USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 858 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 54 GLN :FLIP amide:sc= -0.709 F(o=-4.4!,f=-1.8) USER MOD Set 1.2: A 55 ASN :FLIP amide:sc= -1.04 X(o=-2.1,f=-1.8) USER MOD Set 2.1: A 43 CYS SG : rot -73:sc= -7.72! USER MOD Set 2.2: A 97 GLN :FLIP amide:sc= 0.947 F(o=-7.8!,f=-6.8) USER MOD Set 3.1: A 22 LYS NZ :NH3+ 177:sc= 0.686 (180deg=-0.112) USER MOD Set 3.2: A 30 CYS SG : rot -20:sc= -0.0331 USER MOD Set 4.1: A 11 GLN : amide:sc= 0.00721 X(o=0.018,f=0.21) USER MOD Set 4.2: A 20 TYR OH : rot 180:sc= 0.0105 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.0548 F(o=-4.5!,f=-0.055) USER MOD Single : A 15 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.0078) USER MOD Single : A 21 MET CE :methyl -155:sc= -11.5! (180deg=-13!) USER MOD Single : A 24 SER OG : rot 110:sc= -1.7! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 56:sc= 0.00592 USER MOD Single : A 33 SER OG : rot -96:sc= -2.31! USER MOD Single : A 35 GLN :FLIP amide:sc= -1.68 F(o=-4.4!,f=-1.7) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.976 F(o=-3.9!,f=-0.98) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 138:sc= -2.98! (180deg=-4.53!) USER MOD Single : A 65 TYR OH : rot -67:sc= -1.37! USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.02 USER MOD Single : A 73 GLN :FLIP amide:sc= -1.41! C(o=-3.8!,f=-1.4!) USER MOD Single : A 84 CYS SG : rot 102:sc= 1.36 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 98 GLN :FLIP amide:sc= -0.394 F(o=-2.1,f=-0.39) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 84:sc= 0.534 USER MOD Single : A 106 LYS NZ :NH3+ 173:sc= 0.858 (180deg=0.826) USER MOD Single : A 107 TYR OH : rot -41:sc= 0.249 USER MOD Single : A 108 LYS NZ :NH3+ -145:sc= 1.18 (180deg=-1.03) USER MOD Single : A 109 SER OG : rot 180:sc= -0.204 USER MOD ----------------------------------------------------------------- ATOM 59 N ILE A 5 13.338 8.929 2.655 1.00 0.00 N ATOM 60 CA ILE A 5 11.988 8.998 3.213 1.00 0.00 C ATOM 61 C ILE A 5 11.307 10.333 2.924 1.00 0.00 C ATOM 62 O ILE A 5 10.103 10.368 2.669 1.00 0.00 O ATOM 63 CB ILE A 5 11.990 8.713 4.731 1.00 0.00 C ATOM 64 CG1 ILE A 5 12.229 7.229 4.984 1.00 0.00 C ATOM 65 CG2 ILE A 5 10.673 9.127 5.361 1.00 0.00 C ATOM 66 CD1 ILE A 5 12.525 6.897 6.429 1.00 0.00 C ATOM 0 HA ILE A 5 11.409 8.220 2.715 1.00 0.00 H new ATOM 0 HB ILE A 5 12.793 9.295 5.184 1.00 0.00 H new ATOM 0 HG12 ILE A 5 11.350 6.669 4.665 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.062 6.894 4.366 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.699 8.916 6.430 1.00 0.00 H new ATOM 0 HG22 ILE A 5 10.515 10.194 5.205 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.858 8.568 4.901 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.684 5.823 6.531 1.00 0.00 H new ATOM 0 HD12 ILE A 5 13.422 7.428 6.748 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.683 7.200 7.052 1.00 0.00 H new ATOM 78 N GLU A 6 12.065 11.421 2.969 1.00 0.00 N ATOM 79 CA GLU A 6 11.505 12.749 2.718 1.00 0.00 C ATOM 80 C GLU A 6 10.788 12.789 1.370 1.00 0.00 C ATOM 81 O GLU A 6 9.640 13.229 1.282 1.00 0.00 O ATOM 82 CB GLU A 6 12.603 13.812 2.763 1.00 0.00 C ATOM 83 CG GLU A 6 13.309 13.900 4.106 1.00 0.00 C ATOM 84 CD GLU A 6 14.360 14.988 4.137 1.00 0.00 C ATOM 85 OE1 GLU A 6 15.311 14.921 3.334 1.00 0.00 O ATOM 86 OE2 GLU A 6 14.237 15.921 4.959 1.00 0.00 O ATOM 0 H GLU A 6 13.064 11.414 3.175 1.00 0.00 H new ATOM 0 HA GLU A 6 10.779 12.963 3.502 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.339 13.596 1.989 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.167 14.783 2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.573 14.087 4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.776 12.941 4.331 1.00 0.00 H new ATOM 93 N LYS A 7 11.416 12.211 0.352 1.00 0.00 N ATOM 94 CA LYS A 7 10.799 12.059 -0.940 1.00 0.00 C ATOM 95 C LYS A 7 9.646 11.056 -0.874 1.00 0.00 C ATOM 96 O LYS A 7 8.585 11.274 -1.463 1.00 0.00 O ATOM 97 CB LYS A 7 11.853 11.599 -1.946 1.00 0.00 C ATOM 98 CG LYS A 7 11.250 11.129 -3.243 1.00 0.00 C ATOM 99 CD LYS A 7 12.286 10.578 -4.210 1.00 0.00 C ATOM 100 CE LYS A 7 13.290 11.637 -4.642 1.00 0.00 C ATOM 101 NZ LYS A 7 14.279 11.087 -5.607 1.00 0.00 N ATOM 0 H LYS A 7 12.364 11.839 0.409 1.00 0.00 H new ATOM 0 HA LYS A 7 10.388 13.017 -1.258 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.541 12.420 -2.146 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.439 10.791 -1.508 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.508 10.358 -3.035 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.724 11.959 -3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.815 9.749 -3.740 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.782 10.177 -5.090 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.763 12.476 -5.097 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.811 12.025 -3.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.949 11.834 -5.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.798 10.303 -5.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.783 10.739 -6.452 1.00 0.00 H new ATOM 115 N ILE A 8 9.889 9.930 -0.208 1.00 0.00 N ATOM 116 CA ILE A 8 8.918 8.851 -0.126 1.00 0.00 C ATOM 117 C ILE A 8 7.595 9.276 0.516 1.00 0.00 C ATOM 118 O ILE A 8 6.531 8.917 0.019 1.00 0.00 O ATOM 119 CB ILE A 8 9.504 7.642 0.627 1.00 0.00 C ATOM 120 CG1 ILE A 8 10.624 7.010 -0.206 1.00 0.00 C ATOM 121 CG2 ILE A 8 8.416 6.633 0.943 1.00 0.00 C ATOM 122 CD1 ILE A 8 11.305 5.842 0.467 1.00 0.00 C ATOM 0 H ILE A 8 10.761 9.744 0.287 1.00 0.00 H new ATOM 0 HA ILE A 8 8.696 8.567 -1.155 1.00 0.00 H new ATOM 0 HB ILE A 8 9.925 7.978 1.574 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.211 6.677 -1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.370 7.772 -0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 8 8.849 5.786 1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.655 7.102 1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.962 6.285 0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 8 12.085 5.450 -0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.750 6.172 1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.573 5.060 0.667 1.00 0.00 H new ATOM 134 N GLN A 9 7.641 10.008 1.623 1.00 0.00 N ATOM 135 CA GLN A 9 6.406 10.410 2.289 1.00 0.00 C ATOM 136 C GLN A 9 5.576 11.334 1.412 1.00 0.00 C ATOM 137 O GLN A 9 4.362 11.149 1.289 1.00 0.00 O ATOM 138 CB GLN A 9 6.659 11.033 3.665 1.00 0.00 C ATOM 139 CG GLN A 9 7.164 10.032 4.693 1.00 0.00 C ATOM 140 CD GLN A 9 7.202 10.592 6.104 1.00 0.00 C ATOM 141 OE1 GLN A 9 8.354 10.511 6.747 1.00 0.00 O flip ATOM 142 NE2 GLN A 9 6.188 11.056 6.626 1.00 0.00 N flip ATOM 0 H GLN A 9 8.499 10.330 2.071 1.00 0.00 H new ATOM 0 HA GLN A 9 5.832 9.498 2.455 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.387 11.838 3.564 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.735 11.482 4.029 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.524 9.150 4.676 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.165 9.705 4.411 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.317 11.102 6.097 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.219 11.395 7.588 1.00 0.00 H new ATOM 151 N ARG A 10 6.247 12.221 0.694 1.00 0.00 N ATOM 152 CA ARG A 10 5.580 13.045 -0.304 1.00 0.00 C ATOM 153 C ARG A 10 4.994 12.159 -1.401 1.00 0.00 C ATOM 154 O ARG A 10 3.923 12.436 -1.937 1.00 0.00 O ATOM 155 CB ARG A 10 6.564 14.047 -0.919 1.00 0.00 C ATOM 156 CG ARG A 10 7.171 15.046 0.064 1.00 0.00 C ATOM 157 CD ARG A 10 6.157 16.040 0.610 1.00 0.00 C ATOM 158 NE ARG A 10 5.144 15.424 1.455 1.00 0.00 N ATOM 159 CZ ARG A 10 5.381 14.857 2.642 1.00 0.00 C ATOM 160 NH1 ARG A 10 6.606 14.846 3.154 1.00 0.00 N ATOM 161 NH2 ARG A 10 4.380 14.323 3.328 1.00 0.00 N ATOM 0 H ARG A 10 7.249 12.389 0.782 1.00 0.00 H new ATOM 0 HA ARG A 10 4.777 13.598 0.183 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.373 13.493 -1.395 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.051 14.601 -1.705 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.620 14.502 0.895 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.974 15.591 -0.431 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.681 16.806 1.182 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.668 16.544 -0.223 1.00 0.00 H new ATOM 0 HE ARG A 10 4.182 15.425 1.116 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.377 15.273 2.641 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.776 14.411 4.061 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.433 14.346 2.950 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.557 13.889 4.234 1.00 0.00 H new ATOM 175 N GLN A 11 5.727 11.100 -1.733 1.00 0.00 N ATOM 176 CA GLN A 11 5.326 10.165 -2.782 1.00 0.00 C ATOM 177 C GLN A 11 4.098 9.354 -2.373 1.00 0.00 C ATOM 178 O GLN A 11 3.166 9.180 -3.153 1.00 0.00 O ATOM 179 CB GLN A 11 6.494 9.233 -3.127 1.00 0.00 C ATOM 180 CG GLN A 11 6.162 8.177 -4.169 1.00 0.00 C ATOM 181 CD GLN A 11 7.364 7.329 -4.533 1.00 0.00 C ATOM 182 OE1 GLN A 11 8.353 7.833 -5.064 1.00 0.00 O ATOM 183 NE2 GLN A 11 7.296 6.041 -4.236 1.00 0.00 N ATOM 0 H GLN A 11 6.613 10.866 -1.285 1.00 0.00 H new ATOM 0 HA GLN A 11 5.057 10.744 -3.665 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.329 9.834 -3.488 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.829 8.736 -2.216 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.368 7.534 -3.790 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.778 8.663 -5.066 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.457 5.663 -3.796 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.082 5.427 -4.447 1.00 0.00 H new ATOM 192 N ILE A 12 4.106 8.838 -1.161 1.00 0.00 N ATOM 193 CA ILE A 12 2.997 8.032 -0.687 1.00 0.00 C ATOM 194 C ILE A 12 1.738 8.875 -0.568 1.00 0.00 C ATOM 195 O ILE A 12 0.652 8.453 -0.960 1.00 0.00 O ATOM 196 CB ILE A 12 3.299 7.379 0.677 1.00 0.00 C ATOM 197 CG1 ILE A 12 4.575 6.538 0.603 1.00 0.00 C ATOM 198 CG2 ILE A 12 2.124 6.524 1.120 1.00 0.00 C ATOM 199 CD1 ILE A 12 4.867 5.779 1.875 1.00 0.00 C ATOM 0 H ILE A 12 4.863 8.961 -0.489 1.00 0.00 H new ATOM 0 HA ILE A 12 2.845 7.240 -1.420 1.00 0.00 H new ATOM 0 HB ILE A 12 3.454 8.169 1.412 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.488 5.831 -0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.418 7.190 0.376 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.349 6.068 2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.235 7.147 1.212 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.944 5.742 0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.785 5.204 1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.986 6.482 2.699 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.041 5.102 2.092 1.00 0.00 H new ATOM 211 N ALA A 13 1.900 10.058 -0.008 1.00 0.00 N ATOM 212 CA ALA A 13 0.789 10.973 0.201 1.00 0.00 C ATOM 213 C ALA A 13 0.126 11.381 -1.113 1.00 0.00 C ATOM 214 O ALA A 13 -1.098 11.530 -1.178 1.00 0.00 O ATOM 215 CB ALA A 13 1.261 12.202 0.958 1.00 0.00 C ATOM 0 H ALA A 13 2.800 10.413 0.314 1.00 0.00 H new ATOM 0 HA ALA A 13 0.039 10.449 0.793 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.422 12.881 1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.663 11.901 1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.037 12.707 0.383 1.00 0.00 H new ATOM 221 N GLU A 14 0.936 11.635 -2.139 1.00 0.00 N ATOM 222 CA GLU A 14 0.410 12.111 -3.417 1.00 0.00 C ATOM 223 C GLU A 14 -0.444 11.043 -4.099 1.00 0.00 C ATOM 224 O GLU A 14 -1.436 11.363 -4.757 1.00 0.00 O ATOM 225 CB GLU A 14 1.520 12.602 -4.349 1.00 0.00 C ATOM 226 CG GLU A 14 2.503 11.530 -4.760 1.00 0.00 C ATOM 227 CD GLU A 14 3.561 12.038 -5.718 1.00 0.00 C ATOM 228 OE1 GLU A 14 3.511 13.228 -6.095 1.00 0.00 O ATOM 229 OE2 GLU A 14 4.445 11.242 -6.109 1.00 0.00 O ATOM 0 H GLU A 14 1.949 11.521 -2.112 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.229 12.966 -3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.066 13.026 -5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.063 13.408 -3.856 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.988 11.128 -3.870 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.962 10.707 -5.227 1.00 0.00 H new ATOM 236 N ASN A 15 -0.096 9.775 -3.907 1.00 0.00 N ATOM 237 CA ASN A 15 -0.892 8.691 -4.471 1.00 0.00 C ATOM 238 C ASN A 15 -2.150 8.469 -3.650 1.00 0.00 C ATOM 239 O ASN A 15 -2.091 8.332 -2.428 1.00 0.00 O ATOM 240 CB ASN A 15 -0.080 7.397 -4.556 1.00 0.00 C ATOM 241 CG ASN A 15 1.036 7.483 -5.577 1.00 0.00 C ATOM 242 OD1 ASN A 15 0.788 7.679 -6.766 1.00 0.00 O ATOM 243 ND2 ASN A 15 2.273 7.347 -5.127 1.00 0.00 N ATOM 0 H ASN A 15 0.720 9.475 -3.373 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.180 8.979 -5.482 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.343 7.172 -3.577 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.743 6.571 -4.815 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.060 7.404 -5.773 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.439 7.185 -4.134 1.00 0.00 H new ATOM 250 N PRO A 16 -3.316 8.472 -4.317 1.00 0.00 N ATOM 251 CA PRO A 16 -4.613 8.316 -3.649 1.00 0.00 C ATOM 252 C PRO A 16 -4.725 7.012 -2.899 1.00 0.00 C ATOM 253 O PRO A 16 -5.195 6.968 -1.765 1.00 0.00 O ATOM 254 CB PRO A 16 -5.606 8.302 -4.821 1.00 0.00 C ATOM 255 CG PRO A 16 -4.914 9.042 -5.909 1.00 0.00 C ATOM 256 CD PRO A 16 -3.466 8.679 -5.769 1.00 0.00 C ATOM 0 HA PRO A 16 -4.780 9.101 -2.911 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.846 7.283 -5.125 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.546 8.783 -4.550 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.299 8.756 -6.888 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.062 10.117 -5.810 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.219 7.779 -6.333 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.814 9.473 -6.133 1.00 0.00 H new ATOM 264 N ILE A 17 -4.268 5.957 -3.538 1.00 0.00 N ATOM 265 CA ILE A 17 -4.303 4.630 -2.956 1.00 0.00 C ATOM 266 C ILE A 17 -3.002 3.943 -3.326 1.00 0.00 C ATOM 267 O ILE A 17 -2.590 4.003 -4.487 1.00 0.00 O ATOM 268 CB ILE A 17 -5.487 3.800 -3.522 1.00 0.00 C ATOM 269 CG1 ILE A 17 -6.819 4.573 -3.449 1.00 0.00 C ATOM 270 CG2 ILE A 17 -5.614 2.473 -2.787 1.00 0.00 C ATOM 271 CD1 ILE A 17 -7.281 4.927 -2.048 1.00 0.00 C ATOM 0 H ILE A 17 -3.862 5.993 -4.473 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.430 4.707 -1.876 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.270 3.607 -4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.720 5.493 -4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.594 3.977 -3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.450 1.907 -3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.694 1.901 -2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.790 2.659 -1.727 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.225 5.468 -2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.419 4.014 -1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.531 5.553 -1.565 1.00 0.00 H new ATOM 283 N LEU A 18 -2.267 3.475 -2.336 1.00 0.00 N ATOM 284 CA LEU A 18 -0.922 3.005 -2.589 1.00 0.00 C ATOM 285 C LEU A 18 -0.655 1.673 -1.903 1.00 0.00 C ATOM 286 O LEU A 18 -1.131 1.414 -0.805 1.00 0.00 O ATOM 287 CB LEU A 18 0.078 4.058 -2.128 1.00 0.00 C ATOM 288 CG LEU A 18 1.506 3.866 -2.619 1.00 0.00 C ATOM 289 CD1 LEU A 18 1.543 3.848 -4.142 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.378 4.985 -2.076 1.00 0.00 C ATOM 0 H LEU A 18 -2.573 3.411 -1.365 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.809 2.843 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.273 5.036 -2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.086 4.073 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 18 1.888 2.910 -2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.570 3.710 -4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.927 3.028 -4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.159 4.793 -4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.402 4.851 -2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.998 5.945 -2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.361 4.963 -0.986 1.00 0.00 H new ATOM 302 N LEU A 19 0.080 0.823 -2.581 1.00 0.00 N ATOM 303 CA LEU A 19 0.394 -0.500 -2.084 1.00 0.00 C ATOM 304 C LEU A 19 1.864 -0.806 -2.300 1.00 0.00 C ATOM 305 O LEU A 19 2.306 -0.971 -3.422 1.00 0.00 O ATOM 306 CB LEU A 19 -0.474 -1.525 -2.824 1.00 0.00 C ATOM 307 CG LEU A 19 0.022 -2.972 -2.793 1.00 0.00 C ATOM 308 CD1 LEU A 19 0.095 -3.513 -1.369 1.00 0.00 C ATOM 309 CD2 LEU A 19 -0.870 -3.851 -3.648 1.00 0.00 C ATOM 0 H LEU A 19 0.480 1.029 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 19 0.188 -0.548 -1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.477 -1.497 -2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.561 -1.214 -3.865 1.00 0.00 H new ATOM 0 HG LEU A 19 1.032 -2.985 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.451 -4.543 -1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.782 -2.903 -0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.896 -3.481 -0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.506 -4.878 -3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.890 -3.816 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.856 -3.492 -4.677 1.00 0.00 H new ATOM 321 N TYR A 20 2.595 -0.999 -1.225 1.00 0.00 N ATOM 322 CA TYR A 20 3.978 -1.412 -1.343 1.00 0.00 C ATOM 323 C TYR A 20 4.106 -2.915 -1.189 1.00 0.00 C ATOM 324 O TYR A 20 3.781 -3.469 -0.137 1.00 0.00 O ATOM 325 CB TYR A 20 4.845 -0.716 -0.302 1.00 0.00 C ATOM 326 CG TYR A 20 5.274 0.684 -0.683 1.00 0.00 C ATOM 327 CD1 TYR A 20 4.357 1.709 -0.884 1.00 0.00 C ATOM 328 CD2 TYR A 20 6.625 0.973 -0.843 1.00 0.00 C ATOM 329 CE1 TYR A 20 4.782 2.975 -1.237 1.00 0.00 C ATOM 330 CE2 TYR A 20 7.055 2.233 -1.201 1.00 0.00 C ATOM 331 CZ TYR A 20 6.128 3.233 -1.397 1.00 0.00 C ATOM 332 OH TYR A 20 6.543 4.497 -1.759 1.00 0.00 O ATOM 0 H TYR A 20 2.261 -0.879 -0.269 1.00 0.00 H new ATOM 0 HA TYR A 20 4.324 -1.126 -2.337 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.297 -0.672 0.639 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.735 -1.320 -0.125 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.302 1.514 -0.763 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.354 0.192 -0.683 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.060 3.764 -1.388 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.109 2.434 -1.327 1.00 0.00 H new ATOM 0 HH TYR A 20 7.520 4.513 -1.829 1.00 0.00 H new ATOM 342 N MET A 21 4.584 -3.575 -2.237 1.00 0.00 N ATOM 343 CA MET A 21 4.753 -5.014 -2.200 1.00 0.00 C ATOM 344 C MET A 21 5.949 -5.518 -3.024 1.00 0.00 C ATOM 345 O MET A 21 6.887 -4.772 -3.308 1.00 0.00 O ATOM 346 CB MET A 21 3.446 -5.678 -2.607 1.00 0.00 C ATOM 347 CG MET A 21 2.764 -5.161 -3.876 1.00 0.00 C ATOM 348 SD MET A 21 3.651 -5.512 -5.400 1.00 0.00 S ATOM 349 CE MET A 21 4.826 -4.177 -5.505 1.00 0.00 C ATOM 0 H MET A 21 4.859 -3.136 -3.116 1.00 0.00 H new ATOM 0 HA MET A 21 4.997 -5.296 -1.176 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.634 -6.744 -2.735 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.743 -5.575 -1.780 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.768 -5.599 -3.942 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.632 -4.083 -3.788 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.105 -4.019 -6.547 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.379 -3.266 -5.107 1.00 0.00 H new ATOM 0 HE3 MET A 21 5.715 -4.428 -4.926 1.00 0.00 H new ATOM 359 N LYS A 22 5.926 -6.788 -3.413 1.00 0.00 N ATOM 360 CA LYS A 22 7.021 -7.349 -4.196 1.00 0.00 C ATOM 361 C LYS A 22 6.646 -7.364 -5.663 1.00 0.00 C ATOM 362 O LYS A 22 5.801 -8.137 -6.081 1.00 0.00 O ATOM 363 CB LYS A 22 7.353 -8.767 -3.712 1.00 0.00 C ATOM 364 CG LYS A 22 8.592 -9.378 -4.358 1.00 0.00 C ATOM 365 CD LYS A 22 8.913 -10.747 -3.765 1.00 0.00 C ATOM 366 CE LYS A 22 10.190 -11.340 -4.346 1.00 0.00 C ATOM 367 NZ LYS A 22 10.103 -11.558 -5.815 1.00 0.00 N ATOM 0 H LYS A 22 5.172 -7.441 -3.202 1.00 0.00 H new ATOM 0 HA LYS A 22 7.906 -6.727 -4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.495 -8.745 -2.631 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.499 -9.415 -3.909 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.434 -9.473 -5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.443 -8.711 -4.219 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.015 -10.658 -2.683 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.081 -11.426 -3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.026 -10.675 -4.130 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.402 -12.289 -3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.014 -11.915 -6.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.357 -12.253 -6.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.877 -10.659 -6.287 1.00 0.00 H new ATOM 381 N GLY A 23 7.257 -6.496 -6.433 1.00 0.00 N ATOM 382 CA GLY A 23 6.925 -6.414 -7.836 1.00 0.00 C ATOM 383 C GLY A 23 7.869 -7.226 -8.682 1.00 0.00 C ATOM 384 O GLY A 23 9.086 -7.133 -8.529 1.00 0.00 O ATOM 0 H GLY A 23 7.977 -5.845 -6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.905 -6.766 -7.989 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.954 -5.373 -8.156 1.00 0.00 H new ATOM 388 N SER A 24 7.311 -8.105 -9.491 1.00 0.00 N ATOM 389 CA SER A 24 8.110 -9.029 -10.272 1.00 0.00 C ATOM 390 C SER A 24 7.429 -9.301 -11.612 1.00 0.00 C ATOM 391 O SER A 24 6.205 -9.312 -11.692 1.00 0.00 O ATOM 392 CB SER A 24 8.295 -10.329 -9.480 1.00 0.00 C ATOM 393 OG SER A 24 9.110 -11.254 -10.172 1.00 0.00 O ATOM 0 H SER A 24 6.304 -8.199 -9.625 1.00 0.00 H new ATOM 0 HA SER A 24 9.090 -8.595 -10.471 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.742 -10.104 -8.512 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.321 -10.778 -9.285 1.00 0.00 H new ATOM 0 HG SER A 24 9.971 -11.339 -9.712 1.00 0.00 H new ATOM 399 N PRO A 25 8.204 -9.490 -12.694 1.00 0.00 N ATOM 400 CA PRO A 25 7.640 -9.744 -14.026 1.00 0.00 C ATOM 401 C PRO A 25 6.711 -10.957 -14.010 1.00 0.00 C ATOM 402 O PRO A 25 5.619 -10.930 -14.581 1.00 0.00 O ATOM 403 CB PRO A 25 8.873 -10.012 -14.895 1.00 0.00 C ATOM 404 CG PRO A 25 9.997 -9.342 -14.181 1.00 0.00 C ATOM 405 CD PRO A 25 9.678 -9.452 -12.716 1.00 0.00 C ATOM 0 HA PRO A 25 7.035 -8.914 -14.391 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.055 -11.081 -15.004 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.745 -9.607 -15.899 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.948 -9.823 -14.411 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.086 -8.299 -14.484 1.00 0.00 H new ATOM 0 HD2 PRO A 25 10.111 -10.351 -12.276 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.067 -8.603 -12.154 1.00 0.00 H new ATOM 413 N LYS A 26 7.137 -11.990 -13.289 1.00 0.00 N ATOM 414 CA LYS A 26 6.345 -13.203 -13.105 1.00 0.00 C ATOM 415 C LYS A 26 5.069 -12.929 -12.304 1.00 0.00 C ATOM 416 O LYS A 26 4.067 -13.620 -12.474 1.00 0.00 O ATOM 417 CB LYS A 26 7.185 -14.290 -12.421 1.00 0.00 C ATOM 418 CG LYS A 26 7.746 -13.880 -11.069 1.00 0.00 C ATOM 419 CD LYS A 26 8.653 -14.952 -10.486 1.00 0.00 C ATOM 420 CE LYS A 26 9.227 -14.515 -9.148 1.00 0.00 C ATOM 421 NZ LYS A 26 10.149 -15.530 -8.575 1.00 0.00 N ATOM 0 H LYS A 26 8.040 -12.010 -12.816 1.00 0.00 H new ATOM 0 HA LYS A 26 6.045 -13.556 -14.092 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.571 -15.182 -12.293 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.011 -14.563 -13.078 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.304 -12.949 -11.174 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.925 -13.684 -10.379 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.092 -15.878 -10.360 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.465 -15.164 -11.182 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.760 -13.572 -9.273 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.412 -14.330 -8.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.516 -15.190 -7.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.636 -16.423 -8.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.941 -15.688 -9.230 1.00 0.00 H new ATOM 435 N LEU A 27 5.135 -11.975 -11.377 1.00 0.00 N ATOM 436 CA LEU A 27 4.011 -11.685 -10.493 1.00 0.00 C ATOM 437 C LEU A 27 4.180 -10.288 -9.902 1.00 0.00 C ATOM 438 O LEU A 27 5.180 -10.021 -9.235 1.00 0.00 O ATOM 439 CB LEU A 27 4.011 -12.694 -9.365 1.00 0.00 C ATOM 440 CG LEU A 27 2.640 -13.026 -8.769 1.00 0.00 C ATOM 441 CD1 LEU A 27 1.981 -11.819 -8.126 1.00 0.00 C ATOM 442 CD2 LEU A 27 1.734 -13.621 -9.833 1.00 0.00 C ATOM 0 H LEU A 27 5.956 -11.390 -11.220 1.00 0.00 H new ATOM 0 HA LEU A 27 3.077 -11.738 -11.052 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.462 -13.618 -9.729 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.652 -12.319 -8.567 1.00 0.00 H new ATOM 0 HG LEU A 27 2.800 -13.761 -7.980 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.012 -12.107 -7.719 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.615 -11.443 -7.323 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.842 -11.039 -8.874 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.763 -13.852 -9.396 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.605 -12.904 -10.644 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.183 -14.534 -10.224 1.00 0.00 H new ATOM 454 N PRO A 28 3.229 -9.370 -10.143 1.00 0.00 N ATOM 455 CA PRO A 28 3.322 -7.993 -9.647 1.00 0.00 C ATOM 456 C PRO A 28 3.081 -7.853 -8.147 1.00 0.00 C ATOM 457 O PRO A 28 2.810 -6.759 -7.679 1.00 0.00 O ATOM 458 CB PRO A 28 2.209 -7.269 -10.404 1.00 0.00 C ATOM 459 CG PRO A 28 1.230 -8.318 -10.773 1.00 0.00 C ATOM 460 CD PRO A 28 2.011 -9.585 -10.944 1.00 0.00 C ATOM 0 HA PRO A 28 4.326 -7.598 -9.805 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.746 -6.503 -9.782 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.599 -6.768 -11.290 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.472 -8.431 -9.998 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.709 -8.056 -11.694 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.449 -10.450 -10.590 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.250 -9.767 -11.992 1.00 0.00 H new ATOM 468 N SER A 29 3.240 -8.945 -7.410 1.00 0.00 N ATOM 469 CA SER A 29 3.126 -8.958 -5.962 1.00 0.00 C ATOM 470 C SER A 29 3.615 -10.293 -5.407 1.00 0.00 C ATOM 471 O SER A 29 2.842 -11.050 -4.824 1.00 0.00 O ATOM 472 CB SER A 29 1.704 -8.651 -5.531 1.00 0.00 C ATOM 473 OG SER A 29 0.757 -9.463 -6.206 1.00 0.00 O ATOM 0 H SER A 29 3.455 -9.858 -7.810 1.00 0.00 H new ATOM 0 HA SER A 29 3.762 -8.175 -5.550 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.610 -8.803 -4.456 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.485 -7.601 -5.725 1.00 0.00 H new ATOM 0 HG SER A 29 0.978 -10.408 -6.066 1.00 0.00 H new ATOM 479 N CYS A 30 4.825 -10.660 -5.799 1.00 0.00 N ATOM 480 CA CYS A 30 5.348 -12.010 -5.573 1.00 0.00 C ATOM 481 C CYS A 30 5.326 -12.441 -4.099 1.00 0.00 C ATOM 482 O CYS A 30 5.146 -13.623 -3.808 1.00 0.00 O ATOM 483 CB CYS A 30 6.766 -12.099 -6.140 1.00 0.00 C ATOM 484 SG CYS A 30 7.552 -13.717 -5.975 1.00 0.00 S ATOM 0 H CYS A 30 5.474 -10.038 -6.281 1.00 0.00 H new ATOM 0 HA CYS A 30 4.686 -12.704 -6.091 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.736 -11.832 -7.196 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.388 -11.356 -5.641 1.00 0.00 H new ATOM 0 HG CYS A 30 6.952 -14.398 -5.044 1.00 0.00 H new ATOM 490 N GLY A 31 5.611 -11.513 -3.187 1.00 0.00 N ATOM 491 CA GLY A 31 5.720 -11.853 -1.769 1.00 0.00 C ATOM 492 C GLY A 31 4.394 -12.240 -1.122 1.00 0.00 C ATOM 493 O GLY A 31 3.605 -12.990 -1.691 1.00 0.00 O ATOM 0 H GLY A 31 5.769 -10.528 -3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.422 -12.679 -1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.140 -11.002 -1.233 1.00 0.00 H new ATOM 497 N PHE A 32 4.138 -11.717 0.074 1.00 0.00 N ATOM 498 CA PHE A 32 2.894 -12.018 0.782 1.00 0.00 C ATOM 499 C PHE A 32 1.746 -11.279 0.142 1.00 0.00 C ATOM 500 O PHE A 32 0.621 -11.751 0.121 1.00 0.00 O ATOM 501 CB PHE A 32 2.952 -11.615 2.256 1.00 0.00 C ATOM 502 CG PHE A 32 3.876 -12.434 3.096 1.00 0.00 C ATOM 503 CD1 PHE A 32 5.237 -12.468 2.850 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.364 -13.182 4.139 1.00 0.00 C ATOM 505 CE1 PHE A 32 6.076 -13.235 3.634 1.00 0.00 C ATOM 506 CE2 PHE A 32 4.195 -13.952 4.930 1.00 0.00 C ATOM 507 CZ PHE A 32 5.554 -13.977 4.678 1.00 0.00 C ATOM 0 H PHE A 32 4.768 -11.088 0.571 1.00 0.00 H new ATOM 0 HA PHE A 32 2.751 -13.097 0.720 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.256 -10.570 2.320 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.948 -11.681 2.675 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.648 -11.889 2.036 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.303 -13.165 4.338 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.137 -13.255 3.433 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.784 -14.533 5.743 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.207 -14.575 5.296 1.00 0.00 H new ATOM 517 N SER A 33 2.056 -10.109 -0.374 1.00 0.00 N ATOM 518 CA SER A 33 1.089 -9.242 -1.023 1.00 0.00 C ATOM 519 C SER A 33 0.192 -9.976 -2.016 1.00 0.00 C ATOM 520 O SER A 33 -0.906 -9.515 -2.297 1.00 0.00 O ATOM 521 CB SER A 33 1.842 -8.130 -1.714 1.00 0.00 C ATOM 522 OG SER A 33 2.886 -8.662 -2.519 1.00 0.00 O ATOM 0 H SER A 33 3.001 -9.725 -0.355 1.00 0.00 H new ATOM 0 HA SER A 33 0.421 -8.846 -0.258 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.158 -7.549 -2.332 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.258 -7.448 -0.972 1.00 0.00 H new ATOM 0 HG SER A 33 3.728 -8.641 -2.018 1.00 0.00 H new ATOM 528 N ALA A 34 0.648 -11.125 -2.508 1.00 0.00 N ATOM 529 CA ALA A 34 -0.133 -11.941 -3.427 1.00 0.00 C ATOM 530 C ALA A 34 -1.563 -12.155 -2.925 1.00 0.00 C ATOM 531 O ALA A 34 -2.506 -12.067 -3.703 1.00 0.00 O ATOM 532 CB ALA A 34 0.549 -13.280 -3.653 1.00 0.00 C ATOM 0 H ALA A 34 1.564 -11.513 -2.281 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.192 -11.403 -4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.046 -13.880 -4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.540 -13.117 -4.077 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.643 -13.806 -2.703 1.00 0.00 H new ATOM 538 N GLN A 35 -1.743 -12.413 -1.627 1.00 0.00 N ATOM 539 CA GLN A 35 -3.095 -12.593 -1.105 1.00 0.00 C ATOM 540 C GLN A 35 -3.759 -11.226 -0.862 1.00 0.00 C ATOM 541 O GLN A 35 -4.973 -11.083 -0.985 1.00 0.00 O ATOM 542 CB GLN A 35 -3.142 -13.477 0.172 1.00 0.00 C ATOM 543 CG GLN A 35 -3.009 -12.755 1.508 1.00 0.00 C ATOM 544 CD GLN A 35 -1.611 -12.288 1.819 1.00 0.00 C ATOM 545 OE1 GLN A 35 -1.431 -10.981 1.862 1.00 0.00 O flip ATOM 546 NE2 GLN A 35 -0.700 -13.091 2.005 1.00 0.00 N flip ATOM 0 H GLN A 35 -0.995 -12.499 -0.939 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.661 -13.133 -1.864 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.085 -14.024 0.173 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.344 -14.217 0.104 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.677 -11.894 1.511 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.343 -13.421 2.303 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.887 -14.093 1.962 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.243 -12.756 2.203 1.00 0.00 H new ATOM 555 N ALA A 36 -2.956 -10.251 -0.435 1.00 0.00 N ATOM 556 CA ALA A 36 -3.452 -8.923 -0.060 1.00 0.00 C ATOM 557 C ALA A 36 -3.959 -8.131 -1.256 1.00 0.00 C ATOM 558 O ALA A 36 -5.006 -7.488 -1.188 1.00 0.00 O ATOM 559 CB ALA A 36 -2.359 -8.144 0.652 1.00 0.00 C ATOM 0 H ALA A 36 -1.946 -10.357 -0.339 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.299 -9.072 0.610 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.735 -7.159 0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.056 -8.681 1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.501 -8.033 -0.011 1.00 0.00 H new ATOM 565 N VAL A 37 -3.196 -8.166 -2.337 1.00 0.00 N ATOM 566 CA VAL A 37 -3.531 -7.439 -3.556 1.00 0.00 C ATOM 567 C VAL A 37 -4.943 -7.786 -4.013 1.00 0.00 C ATOM 568 O VAL A 37 -5.690 -6.925 -4.483 1.00 0.00 O ATOM 569 CB VAL A 37 -2.514 -7.747 -4.687 1.00 0.00 C ATOM 570 CG1 VAL A 37 -2.475 -9.230 -5.028 1.00 0.00 C ATOM 571 CG2 VAL A 37 -2.822 -6.936 -5.934 1.00 0.00 C ATOM 0 H VAL A 37 -2.328 -8.698 -2.396 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.483 -6.373 -3.334 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.531 -7.461 -4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.750 -9.401 -5.824 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.185 -9.799 -4.145 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.462 -9.553 -5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.094 -7.172 -6.710 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.823 -7.181 -6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.770 -5.873 -5.699 1.00 0.00 H new ATOM 581 N GLN A 38 -5.293 -9.054 -3.862 1.00 0.00 N ATOM 582 CA GLN A 38 -6.600 -9.540 -4.250 1.00 0.00 C ATOM 583 C GLN A 38 -7.676 -8.872 -3.409 1.00 0.00 C ATOM 584 O GLN A 38 -8.682 -8.411 -3.933 1.00 0.00 O ATOM 585 CB GLN A 38 -6.674 -11.058 -4.062 1.00 0.00 C ATOM 586 CG GLN A 38 -5.427 -11.801 -4.520 1.00 0.00 C ATOM 587 CD GLN A 38 -5.066 -11.593 -5.989 1.00 0.00 C ATOM 588 OE1 GLN A 38 -5.911 -10.906 -6.744 1.00 0.00 O flip ATOM 589 NE2 GLN A 38 -4.041 -12.093 -6.454 1.00 0.00 N flip ATOM 0 H GLN A 38 -4.680 -9.768 -3.469 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.763 -9.300 -5.300 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.847 -11.275 -3.008 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.534 -11.440 -4.611 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.585 -11.485 -3.904 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.569 -12.867 -4.342 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.409 -12.617 -5.848 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.824 -11.983 -7.445 1.00 0.00 H new ATOM 598 N ALA A 39 -7.447 -8.834 -2.101 1.00 0.00 N ATOM 599 CA ALA A 39 -8.389 -8.242 -1.161 1.00 0.00 C ATOM 600 C ALA A 39 -8.652 -6.775 -1.471 1.00 0.00 C ATOM 601 O ALA A 39 -9.778 -6.301 -1.343 1.00 0.00 O ATOM 602 CB ALA A 39 -7.874 -8.388 0.260 1.00 0.00 C ATOM 0 H ALA A 39 -6.606 -9.212 -1.665 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.333 -8.777 -1.262 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.587 -7.942 0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.752 -9.445 0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.913 -7.882 0.352 1.00 0.00 H new ATOM 608 N LEU A 40 -7.597 -6.046 -1.802 1.00 0.00 N ATOM 609 CA LEU A 40 -7.705 -4.612 -2.044 1.00 0.00 C ATOM 610 C LEU A 40 -8.629 -4.355 -3.219 1.00 0.00 C ATOM 611 O LEU A 40 -9.625 -3.642 -3.102 1.00 0.00 O ATOM 612 CB LEU A 40 -6.335 -4.049 -2.389 1.00 0.00 C ATOM 613 CG LEU A 40 -6.066 -2.598 -1.952 1.00 0.00 C ATOM 614 CD1 LEU A 40 -4.710 -2.135 -2.463 1.00 0.00 C ATOM 615 CD2 LEU A 40 -7.160 -1.647 -2.414 1.00 0.00 C ATOM 0 H LEU A 40 -6.655 -6.422 -1.910 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.098 -4.135 -1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.578 -4.689 -1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.201 -4.112 -3.469 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.063 -2.582 -0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.533 -1.107 -2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.929 -2.779 -2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.694 -2.187 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.927 -0.635 -2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.224 -1.667 -3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.115 -1.957 -1.989 1.00 0.00 H new ATOM 627 N ALA A 41 -8.283 -4.965 -4.343 1.00 0.00 N ATOM 628 CA ALA A 41 -9.054 -4.845 -5.567 1.00 0.00 C ATOM 629 C ALA A 41 -10.445 -5.418 -5.371 1.00 0.00 C ATOM 630 O ALA A 41 -11.407 -4.983 -6.003 1.00 0.00 O ATOM 631 CB ALA A 41 -8.341 -5.546 -6.712 1.00 0.00 C ATOM 0 H ALA A 41 -7.458 -5.558 -4.430 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.150 -3.789 -5.818 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.931 -5.447 -7.623 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.362 -5.092 -6.863 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.218 -6.602 -6.472 1.00 0.00 H new ATOM 637 N ALA A 42 -10.537 -6.408 -4.500 1.00 0.00 N ATOM 638 CA ALA A 42 -11.816 -7.053 -4.224 1.00 0.00 C ATOM 639 C ALA A 42 -12.727 -6.126 -3.434 1.00 0.00 C ATOM 640 O ALA A 42 -13.894 -5.942 -3.779 1.00 0.00 O ATOM 641 CB ALA A 42 -11.619 -8.362 -3.478 1.00 0.00 C ATOM 0 H ALA A 42 -9.749 -6.783 -3.973 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.290 -7.274 -5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.589 -8.821 -3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.012 -9.037 -4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.115 -8.169 -2.531 1.00 0.00 H new ATOM 647 N CYS A 43 -12.178 -5.526 -2.387 1.00 0.00 N ATOM 648 CA CYS A 43 -12.927 -4.592 -1.567 1.00 0.00 C ATOM 649 C CYS A 43 -13.178 -3.259 -2.274 1.00 0.00 C ATOM 650 O CYS A 43 -14.322 -2.816 -2.376 1.00 0.00 O ATOM 651 CB CYS A 43 -12.196 -4.341 -0.252 1.00 0.00 C ATOM 652 SG CYS A 43 -12.662 -5.435 1.095 1.00 0.00 S ATOM 0 H CYS A 43 -11.214 -5.672 -2.087 1.00 0.00 H new ATOM 0 HA CYS A 43 -13.897 -5.050 -1.374 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -11.124 -4.438 -0.425 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -12.377 -3.311 0.057 1.00 0.00 H new ATOM 0 HG CYS A 43 -13.841 -5.106 1.533 1.00 0.00 H new ATOM 658 N GLY A 44 -12.108 -2.586 -2.682 1.00 0.00 N ATOM 659 CA GLY A 44 -12.253 -1.272 -3.277 1.00 0.00 C ATOM 660 C GLY A 44 -12.097 -1.246 -4.785 1.00 0.00 C ATOM 661 O GLY A 44 -12.429 -2.204 -5.487 1.00 0.00 O ATOM 0 H GLY A 44 -11.148 -2.925 -2.612 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.235 -0.876 -3.019 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.514 -0.603 -2.836 1.00 0.00 H new ATOM 665 N GLU A 45 -11.585 -0.122 -5.263 1.00 0.00 N ATOM 666 CA GLU A 45 -11.351 0.122 -6.676 1.00 0.00 C ATOM 667 C GLU A 45 -9.867 0.051 -7.026 1.00 0.00 C ATOM 668 O GLU A 45 -9.082 -0.614 -6.349 1.00 0.00 O ATOM 669 CB GLU A 45 -11.908 1.490 -7.067 1.00 0.00 C ATOM 670 CG GLU A 45 -13.423 1.548 -7.125 1.00 0.00 C ATOM 671 CD GLU A 45 -13.992 0.729 -8.266 1.00 0.00 C ATOM 672 OE1 GLU A 45 -13.201 0.131 -9.032 1.00 0.00 O ATOM 673 OE2 GLU A 45 -15.229 0.706 -8.430 1.00 0.00 O ATOM 0 H GLU A 45 -11.316 0.661 -4.667 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.864 -0.660 -7.236 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.554 2.233 -6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.507 1.769 -8.041 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.834 1.186 -6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.740 2.585 -7.233 1.00 0.00 H new ATOM 680 N ARG A 46 -9.500 0.751 -8.100 1.00 0.00 N ATOM 681 CA ARG A 46 -8.125 0.798 -8.577 1.00 0.00 C ATOM 682 C ARG A 46 -7.199 1.413 -7.547 1.00 0.00 C ATOM 683 O ARG A 46 -7.626 2.171 -6.673 1.00 0.00 O ATOM 684 CB ARG A 46 -8.033 1.597 -9.873 1.00 0.00 C ATOM 685 CG ARG A 46 -8.898 1.052 -10.990 1.00 0.00 C ATOM 686 CD ARG A 46 -8.532 -0.383 -11.354 