 N ATOM 875 CA ASN A 54 2.133 5.614 5.184 1.00 0.00 C ATOM 876 C ASN A 54 1.017 5.740 4.157 1.00 0.00 C ATOM 877 O ASN A 54 0.451 4.741 3.719 1.00 0.00 O ATOM 878 CB ASN A 54 3.446 5.204 4.498 1.00 0.00 C ATOM 879 CG ASN A 54 3.321 3.978 3.607 1.00 0.00 C ATOM 880 OD1 ASN A 54 3.004 4.087 2.424 1.00 0.00 O ATOM 881 ND2 ASN A 54 3.609 2.810 4.156 1.00 0.00 N ATOM 0 H ASN A 54 1.852 3.684 5.966 1.00 0.00 H new ATOM 0 HA ASN A 54 2.293 6.583 5.656 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.808 6.040 3.900 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.198 5.010 5.262 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.572 1.959 3.594 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.868 2.760 5.141 1.00 0.00 H new ATOM 888 N VAL A 55 0.687 6.968 3.790 1.00 0.00 N ATOM 889 CA VAL A 55 -0.383 7.209 2.834 1.00 0.00 C ATOM 890 C VAL A 55 0.105 6.974 1.408 1.00 0.00 C ATOM 891 O VAL A 55 0.984 7.683 0.914 1.00 0.00 O ATOM 892 CB VAL A 55 -0.944 8.644 2.948 1.00 0.00 C ATOM 893 CG1 VAL A 55 -2.097 8.847 1.979 1.00 0.00 C ATOM 894 CG2 VAL A 55 -1.388 8.945 4.372 1.00 0.00 C ATOM 0 H VAL A 55 1.143 7.811 4.138 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.182 6.506 3.069 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.145 9.338 2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.478 9.864 2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.748 8.685 0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.893 8.138 2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.779 9.961 4.424 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.167 8.241 4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.537 8.848 5.047 1.00 0.00 H new ATOM 904 N VAL A 56 -0.463 5.970 0.760 1.00 0.00 N ATOM 905 CA VAL A 56 -0.128 5.660 -0.621 1.00 0.00 C ATOM 906 C VAL A 56 -1.000 6.478 -1.565 1.00 0.00 C ATOM 907 O VAL A 56 -0.500 7.156 -2.462 1.00 0.00 O ATOM 908 CB VAL A 56 -0.311 4.156 -0.928 1.00 0.00 C ATOM 909 CG1 VAL A 56 0.125 3.836 -2.349 1.00 0.00 C ATOM 910 CG2 VAL A 56 0.464 3.308 0.068 1.00 0.00 C ATOM 0 H VAL A 56 -1.163 5.352 1.171 1.00 0.00 H new ATOM 0 HA VAL A 56 0.921 5.914 -0.770 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.371 3.919 -0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.013 2.772 -2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.476 4.413 -3.052 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.177 4.094 -2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.322 2.253 -0.165 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.524 3.554 0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.102 3.509 1.076 1.00 0.00 H new ATOM 920 N CYS A 57 -2.306 6.421 -1.345 1.00 0.00 N ATOM 921 CA CYS A 57 -3.252 7.166 -2.161 1.00 0.00 C ATOM 922 C CYS A 57 -4.166 7.996 -1.268 1.00 0.00 C ATOM 923 O CYS A 57 -5.000 7.448 -0.543 1.00 0.00 O ATOM 924 CB CYS A 57 -4.083 6.208 -3.020 1.00 0.00 C ATOM 925 SG CYS A 57 -3.112 4.958 -3.890 1.00 0.00 S ATOM 0 H CYS A 57 -2.735 5.864 -0.606 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.698 7.834 -2.821 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.812 5.707 -2.383 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.645 6.789 -3.751 1.00 0.00 H new ATOM 0 HG CYS A 57 -3.906 4.198 -4.585 1.00 0.00 H new ATOM 931 N LYS A 58 -4.001 9.310 -1.305 1.00 0.00 N ATOM 932 CA LYS A 58 -4.803 10.196 -0.472 1.00 0.00 C ATOM 933 C LYS A 58 -5.946 10.783 -1.284 1.00 0.00 C ATOM 934 O LYS A 58 -5.718 11.396 -2.330 1.00 0.00 O ATOM 935 CB LYS A 58 -3.940 11.318 0.112 1.00 0.00 C ATOM 936 CG LYS A 58 -4.695 12.232 1.067 1.00 0.00 C ATOM 937 CD LYS A 58 -3.788 13.311 1.637 1.00 0.00 C ATOM 938 CE LYS A 58 -4.553 14.269 2.539 1.00 0.00 C ATOM 939 NZ LYS A 58 -5.124 13.588 3.733 1.00 0.00 N ATOM 0 H LYS A 58 -3.322 9.785 -1.900 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.215 9.615 0.353 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.093 10.878 0.637 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.534 11.915 -0.704 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.531 12.696 0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.117 11.642 1.881 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.980 12.846 2.202 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.328 13.868 0.821 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.887 15.069 2.864 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.358 14.735 1.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.502 14.299 4.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.890 12.950 3.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.380 13.038 4.208 1.00 0.00 H new ATOM 953 N ASN A 59 -7.168 10.579 -0.801 1.00 0.00 N ATOM 954 CA ASN A 59 -8.369 11.059 -1.474 1.00 0.00 C ATOM 955 C ASN A 59 -8.489 10.383 -2.832 1.00 0.00 C ATOM 956 O ASN A 59 -8.489 11.037 -3.876 1.00 0.00 O ATOM 957 CB ASN A 59 -8.336 12.587 -1.626 1.00 0.00 C ATOM 958 CG ASN A 59 -9.691 13.178 -1.954 1.00 0.00 C ATOM 959 OD1 ASN A 59 -10.065 13.308 -3.118 1.00 0.00 O ATOM 960 ND2 ASN A 59 -10.434 13.551 -0.925 1.00 0.00 N ATOM 0 H ASN A 59 -7.353 10.077 0.067 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.241 10.807 -0.871 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.966 13.031 -0.702 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.630 12.853 -2.412 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.353 13.963 -1.083 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.087 13.426 0.026 1.00 0.00 H new ATOM 967 N ILE A 60 -8.582 9.059 -2.812 1.00 0.00 N ATOM 968 CA ILE A 60 -8.583 8.292 -4.049 1.00 0.00 C ATOM 969 C ILE A 60 -9.942 8.395 -4.734 1.00 0.00 C ATOM 970 O ILE A 60 -10.978 8.117 -4.127 1.00 0.00 O ATOM 971 CB ILE A 60 -8.192 6.808 -3.815 1.00 0.00 C ATOM 972 CG1 ILE A 60 -8.178 6.038 -5.141 1.00 0.00 C ATOM 973 CG2 ILE A 60 -9.126 6.143 -2.814 1.00 0.00 C ATOM 974 CD1 ILE A 60 -7.677 4.613 -5.016 1.00 0.00 C ATOM 0 H ILE A 60 -8.657 8.500 -1.962 1.00 0.00 H new ATOM 0 HA ILE A 60 -7.825 8.721 -4.704 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.186 6.788 -3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -9.187 6.024 -5.553 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.551 6.573 -5.854 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.827 5.105 -2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.073 6.670 -1.861 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -10.148 