USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 528 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 25 GLN : amide:sc= 0.898 X(o=2.7,f=2.6) USER MOD Set 1.2: A 40 ASN : amide:sc= 0.737 X(o=2.7,f=2.6) USER MOD Set 1.3: A 43 CYS SG : rot 61:sc= 1.09 USER MOD Set 2.1: A 30 LYS NZ :NH3+ 147:sc= 1.03 (180deg=0) USER MOD Set 2.2: A 31 SER OG : rot 74:sc= 1.27 USER MOD Set 3.1: A 23 LYS NZ :NH3+ -173:sc= 1 (180deg=-0.184) USER MOD Set 3.2: A 60 TYR OH : rot 29:sc= -1.09! USER MOD Single : A 5 LYS NZ :NH3+ 170:sc= -0.0181 (180deg=-0.157) USER MOD Single : A 6 GLN : amide:sc= 1.31 K(o=1.3,f=-0.029) USER MOD Single : A 7 LYS NZ :NH3+ -161:sc= 2.32 (180deg=1.34) USER MOD Single : A 11 SER OG : rot 170:sc= 0.00314 USER MOD Single : A 13 ASN : amide:sc= -0.224 K(o=-0.22,f=-1.8) USER MOD Single : A 15 ASN : amide:sc= 2.21 K(o=2.2,f=-0.18) USER MOD Single : A 16 SER OG : rot 72:sc= 1.2 USER MOD Single : A 17 TYR OH : rot -151:sc= 1.25 USER MOD Single : A 20 LYS NZ :NH3+ -168:sc= -0.0149 (180deg=-0.116) USER MOD Single : A 21 SER OG : rot 180:sc= -0.067 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0052 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 38 THR OG1 : rot -160:sc= -0.612 USER MOD Single : A 41 THR OG1 : rot -80:sc= 0.757 USER MOD Single : A 44 LYS NZ :NH3+ 167:sc= -0.0289 (180deg=-0.217) USER MOD Single : A 51 MET CE :methyl -158:sc= -0.232 (180deg=-0.975) USER MOD Single : A 53 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0342) USER MOD Single : A 55 GLN : amide:sc= 0.104 X(o=0.1,f=-0.15) USER MOD Single : A 62 ASN : amide:sc=-0.00088 X(o=-0.00088,f=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -163:sc= -0.0541 (180deg=-0.293) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N LYS A 5 9.363 8.730 5.776 1.00 0.00 N ATOM 71 CA LYS A 5 8.329 7.928 6.419 1.00 0.00 C ATOM 72 C LYS A 5 7.280 7.458 5.416 1.00 0.00 C ATOM 73 O LYS A 5 6.906 6.290 5.417 1.00 0.00 O ATOM 74 CB LYS A 5 7.658 8.715 7.549 1.00 0.00 C ATOM 75 CG LYS A 5 8.556 8.943 8.755 1.00 0.00 C ATOM 76 CD LYS A 5 7.815 9.672 9.865 1.00 0.00 C ATOM 77 CE LYS A 5 8.686 9.864 11.100 1.00 0.00 C ATOM 78 NZ LYS A 5 9.918 10.642 10.802 1.00 0.00 N ATOM 0 HA LYS A 5 8.814 7.047 6.839 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.332 9.681 7.163 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.763 8.181 7.870 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.920 7.985 9.126 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.430 9.522 8.456 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.482 10.644 9.501 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.921 9.109 10.135 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.112 10.377 11.871 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.962 8.890 11.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.393 10.894 11.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.559 10.067 10.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.665 11.510 10.287 1.00 0.00 H new ATOM 92 N GLN A 6 6.820 8.362 4.557 1.00 0.00 N ATOM 93 CA GLN A 6 5.785 8.034 3.577 1.00 0.00 C ATOM 94 C GLN A 6 6.236 6.891 2.672 1.00 0.00 C ATOM 95 O GLN A 6 5.468 5.971 2.377 1.00 0.00 O ATOM 96 CB GLN A 6 5.436 9.261 2.728 1.00 0.00 C ATOM 97 CG GLN A 6 4.358 9.006 1.678 1.00 0.00 C ATOM 98 CD GLN A 6 3.026 8.595 2.276 1.00 0.00 C ATOM 99 OE1 GLN A 6 2.183 9.439 2.579 1.00 0.00 O ATOM 100 NE2 GLN A 6 2.826 7.295 2.457 1.00 0.00 N ATOM 0 H GLN A 6 7.146 9.328 4.518 1.00 0.00 H new ATOM 0 HA GLN A 6 4.897 7.718 4.124 1.00 0.00 H new ATOM 0 HB2 GLN A 6 5.104 10.063 3.387 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.339 9.613 2.228 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.219 9.909 1.083 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.700 8.226 0.998 1.00 0.00 H new ATOM 0 HE21 GLN A 6 3.549 6.626 2.193 1.00 0.00 H new ATOM 0 HE22 GLN A 6 1.949 6.965 2.860 1.00 0.00 H new ATOM 109 N LYS A 7 7.487 6.961 2.243 1.00 0.00 N ATOM 110 CA LYS A 7 8.070 5.942 1.385 1.00 0.00 C ATOM 111 C LYS A 7 8.207 4.616 2.131 1.00 0.00 C ATOM 112 O LYS A 7 7.998 3.545 1.560 1.00 0.00 O ATOM 113 CB LYS A 7 9.427 6.429 0.879 1.00 0.00 C ATOM 114 CG LYS A 7 10.034 5.568 -0.215 1.00 0.00 C ATOM 115 CD LYS A 7 11.045 6.356 -1.036 1.00 0.00 C ATOM 116 CE LYS A 7 12.166 6.917 -0.177 1.00 0.00 C ATOM 117 NZ LYS A 7 13.089 5.854 0.291 1.00 0.00 N ATOM 0 H LYS A 7 8.124 7.722 2.479 1.00 0.00 H new ATOM 0 HA LYS A 7 7.412 5.769 0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.318 7.447 0.505 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.121 6.471 1.719 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.520 4.699 0.229 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.245 5.193 -0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.467 5.711 -1.806 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.537 7.173 -1.548 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.725 7.658 -0.748 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.740 7.433 0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.631 6.200 1.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.540 5.015 0.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.744 5.600 -0.476 1.00 0.00 H new ATOM 131 N ALA A 8 8.530 4.701 3.416 1.00 0.00 N ATOM 132 CA ALA A 8 8.662 3.514 4.256 1.00 0.00 C ATOM 133 C ALA A 8 7.292 2.909 4.573 1.00 0.00 C ATOM 134 O ALA A 8 7.159 1.695 4.738 1.00 0.00 O ATOM 135 CB ALA A 8 9.407 3.856 5.539 1.00 0.00 C ATOM 0 H ALA A 8 8.706 5.581 3.901 1.00 0.00 H new ATOM 0 HA ALA A 8 9.237 2.769 3.706 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.498 2.962 6.156 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.401 4.231 5.294 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.856 4.620 6.087 1.00 0.00 H new ATOM 141 N ILE A 9 6.277 3.761 4.669 1.00 0.00 N ATOM 142 CA ILE A 9 4.907 3.298 4.854 1.00 0.00 C ATOM 143 C ILE A 9 4.442 2.548 3.612 1.00 0.00 C ATOM 144 O ILE A 9 3.826 1.490 3.710 1.00 0.00 O ATOM 145 CB ILE A 9 3.935 4.467 5.143 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.284 5.137 6.472 1.00 0.00 C ATOM 147 CG2 ILE A 9 2.490 3.980 5.157 1.00 0.00 C ATOM 148 CD1 ILE A 9 3.451 6.365 6.775 1.00 0.00 C ATOM 0 H ILE A 9 6.377 4.775 4.622 1.00 0.00 H new ATOM 0 HA ILE A 9 4.900 2.634 5.718 1.00 0.00 H new ATOM 0 HB ILE A 9 4.040 5.202 4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.155 4.414 7.278 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.337 5.418 6.461 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.825 4.819 5.362 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.242 3.549 4.187 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.369 3.223 5.932 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.757 6.785 7.733 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.598 7.107 5.990 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.398 6.088 6.819 1.00 0.00 H new ATOM 160 N PHE A 10 4.774 3.097 2.449 1.00 0.00 N ATOM 161 CA PHE A 10 4.396 2.501 1.174 1.00 0.00 C ATOM 162 C PHE A 10 4.933 1.074 1.056 1.00 0.00 C ATOM 163 O PHE A 10 4.195 0.150 0.705 1.00 0.00 O ATOM 164 CB PHE A 10 4.920 3.364 0.019 1.00 0.00 C ATOM 165 CG PHE A 10 4.519 2.877 -1.348 1.00 0.00 C ATOM 166 CD1 PHE A 10 3.250 3.135 -1.843 1.00 0.00 C ATOM 167 CD2 PHE A 10 5.412 2.172 -2.140 1.00 0.00 C ATOM 168 CE1 PHE A 10 2.877 2.695 -3.100 1.00 0.00 C ATOM 169 CE2 PHE A 10 5.047 1.728 -3.399 1.00 0.00 C ATOM 170 CZ PHE A 10 3.776 1.990 -3.880 1.00 0.00 C ATOM 0 H PHE A 10 5.309 3.961 2.364 1.00 0.00 H new ATOM 0 HA PHE A 10 3.308 2.457 1.123 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.558 4.384 0.149 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.008 3.402 0.074 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.544 3.686 -1.240 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.406 1.967 -1.770 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.885 2.902 -3.472 