1.00 0.00 C ATOM 687 NE ARG A 46 -9.350 -0.899 -12.456 1.00 0.00 N ATOM 688 CZ ARG A 46 -10.679 -1.040 -12.409 1.00 0.00 C ATOM 689 NH1 ARG A 46 -11.350 -0.760 -11.295 1.00 0.00 N ATOM 690 NH2 ARG A 46 -11.335 -1.470 -13.477 1.00 0.00 N ATOM 0 H ARG A 46 -10.151 1.300 -8.661 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.812 -0.230 -8.758 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.321 2.629 -9.674 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.995 1.614 -10.205 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.945 1.093 -10.690 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.794 1.686 -11.870 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.479 -0.428 -11.633 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.658 -1.022 -10.480 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.873 -1.169 -13.316 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.851 -0.435 -10.467 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.364 -0.871 -11.269 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.826 -1.693 -14.333 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.349 -1.578 -13.444 1.00 0.00 H new ATOM 704 N PHE A 47 -5.946 1.010 -7.613 1.00 0.00 N ATOM 705 CA PHE A 47 -4.961 1.423 -6.637 1.00 0.00 C ATOM 706 C PHE A 47 -3.571 1.432 -7.265 1.00 0.00 C ATOM 707 O PHE A 47 -3.302 0.686 -8.207 1.00 0.00 O ATOM 708 CB PHE A 47 -4.999 0.474 -5.436 1.00 0.00 C ATOM 709 CG PHE A 47 -4.581 -0.941 -5.738 1.00 0.00 C ATOM 710 CD1 PHE A 47 -3.239 -1.274 -5.861 1.00 0.00 C ATOM 711 CD2 PHE A 47 -5.528 -1.948 -5.838 1.00 0.00 C ATOM 712 CE1 PHE A 47 -2.852 -2.578 -6.094 1.00 0.00 C ATOM 713 CE2 PHE A 47 -5.144 -3.259 -6.064 1.00 0.00 C ATOM 714 CZ PHE A 47 -3.807 -3.572 -6.193 1.00 0.00 C ATOM 0 H PHE A 47 -5.585 0.392 -8.339 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.192 2.433 -6.298 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.350 0.871 -4.656 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.011 0.461 -5.032 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.488 -0.503 -5.773 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.576 -1.708 -5.739 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.805 -2.821 -6.199 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.891 -4.036 -6.139 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.506 -4.594 -6.371 1.00 0.00 H new ATOM 724 N ALA A 48 -2.682 2.217 -6.695 1.00 0.00 N ATOM 725 CA ALA A 48 -1.299 2.247 -7.141 1.00 0.00 C ATOM 726 C ALA A 48 -0.453 1.379 -6.236 1.00 0.00 C ATOM 727 O ALA A 48 -0.799 1.174 -5.078 1.00 0.00 O ATOM 728 CB ALA A 48 -0.758 3.664 -7.190 1.00 0.00 C ATOM 0 H ALA A 48 -2.890 2.846 -5.919 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.257 1.852 -8.156 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.278 3.646 -7.528 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.355 4.258 -7.882 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.808 4.107 -6.195 1.00 0.00 H new ATOM 734 N TYR A 49 0.600 0.800 -6.779 1.00 0.00 N ATOM 735 CA TYR A 49 1.415 -0.123 -6.023 1.00 0.00 C ATOM 736 C TYR A 49 2.887 0.181 -6.297 1.00 0.00 C ATOM 737 O TYR A 49 3.230 0.699 -7.362 1.00 0.00 O ATOM 738 CB TYR A 49 1.064 -1.577 -6.397 1.00 0.00 C ATOM 739 CG TYR A 49 1.783 -2.128 -7.604 1.00 0.00 C ATOM 740 CD1 TYR A 49 3.118 -2.463 -7.504 1.00 0.00 C ATOM 741 CD2 TYR A 49 1.136 -2.359 -8.807 1.00 0.00 C ATOM 742 CE1 TYR A 49 3.811 -2.997 -8.558 1.00 0.00 C ATOM 743 CE2 TYR A 49 1.820 -2.905 -9.881 1.00 0.00 C ATOM 744 CZ TYR A 49 3.161 -3.219 -9.752 1.00 0.00 C ATOM 745 OH TYR A 49 3.844 -3.759 -10.817 1.00 0.00 O ATOM 0 H TYR A 49 0.909 0.954 -7.739 1.00 0.00 H new ATOM 0 HA TYR A 49 1.221 -0.004 -4.957 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.283 -2.217 -5.542 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.010 -1.639 -6.575 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.631 -2.299 -6.568 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.090 -2.111 -8.908 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.858 -3.242 -8.454 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.308 -3.085 -10.815 1.00 0.00 H new ATOM 0 HH TYR A 49 3.238 -3.851 -11.582 1.00 0.00 H new ATOM 755 N VAL A 50 3.743 -0.115 -5.337 1.00 0.00 N ATOM 756 CA VAL A 50 5.166 0.141 -5.470 1.00 0.00 C ATOM 757 C VAL A 50 5.961 -1.090 -5.089 1.00 0.00 C ATOM 758 O VAL A 50 5.773 -1.652 -4.008 1.00 0.00 O ATOM 759 CB VAL A 50 5.617 1.303 -4.559 1.00 0.00 C ATOM 760 CG1 VAL A 50 7.097 1.594 -4.747 1.00 0.00 C ATOM 761 CG2 VAL A 50 4.784 2.550 -4.812 1.00 0.00 C ATOM 0 H VAL A 50 3.475 -0.537 -4.448 1.00 0.00 H new ATOM 0 HA VAL A 50 5.348 0.405 -6.512 1.00 0.00 H new ATOM 0 HB VAL A 50 5.460 0.999 -3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.392 2.416 -4.095 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.677 0.706 -4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.285 1.869 -5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.123 3.353 -4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.896 2.858 -5.852 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.735 2.334 -4.609 1.00 0.00 H new ATOM 771 N ASP A 51 6.878 -1.478 -5.958 1.00 0.00 N ATOM 772 CA ASP A 51 7.744 -2.608 -5.688 1.00 0.00 C ATOM 773 C ASP A 51 8.818 -2.228 -4.668 1.00 0.00 C ATOM 774 O ASP A 51 9.386 -1.142 -4.726 1.00 0.00 O ATOM 775 CB ASP A 51 8.353 -3.146 -6.995 1.00 0.00 C ATOM 776 CG ASP A 51 9.196 -2.135 -7.758 1.00 0.00 C ATOM 777 OD1 ASP A 51 10.304 -1.803 -7.299 1.00 0.00 O ATOM 778 OD2 ASP A 51 8.740 -1.659 -8.821 1.00 0.00 O ATOM 0 H ASP A 51 7.041 -1.025 -6.857 1.00 0.00 H new ATOM 0 HA ASP A 51 7.151 -3.412 -5.252 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.970 -4.014 -6.764 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.547 -3.491 -7.642 1.00 0.00 H new ATOM 783 N ILE A 52 9.027 -3.094 -3.682 1.00 0.00 N ATOM 784 CA ILE A 52 9.964 -2.821 -2.591 1.00 0.00 C ATOM 785 C ILE A 52 10.601 -4.090 -2.047 1.00 0.00 C ATOM 786 O ILE A 52 11.802 -4.110 -1.835 1.00 0.00 O ATOM 787 CB ILE A 52 9.363 -1.976 -1.441 1.00 0.00 C ATOM 788 CG1 ILE A 52 7.868 -2.202 -1.304 1.00 0.00 C ATOM 789 CG2 ILE A 52 9.676 -0.508 -1.620 1.00 0.00 C ATOM 790 CD1 ILE A 52 7.505 -3.553 -0.768 1.00 0.00 C ATOM 0 H ILE A 52 8.558 -3.997 -3.614 1.00 0.00 H new ATOM 0 HA ILE A 52 10.745 -2.212 -3.046 1.00 0.00 H new ATOM 0 HB ILE A 52 9.831 -2.308 -0.515 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.454 -1.438 -0.646 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.400 -2.071 -2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.241 0.060 -0.797 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.757 -0.365 -1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.256 -0.159 -2.564 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.420 -3.638 -0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.888 -4.324 -1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.942 -3.681 0.222 1.00 0.00 H new ATOM 802 N LEU A 53 9.864 -5.204 -2.021 1.00 0.00 N ATOM 803 CA LEU A 53 10.510 -6.490 -1.734 1.00 0.00 C ATOM 804 C LEU A 53 11.437 -6.866 -2.888 1.00 0.00 C ATOM 805 O LEU A 53 12.204 -7.823 -2.809 1.00 0.00 O ATOM 806 CB LEU A 53 9.521 -7.639 -1.477 1.00 0.00 C ATOM 807 CG LEU A 53 8.630 -7.532 -0.235 1.00 0.00 C ATOM 808 CD1 LEU A 53 9.375 -6.868 0.904 1.00 0.00 C ATOM 809 CD2 LEU A 53 7.320 -6.826 -0.530 1.00 0.00 C ATOM 0 H LEU A 53 8.859 -5.246 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 53 11.071 -6.352 -0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.874 -7.730 -2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.091 -8.565 -1.405 1.00 0.00 H new ATOM 0 HG LEU A 53 8.375 -8.546 0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.724 -6.802 1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.257 -7.457 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.681 -5.866 0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.722 -6.774 0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.523 -5.817 -0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.772 -7.379 -1.293 1.00 0.00 H new ATOM 821 N GLN A 54 11.360 -6.078 -3.950 1.00 0.00 N ATOM 822 CA GLN A 54 12.183 -6.268 -5.127 1.00 0.00 C ATOM 823 C GLN A 54 13.427 -5.364 -5.047 1.00 0.00 C ATOM 824 O GLN A 54 14.534 -5.803 -5.351 1.00 0.00 O ATOM 825 CB GLN A 54 11.330 -6.009 -6.393 1.00 0.00 C ATOM 826 CG GLN A 54 12.078 -6.160 -7.718 1.00 0.00 C ATOM 827 CD GLN A 54 12.858 -4.923 -8.139 1.00 0.00 C ATOM 828 OE1 GLN A 54 12.609 -3.799 -7.484 1.00 0.00 O flip ATOM 829 NE2 GLN A 54 13.633 -4.966 -9.092 1.00 0.00 N flip ATOM 0 H GLN A 54 10.721 -5.286 -4.016 1.00 0.00 H new ATOM 0 HA GLN A 54 12.544 -7.295 -5.181 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.484 -6.697 -6.390 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.921 -5.000 -6.337 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.767 -7.001 -7.639 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.361 -6.407 -8.501 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.801 -5.850 -9.573 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.108 -4.118 -9.402 1.00 0.00 H new ATOM 838 N ASN A 55 13.254 -4.142 -4.538 1.00 0.00 N ATOM 839 CA ASN A 55 14.384 -3.234 -4.301 1.00 0.00 C ATOM 840 C ASN A 55 15.112 -3.594 -3.017 1.00 0.00 C ATOM 841 O ASN A 55 14.500 -3.709 -1.965 1.00 0.00 O ATOM 842 CB ASN A 55 13.910 -1.781 -4.221 1.00 0.00 C ATOM 843 CG ASN A 55 13.300 -1.300 -5.518 1.00 0.00 C ATOM 844 OD1 ASN A 55 12.048 -0.889 -5.466 1.00 0.00 O flip ATOM 845 ND2 ASN A 55 13.956 -1.291 -6.560 1.00 0.00 N flip ATOM 0 H ASN A 55 12.345 -3.757 -4.282 1.00 0.00 H new ATOM 0 HA ASN A 55 15.069 -3.342 -5.142 1.00 0.00 H new ATOM 0 HB2 ASN A 55 13.177 -1.685 -3.420 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.753 -1.141 -3.960 1.00 0.00 H new ATOM 0 HD21 ASN A 55 14.922 -1.618 -6.557 1.00 0.00 H new ATOM 0 HD22 ASN A 55 13.533 -0.957 -7.426 1.00 0.00 H new ATOM 852 N PRO A 56 16.433 -3.763 -3.084 1.00 0.00 N ATOM 853 CA PRO A 56 17.239 -4.102 -1.911 1.00 0.00 C ATOM 854 C PRO A 56 17.265 -2.987 -0.863 1.00 0.00 C ATOM 855 O PRO A 56 17.178 -3.251 0.337 1.00 0.00 O ATOM 856 CB PRO A 56 18.639 -4.335 -2.488 1.00 0.00 C ATOM 857 CG PRO A 56 18.654 -3.608 -3.790 1.00 0.00 C ATOM 858 CD PRO A 56 17.245 -3.635 -4.306 1.00 0.00 C ATOM 0 HA PRO A 56 16.833 -4.965 -1.384 1.00 0.00 H new ATOM 0 HB2 PRO A 56 19.409 -3.955 -1.817 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.835 -5.398 -2.629 1.00 0.00 H new ATOM 0 HG2 PRO A 56 19.000 -2.583 -3.658 1.00 0.00 H new ATOM 0 HG3 PRO A 56 19.335 -4.086 -4.494 1.00 0.00 H new ATOM 0 HD2 PRO A 56 17.002 -2.726 -4.856 1.00 0.00 H new ATOM 0 HD3 PRO A 56 17.082 -4.472 -4.985 1.00 0.00 H new ATOM 866 N ASP A 57 17.456 -1.750 -1.310 1.00 0.00 N ATOM 867 CA ASP A 57 17.580 -0.621 -0.381 1.00 0.00 C ATOM 868 C ASP A 57 16.231 -0.062 0.039 1.00 0.00 C ATOM 869 O ASP A 57 15.991 0.161 1.227 1.00 0.00 O ATOM 870 CB ASP A 57 18.440 0.495 -0.973 1.00 0.00 C ATOM 871 CG ASP A 57 19.889 0.096 -1.117 1.00 0.00 C ATOM 872 OD1 ASP A 57 20.526 -0.222 -0.093 1.00 0.00 O ATOM 873 OD2 ASP A 57 20.403 0.103 -2.253 1.00 0.00 O ATOM 0 H ASP A 57 17.528 -1.500 -2.296 1.00 0.00 H new ATOM 0 HA ASP A 57 18.070 -1.014 0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 57 18.045 0.774 -1.950 1.00 0.00 H new ATOM 0 HB3 ASP A 57 18.371 1.378 -0.337 1.00 0.00 H new ATOM 878 N ILE A 58 15.376 0.206 -0.941 1.00 0.00 N ATOM 879 CA ILE A 58 14.062 0.800 -0.690 1.00 0.00 C ATOM 880 C ILE A 58 13.248 -0.088 0.255 1.00 0.00 C ATOM 881 O ILE A 58 12.510 0.403 1.104 1.00 0.00 O ATOM 882 CB ILE A 58 13.290 1.037 -2.007 1.00 0.00 C ATOM 883 CG1 ILE A 58 14.157 1.829 -2.990 1.00 0.00 C ATOM 884 CG2 ILE A 58 12.001 1.798 -1.734 1.00 0.00 C ATOM 885 CD1 ILE A 58 13.480 2.110 -4.317 1.00 0.00 C ATOM 0 H ILE A 58 15.569 0.021 -1.925 1.00 0.00 H new ATOM 0 HA ILE A 58 14.218 1.769 -0.216 1.00 0.00 H new ATOM 0 HB ILE A 58 13.045 0.069 -2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 58 14.439 2.776 -2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 58 15.079 1.277 -3.173 1.00 0.00 H new ATOM 0 HG21 ILE A 58 11.467 1.958 -2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.375 1.221 -1.054 1.00 0.00 H new ATOM 0 HG23 ILE A 58 12.236 2.761 -1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 58 14.157 2.674 -4.958 1.00 0.00 H new ATOM 0 HD12 ILE A 58 13.223 1.168 -4.801 1.00 0.00 H new ATOM 0 HD13 ILE A 58 12.573 2.690 -4.147 1.00 0.00 H new ATOM 897 N ARG A 59 13.456 -1.396 0.141 1.00 0.00 N ATOM 898 CA ARG A 59 12.817 -2.382 1.015 1.00 0.00 C ATOM 899 C ARG A 59 12.986 -2.030 2.496 1.00 0.00 C ATOM 900 O ARG A 59 12.141 -2.374 3.314 1.00 0.00 O ATOM 901 CB ARG A 59 13.435 -3.761 0.763 1.00 0.00 C ATOM 902 CG ARG A 59 12.808 -4.894 1.561 1.00 0.00 C ATOM 903 CD ARG A 59 13.561 -6.197 1.342 1.00 0.00 C ATOM 904 NE ARG A 59 12.972 -7.314 2.082 1.00 0.00 N ATOM 905 CZ ARG A 59 13.503 -8.535 2.133 1.00 0.00 C ATOM 906 NH1 ARG A 59 14.667 -8.786 1.541 1.00 0.00 N ATOM 907 NH2 ARG A 59 12.876 -9.499 2.794 1.00 0.00 N ATOM 0 H ARG A 59 14.073 -1.806 -0.560 1.00 0.00 H new ATOM 0 HA ARG