USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1012 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 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 111 ASN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Set 2.1: A 47 HIS : no HE2:sc= 0.17 K(o=0.17,f=-0.95) USER MOD Set 2.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 8 GLN : amide:sc= 0.00599 K(o=0.019,f=-1.5) USER MOD Set 3.2: A 36 LYS NZ :NH3+ -150:sc= 0.0128 (180deg=0) USER MOD Single : A 4 SER OG : rot 26:sc= 0.0438 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot -11:sc= 0.351 USER MOD Single : A 10 GLN : amide:sc= 0.399 X(o=0.4,f=0) USER MOD Single : A 11 SER OG : rot 41:sc= 0.293 USER MOD Single : A 12 GLN : amide:sc= -1.43 K(o=-1.4,f=-3) USER MOD Single : A 14 ASN : amide:sc= 0.469 K(o=0.47,f=-0.85) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.682) USER MOD Single : A 30 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.13) USER MOD Single : A 31 LYS NZ :NH3+ -169:sc=-0.00226 (180deg=-0.117) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 30:sc= 0.0484 USER MOD Single : A 43 GLN : amide:sc= 0.19 X(o=0.19,f=-0.27) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 46 LYS NZ :NH3+ -178:sc= 0.543 (180deg=0.541) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -53:sc= 0.0508 USER MOD Single : A 57 LYS NZ :NH3+ 143:sc= 0.339 (180deg=0.00435) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 61 ASN : amide:sc= 1.53 K(o=1.5,f=-4.2!) USER MOD Single : A 69 CYS SG : rot 9:sc= -0.234 USER MOD Single : A 73 THR OG1 : rot 83:sc= 0.119 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -91:sc= 0.977 USER MOD Single : A 78 LYS NZ :NH3+ 150:sc= 0.217 (180deg=0.0222) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 169:sc= 1.03 USER MOD Single : A 84 GLN : amide:sc= 0.0761 X(o=0.076,f=-0.023) USER MOD Single : A 89 ASN : amide:sc= 0.0763 X(o=0.076,f=-0.049) USER MOD Single : A 90 LYS NZ :NH3+ 173:sc= -0.0558 (180deg=-0.0602) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0049) USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 99 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0042) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 MET CE :methyl 176:sc= 0 (180deg=-0.0169) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -163:sc= -0.0419 (180deg=-0.317) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 157 N PHE A 3 5.129 -12.912 -2.845 1.00 51.23 N ATOM 158 CA PHE A 3 5.356 -11.473 -2.737 1.00 34.33 C ATOM 159 C PHE A 3 6.677 -11.213 -1.983 1.00 42.54 C ATOM 160 O PHE A 3 6.660 -10.658 -0.884 1.00 61.34 O ATOM 161 CB PHE A 3 4.155 -10.805 -2.043 1.00 42.50 C ATOM 162 CG PHE A 3 2.825 -10.779 -2.777 1.00 12.51 C ATOM 163 CD1 PHE A 3 2.446 -9.647 -3.533 1.00 54.13 C ATOM 164 CD2 PHE A 3 1.963 -11.895 -2.733 1.00 61.21 C ATOM 165 CE1 PHE A 3 1.194 -9.606 -4.133 1.00 50.13 C ATOM 166 CE2 PHE A 3 0.720 -11.835 -3.345 1.00 20.11 C ATOM 167 CZ PHE A 3 0.330 -10.687 -4.020 1.00 13.10 C ATOM 0 HA PHE A 3 5.447 -11.034 -3.730 1.00 34.33 H new ATOM 0 HB2 PHE A 3 3.999 -11.309 -1.089 1.00 42.50 H new ATOM 0 HB3 PHE A 3 4.431 -9.775 -1.818 1.00 42.50 H new ATOM 0 HD1 PHE A 3 3.127 -8.817 -3.644 1.00 54.13 H new ATOM 0 HD2 PHE A 3 2.271 -12.796 -2.223 1.00 61.21 H new ATOM 0 HE1 PHE A 3 0.892 -8.731 -4.689 1.00 50.13 H new ATOM 0 HE2 PHE A 3 0.054 -12.684 -3.296 1.00 20.11 H new ATOM 0 HZ PHE A 3 -0.654 -10.634 -4.461 1.00 13.10 H new ATOM 177 N SER A 4 7.800 -11.639 -2.581 1.00 10.11 N ATOM 178 CA SER A 4 9.148 -11.434 -2.062 1.00 51.31 C ATOM 179 C SER A 4 10.024 -10.820 -3.168 1.00 52.21 C ATOM 180 O SER A 4 10.107 -11.375 -4.264 1.00 3.23 O ATOM 181 CB SER A 4 9.701 -12.742 -1.452 1.00 73.10 C ATOM 182 OG SER A 4 9.913 -13.766 -2.403 1.00 35.45 O ATOM 0 H SER A 4 7.788 -12.150 -3.464 1.00 10.11 H new ATOM 0 HA SER A 4 9.144 -10.721 -1.237 1.00 51.31 H new ATOM 0 HB2 SER A 4 10.642 -12.527 -0.946 1.00 73.10 H new ATOM 0 HB3 SER A 4 9.006 -13.101 -0.693 1.00 73.10 H new ATOM 0 HG SER A 4 10.073 -13.367 -3.284 1.00 35.45 H new ATOM 188 N GLY A 5 10.643 -9.670 -2.858 1.00 0.50 N ATOM 189 CA GLY A 5 11.466 -8.914 -3.799 1.00 50.05 C ATOM 190 C GLY A 5 11.568 -7.453 -3.337 1.00 70.14 C ATOM 191 O GLY A 5 10.911 -7.039 -2.381 1.00 2.24 O ATOM 0 H GLY A 5 10.582 -9.239 -1.935 1.00 0.50 H new ATOM 0 HA2 GLY A 5 12.460 -9.356 -3.864 1.00 50.05 H new ATOM 0 HA3 GLY A 5 11.031 -8.961 -4.797 1.00 50.05 H new ATOM 195 N LYS A 6 12.399 -6.672 -4.050 1.00 53.11 N ATOM 196 CA LYS A 6 12.611 -5.246 -3.798 1.00 33.32 C ATOM 197 C LYS A 6 12.465 -4.478 -5.120 1.00 2.31 C ATOM 198 O LYS A 6 12.997 -4.924 -6.136 1.00 51.24 O ATOM 199 CB LYS A 6 14.000 -5.024 -3.156 1.00 34.34 C ATOM 200 CG LYS A 6 14.020 -3.843 -2.165 1.00 41.11 C ATOM 201 CD LYS A 6 15.185 -2.864 -2.304 1.00 73.43 C ATOM 202 CE LYS A 6 16.553 -3.469 -1.976 1.00 73.45 C ATOM 203 NZ LYS A 6 17.605 -2.440 -2.025 1.00 41.11 N1+ ATOM 0 H LYS A 6 12.950 -7.027 -4.832 1.00 53.11 H new ATOM 0 HA LYS A 6 11.865 -4.871 -3.098 1.00 33.32 H new ATOM 0 HB2 LYS A 6 14.304 -5.933 -2.637 1.00 34.34 H new ATOM 0 HB3 LYS A 6 14.734 -4.845 -3.942 1.00 34.34 H new ATOM 0 HG2 LYS A 6 13.090 -3.286 -2.277 1.00 41.11 H new ATOM 0 HG3 LYS A 6 14.030 -4.246 -1.152 1.00 41.11 H new ATOM 0 HD2 LYS A 6 15.204 -2.481 -3.324 1.00 73.43 H new ATOM 0 HD3 LYS A 6 15.010 -2.012 -1.647 1.00 73.43 H new ATOM 0 HE2 LYS A 6 16.527 -3.922 -0.985 1.00 73.45 H new ATOM 0 HE3 LYS A 6 16.783 -4.265 -2.684 1.00 73.45 H new ATOM 0 HZ1 LYS A 6 18.524 -2.872 -1.800 1.00 41.11 H new ATOM 0 HZ2 LYS A 6 17.642 -2.026 -2.978 1.00 41.11 H new ATOM 0 HZ3 LYS A 6 17.394 -1.694 -1.332 1.00 41.11 H new ATOM 217 N TYR A 7 11.717 -3.364 -5.079 1.00 32.11 N ATOM 218 CA TYR A 7 11.199 -2.645 -6.243 1.00 30.14 C ATOM 219 C TYR A 7 11.390 -1.131 -6.055 1.00 32.15 C ATOM 220 O TYR A 7 10.984 -0.596 -5.028 1.00 20.05 O ATOM 221 CB TYR A 7 9.691 -2.964 -6.414 1.00 54.11 C ATOM 222 CG TYR A 7 9.325 -4.436 -6.540 1.00 71.04 C ATOM 223 CD1 TYR A 7 9.121 -5.011 -7.809 1.00 22.53 C ATOM 224 CD2 TYR A 7 9.163 -5.235 -5.388 1.00 32.01 C ATOM 225 CE1 TYR A 7 8.798 -6.374 -7.932 1.00 51.11 C ATOM 226 CE2 TYR A 7 8.839 -6.601 -5.508 1.00 13.51 C ATOM 227 CZ TYR A 7 8.663 -7.174 -6.783 1.00 23.13 C ATOM 228 OH TYR A 7 8.353 -8.495 -6.903 1.00 1.12 O ATOM 0 H TYR A 7 11.449 -2.926 -4.198 1.00 32.11 H new ATOM 0 HA TYR A 7 11.743 -2.962 -7.133 1.00 30.14 H new ATOM 0 HB2 TYR A 7 9.154 -2.550 -5.561 1.00 54.11 H new ATOM 0 HB3 TYR A 7 9.329 -2.444 -7.301 1.00 54.11 H new ATOM 0 HD1 TYR A 7 9.213 -4.400 -8.695 1.00 22.53 H new ATOM 0 HD2 TYR A 7 9.288 -4.797 -4.409 1.00 32.01 H new ATOM 0 HE1 TYR A 7 8.653 -6.807 -8.911 1.00 51.11 H new ATOM 0 HE2 TYR A 7 8.726 -7.209 -4.623 1.00 13.51 H new ATOM 0 HH TYR A 7 8.084 -8.685 -7.826 1.00 1.12 H new ATOM 238 N GLN A 8 11.950 -0.452 -7.068 1.00 12.25 N ATOM 239 CA GLN A 8 12.042 1.010 -7.131 1.00 23.23 C ATOM 240 C GLN A 8 10.783 1.588 -7.797 1.00 74.20 C ATOM 241 O GLN A 8 10.186 0.925 -8.644 1.00 23.14 O ATOM 242 CB GLN A 8 13.329 1.397 -7.889 1.00 44.44 C ATOM 243 CG GLN A 8 13.317 1.137 -9.413 1.00 54.44 C ATOM 244 CD GLN A 8 14.660 0.630 -9.932 1.00 43.43 C ATOM 245 OE1 GLN A 8 15.678 1.301 -9.777 1.00 25.13 O ATOM 246 NE2 GLN A 8 14.668 -0.553 -10.551 1.00 32.20 N ATOM 0 H GLN A 8 12.358 -0.915 -7.880 1.00 12.25 H new ATOM 0 HA GLN A 8 12.096 1.432 -6.127 1.00 23.23 H new ATOM 0 HB2 GLN A 8 13.522 2.457 -7.722 1.00 44.44 H new ATOM 0 HB3 GLN A 8 14.164 0.849 -7.453 1.00 44.44 H new ATOM 0 HG2 GLN A 8 12.542 0.407 -9.647 1.00 54.44 H new ATOM 0 HG3 GLN A 8 13.055 2.058 -9.933 1.00 54.44 H new ATOM 0 HE21 GLN A 8 13.800 -1.078 -10.659 1.00 32.20 H new ATOM 0 HE22 GLN A 8 15.542 -0.932 -10.916 1.00 32.20 H new ATOM 255 N LEU A 9 10.432 2.833 -7.444 1.00 12.01 N ATOM 256 CA LEU A 9 9.359 3.610 -8.071 1.00 44.41 C ATOM 257 C LEU A 9 9.676 3.951 -9.546 1.00 23.42 C ATOM 258 O LEU A 9 10.847 4.066 -9.909 1.00 10.44 O ATOM 259 CB LEU A 9 9.089 4.830 -7.156 1.00 53.02 C ATOM 260 CG LEU A 9 8.119 5.922 -7.658 1.00 23.31 C ATOM 261 CD1 LEU A 9 6.702 5.368 -7.898 1.00 2.25 C ATOM 262 CD2 LEU A 9 8.120 7.132 -6.698 1.00 32.31 C ATOM 0 H LEU A 9 10.901 3.339 -6.693 1.00 12.01 H new ATOM 0 HA LEU A 9 8.438 3.033 -8.149 1.00 44.41 H new ATOM 0 HB2 LEU A 9 8.705 4.455 -6.207 1.00 53.02 H new ATOM 0 HB3 LEU A 9 10.047 5.307 -6.947 1.00 53.02 H new ATOM 0 HG LEU A 9 8.476 6.269 -8.627 1.00 23.31 H new ATOM 0 HD11 LEU A 9 6.053 6.170 -8.250 1.00 2.25 H new ATOM 0 HD12 LEU A 9 6.742 4.578 -8.648 1.00 2.25 H new ATOM 0 HD13 LEU A 9 6.307 4.964 -6.966 1.00 2.25 H new ATOM 0 HD21 LEU A 9 7.431 7.891 -7.068 1.00 32.31 H new ATOM 0 HD22 LEU A 9 7.805 6.809 -5.706 1.00 32.31 H new ATOM 0 HD23 LEU A 9 9.125 7.551 -6.642 1.00 32.31 H new ATOM 274 N GLN A 10 8.630 4.063 -10.378 1.00 4.02 N ATOM 275 CA GLN A 10 8.732 4.337 -11.815 1.00 40.12 C ATOM 276 C GLN A 10 7.883 5.556 -12.208 1.00 25.41 C ATOM 277 O GLN A 10 8.381 6.405 -12.944 1.00 51.02 O ATOM 278 CB GLN A 10 8.295 3.096 -12.633 1.00 23.21 C ATOM 279 CG GLN A 10 9.107 1.810 -12.384 1.00 11.14 C ATOM 280 CD GLN A 10 10.500 1.819 -13.017 1.00 73.23 C ATOM 281 OE1 GLN A 10 10.676 1.357 -14.142 1.00 22.21 O ATOM 282 NE2 GLN A 10 11.500 2.312 -12.288 1.00 4.53 N ATOM 0 H GLN A 10 7.666 3.963 -10.060 1.00 4.02 H new ATOM 0 HA GLN A 10 9.774 4.561 -12.041 1.00 40.12 H new ATOM 0 HB2 GLN A 10 7.247 2.890 -12.414 1.00 23.21 H new ATOM 0 HB3 GLN A 10 8.356 3.343 -13.693 1.00 23.21 H new ATOM 0 HG2 GLN A 10 9.209 1.660 -11.309 1.00 11.14 H new ATOM 0 HG3 GLN A 10 8.548 0.959 -12.773 1.00 11.14 H new ATOM 0 HE21 GLN A 10 11.316 2.687 -11.358 1.00 4.53 H new ATOM 0 HE22 GLN A 10 12.450 2.314 -12.660 1.00 4.53 H new ATOM 291 N SER A 11 6.629 5.620 -11.725 1.00 2.22 N ATOM 292 CA SER A 11 5.665 6.673 -12.064 1.00 31.44 C ATOM 293 C SER A 11 4.511 6.722 -11.054 1.00 60.01 C ATOM 294 O SER A 11 4.216 5.713 -10.411 1.00 44.20 O ATOM 295 CB SER A 11 5.133 6.459 -13.504 1.00 33.23 C ATOM 296 OG SER A 11 5.903 7.200 -14.427 1.00 42.42 O ATOM 0 H SER A 11 6.254 4.927 -11.077 1.00 2.22 H new ATOM 0 HA SER A 11 6.177 7.634 -12.018 1.00 31.44 H new ATOM 0 HB2 SER A 11 5.169 5.400 -13.758 1.00 33.23 H new ATOM 0 HB3 SER A 11 4.089 6.766 -13.562 1.00 33.23 H new ATOM 0 HG SER A 11 6.851 7.134 -14.190 1.00 42.42 H new ATOM 302 N GLN A 12 3.873 7.902 -10.949 1.00 33.41 N ATOM 303 CA GLN A 12 2.696 8.154 -10.118 1.00 74.33 C ATOM 304 C GLN A 12 1.705 9.012 -10.922 1.00 1.03 C ATOM 305 O GLN A 12 2.137 9.962 -11.578 1.00 32.25 O ATOM 306 CB GLN A 12 3.071 8.924 -8.821 1.00 61.21 C ATOM 307 CG GLN A 12 4.214 8.345 -7.962 1.00 23.43 C ATOM 308 CD GLN A 12 5.550 9.065 -8.192 1.00 73.02 C ATOM 309 OE1 GLN A 12 6.241 8.809 -9.175 1.00 23.32 O ATOM 310 NE2 GLN A 12 5.929 9.962 -7.279 1.00 11.21 N ATOM 0 H GLN A 12 4.178 8.730 -11.460 1.00 33.41 H new ATOM 0 HA GLN A 12 2.259 7.195 -9.839 1.00 74.33 H new ATOM 0 HB2 GLN A 