6.177 -3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.696 4.133 -5.995 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.656 4.618 -4.635 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.318 4.061 -4.329 1.00 0.00 H new ATOM 986 N MET A 61 -9.922 8.864 -5.983 1.00 0.00 N ATOM 987 CA MET A 61 -11.134 9.017 -6.792 1.00 0.00 C ATOM 988 C MET A 61 -12.058 10.080 -6.196 1.00 0.00 C ATOM 989 O MET A 61 -13.258 10.094 -6.468 1.00 0.00 O ATOM 990 CB MET A 61 -11.874 7.677 -6.926 1.00 0.00 C ATOM 991 CG MET A 61 -11.046 6.587 -7.593 1.00 0.00 C ATOM 992 SD MET A 61 -11.905 5.002 -7.679 1.00 0.00 S ATOM 993 CE MET A 61 -13.311 5.438 -8.697 1.00 0.00 C ATOM 0 H MET A 61 -9.067 9.148 -6.462 1.00 0.00 H new ATOM 0 HA MET A 61 -10.833 9.345 -7.787 1.00 0.00 H new ATOM 0 HB2 MET A 61 -12.176 7.337 -5.935 1.00 0.00 H new ATOM 0 HB3 MET A 61 -12.787 7.832 -7.501 1.00 0.00 H new ATOM 0 HG2 MET A 61 -10.781 6.905 -8.601 1.00 0.00 H new ATOM 0 HG3 MET A 61 -10.113 6.459 -7.043 1.00 0.00 H new ATOM 0 HE1 MET A 61 -13.759 4.532 -9.106 1.00 0.00 H new ATOM 0 HE2 MET A 61 -14.048 5.966 -8.092 1.00 0.00 H new ATOM 0 HE3 MET A 61 -12.983 6.081 -9.514 1.00 0.00 H new ATOM 1003 N ASN A 62 -11.467 10.984 -5.410 1.00 0.00 N ATOM 1004 CA ASN A 62 -12.204 12.048 -4.721 1.00 0.00 C ATOM 1005 C ASN A 62 -13.242 11.470 -3.774 1.00 0.00 C ATOM 1006 O ASN A 62 -14.438 11.451 -4.064 1.00 0.00 O ATOM 1007 CB ASN A 62 -12.852 13.022 -5.709 1.00 0.00 C ATOM 1008 CG ASN A 62 -11.836 13.907 -6.404 1.00 0.00 C ATOM 1009 OD1 ASN A 62 -12.023 14.300 -7.556 1.00 0.00 O ATOM 1010 ND2 ASN A 62 -10.755 14.242 -5.712 1.00 0.00 N ATOM 0 H ASN A 62 -10.463 10.999 -5.233 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.480 12.611 -4.132 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.410 12.458 -6.457 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.571 13.647 -5.179 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.046 14.843 -6.132 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.632 13.898 -4.760 1.00 0.00 H new ATOM 1017 N THR A 63 -12.765 10.986 -2.643 1.00 0.00 N ATOM 1018 CA THR A 63 -13.619 10.352 -1.657 1.00 0.00 C ATOM 1019 C THR A 63 -13.414 10.967 -0.280 1.00 0.00 C ATOM 1020 O THR A 63 -14.372 11.253 0.438 1.00 0.00 O ATOM 1021 CB THR A 63 -13.320 8.847 -1.581 1.00 0.00 C ATOM 1022 OG1 THR A 63 -11.899 8.643 -1.569 1.00 0.00 O ATOM 1023 CG2 THR A 63 -13.932 8.109 -2.759 1.00 0.00 C ATOM 0 H THR A 63 -11.779 11.021 -2.383 1.00 0.00 H new ATOM 0 HA THR A 63 -14.653 10.508 -1.966 1.00 0.00 H new ATOM 0 HB THR A 63 -13.760 8.453 -0.665 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.585 8.472 -2.482 1.00 0.00 H new ATOM 0 HG21 THR A 63 -13.705 7.046 -2.680 1.00 0.00 H new ATOM 0 HG22 THR A 63 -15.013 8.251 -2.755 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.518 8.500 -3.688 1.00 0.00 H new ATOM 1031 N GLY A 64 -12.157 11.179 0.073 1.00 0.00 N ATOM 1032 CA GLY A 64 -11.828 11.652 1.398 1.00 0.00 C ATOM 1033 C GLY A 64 -11.181 10.561 2.223 1.00 0.00 C ATOM 1034 O GLY A 64 -11.112 10.648 3.448 1.00 0.00 O ATOM 0 H GLY A 64 -11.355 11.031 -0.539 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.154 12.505 