A 59 11.752 -2.385 0.784 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.351 -3.993 -0.299 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.499 -3.716 0.997 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.811 -4.642 2.621 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.766 -5.018 1.266 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.569 -6.434 0.278 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.599 -6.069 1.648 1.00 0.00 H new ATOM 0 HE ARG A 59 12.103 -7.148 2.589 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.158 -8.042 1.045 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.069 -9.722 1.583 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.990 -9.304 3.261 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.279 -10.435 2.835 1.00 0.00 H new ATOM 921 N ALA A 60 14.164 -1.526 2.845 1.00 0.00 N ATOM 922 CA ALA A 60 14.540 -1.330 4.243 1.00 0.00 C ATOM 923 C ALA A 60 14.192 0.060 4.806 1.00 0.00 C ATOM 924 O ALA A 60 14.138 0.220 6.017 1.00 0.00 O ATOM 925 CB ALA A 60 16.023 -1.610 4.416 1.00 0.00 C ATOM 0 H ALA A 60 14.880 -1.244 2.176 1.00 0.00 H new ATOM 0 HA ALA A 60 13.944 -2.037 4.820 1.00 0.00 H new ATOM 0 HB1 ALA A 60 16.302 -1.463 5.460 1.00 0.00 H new ATOM 0 HB2 ALA A 60 16.235 -2.639 4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 60 16.598 -0.929 3.788 1.00 0.00 H new ATOM 931 N GLU A 61 14.294 1.096 3.981 1.00 0.00 N ATOM 932 CA GLU A 61 14.350 2.474 4.503 1.00 0.00 C ATOM 933 C GLU A 61 13.005 3.036 4.974 1.00 0.00 C ATOM 934 O GLU A 61 12.871 3.417 6.138 1.00 0.00 O ATOM 935 CB GLU A 61 14.918 3.408 3.435 1.00 0.00 C ATOM 936 CG GLU A 61 16.346 3.078 3.029 1.00 0.00 C ATOM 937 CD GLU A 61 16.849 3.960 1.906 1.00 0.00 C ATOM 938 OE1 GLU A 61 16.295 3.878 0.795 1.00 0.00 O ATOM 939 OE2 GLU A 61 17.795 4.749 2.131 1.00 0.00 O ATOM 0 H GLU A 61 14.340 1.021 2.965 1.00 0.00 H new ATOM 0 HA GLU A 61 14.992 2.423 5.382 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.280 3.366 2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 61 14.883 4.433 3.805 1.00 0.00 H new ATOM 0 HG2 GLU A 61 17.001 3.188 3.894 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.400 2.034 2.719 1.00 0.00 H new ATOM 946 N LEU A 62 12.034 3.149 4.074 1.00 0.00 N ATOM 947 CA LEU A 62 10.745 3.752 4.433 1.00 0.00 C ATOM 948 C LEU A 62 9.893 2.879 5.366 1.00 0.00 C ATOM 949 O LEU A 62 9.142 3.422 6.168 1.00 0.00 O ATOM 950 CB LEU A 62 9.894 4.153 3.221 1.00 0.00 C ATOM 951 CG LEU A 62 9.412 3.008 2.338 1.00 0.00 C ATOM 952 CD1 LEU A 62 8.226 3.444 1.509 1.00 0.00 C ATOM 953 CD2 LEU A 62 10.526 2.552 1.429 1.00 0.00 C ATOM 0 H LEU A 62 12.107 2.838 3.105 1.00 0.00 H new ATOM 0 HA LEU A 62 11.036 4.655 4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.023 4.702 3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.474 4.841 2.606 1.00 0.00 H new ATOM 0 HG LEU A 62 9.109 2.181 2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.894 2.615 0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.414 3.749 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.514 4.283 0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.172 1.734 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.843 3.382 0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.369 2.210 2.030 1.00 0.00 H new ATOM 965 N PRO A 63 9.943 1.530 5.293 1.00 0.00 N ATOM 966 CA PRO A 63 9.119 0.694 6.165 1.00 0.00 C ATOM 967 C PRO A 63 9.371 1.022 7.621 1.00 0.00 C ATOM 968 O PRO A 63 8.437 1.107 8.422 1.00 0.00 O ATOM 969 CB PRO A 63 9.575 -0.731 5.859 1.00 0.00 C ATOM 970 CG PRO A 63 10.881 -0.568 5.179 1.00 0.00 C ATOM 971 CD PRO A 63 10.758 0.700 4.398 1.00 0.00 C ATOM 0 HA PRO A 63 8.053 0.844 5.994 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.674 -1.320 6.771 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.858 -1.248 5.221 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.696 -0.509 5.900 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.094 -1.414 4.526 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.730 1.151 4.195 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.273 0.541 3.435 1.00 0.00 H new ATOM 979 N LYS A 64 10.645 1.253 7.935 1.00 0.00 N ATOM 980 CA LYS A 64 11.055 1.623 9.276 1.00 0.00 C ATOM 981 C LYS A 64 10.301 2.866 9.712 1.00 0.00 C ATOM 982 O LYS A 64 9.883 2.978 10.865 1.00 0.00 O ATOM 983 CB LYS A 64 12.562 1.892 9.346 1.00 0.00 C ATOM 984 CG LYS A 64 13.433 0.787 8.760 1.00 0.00 C ATOM 985 CD LYS A 64 14.878 0.908 9.229 1.00 0.00 C ATOM 986 CE LYS A 64 15.563 2.151 8.683 1.00 0.00 C ATOM 987 NZ LYS A 64 15.797 2.057 7.219 1.00 0.00 N ATOM 0 H LYS A 64 11.413 1.188 7.267 1.00 0.00 H new ATOM 0 HA LYS A 64 10.826 0.791 9.942 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.776 2.822 8.820 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.843 2.043 10.388 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.035 -0.185 9.051 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.397 0.833 7.672 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.903 0.932 10.318 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.434 0.024 8.917 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.950 3.027 8.897 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.515 2.295 9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.574 2.969 6.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.794 1.819 7.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.188 1.316 6.817 1.00 0.00 H new ATOM 1001 N TYR A 65 10.106 3.784 8.769 1.00 0.00 N ATOM 1002 CA TYR A 65 9.374 5.007 9.039 1.00 0.00 C ATOM 1003 C TYR A 65 7.908 4.689 9.332 1.00 0.00 C ATOM 1004 O TYR A 65 7.307 5.314 10.207 1.00 0.00 O ATOM 1005 CB TYR A 65 9.560 6.038 7.881 1.00 0.00 C ATOM 1006 CG TYR A 65 8.360 6.330 6.974 1.00 0.00 C ATOM 1007 CD1 TYR A 65 7.162 6.813 7.491 1.00 0.00 C ATOM 1008 CD2 TYR A 65 8.448 6.173 5.587 1.00 0.00 C ATOM 1009 CE1 TYR A 65 6.092 7.107 6.673 1.00 0.00 C ATOM 1010 CE2 TYR A 65 7.378 6.480 4.764 1.00 0.00 C ATOM 1011 CZ TYR A 65 6.205 6.942 5.316 1.00 0.00 C ATOM 1012 OH TYR A 65 5.142 7.264 4.505 1.00 0.00 O ATOM 0 H TYR A 65 10.447 3.699 7.812 1.00 0.00 H new ATOM 0 HA TYR A 65 9.781 5.481 9.932 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.881 6.981 8.323 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.377 5.687 7.250 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.068 6.961 8.557 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.366 5.806 5.151 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.167 7.466 7.100 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.463 6.358 3.694 1.00 0.00 H new ATOM 0 HH TYR A 65 4.403 6.643 4.673 1.00 0.00 H new ATOM 1022 N ALA A 66 7.290 3.787 8.556 1.00 0.00 N ATOM 1023 CA ALA A 66 5.869 3.542 8.756 1.00 0.00 C ATOM 1024 C ALA A 66 5.600 2.702 10.006 1.00 0.00 C ATOM 1025 O ALA A 66 5.065 3.219 10.988 1.00 0.00 O ATOM 1026 CB ALA A 66 5.314 2.831 7.540 1.00 0.00 C ATOM 0 H ALA A 66 7.734 3.241 7.818 1.00 0.00 H new ATOM 0 HA ALA A 66 5.378 4.505 8.896 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.250 2.644 7.682 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.458 3.454 6.657 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.834 1.883 7.404 1.00 0.00 H new ATOM 1032 N ASN A 67 6.199 1.513 10.063 1.00 0.00 N ATOM 1033 CA ASN A 67 6.270 0.727 11.299 1.00 0.00 C ATOM 1034 C ASN A 67 7.103 -0.526 11.057 1.00 0.00 C ATOM 1035 O ASN A 67 8.030 -0.850 11.799 1.00 0.00 O ATOM 1036 CB ASN A 67 4.881 0.334 11.812 1.00 0.00 C ATOM 1037 CG ASN A 67 4.949 -0.400 13.138 1.00 0.00 C ATOM 1038 OD1 ASN A 67 5.417 0.145 14.137 1.00 0.00 O ATOM 1039 ND2 ASN A 67 4.505 -1.647 13.158 1.00 0.00 N ATOM 0 H ASN A 67 6.646 1.068 9.261 1.00 0.00 H new ATOM 0 HA ASN A 67 6.738 1.349 12.063 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.270 1.230 11.925 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.388 -0.298 11.073 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.544 -2.189 14.021 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.123 -2.066 12.310 1.00 0.00 H new ATOM 1046 N TRP A 68 6.671 -1.245 10.019 1.00 0.00 N ATOM 1047 CA TRP A 68 7.234 -2.530 9.596 1.00 0.00 C ATOM 1048 C TRP A 68 8.735 -2.477 9.337 1.00 0.00 C ATOM 1049 O TRP A 68 9.237 -1.508 8.798 1.00 0.00 O ATOM 1050 CB TRP A 68 6.570 -2.989 8.294 1.00 0.00 C ATOM 1051 CG TRP A 68 5.203 -3.605 8.414 1.00 0.00 C ATOM 1052 CD1 TRP A 68 4.857 -4.835 7.943 1.00 0.00 C ATOM 1053 CD2 TRP A 68 4.005 -3.042 8.976 1.00 0.00 C ATOM 1054 NE1 TRP A 68 3.530 -5.083 8.188 1.00 0.00 N ATOM 1055 CE2 TRP A 68 2.986 -4.004 8.823 1.00 0.00 C ATOM 1056 CE3 TRP A 68 3.687 -1.834 9.600 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 1.685 -3.796 9.270 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 2.392 -1.630 10.043 1.00 0.00 C ATOM 1059 CH2 TRP A 68 1.407 -2.605 9.874 1.00 0.00 C ATOM 0 H TRP A 68 5.895 -0.940 9.431 1.00 0.00 H new ATOM 0 HA TRP A 68 7.046 -3.219 10.419 1.00 0.00 H new ATOM 0 HB2 TRP A 68 6.499 -2.130 7.627 1.00 0.00 H new ATOM 0 HB3 TRP A 68 7.228 -3.712 7.813 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.531 -5.518 7.447 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.031 -5.936 7.936 1.00 0.00 H new ATOM 0 HE3 TRP A 68 4.440 -1.071 9.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 0.923 -4.550 9.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 2.138 -0.699 10.529 1.00 0.00 H new ATOM 0 HH2 TRP A 68 0.405 -2.412 10.229 1.00 0.00 H new ATOM 1070 N PRO A 69 9.442 -3.593 9.567 1.00 0.00 N ATOM 1071 CA PRO A 69 10.849 -3.720 9.181 1.00 0.00 C ATOM 1072 C PRO A 69 10.991 -3.614 7.665 1.00 0.00 C ATOM 1073 O PRO A 69 11.923 -2.994 7.151 1.00 0.00 O ATOM 1074 CB PRO A 69 11.247 -5.125 9.663 1.00 0.00 C ATOM 1075 CG PRO A 69 10.130 -5.579 10.545 1.00 0.00 C ATOM 1076 CD PRO A 69 8.901 -4.868 10.057 1.00 0.00 C ATOM 0 HA PRO A 69 11.477 -2.939 9.610 1.00 0.00 H new ATOM 0 HB2 PRO A 69 11.383 -5.804 8.821 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.191 -5.100 10.208 1.00 0.00 H new ATOM 0 HG2 PRO A 69 10.003 -6.660 10.489 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.333 -5.336 11.588 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.397 -5.425 9.267 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.174 -4.720 10.856 1.00 0.00 H new ATOM 1084 N THR A 70 10.016 -4.195 6.968 1.00 0.00 N ATOM 1085 CA THR A 70 9.942 -4.159 5.516 1.00 0.00 C ATOM 1086 C THR A 70 8.483 -4.010 5.079 1.00 0.00 C ATOM 1087 O THR A 70 7.769 -3.148 5.578 1.00 0.00 O ATOM 1088 CB THR A 70 10.559 -5.430 4.893 1.00 0.00 C ATOM 1089 OG1 THR A 70 9.912 -6.606 5.406 1.00 0.00 O ATOM 1090 CG2 THR A 70 12.051 -5.508 5.182 1.00 0.00 C ATOM 0 H THR A 70 9.250 -4.708 7.404 1.00 0.00 H new ATOM 0 HA THR A 70 10.516 -3.302 5.163 1.00 0.00 H new ATOM 0 HB THR A 70 10.411 -5.377 3.814 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.313 -7.403 5.001 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.462 -6.412 4.733 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.549 -4.635 4.761 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.212 -5.533 6.260 1.00 0.00 H new ATOM 1098 N PHE A 71 8.036 -4.848 4.157 1.00 0.00 N ATOM 1099 CA PHE A 71 6.662 -4.787 3.677 1.00 0.00 C ATOM 1100 C PHE A 71 6.132 -6.225 3.560 1.00 0.00 C ATOM 1101 O PHE A 71 6.789 -7.134 4.066 1.00 0.00 O ATOM 1102 CB PHE A 71 6.618 -4.058 2.320 1.00 0.00 C ATOM 1103 CG PHE A 71 7.277 -2.700 2.303 1.00 0.00 C ATOM 1104 CD1 PHE A 71 8.656 -2.588 2.320 1.00 0.00 C ATOM 1105 CD2 PHE A 71 6.520 -1.539 2.277 1.00 0.00 C ATOM 1106 CE1 PHE A 71 9.263 -1.357 2.310 1.00 0.00 C ATOM 1107 CE2 PHE A 71 7.129 -0.301 2.269 1.00 0.00 C ATOM 1108 CZ PHE A 71 8.498 -0.212 2.287 1.00 0.00 C ATOM 0 H PHE A 71 8.603 -5.578 3.726 1.00 0.00 H new ATOM 0 HA PHE A 71 6.032 -4.229 4.370 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.098 -4.687 1.571 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.576 -3.943 2.020 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.263 -3.481 2.341 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.442 -1.604 2.263 1.00 0.00 H new ATOM 0 HE1 PHE A 71 10.341 -1.286 2.320 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.529 0.597 2.249 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.976 0.756 2.283 1.00 0.00 H new ATOM 1118 N PRO A 72 4.986 -6.510 2.881 1.00 0.00 N ATOM 1119 CA PRO A 72 4.105 -5.524 2.224 1.00 0.00 C ATOM 1120 C PRO A 72 3.416 -4.571 3.197 1.00 0.00 C ATOM 1121 O PRO A 72 3.107 -4.936 4.334 1.00 0.00 O ATOM 1122 CB PRO A 72 3.061 -6.381 1.502 1.00 0.00 C ATOM 1123 CG PRO A 72 3.057 -7.682 2.223 1.00 0.00 C ATOM 1124 CD PRO A 72 4.451 -7.880 2.748 1.00 0.00 C ATOM 0 HA PRO A 72 4.683 -4.875 1.566 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.078 -5.912 1.532 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.319 -6.514 0.451 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.333 -7.672 3.038 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.774 -8.496 1.555 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.446 -8.400 3.706 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.053 -8.478 2.064 1.00 0.00 H new ATOM 1132 N GLN