12 3.340 9.943 -9.099 1.00 61.21 H new ATOM 0 HB3 GLN A 12 2.179 8.989 -8.197 1.00 61.21 H new ATOM 0 HG2 GLN A 12 3.944 8.417 -6.908 1.00 23.43 H new ATOM 0 HG3 GLN A 12 4.333 7.286 -8.189 1.00 23.43 H new ATOM 0 HE21 GLN A 12 5.333 10.153 -6.473 1.00 11.21 H new ATOM 0 HE22 GLN A 12 6.814 10.457 -7.387 1.00 11.21 H new ATOM 319 N GLU A 13 0.399 8.714 -10.799 1.00 43.44 N ATOM 320 CA GLU A 13 -0.690 9.572 -11.283 1.00 42.23 C ATOM 321 C GLU A 13 -1.526 10.049 -10.088 1.00 20.52 C ATOM 322 O GLU A 13 -1.631 9.328 -9.094 1.00 74.05 O ATOM 323 CB GLU A 13 -1.604 8.858 -12.307 1.00 15.01 C ATOM 324 CG GLU A 13 -0.925 8.381 -13.609 1.00 12.24 C ATOM 325 CD GLU A 13 -0.304 6.987 -13.510 1.00 45.31 C ATOM 326 OE1 GLU A 13 0.935 6.918 -13.375 1.00 24.51 O ATOM 327 OE2 GLU A 13 -1.088 6.015 -13.583 1.00 1.35 O1- ATOM 0 H GLU A 13 0.069 7.858 -10.354 1.00 43.44 H new ATOM 0 HA GLU A 13 -0.236 10.419 -11.798 1.00 42.23 H new ATOM 0 HB2 GLU A 13 -2.055 7.994 -11.819 1.00 15.01 H new ATOM 0 HB3 GLU A 13 -2.416 9.535 -12.572 1.00 15.01 H new ATOM 0 HG2 GLU A 13 -1.661 8.384 -14.413 1.00 12.24 H new ATOM 0 HG3 GLU A 13 -0.149 9.095 -13.885 1.00 12.24 H new ATOM 334 N ASN A 14 -2.105 11.261 -10.215 1.00 43.13 N ATOM 335 CA ASN A 14 -2.892 11.965 -9.186 1.00 52.34 C ATOM 336 C ASN A 14 -2.102 12.225 -7.884 1.00 34.24 C ATOM 337 O ASN A 14 -2.720 12.345 -6.828 1.00 23.21 O ATOM 338 CB ASN A 14 -4.260 11.237 -8.946 1.00 31.51 C ATOM 339 CG ASN A 14 -5.468 11.923 -9.590 1.00 12.42 C ATOM 340 OD1 ASN A 14 -5.569 13.147 -9.603 1.00 10.54 O ATOM 341 ND2 ASN A 14 -6.424 11.134 -10.081 1.00 73.45 N ATOM 0 H ASN A 14 -2.032 11.799 -11.079 1.00 43.13 H new ATOM 0 HA ASN A 14 -3.114 12.961 -9.569 1.00 52.34 H new ATOM 0 HB2 ASN A 14 -4.188 10.220 -9.331 1.00 31.51 H new ATOM 0 HB3 ASN A 14 -4.432 11.160 -7.872 1.00 31.51 H new ATOM 0 HD21 ASN A 14 -7.268 11.544 -10.482 1.00 73.45 H new ATOM 0 HD22 ASN A 14 -6.312 10.121 -10.056 1.00 73.45 H new ATOM 348 N PHE A 15 -0.759 12.315 -7.971 1.00 24.15 N ATOM 349 CA PHE A 15 0.143 12.431 -6.822 1.00 23.43 C ATOM 350 C PHE A 15 -0.146 13.653 -5.943 1.00 74.11 C ATOM 351 O PHE A 15 -0.508 13.466 -4.783 1.00 1.01 O ATOM 352 CB PHE A 15 1.620 12.326 -7.270 1.00 2.23 C ATOM 353 CG PHE A 15 2.649 12.339 -6.145 1.00 74.31 C ATOM 354 CD1 PHE A 15 3.027 11.133 -5.514 1.00 60.44 C ATOM 355 CD2 PHE A 15 3.109 13.560 -5.607 1.00 63.41 C ATOM 356 CE1 PHE A 15 3.875 11.155 -4.416 1.00 62.11 C ATOM 357 CE2 PHE A 15 3.953 13.561 -4.505 1.00 71.40 C ATOM 358 CZ PHE A 15 4.335 12.364 -3.915 1.00 21.22 C ATOM 0 H PHE A 15 -0.267 12.308 -8.865 1.00 24.15 H new ATOM 0 HA PHE A 15 -0.054 11.581 -6.168 1.00 23.43 H new ATOM 0 HB2 PHE A 15 1.744 11.406 -7.842 1.00 2.23 H new ATOM 0 HB3 PHE A 15 1.836 13.153 -7.946 1.00 2.23 H new ATOM 0 HD1 PHE A 15 2.655 10.191 -5.888 1.00 60.44 H new ATOM 0 HD2 PHE A 15 2.804 14.495 -6.053 1.00 63.41 H new ATOM 0 HE1 PHE A 15 4.178 10.229 -3.950 1.00 62.11 H new ATOM 0 HE2 PHE A 15 4.314 14.497 -4.105 1.00 71.40 H new ATOM 0 HZ PHE A 15 4.995 12.374 -3.060 1.00 21.22 H new ATOM 368 N GLU A 16 -0.031 14.866 -6.510 1.00 41.43 N ATOM 369 CA GLU A 16 -0.281 16.109 -5.777 1.00 0.21 C ATOM 370 C GLU A 16 -1.750 16.282 -5.357 1.00 40.14 C ATOM 371 O GLU A 16 -1.984 16.802 -4.271 1.00 50.12 O ATOM 372 CB GLU A 16 0.241 17.336 -6.550 1.00 62.30 C ATOM 373 CG GLU A 16 1.734 17.222 -6.923 1.00 34.23 C ATOM 374 CD GLU A 16 2.381 18.559 -7.292 1.00 35.45 C ATOM 375 OE1 GLU A 16 2.274 19.497 -6.471 1.00 2.32 O ATOM 376 OE2 GLU A 16 3.007 18.612 -8.372 1.00 14.32 O1- ATOM 0 H GLU A 16 0.237 15.007 -7.484 1.00 41.43 H new ATOM 0 HA GLU A 16 0.287 16.033 -4.850 1.00 0.21 H new ATOM 0 HB2 GLU A 16 -0.347 17.463 -7.459 1.00 62.30 H new ATOM 0 HB3 GLU A 16 0.090 18.231 -5.946 1.00 62.30 H new ATOM 0 HG2 GLU A 16 2.276 16.785 -6.084 1.00 34.23 H new ATOM 0 HG3 GLU A 16 1.838 16.534 -7.762 1.00 34.23 H new ATOM 383 N ALA A 17 -2.704 15.786 -6.165 1.00 41.43 N ATOM 384 CA ALA A 17 -4.131 15.756 -5.830 1.00 64.44 C ATOM 385 C ALA A 17 -4.443 14.896 -4.593 1.00 21.15 C ATOM 386 O ALA A 17 -5.187 15.350 -3.728 1.00 52.04 O ATOM 387 CB ALA A 17 -4.935 15.271 -7.045 1.00 51.43 C ATOM 0 H ALA A 17 -2.498 15.390 -7.082 1.00 41.43 H new ATOM 0 HA ALA A 17 -4.425 16.774 -5.573 1.00 64.44 H new ATOM 0 HB1 ALA A 17 -5.996 15.249 -6.794 1.00 51.43 H new ATOM 0 HB2 ALA A 17 -4.774 15.950 -7.882 1.00 51.43 H new ATOM 0 HB3 ALA A 17 -4.607 14.269 -7.322 1.00 51.43 H new ATOM 393 N PHE A 18 -3.841 13.697 -4.521 1.00 53.03 N ATOM 394 CA PHE A 18 -3.955 12.758 -3.408 1.00 1.40 C ATOM 395 C PHE A 18 -3.276 13.250 -2.123 1.00 42.54 C ATOM 396 O PHE A 18 -3.912 13.244 -1.071 1.00 24.03 O ATOM 397 CB PHE A 18 -3.464 11.361 -3.855 1.00 72.24 C ATOM 398 CG PHE A 18 -3.391 10.307 -2.764 1.00 64.31 C ATOM 399 CD1 PHE A 18 -4.569 9.687 -2.303 1.00 12.40 C ATOM 400 CD2 PHE A 18 -2.179 10.073 -2.081 1.00 3.02 C ATOM 401 CE1 PHE A 18 -4.520 8.828 -1.213 1.00 31.44 C ATOM 402 CE2 PHE A 18 -2.150 9.210 -0.994 1.00 22.13 C ATOM 403 CZ PHE A 18 -3.316 8.594 -0.561 1.00 41.52 C ATOM 0 H PHE A 18 -3.240 13.348 -5.268 1.00 53.03 H new ATOM 0 HA PHE A 18 -5.009 12.682 -3.140 1.00 1.40 H new ATOM 0 HB2 PHE A 18 -4.126 10.998 -4.641 1.00 72.24 H new ATOM 0 HB3 PHE A 18 -2.474 11.469 -4.297 1.00 72.24 H new ATOM 0 HD1 PHE A 18 -5.510 9.880 -2.797 1.00 12.40 H new ATOM 0 HD2 PHE A 18 -1.274 10.565 -2.404 1.00 3.02 H new ATOM 0 HE1 PHE A 18 -5.421 8.340 -0.871 1.00 31.44 H new ATOM 0 HE2 PHE A 18 -1.218 9.017 -0.484 1.00 22.13 H new ATOM 0 HZ PHE A 18 -3.287 7.928 0.289 1.00 41.52 H new ATOM 413 N MET A 19 -2.005 13.667 -2.239 1.00 55.30 N ATOM 414 CA MET A 19 -1.164 14.114 -1.129 1.00 10.14 C ATOM 415 C MET A 19 -1.703 15.382 -0.439 1.00 23.02 C ATOM 416 O MET A 19 -1.716 15.429 0.790 1.00 25.41 O ATOM 417 CB MET A 19 0.272 14.349 -1.624 1.00 3.32 C ATOM 418 CG MET A 19 1.005 13.125 -2.206 1.00 44.32 C ATOM 419 SD MET A 19 2.172 12.292 -1.098 1.00 31.24 S ATOM 420 CE MET A 19 1.139 10.930 -0.504 1.00 45.12 C ATOM 0 H MET A 19 -1.524 13.701 -3.138 1.00 55.30 H new ATOM 0 HA MET A 19 -1.175 13.322 -0.380 1.00 10.14 H new ATOM 0 HB2 MET A 19 0.247 15.127 -2.387 1.00 3.32 H new ATOM 0 HB3 MET A 19 0.861 14.736 -0.793 1.00 3.32 H new ATOM 0 HG2 MET A 19 0.258 12.399 -2.526 1.00 44.32 H new ATOM 0 HG3 MET A 19 1.545 13.441 -3.098 1.00 44.32 H new ATOM 0 HE1 MET A 19 1.711 10.317 0.193 1.00 45.12 H new ATOM 0 HE2 MET A 19 0.262 11.333 0.002 1.00 45.12 H new ATOM 0 HE3 MET A 19 0.821 10.319 -1.349 1.00 45.12 H new ATOM 430 N LYS A 20 -2.167 16.364 -1.231 1.00 5.12 N ATOM 431 CA LYS A 20 -2.766 17.604 -0.730 1.00 70.21 C ATOM 432 C LYS A 20 -4.196 17.408 -0.187 1.00 45.31 C ATOM 433 O LYS A 20 -4.589 18.170 0.696 1.00 54.35 O ATOM 434 CB LYS A 20 -2.741 18.686 -1.831 1.00 21.54 C ATOM 435 CG LYS A 20 -1.326 19.109 -2.292 1.00 73.32 C ATOM 436 CD LYS A 20 -0.490 19.890 -1.265 1.00 31.42 C ATOM 437 CE LYS A 20 -1.078 21.267 -0.919 1.00 14.14 C ATOM 438 NZ LYS A 20 -0.188 22.013 -0.018 1.00 71.41 N1+ ATOM 0 H LYS A 20 -2.134 16.314 -2.249 1.00 5.12 H new ATOM 0 HA LYS A 20 -2.162 17.932 0.116 1.00 70.21 H new ATOM 0 HB2 LYS A 20 -3.295 18.318 -2.695 1.00 21.54 H new ATOM 0 HB3 LYS A 20 -3.268 19.568 -1.466 1.00 21.54 H new ATOM 0 HG2 LYS A 20 -0.774 18.213 -2.574 1.00 73.32 H new ATOM 0 HG3 LYS A 20 -1.425 19.719 -3.190 1.00 73.32 H new ATOM 0 HD2 LYS A 20 -0.405 19.300 -0.353 1.00 31.42 H new ATOM 0 HD3 LYS A 20 0.520 20.022 -1.654 1.00 31.42 H new ATOM 0 HE2 LYS A 20 -1.236 21.838 -1.834 1.00 14.14 H new ATOM 0 HE3 LYS A 20 -2.053 21.141 -0.449 1.00 14.14 H new ATOM 0 HZ1 LYS A 20 -0.758 22.579 0.642 1.00 71.41 H new ATOM 0 HZ2 LYS A 20 0.402 21.345 0.518 1.00 71.41 H new ATOM 0 HZ3 LYS A 20 0.423 22.643 -0.576 1.00 71.41 H new ATOM 452 N ALA A 21 -4.929 16.392 -0.682 1.00 70.25 N ATOM 453 CA ALA A 21 -6.257 16.023 -0.183 1.00 31.14 C ATOM 454 C ALA A 21 -6.221 15.331 1.188 1.00 31.42 C ATOM 455 O ALA A 21 -7.086 15.627 2.012 1.00 52.22 O ATOM 456 CB ALA A 21 -6.990 15.148 -1.204 1.00 4.31 C ATOM 0 H ALA A 21 -4.607 15.801 -1.448 1.00 70.25 H new ATOM 0 HA ALA A 21 -6.803 16.956 -0.044 1.00 31.14 H new ATOM 0 HB1 ALA A 21 -7.974 14.884 -0.817 1.00 4.31 H new ATOM 0 HB2 ALA A 21 -7.103 15.697 -2.139 1.00 4.31 H new ATOM 0 HB3 ALA A 21 -6.415 14.240 -1.384 1.00 4.31 H new ATOM 462 N ILE A 22 -5.216 14.466 1.429 1.00 64.42 N ATOM 463 CA ILE A 22 -4.952 13.891 2.756 1.00 53.33 C ATOM 464 C ILE A 22 -4.264 14.891 3.716 1.00 74.23 C ATOM 465 O ILE A 22 -4.275 14.651 4.924 1.00 51.23 O ATOM 466 CB ILE A 22 -4.147 12.558 2.708 1.00 34.13 C ATOM 467 CG1 ILE A 22 -2.681 12.677 2.232 1.00 63.24 C ATOM 468 CG2 ILE A 22 -4.917 11.481 1.919 1.00 10.14 C ATOM 469 CD1 ILE A 22 -1.863 11.389 2.420 1.00 61.52 C ATOM 0 H ILE A 22 -4.567 14.149 0.708 1.00 64.42 H new ATOM 0 HA ILE A 22 -5.941 13.661 3.152 1.00 53.33 H new ATOM 0 HB ILE A 22 -4.057 12.249 3.750 1.00 34.13 H new ATOM 0 HG12 ILE A 22 -2.672 12.952 1.177 1.00 63.24 H new ATOM 0 HG13 ILE A 22 -2.196 13.487 2.777 1.00 63.24 H new ATOM 0 HG21 ILE A 22 -4.335 10.559 1.899 1.00 10.14 H new ATOM 0 HG22 ILE A 22 -5.877 11.294 2.400 1.00 10.14 H new ATOM 0 HG23 ILE A 22 -5.084 11.827 0.899 1.00 10.14 H new ATOM 0 HD11 ILE A 22 -0.845 11.549 2.064 1.00 61.52 H new ATOM 0 HD12 ILE A 22 -1.840 11.124 3.477 1.00 61.52 H new ATOM 0 HD13 ILE A 22 -2.323 10.580 1.853 1.00 61.52 H new ATOM 481 N GLY A 23 -3.751 16.014 3.181 1.00 43.03 N ATOM 482 CA GLY A 23 -3.369 17.190 3.960 1.00 24.22 C ATOM 483 C GLY A 23 -1.870 17.269 4.268 1.00 33.24 C ATOM 484 O GLY A 23 -1.504 18.025 5.168 1.00 54.20 O ATOM 0 H GLY A 23 -3.591 16.124 2.180 1.00 43.03 H new ATOM 0 HA2 GLY A 23 -3.666 18.087 3.416 1.00 24.22 H new ATOM 0 HA3 GLY A 23 -3.923 17.188 4.898 1.00 24.22 H new ATOM 488 N LEU A 24 -1.001 16.533 3.548 1.00 41.30 N ATOM 489 CA LEU A 24 0.461 16.605 3.692 1.00 1.32 C ATOM 490 C LEU A 24 1.010 18.012 3.360 1.00 71.32 C ATOM 491 O LEU A 24 0.512 18.634 2.418 1.00 51.04 O ATOM 492 CB LEU A 24 1.121 15.575 2.747 1.00 61.22 C ATOM 493 CG LEU A 24 1.117 14.134 3.285 1.00 65.05 C ATOM 494 CD1 LEU A 24 1.416 13.148 2.151 1.00 2.04 C ATOM 495 CD2 LEU A 24 2.131 13.950 4.427 1.00 64.15 C ATOM 0 H LEU A 24 -1.302 15.863 2.840 1.00 41.30 H new ATOM 0 HA LEU A 24 0.700 16.386 4.733 1.00 1.32 H new ATOM 0 HB2 LEU A 24 0.603 15.594 1.788 1.00 61.22 H new ATOM 0 HB3 LEU A 24 2.151 15.878 2.559 1.00 61.22 H new ATOM 0 HG LEU A 24 0.124 13.933 3.688 1.00 65.05 H new ATOM 0 HD11 LEU A 24 1.411 12.131 2.543 1.00 2.04 H new ATOM 0 HD12 LEU A 24 0.655 13.243 1.376 1.00 2.04 H new ATOM 0 HD13 LEU A 24 2.395 13.368 1.726 1.00 2.04 H new ATOM 0 HD21 LEU A 24 2.098 12.919 4.780 1.00 64.15 H new ATOM 0 HD22 LEU A 24 3.133 14.177 4.064 1.00 64.15 H new ATOM 0 HD23 LEU A 24 1.881 14.623 5.247 1.00 64.15 H new ATOM 507 N PRO A 25 2.037 18.482 4.113 1.00 51.42 N ATOM 508 CA PRO A 25 2.733 19.745 3.804 1.00 