1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.732 12.002 1.897 1.00 0.00 H new ATOM 1038 N VAL A 65 -10.724 9.519 1.543 1.00 0.00 N ATOM 1039 CA VAL A 65 -10.087 8.395 2.204 1.00 0.00 C ATOM 1040 C VAL A 65 -8.594 8.377 1.885 1.00 0.00 C ATOM 1041 O VAL A 65 -8.189 8.626 0.748 1.00 0.00 O ATOM 1042 CB VAL A 65 -10.744 7.054 1.778 1.00 0.00 C ATOM 1043 CG1 VAL A 65 -10.286 6.605 0.401 1.00 0.00 C ATOM 1044 CG2 VAL A 65 -10.497 5.970 2.813 1.00 0.00 C ATOM 0 H VAL A 65 -10.784 9.431 0.529 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.220 8.511 3.280 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.818 7.230 1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.771 5.663 0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.553 7.362 -0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.205 6.467 0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.969 5.043 2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.424 5.812 2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.921 6.277 3.769 1.00 0.00 H new ATOM 1054 N ASP A 66 -7.781 8.136 2.895 1.00 0.00 N ATOM 1055 CA ASP A 66 -6.349 7.998 2.696 1.00 0.00 C ATOM 1056 C ASP A 66 -5.939 6.543 2.852 1.00 0.00 C ATOM 1057 O ASP A 66 -5.960 5.983 3.948 1.00 0.00 O ATOM 1058 CB ASP A 66 -5.547 8.916 3.639 1.00 0.00 C ATOM 1059 CG ASP A 66 -6.110 9.003 5.048 1.00 0.00 C ATOM 1060 OD1 ASP A 66 -7.187 9.615 5.221 1.00 0.00 O ATOM 1061 OD2 ASP A 66 -5.463 8.499 5.995 1.00 0.00 O ATOM 0 H ASP A 66 -8.086 8.031 3.863 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.115 8.316 1.680 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.519 8.556 3.692 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.512 9.918 3.211 1.00 0.00 H new ATOM 1066 N ILE A 67 -5.609 5.927 1.724 1.00 0.00 N ATOM 1067 CA ILE A 67 -5.207 4.532 1.696 1.00 0.00 C ATOM 1068 C ILE A 67 -3.779 4.406 2.194 1.00 0.00 C ATOM 1069 O ILE A 67 -2.844 4.896 1.556 1.00 0.00 O ATOM 1070 CB ILE A 67 -5.311 3.937 0.272 1.00 0.00 C ATOM 1071 CG1 ILE A 67 -6.739 4.068 -0.267 1.00 0.00 C ATOM 1072 CG2 ILE A 67 -4.871 2.478 0.261 1.00 0.00 C ATOM 1073 CD1 ILE A 67 -7.779 3.330 0.553 1.00 0.00 C ATOM 0 H ILE A 67 -5.613 6.379 0.810 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.882 3.974 2.345 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.643 4.502 -0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -7.006 5.124 -0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.766 3.694 -1.290 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.953 2.081 -0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.836 2.408 0.596 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.509 1.901 0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.763 3.472 0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.540 2.267 0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.783 3.720 1.571 1.00 0.00 H new ATOM 1085 N ILE A 68 -3.616 3.765 3.333 1.00 0.00 N ATOM 1086 CA ILE A 68 -2.318 3.680 3.973 1.00 0.00 C ATOM 1087 C ILE A 68 -1.762 2.267 3.934 1.00 0.00 C ATOM 1088 O ILE A 68 -2.492 1.292 4.084 1.00 0.00 O ATOM 1089 CB ILE A 68 -2.373 4.156 5.437 1.00 0.00 C ATOM 1090 CG1 ILE A 68 -3.506 3.455 6.194 1.00 0.00 C ATOM 