A 73 3.085 -3.382 2.701 1.00 0.00 N ATOM 1133 CA GLN A 73 2.321 -2.405 3.467 1.00 0.00 C ATOM 1134 C GLN A 73 1.339 -1.692 2.547 1.00 0.00 C ATOM 1135 O GLN A 73 1.719 -1.198 1.484 1.00 0.00 O ATOM 1136 CB GLN A 73 3.211 -1.340 4.102 1.00 0.00 C ATOM 1137 CG GLN A 73 4.353 -1.855 4.950 1.00 0.00 C ATOM 1138 CD GLN A 73 5.144 -0.708 5.552 1.00 0.00 C ATOM 1139 OE1 GLN A 73 5.214 -0.661 6.866 1.00 0.00 O flip ATOM 1140 NE2 GLN A 73 5.668 0.142 4.840 1.00 0.00 N flip ATOM 0 H GLN A 73 3.337 -3.071 1.763 1.00 0.00 H new ATOM 0 HA GLN A 73 1.809 -2.954 4.257 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.625 -0.719 3.308 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.587 -0.694 4.720 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.962 -2.489 5.746 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.011 -2.476 4.342 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.593 0.074 3.825 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.178 0.917 5.263 1.00 0.00 H new ATOM 1149 N LEU A 74 0.104 -1.582 2.995 1.00 0.00 N ATOM 1150 CA LEU A 74 -0.923 -0.855 2.266 1.00 0.00 C ATOM 1151 C LEU A 74 -0.991 0.575 2.772 1.00 0.00 C ATOM 1152 O LEU A 74 -0.993 0.808 3.984 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.270 -1.576 2.421 1.00 0.00 C ATOM 1154 CG LEU A 74 -3.494 -0.991 1.678 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -4.006 0.301 2.315 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -3.154 -0.756 0.217 1.00 0.00 C ATOM 0 H LEU A 74 -0.218 -1.992 3.872 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.678 -0.824 1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.138 -2.606 2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.510 -1.612 3.484 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.297 -1.724 1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.865 0.668 1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.302 0.106 3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.216 1.052 2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.022 -0.344 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.323 -0.054 0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.872 -1.701 -0.247 1.00 0.00 H new ATOM 1168 N TRP A 75 -1.134 1.511 1.850 1.00 0.00 N ATOM 1169 CA TRP A 75 -1.307 2.902 2.194 1.00 0.00 C ATOM 1170 C TRP A 75 -2.551 3.451 1.511 1.00 0.00 C ATOM 1171 O TRP A 75 -2.700 3.355 0.297 1.00 0.00 O ATOM 1172 CB TRP A 75 -0.096 3.723 1.765 1.00 0.00 C ATOM 1173 CG TRP A 75 1.188 3.316 2.422 1.00 0.00 C ATOM 1174 CD1 TRP A 75 1.954 2.216 2.158 1.00 0.00 C ATOM 1175 CD2 TRP A 75 1.828 4.002 3.492 1.00 0.00 C ATOM 1176 NE1 TRP A 75 3.059 2.208 2.979 1.00 0.00 N ATOM 1177 CE2 TRP A 75 2.995 3.293 3.812 1.00 0.00 C ATOM 1178 CE3 TRP A 75 1.524 5.159 4.203 1.00 0.00 C ATOM 1179 CZ2 TRP A 75 3.863 3.714 4.812 1.00 0.00 C ATOM 1180 CZ3 TRP A 75 2.383 5.575 5.199 1.00 0.00 C ATOM 1181 CH2 TRP A 75 3.541 4.853 5.495 1.00 0.00 C ATOM 0 H TRP A 75 -1.133 1.324 0.847 1.00 0.00 H new ATOM 0 HA TRP A 75 -1.415 2.974 3.276 1.00 0.00 H new ATOM 0 HB2 TRP A 75 0.020 3.640 0.684 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.287 4.773 1.986 1.00 0.00 H new ATOM 0 HD1 TRP A 75 1.727 1.465 1.416 1.00 0.00 H new ATOM 0 HE1 TRP A 75 3.802 1.510 2.969 1.00 0.00 H new ATOM 0 HE3 TRP A 75 0.630 5.722 3.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 4.761 3.160 5.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 2.157 6.471 5.757 1.00 0.00 H new ATOM 0 HH2 TRP A 75 4.196 5.202 6.280 1.00 0.00 H new ATOM 1192 N VAL A 76 -3.396 4.102 2.272 1.00 0.00 N ATOM 1193 CA VAL A 76 -4.564 4.748 1.705 1.00 0.00 C ATOM 1194 C VAL A 76 -4.586 6.217 2.113 1.00 0.00 C ATOM 1195 O VAL A 76 -4.397 6.526 3.283 1.00 0.00 O ATOM 1196 CB VAL A 76 -5.871 4.021 2.117 1.00 0.00 C ATOM 1197 CG1 VAL A 76 -5.922 3.744 3.607 1.00 0.00 C ATOM 1198 CG2 VAL A 76 -7.087 4.825 1.712 1.00 0.00 C ATOM 0 H VAL A 76 -3.301 4.201 3.283 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.503 4.690 0.618 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.877 3.066 1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.854 3.234 3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.079 3.113 3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.870 4.685 4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.991 4.294 2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.059 5.799 2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.089 4.962 0.631 1.00 0.00 H new ATOM 1208 N ASP A 77 -4.637 7.114 1.114 1.00 0.00 N ATOM 1209 CA ASP A 77 -4.477 8.566 1.341 1.00 0.00 C ATOM 1210 C ASP A 77 -3.086 8.804 1.933 1.00 0.00 C ATOM 1211 O ASP A 77 -2.829 9.717 2.710 1.00 0.00 O ATOM 1212 CB ASP A 77 -5.579 9.057 2.278 1.00 0.00 C ATOM 1213 CG ASP A 77 -5.717 10.578 2.393 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -4.824 11.248 2.944 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -6.747 11.118 1.925 1.00 0.00 O ATOM 0 H ASP A 77 -4.788 6.861 0.137 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.564 9.123 0.408 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.530 8.648 1.938 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.395 8.650 3.272 1.00 0.00 H new ATOM 1220 N GLY A 78 -2.212 7.899 1.568 1.00 0.00 N ATOM 1221 CA GLY A 78 -0.845 7.890 2.051 1.00 0.00 C ATOM 1222 C GLY A 78 -0.742 7.563 3.527 1.00 0.00 C ATOM 1223 O GLY A 78 0.233 7.924 4.186 1.00 0.00 O ATOM 0 H GLY A 78 -2.427 7.140 0.922 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.269 7.161 1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.394 8.865 1.868 1.00 0.00 H new ATOM 1227 N GLU A 79 -1.735 6.845 4.031 1.00 0.00 N ATOM 1228 CA GLU A 79 -1.770 6.415 5.417 1.00 0.00 C ATOM 1229 C GLU A 79 -1.513 4.917 5.519 1.00 0.00 C ATOM 1230 O GLU A 79 -2.120 4.134 4.787 1.00 0.00 O ATOM 1231 CB GLU A 79 -3.126 6.743 5.996 1.00 0.00 C ATOM 1232 CG GLU A 79 -3.450 8.213 5.895 1.00 0.00 C ATOM 1233 CD GLU A 79 -2.650 9.063 6.858 1.00 0.00 C ATOM 1234 OE1 GLU A 79 -2.826 8.903 8.086 1.00 0.00 O ATOM 1235 OE2 GLU A 79 -1.844 9.896 6.398 1.00 0.00 O ATOM 0 H GLU A 79 -2.542 6.544 3.485 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.991 6.935 5.975 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.891 6.168 5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.156 6.437 7.042 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.261 8.552 4.876 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.513 8.359 6.087 1.00 0.00 H new ATOM 1242 N LEU A 80 -0.617 4.518 6.409 1.00 0.00 N ATOM 1243 CA LEU A 80 -0.294 3.110 6.573 1.00 0.00 C ATOM 1244 C LEU A 80 -1.429 2.350 7.247 1.00 0.00 C ATOM 1245 O LEU A 80 -1.781 2.630 8.392 1.00 0.00 O ATOM 1246 CB LEU A 80 0.978 2.945 7.406 1.00 0.00 C ATOM 1247 CG LEU A 80 1.339 1.500 7.740 1.00 0.00 C ATOM 1248 CD1 LEU A 80 1.775 0.743 6.498 1.00 0.00 C ATOM 1249 CD2 LEU A 80 2.410 1.457 8.813 1.00 0.00 C ATOM 0 H LEU A 80 -0.103 5.147 7.026 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.139 2.698 5.576 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.810 3.398 6.867 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.861 3.500 8.337 1.00 0.00 H new ATOM 0 HG LEU A 80 0.448 1.006 8.128 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.026 -0.283 6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.963 0.740 5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.649 1.229 6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.656 0.420 9.040 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.302 1.972 8.457 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.042 1.948 9.714 1.00 0.00 H new ATOM 1261 N VAL A 81 -1.883 1.294 6.595 1.00 0.00 N ATOM 1262 CA VAL A 81 -2.841 0.388 7.200 1.00 0.00 C ATOM 1263 C VAL A 81 -2.148 -0.921 7.589 1.00 0.00 C ATOM 1264 O VAL A 81 -2.247 -1.381 8.725 1.00 0.00 O ATOM 1265 CB VAL A 81 -4.020 0.094 6.238 1.00 0.00 C ATOM 1266 CG1 VAL A 81 -5.016 -0.867 6.866 1.00 0.00 C ATOM 1267 CG2 VAL A 81 -4.725 1.381 5.834 1.00 0.00 C ATOM 0 H VAL A 81 -1.603 1.044 5.647 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.242 0.867 8.093 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.604 -0.374 5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.831 -1.054 6.167 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.516 -1.807 7.100 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.415 -0.430 7.781 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.548 1.148 5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.114 1.877 6.723 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.018 2.040 5.330 1.00 0.00 H new ATOM 1277 N GLY A 82 -1.466 -1.518 6.618 1.00 0.00 N ATOM 1278 CA GLY A 82 -0.785 -2.791 6.825 1.00 0.00 C ATOM 1279 C GLY A 82 -0.922 -3.668 5.595 1.00 0.00 C ATOM 1280 O GLY A 82 -1.949 -3.614 4.937 1.00 0.00 O ATOM 0 H GLY A 82 -1.370 -1.139 5.676 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.269 -2.616 7.040 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.207 -3.300 7.692 1.00 0.00 H new ATOM 1284 N GLY A 83 0.166 -4.286 5.156 1.00 0.00 N ATOM 1285 CA GLY A 83 0.149 -4.924 3.850 1.00 0.00 C ATOM 1286 C GLY A 83 -0.393 -6.343 3.801 1.00 0.00 C ATOM 1287 O GLY A 83 -1.285 -6.623 3.017 1.00 0.00 O ATOM 0 H GLY A 83 1.046 -4.358 5.667 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.445 -4.307 3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.167 -4.933 3.460 1.00 0.00 H new ATOM 1291 N CYS A 84 0.255 -7.278 4.481 1.00 0.00 N ATOM 1292 CA CYS A 84 -0.096 -8.688 4.296 1.00 0.00 C ATOM 1293 C CYS A 84 -1.381 -9.083 5.028 1.00 0.00 C ATOM 1294 O CYS A 84 -2.379 -9.430 4.399 1.00 0.00 O ATOM 1295 CB CYS A 84 1.068 -9.587 4.728 1.00 0.00 C ATOM 1296 SG CYS A 84 1.719 -9.214 6.374 1.00 0.00 S ATOM 0 H CYS A 84 1.006 -7.100 5.148 1.00 0.00 H new ATOM 0 HA CYS A 84 -0.287 -8.830 3.232 1.00 0.00 H new ATOM 0 HB2 CYS A 84 0.738 -10.626 4.707 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.874 -9.494 4.001 1.00 0.00 H new ATOM 0 HG CYS A 84 1.266 -10.084 7.227 1.00 0.00 H new ATOM 1302 N ASP A 85 -1.326 -9.087 6.350 1.00 0.00 N ATOM 1303 CA ASP A 85 -2.457 -9.517 7.170 1.00 0.00 C ATOM 1304 C ASP A 85 -3.516 -8.446 7.247 1.00 0.00 C ATOM 1305 O ASP A 85 -4.712 -8.736 7.242 1.00 0.00 O ATOM 1306 CB ASP A 85 -1.994 -9.869 8.587 1.00 0.00 C ATOM 1307 CG ASP A 85 -1.035 -11.040 8.629 1.00 0.00 C ATOM 1308 OD1 ASP A 85 0.067 -10.943 8.049 1.00 0.00 O ATOM 1309 OD2 ASP A 85 -1.383 -12.069 9.241 1.00 0.00 O ATOM 0 H ASP A 85 -0.507 -8.796 6.885 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.884 -10.401 6.696 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.513 -8.998 9.032 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.865 -10.099 9.200 1.00 0.00 H new ATOM 1314 N ILE A 86 -3.066 -7.223 7.461 1.00 0.00 N ATOM 1315 CA ILE A 86 -3.970 -6.121 7.712 1.00 0.00 C ATOM 1316 C ILE A 86 -4.935 -5.920 6.546 1.00 0.00 C ATOM 1317 O ILE A 86 -6.133 -5.776 6.763 1.00 0.00 O ATOM 1318 CB ILE A 86 -3.214 -4.812 7.987 1.00 0.00 C ATOM 1319 CG1 ILE A 86 -2.210 -4.999 9.133 1.00 0.00 C ATOM 1320 CG2 ILE A 86 -4.209 -3.713 8.327 1.00 0.00 C ATOM 1321 CD1 ILE A 86 -2.842 -5.400 10.448 1.00 0.00 C ATOM 0 H ILE A 86 -2.078 -6.970 7.466 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.540 -6.382 8.604 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.658 -4.528 7.093 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.483 -5.758 8.845 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.660 -4.069 9.275 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.673 -2.784 8.522 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.892 -3.569 7.490 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.776 -3.997 9.213 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.066 -5.512 11.205 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.548 -4.631 10.762 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.368 -6.347 10.325 1.00 0.00 H new ATOM 1333 N VAL A 87 -4.425 -5.959 5.314 1.00 0.00 N ATOM 1334 CA VAL A 87 -5.285 -5.822 4.140 1.00 0.00 C ATOM 1335 C VAL A 87 -6.361 -6.896 4.122 1.00 0.00 C ATOM 1336 O VAL A 87 -7.531 -6.582 3.967 1.00 0.00 O ATOM 1337 CB VAL A 87 -4.495 -5.881 2.812 1.00 0.00 C ATOM 1338 CG1 VAL A 87 -5.437 -5.895 1.615 1.00 0.00 C ATOM 1339 CG2 VAL A 87 -3.558 -4.697 2.703 1.00 0.00 C ATOM 0 H VAL A 87 -3.434 -6.083 5.105 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.745 -4.837 4.219 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.915 -6.804 2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.855 -5.937 0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.087 -6.768 1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.044 -4.990 1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.009 -4.753 1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.135 -3.773 2.732 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.854 -4.712 3.535 1.00 0.00 H new ATOM 1349 N ILE A 88 -5.966 -8.152 4.308 1.00 0.00 N ATOM 1350 CA ILE A 88 -6.929 -9.248 4.327 1.00 0.00 C ATOM 1351 C ILE A 88 -7.948 -9.076 5.445 1.00 0.00 C ATOM 1352 O ILE A 88 -9.148 -9.204 5.215 1.00 0.00 O ATOM 1353 CB ILE A 88 -6.248 -10.626 