64.41 C ATOM 509 C PRO A 25 3.443 19.685 2.445 1.00 52.34 C ATOM 510 O PRO A 25 3.944 18.624 2.071 1.00 25.31 O ATOM 511 CB PRO A 25 3.727 19.913 4.965 1.00 42.32 C ATOM 512 CG PRO A 25 4.016 18.499 5.432 1.00 45.43 C ATOM 513 CD PRO A 25 2.678 17.799 5.241 1.00 10.24 C ATOM 0 HA PRO A 25 2.049 20.589 3.719 1.00 64.41 H new ATOM 0 HB2 PRO A 25 4.637 20.416 4.638 1.00 42.32 H new ATOM 0 HB3 PRO A 25 3.301 20.516 5.767 1.00 42.32 H new ATOM 0 HG2 PRO A 25 4.804 18.032 4.842 1.00 45.43 H new ATOM 0 HG3 PRO A 25 4.340 18.475 6.473 1.00 45.43 H new ATOM 0 HD2 PRO A 25 2.816 16.738 5.031 1.00 10.24 H new ATOM 0 HD3 PRO A 25 2.067 17.868 6.141 1.00 10.24 H new ATOM 521 N GLU A 26 3.441 20.817 1.721 1.00 15.43 N ATOM 522 CA GLU A 26 3.928 20.916 0.343 1.00 32.41 C ATOM 523 C GLU A 26 5.411 20.537 0.151 1.00 20.45 C ATOM 524 O GLU A 26 5.759 20.071 -0.929 1.00 41.02 O ATOM 525 CB GLU A 26 3.548 22.293 -0.231 1.00 40.32 C ATOM 526 CG GLU A 26 3.740 22.409 -1.757 1.00 11.11 C ATOM 527 CD GLU A 26 3.005 23.611 -2.354 1.00 71.15 C ATOM 528 OE1 GLU A 26 2.978 24.668 -1.686 1.00 30.22 O ATOM 529 OE2 GLU A 26 2.457 23.438 -3.462 1.00 51.31 O1- ATOM 0 H GLU A 26 3.093 21.703 2.088 1.00 15.43 H new ATOM 0 HA GLU A 26 3.423 20.148 -0.243 1.00 32.41 H new ATOM 0 HB2 GLU A 26 2.506 22.501 0.011 1.00 40.32 H new ATOM 0 HB3 GLU A 26 4.149 23.059 0.260 1.00 40.32 H new ATOM 0 HG2 GLU A 26 4.804 22.491 -1.980 1.00 11.11 H new ATOM 0 HG3 GLU A 26 3.384 21.496 -2.235 1.00 11.11 H new ATOM 536 N GLU A 27 6.229 20.647 1.213 1.00 72.42 N ATOM 537 CA GLU A 27 7.595 20.119 1.292 1.00 12.31 C ATOM 538 C GLU A 27 7.677 18.596 1.064 1.00 42.50 C ATOM 539 O GLU A 27 8.509 18.157 0.271 1.00 21.24 O ATOM 540 CB GLU A 27 8.213 20.540 2.643 1.00 3.21 C ATOM 541 CG GLU A 27 9.625 19.983 2.919 1.00 35.22 C ATOM 542 CD GLU A 27 10.170 20.482 4.254 1.00 64.24 C ATOM 543 OE1 GLU A 27 10.074 19.708 5.231 1.00 75.20 O ATOM 544 OE2 GLU A 27 10.667 21.629 4.272 1.00 2.32 O1- ATOM 0 H GLU A 27 5.943 21.124 2.068 1.00 72.42 H new ATOM 0 HA GLU A 27 8.175 20.549 0.475 1.00 12.31 H new ATOM 0 HB2 GLU A 27 8.255 21.628 2.682 1.00 3.21 H new ATOM 0 HB3 GLU A 27 7.549 20.217 3.445 1.00 3.21 H new ATOM 0 HG2 GLU A 27 9.594 18.893 2.922 1.00 35.22 H new ATOM 0 HG3 GLU A 27 10.299 20.281 2.115 1.00 35.22 H new ATOM 551 N LEU A 28 6.800 17.831 1.742 1.00 51.31 N ATOM 552 CA LEU A 28 6.675 16.376 1.603 1.00 65.54 C ATOM 553 C LEU A 28 6.114 15.958 0.233 1.00 32.34 C ATOM 554 O LEU A 28 6.472 14.875 -0.230 1.00 40.54 O ATOM 555 CB LEU A 28 5.838 15.773 2.759 1.00 15.54 C ATOM 556 CG LEU A 28 6.662 15.367 4.004 1.00 40.12 C ATOM 557 CD1 LEU A 28 7.356 16.547 4.716 1.00 40.45 C ATOM 558 CD2 LEU A 28 5.820 14.533 4.985 1.00 71.15 C ATOM 0 H LEU A 28 6.144 18.223 2.418 1.00 51.31 H new ATOM 0 HA LEU A 28 7.684 15.969 1.664 1.00 65.54 H new ATOM 0 HB2 LEU A 28 5.082 16.498 3.060 1.00 15.54 H new ATOM 0 HB3 LEU A 28 5.308 14.896 2.388 1.00 15.54 H new ATOM 0 HG LEU A 28 7.472 14.743 3.626 1.00 40.12 H new ATOM 0 HD11 LEU A 28 7.912 16.176 5.577 1.00 40.45 H new ATOM 0 HD12 LEU A 28 8.042 17.036 4.025 1.00 40.45 H new ATOM 0 HD13 LEU A 28 6.605 17.263 5.050 1.00 40.45 H new ATOM 0 HD21 LEU A 28 6.428 14.264 5.849 1.00 71.15 H new ATOM 0 HD22 LEU A 28 4.960 15.117 5.314 1.00 71.15 H new ATOM 0 HD23 LEU A 28 5.474 13.627 4.488 1.00 71.15 H new ATOM 570 N ILE A 29 5.311 16.827 -0.412 1.00 13.23 N ATOM 571 CA ILE A 29 4.921 16.665 -1.813 1.00 61.03 C ATOM 572 C ILE A 29 6.132 16.834 -2.748 1.00 61.24 C ATOM 573 O ILE A 29 6.389 15.917 -3.522 1.00 44.33 O ATOM 574 CB ILE A 29 3.739 17.589 -2.265 1.00 42.33 C ATOM 575 CG1 ILE A 29 2.382 17.055 -1.763 1.00 62.41 C ATOM 576 CG2 ILE A 29 3.614 17.756 -3.796 1.00 63.41 C ATOM 577 CD1 ILE A 29 2.105 17.230 -0.268 1.00 23.43 C ATOM 0 H ILE A 29 4.918 17.658 0.030 1.00 13.23 H new ATOM 0 HA ILE A 29 4.545 15.645 -1.890 1.00 61.03 H new ATOM 0 HB ILE A 29 3.980 18.556 -1.825 1.00 42.33 H new ATOM 0 HG12 ILE A 29 1.589 17.554 -2.320 1.00 62.41 H new ATOM 0 HG13 ILE A 29 2.321 15.993 -2.002 1.00 62.41 H new ATOM 0 HG21 ILE A 29 2.772 18.410 -4.023 1.00 63.41 H new ATOM 0 HG22 ILE A 29 4.531 18.195 -4.190 1.00 63.41 H new ATOM 0 HG23 ILE A 29 3.451 16.781 -4.256 1.00 63.41 H new ATOM 0 HD11 ILE A 29 1.124 16.819 -0.029 1.00 23.43 H new ATOM 0 HD12 ILE A 29 2.868 16.706 0.307 1.00 23.43 H new ATOM 0 HD13 ILE A 29 2.125 18.290 -0.016 1.00 23.43 H new ATOM 589 N GLN A 30 6.857 17.965 -2.651 1.00 73.04 N ATOM 590 CA GLN A 30 7.971 18.304 -3.542 1.00 71.00 C ATOM 591 C GLN A 30 9.142 17.307 -3.511 1.00 2.13 C ATOM 592 O GLN A 30 9.625 16.942 -4.581 1.00 63.11 O ATOM 593 CB GLN A 30 8.471 19.751 -3.303 1.00 31.43 C ATOM 594 CG GLN A 30 7.509 20.914 -3.656 1.00 43.50 C ATOM 595 CD GLN A 30 6.669 20.715 -4.921 1.00 43.21 C ATOM 596 OE1 GLN A 30 7.214 20.509 -6.004 1.00 42.35 O ATOM 597 NE2 GLN A 30 5.342 20.789 -4.793 1.00 51.30 N ATOM 0 H GLN A 30 6.679 18.675 -1.940 1.00 73.04 H new ATOM 0 HA GLN A 30 7.555 18.234 -4.547 1.00 71.00 H new ATOM 0 HB2 GLN A 30 8.737 19.844 -2.250 1.00 31.43 H new ATOM 0 HB3 GLN A 30 9.387 19.888 -3.877 1.00 31.43 H new ATOM 0 HG2 GLN A 30 6.835 21.072 -2.814 1.00 43.50 H new ATOM 0 HG3 GLN A 30 8.096 21.825 -3.770 1.00 43.50 H new ATOM 0 HE21 GLN A 30 4.927 20.961 -3.877 1.00 51.30 H new ATOM 0 HE22 GLN A 30 4.744 20.673 -5.611 1.00 51.30 H new ATOM 606 N LYS A 31 9.545 16.844 -2.315 1.00 15.24 N ATOM 607 CA LYS A 31 10.577 15.810 -2.164 1.00 32.41 C ATOM 608 C LYS A 31 10.037 14.382 -2.390 1.00 15.54 C ATOM 609 O LYS A 31 10.845 13.471 -2.547 1.00 25.33 O ATOM 610 CB LYS A 31 11.303 15.992 -0.809 1.00 61.25 C ATOM 611 CG LYS A 31 10.524 15.595 0.462 1.00 25.12 C ATOM 612 CD LYS A 31 10.861 14.184 0.987 1.00 14.14 C ATOM 613 CE LYS A 31 10.205 13.853 2.335 1.00 54.24 C ATOM 614 NZ LYS A 31 10.697 14.723 3.419 1.00 12.45 N1+ ATOM 0 H LYS A 31 9.164 17.177 -1.429 1.00 15.24 H new ATOM 0 HA LYS A 31 11.315 15.941 -2.956 1.00 32.41 H new ATOM 0 HB2 LYS A 31 12.224 15.410 -0.837 1.00 61.25 H new ATOM 0 HB3 LYS A 31 11.591 17.039 -0.717 1.00 61.25 H new ATOM 0 HG2 LYS A 31 10.732 16.323 1.246 1.00 25.12 H new ATOM 0 HG3 LYS A 31 9.456 15.649 0.253 1.00 25.12 H new ATOM 0 HD2 LYS A 31 10.546 13.447 0.249 1.00 14.14 H new ATOM 0 HD3 LYS A 31 11.942 14.092 1.087 1.00 14.14 H new ATOM 0 HE2 LYS A 31 9.124 13.960 2.248 1.00 54.24 H new ATOM 0 HE3 LYS A 31 10.403 12.812 2.588 1.00 54.24 H new ATOM 0 HZ1 LYS A 31 10.376 14.351 4.336 1.00 12.45 H new ATOM 0 HZ2 LYS A 31 11.737 14.747 3.400 1.00 12.45 H new ATOM 0 HZ3 LYS A 31 10.326 15.686 3.287 1.00 12.45 H new ATOM 628 N GLY A 32 8.705 14.206 -2.419 1.00 25.23 N ATOM 629 CA GLY A 32 8.049 12.923 -2.668 1.00 2.20 C ATOM 630 C GLY A 32 7.856 12.673 -4.173 1.00 32.41 C ATOM 631 O GLY A 32 7.965 11.525 -4.603 1.00 51.50 O ATOM 0 H GLY A 32 8.047 14.970 -2.266 1.00 25.23 H new ATOM 0 HA2 GLY A 32 8.645 12.118 -2.238 1.00 2.20 H new ATOM 0 HA3 GLY A 32 7.081 12.905 -2.168 1.00 2.20 H new ATOM 635 N LYS A 33 7.575 13.725 -4.968 1.00 23.43 N ATOM 636 CA LYS A 33 7.454 13.654 -6.430 1.00 13.23 C ATOM 637 C LYS A 33 8.808 13.761 -7.147 1.00 61.53 C ATOM 638 O LYS A 33 8.958 13.133 -8.195 1.00 51.30 O ATOM 639 CB LYS A 33 6.440 14.687 -6.978 1.00 51.13 C ATOM 640 CG LYS A 33 6.669 16.164 -6.588 1.00 0.44 C ATOM 641 CD LYS A 33 6.699 17.156 -7.759 1.00 73.42 C ATOM 642 CE LYS A 33 7.977 17.061 -8.604 1.00 35.11 C ATOM 643 NZ LYS A 33 8.000 18.101 -9.645 1.00 72.55 N1+ ATOM 0 H LYS A 33 7.424 14.664 -4.600 1.00 23.43 H new ATOM 0 HA LYS A 33 7.063 12.661 -6.651 1.00 13.23 H new ATOM 0 HB2 LYS A 33 6.441 14.619 -8.066 1.00 51.13 H new ATOM 0 HB3 LYS A 33 5.445 14.397 -6.641 1.00 51.13 H new ATOM 0 HG2 LYS A 33 5.882 16.466 -5.898 1.00 0.44 H new ATOM 0 HG3 LYS A 33 7.613 16.237 -6.047 1.00 0.44 H new ATOM 0 HD2 LYS A 33 5.835 16.978 -8.399 1.00 73.42 H new ATOM 0 HD3 LYS A 33 6.604 18.170 -7.370 1.00 73.42 H new ATOM 0 HE2 LYS A 33 8.851 17.166 -7.961 1.00 35.11 H new ATOM 0 HE3 LYS A 33 8.038 16.076 -9.067 1.00 35.11 H new ATOM 0 HZ1 LYS A 33 8.874 18.015 -10.202 1.00 72.55 H new ATOM 0 HZ2 LYS A 33 7.178 17.984 -10.271 1.00 72.55 H new ATOM 0 HZ3 LYS A 33 7.965 19.040 -9.199 1.00 72.55 H new ATOM 657 N ASP A 34 9.758 14.537 -6.591 1.00 50.54 N ATOM 658 CA ASP A 34 11.102 14.706 -7.148 1.00 73.22 C ATOM 659 C ASP A 34 11.933 13.426 -6.951 1.00 31.32 C ATOM 660 O ASP A 34 12.369 12.836 -7.941 1.00 61.12 O ATOM 661 CB ASP A 34 11.826 15.951 -6.576 1.00 22.05 C ATOM 662 CG ASP A 34 13.209 16.228 -7.182 1.00 5.32 C ATOM 663 OD1 ASP A 34 13.368 15.997 -8.402 1.00 31.22 O ATOM 664 OD2 ASP A 34 14.058 16.752 -6.430 1.00 3.34 O1- ATOM 0 H ASP A 34 9.606 15.067 -5.733 1.00 50.54 H new ATOM 0 HA ASP A 34 10.993 14.881 -8.218 1.00 73.22 H new ATOM 0 HB2 ASP A 34 11.194 16.825 -6.734 1.00 22.05 H new ATOM 0 HB3 ASP A 34 11.935 15.827 -5.499 1.00 22.05 H new ATOM 669 N ILE A 35 12.127 13.025 -5.683 1.00 12.23 N ATOM 670 CA ILE A 35 12.926 11.853 -5.342 1.00 41.32 C ATOM 671 C ILE A 35 12.088 10.584 -5.560 1.00 25.42 C ATOM 672 O ILE A 35 11.093 10.364 -4.868 1.00 2.34 O ATOM 673 CB ILE A 35 13.445 11.865 -3.875 1.00 45.03 C ATOM 674 CG1 ILE A 35 14.146 13.192 -3.498 1.00 53.41 C ATOM 675 CG2 ILE A 35 14.358 10.655 -3.566 1.00 41.45 C ATOM 676 CD1 ILE A 35 15.305 13.603 -4.417 1.00 5.42 C ATOM 0 H ILE A 35 11.733 13.507 -4.875 1.00 12.23 H new ATOM 0 HA ILE A 35 13.799 11.870 -5.994 1.00 41.32 H new ATOM 0 HB ILE A 35 12.556 11.780 -3.250 1.00 45.03 H new ATOM 0 HG12 ILE A 35 13.403 13.990 -3.498 1.00 53.41 H new ATOM 0 HG13 ILE A 35 14.524 13.108 -2.479 1.00 53.41 H new ATOM 0 HG21 ILE A 35 14.695 10.708 -2.531 1.00 41.45 H new ATOM 0 HG22 ILE A 35 13.801 9.731 -3.719 1.00 41.45 H new ATOM 0 HG23 ILE A 35 15.222 10.672 -4.230 1.00 41.45 H new ATOM 0 HD11 ILE A 35 15.729 14.545 -4.069 1.00 5.42 H new ATOM 0 HD12 ILE A 35 16.074 12.831 -4.400 1.00 5.42 H new ATOM 0 HD13 ILE A 35 14.936 13.726 -5.435 1.00 5.42 H new ATOM 688 N LYS A 36 12.543 9.778 -6.529 1.00 22.42 N ATOM 689 CA LYS A 36 12.029 8.453 -6.842 1.00 71.21 C ATOM 690 C LYS A 36 12.337 7.496 -5.676 1.00 4.44 C ATOM 691 O LYS A 36 13.504 7.199 -5.422 1.00 43.34 O ATOM 692 CB LYS A 36 12.626 8.035 -8.207 1.00 63.15 C ATOM 693 CG LYS A 36 12.221 6.641 -8.719 1.00 0.11 C ATOM 694 CD LYS A 36 13.242 5.528 -8.415 1.00 54.43 C ATOM 695 CE LYS A 36 14.386 5.488 -9.437 1.00 3.34 C ATOM 696 NZ LYS A 36 15.393 4.475 -9.083 1.00 51.25 N1+ ATOM 0 H LYS A 36 13.314 10.051 -7.139 1.00 22.42 H new ATOM 0 HA LYS A 36 10.944 8.431 -6.946 1.00 71.21 H new ATOM 0 HB2 LYS A 36 12.332 8.774 -8.952 1.00 63.15 H new ATOM 0 HB3 LYS A 36 13.713 8.072 -8.133 1.00 63.15 H new ATOM 0 HG2 LYS A 36 11.263 6.369 -8.276 1.00 0.11 H new ATOM 0 HG3 LYS A 36 12.070 6.693 -9.797 1.00 0.11 H new ATOM 0 HD2 LYS A 36 13.655 5.680 -7.418 1.00 54.43 H new ATOM 0 HD3 LYS A 36 12.733 4.564 -8.406 1.00 54.43 H new ATOM 0 HE2 LYS A 36 13.983 