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.752 1.178 -4.005 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.487 1.645 -4.862 1.00 0.00 H new ATOM 180 N SER A 11 6.210 0.897 1.370 1.00 0.00 N ATOM 181 CA SER A 11 6.840 -0.412 1.293 1.00 0.00 C ATOM 182 C SER A 11 6.266 -1.361 2.343 1.00 0.00 C ATOM 183 O SER A 11 5.922 -2.502 2.033 1.00 0.00 O ATOM 184 CB SER A 11 8.356 -0.281 1.458 1.00 0.00 C ATOM 185 OG SER A 11 8.682 0.524 2.578 1.00 0.00 O ATOM 0 H SER A 11 6.829 1.645 1.681 1.00 0.00 H new ATOM 0 HA SER A 11 6.630 -0.834 0.310 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.798 -1.270 1.577 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.786 0.155 0.556 1.00 0.00 H new ATOM 0 HG SER A 11 9.643 0.461 2.757 1.00 0.00 H new ATOM 191 N GLU A 12 6.154 -0.880 3.578 1.00 0.00 N ATOM 192 CA GLU A 12 5.596 -1.679 4.672 1.00 0.00 C ATOM 193 C GLU A 12 4.179 -2.137 4.326 1.00 0.00 C ATOM 194 O GLU A 12 3.798 -3.285 4.571 1.00 0.00 O ATOM 195 CB GLU A 12 5.585 -0.858 5.971 1.00 0.00 C ATOM 196 CG GLU A 12 5.223 -1.664 7.209 1.00 0.00 C ATOM 197 CD GLU A 12 6.249 -2.735 7.519 1.00 0.00 C ATOM 198 OE1 GLU A 12 7.237 -2.431 8.216 1.00 0.00 O ATOM 199 OE2 GLU A 12 6.075 -3.881 7.066 1.00 0.00 O ATOM 0 H GLU A 12 6.442 0.060 3.849 1.00 0.00 H new ATOM 0 HA GLU A 12 6.221 -2.560 4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.569 -0.412 6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.876 -0.037 5.864 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.133 -0.993 8.063 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.248 -2.129 7.065 1.00 0.00 H new ATOM 206 N ASN A 13 3.418 -1.228 3.743 1.00 0.00 N ATOM 207 CA ASN A 13 2.049 -1.499 3.331 1.00 0.00 C ATOM 208 C ASN A 13 2.026 -2.572 2.248 1.00 0.00 C ATOM 209 O ASN A 13 1.319 -3.576 2.360 1.00 0.00 O ATOM 210 CB ASN A 13 1.423 -0.210 2.799 1.00 0.00 C ATOM 211 CG ASN A 13 -0.091 -0.230 2.776 1.00 0.00 C ATOM 212 OD1 ASN A 13 -0.722 -1.273 2.597 1.00 0.00 O ATOM 213 ND2 ASN A 13 -0.684 0.936 2.965 1.00 0.00 N ATOM 0 H ASN A 13 3.731 -0.279 3.541 1.00 0.00 H new ATOM 0 HA ASN A 13 1.479 -1.859 4.187 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.757 0.626 3.414 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.790 -0.029 1.789 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.702 0.996 2.966 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.123 1.776 3.110 1.00 0.00 H new ATOM 220 N LEU A 14 2.829 -2.354 1.211 1.00 0.00 N ATOM 221 CA LEU A 14 2.913 -3.270 0.078 1.00 0.00 C ATOM 222 C LEU A 14 3.328 -4.673 0.526 1.00 0.00 C ATOM 223 O LEU A 14 2.697 -5.664 0.151 1.00 0.00 O ATOM 224 CB LEU A 14 3.911 -2.730 -0.953 1.00 0.00 C ATOM 225 CG LEU A 14 4.000 -3.522 -2.260 1.00 0.00 C ATOM 226 CD1 LEU A 14 2.674 -3.469 -3.006 1.00 0.00 C ATOM 227 CD2 LEU A 14 5.124 -2.985 -3.132 1.00 0.00 C ATOM 0 H LEU A 14 3.438 -1.540 1.132 1.00 0.00 H new ATOM 0 HA LEU A 14 1.924 -3.342 -0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.641 -1.701 -1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.900 -2.703 -0.496 1.00 0.00 H new ATOM 0 HG LEU A 14 4.218 -4.562 -2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.755 -4.037 -3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.889 -3.899 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.427 -2.433 -3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.173 -3.560 -4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.935 -1.937 -3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.071 -3.073 -2.600 1.00 0.00 H new ATOM 239 N ASN A 15 4.376 -4.751 1.343 1.00 0.00 N ATOM 240 CA ASN A 15 4.890 -6.037 1.824 1.00 0.00 C ATOM 241 C ASN A 15 3.825 -6.821 2.589 1.00 0.00 C ATOM 242 O ASN A 15 3.801 -8.051 2.541 1.00 0.00 O ATOM 243 CB ASN A 15 6.116 -5.835 2.723 1.00 0.00 C ATOM 244 CG ASN A 15 7.411 -5.658 1.946 1.00 0.00 C ATOM 245 OD1 ASN A 15 8.125 -6.623 1.669 1.00 0.00 O ATOM 246 ND2 ASN A 15 7.726 -4.424 1.601 1.00 0.00 N ATOM 0 H ASN A 15 4.888 -3.939 1.688 1.00 0.00 H new ATOM 0 HA ASN A 15 5.178 -6.612 0.944 1.00 0.00 H new ATOM 0 HB2 ASN A 15 5.956 -4.960 3.352 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.215 -6.692 3.389 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.588 -4.243 1.086 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.108 -3.652 1.849 1.00 0.00 H new ATOM 253 N SER A 16 2.943 -6.104 3.284 1.00 0.00 N ATOM 254 CA SER A 16 1.877 -6.734 4.055 1.00 0.00 C ATOM 255 C SER A 16 0.989 -7.594 3.154 1.00 0.00 C ATOM 256 O SER A 16 0.556 -8.678 3.547 1.00 0.00 O ATOM 257 CB SER A 16 1.041 -5.665 4.765 1.00 0.00 C ATOM 258 OG SER A 16 1.852 -4.858 5.609 1.00 0.00 O ATOM 0 H SER A 16 2.947 -5.085 3.328 1.00 0.00 H new ATOM 0 HA SER A 16 2.330 -7.384 4.804 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.543 -5.038 4.026 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.259 -6.143 5.355 1.00 0.00 H new ATOM 0 HG SER A 16 2.410 -4.268 5.060 1.00 0.00 H new ATOM 264 N TYR A 17 0.746 -7.113 1.937 1.00 0.00 N ATOM 265 CA TYR A 17 -0.053 -7.851 0.967 1.00 0.00 C ATOM 266 C TYR A 17 0.744 -8.999 0.365 1.00 0.00 C ATOM 267 O TYR A 17 0.259 -10.124 0.276 1.00 0.00 O ATOM 268 CB TYR A 17 -0.536 -6.931 -0.156 1.00 0.00 C ATOM 269 CG TYR A 17 -1.708 -6.052 0.214 1.00 0.00 C ATOM 270 CD1 TYR A 17 -2.996 -6.570 0.250 1.00 0.00 C ATOM 271 CD2 TYR A 17 -1.532 -4.706 0.509 1.00 0.00 C ATOM 272 CE1 TYR A 17 -4.077 -5.775 0.574 1.00 0.00 C ATOM 273 CE2 TYR A 17 -2.611 -3.904 0.832 1.00 0.00 C ATOM 274 CZ TYR A 17 -3.881 -4.443 0.861 1.00 0.00 C ATOM 275 OH TYR A 17 -4.962 -3.647 1.179 1.00 0.00 O ATOM 0 H TYR A 17 1.092 -6.214 1.601 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.916 -8.254 1.497 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.293 -6.297 -0.470 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.813 -7.542 -1.015 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.155 -7.613 0.020 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.540 -4.281 0.486 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -5.071 -6.196 0.602 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.460 -2.859 1.061 1.00 0.00 H new ATOM 0 HH TYR A 17 -4.778 -2.723 0.910 1.00 0.00 H new ATOM 285 N ILE A 18 1.976 -8.705 -0.034 1.00 0.00 N ATOM 286 CA ILE A 18 2.816 -9.674 -0.732 1.00 0.00 C ATOM 287 C ILE A 18 3.078 -10.915 0.126 1.00 0.00 C ATOM 288 O ILE A 18 3.038 -12.043 -0.364 1.00 0.00 O ATOM 289 CB ILE A 18 4.166 -9.039 -1.138 1.00 0.00 C ATOM 290 CG1 ILE A 18 3.931 -7.737 -1.908 1.00 0.00 C ATOM 291 CG2 ILE A 18 4.976 -10.009 -1.985 1.00 0.00 C ATOM 292 CD1 ILE A 18 5.199 -6.949 -2.164 1.00 0.00 C ATOM 0 H ILE A 18 2.418 -7.798 0.115 1.00 0.00 H new ATOM 0 HA ILE A 18 2.275 -9.979 -1.628 1.00 0.00 H new ATOM 0 HB ILE A 18 4.728 -8.814 -0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.458 -7.969 -2.862 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.232 -7.115 -1.349 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.923 -9.546 -2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.169 -10.917 -1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.417 -10.259 -2.887 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.957 -6.039 -2.714 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.662 -6.686 -1.213 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.891 -7.554 -2.750 1.00 0.00 H new ATOM 304 N ALA A 19 3.317 -10.698 1.411 1.00 0.00 N ATOM 305 CA ALA A 19 3.662 -11.783 2.320 1.00 0.00 C ATOM 306 C ALA A 19 2.433 -12.584 2.738 1.00 0.00 C ATOM 307 O ALA A 19 2.561 -13.670 3.312 1.00 0.00 O ATOM 308 CB ALA A 19 4.372 -11.233 3.545 1.00 0.00 C ATOM 0 H ALA A 19 3.278 -9.778 1.849 1.00 0.00 H new ATOM 0 HA ALA A 19 4.331 -12.460 1.789 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.625 -12.053 4.217 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.284 -10.721 3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.717 -10.530 4.060 1.00 0.00 H new ATOM 314 N LYS A 20 1.245 -12.058 2.460 1.00 0.00 N ATOM 315 CA LYS A 20 0.017 -12.756 2.818 1.00 0.00 C ATOM 316 C LYS A 20 -0.614 -13.389 1.583 1.00 0.00 C ATOM 317 O LYS A 20 -1.455 -14.290 1.685 1.00 0.00 O ATOM 318 CB LYS A 20 -0.975 -11.806 3.491 1.00 0.00 C ATOM 319 CG LYS A 20 -1.674 -12.431 4.683 1.00 0.00 C ATOM 320 CD LYS A 20 -2.710 -11.498 5.287 1.00 0.00 C ATOM 321 CE LYS A 20 -3.255 -12.050 6.595 1.00 0.00 C ATOM 322 NZ LYS A 20 -3.807 -13.421 6.440 1.00 0.00 N ATOM 0 H LYS A 20 1.107 -11.161 1.994 1.00 0.00 H new ATOM 0 HA LYS A 20 0.270 -13.544 3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.448 -10.908 3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.722 -11.492 2.762 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.157 -13.359 4.375 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.935 -12.692 5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.263 -10.519 5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.528 -11.354 4.581 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.460 -12.062 7.341 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.034 -11.387 6.