4.463 1.00 0.00 C ATOM 1354 CG1 ILE A 88 -5.403 -10.922 3.220 1.00 0.00 C ATOM 1355 CG2 ILE A 88 -7.293 -11.719 4.676 1.00 0.00 C ATOM 1356 CD1 ILE A 88 -6.214 -11.001 1.945 1.00 0.00 C ATOM 0 H ILE A 88 -4.996 -8.434 4.446 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.442 -9.214 3.366 1.00 0.00 H new ATOM 0 HB ILE A 88 -5.591 -10.608 5.333 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.645 -10.146 3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.875 -11.865 3.365 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -6.796 -12.684 4.770 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -7.857 -11.511 5.585 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.973 -11.743 3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.552 -11.213 1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.954 -11.796 2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.721 -10.051 1.777 1.00 0.00 H new ATOM 1368 N GLU A 89 -7.481 -8.795 6.653 1.00 0.00 N ATOM 1369 CA GLU A 89 -8.401 -8.631 7.768 1.00 0.00 C ATOM 1370 C GLU A 89 -9.340 -7.456 7.520 1.00 0.00 C ATOM 1371 O GLU A 89 -10.552 -7.621 7.556 1.00 0.00 O ATOM 1372 CB GLU A 89 -7.654 -8.437 9.089 1.00 0.00 C ATOM 1373 CG GLU A 89 -8.578 -8.320 10.295 1.00 0.00 C ATOM 1374 CD GLU A 89 -7.820 -8.176 11.595 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -7.054 -9.098 11.944 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -7.978 -7.140 12.270 1.00 0.00 O ATOM 0 H GLU A 89 -6.494 -8.678 6.883 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.989 -9.546 7.845 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.975 -9.276 9.241 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.040 -7.539 9.022 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.234 -7.459 10.164 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.216 -9.202 10.346 1.00 0.00 H new ATOM 1383 N MET A 90 -8.776 -6.288 7.214 1.00 0.00 N ATOM 1384 CA MET A 90 -9.572 -5.095 6.913 1.00 0.00 C ATOM 1385 C MET A 90 -10.525 -5.343 5.752 1.00 0.00 C ATOM 1386 O MET A 90 -11.681 -4.934 5.795 1.00 0.00 O ATOM 1387 CB MET A 90 -8.667 -3.892 6.633 1.00 0.00 C ATOM 1388 CG MET A 90 -7.858 -3.462 7.841 1.00 0.00 C ATOM 1389 SD MET A 90 -8.899 -3.034 9.245 1.00 0.00 S ATOM 1390 CE MET A 90 -7.655 -2.648 10.471 1.00 0.00 C ATOM 0 H MET A 90 -7.768 -6.141 7.168 1.00 0.00 H new ATOM 0 HA MET A 90 -10.175 -4.868 7.792 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.987 -4.138 5.817 1.00 0.00 H new ATOM 0 HB3 MET A 90 -9.279 -3.055 6.296 1.00 0.00 H new ATOM 0 HG2 MET A 90 -7.180 -4.267 8.126 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.240 -2.604 7.575 1.00 0.00 H new ATOM 0 HE1 MET A 90 -8.140 -2.362 11.404 1.00 0.00 H new ATOM 0 HE2 MET A 90 -7.028 -3.523 10.641 1.00 0.00 H new ATOM 0 HE3 MET A 90 -7.038 -1.823 10.116 1.00 0.00 H new ATOM 1400 N TYR A 91 -10.064 -6.116 4.785 1.00 0.00 N ATOM 1401 CA TYR A 91 -10.887 -6.576 3.671 1.00 0.00 C ATOM 1402 C TYR A 91 -12.118 -7.316 4.172 1.00 0.00 C ATOM 1403 O TYR A 91 -13.245 -6.996 3.795 1.00 0.00 O ATOM 1404 CB TYR A 91 -10.010 -7.497 2.820 1.00 0.00 C ATOM 1405 CG TYR A 91 -10.715 -8.450 1.892 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -11.398 -8.017 0.773 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -10.662 -9.809 2.142 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -12.009 -8.905 -0.076 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -11.269 -10.711 1.307 1.00 0.00 C ATOM 1410 CZ TYR A 91 -11.944 -10.258 0.191 1.00 0.00 C ATOM 1411 OH TYR A 91 -12.553 -11.159 -0.652 1.00 0.00 O ATOM 0 H TYR A 91 -9.100 -6.447 4.747 1.00 0.00 H new ATOM 0 HA TYR A 91 -11.246 -5.730 3.084 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.344 -6.874 2.223 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.382 -8.082 3.492 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.452 -6.959 0.562 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.132 -10.167 3.012 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -12.537 -8.548 -0.948 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -11.220 -11.769 1.521 1.00 0.00 H new ATOM 0 HH TYR A 91 -12.409 -12.069 -0.318 1.00 0.00 H new ATOM 1421 N GLN A 92 -11.893 -8.281 5.044 1.00 0.00 N ATOM 1422 CA GLN A 92 -12.982 -9.046 5.625 1.00 0.00 C ATOM 1423 C GLN A 92 -13.863 -8.152 6.504 1.00 0.00 C ATOM 1424 O GLN A 92 -15.089 -8.207 6.423 1.00 0.00 O ATOM 1425 CB GLN A 92 -12.426 -10.228 6.419 1.00 0.00 C ATOM 1426 CG GLN A 92 -11.561 -11.154 5.575 1.00 0.00 C ATOM 1427 CD GLN A 92 -11.028 -12.336 6.355 1.00 0.00 C ATOM 1428 OE1 GLN A 92 -10.342 -12.172 7.365 1.00 0.00 O ATOM 1429 NE2 GLN A 92 -11.328 -13.537 5.887 1.00 0.00 N ATOM 0 H GLN A 92 -10.965 -8.554 5.366 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.607 -9.437 4.822 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.838 -9.852 7.256 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.254 -10.797 6.841 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.145 -11.517 4.729 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.724 -10.588 5.166 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.899 -13.629 5.047 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.988 -14.371 6.366 1.00 0.00 H new ATOM 1438 N ARG A 93 -13.227 -7.321 7.334 1.00 0.00 N ATOM 1439 CA ARG A 93 -13.932 -6.395 8.216 1.00 0.00 C ATOM 1440 C ARG A 93 -14.784 -5.409 7.418 1.00 0.00 C ATOM 1441 O ARG A 93 -15.808 -4.927 7.896 1.00 0.00 O ATOM 1442 CB ARG A 93 -12.921 -5.613 9.054 1.00 0.00 C ATOM 1443 CG ARG A 93 -11.878 -6.476 9.755 1.00 0.00 C ATOM 1444 CD ARG A 93 -12.491 -7.487 10.704 1.00 0.00 C ATOM 1445 NE ARG A 93 -13.280 -8.518 10.029 1.00 0.00 N ATOM 1446 CZ ARG A 93 -13.932 -9.485 10.669 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -13.830 -9.593 11.988 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -14.692 -10.341 9.993 1.00 0.00 N ATOM 0 H ARG A 93 -12.211 -7.273 7.411 1.00 0.00 H new ATOM 0 HA ARG A 93 -14.588 -6.979 8.862 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.409 -4.899 8.409 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -13.460 -5.035 9.805 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -11.285 -7.001 9.006 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.194 -5.833 10.309 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -11.696 -7.965 11.276 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -13.127 -6.964 11.418 1.00 0.00 H new ATOM 0 HE ARG A 93 -13.333 -8.494 9.011 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -13.252 -8.935 12.510 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -14.330 -10.334 12.479 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -14.777 -10.258 8.980 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -15.190 -11.081 10.487 1.00 0.00 H new ATOM 1462 N GLY A 94 -14.291 -5.040 6.241 1.00 0.00 N ATOM 1463 CA GLY A 94 -14.944 -4.032 5.438 1.00 0.00 C ATOM 1464 C GLY A 94 -14.298 -2.669 5.600 1.00 0.00 C ATOM 1465 O GLY A 94 -14.404 -1.822 4.722 1.00 0.00 O ATOM 0 H GLY A 94 -13.442 -5.427 5.829 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.911 -4.327 4.389 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.996 -3.970 5.718 1.00 0.00 H new ATOM 1469 N GLU A 95 -13.649 -2.446 6.736 1.00 0.00 N ATOM 1470 CA GLU A 95 -13.019 -1.156 7.026 1.00 0.00 C ATOM 1471 C GLU A 95 -12.015 -0.737 5.947 1.00 0.00 C ATOM 1472 O GLU A 95 -11.847 0.447 5.684 1.00 0.00 O ATOM 1473 CB GLU A 95 -12.342 -1.166 8.396 1.00 0.00 C ATOM 1474 CG GLU A 95 -13.306 -1.408 9.545 1.00 0.00 C ATOM 1475 CD GLU A 95 -12.655 -1.225 10.897 1.00 0.00 C ATOM 1476 OE1 GLU A 95 -11.681 -1.941 11.202 1.00 0.00 O ATOM 1477 OE2 GLU A 95 -13.107 -0.349 11.659 1.00 0.00 O ATOM 0 H GLU A 95 -13.543 -3.141 7.475 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.822 -0.419 7.033 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.574 -1.939 8.407 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.837 -0.212 8.550 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.150 -0.724 9.457 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.706 -2.419 9.472 1.00 0.00 H new ATOM 1484 N LEU A 96 -11.353 -1.706 5.332 1.00 0.00 N ATOM 1485 CA LEU A 96 -10.359 -1.424 4.286 1.00 0.00 C ATOM 1486 C LEU A 96 -10.984 -0.629 3.151 1.00 0.00 C ATOM 1487 O LEU A 96 -10.558 0.480 2.842 1.00 0.00 O ATOM 1488 CB LEU A 96 -9.789 -2.725 3.720 1.00 0.00 C ATOM 1489 CG LEU A 96 -8.734 -2.554 2.626 1.00 0.00 C ATOM 1490 CD1 LEU A 96 -7.504 -1.847 3.171 1.00 0.00 C ATOM 1491 CD2 LEU A 96 -8.361 -3.905 2.043 1.00 0.00 C ATOM 0 H LEU A 96 -11.481 -2.698 5.534 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.558 -0.841 4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.351 -3.297 4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.611 -3.319 3.320 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.154 -1.936 1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.766 -1.736 2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.786 -0.863 3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.076 -2.435 3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.609 -3.771 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.959 -4.542 2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.247 -4.373 1.614 1.00 0.00 H new ATOM 1503 N GLN A 97 -12.048 -1.179 2.595 1.00 0.00 N ATOM 1504 CA GLN A 97 -12.812 -0.505 1.547 1.00 0.00 C ATOM 1505 C GLN A 97 -13.487 0.747 2.066 1.00 0.00 C ATOM 1506 O GLN A 97 -13.697 1.686 1.321 1.00 0.00 O ATOM 1507 CB GLN A 97 -13.834 -1.435 0.900 1.00 0.00 C ATOM 1508 CG GLN A 97 -14.691 -2.202 1.884 1.00 0.00 C ATOM 1509 CD GLN A 97 -15.599 -3.190 1.195 1.00 0.00 C ATOM 1510 OE1 GLN A 97 -15.361 -4.467 1.433 1.00 0.00 O flip ATOM 1511 NE2 GLN A 97 -16.490 -2.813 0.437 1.00 0.00 N flip ATOM 0 H GLN A 97 -12.409 -2.098 2.851 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.096 -0.211 0.779 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -14.484 -0.847 0.252 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.308 -2.146 0.263 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.049 -2.731 2.588 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -15.292 -1.501 2.464 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -16.639 -1.816 0.282 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -17.080 -3.497 -0.037 1.00 0.00 H new ATOM 1520 N GLN A 98 -13.763 0.778 3.353 1.00 0.00 N ATOM 1521 CA GLN A 98 -14.339 1.958 3.978 1.00 0.00 C ATOM 1522 C GLN A 98 -13.356 3.114 3.880 1.00 0.00 C ATOM 1523 O GLN A 98 -13.709 4.220 3.463 1.00 0.00 O ATOM 1524 CB GLN A 98 -14.683 1.673 5.443 1.00 0.00 C ATOM 1525 CG GLN A 98 -15.783 0.638 5.634 1.00 0.00 C ATOM 1526 CD GLN A 98 -17.143 1.051 5.084 1.00 0.00 C ATOM 1527 OE1 GLN A 98 -17.296 2.303 4.677 1.00 0.00 O flip ATOM 1528 NE2 GLN A 98 -18.070 0.246 5.063 1.00 0.00 N flip ATOM 0 H GLN A 98 -13.599 -0.001 3.991 1.00 0.00 H new ATOM 0 HA GLN A 98 -15.259 2.225 3.458 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -13.784 1.331 5.956 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -14.988 2.604 5.921 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -15.478 -0.291 5.153 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -15.885 0.427 6.699 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -17.922 -0.711 5.383 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -18.988 0.534 4.726 1.00 0.00 H new ATOM 1537 N LEU A 99 -12.105 2.821 4.209 1.00 0.00 N ATOM 1538 CA LEU A 99 -11.030 3.792 4.113 1.00 0.00 C ATOM 1539 C LEU A 99 -10.756 4.127 2.657 1.00 0.00 C ATOM 1540 O LEU A 99 -10.589 5.293 2.289 1.00 0.00 O ATOM 1541 CB LEU A 99 -9.754 3.218 4.739 1.00 0.00 C ATOM 1542 CG LEU A 99 -9.924 2.596 6.124 1.00 0.00 C ATOM 1543 CD1 LEU A 99 -8.591 2.072 6.640 1.00 0.00 C ATOM 1544 CD2 LEU A 99 -10.519 3.600 7.100 1.00 0.00 C ATOM 0 H LEU A 99 -11.810 1.906 4.549 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.329 4.695 4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.349 2.461 4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.013 4.014 4.806 1.00 0.00 H new ATOM 0 HG LEU A 99 -10.615 1.757 6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.731 1.632 7.628 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.209 1.314 5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.878 2.894 6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -10.630 3.134 8.079 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -9.858 4.463 7.182 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.495 3.924 6.739 1.00 0.00 H new ATOM 1556 N ILE A 100 -10.670 3.083 1.842 1.00 0.00 N ATOM 1557 CA ILE A 100 -10.366 3.233 0.429 1.00 0.00 C ATOM 1558 C ILE A 100 -11.466 4.014 -0.283 1.00 0.00 C ATOM 1559 O ILE A 100 -11.172 4.907 -1.060 1.00 0.00 O ATOM 1560 CB ILE A 100 -10.157 1.861 -0.252 1.00 0.00 C ATOM 1561 CG1 ILE A 100 -8.948 1.134 0.363 1.00 0.00 C ATOM 1562 CG2 ILE A 100 -9.963 2.034 -1.754 1.00 0.00 C ATOM 1563 CD1 ILE A 100 -7.618 1.792 0.071 1.00 0.00 C ATOM 0 H ILE A 100 -10.808 2.118 2.141 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.434 3.794 0.353 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.048 1.255 -0.086 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.083 1.076 1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.925 0.110 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.817 1.058 -2.217 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.845 2.511 -2.182 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -9.088 2.657 -1.938 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.818 1.219 0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.458 1.826 -1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.619 2.806 0.470 1.00 0.00 H new ATOM 1575 N LYS A 101 -12.723 3.712 0.035 1.00 0.00 N ATOM 1576 CA LYS A 101 -13.862 4.426 -0.532 1.00 0.00 C ATOM 1577 C LYS A 101 -13.734 5.915 -0.300 1.00 0.00 C ATOM 1578 O LYS A 101 -13.846 6.721 -1.222 1.00 0.00 O ATOM 1579 CB LYS A 101 -15.159 3.987 0.146 1.00 0.00 C ATOM 1580 CG LYS A 101 -16.362 4.746 -0.373 1.00 0.00 C ATOM 1581 CD LYS A 101 -17.537 4.721 0.595 1.00 0.00 C ATOM 1582 CE LYS A 101 -17.190 5.452 1.886 1.00 0.00 C ATOM 1583 NZ LYS A 101 -18.358 5.611 2.797 1.00 0.00 N ATOM 0 H LYS A 101 -12.978 2.971 0.688 1.00 0.00 H new ATOM 0 HA LYS A 101 -13.880 4.201 -1.598 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.308 2.919 -0.016 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -15.073 4.138 1.222 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -16.078 5.780 -0.566 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -16.673 4.318 -1.326 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -18.406 5.186 0.131 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -17.809 3.689 0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -16.403 4.906 2.406 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -16.789 6.436 1.