5.271 -10.426 1.00 3.34 H new ATOM 0 HE3 LYS A 36 14.859 6.468 -9.493 1.00 3.34 H new ATOM 0 HZ1 LYS A 36 16.326 4.778 -9.427 1.00 51.25 H new ATOM 0 HZ2 LYS A 36 15.425 4.363 -8.050 1.00 51.25 H new ATOM 0 HZ3 LYS A 36 15.141 3.567 -9.522 1.00 51.25 H new ATOM 710 N GLY A 37 11.275 7.083 -4.967 1.00 2.05 N ATOM 711 CA GLY A 37 11.346 6.243 -3.771 1.00 32.21 C ATOM 712 C GLY A 37 11.623 4.774 -4.119 1.00 11.23 C ATOM 713 O GLY A 37 11.788 4.396 -5.280 1.00 34.23 O ATOM 0 H GLY A 37 10.319 7.333 -5.220 1.00 2.05 H new ATOM 0 HA2 GLY A 37 12.131 6.614 -3.113 1.00 32.21 H new ATOM 0 HA3 GLY A 37 10.408 6.315 -3.221 1.00 32.21 H new ATOM 717 N VAL A 38 11.673 3.944 -3.070 1.00 23.15 N ATOM 718 CA VAL A 38 11.879 2.498 -3.147 1.00 73.42 C ATOM 719 C VAL A 38 10.891 1.803 -2.191 1.00 44.22 C ATOM 720 O VAL A 38 10.365 2.432 -1.275 1.00 3.40 O ATOM 721 CB VAL A 38 13.362 2.121 -2.817 1.00 61.42 C ATOM 722 CG1 VAL A 38 13.644 0.617 -2.611 1.00 1.10 C ATOM 723 CG2 VAL A 38 14.334 2.668 -3.880 1.00 41.14 C ATOM 0 H VAL A 38 11.567 4.276 -2.111 1.00 23.15 H new ATOM 0 HA VAL A 38 11.689 2.157 -4.165 1.00 73.42 H new ATOM 0 HB VAL A 38 13.531 2.597 -1.851 1.00 61.42 H new ATOM 0 HG11 VAL A 38 14.701 0.472 -2.388 1.00 1.10 H new ATOM 0 HG12 VAL A 38 13.044 0.245 -1.781 1.00 1.10 H new ATOM 0 HG13 VAL A 38 13.386 0.071 -3.518 1.00 1.10 H new ATOM 0 HG21 VAL A 38 15.354 2.387 -3.619 1.00 41.14 H new ATOM 0 HG22 VAL A 38 14.081 2.250 -4.854 1.00 41.14 H new ATOM 0 HG23 VAL A 38 14.255 3.754 -3.920 1.00 41.14 H new ATOM 733 N SER A 39 10.620 0.519 -2.445 1.00 55.12 N ATOM 734 CA SER A 39 9.770 -0.333 -1.630 1.00 32.20 C ATOM 735 C SER A 39 10.326 -1.759 -1.618 1.00 25.20 C ATOM 736 O SER A 39 10.864 -2.212 -2.625 1.00 12.25 O ATOM 737 CB SER A 39 8.331 -0.302 -2.182 1.00 61.43 C ATOM 738 OG SER A 39 7.624 0.797 -1.645 1.00 30.44 O ATOM 0 H SER A 39 11.004 0.033 -3.255 1.00 55.12 H new ATOM 0 HA SER A 39 9.754 0.034 -0.604 1.00 32.20 H new ATOM 0 HB2 SER A 39 8.353 -0.233 -3.270 1.00 61.43 H new ATOM 0 HB3 SER A 39 7.818 -1.231 -1.932 1.00 61.43 H new ATOM 0 HG SER A 39 8.251 1.524 -1.447 1.00 30.44 H new ATOM 744 N GLU A 40 10.155 -2.451 -0.486 1.00 0.52 N ATOM 745 CA GLU A 40 10.539 -3.845 -0.298 1.00 41.33 C ATOM 746 C GLU A 40 9.332 -4.606 0.254 1.00 33.01 C ATOM 747 O GLU A 40 8.621 -4.086 1.113 1.00 10.34 O ATOM 748 CB GLU A 40 11.774 -3.910 0.618 1.00 3.20 C ATOM 749 CG GLU A 40 12.330 -5.330 0.847 1.00 1.11 C ATOM 750 CD GLU A 40 13.599 -5.332 1.705 1.00 53.23 C ATOM 751 OE1 GLU A 40 14.445 -4.435 1.495 1.00 2.42 O ATOM 752 OE2 GLU A 40 13.705 -6.245 2.552 1.00 22.13 O1- ATOM 0 H GLU A 40 9.733 -2.040 0.346 1.00 0.52 H new ATOM 0 HA GLU A 40 10.823 -4.318 -1.238 1.00 41.33 H new ATOM 0 HB2 GLU A 40 12.561 -3.291 0.189 1.00 3.20 H new ATOM 0 HB3 GLU A 40 11.517 -3.475 1.584 1.00 3.20 H new ATOM 0 HG2 GLU A 40 11.568 -5.942 1.330 1.00 1.11 H new ATOM 0 HG3 GLU A 40 12.546 -5.792 -0.116 1.00 1.11 H new ATOM 759 N ILE A 41 9.123 -5.817 -0.272 1.00 21.23 N ATOM 760 CA ILE A 41 7.969 -6.649 0.038 1.00 11.11 C ATOM 761 C ILE A 41 8.517 -8.013 0.489 1.00 1.33 C ATOM 762 O ILE A 41 9.407 -8.545 -0.177 1.00 2.42 O ATOM 763 CB ILE A 41 7.056 -6.858 -1.210 1.00 14.45 C ATOM 764 CG1 ILE A 41 6.849 -5.557 -2.030 1.00 73.42 C ATOM 765 CG2 ILE A 41 5.690 -7.412 -0.768 1.00 42.00 C ATOM 766 CD1 ILE A 41 6.011 -5.736 -3.303 1.00 72.04 C ATOM 0 H ILE A 41 9.766 -6.249 -0.936 1.00 21.23 H new ATOM 0 HA ILE A 41 7.366 -6.168 0.808 1.00 11.11 H new ATOM 0 HB ILE A 41 7.563 -7.571 -1.860 1.00 14.45 H new ATOM 0 HG12 ILE A 41 6.367 -4.814 -1.394 1.00 73.42 H new ATOM 0 HG13 ILE A 41 7.825 -5.157 -2.305 1.00 73.42 H new ATOM 0 HG21 ILE A 41 5.056 -7.556 -1.643 1.00 42.00 H new ATOM 0 HG22 ILE A 41 5.831 -8.366 -0.261 1.00 42.00 H new ATOM 0 HG23 ILE A 41 5.214 -6.706 -0.087 1.00 42.00 H new ATOM 0 HD11 ILE A 41 5.917 -4.778 -3.814 1.00 72.04 H new ATOM 0 HD12 ILE A 41 6.500 -6.453 -3.963 1.00 72.04 H new ATOM 0 HD13 ILE A 41 5.020 -6.105 -3.038 1.00 72.04 H new ATOM 778 N VAL A 42 8.026 -8.528 1.630 1.00 51.41 N ATOM 779 CA VAL A 42 8.557 -9.743 2.251 1.00 23.01 C ATOM 780 C VAL A 42 7.398 -10.593 2.805 1.00 3.20 C ATOM 781 O VAL A 42 7.016 -10.442 3.967 1.00 70.04 O ATOM 782 CB VAL A 42 9.583 -9.440 3.395 1.00 64.41 C ATOM 783 CG1 VAL A 42 10.219 -10.714 3.990 1.00 21.22 C ATOM 784 CG2 VAL A 42 10.698 -8.466 2.969 1.00 14.34 C ATOM 0 H VAL A 42 7.250 -8.110 2.143 1.00 51.41 H new ATOM 0 HA VAL A 42 9.092 -10.292 1.476 1.00 23.01 H new ATOM 0 HB VAL A 42 8.985 -8.959 4.168 1.00 64.41 H new ATOM 0 HG11 VAL A 42 10.920 -10.437 4.777 1.00 21.22 H new ATOM 0 HG12 VAL A 42 9.438 -11.350 4.407 1.00 21.22 H new ATOM 0 HG13 VAL A 42 10.749 -11.256 3.207 1.00 21.22 H new ATOM 0 HG21 VAL A 42 11.375 -8.298 3.807 1.00 14.34 H new ATOM 0 HG22 VAL A 42 11.254 -8.892 2.134 1.00 14.34 H new ATOM 0 HG23 VAL A 42 10.256 -7.517 2.665 1.00 14.34 H new ATOM 794 N GLN A 43 6.872 -11.497 1.960 1.00 45.20 N ATOM 795 CA GLN A 43 5.965 -12.560 2.385 1.00 44.04 C ATOM 796 C GLN A 43 6.750 -13.681 3.083 1.00 71.32 C ATOM 797 O GLN A 43 7.799 -14.096 2.589 1.00 74.35 O ATOM 798 CB GLN A 43 5.143 -13.081 1.191 1.00 3.31 C ATOM 799 CG GLN A 43 4.120 -14.175 1.576 1.00 64.03 C ATOM 800 CD GLN A 43 3.267 -14.672 0.410 1.00 22.32 C ATOM 801 OE1 GLN A 43 3.547 -14.390 -0.752 1.00 11.34 O ATOM 802 NE2 GLN A 43 2.226 -15.444 0.724 1.00 42.23 N ATOM 0 H GLN A 43 7.070 -11.505 0.959 1.00 45.20 H new ATOM 0 HA GLN A 43 5.257 -12.157 3.109 1.00 44.04 H new ATOM 0 HB2 GLN A 43 4.614 -12.246 0.732 1.00 3.31 H new ATOM 0 HB3 GLN A 43 5.823 -13.480 0.438 1.00 3.31 H new ATOM 0 HG2 GLN A 43 4.655 -15.021 2.007 1.00 64.03 H new ATOM 0 HG3 GLN A 43 3.462 -13.785 2.352 1.00 64.03 H new ATOM 0 HE21 GLN A 43 2.025 -15.656 1.701 1.00 42.23 H new ATOM 0 HE22 GLN A 43 1.631 -15.822 -0.013 1.00 42.23 H new ATOM 811 N ASN A 44 6.192 -14.157 4.202 1.00 2.11 N ATOM 812 CA ASN A 44 6.717 -15.246 5.015 1.00 73.01 C ATOM 813 C ASN A 44 5.522 -16.085 5.489 1.00 14.21 C ATOM 814 O ASN A 44 5.049 -15.931 6.615 1.00 13.54 O ATOM 815 CB ASN A 44 7.681 -14.714 6.115 1.00 31.31 C ATOM 816 CG ASN A 44 7.129 -13.648 7.073 1.00 43.35 C ATOM 817 OD1 ASN A 44 6.801 -13.957 8.215 1.00 51.43 O ATOM 818 ND2 ASN A 44 7.050 -12.388 6.632 1.00 60.41 N ATOM 0 H ASN A 44 5.325 -13.773 4.577 1.00 2.11 H new ATOM 0 HA ASN A 44 7.361 -15.919 4.448 1.00 73.01 H new ATOM 0 HB2 ASN A 44 8.016 -15.563 6.711 1.00 31.31 H new ATOM 0 HB3 ASN A 44 8.562 -14.303 5.623 1.00 31.31 H new ATOM 0 HD21 ASN A 44 6.710 -11.652 7.250 1.00 60.41 H new ATOM 0 HD22 ASN A 44 7.330 -12.163 5.677 1.00 60.41 H new ATOM 825 N GLY A 45 5.029 -16.939 4.574 1.00 43.22 N ATOM 826 CA GLY A 45 3.836 -17.761 4.770 1.00 0.52 C ATOM 827 C GLY A 45 2.593 -16.864 4.742 1.00 45.51 C ATOM 828 O GLY A 45 2.384 -16.117 3.784 1.00 72.23 O ATOM 0 H GLY A 45 5.463 -17.075 3.661 1.00 43.22 H new ATOM 0 HA2 GLY A 45 3.770 -18.518 3.989 1.00 0.52 H new ATOM 0 HA3 GLY A 45 3.896 -18.289 5.722 1.00 0.52 H new ATOM 832 N LYS A 46 1.773 -16.959 5.800 1.00 30.04 N ATOM 833 CA LYS A 46 0.607 -16.104 6.036 1.00 51.45 C ATOM 834 C LYS A 46 0.944 -14.637 6.357 1.00 0.32 C ATOM 835 O LYS A 46 0.134 -13.771 6.025 1.00 74.42 O ATOM 836 CB LYS A 46 -0.273 -16.729 7.145 1.00 21.31 C ATOM 837 CG LYS A 46 -1.399 -17.643 6.636 1.00 1.33 C ATOM 838 CD LYS A 46 -2.429 -16.893 5.767 1.00 73.32 C ATOM 839 CE LYS A 46 -3.841 -17.494 5.807 1.00 1.34 C ATOM 840 NZ LYS A 46 -4.502 -17.235 7.099 1.00 43.32 N1+ ATOM 0 H LYS A 46 1.910 -17.654 6.534 1.00 30.04 H new ATOM 0 HA LYS A 46 0.058 -16.062 5.095 1.00 51.45 H new ATOM 0 HB2 LYS A 46 0.366 -17.303 7.816 1.00 21.31 H new ATOM 0 HB3 LYS A 46 -0.715 -15.926 7.735 1.00 21.31 H new ATOM 0 HG2 LYS A 46 -0.966 -18.458 6.056 1.00 1.33 H new ATOM 0 HG3 LYS A 46 -1.908 -18.094 7.488 1.00 1.33 H new ATOM 0 HD2 LYS A 46 -2.478 -15.855 6.096 1.00 73.32 H new ATOM 0 HD3 LYS A 46 -2.079 -16.884 4.735 1.00 73.32 H new ATOM 0 HE2 LYS A 46 -4.440 -17.072 5.000 1.00 1.34 H new ATOM 0 HE3 LYS A 46 -3.785 -18.569 5.635 1.00 1.34 H new ATOM 0 HZ1 LYS A 46 -5.440 -17.683 7.105 1.00 43.32 H new ATOM 0 HZ2 LYS A 46 -3.925 -17.629 7.869 1.00 43.32 H new ATOM 0 HZ3 LYS A 46 -4.608 -16.209 7.236 1.00 43.32 H new ATOM 854 N HIS A 47 2.113 -14.376 6.972 1.00 24.14 N ATOM 855 CA HIS A 47 2.608 -13.021 7.224 1.00 22.41 C ATOM 856 C HIS A 47 3.136 -12.365 5.936 1.00 14.04 C ATOM 857 O HIS A 47 3.610 -13.050 5.032 1.00 43.50 O ATOM 858 CB HIS A 47 3.687 -13.027 8.333 1.00 50.02 C ATOM 859 CG HIS A 47 3.310 -12.342 9.627 1.00 12.30 C ATOM 860 ND1 HIS A 47 2.720 -11.089 9.684 1.00 34.41 N ATOM 861 CD2 HIS A 47 3.459 -12.733 10.939 1.00 74.35 C ATOM 862 CE1 HIS A 47 2.547 -10.789 10.972 1.00 74.35 C ATOM 863 NE2 HIS A 47 2.971 -11.741 11.794 1.00 65.34 N ATOM 0 H HIS A 47 2.740 -15.108 7.308 1.00 24.14 H new ATOM 0 HA HIS A 47 1.768 -12.420 7.573 1.00 22.41 H new ATOM 0 HB2 HIS A 47 3.946 -14.062 8.555 1.00 50.02 H new ATOM 0 HB3 HIS A 47 4.586 -12.551 7.941 1.00 50.02 H new ATOM 0 HD1 HIS A 47 2.465 -10.504 8.888 1.00 34.41 H new ATOM 0 HD2 HIS A 47 3.890 -13.670 11.260 1.00 74.35 H new ATOM 0 HE1 HIS A 47 2.106 -9.864 11.312 1.00 74.35 H new ATOM 871 N PHE A 48 3.043 -11.033 5.910 1.00 64.22 N ATOM 872 CA PHE A 48 3.431 -10.167 4.808 1.00 21.45 C ATOM 873 C PHE A 48 3.940 -8.858 5.413 1.00 13.42 C ATOM 874 O PHE A 48 3.296 -8.322 6.312 1.00 2.42 O ATOM 875 CB PHE A 48 2.202 -9.954 3.898 1.00 52.14 C ATOM 876 CG PHE A 48 2.385 -9.082 2.664 1.00 13.14 C ATOM 877 CD1 PHE A 48 2.401 -9.668 1.382 1.00 75.01 C ATOM 878 CD2 PHE A 48 2.556 -7.684 2.774 1.00 65.05 C ATOM 879 CE1 PHE A 48 2.496 -8.858 0.261 1.00 13.00 C ATOM 880 CE2 PHE A 48 2.664 -6.902 1.635 1.00 52.34 C ATOM 881 CZ PHE A 48 2.614 -7.484 0.381 1.00 60.00 C ATOM 0 H PHE A 48 2.674 -10.507 6.703 1.00 64.22 H new ATOM 0 HA PHE A 48 4.223 -10.599 4.196 1.00 21.45 H new ATOM 0 HB2 PHE A 48 1.853 -10.933 3.570 1.00 52.14 H new ATOM 0 HB3 PHE A 48 1.407 -9.518 4.503 1.00 52.14 H new ATOM 0 HD1 PHE A 48 2.340 -10.741 1.274 1.00 75.01 H new ATOM 0 HD2 PHE A 48 2.603 -7.223 3.749 1.00 65.05 H new ATOM 0 HE1 PHE A 48 2.478 -9.306 -0.722 1.00 13.00 H new ATOM 0 HE2 PHE A 48 2.788 -5.833 1.727 1.00 52.34 H new ATOM 0 HZ PHE A 48 2.667 -6.867 -0.504 1.00 60.00 H new ATOM 891 N LYS A 49 5.045 -8.344 4.861 1.00 3.35 N ATOM 892 CA LYS A 49 5.611 -7.051 5.224 1.00 52.41 C ATOM 893 C LYS A 49 5.677 -6.169 3.970 1.00 72.32 C ATOM 894 O LYS A 49 5.915 -6.683 2.877 1.00 11.52 O ATOM 895 CB LYS A 49 7.003 -7.285 5.839 1.00 41.21 C ATOM 896 CG LYS A 49 7.498 -6.131 6.720 1.00 22.14 C ATOM 897 CD LYS A 49 8.840 -6.451 7.391 1.00 12.30 C ATOM 898 CE LYS A 49 9.221 -5.417 8.457 1.00 43.24 C ATOM 899 NZ LYS A 49 10.513 -5.747 9.079 1.00 54.54 N1+ ATOM 0 H LYS A 49 5.576 -8.828 4.137 1.00 3.35 H new ATOM 0 HA LYS A 49 4.993 -6.538 5.961 1.00 52.41 H new ATOM 0 HB2 LYS A 49 6.977 -8.198 6.434 