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.345 -13.677 7.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.436 -13.451 5.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.027 -14.096 6.307 1.00 0.00 H new ATOM 336 N SER A 21 -0.195 -12.921 0.420 1.00 0.00 N ATOM 337 CA SER A 21 -0.684 -13.440 -0.845 1.00 0.00 C ATOM 338 C SER A 21 0.086 -14.701 -1.227 1.00 0.00 C ATOM 339 O SER A 21 1.103 -15.031 -0.613 1.00 0.00 O ATOM 340 CB SER A 21 -0.541 -12.371 -1.939 1.00 0.00 C ATOM 341 OG SER A 21 -1.132 -12.787 -3.161 1.00 0.00 O ATOM 0 H SER A 21 0.492 -12.173 0.326 1.00 0.00 H new ATOM 0 HA SER A 21 -1.738 -13.696 -0.742 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.009 -11.445 -1.606 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.515 -12.155 -2.101 1.00 0.00 H new ATOM 0 HG SER A 21 -1.024 -12.082 -3.833 1.00 0.00 H new ATOM 347 N GLU A 22 -0.414 -15.408 -2.230 1.00 0.00 N ATOM 348 CA GLU A 22 0.237 -16.612 -2.729 1.00 0.00 C ATOM 349 C GLU A 22 1.217 -16.260 -3.843 1.00 0.00 C ATOM 350 O GLU A 22 1.921 -17.123 -4.367 1.00 0.00 O ATOM 351 CB GLU A 22 -0.807 -17.594 -3.263 1.00 0.00 C ATOM 352 CG GLU A 22 -1.900 -17.944 -2.266 1.00 0.00 C ATOM 353 CD GLU A 22 -1.366 -18.636 -1.031 1.00 0.00 C ATOM 354 OE1 GLU A 22 -1.114 -19.856 -1.093 1.00 0.00 O ATOM 355 OE2 GLU A 22 -1.200 -17.966 0.013 1.00 0.00 O ATOM 0 H GLU A 22 -1.276 -15.166 -2.718 1.00 0.00 H new ATOM 0 HA GLU A 22 0.781 -17.076 -1.906 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.267 -17.169 -4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.304 -18.511 -3.570 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.421 -17.033 -1.970 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.634 -18.589 -2.750 1.00 0.00 H new ATOM 362 N LYS A 23 1.249 -14.986 -4.204 1.00 0.00 N ATOM 363 CA LYS A 23 2.078 -14.520 -5.303 1.00 0.00 C ATOM 364 C LYS A 23 3.491 -14.192 -4.840 1.00 0.00 C ATOM 365 O LYS A 23 3.709 -13.779 -3.700 1.00 0.00 O ATOM 366 CB LYS A 23 1.452 -13.287 -5.951 1.00 0.00 C ATOM 367 CG LYS A 23 0.726 -13.571 -7.254 1.00 0.00 C ATOM 368 CD LYS A 23 -0.417 -14.553 -7.074 1.00 0.00 C ATOM 369 CE LYS A 23 -1.238 -14.683 -8.348 1.00 0.00 C ATOM 370 NZ LYS A 23 -1.953 -13.419 -8.683 1.00 0.00 N ATOM 0 H LYS A 23 0.706 -14.253 -3.748 1.00 0.00 H new ATOM 0 HA LYS A 23 2.138 -15.327 -6.034 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.751 -12.837 -5.248 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.234 -12.551 -6.137 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.339 -12.638 -7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.433 -13.969 -7.982 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.021 -15.529 -6.793 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.059 -14.222 -6.257 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.583 -14.959 -9.175 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.962 -15.489 -8.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.591 -13.584 -9.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.506 -13.105 -7.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.261 -12.685 -8.935 1.00 0.00 H new ATOM 384 N THR A 24 4.442 -14.379 -5.737 1.00 0.00 N ATOM 385 CA THR A 24 5.826 -14.035 -5.478 1.00 0.00 C ATOM 386 C THR A 24 6.158 -12.675 -6.085 1.00 0.00 C ATOM 387 O THR A 24 5.392 -12.149 -6.896 1.00 0.00 O ATOM 388 CB THR A 24 6.769 -15.100 -6.063 1.00 0.00 C ATOM 389 OG1 THR A 24 6.402 -15.379 -7.422 1.00 0.00 O ATOM 390 CG2 THR A 24 6.726 -16.377 -5.234 1.00 0.00 C ATOM 0 H THR A 24 4.276 -14.773 -6.663 1.00 0.00 H new ATOM 0 HA THR A 24 5.966 -13.992 -4.398 1.00 0.00 H new ATOM 0 HB THR A 24 7.788 -14.713 -6.038 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.006 -16.056 -7.791 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.401 -17.115 -5.667 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.036 -16.158 -4.212 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.711 -16.773 -5.228 1.00 0.00 H new ATOM 398 N GLN A 25 7.303 -12.122 -5.707 1.00 0.00 N ATOM 399 CA GLN A 25 7.759 -10.845 -6.242 1.00 0.00 C ATOM 400 C GLN A 25 7.928 -10.935 -7.749 1.00 0.00 C ATOM 401 O GLN A 25 7.678 -9.975 -8.479 1.00 0.00 O ATOM 402 CB GLN A 25 9.090 -10.458 -5.600 1.00 0.00 C ATOM 403 CG GLN A 25 8.980 -10.105 -4.125 1.00 0.00 C ATOM 404 CD GLN A 25 10.316 -9.728 -3.519 1.00 0.00 C ATOM 405 OE1 GLN A 25 11.040 -10.579 -3.003 1.00 0.00 O ATOM 406 NE2 GLN A 25 10.640 -8.447 -3.554 1.00 0.00 N ATOM 0 H GLN A 25 7.937 -12.541 -5.027 1.00 0.00 H new ATOM 0 HA GLN A 25 7.012 -10.085 -6.014 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.792 -11.284 -5.715 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.508 -9.607 -6.138 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.283 -9.276 -4.004 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.564 -10.953 -3.581 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.011 -7.774 -3.992 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.519 -8.132 -3.143 1.00 0.00 H new ATOM 415 N LEU A 26 8.334 -12.112 -8.201 1.00 0.00 N ATOM 416 CA LEU A 26 8.561 -12.368 -9.611 1.00 0.00 C ATOM 417 C LEU A 26 7.253 -12.348 -10.397 1.00 0.00 C ATOM 418 O LEU A 26 7.192 -11.809 -11.506 1.00 0.00 O ATOM 419 CB LEU A 26 9.252 -13.716 -9.772 1.00 0.00 C ATOM 420 CG LEU A 26 10.736 -13.649 -10.133 1.00 0.00 C ATOM 421 CD1 LEU A 26 11.364 -15.028 -10.059 1.00 0.00 C ATOM 422 CD2 LEU A 26 10.919 -13.055 -11.521 1.00 0.00 C ATOM 0 H LEU A 26 8.515 -12.915 -7.599 1.00 0.00 H new ATOM 0 HA LEU A 26 9.197 -11.578 -10.010 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.146 -14.274 -8.842 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.732 -14.283 -10.544 1.00 0.00 H new ATOM 0 HG LEU A 26 11.237 -13.003 -9.412 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.420 -14.961 -10.319 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.264 -15.420 -9.047 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.860 -15.695 -10.758 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.981 -13.014 -11.762 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.404 -13.676 -12.254 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.503 -12.048 -11.543 1.00 0.00 H new ATOM 434 N GLU A 27 6.214 -12.943 -9.819 1.00 0.00 N ATOM 435 CA GLU A 27 4.900 -12.973 -10.429 1.00 0.00 C ATOM 436 C GLU A 27 4.350 -11.557 -10.588 1.00 0.00 C ATOM 437 O GLU A 27 3.919 -11.162 -11.674 1.00 0.00 O ATOM 438 CB GLU A 27 3.972 -13.795 -9.540 1.00 0.00 C ATOM 439 CG GLU A 27 2.880 -14.537 -10.281 1.00 0.00 C ATOM 440 CD GLU A 27 1.935 -13.624 -11.043 1.00 0.00 C ATOM 441 OE1 GLU A 27 1.370 -12.695 -10.435 1.00 0.00 O ATOM 442 OE2 GLU A 27 1.747 -13.843 -12.256 1.00 0.00 O ATOM 0 H GLU A 27 6.265 -13.415 -8.916 1.00 0.00 H new ATOM 0 HA GLU A 27 4.968 -13.423 -11.419 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.570 -14.517 -8.983 