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -18.061 6.115 3.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -19.102 6.156 2.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -18.727 4.674 3.055 1.00 0.00 H new ATOM 1597 N GLU A 102 -13.594 6.265 0.968 1.00 0.00 N ATOM 1598 CA GLU A 102 -13.561 7.650 1.372 1.00 0.00 C ATOM 1599 C GLU A 102 -12.415 8.358 0.669 1.00 0.00 C ATOM 1600 O GLU A 102 -12.571 9.458 0.146 1.00 0.00 O ATOM 1601 CB GLU A 102 -13.391 7.731 2.887 1.00 0.00 C ATOM 1602 CG GLU A 102 -13.580 9.124 3.440 1.00 0.00 C ATOM 1603 CD GLU A 102 -14.984 9.640 3.218 1.00 0.00 C ATOM 1604 OE1 GLU A 102 -15.936 9.028 3.746 1.00 0.00 O ATOM 1605 OE2 GLU A 102 -15.147 10.651 2.509 1.00 0.00 O ATOM 0 H GLU A 102 -13.501 5.600 1.736 1.00 0.00 H new ATOM 0 HA GLU A 102 -14.495 8.139 1.095 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -14.107 7.060 3.362 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.396 7.375 3.153 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -13.360 9.122 4.507 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -12.867 9.800 2.968 1.00 0.00 H new ATOM 1612 N THR A 103 -11.267 7.702 0.680 1.00 0.00 N ATOM 1613 CA THR A 103 -10.053 8.226 0.083 1.00 0.00 C ATOM 1614 C THR A 103 -10.102 8.271 -1.443 1.00 0.00 C ATOM 1615 O THR A 103 -9.747 9.282 -2.050 1.00 0.00 O ATOM 1616 CB THR A 103 -8.858 7.392 0.532 1.00 0.00 C ATOM 1617 OG1 THR A 103 -8.778 7.410 1.963 1.00 0.00 O ATOM 1618 CG2 THR A 103 -7.579 7.928 -0.057 1.00 0.00 C ATOM 0 H THR A 103 -11.152 6.783 1.107 1.00 0.00 H new ATOM 0 HA THR A 103 -9.953 9.256 0.426 1.00 0.00 H new ATOM 0 HB THR A 103 -8.993 6.369 0.182 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.375 6.726 2.333 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.740 7.317 0.277 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.639 7.898 -1.145 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.431 8.957 0.270 1.00 0.00 H new ATOM 1626 N ALA A 104 -10.496 7.176 -2.067 1.00 0.00 N ATOM 1627 CA ALA A 104 -10.528 7.110 -3.517 1.00 0.00 C ATOM 1628 C ALA A 104 -11.450 8.183 -4.074 1.00 0.00 C ATOM 1629 O ALA A 104 -11.092 8.881 -5.021 1.00 0.00 O ATOM 1630 CB ALA A 104 -10.969 5.732 -3.988 1.00 0.00 C ATOM 0 H ALA A 104 -10.797 6.323 -1.595 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.519 7.288 -3.890 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -10.985 5.708 -5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.271 4.981 -3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -11.967 5.519 -3.606 1.00 0.00 H new ATOM 1636 N ALA A 105 -12.617 8.326 -3.455 1.00 0.00 N ATOM 1637 CA ALA A 105 -13.588 9.333 -3.860 1.00 0.00 C ATOM 1638 C ALA A 105 -13.032 10.749 -3.713 1.00 0.00 C ATOM 1639 O ALA A 105 -13.222 11.589 -4.588 1.00 0.00 O ATOM 1640 CB ALA A 105 -14.866 9.183 -3.047 1.00 0.00 C ATOM 0 H ALA A 105 -12.914 7.752 -2.666 1.00 0.00 H new ATOM 0 HA ALA A 105 -13.810 9.174 -4.915 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -15.586 9.941 -3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -15.288 8.192 -3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -14.640 9.309 -1.988 1.00 0.00 H new ATOM 1646 N LYS A 106 -12.390 11.029 -2.582 1.00 0.00 N ATOM 1647 CA LYS A 106 -11.867 12.367 -2.321 1.00 0.00 C ATOM 1648 C LYS A 106 -10.652 12.691 -3.190 1.00 0.00 C ATOM 1649 O LYS A 106 -10.372 13.864 -3.447 1.00 0.00 O ATOM 1650 CB LYS A 106 -11.611 12.601 -0.815 1.00 0.00 C ATOM 1651 CG LYS A 106 -10.680 11.609 -0.135 1.00 0.00 C ATOM 1652 CD LYS A 106 -9.207 11.924 -0.331 1.00 0.00 C ATOM 1653 CE LYS A 106 -8.806 13.195 0.398 1.00 0.00 C ATOM 1654 NZ LYS A 106 -7.339 13.419 0.328 1.00 0.00 N ATOM 0 H LYS A 106 -12.220 10.353 -1.837 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.641 13.077 -2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.198 13.602 -0.688 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.570 12.583 -0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.900 11.590 0.932 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.884 10.610 -0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.605 11.091 0.031 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.996 12.032 -1.395 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -9.327 14.047 -0.039 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.117 13.132 1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -7.110 14.351 0.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.849 12.679 0.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.030 13.385 -0.664 1.00 0.00 H new ATOM 1668 N TYR A 107 -10.001 11.671 -3.754 1.00 0.00 N ATOM 1669 CA TYR A 107 -8.929 11.941 -4.711 1.00 0.00 C ATOM 1670 C TYR A 107 -9.433 11.982 -6.143 1.00 0.00 C ATOM 1671 O TYR A 107 -9.011 12.826 -6.934 1.00 0.00 O ATOM 1672 CB TYR A 107 -7.794 10.916 -4.641 1.00 0.00 C ATOM 1673 CG TYR A 107 -6.837 11.075 -3.485 1.00 0.00 C ATOM 1674 CD1 TYR A 107 -5.742 11.922 -3.599 1.00 0.00 C ATOM 1675 CD2 TYR A 107 -6.978 10.342 -2.315 1.00 0.00 C ATOM 1676 CE1 TYR A 107 -4.822 12.042 -2.580 1.00 0.00 C ATOM 1677 CE2 TYR A 107 -6.067 10.463 -1.289 1.00 0.00 C ATOM 1678 CZ TYR A 107 -4.989 11.314 -1.426 1.00 0.00 C ATOM 1679 OH TYR A 107 -4.068 11.432 -0.410 1.00 0.00 O ATOM 0 H TYR A 107 -10.188 10.685 -3.573 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.546 12.920 -4.424 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.232 9.919 -4.591 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -7.225 10.968 -5.569 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -5.609 12.497 -4.503 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -7.814 9.667 -2.207 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -3.975 12.704 -2.687 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -6.196 9.894 -0.380 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.165 11.467 -0.789 1.00 0.00 H new ATOM 1689 N LYS A 108 -10.220 10.988 -6.507 1.00 0.00 N ATOM 1690 CA LYS A 108 -10.652 10.817 -7.883 1.00 0.00 C ATOM 1691 C LYS A 108 -12.065 11.322 -8.073 1.00 0.00 C ATOM 1692 O LYS A 108 -12.575 12.085 -7.253 1.00 0.00 O ATOM 1693 CB LYS A 108 -10.542 9.339 -8.245 1.00 0.00 C ATOM 1694 CG LYS A 108 -9.137 8.784 -8.068 1.00 0.00 C ATOM 1695 CD LYS A 108 -9.102 7.301 -8.359 1.00 0.00 C ATOM 1696 CE LYS A 108 -10.043 6.557 -7.433 1.00 0.00 C ATOM 1697 NZ LYS A 108 -10.095 5.101 -7.730 1.00 0.00 N ATOM 0 H LYS A 108 -10.576 10.281 -5.864 1.00 0.00 H new ATOM 0 HA LYS A 108 -10.013 11.402 -8.544 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.233 8.767 -7.626 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -10.853 9.201 -9.280 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -8.449 9.306 -8.734 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -8.795 8.967 -7.049 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -9.385 7.121 -9.396 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.087 6.924 -8.235 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.724 6.704 -6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -11.044 6.979 -7.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -11.058 4.747 -7.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.835 4.940 -8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.428 4.597 -7.112 1.00 0.00 H new ATOM 1711 N SER A 109 -12.759 10.658 -8.967 1.00 0.00 N ATOM 1712 CA SER A 109 -14.194 10.760 -9.048 1.00 0.00 C ATOM 1713 C SER A 109 -14.777 10.183 -7.765 1.00 0.00 C ATOM 1714 O SER A 109 -14.077 9.447 -7.067 1.00 0.00 O ATOM 1715 CB SER A 109 -14.690 10.003 -10.279 1.00 0.00 C ATOM 1716 OG SER A 109 -14.141 8.696 -10.318 1.00 0.00 O ATOM 0 H SER A 109 -12.344 10.033 -9.658 1.00 0.00 H new ATOM 0 HA SER A 109 -14.511 11.798 -9.150 1.00 0.00 H new ATOM 0 HB2 SER A 109 -15.778 9.945 -10.263 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.413 10.546 -11.182 1.00 0.00 H new ATOM 0 HG SER A 109 -14.471 8.226 -11.112 1.00 0.00 H new ATOM 1722 N GLU A 110 -15.981 10.604 -7.398 1.00 0.00 N ATOM 1723 CA GLU A 110 -16.597 10.205 -6.126 1.00 0.00 C ATOM 1724 C GLU A 110 -16.897 8.701 -6.079 1.00 0.00 C ATOM 1725 O GLU A 110 -18.047 8.291 -5.900 1.00 0.00 O ATOM 1726 CB GLU A 110 -17.874 11.013 -5.880 1.00 0.00 C ATOM 1727 CG GLU A 110 -17.632 12.514 -5.820 1.00 0.00 C ATOM 1728 CD GLU A 110 -18.893 13.309 -5.542 1.00 0.00 C ATOM 1729 OE1 GLU A 110 -19.855 13.209 -6.328 1.00 0.00 O ATOM 1730 OE2 GLU A 110 -18.917 14.058 -4.545 1.00 0.00 O ATOM 0 H GLU A 110 -16.558 11.226 -7.964 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.880 10.417 -5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -18.590 10.799 -6.673 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -18.328 10.687 -4.944 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -16.897 12.727 -5.044 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -17.202 12.845 -6.765 1.00 0.00 H new ATOM 1737 N GLU A 111 -15.866 7.892 -6.297 1.00 0.00 N ATOM 1738 CA GLU A 111 -15.998 6.446 -6.339 1.00 0.00 C ATOM 1739 C GLU A 111 -16.413 5.865 -4.987 1.00 0.00 C ATOM 1740 O GLU A 111 -15.754 6.068 -3.969 1.00 0.00 O ATOM 1741 CB GLU A 111 -14.688 5.822 -6.836 1.00 0.00 C ATOM 1742 CG GLU A 111 -14.452 6.084 -8.317 1.00 0.00 C ATOM 1743 CD GLU A 111 -13.277 5.318 -8.899 1.00 0.00 C ATOM 1744 OE1 GLU A 111 -12.594 4.590 -8.157 1.00 0.00 O ATOM 1745 OE2 GLU A 111 -13.038 5.433 -10.122 1.00 0.00 O ATOM 0 H GLU A 111 -14.914 8.225 -6.450 1.00 0.00 H new ATOM 0 HA GLU A 111 -16.797 6.199 -7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.854 6.224 -6.260 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -14.709 4.747 -6.658 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -15.354 5.822 -8.870 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -14.286 7.151 -8.465 1.00 0.00 H new ATOM 1752 N PRO A 112 -17.556 5.164 -4.972 1.00 0.00 N ATOM 1753 CA PRO A 112 -18.121 4.569 -3.773 1.00 0.00 C ATOM 1754 C PRO A 112 -17.642 3.139 -3.520 1.00 0.00 C ATOM 1755 O PRO A 112 -18.438 2.198 -3.568 1.00 0.00 O ATOM 1756 CB PRO A 112 -19.605 4.568 -4.065 1.00 0.00 C ATOM 1757 CG PRO A 112 -19.713 4.419 -5.548 1.00 0.00 C ATOM 1758 CD PRO A 112 -18.423 4.937 -6.138 1.00 0.00 C ATOM 0 HA PRO A 112 -17.829 5.120 -2.879 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -20.107 3.749 -3.549 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -20.073 5.492 -3.727 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -19.870 3.375 -5.820 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -20.565 4.980 -5.931 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -17.983 4.216 -6.827 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -18.584 5.857 -6.700 1.00 0.00 H new ATOM 1766 N ASP A 113 -16.340 2.985 -3.360 1.00 0.00 N ATOM 1767 CA ASP A 113 -15.695 1.667 -3.216 1.00 0.00 C ATOM 1768 C ASP A 113 -16.459 0.758 -2.257 1.00 0.00 C ATOM 1769 O ASP A 113 -16.836 -0.360 -2.604 1.00 0.00 O ATOM 1770 CB ASP A 113 -14.269 1.842 -2.682 1.00 0.00 C ATOM 1771 CG ASP A 113 -13.370 2.633 -3.608 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -13.732 3.776 -3.951 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -12.287 2.125 -3.959 1.00 0.00 O ATOM 0 H ASP A 113 -15.686 3.767 -3.324 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.686 1.204 -4.203 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.311 2.342 -1.714 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -13.829 0.859 -2.514 1.00 0.00 H new