1.00 41.21 H new ATOM 0 HB3 LYS A 49 7.721 -7.449 5.035 1.00 41.21 H new ATOM 0 HG2 LYS A 49 7.602 -5.231 6.113 1.00 22.14 H new ATOM 0 HG3 LYS A 49 6.753 -5.915 7.486 1.00 22.14 H new ATOM 0 HD2 LYS A 49 8.788 -7.439 7.849 1.00 12.30 H new ATOM 0 HD3 LYS A 49 9.622 -6.492 6.633 1.00 12.30 H new ATOM 0 HE2 LYS A 49 9.274 -4.427 8.005 1.00 43.24 H new ATOM 0 HE3 LYS A 49 8.446 -5.377 9.222 1.00 43.24 H new ATOM 0 HZ1 LYS A 49 10.746 -5.031 9.796 1.00 54.54 H new ATOM 0 HZ2 LYS A 49 10.452 -6.682 9.530 1.00 54.54 H new ATOM 0 HZ3 LYS A 49 11.255 -5.762 8.351 1.00 54.54 H new ATOM 913 N PHE A 50 5.476 -4.859 4.167 1.00 44.13 N ATOM 914 CA PHE A 50 5.607 -3.840 3.132 1.00 1.25 C ATOM 915 C PHE A 50 6.407 -2.698 3.771 1.00 11.43 C ATOM 916 O PHE A 50 5.860 -1.930 4.563 1.00 12.42 O ATOM 917 CB PHE A 50 4.203 -3.386 2.647 1.00 51.44 C ATOM 918 CG PHE A 50 4.078 -3.083 1.158 1.00 4.32 C ATOM 919 CD1 PHE A 50 5.101 -2.416 0.445 1.00 73.22 C ATOM 920 CD2 PHE A 50 2.850 -3.328 0.501 1.00 72.15 C ATOM 921 CE1 PHE A 50 4.921 -2.096 -0.895 1.00 21.11 C ATOM 922 CE2 PHE A 50 2.693 -3.005 -0.841 1.00 61.23 C ATOM 923 CZ PHE A 50 3.729 -2.399 -1.539 1.00 22.42 C ATOM 0 H PHE A 50 5.212 -4.475 5.074 1.00 44.13 H new ATOM 0 HA PHE A 50 6.122 -4.209 2.245 1.00 1.25 H new ATOM 0 HB2 PHE A 50 3.483 -4.164 2.901 1.00 51.44 H new ATOM 0 HB3 PHE A 50 3.918 -2.494 3.205 1.00 51.44 H new ATOM 0 HD1 PHE A 50 6.023 -2.155 0.943 1.00 73.22 H new ATOM 0 HD2 PHE A 50 2.029 -3.769 1.046 1.00 72.15 H new ATOM 0 HE1 PHE A 50 5.715 -1.607 -1.440 1.00 21.11 H new ATOM 0 HE2 PHE A 50 1.762 -3.226 -1.343 1.00 61.23 H new ATOM 0 HZ PHE A 50 3.607 -2.163 -2.586 1.00 22.42 H new ATOM 933 N THR A 51 7.692 -2.623 3.408 1.00 53.25 N ATOM 934 CA THR A 51 8.576 -1.502 3.709 1.00 42.45 C ATOM 935 C THR A 51 8.537 -0.521 2.528 1.00 21.42 C ATOM 936 O THR A 51 8.521 -0.958 1.378 1.00 40.20 O ATOM 937 CB THR A 51 10.036 -1.980 3.909 1.00 72.25 C ATOM 938 OG1 THR A 51 10.096 -2.894 4.987 1.00 1.10 O ATOM 939 CG2 THR A 51 11.076 -0.869 4.163 1.00 30.11 C ATOM 0 H THR A 51 8.155 -3.364 2.882 1.00 53.25 H new ATOM 0 HA THR A 51 8.238 -1.026 4.629 1.00 42.45 H new ATOM 0 HB THR A 51 10.306 -2.437 2.957 1.00 72.25 H new ATOM 0 HG1 THR A 51 11.020 -3.195 5.109 1.00 1.10 H new ATOM 0 HG21 THR A 51 12.062 -1.316 4.289 1.00 30.11 H new ATOM 0 HG22 THR A 51 11.093 -0.185 3.314 1.00 30.11 H new ATOM 0 HG23 THR A 51 10.809 -0.320 5.066 1.00 30.11 H new ATOM 947 N ILE A 52 8.502 0.781 2.838 1.00 41.33 N ATOM 948 CA ILE A 52 8.435 1.864 1.868 1.00 54.14 C ATOM 949 C ILE A 52 9.451 2.936 2.291 1.00 24.44 C ATOM 950 O ILE A 52 9.258 3.608 3.306 1.00 45.15 O ATOM 951 CB ILE A 52 7.017 2.517 1.781 1.00 74.01 C ATOM 952 CG1 ILE A 52 5.904 1.482 1.474 1.00 20.40 C ATOM 953 CG2 ILE A 52 6.972 3.644 0.724 1.00 55.04 C ATOM 954 CD1 ILE A 52 5.261 0.857 2.724 1.00 33.33 C ATOM 0 H ILE A 52 8.520 1.113 3.802 1.00 41.33 H new ATOM 0 HA ILE A 52 8.657 1.452 0.884 1.00 54.14 H new ATOM 0 HB ILE A 52 6.826 2.942 2.767 1.00 74.01 H new ATOM 0 HG12 ILE A 52 5.127 1.966 0.883 1.00 20.40 H new ATOM 0 HG13 ILE A 52 6.323 0.686 0.859 1.00 20.40 H new ATOM 0 HG21 ILE A 52 5.971 4.074 0.693 1.00 55.04 H new ATOM 0 HG22 ILE A 52 7.691 4.419 0.988 1.00 55.04 H new ATOM 0 HG23 ILE A 52 7.222 3.235 -0.255 1.00 55.04 H new ATOM 0 HD11 ILE A 52 4.493 0.145 2.421 1.00 33.33 H new ATOM 0 HD12 ILE A 52 6.024 0.341 3.307 1.00 33.33 H new ATOM 0 HD13 ILE A 52 4.809 1.641 3.331 1.00 33.33 H new ATOM 966 N THR A 53 10.501 3.082 1.476 1.00 22.12 N ATOM 967 CA THR A 53 11.472 4.164 1.555 1.00 13.34 C ATOM 968 C THR A 53 10.942 5.360 0.741 1.00 63.33 C ATOM 969 O THR A 53 10.933 5.320 -0.490 1.00 3.11 O ATOM 970 CB THR A 53 12.847 3.728 0.986 1.00 54.14 C ATOM 971 OG1 THR A 53 13.337 2.634 1.736 1.00 44.35 O ATOM 972 CG2 THR A 53 13.933 4.820 0.975 1.00 4.54 C ATOM 0 H THR A 53 10.699 2.426 0.721 1.00 22.12 H new ATOM 0 HA THR A 53 11.609 4.437 2.601 1.00 13.34 H new ATOM 0 HB THR A 53 12.654 3.474 -0.056 1.00 54.14 H new ATOM 0 HG1 THR A 53 14.205 2.355 1.378 1.00 44.35 H new ATOM 0 HG21 THR A 53 14.854 4.413 0.559 1.00 4.54 H new ATOM 0 HG22 THR A 53 13.599 5.659 0.365 1.00 4.54 H new ATOM 0 HG23 THR A 53 14.115 5.162 1.994 1.00 4.54 H new ATOM 980 N ALA A 54 10.507 6.406 1.460 1.00 2.35 N ATOM 981 CA ALA A 54 10.138 7.717 0.927 1.00 30.14 C ATOM 982 C ALA A 54 11.378 8.540 0.514 1.00 24.35 C ATOM 983 O ALA A 54 12.496 8.021 0.531 1.00 5.40 O ATOM 984 CB ALA A 54 9.292 8.437 1.990 1.00 75.44 C ATOM 0 H ALA A 54 10.400 6.354 2.473 1.00 2.35 H new ATOM 0 HA ALA A 54 9.554 7.596 0.015 1.00 30.14 H new ATOM 0 HB1 ALA A 54 9.002 9.420 1.619 1.00 75.44 H new ATOM 0 HB2 ALA A 54 8.398 7.851 2.202 1.00 75.44 H new ATOM 0 HB3 ALA A 54 9.876 8.552 2.903 1.00 75.44 H new ATOM 990 N GLY A 55 11.160 9.813 0.134 1.00 72.42 N ATOM 991 CA GLY A 55 12.185 10.711 -0.415 1.00 34.33 C ATOM 992 C GLY A 55 13.405 10.930 0.502 1.00 33.32 C ATOM 993 O GLY A 55 14.513 11.075 -0.009 1.00 61.42 O ATOM 0 H GLY A 55 10.242 10.253 0.203 1.00 72.42 H new ATOM 0 HA2 GLY A 55 12.530 10.308 -1.367 1.00 34.33 H new ATOM 0 HA3 GLY A 55 11.727 11.678 -0.626 1.00 34.33 H new ATOM 997 N SER A 56 13.218 10.892 1.833 1.00 24.25 N ATOM 998 CA SER A 56 14.291 10.823 2.832 1.00 51.21 C ATOM 999 C SER A 56 13.705 10.350 4.179 1.00 11.32 C ATOM 1000 O SER A 56 13.964 10.947 5.224 1.00 13.10 O ATOM 1001 CB SER A 56 15.088 12.151 2.907 1.00 20.12 C ATOM 1002 OG SER A 56 16.265 12.002 3.678 1.00 2.14 O ATOM 0 H SER A 56 12.288 10.909 2.252 1.00 24.25 H new ATOM 0 HA SER A 56 15.032 10.082 2.533 1.00 51.21 H new ATOM 0 HB2 SER A 56 15.349 12.478 1.901 1.00 20.12 H new ATOM 0 HB3 SER A 56 14.462 12.929 3.343 1.00 20.12 H new ATOM 0 HG SER A 56 16.038 11.618 4.550 1.00 2.14 H new ATOM 1008 N LYS A 57 12.890 9.286 4.116 1.00 73.31 N ATOM 1009 CA LYS A 57 12.196 8.680 5.251 1.00 20.53 C ATOM 1010 C LYS A 57 12.011 7.184 4.967 1.00 63.12 C ATOM 1011 O LYS A 57 12.088 6.773 3.811 1.00 14.45 O ATOM 1012 CB LYS A 57 10.838 9.402 5.480 1.00 73.21 C ATOM 1013 CG LYS A 57 10.718 10.119 6.838 1.00 2.02 C ATOM 1014 CD LYS A 57 10.659 9.200 8.074 1.00 74.54 C ATOM 1015 CE LYS A 57 9.380 8.351 8.153 1.00 51.10 C ATOM 1016 NZ LYS A 57 9.340 7.545 9.386 1.00 41.34 N1+ ATOM 0 H LYS A 57 12.692 8.809 3.236 1.00 73.31 H new ATOM 0 HA LYS A 57 12.779 8.788 6.166 1.00 20.53 H new ATOM 0 HB2 LYS A 57 10.690 10.131 4.684 1.00 73.21 H new ATOM 0 HB3 LYS A 57 10.034 8.671 5.397 1.00 73.21 H new ATOM 0 HG2 LYS A 57 11.567 10.793 6.949 1.00 2.02 H new ATOM 0 HG3 LYS A 57 9.820 10.737 6.824 1.00 2.02 H new ATOM 0 HD2 LYS A 57 11.524 8.537 8.064 1.00 74.54 H new ATOM 0 HD3 LYS A 57 10.735 9.811 8.974 1.00 74.54 H new ATOM 0 HE2 LYS A 57 8.507 9.003 8.115 1.00 51.10 H new ATOM 0 HE3 LYS A 57 9.325 7.693 7.286 1.00 51.10 H new ATOM 0 HZ1 LYS A 57 8.363 7.500 9.740 1.00 41.34 H new ATOM 0 HZ2 LYS A 57 9.679 6.583 9.183 1.00 41.34 H new ATOM 0 HZ3 LYS A 57 9.949 7.982 10.106 1.00 41.34 H new ATOM 1030 N VAL A 58 11.763 6.394 6.022 1.00 22.24 N ATOM 1031 CA VAL A 58 11.438 4.974 5.900 1.00 72.31 C ATOM 1032 C VAL A 58 10.291 4.656 6.872 1.00 12.04 C ATOM 1033 O VAL A 58 10.384 4.982 8.056 1.00 53.43 O ATOM 1034 CB VAL A 58 12.645 4.040 6.222 1.00 15.54 C ATOM 1035 CG1 VAL A 58 12.301 2.543 6.073 1.00 21.52 C ATOM 1036 CG2 VAL A 58 13.876 4.353 5.351 1.00 53.14 C ATOM 0 H VAL A 58 11.783 6.728 6.986 1.00 22.24 H new ATOM 0 HA VAL A 58 11.157 4.788 4.863 1.00 72.31 H new ATOM 0 HB VAL A 58 12.882 4.242 7.266 1.00 15.54 H new ATOM 0 HG11 VAL A 58 13.179 1.943 6.310 1.00 21.52 H new ATOM 0 HG12 VAL A 58 11.491 2.286 6.756 1.00 21.52 H new ATOM 0 HG13 VAL A 58 11.989 2.342 5.048 1.00 21.52 H new ATOM 0 HG21 VAL A 58 14.689 3.676 5.613 1.00 53.14 H new ATOM 0 HG22 VAL A 58 13.620 4.223 4.299 1.00 53.14 H new ATOM 0 HG23 VAL A 58 14.191 5.382 5.523 1.00 53.14 H new ATOM 1046 N ILE A 59 9.243 4.015 6.338 1.00 52.34 N ATOM 1047 CA ILE A 59 8.112 3.468 7.087 1.00 63.31 C ATOM 1048 C ILE A 59 7.964 2.004 6.657 1.00 31.44 C ATOM 1049 O ILE A 59 8.135 1.695 5.479 1.00 30.30 O ATOM 1050 CB ILE A 59 6.777 4.215 6.770 1.00 40.23 C ATOM 1051 CG1 ILE A 59 6.892 5.720 7.107 1.00 32.22 C ATOM 1052 CG2 ILE A 59 5.545 3.603 7.486 1.00 4.45 C ATOM 1053 CD1 ILE A 59 5.667 6.553 6.709 1.00 31.01 C ATOM 0 H ILE A 59 9.160 3.859 5.333 1.00 52.34 H new ATOM 0 HA ILE A 59 8.303 3.578 8.155 1.00 63.31 H new ATOM 0 HB ILE A 59 6.614 4.093 5.699 1.00 40.23 H new ATOM 0 HG12 ILE A 59 7.057 5.828 8.179 1.00 32.22 H new ATOM 0 HG13 ILE A 59 7.771 6.126 6.606 1.00 32.22 H new ATOM 0 HG21 ILE A 59 4.652 4.170 7.222 1.00 4.45 H new ATOM 0 HG22 ILE A 59 5.422 2.566 7.175 1.00 4.45 H new ATOM 0 HG23 ILE A 59 5.694 3.643 8.565 1.00 4.45 H new ATOM 0 HD11 ILE A 59 5.832 7.596 6.981 1.00 31.01 H new ATOM 0 HD12 ILE A 59 5.511 6.479 5.633 1.00 31.01 H new ATOM 0 HD13 ILE A 59 4.786 6.177 7.230 1.00 31.01 H new ATOM 1065 N GLN A 60 7.631 1.132 7.617 1.00 13.05 N ATOM 1066 CA GLN A 60 7.358 -0.277 7.365 1.00 21.24 C ATOM 1067 C GLN A 60 6.154 -0.748 8.175 1.00 24.42 C ATOM 1068 O GLN A 60 6.019 -0.398 9.349 1.00 55.10 O ATOM 1069 CB GLN A 60 8.613 -1.161 7.559 1.00 12.44 C ATOM 1070 CG GLN A 60 9.410 -0.936 8.863 1.00 71.21 C ATOM 1071 CD GLN A 60 10.592 0.018 8.661 1.00 60.43 C ATOM 1072 OE1 GLN A 60 11.520 -0.291 7.916 1.00 22.25 O ATOM 1073 NE2 GLN A 60 10.572 1.172 9.331 1.00 2.35 N ATOM 0 H GLN A 60 7.544 1.394 8.599 1.00 13.05 H new ATOM 0 HA GLN A 60 7.093 -0.387 6.314 1.00 21.24 H new ATOM 0 HB2 GLN A 60 8.305 -2.206 7.521 1.00 12.44 H new ATOM 0 HB3 GLN A 60 9.283 -0.995 6.715 1.00 12.44 H new ATOM 0 HG2 GLN A 60 8.746 -0.533 9.628 1.00 71.21 H new ATOM 0 HG3 GLN A 60 9.777 -1.894 9.232 1.00 71.21 H new ATOM 0 HE21 GLN A 60 9.785 1.394 9.940 1.00 2.35 H new ATOM 0 HE22 GLN A 60 11.344 1.832 9.234 1.00 2.35 H new ATOM 1082 N ASN A 61 5.311 -1.534 7.498 1.00 15.02 N ATOM 1083 CA ASN A 61 4.086 -2.125 8.021 1.00 22.04 C ATOM 1084 C ASN A 61 4.148 -3.637 7.832 1.00 12.24 C ATOM 1085 O ASN A 61 4.871 -4.127 6.965 1.00 1.30 O ATOM 1086 CB ASN A 61 2.871 -1.571 7.251 1.00 74.13 C ATOM 1087 CG ASN A 61 2.677 -0.070 7.443 1.00 14.54 C ATOM 1088 OD1 ASN A 61 2.711 0.421 8.567 1.00 4.23 O ATOM 1089 ND2 ASN A 61 2.454 0.656 6.348 1.00 71.34 N ATOM 0 H ASN A 61 5.477 -1.784 6.523 1.00 15.02 H new ATOM 0 HA ASN A 61 3.986 -1.881 9.079 1.00 22.04 H new ATOM 0 HB2 ASN A 61 2.994 -1.783 6.189 1.00 74.13 H new ATOM 0 HB3 ASN A 61 1.972 -2.093 7.578 1.00 74.13 H new ATOM 0 HD21 ASN A 61 2.303 1.662 6.425 1.00 71.34 H new ATOM 0 HD22 ASN A 61 2.434 0.206 5.433 1.00 71.34 H new ATOM 1096 N GLU A 62 3.348 -4.338 8.644 1.00 11.32 N ATOM 1097 CA GLU A 62 3.252 -5.787 8.629 1.00 10.11 C ATOM 1098 C GLU A 62 1.811 -6.194 8.952 1.00 4.42 C ATOM 1099 O GLU A 62 1.169 -5.574 9.801 1.00 11.11 O ATOM 1100 CB GLU A 62 4.302 -6.359 9.604 1.00 64.34 C ATOM 1101 CG GLU A 62 4.404 -7.892 9.613 1.00 12.24 C ATOM 