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.510 -13.132 -8.809 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.338 -15.237 -10.980 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.305 -15.128 -9.568 1.00 0.00 H new ATOM 449 N ILE A 28 4.384 -10.798 -9.500 1.00 0.00 N ATOM 450 CA ILE A 28 3.846 -9.447 -9.488 1.00 0.00 C ATOM 451 C ILE A 28 4.616 -8.547 -10.452 1.00 0.00 C ATOM 452 O ILE A 28 4.015 -7.795 -11.217 1.00 0.00 O ATOM 453 CB ILE A 28 3.879 -8.844 -8.070 1.00 0.00 C ATOM 454 CG1 ILE A 28 3.163 -9.776 -7.084 1.00 0.00 C ATOM 455 CG2 ILE A 28 3.229 -7.464 -8.067 1.00 0.00 C ATOM 456 CD1 ILE A 28 3.235 -9.318 -5.643 1.00 0.00 C ATOM 0 H ILE A 28 4.781 -11.099 -8.610 1.00 0.00 H new ATOM 0 HA ILE A 28 2.807 -9.507 -9.813 1.00 0.00 H new ATOM 0 HB ILE A 28 4.918 -8.737 -7.757 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.116 -9.862 -7.376 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.598 -10.773 -7.160 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.259 -7.050 -7.059 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.770 -6.805 -8.746 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.192 -7.549 -8.393 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.706 -10.029 -5.008 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.278 -9.260 -5.331 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.773 -8.335 -5.550 1.00 0.00 H new ATOM 468 N ALA A 29 5.944 -8.646 -10.426 1.00 0.00 N ATOM 469 CA ALA A 29 6.793 -7.855 -11.315 1.00 0.00 C ATOM 470 C ALA A 29 6.432 -8.098 -12.778 1.00 0.00 C ATOM 471 O ALA A 29 6.357 -7.157 -13.576 1.00 0.00 O ATOM 472 CB ALA A 29 8.258 -8.175 -11.072 1.00 0.00 C ATOM 0 H ALA A 29 6.456 -9.267 -9.799 1.00 0.00 H new ATOM 0 HA ALA A 29 6.623 -6.801 -11.095 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.877 -7.578 -11.742 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.514 -7.944 -10.038 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.435 -9.234 -11.261 1.00 0.00 H new ATOM 478 N LYS A 30 6.191 -9.361 -13.116 1.00 0.00 N ATOM 479 CA LYS A 30 5.789 -9.743 -14.465 1.00 0.00 C ATOM 480 C LYS A 30 4.479 -9.062 -14.845 1.00 0.00 C ATOM 481 O LYS A 30 4.330 -8.538 -15.949 1.00 0.00 O ATOM 482 CB LYS A 30 5.648 -11.276 -14.543 1.00 0.00 C ATOM 483 CG LYS A 30 5.210 -11.820 -15.904 1.00 0.00 C ATOM 484 CD LYS A 30 3.697 -11.763 -16.094 1.00 0.00 C ATOM 485 CE LYS A 30 2.963 -12.663 -15.109 1.00 0.00 C ATOM 486 NZ LYS A 30 1.493 -12.440 -15.138 1.00 0.00 N ATOM 0 H LYS A 30 6.268 -10.144 -12.467 1.00 0.00 H new ATOM 0 HA LYS A 30 6.553 -9.420 -15.172 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.605 -11.727 -14.280 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.927 -11.597 -13.792 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.694 -11.247 -16.694 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.548 -12.851 -16.006 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.355 -10.736 -15.970 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.448 -12.062 -17.112 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.176 -13.706 -15.343 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.338 -12.479 -14.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.002 -13.336 -14.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.234 -11.738 -14.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.213 -12.090 -16.076 1.00 0.00 H new ATOM 500 N SER A 31 3.538 -9.061 -13.915 1.00 0.00 N ATOM 501 CA SER A 31 2.202 -8.544 -14.172 1.00 0.00 C ATOM 502 C SER A 31 2.183 -7.014 -14.210 1.00 0.00 C ATOM 503 O SER A 31 1.251 -6.405 -14.735 1.00 0.00 O ATOM 504 CB SER A 31 1.243 -9.080 -13.112 1.00 0.00 C ATOM 505 OG SER A 31 1.297 -10.500 -13.063 1.00 0.00 O ATOM 0 H SER A 31 3.676 -9.415 -12.968 1.00 0.00 H new ATOM 0 HA SER A 31 1.880 -8.885 -15.156 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.502 -8.667 -12.137 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.227 -8.756 -13.336 1.00 0.00 H new ATOM 0 HG SER A 31 2.127 -10.781 -12.624 1.00 0.00 H new ATOM 511 N ILE A 32 3.211 -6.392 -13.648 1.00 0.00 N ATOM 512 CA ILE A 32 3.345 -4.943 -13.720 1.00 0.00 C ATOM 513 C ILE A 32 4.084 -4.552 -14.996 1.00 0.00 C ATOM 514 O ILE A 32 3.678 -3.633 -15.709 1.00 0.00 O ATOM 515 CB ILE A 32 4.092 -4.370 -12.496 1.00 0.00 C ATOM 516 CG1 ILE A 32 3.361 -4.734 -11.204 1.00 0.00 C ATOM 517 CG2 ILE A 32 4.246 -2.859 -12.608 1.00 0.00 C ATOM 518 CD1 ILE A 32 1.929 -4.235 -11.134 1.00 0.00 C ATOM 0 H ILE A 32 3.959 -6.864 -13.141 1.00 0.00 H new ATOM 0 HA ILE A 32 2.340 -4.522 -13.726 1.00 0.00 H new ATOM 0 HB ILE A 32 5.088 -4.813 -12.472 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.361 -5.818 -11.093 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.917 -4.327 -10.359 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.775 -2.481 -11.733 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.812 -2.617 -13.507 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.261 -2.396 -12.664 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.485 -4.537 -10.186 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.918 -3.148 -11.210 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.354 -4.662 -11.956 1.00 0.00 H new ATOM 530 N GLY A 33 5.164 -5.268 -15.288 1.00 0.00 N ATOM 531 CA GLY A 33 5.947 -4.980 -16.472 1.00 0.00 C ATOM 532 C GLY A 33 7.364 -4.560 -16.129 1.00 0.00 C ATOM 533 O GLY A 33 7.995 -3.807 -16.874 1.00 0.00 O ATOM 0 H GLY A 33 5.511 -6.044 -14.724 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.975 -5.862 -17.111 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.462 -4.188 -17.043 1.00 0.00 H new ATOM 537 N VAL A 34 7.864 -5.050 -15.000 1.00 0.00 N ATOM 538 CA VAL A 34 9.197 -4.698 -14.531 1.00 0.00 C ATOM 539 C VAL A 34 9.977 -5.945 -14.140 1.00 0.00 C ATOM 540 O VAL A 34 9.448 -7.058 -14.179 1.00 0.00 O ATOM 541 CB VAL A 34 9.138 -3.741 -13.318 1.00 0.00 C ATOM 542 CG1 VAL A 34 8.557 -2.394 -13.718 1.00 0.00 C ATOM 543 CG2 VAL A 34 8.331 -4.353 -12.180 1.00 0.00 C ATOM 0 H VAL A 34 7.362 -5.696 -14.390 1.00 0.00 H new ATOM 0 HA VAL A 34 9.702 -4.192 -15.354 1.00 0.00 H new ATOM 0 HB VAL A 34 10.158 -3.584 -12.967 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.526 -1.738 -12.848 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.181 -1.943 -14.490 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.547 -2.533 -14.104 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.305 -3.660 -11.339 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.314 -4.550 -12.520 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.796 -5.287 -11.866 1.00 0.00 H new ATOM 553 N SER A 35 11.230 -5.756 -13.760 1.00 0.00 N ATOM 554 CA SER A 35 12.058 -6.850 -13.289 1.00 0.00 C ATOM 555 C SER A 35 11.801 -7.091 -11.800 1.00 0.00 C ATOM 556 O SER A 35 11.341 -6.189 -11.098 1.00 0.00 O ATOM 557 CB SER A 35 13.533 -6.522 -13.532 1.00 0.00 C ATOM 558 OG SER A 35 13.763 -6.192 -14.890 1.00 0.00 O ATOM 0 H SER A 35 11.697 -4.849 -13.769 1.00 0.00 H new ATOM 0 HA SER A 35 11.806 -7.758 -13.837 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.834 -5.689 -12.896 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.150 -7.376 -13.252 1.00 0.00 H new ATOM 0 HG SER A 35 14.712 -5.985 -15.020 1.00 0.00 H new ATOM 564 N PRO A 36 12.077 -8.307 -11.296 1.00 0.00 N ATOM 565 CA PRO A 36 11.879 -8.639 -9.881 1.00 0.00 C ATOM 566 C PRO A 36 12.649 -7.694 -8.965 1.00 0.00 C ATOM 567 O PRO A 36 12.189 -7.352 -7.878 1.00 0.00 O ATOM 568 CB PRO A 36 12.411 -10.075 -9.760 1.00 0.00 C ATOM 569 CG PRO A 36 13.223 -10.300 -10.994 1.00 0.00 C ATOM 570 CD PRO A 36 12.592 -9.454 -12.060 1.00 0.00 C ATOM 0 HA PRO A 36 10.836 -8.545 -9.579 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.018 -10.195 -8.863 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.594 -10.793 -9.691 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.263 -10.016 -10.834 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.220 -11.352 -11.277 