1091 CG2 ILE A 68 -2.535 5.664 5.497 1.00 0.00 C ATOM 1092 CD1 ILE A 68 -3.592 3.847 7.653 1.00 0.00 C ATOM 0 H ILE A 68 -4.368 3.294 3.836 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.657 4.338 3.408 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.432 3.893 5.921 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.454 3.686 5.708 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.366 2.376 6.124 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.572 5.985 6.538 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.690 6.141 5.000 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.459 5.951 4.996 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.416 3.312 8.125 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.659 3.591 8.154 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.763 4.921 7.732 1.00 0.00 H new ATOM 1104 N CYS A 69 -0.466 2.166 3.724 1.00 0.00 N ATOM 1105 CA CYS A 69 0.214 0.891 3.788 1.00 0.00 C ATOM 1106 C CYS A 69 0.683 0.649 5.215 1.00 0.00 C ATOM 1107 O CYS A 69 1.108 1.581 5.901 1.00 0.00 O ATOM 1108 CB CYS A 69 1.397 0.865 2.824 1.00 0.00 C ATOM 1109 SG CYS A 69 2.319 -0.684 2.843 1.00 0.00 S ATOM 0 H CYS A 69 0.140 2.957 3.506 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.475 0.099 3.494 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.033 1.048 1.813 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.074 1.683 3.072 1.00 0.00 H new ATOM 0 HG CYS A 69 1.496 -1.681 2.702 1.00 0.00 H new ATOM 1115 N THR A 70 0.597 -0.588 5.666 1.00 0.00 N ATOM 1116 CA THR A 70 0.924 -0.902 7.045 1.00 0.00 C ATOM 1117 C THR A 70 2.122 -1.844 7.121 1.00 0.00 C ATOM 1118 O THR A 70 2.600 -2.180 8.204 1.00 0.00 O ATOM 1119 CB THR A 70 -0.299 -1.520 7.767 1.00 0.00 C ATOM 1120 OG1 THR A 70 -0.035 -1.690 9.165 1.00 0.00 O ATOM 1121 CG2 THR A 70 -0.683 -2.860 7.148 1.00 0.00 C ATOM 0 H THR A 70 0.306 -1.387 5.103 1.00 0.00 H new ATOM 0 HA THR A 70 1.191 0.027 7.549 1.00 0.00 H new ATOM 0 HB THR A 70 -1.133 -0.829 7.647 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.664 -1.063 9.444 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.544 -3.271 7.675 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.935 -2.717 6.097 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.155 -3.552 7.229 1.00 0.00 H new ATOM 1129 N LYS A 71 2.624 -2.248 5.968 1.00 0.00 N ATOM 1130 CA LYS A 71 3.806 -3.083 5.925 1.00 0.00 C ATOM 1131 C LYS A 71 5.021 -2.212 5.659 1.00 0.00 C ATOM 1132 O LYS A 71 4.926 -1.195 4.977 1.00 0.00 O ATOM 1133 CB LYS A 71 3.669 -4.178 4.862 1.00 0.00 C ATOM 1134 CG LYS A 71 4.787 -5.208 4.912 1.00 0.00 C ATOM 1135 CD LYS A 71 4.485 -6.414 4.041 1.00 0.00 C ATOM 1136 CE LYS A 71 5.540 -7.495 4.204 1.00 0.00 C ATOM 1137 NZ LYS A 71 5.188 -8.734 3.463 1.00 0.00 N ATOM 0 H LYS A 71 2.233 -2.012 5.056 1.00 0.00 H new ATOM 0 HA LYS A 71 3.927 -3.582 6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.712 -4.684 4.993 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.653 -3.716 3.875 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.719 -4.748 4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.936 -5.532 5.942 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.506 -6.817 4.302 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.435 -6.107 2.996 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.500 -7.121 3.849 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.660 -7.727 5.