1102 CD GLU A 62 5.531 -8.360 10.528 1.00 52.11 C ATOM 1103 OE1 GLU A 62 6.650 -8.549 10.002 1.00 25.35 O ATOM 1104 OE2 GLU A 62 5.258 -8.498 11.740 1.00 52.24 O1- ATOM 0 H GLU A 62 2.743 -3.899 9.338 1.00 11.32 H new ATOM 0 HA GLU A 62 3.475 -6.203 7.647 1.00 10.11 H new ATOM 0 HB2 GLU A 62 5.278 -5.945 9.349 1.00 64.34 H new ATOM 0 HB3 GLU A 62 4.065 -6.019 10.612 1.00 64.34 H new ATOM 0 HG2 GLU A 62 3.459 -8.321 9.946 1.00 12.24 H new ATOM 0 HG3 GLU A 62 4.579 -8.254 8.600 1.00 12.24 H new ATOM 1111 N PHE A 63 1.342 -7.244 8.263 1.00 45.12 N ATOM 1112 CA PHE A 63 0.029 -7.840 8.463 1.00 45.42 C ATOM 1113 C PHE A 63 0.073 -9.343 8.192 1.00 52.20 C ATOM 1114 O PHE A 63 0.971 -9.823 7.502 1.00 63.22 O ATOM 1115 CB PHE A 63 -1.041 -7.118 7.607 1.00 33.31 C ATOM 1116 CG PHE A 63 -0.932 -7.229 6.097 1.00 72.14 C ATOM 1117 CD1 PHE A 63 -0.219 -6.257 5.368 1.00 42.32 C ATOM 1118 CD2 PHE A 63 -1.439 -8.362 5.419 1.00 4.21 C ATOM 1119 CE1 PHE A 63 -0.106 -6.373 3.990 1.00 33.11 C ATOM 1120 CE2 PHE A 63 -1.287 -8.473 4.045 1.00 1.52 C ATOM 1121 CZ PHE A 63 -0.636 -7.475 3.334 1.00 51.51 C ATOM 0 H PHE A 63 1.885 -7.708 7.535 1.00 45.12 H new ATOM 0 HA PHE A 63 -0.259 -7.710 9.506 1.00 45.42 H new ATOM 0 HB2 PHE A 63 -2.019 -7.500 7.901 1.00 33.31 H new ATOM 0 HB3 PHE A 63 -1.020 -6.060 7.867 1.00 33.31 H new ATOM 0 HD1 PHE A 63 0.238 -5.424 5.880 1.00 42.32 H new ATOM 0 HD2 PHE A 63 -1.944 -9.141 5.971 1.00 4.21 H new ATOM 0 HE1 PHE A 63 0.397 -5.602 3.425 1.00 33.11 H new ATOM 0 HE2 PHE A 63 -1.676 -9.338 3.528 1.00 1.52 H new ATOM 0 HZ PHE A 63 -0.541 -7.557 2.261 1.00 51.51 H new ATOM 1131 N THR A 64 -0.935 -10.047 8.720 1.00 74.12 N ATOM 1132 CA THR A 64 -1.205 -11.448 8.420 1.00 13.51 C ATOM 1133 C THR A 64 -2.489 -11.511 7.579 1.00 22.02 C ATOM 1134 O THR A 64 -3.480 -10.882 7.952 1.00 1.35 O ATOM 1135 CB THR A 64 -1.427 -12.270 9.714 1.00 73.13 C ATOM 1136 OG1 THR A 64 -0.333 -12.089 10.587 1.00 42.04 O ATOM 1137 CG2 THR A 64 -1.585 -13.781 9.490 1.00 4.13 C ATOM 0 H THR A 64 -1.598 -9.644 9.382 1.00 74.12 H new ATOM 0 HA THR A 64 -0.350 -11.867 7.889 1.00 13.51 H new ATOM 0 HB THR A 64 -2.363 -11.897 10.130 1.00 73.13 H new ATOM 0 HG1 THR A 64 -0.477 -12.609 11.405 1.00 42.04 H new ATOM 0 HG21 THR A 64 -1.736 -14.277 10.449 1.00 4.13 H new ATOM 0 HG22 THR A 64 -2.445 -13.965 8.846 1.00 4.13 H new ATOM 0 HG23 THR A 64 -0.686 -14.174 9.016 1.00 4.13 H new ATOM 1145 N VAL A 65 -2.445 -12.245 6.455 1.00 11.41 N ATOM 1146 CA VAL A 65 -3.578 -12.406 5.539 1.00 33.33 C ATOM 1147 C VAL A 65 -4.724 -13.171 6.236 1.00 61.03 C ATOM 1148 O VAL A 65 -4.531 -14.318 6.640 1.00 22.11 O ATOM 1149 CB VAL A 65 -3.163 -13.157 4.236 1.00 72.44 C ATOM 1150 CG1 VAL A 65 -4.339 -13.462 3.282 1.00 42.20 C ATOM 1151 CG2 VAL A 65 -2.078 -12.388 3.461 1.00 40.35 C ATOM 0 H VAL A 65 -1.609 -12.748 6.156 1.00 11.41 H new ATOM 0 HA VAL A 65 -3.919 -11.409 5.262 1.00 33.33 H new ATOM 0 HB VAL A 65 -2.770 -14.112 4.585 1.00 72.44 H new ATOM 0 HG11 VAL A 65 -3.967 -13.985 2.401 1.00 42.20 H new ATOM 0 HG12 VAL A 65 -5.070 -14.088 3.794 1.00 42.20 H new ATOM 0 HG13 VAL A 65 -4.812 -12.528 2.977 1.00 42.20 H new ATOM 0 HG21 VAL A 65 -1.814 -12.941 2.560 1.00 40.35 H new ATOM 0 HG22 VAL A 65 -2.456 -11.404 3.185 1.00 40.35 H new ATOM 0 HG23 VAL A 65 -1.194 -12.274 4.089 1.00 40.35 H new ATOM 1161 N GLY A 66 -5.877 -12.500 6.389 1.00 55.35 N ATOM 1162 CA GLY A 66 -7.056 -13.043 7.070 1.00 0.44 C ATOM 1163 C GLY A 66 -7.206 -12.520 8.506 1.00 33.05 C ATOM 1164 O GLY A 66 -8.234 -12.809 9.116 1.00 40.34 O ATOM 0 H GLY A 66 -6.015 -11.553 6.037 1.00 55.35 H new ATOM 0 HA2 GLY A 66 -7.949 -12.788 6.500 1.00 0.44 H new ATOM 0 HA3 GLY A 66 -6.990 -14.131 7.089 1.00 0.44 H new ATOM 1168 N GLU A 67 -6.238 -11.748 9.035 1.00 70.23 N ATOM 1169 CA GLU A 67 -6.291 -11.144 10.371 1.00 22.42 C ATOM 1170 C GLU A 67 -6.230 -9.613 10.260 1.00 3.42 C ATOM 1171 O GLU A 67 -5.622 -9.084 9.326 1.00 51.32 O ATOM 1172 CB GLU A 67 -5.112 -11.648 11.236 1.00 4.45 C ATOM 1173 CG GLU A 67 -4.875 -13.175 11.248 1.00 21.52 C ATOM 1174 CD GLU A 67 -6.076 -14.006 11.712 1.00 43.40 C ATOM 1175 OE1 GLU A 67 -6.795 -13.535 12.621 1.00 55.24 O ATOM 1176 OE2 GLU A 67 -6.247 -15.109 11.148 1.00 21.22 O1- ATOM 0 H GLU A 67 -5.380 -11.525 8.531 1.00 70.23 H new ATOM 0 HA GLU A 67 -7.229 -11.434 10.845 1.00 22.42 H new ATOM 0 HB2 GLU A 67 -4.200 -11.163 10.887 1.00 4.45 H new ATOM 0 HB3 GLU A 67 -5.276 -11.319 12.262 1.00 4.45 H new ATOM 0 HG2 GLU A 67 -4.596 -13.494 10.244 1.00 21.52 H new ATOM 0 HG3 GLU A 67 -4.027 -13.392 11.898 1.00 21.52 H new ATOM 1183 N GLU A 68 -6.852 -8.933 11.236 1.00 62.04 N ATOM 1184 CA GLU A 68 -6.899 -7.475 11.337 1.00 12.35 C ATOM 1185 C GLU A 68 -5.571 -6.924 11.883 1.00 34.40 C ATOM 1186 O GLU A 68 -5.137 -7.330 12.961 1.00 15.45 O ATOM 1187 CB GLU A 68 -8.138 -7.059 12.162 1.00 64.11 C ATOM 1188 CG GLU A 68 -8.158 -7.524 13.633 1.00 10.43 C ATOM 1189 CD GLU A 68 -9.510 -7.255 14.290 1.00 23.43 C ATOM 1190 OE1 GLU A 68 -10.311 -8.212 14.353 1.00 32.13 O ATOM 1191 OE2 GLU A 68 -9.720 -6.098 14.716 1.00 13.42 O1- ATOM 0 H GLU A 68 -7.348 -9.400 11.995 1.00 62.04 H new ATOM 0 HA GLU A 68 -7.012 -7.029 10.349 1.00 12.35 H new ATOM 0 HB2 GLU A 68 -8.213 -5.972 12.144 1.00 64.11 H new ATOM 0 HB3 GLU A 68 -9.027 -7.448 11.666 1.00 64.11 H new ATOM 0 HG2 GLU A 68 -7.935 -8.590 13.681 1.00 10.43 H new ATOM 0 HG3 GLU A 68 -7.374 -7.009 14.189 1.00 10.43 H new ATOM 1198 N CYS A 69 -4.935 -6.039 11.099 1.00 13.21 N ATOM 1199 CA CYS A 69 -3.590 -5.513 11.346 1.00 70.35 C ATOM 1200 C CYS A 69 -3.515 -4.049 10.891 1.00 60.52 C ATOM 1201 O CYS A 69 -4.264 -3.634 10.006 1.00 3.44 O ATOM 1202 CB CYS A 69 -2.518 -6.338 10.616 1.00 55.14 C ATOM 1203 SG CYS A 69 -2.308 -7.988 11.351 1.00 2.14 S ATOM 0 H CYS A 69 -5.358 -5.661 10.251 1.00 13.21 H new ATOM 0 HA CYS A 69 -3.394 -5.579 12.416 1.00 70.35 H new ATOM 0 HB2 CYS A 69 -2.793 -6.441 9.566 1.00 55.14 H new ATOM 0 HB3 CYS A 69 -1.568 -5.805 10.646 1.00 55.14 H new ATOM 0 HG CYS A 69 -3.245 -8.195 12.228 1.00 2.14 H new ATOM 1209 N GLU A 70 -2.625 -3.288 11.546 1.00 1.31 N ATOM 1210 CA GLU A 70 -2.592 -1.827 11.507 1.00 5.34 C ATOM 1211 C GLU A 70 -1.514 -1.329 10.527 1.00 21.04 C ATOM 1212 O GLU A 70 -0.408 -1.870 10.506 1.00 4.41 O ATOM 1213 CB GLU A 70 -2.412 -1.355 12.965 1.00 62.11 C ATOM 1214 CG GLU A 70 -2.861 0.094 13.235 1.00 33.43 C ATOM 1215 CD GLU A 70 -2.906 0.449 14.728 1.00 43.03 C ATOM 1216 OE1 GLU A 70 -2.638 -0.440 15.566 1.00 55.11 O ATOM 1217 OE2 GLU A 70 -3.229 1.622 15.011 1.00 1.21 O1- ATOM 0 H GLU A 70 -1.891 -3.687 12.131 1.00 1.31 H new ATOM 0 HA GLU A 70 -3.515 -1.397 11.118 1.00 5.34 H new ATOM 0 HB2 GLU A 70 -2.972 -2.022 13.620 1.00 62.11 H new ATOM 0 HB3 GLU A 70 -1.361 -1.451 13.236 1.00 62.11 H new ATOM 0 HG2 GLU A 70 -2.181 0.778 12.727 1.00 33.43 H new ATOM 0 HG3 GLU A 70 -3.850 0.247 12.803 1.00 33.43 H new ATOM 1224 N LEU A 71 -1.894 -0.342 9.696 1.00 63.25 N ATOM 1225 CA LEU A 71 -1.157 0.083 8.503 1.00 51.44 C ATOM 1226 C LEU A 71 -0.946 1.607 8.540 1.00 52.25 C ATOM 1227 O LEU A 71 -1.901 2.353 8.314 1.00 41.12 O ATOM 1228 CB LEU A 71 -1.968 -0.336 7.249 1.00 12.12 C ATOM 1229 CG LEU A 71 -2.166 -1.862 7.058 1.00 31.25 C ATOM 1230 CD1 LEU A 71 -3.174 -2.159 5.927 1.00 13.24 C ATOM 1231 CD2 LEU A 71 -0.827 -2.601 6.853 1.00 11.34 C ATOM 0 H LEU A 71 -2.748 0.195 9.845 1.00 63.25 H new ATOM 0 HA LEU A 71 -0.176 -0.392 8.470 1.00 51.44 H new ATOM 0 HB2 LEU A 71 -2.949 0.136 7.299 1.00 12.12 H new ATOM 0 HB3 LEU A 71 -1.468 0.061 6.366 1.00 12.12 H new ATOM 0 HG LEU A 71 -2.593 -2.252 7.982 1.00 31.25 H new ATOM 0 HD11 LEU A 71 -3.291 -3.237 5.818 1.00 13.24 H new ATOM 0 HD12 LEU A 71 -4.138 -1.712 6.172 1.00 13.24 H new ATOM 0 HD13 LEU A 71 -2.806 -1.737 4.992 1.00 13.24 H new ATOM 0 HD21 LEU A 71 -1.016 -3.667 6.724 1.00 11.34 H new ATOM 0 HD22 LEU A 71 -0.328 -2.211 5.966 1.00 11.34 H new ATOM 0 HD23 LEU A 71 -0.190 -2.449 7.724 1.00 11.34 H new ATOM 1243 N GLU A 72 0.297 2.038 8.814 1.00 31.40 N ATOM 1244 CA GLU A 72 0.722 3.440 8.854 1.00 14.02 C ATOM 1245 C GLU A 72 0.997 3.991 7.443 1.00 21.53 C ATOM 1246 O GLU A 72 1.801 3.425 6.705 1.00 23.03 O ATOM 1247 CB GLU A 72 1.948 3.572 9.787 1.00 41.41 C ATOM 1248 CG GLU A 72 2.425 5.023 10.013 1.00 41.14 C ATOM 1249 CD GLU A 72 3.619 5.116 10.965 1.00 41.24 C ATOM 1250 OE1 GLU A 72 3.475 4.645 12.117 1.00 4.01 O ATOM 1251 OE2 GLU A 72 4.651 5.669 10.530 1.00 22.04 O1- ATOM 0 H GLU A 72 1.059 1.392 9.021 1.00 31.40 H new ATOM 0 HA GLU A 72 -0.087 4.049 9.258 1.00 14.02 H new ATOM 0 HB2 GLU A 72 1.704 3.128 10.752 1.00 41.41 H new ATOM 0 HB3 GLU A 72 2.771 2.993 9.369 1.00 41.41 H new ATOM 0 HG2 GLU A 72 2.696 5.464 9.054 1.00 41.14 H new ATOM 0 HG3 GLU A 72 1.601 5.613 10.414 1.00 41.14 H new ATOM 1258 N THR A 73 0.335 5.110 7.120 1.00 53.10 N ATOM 1259 CA THR A 73 0.455 5.841 5.854 1.00 22.32 C ATOM 1260 C THR A 73 1.688 6.776 5.863 1.00 73.14 C ATOM 1261 O THR A 73 2.248 7.029 6.930 1.00 51.31 O ATOM 1262 CB THR A 73 -0.832 6.687 5.612 1.00 61.01 C ATOM 1263 OG1 THR A 73 -1.975 5.872 5.794 1.00 25.44 O ATOM 1264 CG2 THR A 73 -0.977 7.305 4.207 1.00 13.44 C ATOM 0 H THR A 73 -0.326 5.548 7.761 1.00 53.10 H new ATOM 0 HA THR A 73 0.579 5.113 5.053 1.00 22.32 H new ATOM 0 HB THR A 73 -0.745 7.505 6.327 1.00 61.01 H new ATOM 0 HG1 THR A 73 -2.190 5.819 6.749 1.00 25.44 H new ATOM 0 HG21 THR A 73 -1.907 7.871 4.153 1.00 13.44 H new ATOM 0 HG22 THR A 73 -0.136 7.971 4.014 1.00 13.44 H new ATOM 0 HG23 THR A 73 -0.991 6.511 3.460 1.00 13.44 H new ATOM 1272 N MET A 74 2.082 7.291 4.682 1.00 65.23 N ATOM 1273 CA MET A 74 3.159 8.275 4.468 1.00 15.22 C ATOM 1274 C MET A 74 3.071 9.556 5.330 1.00 61.53 C ATOM 1275 O MET A 74 4.108 10.154 5.614 1.00 63.41 O ATOM 1276 CB MET A 74 3.210 8.663 2.973 1.00 4.31 C ATOM 1277 CG MET A 74 3.530 7.497 2.024 1.00 63.10 C ATOM 1278 SD MET A 74 3.591 7.988 0.280 1.00 71.13 S ATOM 1279 CE MET A 74 4.095 6.418 -0.472 1.00 42.32 C ATOM 0 H MET A 74 1.634 7.017 3.807 1.00 65.23 H new ATOM 0 HA MET A 74 4.073 7.776 4.789 1.00 15.22 H new ATOM 0 HB2 MET A 74 2.250 9.093 2.689 1.00 4.31 H new ATOM 0 HB3 MET A 74 3.961 9.442 2.838 1.00 4.31 H new ATOM 0 HG2 MET A 74 4.489 7.061 2.305 1.00 63.10 H new ATOM 0 HG3 MET A 74 2.777 6.719 2.149 1.00 63.10 H new ATOM 0 HE1 MET A 74 4.181 6.543 -1.551 1.00 42.32 H new ATOM 0 HE2 MET A 74 5.058 6.112 -0.064 1.00 42.32 H new ATOM 0 HE3 MET A 74 3.349 5.654 -0.253 1.00 42.32 H new ATOM 1289 N THR A 75 1.846 9.935 5.728 1.00 42.10 N ATOM 1290 CA THR A 75 1.529 11.081 6.580 1.00 73.34 C ATOM 1291 C THR A 75 1.595 10.782 8.101 1.00 4.34 C ATOM 1292 O THR A 75 1.717 11.721 8.886 1.00 65.22 O ATOM 1293 CB THR A 75 0.134 11.650 6.175 1.00 44.22 C ATOM 1294 OG1 THR A 75 -0.281 12.733 6.985 1.00 73.25 O ATOM 1295 CG2 THR A 75 -0.996 10.605 6.169 1.00 62.31 C ATOM 0 H THR A 75 1.011 9.421 5.447 1.00 42.10 H new ATOM 0 HA THR A 75 