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.316 -9.146 -12.815 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.795 -9.985 -12.580 1.00 0.00 H new ATOM 578 N GLN A 37 13.810 -7.250 -9.430 1.00 0.00 N ATOM 579 CA GLN A 37 14.638 -6.323 -8.674 1.00 0.00 C ATOM 580 C GLN A 37 14.050 -4.916 -8.687 1.00 0.00 C ATOM 581 O GLN A 37 14.249 -4.141 -7.750 1.00 0.00 O ATOM 582 CB GLN A 37 16.054 -6.306 -9.239 1.00 0.00 C ATOM 583 CG GLN A 37 16.847 -7.564 -8.918 1.00 0.00 C ATOM 584 CD GLN A 37 18.259 -7.529 -9.461 1.00 0.00 C ATOM 585 OE1 GLN A 37 18.855 -6.460 -9.615 1.00 0.00 O ATOM 586 NE2 GLN A 37 18.816 -8.697 -9.724 1.00 0.00 N ATOM 0 H GLN A 37 14.200 -7.520 -10.333 1.00 0.00 H new ATOM 0 HA GLN A 37 14.668 -6.664 -7.639 1.00 0.00 H new ATOM 0 HB2 GLN A 37 16.004 -6.183 -10.321 1.00 0.00 H new ATOM 0 HB3 GLN A 37 16.585 -5.440 -8.844 1.00 0.00 H new ATOM 0 HG2 GLN A 37 16.883 -7.698 -7.837 1.00 0.00 H new ATOM 0 HG3 GLN A 37 16.327 -8.429 -9.329 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.287 -9.558 -9.582 1.00 0.00 H new ATOM 0 HE22 GLN A 37 19.775 -8.739 -10.069 1.00 0.00 H new ATOM 595 N THR A 38 13.308 -4.594 -9.738 1.00 0.00 N ATOM 596 CA THR A 38 12.666 -3.294 -9.848 1.00 0.00 C ATOM 597 C THR A 38 11.530 -3.233 -8.845 1.00 0.00 C ATOM 598 O THR A 38 11.288 -2.220 -8.195 1.00 0.00 O ATOM 599 CB THR A 38 12.104 -3.070 -11.265 1.00 0.00 C ATOM 600 OG1 THR A 38 12.991 -3.649 -12.234 1.00 0.00 O ATOM 601 CG2 THR A 38 11.928 -1.586 -11.549 1.00 0.00 C ATOM 0 H THR A 38 13.136 -5.217 -10.527 1.00 0.00 H new ATOM 0 HA THR A 38 13.403 -2.517 -9.648 1.00 0.00 H new ATOM 0 HB THR A 38 11.128 -3.551 -11.330 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.821 -3.250 -13.113 1.00 0.00 H new ATOM 0 HG21 THR A 38 11.530 -1.453 -12.555 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.235 -1.157 -10.825 1.00 0.00 H new ATOM 0 HG23 THR A 38 12.892 -1.084 -11.471 1.00 0.00 H new ATOM 609 N PHE A 39 10.862 -4.362 -8.713 1.00 0.00 N ATOM 610 CA PHE A 39 9.785 -4.522 -7.761 1.00 0.00 C ATOM 611 C PHE A 39 10.334 -4.565 -6.336 1.00 0.00 C ATOM 612 O PHE A 39 9.767 -3.975 -5.417 1.00 0.00 O ATOM 613 CB PHE A 39 9.040 -5.813 -8.089 1.00 0.00 C ATOM 614 CG PHE A 39 7.836 -6.062 -7.226 1.00 0.00 C ATOM 615 CD1 PHE A 39 6.768 -5.180 -7.224 1.00 0.00 C ATOM 616 CD2 PHE A 39 7.775 -7.183 -6.413 1.00 0.00 C ATOM 617 CE1 PHE A 39 5.665 -5.411 -6.426 1.00 0.00 C ATOM 618 CE2 PHE A 39 6.675 -7.418 -5.614 1.00 0.00 C ATOM 619 CZ PHE A 39 5.620 -6.531 -5.620 1.00 0.00 C ATOM 0 H PHE A 39 11.053 -5.197 -9.267 1.00 0.00 H new ATOM 0 HA PHE A 39 9.102 -3.675 -7.827 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.726 -5.784 -9.132 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.727 -6.653 -7.986 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.798 -4.303 -7.853 1.00 0.00 H new ATOM 0 HD2 PHE A 39 8.599 -7.881 -6.405 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.838 -4.716 -6.432 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.641 -8.295 -4.985 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.758 -6.712 -4.994 1.00 0.00 H new ATOM 629 N ASN A 40 11.455 -5.255 -6.171 1.00 0.00 N ATOM 630 CA ASN A 40 12.067 -5.464 -4.859 1.00 0.00 C ATOM 631 C ASN A 40 12.620 -4.167 -4.275 1.00 0.00 C ATOM 632 O ASN A 40 12.604 -3.976 -3.063 1.00 0.00 O ATOM 633 CB ASN A 40 13.169 -6.525 -4.965 1.00 0.00 C ATOM 634 CG ASN A 40 13.835 -6.820 -3.638 1.00 0.00 C ATOM 635 OD1 ASN A 40 13.294 -7.555 -2.809 1.00 0.00 O ATOM 636 ND2 ASN A 40 15.028 -6.283 -3.440 1.00 0.00 N ATOM 0 H ASN A 40 11.968 -5.686 -6.940 1.00 0.00 H new ATOM 0 HA ASN A 40 11.293 -5.816 -4.177 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.743 -7.445 -5.364 1.00 0.00 H new ATOM 0 HB3 ASN A 40 13.923 -6.188 -5.677 1.00 0.00 H new ATOM 0 HD21 ASN A 40 15.535 -6.472 -2.576 1.00 0.00 H new ATOM 0 HD22 ASN A 40 15.440 -5.680 -4.152 1.00 0.00 H new ATOM 643 N THR A 41 13.099 -3.270 -5.127 1.00 0.00 N ATOM 644 CA THR A 41 13.583 -1.976 -4.661 1.00 0.00 C ATOM 645 C THR A 41 12.429 -1.132 -4.117 1.00 0.00 C ATOM 646 O THR A 41 12.599 -0.372 -3.160 1.00 0.00 O ATOM 647 CB THR A 41 14.333 -1.215 -5.775 1.00 0.00 C ATOM 648 OG1 THR A 41 13.693 -1.428 -7.039 1.00 0.00 O ATOM 649 CG2 THR A 41 15.784 -1.663 -5.854 1.00 0.00 C ATOM 0 H THR A 41 13.163 -3.412 -6.135 1.00 0.00 H new ATOM 0 HA THR A 41 14.291 -2.161 -3.853 1.00 0.00 H new ATOM 0 HB THR A 41 14.308 -0.152 -5.534 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.969 -2.295 -7.403 1.00 0.00 H new ATOM 0 HG21 THR A 41 16.292 -1.113 -6.646 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.278 -1.467 -4.902 1.00 0.00 H new ATOM 0 HG23 THR A 41 15.824 -2.731 -6.071 1.00 0.00 H new ATOM 657 N TRP A 42 11.254 -1.288 -4.719 1.00 0.00 N ATOM 658 CA TRP A 42 10.038 -0.677 -4.190 1.00 0.00 C ATOM 659 C TRP A 42 9.636 -1.377 -2.896 1.00 0.00 C ATOM 660 O TRP A 42 9.190 -0.745 -1.944 1.00 0.00 O ATOM 661 CB TRP A 42 8.890 -0.774 -5.199 1.00 0.00 C ATOM 662 CG TRP A 42 9.172 -0.121 -6.518 1.00 0.00 C ATOM 663 CD1 TRP A 42 9.996 0.942 -6.755 1.00 0.00 C ATOM 664 CD2 TRP A 42 8.603 -0.478 -7.784 1.00 0.00 C ATOM 665 NE1 TRP A 42 9.984 1.260 -8.090 1.00 0.00 N ATOM 666 CE2 TRP A 42 9.137 0.402 -8.743 1.00 0.00 C ATOM 667 CE3 TRP A 42 7.699 -1.463 -8.202 1.00 0.00 C ATOM 668 CZ2 TRP A 42 8.790 0.335 -10.089 1.00 0.00 C ATOM 669 CZ3 TRP A 42 7.359 -1.530 -9.539 1.00 0.00 C ATOM 670 CH2 TRP A 42 7.904 -0.636 -10.470 1.00 0.00 C ATOM 0 H TRP A 42 11.117 -1.831 -5.572 1.00 0.00 H new ATOM 0 HA TRP A 42 10.240 0.377 -3.997 1.00 0.00 H new ATOM 0 HB2 TRP A 42 8.659 -1.826 -5.369 1.00 0.00 H new ATOM 0 HB3 TRP A 42 8.000 -0.319 -4.764 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.573 1.457 -6.002 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.518 2.012 -8.525 1.00 0.00 H new ATOM 0 HE3 TRP A 42 7.275 -2.158 -7.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.206 1.025 -10.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.661 -2.284 -9.872 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.619 -0.715 -11.509 1.00 0.00 H new ATOM 681 N CYS A 43 9.812 -2.693 -2.882 1.00 0.00 N ATOM 682 CA CYS A 43 9.535 -3.510 -1.714 1.00 0.00 C ATOM 683 C CYS A 43 10.432 -3.121 -0.541 1.00 0.00 C ATOM 684 O CYS A 43 10.039 -3.236 0.620 1.00 0.00 O ATOM 685 CB CYS A 43 9.743 -4.982 -2.075 1.00 0.00 C ATOM 686 SG CYS A 43 8.567 -5.619 -3.289 1.00 0.00 S ATOM 0 H CYS A 43 10.152 -3.222 -3.685 1.00 0.00 H new ATOM 0 HA CYS A 43 8.502 -3.346 -1.406 1.00 0.00 H new ATOM 0 HB2 CYS A 43 10.754 -5.110 -2.463 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.671 -5.581 -1.167 1.00 0.00 H new ATOM 0 HG CYS A 43 8.689 -4.956 -4.401 1.00 0.00 H new ATOM 692 N LYS A 44 11.636 -2.668 -0.852 1.00 0.00 N ATOM 693 CA LYS A 44 12.571 -2.220 0.158 1.00 0.00 C ATOM 694 C LYS A 44 12.320 -0.765 0.534 1.00 0.00 C ATOM 695 O LYS A 44 12.979 -0.224 1.424 1.00 0.00 O ATOM 696 CB LYS A 44 13.997 -2.376 -0.353 1.00 0.00 C ATOM 697 CG LYS A 44 14.466 -3.817 -0.442 1.00 0.00 C ATOM 698 CD LYS A 44 15.969 -3.898 -0.650 1.00 0.00 C ATOM 699 CE LYS A 44 16.726 -3.302 0.529 1.00 0.00 C ATOM 700 NZ LYS A 44 16.456 -4.043 1.790 1.00 0.00 N ATOM 0 H LYS A 44 11.988 -2.602 -1.807 1.00 0.00 H new ATOM 0 HA LYS A 44 12.429 -2.834 1.047 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.071 -1.919 -1.340 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.670 -1.825 0.304 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.194 -4.347 0.471 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.956 -4.317 -1.265 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.264 -4.939 -0.785 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.240 -3.369 -1.564 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.796 -3.318 0.320 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.441 -2.257 0.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.144 -3.756 2.