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.423 -9.564 4.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.169 -8.735 3.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.725 -8.771 2.573 1.00 0.00 H new ATOM 1151 N ASN A 72 6.151 -2.595 6.222 1.00 0.00 N ATOM 1152 CA ASN A 72 7.358 -1.793 6.112 1.00 0.00 C ATOM 1153 C ASN A 72 8.172 -2.260 4.915 1.00 0.00 C ATOM 1154 O ASN A 72 8.517 -3.438 4.814 1.00 0.00 O ATOM 1155 CB ASN A 72 8.192 -1.881 7.401 1.00 0.00 C ATOM 1156 CG ASN A 72 7.487 -1.301 8.626 1.00 0.00 C ATOM 1157 OD1 ASN A 72 6.161 -1.390 8.664 1.00 0.00 O flip ATOM 1158 ND2 ASN A 72 8.133 -0.782 9.535 1.00 0.00 N flip ATOM 0 H ASN A 72 6.260 -3.455 6.760 1.00 0.00 H new ATOM 0 HA ASN A 72 7.077 -0.750 5.967 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.438 -2.925 7.594 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.134 -1.354 7.251 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.150 -0.731 9.473 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.652 -0.403 10.351 1.00 0.00 H new ATOM 1165 N LEU A 73 8.460 -1.342 4.003 1.00 0.00 N ATOM 1166 CA LEU A 73 9.152 -1.694 2.768 1.00 0.00 C ATOM 1167 C LEU A 73 10.662 -1.794 2.981 1.00 0.00 C ATOM 1168 O LEU A 73 11.285 -0.862 3.497 1.00 0.00 O ATOM 1169 CB LEU A 73 8.849 -0.683 1.659 1.00 0.00 C ATOM 1170 CG LEU A 73 7.450 -0.765 1.032 1.00 0.00 C ATOM 1171 CD1 LEU A 73 7.157 -2.186 0.584 1.00 0.00 C ATOM 1172 CD2 LEU A 73 6.380 -0.268 1.995 1.00 0.00 C ATOM 0 H LEU A 73 8.227 -0.353 4.093 1.00 0.00 H new ATOM 0 HA LEU A 73 8.782 -2.673 2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.985 0.320 2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.587 -0.811 0.867 1.00 0.00 H new ATOM 0 HG LEU A 73 7.432 -0.114 0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.162 -2.230 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.897 -2.494 -0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.202 -2.855 1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.402 -0.339 1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.391 -0.879 2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.581 0.771 2.258 1.00 0.00 H new ATOM 1184 N PRO A 74 11.271 -2.928 2.584 1.00 0.00 N ATOM 1185 CA PRO A 74 12.706 -3.161 2.763 1.00 0.00 C ATOM 1186 C PRO A 74 13.582 -2.267 1.883 1.00 0.00 C ATOM 1187 O PRO A 74 13.746 -2.513 0.685 1.00 0.00 O ATOM 1188 CB PRO A 74 12.905 -4.634 2.377 1.00 0.00 C ATOM 1189 CG PRO A 74 11.534 -5.218 2.291 1.00 0.00 C ATOM 1190 CD PRO A 74 10.614 -4.083 1.955 1.00 0.00 C ATOM 0 HA PRO A 74 13.005 -2.928 3.785 1.00 0.00 H new ATOM 0 HB2 PRO A 74 13.428 -4.722 1.425 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.507 -5.156 3.121 1.00 0.00 H new ATOM 0 HG2 PRO A 74 11.489 -5.994 1.527 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.249 -5.683 3.235 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.511 -3.952 0.878 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.612 -4.244 2.353 1.00 0.00 H new