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.494 -3.826 2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.541 -5.065 1.617 1.00 0.00 H new ATOM 714 N GLY A 45 11.371 -0.139 -0.150 1.00 0.00 N ATOM 715 CA GLY A 45 11.064 1.255 0.105 1.00 0.00 C ATOM 716 C GLY A 45 12.226 2.175 -0.212 1.00 0.00 C ATOM 717 O GLY A 45 12.374 3.232 0.402 1.00 0.00 O ATOM 0 H GLY A 45 10.806 -0.574 -0.880 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.200 1.548 -0.492 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.784 1.376 1.152 1.00 0.00 H new ATOM 721 N ILE A 46 13.053 1.772 -1.171 1.00 0.00 N ATOM 722 CA ILE A 46 14.209 2.563 -1.567 1.00 0.00 C ATOM 723 C ILE A 46 13.762 3.786 -2.352 1.00 0.00 C ATOM 724 O ILE A 46 14.151 4.912 -2.042 1.00 0.00 O ATOM 725 CB ILE A 46 15.207 1.739 -2.410 1.00 0.00 C ATOM 726 CG1 ILE A 46 15.730 0.554 -1.596 1.00 0.00 C ATOM 727 CG2 ILE A 46 16.363 2.616 -2.877 1.00 0.00 C ATOM 728 CD1 ILE A 46 16.667 -0.350 -2.368 1.00 0.00 C ATOM 0 H ILE A 46 12.942 0.900 -1.688 1.00 0.00 H new ATOM 0 HA ILE A 46 14.719 2.877 -0.656 1.00 0.00 H new ATOM 0 HB ILE A 46 14.689 1.358 -3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.248 0.931 -0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 46 14.883 -0.033 -1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 46 17.056 2.019 -3.469 1.00 0.00 H new ATOM 0 HG22 ILE A 46 15.977 3.434 -3.485 1.00 0.00 H new ATOM 0 HG23 ILE A 46 16.884 3.023 -2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 46 16.996 -1.167 -1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 46 16.147 -0.757 -3.235 1.00 0.00 H new ATOM 0 HD13 ILE A 46 17.533 0.222 -2.700 1.00 0.00 H new ATOM 740 N ALA A 47 12.916 3.560 -3.340 1.00 0.00 N ATOM 741 CA ALA A 47 12.387 4.636 -4.160 1.00 0.00 C ATOM 742 C ALA A 47 10.921 4.383 -4.470 1.00 0.00 C ATOM 743 O ALA A 47 10.456 3.245 -4.409 1.00 0.00 O ATOM 744 CB ALA A 47 13.190 4.765 -5.448 1.00 0.00 C ATOM 0 H ALA A 47 12.578 2.632 -3.596 1.00 0.00 H new ATOM 0 HA ALA A 47 12.471 5.572 -3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.782 5.575 -6.052 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.231 4.981 -5.208 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.133 3.831 -6.007 1.00 0.00 H new ATOM 750 N ILE A 48 10.197 5.447 -4.777 1.00 0.00 N ATOM 751 CA ILE A 48 8.804 5.333 -5.175 1.00 0.00 C ATOM 752 C ILE A 48 8.701 5.426 -6.691 1.00 0.00 C ATOM 753 O ILE A 48 9.270 6.334 -7.302 1.00 0.00 O ATOM 754 CB ILE A 48 7.925 6.430 -4.515 1.00 0.00 C ATOM 755 CG1 ILE A 48 7.898 6.243 -2.998 1.00 0.00 C ATOM 756 CG2 ILE A 48 6.506 6.404 -5.073 1.00 0.00 C ATOM 757 CD1 ILE A 48 7.196 7.362 -2.255 1.00 0.00 C ATOM 0 H ILE A 48 10.553 6.403 -4.758 1.00 0.00 H new ATOM 0 HA ILE A 48 8.433 4.366 -4.836 1.00 0.00 H new ATOM 0 HB ILE A 48 8.364 7.401 -4.746 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.403 5.300 -2.767 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.922 6.164 -2.633 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.912 7.182 -4.594 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.535 6.580 -6.148 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.056 5.431 -4.877 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.218 7.158 -1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.703 8.306 -2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.161 7.428 -2.590 1.00 0.00 H new ATOM 769 N PRO A 49 8.003 4.474 -7.324 1.00 0.00 N ATOM 770 CA PRO A 49 7.828 4.458 -8.779 1.00 0.00 C ATOM 771 C PRO A 49 7.022 5.655 -9.272 1.00 0.00 C ATOM 772 O PRO A 49 6.441 6.400 -8.476 1.00 0.00 O ATOM 773 CB PRO A 49 7.069 3.152 -9.037 1.00 0.00 C ATOM 774 CG PRO A 49 6.394 2.845 -7.744 1.00 0.00 C ATOM 775 CD PRO A 49 7.329 3.339 -6.675 1.00 0.00 C ATOM 0 HA PRO A 49 8.780 4.517 -9.306 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.345 3.267 -9.844 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.748 2.351 -9.330 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.426 3.342 -7.679 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.211 1.775 -7.641 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.791 3.648 -5.779 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.038 2.569 -6.371 1.00 0.00 H new ATOM 783 N ARG A 50 6.996 5.848 -10.578 1.00 0.00 N ATOM 784 CA ARG A 50 6.260 6.952 -11.160 1.00 0.00 C ATOM 785 C ARG A 50 4.760 6.642 -11.145 1.00 0.00 C ATOM 786 O ARG A 50 4.363 5.478 -11.038 1.00 0.00 O ATOM 787 CB ARG A 50 6.776 7.242 -12.575 1.00 0.00 C ATOM 788 CG ARG A 50 6.285 8.560 -13.153 1.00 0.00 C ATOM 789 CD ARG A 50 7.346 9.216 -14.025 1.00 0.00 C ATOM 790 NE ARG A 50 8.505 9.641 -13.237 1.00 0.00 N ATOM 791 CZ ARG A 50 9.385 10.563 -13.629 1.00 0.00 C ATOM 792 NH1 ARG A 50 9.270 11.138 -14.823 1.00 0.00 N ATOM 793 NH2 ARG A 50 10.389 10.905 -12.828 1.00 0.00 N ATOM 0 H ARG A 50 7.476 5.254 -11.254 1.00 0.00 H new ATOM 0 HA ARG A 50 6.417 7.853 -10.566 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.866 7.247 -12.560 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.470 6.431 -13.236 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.384 8.387 -13.742 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.011 9.235 -12.342 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.667 8.516 -14.797 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.916 10.078 -14.535 1.00 0.00 H new ATOM 0 HE ARG A 50 8.649 9.202 -12.327 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.505 10.874 -15.445 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.946 11.843 -15.117 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.486 10.462 -11.914 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.063 11.610 -13.127 1.00 0.00 H new ATOM 807 N MET A 51 3.946 7.692 -11.261 1.00 0.00 N ATOM 808 CA MET A 51 2.499 7.625 -11.019 1.00 0.00 C ATOM 809 C MET A 51 1.809 6.484 -11.771 1.00 0.00 C ATOM 810 O MET A 51 0.944 5.807 -11.212 1.00 0.00 O ATOM 811 CB MET A 51 1.854 8.960 -11.400 1.00 0.00 C ATOM 812 CG MET A 51 0.357 9.021 -11.146 1.00 0.00 C ATOM 813 SD MET A 51 -0.353 10.624 -11.574 1.00 0.00 S ATOM 814 CE MET A 51 0.583 11.704 -10.489 1.00 0.00 C ATOM 0 H MET A 51 4.272 8.621 -11.527 1.00 0.00 H new ATOM 0 HA MET A 51 2.366 7.423 -9.956 1.00 0.00 H new ATOM 0 HB2 MET A 51 2.340 9.759 -10.839 1.00 0.00 H new ATOM 0 HB3 MET A 51 2.041 9.153 -12.456 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.138 8.242 -11.725 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.161 8.810 -10.095 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.031 12.631 -10.334 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.739 11.210 -9.530 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.548 11.928 -10.943 1.00 0.00 H new ATOM 824 N GLY A 52 2.188 6.275 -13.022 1.00 0.00 N ATOM 825 CA GLY A 52 1.549 5.253 -13.835 1.00 0.00 C ATOM 826 C GLY A 52 1.692 3.860 -13.253 1.00 0.00 C ATOM 827 O GLY A 52 0.714 3.118 -13.144 1.00 0.00 O ATOM 0 H GLY A 52 2.929 6.795 -13.493 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.490 5.490 -13.941 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.981 5.269 -14.836 1.00 0.00 H new ATOM 831 N LYS A 53 2.905 3.508 -12.858 1.00 0.00 N ATOM 832 CA LYS A 53 3.173 2.182 -12.323 1.00 0.00 C ATOM 833 C LYS A 53 2.676 2.045 -10.888 1.00 0.00 C ATOM 834 O LYS A 53 2.430 0.937 -10.417 1.00 0.00 O ATOM 835 CB LYS A 53 4.661 1.852 -12.435 1.00 0.00 C ATOM 836 CG LYS A 53 5.064 1.414 -13.836 1.00 0.00 C ATOM 837 CD LYS A 53 6.567 1.230 -13.964 1.00 0.00 C ATOM 838 CE LYS A 53 6.939 0.544 -15.273 1.00 0.00 C ATOM 839 NZ LYS A 53 6.456 1.284 -16.475 1.00 0.00 N ATOM 0 H LYS A 53 3.719 4.121 -12.898 1.00 0.00 H new ATOM 0 HA LYS A 53 2.619 1.458 -12.921 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.245 2.727 -12.151 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.907 1.061 -11.727 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.562 0.478 -14.082 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.727 2.156 -14.559 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.059 2.201 -13.909 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.934 0.639 -13.125 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.023 0.440 -15.328 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.522 -0.463 -15.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.823 0.828 -17.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.416 1.273 -16.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.791 2.268 -16.435 1.00 0.00 H new ATOM 853 N VAL A 54 2.515 3.169 -10.199 1.00 0.00 N ATOM 854 CA VAL A 54 1.908 3.160 -8.870 1.00 0.00 C ATOM 855 C VAL A 54 0.450 2.724 -8.974 1.00 0.00 C ATOM 856 O VAL A 54 -0.033 1.916 -8.174 1.00 0.00 O ATOM 857 CB VAL A 54 1.974 4.549 -8.193 1.00 0.00 C ATOM 858 CG1 VAL A 54 1.266 4.529 -6.844 1.00 0.00 C ATOM 859 CG2 VAL A 54 3.414 5.001 -8.027 1.00 0.00 C ATOM 0 H VAL A 54 2.793 4.092 -10.534 1.00 0.00 H new ATOM 0 HA VAL A 54 2.473 2.458 -8.257 1.00 0.00 H new ATOM 0 HB VAL A 54 1.462 5.261 -8.840 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.326 5.517 -6.387 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.220 4.258 -6.986 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.745 3.798 -6.192 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.435 5.980 -7.549 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.952 4.283 -7.408 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.890 5.065 -9.005 1.00 0.00 H new ATOM 869 N GLN A 55 -0.241 3.247 -9.981 1.00 0.00 N ATOM 870 CA GLN A 55 -1.629 2.882 -10.226 1.00 0.00 C ATOM 871 C GLN A 55 -1.720 1.420 -10.651 1.00 0.00 C ATOM 872 O GLN A 55 -2.687 0.731 -10.326 1.00 0.00 O ATOM 873 CB GLN A 55 -2.233 3.796 -11.298 1.00 0.00 C ATOM 874 CG GLN A 55 -3.725 3.588 -11.528 1.00 0.00 C ATOM 875 CD GLN A 55 -4.549 3.786 -10.268 1.00 0.00 C ATOM 876 OE1 GLN A 55 -4.986 4.896 -9.962 1.00 0.00 O ATOM 877 NE2 GLN A 55 -4.770 2.709 -9.528 1.00 0.00 N ATOM 0 H GLN A 55 0.139 3.926 -10.641 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.197 3.009 -9.305 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.062 4.834 -11.013 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.706 3.633 -12.238 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.070 4.282 -12.295 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.892 2.581 -11.911 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.391 1.807 -9.815 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.319 2.783 -8.672 1.00 0.00 H new ATOM 886 N ALA A 56 -0.696 0.949 -11.360 1.00 0.00 N ATOM 887 CA ALA A 56 -0.624 -0.449 -11.771 1.00 0.00 C ATOM 888 C ALA A 56 -0.504 -1.363 -10.557 1.00 0.00 C ATOM 889 O ALA A 56 -1.156 -2.403 -10.485 1.00 0.00 O ATOM 890 CB ALA A 56 0.545 -0.673 -12.717 1.00 0.00 C ATOM 0 H ALA A 56 0.096 1.517 -11.661 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.546 -0.693 -12.298 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.580 -1.722 -13.011 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.420 -0.052 -13.604 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.475 -0.406 -12.216 1.00 0.00 H new ATOM 896 N LEU A 57 0.328 -0.961 -9.602 1.00 0.00 N ATOM 897 CA LEU A 57 0.488 -1.709 -8.362 1.00 0.00 C ATOM 898 C LEU A 57 -0.843 -1.826 -7.624 1.00 0.00 C ATOM 899 O LEU A 57 -1.253 -2.917 -7.230 1.00 0.00 O ATOM 900 CB LEU A 57 1.525 -1.029 -7.464 1.00 0.00 C ATOM 901 CG LEU A 57 2.962 -1.035 -7.996 1.00 0.00 C ATOM 902 CD1 LEU A 57 3.878 -0.238 -7.080 1.00 0.00 C ATOM 903 CD2 LEU A 57 3.476 -2.462 -8.134 1.00 0.00 C ATOM 0 H LEU A 57 0.902 -0.120 -9.664 1.00 0.00 H new ATOM 0 HA LEU A 57 0.835 -2.712 -8.611 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.219 0.005 -7.304 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.514 -1.519 -6.490 1.00 0.00 H new ATOM 0 HG LEU A 57 2.960 -0.566 -8.980 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.893 -0.255 -7.476 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.528 0.793 -7.023 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.870 -0.680 -6.083 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.498 -2.446 -8.513 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.458 -2.951 -7.160 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.840 -3.012 -8.828 1.00 0.00 H new ATOM 915 N ALA A 58 -1.518 -0.693 -7.458 1.00 0.00 N ATOM 916 CA ALA A 58 -2.812 -0.662 -6.791 1.00 0.00 C ATOM 917 C ALA A 58 -3.839 -1.492 -7.559 1.00 0.00 C ATOM 918 O ALA A 58 -4.654 -2.195 -6.963 1.00 0.00 O ATOM 919 CB ALA A 58 -3.291 0.777 -6.640 1.00 0.00 C ATOM 0 H ALA A 58 -1.188 0.218 -7.778 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.699 -1.099 -5.799 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.259 0.788 -6.140 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.570 1.340 -6.047 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.386 1.234 -7.625 1.00 0.00 H new ATOM 925 N ASP A 59 -3.781 -1.412 -8.887 1.00 0.00 N ATOM 926 CA ASP A 59 -4.690 -2.159 -9.754 1.00 0.00 C ATOM 927 C ASP A 59 -4.512 -3.660 -9.569 1.00 0.00 C ATOM 928 O ASP A 59 -5.489 -4.399 -9.450 1.00 0.00 O ATOM 929 CB ASP A 59 -4.452 -1.781 -11.218 1.00 0.00 C ATOM 930 CG ASP A 59 -5.280 -2.610 -12.185 1.00 0.00 C ATOM 931 OD1 ASP A 59 -6.500 -2.370 -12.291 1.00 0.00 O ATOM 932 OD2 ASP A 59 -4.709 -3.504 -12.848 1.00 0.00 O ATOM 0 H ASP A 59 -3.108 -0.832 -9.389 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.712 -1.899 -9.478 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.687 -0.726 -11.358 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.395 -1.906 -11.453 1.00 0.00 H new ATOM 937 N TYR A 60 -3.261 -4.101 -9.539 1.00 0.00 N ATOM 938 CA TYR A 60 -2.949 -5.517 -9.368 1.00 0.00 C ATOM 939 C TYR A 60 -3.513 -6.050 -8.055 1.00 0.00 C ATOM 940 O TYR A 60 -4.008 -7.175 -7.986 1.00 0.00 O ATOM 941 CB TYR A 60 -1.437 -5.747 -9.397 1.00 0.00 C ATOM 942 CG TYR A 60 -1.064 -7.208 -9.272 1.00 0.00 C ATOM 943 CD1 TYR A 60 -1.124 -8.056 -10.368 1.00 0.00 C ATOM 944 CD2 TYR A 60 -0.678 -7.743 -8.048 1.00 0.00 C ATOM 945 CE1 TYR A 60 -0.819 -9.396 -10.249 1.00 0.00 C ATOM 946 CE2 TYR A 60 -0.364 -9.081 -7.922 1.00 0.00 C ATOM 947 CZ TYR A 60 -0.437 -9.903 -9.025 1.00 0.00 C ATOM 948 OH TYR A 60 -0.152 -11.241 -8.899 1.00 0.00 O ATOM 0 H TYR A 60 -2.443 -3.498 -9.631 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.412 -6.054 -10.196 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.032 -5.352 -10.328 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.973 -5.187 -8.585 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.414 -7.661 -11.330 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.623 -7.101 -7.181 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.879 -10.045 -11.110 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.063 -9.481 -6.965 1.00 0.00 H new ATOM 0 HH TYR A 60 0.182 -11.586 -9.753 1.00 0.00 H new ATOM 958 N PHE A 61 -3.438 -5.231 -7.019 1.00 0.00 N ATOM 959 CA PHE A 61 -3.885 -5.635 -5.694 1.00 0.00 C ATOM 960 C PHE A 61 -5.356 -5.293 -5.487 1.00 0.00 C ATOM 961 O PHE A 61 -5.901 -5.487 -4.402 1.00 0.00 O ATOM 962 CB PHE A 61 -3.015 -4.992 -4.615 1.00 0.00 C ATOM 963 CG PHE A 61 -1.651 -5.610 -4.508 1.00 0.00 C ATOM 964 CD1 PHE A 61 -1.459 -6.758 -3.757 1.00 0.00 C ATOM 965 CD2 PHE A 61 -0.564 -5.046 -5.152 1.00 0.00 C ATOM 966 CE1 PHE A 61 -0.208 -7.333 -3.653 1.00 0.00 C ATOM 967 CE2 PHE A 61 0.691 -5.616 -5.052 1.00 0.00 C ATOM 968 CZ PHE A 61 0.868 -6.762 -4.300 1.00 0.00 C ATOM 0 H PHE A 61 -3.071 -4.281 -7.069 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.781 -6.717 -5.614 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.909 -3.928 -4.829 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.521 -5.075 -3.653 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.298 -7.209 -3.247 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.698 -4.150 -5.740 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.072 -8.229 -3.066 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.531 -5.167 -5.560 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.847 -7.210 -4.219 1.00 0.00 H new ATOM 978 N ASN A 62 -5.986 -4.796 -6.552 1.00 0.00 N ATOM 979 CA ASN A 62 -7.422 -4.516 -6.576 1.00 0.00 C ATOM 980 C ASN A 62 -7.812 -3.414 -5.590 1.00 0.00 C ATOM 981 O ASN A 62 -8.988 -3.256 -5.259 1.00 0.00 O ATOM 982 CB ASN A 62 -8.230 -5.787 -6.274 1.00 0.00 C ATOM 983 CG ASN A 62 -7.926 -6.930 -7.224 1.00 0.00 C ATOM 984 OD1 ASN A 62 -8.534 -7.050 -8.289 1.00 0.00 O ATOM 985 ND2 ASN A 62 -7.004 -7.797 -6.832 1.00 0.00 N ATOM 0 H ASN A 62 -5.511 -4.575 -7.427 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.657 -4.166 -7.581 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.023 -6.107 -5.253 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -9.294 -5.554 -6.325 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.776 -8.599 -7.419 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.523 -7.662 -5.943 1.00 0.00 H new ATOM 992 N ILE A 63 -6.837 -2.626 -5.154 1.00 0.00 N ATOM 993 CA ILE A 63 -7.074 -1.620 -4.125 1.00 0.00 C ATOM 994 C ILE A 63 -6.961 -0.207 -4.688 1.00 0.00 C ATOM 995 O ILE A 63 -6.714 -0.016 -5.880 1.00 0.00 O ATOM 996 CB ILE A 63 -6.089 -1.776 -2.948 1.00 0.00 C ATOM 997 CG1 ILE A 63 -4.642 -1.779 -3.454 1.00 0.00 C ATOM 998 CG2 ILE A 63 -6.395 -3.047 -2.167 1.00 0.00 C ATOM 999 CD1 ILE A 63 -3.611 -1.911 -2.352 1.00 0.00 C ATOM 0 H ILE A 63 -5.877 -2.663 -5.496 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.090 -1.777 -3.763 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.210 -0.926 -2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.515 -2.601 -4.159 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.457 -0.856 -4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.692 -3.144 -1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.411 -2.998 -1.776 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.301 -3.910 -2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.611 -1.906 -2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.710 -1.075 -1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.769 -2.847 -1.816 1.00 0.00 H new ATOM 1011 N ASN A 64 -7.173 0.776 -3.826 1.00 0.00 N ATOM 1012 CA ASN A 64 -7.050 2.179 -4.204 1.00 0.00 C ATOM 1013 C ASN A 64 -5.645 2.669 -3.892 1.00 0.00 C ATOM 1014 O ASN A 64 -4.931 2.043 -3.109 1.00 0.00 O ATOM 1015 CB ASN A 64 -8.072 3.036 -3.445 1.00 0.00 C ATOM 1016 CG ASN A 64 -9.511 2.678 -3.771 1.00 0.00 C ATOM 1017 OD1 ASN A 64 -10.101 3.217 -4.705 1.00 0.00 O ATOM 1018 ND2 ASN A 64 -10.087 1.773 -2.997 1.00 0.00 N ATOM 0 H ASN A 64 -7.433 0.627 -2.851 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.244 2.270 -5.273 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.909 2.920 -2.373 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.903 4.087 -3.682 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.055 1.499 -3.166 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.563 1.349 -2.232 1.00 0.00 H new ATOM 1025 N LYS A 65 -5.245 3.794 -4.484 1.00 0.00 N ATOM 1026 CA LYS A 65 -3.914 4.341 -4.225 1.00 0.00 C ATOM 1027 C LYS A 65 -3.806 4.793 -2.770 1.00 0.00 C ATOM 1028 O LYS A 65 -2.751 4.681 -2.148 1.00 0.00 O ATOM 1029 CB LYS A 65 -3.568 5.510 -5.169 1.00 0.00 C ATOM 1030 CG LYS A 65 -4.338 6.800 -4.900 1.00 0.00 C ATOM 1031 CD LYS A 65 -5.647 6.862 -5.673 1.00 0.00 C ATOM 1032 CE LYS A 65 -5.408 7.107 -7.159 1.00 0.00 C ATOM 1033 NZ LYS A 65 -4.818 8.450 -7.416 1.00 0.00 N ATOM 0 H LYS A 65 -5.812 4.336 -5.135 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.194 3.545 -4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.501 5.718 -5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.758 5.198 -6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.544 6.882 -3.833 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.718 7.654 -5.171 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.193 5.928 -5.541 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.272 7.658 -5.268 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.742 6.338 -7.551 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.351 7.017 -7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.936 8.694 -8.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.300 9.159 -6.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.805 8.435 -7.180 1.00 0.00 H new ATOM 1047 N SER A 66 -4.918 5.280 -2.227 1.00 0.00 N ATOM 1048 CA SER A 66 -4.962 5.760 -0.853 1.00 0.00 C ATOM 1049 C SER A 66 -4.764 4.608 0.133 1.00 0.00 C ATOM 1050 O SER A 66 -4.363 4.820 1.274 1.00 0.00 O ATOM 1051 CB SER A 66 -6.302 6.449 -0.589 1.00 0.00 C ATOM 1052 OG SER A 66 -6.596 7.404 -1.599 1.00 0.00 O ATOM 0 H SER A 66 -5.806 5.352 -2.724 1.00 0.00 H new ATOM 0 HA SER A 66 -4.152 6.475 -0.710 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.096 5.703 -0.548 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.276 6.941 0.384 1.00 0.00 H new ATOM 0 HG SER A 66 -7.458 7.828 -1.407 1.00 0.00 H new ATOM 1058 N ASP A 67 -5.022 3.388 -0.324 1.00 0.00 N ATOM 1059 CA ASP A 67 -4.905 2.211 0.531 1.00 0.00 C ATOM 1060 C ASP A 67 -3.438 1.875 0.777 1.00 0.00 C ATOM 1061 O ASP A 67 -3.093 1.252 1.781 1.00 0.00 O ATOM 1062 CB ASP A 67 -5.620 1.017 -0.105 1.00 0.00 C ATOM 1063 CG ASP A 67 -5.708 -0.179 0.825 1.00 0.00 C ATOM 1064 OD1 ASP A 67 -6.624 -0.212 1.674 1.00 0.00 O ATOM 1065 OD2 ASP A 67 -4.870 -1.096 0.713 1.00 0.00 O ATOM 0 H ASP A 67 -5.313 3.187 -1.281 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.377 2.432 1.488 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.626 1.317 -0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.094 0.726 -1.014 1.00 0.00 H new ATOM 1070 N LEU A 68 -2.583 2.287 -0.159 1.00 0.00 N ATOM 1071 CA LEU A 68 -1.142 2.083 -0.039 1.00 0.00 C ATOM 1072 C LEU A 68 -0.461 3.299 0.585 1.00 0.00 C ATOM 1073 O LEU A 68 0.490 3.162 1.357 1.00 0.00 O ATOM 1074 CB LEU A 68 -0.528 1.787 -1.409 1.00 0.00 C ATOM 1075 CG LEU A 68 -0.900 0.431 -2.011 1.00 0.00 C ATOM 1076 CD1 LEU A 68 -0.336 0.301 -3.415 1.00 0.00 C ATOM 1077 CD2 LEU A 68 -0.389 -0.699 -1.129 1.00 0.00 C ATOM 0 H LEU A 68 -2.867 2.767 -1.013 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.981 1.227 0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.833 2.570 -2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.557 1.843 -1.323 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.987 0.364 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.610 -0.670 -3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.743 1.092 -4.045 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.750 0.387 -3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.662 -1.657 -1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.696 -0.633 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.835 -0.617 -0.138 1.00 0.00 H new ATOM 1089 N ILE A 69 -0.944 4.489 0.241 1.00 0.00 N ATOM 1090 CA ILE A 69 -0.368 5.727 0.759 1.00 0.00 C ATOM 1091 C ILE A 69 -0.655 5.882 2.250 1.00 0.00 C ATOM 1092 O ILE A 69 0.239 6.210 3.035 1.00 0.00 O ATOM 1093 CB ILE A 69 -0.904 6.960 -0.007 1.00 0.00 C ATOM 1094 CG1 ILE A 69 -0.558 6.859 -1.495 1.00 0.00 C ATOM 1095 CG2 ILE A 69 -0.350 8.250 0.581 1.00 0.00 C ATOM 1096 CD1 ILE A 69 0.930 6.759 -1.775 1.00 0.00 C ATOM 0 H ILE A 69 -1.732 4.623 -0.393 1.00 0.00 H new ATOM 0 HA ILE A 69 0.710 5.668 0.611 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.989 6.978 0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.056 5.985 -1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.957 7.732 -2.011 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.742 9.101 0.025 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.648 8.331 1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.738 8.243 0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.094 6.691 -2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.434 7.644 -1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.333 5.870 -1.290 1.00 0.00 H new