2.305 11.828 6.411 1.00 73.34 H new ATOM 0 HB THR A 75 0.298 11.993 5.154 1.00 44.22 H new ATOM 0 HG1 THR A 75 -0.802 12.394 7.743 1.00 73.25 H new ATOM 0 HG21 THR A 75 -1.931 11.082 5.877 1.00 62.31 H new ATOM 0 HG22 THR A 75 -0.756 9.813 5.459 1.00 62.31 H new ATOM 0 HG23 THR A 75 -1.102 10.178 7.166 1.00 62.31 H new ATOM 1303 N GLY A 76 1.574 9.494 8.487 1.00 3.43 N ATOM 1304 CA GLY A 76 1.683 9.035 9.875 1.00 13.34 C ATOM 1305 C GLY A 76 0.334 8.557 10.434 1.00 34.01 C ATOM 1306 O GLY A 76 0.330 7.847 11.441 1.00 72.12 O ATOM 0 H GLY A 76 1.478 8.727 7.822 1.00 3.43 H new ATOM 0 HA2 GLY A 76 2.407 8.222 9.932 1.00 13.34 H new ATOM 0 HA3 GLY A 76 2.065 9.846 10.495 1.00 13.34 H new ATOM 1310 N GLU A 77 -0.798 8.897 9.785 1.00 2.11 N ATOM 1311 CA GLU A 77 -2.134 8.366 10.069 1.00 62.44 C ATOM 1312 C GLU A 77 -2.170 6.848 9.827 1.00 4.12 C ATOM 1313 O GLU A 77 -1.638 6.388 8.815 1.00 42.31 O ATOM 1314 CB GLU A 77 -3.215 9.049 9.189 1.00 1.33 C ATOM 1315 CG GLU A 77 -3.758 10.410 9.683 1.00 21.25 C ATOM 1316 CD GLU A 77 -2.864 11.643 9.500 1.00 24.55 C ATOM 1317 OE1 GLU A 77 -3.386 12.745 9.771 1.00 34.11 O ATOM 1318 OE2 GLU A 77 -1.695 11.492 9.088 1.00 2.32 O1- ATOM 0 H GLU A 77 -0.800 9.574 9.022 1.00 2.11 H new ATOM 0 HA GLU A 77 -2.353 8.577 11.116 1.00 62.44 H new ATOM 0 HB2 GLU A 77 -2.801 9.191 8.191 1.00 1.33 H new ATOM 0 HB3 GLU A 77 -4.056 8.363 9.091 1.00 1.33 H new ATOM 0 HG2 GLU A 77 -4.701 10.601 9.171 1.00 21.25 H new ATOM 0 HG3 GLU A 77 -3.985 10.315 10.745 1.00 21.25 H new ATOM 1325 N LYS A 78 -2.808 6.112 10.748 1.00 34.45 N ATOM 1326 CA LYS A 78 -2.904 4.657 10.688 1.00 62.24 C ATOM 1327 C LYS A 78 -4.333 4.184 10.960 1.00 52.53 C ATOM 1328 O LYS A 78 -5.122 4.879 11.601 1.00 41.41 O ATOM 1329 CB LYS A 78 -1.847 4.020 11.609 1.00 24.04 C ATOM 1330 CG LYS A 78 -1.999 4.298 13.117 1.00 12.42 C ATOM 1331 CD LYS A 78 -0.814 3.774 13.950 1.00 34.14 C ATOM 1332 CE LYS A 78 0.517 4.478 13.629 1.00 51.30 C ATOM 1333 NZ LYS A 78 1.621 3.980 14.463 1.00 3.34 N1+ ATOM 0 H LYS A 78 -3.274 6.518 11.559 1.00 34.45 H new ATOM 0 HA LYS A 78 -2.679 4.318 9.677 1.00 62.24 H new ATOM 0 HB2 LYS A 78 -1.866 2.941 11.456 1.00 24.04 H new ATOM 0 HB3 LYS A 78 -0.864 4.369 11.294 1.00 24.04 H new ATOM 0 HG2 LYS A 78 -2.099 5.372 13.274 1.00 12.42 H new ATOM 0 HG3 LYS A 78 -2.919 3.836 13.475 1.00 12.42 H new ATOM 0 HD2 LYS A 78 -1.039 3.903 15.009 1.00 34.14 H new ATOM 0 HD3 LYS A 78 -0.702 2.704 13.776 1.00 34.14 H new ATOM 0 HE2 LYS A 78 0.761 4.328 12.577 1.00 51.30 H new ATOM 0 HE3 LYS A 78 0.405 5.552 13.780 1.00 51.30 H new ATOM 0 HZ1 LYS A 78 2.515 4.056 13.937 1.00 3.34 H new ATOM 0 HZ2 LYS A 78 1.682 4.547 15.333 1.00 3.34 H new ATOM 0 HZ3 LYS A 78 1.448 2.985 14.710 1.00 3.34 H new ATOM 1347 N VAL A 79 -4.621 3.006 10.402 1.00 4.14 N ATOM 1348 CA VAL A 79 -5.941 2.400 10.286 1.00 74.43 C ATOM 1349 C VAL A 79 -5.779 0.873 10.294 1.00 74.30 C ATOM 1350 O VAL A 79 -4.826 0.359 9.705 1.00 24.50 O ATOM 1351 CB VAL A 79 -6.646 2.826 8.962 1.00 63.22 C ATOM 1352 CG1 VAL A 79 -7.328 4.198 9.083 1.00 32.44 C ATOM 1353 CG2 VAL A 79 -5.717 2.799 7.730 1.00 71.32 C ATOM 0 H VAL A 79 -3.893 2.418 9.996 1.00 4.14 H new ATOM 0 HA VAL A 79 -6.554 2.734 11.123 1.00 74.43 H new ATOM 0 HB VAL A 79 -7.413 2.069 8.799 1.00 63.22 H new ATOM 0 HG11 VAL A 79 -7.805 4.452 8.136 1.00 32.44 H new ATOM 0 HG12 VAL A 79 -8.081 4.162 9.871 1.00 32.44 H new ATOM 0 HG13 VAL A 79 -6.583 4.955 9.328 1.00 32.44 H new ATOM 0 HG21 VAL A 79 -6.276 3.107 6.846 1.00 71.32 H new ATOM 0 HG22 VAL A 79 -4.883 3.483 7.888 1.00 71.32 H new ATOM 0 HG23 VAL A 79 -5.335 1.788 7.584 1.00 71.32 H new ATOM 1363 N LYS A 80 -6.709 0.188 10.977 1.00 63.33 N ATOM 1364 CA LYS A 80 -6.661 -1.258 11.186 1.00 34.21 C ATOM 1365 C LYS A 80 -7.755 -1.942 10.354 1.00 52.24 C ATOM 1366 O LYS A 80 -8.891 -1.465 10.334 1.00 75.41 O ATOM 1367 CB LYS A 80 -6.782 -1.550 12.698 1.00 34.34 C ATOM 1368 CG LYS A 80 -6.179 -2.910 13.086 1.00 31.13 C ATOM 1369 CD LYS A 80 -6.134 -3.193 14.592 1.00 52.13 C ATOM 1370 CE LYS A 80 -7.514 -3.491 15.185 1.00 31.42 C ATOM 1371 NZ LYS A 80 -7.411 -3.945 16.582 1.00 4.01 N1+ ATOM 0 H LYS A 80 -7.523 0.632 11.402 1.00 63.33 H new ATOM 0 HA LYS A 80 -5.710 -1.668 10.847 1.00 34.21 H new ATOM 0 HB2 LYS A 80 -6.280 -0.761 13.258 1.00 34.34 H new ATOM 0 HB3 LYS A 80 -7.833 -1.527 12.986 1.00 34.34 H new ATOM 0 HG2 LYS A 80 -6.755 -3.698 12.601 1.00 31.13 H new ATOM 0 HG3 LYS A 80 -5.165 -2.967 12.690 1.00 31.13 H new ATOM 0 HD2 LYS A 80 -5.474 -4.040 14.778 1.00 52.13 H new ATOM 0 HD3 LYS A 80 -5.702 -2.334 15.105 1.00 52.13 H new ATOM 0 HE2 LYS A 80 -8.134 -2.596 15.136 1.00 31.42 H new ATOM 0 HE3 LYS A 80 -8.011 -4.256 14.588 1.00 31.42 H new ATOM 0 HZ1 LYS A 80 -8.362 -4.139 16.955 1.00 4.01 H new ATOM 0 HZ2 LYS A 80 -6.839 -4.813 16.624 1.00 4.01 H new ATOM 0 HZ3 LYS A 80 -6.958 -3.205 17.155 1.00 4.01 H new ATOM 1385 N THR A 81 -7.380 -3.036 9.671 1.00 10.31 N ATOM 1386 CA THR A 81 -8.231 -3.743 8.714 1.00 71.10 C ATOM 1387 C THR A 81 -7.621 -5.106 8.329 1.00 11.10 C ATOM 1388 O THR A 81 -6.418 -5.313 8.501 1.00 2.42 O ATOM 1389 CB THR A 81 -8.447 -2.896 7.421 1.00 64.15 C ATOM 1390 OG1 THR A 81 -9.362 -3.517 6.541 1.00 65.32 O ATOM 1391 CG2 THR A 81 -7.158 -2.632 6.619 1.00 11.32 C ATOM 0 H THR A 81 -6.457 -3.458 9.774 1.00 10.31 H new ATOM 0 HA THR A 81 -9.193 -3.906 9.200 1.00 71.10 H new ATOM 0 HB THR A 81 -8.831 -1.945 7.790 1.00 64.15 H new ATOM 0 HG1 THR A 81 -9.614 -2.888 5.833 1.00 65.32 H new ATOM 0 HG21 THR A 81 -7.394 -2.038 5.736 1.00 11.32 H new ATOM 0 HG22 THR A 81 -6.446 -2.090 7.242 1.00 11.32 H new ATOM 0 HG23 THR A 81 -6.720 -3.582 6.311 1.00 11.32 H new ATOM 1399 N VAL A 82 -8.468 -5.997 7.788 1.00 12.10 N ATOM 1400 CA VAL A 82 -8.075 -7.279 7.214 1.00 65.00 C ATOM 1401 C VAL A 82 -7.767 -7.093 5.713 1.00 15.30 C ATOM 1402 O VAL A 82 -8.667 -6.746 4.946 1.00 20.31 O ATOM 1403 CB VAL A 82 -9.213 -8.335 7.348 1.00 43.35 C ATOM 1404 CG1 VAL A 82 -8.825 -9.708 6.761 1.00 44.21 C ATOM 1405 CG2 VAL A 82 -9.674 -8.516 8.804 1.00 75.14 C ATOM 0 H VAL A 82 -9.474 -5.833 7.740 1.00 12.10 H new ATOM 0 HA VAL A 82 -7.197 -7.632 7.755 1.00 65.00 H new ATOM 0 HB VAL A 82 -10.042 -7.934 6.764 1.00 43.35 H new ATOM 0 HG11 VAL A 82 -9.656 -10.403 6.882 1.00 44.21 H new ATOM 0 HG12 VAL A 82 -8.595 -9.599 5.701 1.00 44.21 H new ATOM 0 HG13 VAL A 82 -7.950 -10.093 7.284 1.00 44.21 H new ATOM 0 HG21 VAL A 82 -10.468 -9.262 8.844 1.00 75.14 H new ATOM 0 HG22 VAL A 82 -8.833 -8.848 9.413 1.00 75.14 H new ATOM 0 HG23 VAL A 82 -10.048 -7.567 9.188 1.00 75.14 H new ATOM 1415 N VAL A 83 -6.511 -7.363 5.323 1.00 41.31 N ATOM 1416 CA VAL A 83 -6.083 -7.413 3.923 1.00 54.31 C ATOM 1417 C VAL A 83 -6.364 -8.827 3.366 1.00 42.34 C ATOM 1418 O VAL A 83 -6.117 -9.810 4.070 1.00 72.03 O ATOM 1419 CB VAL A 83 -4.559 -7.131 3.783 1.00 63.10 C ATOM 1420 CG1 VAL A 83 -4.071 -7.124 2.317 1.00 45.23 C ATOM 1421 CG2 VAL A 83 -4.140 -5.821 4.479 1.00 52.03 C ATOM 0 H VAL A 83 -5.757 -7.555 5.983 1.00 41.31 H new ATOM 0 HA VAL A 83 -6.634 -6.651 3.372 1.00 54.31 H new ATOM 0 HB VAL A 83 -4.073 -7.966 4.288 1.00 63.10 H new ATOM 0 HG11 VAL A 83 -3.000 -6.922 2.291 1.00 45.23 H new ATOM 0 HG12 VAL A 83 -4.268 -8.095 1.863 1.00 45.23 H new ATOM 0 HG13 VAL A 83 -4.600 -6.350 1.761 1.00 45.23 H new ATOM 0 HG21 VAL A 83 -3.068 -5.669 4.353 1.00 52.03 H new ATOM 0 HG22 VAL A 83 -4.680 -4.984 4.035 1.00 52.03 H new ATOM 0 HG23 VAL A 83 -4.375 -5.882 5.542 1.00 52.03 H new ATOM 1431 N GLN A 84 -6.872 -8.901 2.124 1.00 61.33 N ATOM 1432 CA GLN A 84 -7.235 -10.146 1.436 1.00 41.54 C ATOM 1433 C GLN A 84 -6.631 -10.217 0.033 1.00 4.15 C ATOM 1434 O GLN A 84 -6.385 -9.178 -0.573 1.00 61.00 O ATOM 1435 CB GLN A 84 -8.776 -10.275 1.370 1.00 50.45 C ATOM 1436 CG GLN A 84 -9.454 -10.630 2.706 1.00 14.11 C ATOM 1437 CD GLN A 84 -9.091 -12.034 3.193 1.00 70.34 C ATOM 1438 OE1 GLN A 84 -9.752 -13.009 2.846 1.00 4.12 O ATOM 1439 NE2 GLN A 84 -8.028 -12.148 3.987 1.00 32.13 N ATOM 0 H GLN A 84 -7.045 -8.071 1.557 1.00 61.33 H new ATOM 0 HA GLN A 84 -6.825 -10.979 2.006 1.00 41.54 H new ATOM 0 HB2 GLN A 84 -9.190 -9.334 1.008 1.00 50.45 H new ATOM 0 HB3 GLN A 84 -9.031 -11.039 0.635 1.00 50.45 H new ATOM 0 HG2 GLN A 84 -9.164 -9.900 3.462 1.00 14.11 H new ATOM 0 HG3 GLN A 84 -10.536 -10.557 2.591 1.00 14.11 H new ATOM 0 HE21 GLN A 84 -7.501 -11.317 4.256 1.00 32.13 H new ATOM 0 HE22 GLN A 84 -7.741 -13.066 4.326 1.00 32.13 H new ATOM 1448 N LEU A 85 -6.427 -11.451 -0.457 1.00 40.43 N ATOM 1449 CA LEU A 85 -5.858 -11.747 -1.774 1.00 51.31 C ATOM 1450 C LEU A 85 -6.995 -12.034 -2.775 1.00 54.41 C ATOM 1451 O LEU A 85 -7.898 -12.808 -2.457 1.00 41.12 O ATOM 1452 CB LEU A 85 -4.858 -12.920 -1.617 1.00 65.52 C ATOM 1453 CG LEU A 85 -3.791 -13.045 -2.732 1.00 33.43 C ATOM 1454 CD1 LEU A 85 -2.549 -13.789 -2.207 1.00 3.42 C ATOM 1455 CD2 LEU A 85 -4.332 -13.702 -4.016 1.00 64.25 C ATOM 0 H LEU A 85 -6.662 -12.292 0.071 1.00 40.43 H new ATOM 0 HA LEU A 85 -5.307 -10.897 -2.177 1.00 51.31 H new ATOM 0 HB2 LEU A 85 -4.347 -12.812 -0.660 1.00 65.52 H new ATOM 0 HB3 LEU A 85 -5.423 -13.851 -1.573 1.00 65.52 H new ATOM 0 HG LEU A 85 -3.505 -12.031 -3.010 1.00 33.43 H new ATOM 0 HD11 LEU A 85 -1.809 -13.868 -3.003 1.00 3.42 H new ATOM 0 HD12 LEU A 85 -2.122 -13.238 -1.369 1.00 3.42 H new ATOM 0 HD13 LEU A 85 -2.835 -14.788 -1.877 1.00 3.42 H new ATOM 0 HD21 LEU A 85 -3.536 -13.760 -4.758 1.00 64.25 H new ATOM 0 HD22 LEU A 85 -4.690 -14.706 -3.788 1.00 64.25 H new ATOM 0 HD23 LEU A 85 -5.154 -13.105 -4.412 1.00 64.25 H new ATOM 1467 N GLU A 86 -6.927 -11.405 -3.960 1.00 40.40 N ATOM 1468 CA GLU A 86 -7.983 -11.380 -4.980 1.00 12.40 C ATOM 1469 C GLU A 86 -7.837 -12.486 -6.049 1.00 63.23 C ATOM 1470 O GLU A 86 -8.309 -12.312 -7.172 1.00 40.13 O ATOM 1471 CB GLU A 86 -8.038 -9.960 -5.593 1.00 41.14 C ATOM 1472 CG GLU A 86 -9.462 -9.529 -6.011 1.00 61.31 C ATOM 1473 CD GLU A 86 -9.567 -8.090 -6.525 1.00 51.24 C ATOM 1474 OE1 GLU A 86 -8.522 -7.405 -6.595 1.00 61.21 O ATOM 1475 OE2 GLU A 86 -10.709 -7.690 -6.836 1.00 12.13 O1- ATOM 0 H GLU A 86 -6.100 -10.879 -4.243 1.00 40.40 H new ATOM 0 HA GLU A 86 -8.935 -11.606 -4.499 1.00 12.40 H new ATOM 0 HB2 GLU A 86 -7.647 -9.244 -4.870 1.00 41.14 H new ATOM 0 HB3 GLU A 86 -7.384 -9.922 -6.464 1.00 41.14 H new ATOM 0 HG2 GLU A 86 -9.819 -10.205 -6.788 1.00 61.31 H new ATOM 0 HG3 GLU A 86 -10.128 -9.645 -5.156 1.00 61.31 H new ATOM 1482 N GLY A 87 -7.206 -13.613 -5.682 1.00 52.41 N ATOM 1483 CA GLY A 87 -7.107 -14.841 -6.478 1.00 62.21 C ATOM 1484 C GLY A 87 -6.213 -14.745 -7.727 1.00 53.52 C ATOM 1485 O GLY A 87 -6.191 -15.700 -8.502 1.00 50.23 O ATOM 0 H GLY A 87 -6.731 -13.694 -4.783 1.00 52.41 H new ATOM 0 HA2 GLY A 87 -6.727 -15.638 -5.840 1.00 62.21 H new ATOM 0 HA3 GLY A 87 -8.109 -15.134 -6.791 1.00 62.21 H new ATOM 1489 N ASP A 88 -5.499 -13.627 -7.941 1.00 71.04 N ATOM 1490 CA ASP A 88 -4.713 -13.370 -9.150 1.00 30.21 C ATOM 1491 C ASP A 88 -3.532 -12.449 -8.794 1.00 42.45 C ATOM 1492 O ASP A 88 -3.401 -11.372 -9.371 1.00 71.24 O ATOM 1493 CB ASP A 88 -5.611 -12.832 -10.300 1.00 73.41 C ATOM 1494 CG ASP A 88 -4.901 -12.643 -11.649 1.00 71.32 C ATOM 1495 OD1 ASP A 88 -4.051 -13.497 -11.982 1.00 25.20 O ATOM 1496 OD2 ASP A 88 -5.282 -11.684 -12.355 1.00 54.44 O1- ATOM 0 H ASP A 88 -5.454 -12.866 -7.264 1.00 71.04 H new ATOM 0 HA ASP A 88 -4.293 -14.300 -9.534 1.00 30.21 H new ATOM 0 HB2 ASP A 88 -6.446 -13.519 -10.440 1.00 73.41 H new ATOM 0 HB3 ASP A 88 -6.034 -11.875 -9.993 1.00 73.41 H new ATOM 1501 N ASN A 89 -2.692 -12.887 -7.835 1.00 55.11 N ATOM 1502 CA ASN A 89 -1.484 -12.190 -7.343 1.00 54.15 C ATOM 1503 C ASN A 89 -1.696 -10.701 -6.969 1.00 13.15 C ATOM 1504 O ASN A 89 -0.798 -9.876 -7.130 1.00 32.05 O ATOM 1505 CB ASN A 89 -0.192 -12.488 -8.184 1.00 72.33 C ATOM 1506 CG ASN A 89 -0.388 -13.038 -9.604 1.00 34.24 C ATOM 1507 OD1 ASN A 89 -0.409 -14.250 -9.804 1.00 23.44 O ATOM 1508 ND2 ASN A 89 -0.537 -12.156 -10.593 1.00 72.24 N ATOM 0 H ASN A 89 -2.843 -13.777 -7.360 1.00 55.11 H new ATOM 0 HA ASN A 89 -1.282 -12.652 -6.377 1.00 54.15 H new ATOM 0 HB2 ASN A 89 0.384 -11.565 -8.256 1.00 72.33 H new ATOM 0 HB3 ASN A 89 0.416 -13.201 -7.627 1.00 72.33 H new ATOM 0 HD21 ASN A 89 -0.673 -12.481 -11.550 1.00 72.24 H new ATOM 0 HD22 ASN A 89 -0.515 -11.156 -10.392 1.00 72.24 H new ATOM 1515 N LYS A 90 -2.907 -10.393 -6.478 1.00 70.41 N ATOM 1516 CA LYS A 90 -3.397 -9.059 -6.149 1.00 43.31 C ATOM 1517 C LYS A 90 -3.856 -9.053 -4.692 1.00 61.44 C ATOM 1518 O LYS A 90 -4.503 -10.012 -4.282 1.00 11.11 O ATOM 1519 CB LYS A 90 -4.563 -8.717 -7.109 1.00 43.14 C ATOM 1520 CG LYS A 90 -4.074 -8.338 -8.518 1.00 44.14 C ATOM 1521 CD LYS A 90 -5.039 -8.622 -9.687 1.00 4.11 C ATOM 1522 CE LYS A 90 -6.040 -7.500 -10.002 1.00 2.42 C ATOM 1523 NZ LYS A 90 -7.189 -7.503 -9.089 1.00 43.54 N1+ ATOM 0 H LYS A 90 -3.604 -11.114 -6.292 1.00 70.41 H new ATOM 0 HA LYS A 90 -2.616 -8.308 -6.267 1.00 43.31 H new ATOM 0 HB2 LYS A 90 -5.235 -9.573 -7.179 1.00 43.14 H new ATOM 0 HB3 LYS A 90 -5.141 -7.891 -6.694 1.00 43.14 H new ATOM 0 HG2 LYS A 90 -3.839 -7.274 -8.522 1.00 44.14 H new ATOM 0 HG3 LYS A 90 -3.142 -8.870 -8.709 1.00 44.14 H new ATOM 0 HD2 LYS A 90 -4.450 -8.822 -10.582 1.00 4.11 H new ATOM 0 HD3 LYS A 90 -5.597 -9.531 -9.463 1.00 4.11 H new ATOM 0 HE2 LYS A 90 -5.533 -6.537 -9.941 1.00 2.42 H new ATOM 0 HE3 LYS A 90 -6.394 -7.610 -11.027 1.00 2.42 H new ATOM 0 HZ1 LYS A 90 -7.774 -6.661 -9.264 1.00 43.54 H new ATOM 0 HZ2 LYS A 90 -7.757 -8.359 -9.249 1.00 43.54 H new ATOM 0 HZ3 LYS A 90 -6.851 -7.491 -8.106 1.00 43.54 H new ATOM 1537 N LEU A 91 -3.543 -7.978 -3.951 1.00 54.14 N ATOM 1538 CA LEU A 91 -4.010 -7.767 -2.579 1.00 71.14 C ATOM 1539 C LEU A 91 -4.939 -6.550 -2.553 1.00 73.50 C ATOM 1540 O LEU A 91 -4.526 -5.462 -2.957 1.00 41.45 O ATOM 1541 CB LEU A 91 -2.824 -7.540 -1.615 1.00 34.10 C ATOM 1542 CG LEU A 91 -1.932 -8.769 -1.359 1.00 33.12 C ATOM 1543 CD1 LEU A 91 -0.610 -8.345 -0.692 1.00 43.11 C ATOM 1544 CD2 LEU A 91 -2.663 -9.873 -0.563 1.00 11.33 C ATOM 0 H LEU A 91 -2.950 -7.223 -4.296 1.00 54.14 H new ATOM 0 HA LEU A 91 -4.545 -8.657 -2.249 1.00 71.14 H new ATOM 0 HB2 LEU A 91 -2.202 -6.739 -2.014 1.00 34.10 H new ATOM 0 HB3 LEU A 91 -3.217 -7.193 -0.659 1.00 34.10 H new ATOM 0 HG LEU A 91 -1.692 -9.212 -2.325 1.00 33.12 H new ATOM 0 HD11 LEU A 91 0.009 -9.225 -0.518 1.00 43.11 H new ATOM 0 HD12 LEU A 91 -0.079 -7.652 -1.345 1.00 43.11 H new ATOM 0 HD13 LEU A 91 -0.823 -7.857 0.259 1.00 43.11 H new ATOM 0 HD21 LEU A 91 -1.990 -10.717 -0.409 1.00 11.33 H new ATOM 0 HD22 LEU A 91 -2.976 -9.478 0.403 1.00 11.33 H new ATOM 0 HD23 LEU A 91 -3.539 -10.204 -1.121 1.00 11.33 H new ATOM 1556 N VAL A 92 -6.154 -6.762 -2.032 1.00 32.00 N ATOM 1557 CA VAL A 92 -7.157 -5.732 -1.777 1.00 22.23 C ATOM 1558 C VAL A 92 -7.088 -5.333 -0.296 1.00 44.13 C ATOM 1559 O VAL A 92 -6.961 -6.205 0.566 1.00 43.41 O ATOM 1560 CB VAL A 92 -8.602 -6.261 -2.018 1.00 73.14 C ATOM 1561 CG1 VAL A 92 -9.706 -5.208 -1.774 1.00 43.24 C ATOM 1562 CG2 VAL A 92 -8.763 -6.821 -3.433 1.00 33.22 C ATOM 0 H VAL A 92 -6.473 -7.694 -1.768 1.00 32.00 H new ATOM 0 HA VAL A 92 -6.949 -4.900 -2.450 1.00 22.23 H new ATOM 0 HB VAL A 92 -8.732 -7.052 -1.279 1.00 73.14 H new ATOM 0 HG11 VAL A 92 -10.682 -5.654 -1.963 1.00 43.24 H new ATOM 0 HG12 VAL A 92 -9.658 -4.863 -0.741 1.00 43.24 H new ATOM 0 HG13 VAL A 92 -9.557 -4.363 -2.446 1.00 43.24 H new ATOM 0 HG21 VAL A 92 -9.783 -7.182 -3.568 1.00 33.22 H new ATOM 0 HG22 VAL A 92 -8.557 -6.036 -4.161 1.00 33.22 H new ATOM 0 HG23 VAL A 92 -8.065 -7.645 -3.580 1.00 33.22 H new ATOM 1572 N THR A 93 -7.261 -4.032 -0.031 1.00 63.53 N ATOM 1573 CA THR A 93 -7.503 -3.516 1.308 1.00 13.43 C ATOM 1574 C THR A 93 -8.343 -2.229 1.236 1.00 2.45 C ATOM 1575 O THR A 93 -8.145 -1.405 0.341 1.00 12.21 O ATOM 1576 CB THR A 93 -6.184 -3.306 2.107 1.00 65.32 C ATOM 1577 OG1 THR A 93 -6.462 -2.891 3.428 1.00 23.40 O ATOM 1578 CG2 THR A 93 -5.218 -2.265 1.523 1.00 32.30 C ATOM 0 H THR A 93 -7.235 -3.309 -0.750 1.00 63.53 H new ATOM 0 HA THR A 93 -8.071 -4.265 1.859 1.00 13.43 H new ATOM 0 HB THR A 93 -5.700 -4.281 2.058 1.00 65.32 H new ATOM 0 HG1 THR A 93 -5.621 -2.766 3.915 1.00 23.40 H new ATOM 0 HG21 THR A 93 -4.332 -2.196 2.154 1.00 32.30 H new ATOM 0 HG22 THR A 93 -4.924 -2.565 0.517 1.00 32.30 H new ATOM 0 HG23 THR A 93 -5.711 -1.294 1.482 1.00 32.30 H new ATOM 1586 N THR A 94 -9.277 -2.107 2.188 1.00 31.54 N ATOM 1587 CA THR A 94 -10.180 -0.972 2.376 1.00 61.25 C ATOM 1588 C THR A 94 -10.233 -0.625 3.875 1.00 52.21 C ATOM 1589 O THR A 94 -9.897 -1.473 4.702 1.00 72.24 O ATOM 1590 CB THR A 94 -11.624 -1.314 1.911 1.00 73.32 C ATOM 1591 OG1 THR A 94 -12.158 -2.430 2.604 1.00 22.12 O ATOM 1592 CG2 THR A 94 -11.743 -1.582 0.405 1.00 71.41 C ATOM 0 H THR A 94 -9.428 -2.838 2.883 1.00 31.54 H new ATOM 0 HA THR A 94 -9.805 -0.137 1.784 1.00 61.25 H new ATOM 0 HB THR A 94 -12.198 -0.417 2.145 1.00 73.32 H new ATOM 0 HG1 THR A 94 -13.066 -2.610 2.283 1.00 22.12 H new ATOM 0 HG21 THR A 94 -12.779 -1.813 0.157 1.00 71.41 H new ATOM 0 HG22 THR A 94 -11.426 -0.698 -0.148 1.00 71.41 H new ATOM 0 HG23 THR A 94 -11.108 -2.426 0.134 1.00 71.41 H new ATOM 1600 N PHE A 95 -10.662 0.606 4.201 1.00 12.34 N ATOM 1601 CA PHE A 95 -10.815 1.068 5.589 1.00 32.24 C ATOM 1602 C PHE A 95 -12.230 1.636 5.774 1.00 42.34 C ATOM 1603 O PHE A 95 -12.955 1.164 6.648 1.00 52.11 O ATOM 1604 CB PHE A 95 -9.745 2.130 5.953 1.00 51.52 C ATOM 1605 CG PHE A 95 -8.350 1.892 5.400 1.00 14.51 C ATOM 1606 CD1 PHE A 95 -7.833 2.753 4.413 1.00 42.12 C ATOM 1607 CD2 PHE A 95 -7.590 0.774 5.800 1.00 64.50 C ATOM 1608 CE1 PHE A 95 -6.593 2.503 3.844 1.00 24.11 C ATOM 1609 CE2 PHE A 95 -6.349 0.539 5.220 1.00 31.44 C ATOM 1610 CZ PHE A 95 -5.854 1.397 4.245 1.00 4.31 C ATOM 0 H PHE A 95 -10.913 1.310 3.507 1.00 12.34 H new ATOM 0 HA PHE A 95 -10.670 0.222 6.261 1.00 32.24 H new ATOM 0 HB2 PHE A 95 -10.092 3.101 5.601 1.00 51.52 H new ATOM 0 HB3 PHE A 95 -9.678 2.190 7.039 1.00 51.52 H new ATOM 0 HD1 PHE A 95 -8.405 3.613 4.097 1.00 42.12 H new ATOM 0 HD2 PHE A 95 -7.971 0.102 6.555 1.00 64.50 H new ATOM 0 HE1 PHE A 95 -6.202 3.169 3.089 1.00 24.11 H new ATOM 0 HE2 PHE A 95 -5.766 -0.316 5.529 1.00 31.44 H new ATOM 0 HZ PHE A 95 -4.891 1.203 3.797 1.00 4.31 H new ATOM 1620 N LYS A 96 -12.585 2.635 4.948 1.00 53.44 N ATOM 1621 CA LYS A 96 -13.867 3.342 4.964 1.00 45.34 C ATOM 1622 C LYS A 96 -14.318 3.612 3.524 1.00 4.11 C ATOM 1623 O LYS A 96 -15.352 3.089 3.112 1.00 13.52 O ATOM 1624 CB LYS A 96 -13.758 4.654 5.775 1.00 23.43 C ATOM 1625 CG LYS A 96 -13.760 4.459 7.299 1.00 21.04 C ATOM 1626 CD LYS A 96 -13.644 5.793 8.060 1.00 75.14 C ATOM 1627 CE LYS A 96 -13.970 5.683 9.558 1.00 20.32 C ATOM 1628 NZ LYS A 96 -13.085 4.730 10.252 1.00 11.43 N1+ ATOM 0 H LYS A 96 -11.957 2.983 4.223 1.00 53.44 H new ATOM 0 HA LYS A 96 -14.616 2.719 5.453 1.00 45.34 H new ATOM 0 HB2 LYS A 96 -12.841 5.169 5.488 1.00 23.43 H new ATOM 0 HB3 LYS A 96 -14.589 5.305 5.503 1.00 23.43 H new ATOM 0 HG2 LYS A 96 -14.678 3.952 7.597 1.00 21.04 H new ATOM 0 HG3 LYS A 96 -12.931 3.809 7.581 1.00 21.04 H new ATOM 0 HD2 LYS A 96 -12.631 6.179 7.946 1.00 75.14 H new ATOM 0 HD3 LYS A 96 -14.316 6.520 7.604 1.00 75.14 H new ATOM 0 HE2 LYS A 96 -13.878 6.665 10.021 1.00 20.32 H new ATOM 0 HE3 LYS A 96 -15.007 5.369 9.680 1.00 20.32 H new ATOM 0 HZ1 LYS A 96 -13.330 4.701 11.262 1.00 11.43 H new ATOM 0 HZ2 LYS A 96 -13.204 3.783 9.840 1.00 11.43 H new ATOM 0 HZ3 LYS A 96 -12.096 5.033 10.144 1.00 11.43 H new ATOM 1642 N ASN A 97 -13.523 4.413 2.793 1.00 10.42 N ATOM 1643 CA ASN A 97 -13.757 4.761 1.389 1.00 75.11 C ATOM 1644 C ASN A 97 -12.527 4.478 0.511 1.00 61.01 C ATOM 1645 O ASN A 97 -12.703 4.270 -0.690 1.00 22.13 O ATOM 1646 CB ASN A 97 -14.246 6.231 1.265 1.00 25.42 C ATOM 1647 CG ASN A 97 -13.195 7.313 1.568 1.00 61.20 C ATOM 1648 OD1 ASN A 97 -12.315 7.582 0.752 1.00 11.33 O ATOM 1649 ND2 ASN A 97 -13.290 7.949 2.735 1.00 5.41 N ATOM 0 H ASN A 97 -12.681 4.844 3.175 1.00 10.42 H new ATOM 0 HA ASN A 97 -14.550 4.116 1.011 1.00 75.11 H new ATOM 0 HB2 ASN A 97 -14.618 6.386 0.252 1.00 25.42 H new ATOM 0 HB3 ASN A 97 -15.090 6.372 1.940 1.00 25.42 H new ATOM 0 HD21 ASN A 97 -12.621 8.682 2.972 1.00 5.41 H new ATOM 0 HD22 ASN A 97 -14.031 7.703 3.391 1.00 5.41 H new ATOM 1656 N ILE A 98 -11.319 4.500 1.106 1.00 61.54 N ATOM 1657 CA ILE A 98 -10.054 4.338 0.394 1.00 2.05 C ATOM 1658 C ILE A 98 -9.875 2.869 -0.008 1.00 35.23 C ATOM 1659 O ILE A 98 -9.466 2.055 0.817 1.00 55.31 O ATOM 1660 CB ILE A 98 -8.813 4.789 1.225 1.00 14.22 C ATOM 1661 CG1 ILE A 98 -8.937 6.256 1.677 1.00 63.21 C ATOM 1662 CG2 ILE A 98 -7.471 4.583 0.475 1.00 52.21 C ATOM 1663 CD1 ILE A 98 -7.877 6.701 2.696 1.00 5.42 C ATOM 0 H ILE A 98 -11.202 4.633 2.110 1.00 61.54 H new ATOM 0 HA ILE A 98 -10.107 4.983 -0.483 1.00 2.05 H new ATOM 0 HB ILE A 98 -8.800 4.144 2.104 1.00 14.22 H new ATOM 0 HG12 ILE A 98 -8.872 6.900 0.800 1.00 63.21 H new ATOM 0 HG13 ILE A 98 -9.926 6.407 2.111 1.00 63.21 H new ATOM 0 HG21 ILE A 98 -6.647 4.916 1.106 1.00 52.21 H new ATOM 0 HG22 ILE A 98 -7.344 3.526 0.240 1.00 52.21 H new ATOM 0 HG23 ILE A 98 -7.478 5.162 -0.448 1.00 52.21 H new ATOM 0 HD11 ILE A 98 -8.040 7.746 2.958 1.00 5.42 H new ATOM 0 HD12 ILE A 98 -7.954 6.086 3.593 1.00 5.42 H new ATOM 0 HD13 ILE A 98 -6.884 6.587 2.261 1.00 5.42 H new ATOM 1675 N LYS A 99 -10.165 2.579 -1.284 1.00 53.13 N ATOM 1676 CA LYS A 99 -9.766 1.329 -1.920 1.00 15.10 C ATOM 1677 C LYS A 99 -8.263 1.377 -2.216 1.00 10.35 C ATOM 1678 O LYS A 99 -7.719 2.452 -2.472 1.00 24.53 O ATOM 1679 CB LYS A 99 -10.574 1.105 -3.213 1.00 51.34 C ATOM 1680 CG LYS A 99 -12.085 0.931 -2.982 1.00 22.43 C ATOM 1681 CD LYS A 99 -12.868 0.681 -4.287 1.00 32.12 C ATOM 1682 CE LYS A 99 -13.959 1.723 -4.571 1.00 42.11 C ATOM 1683 NZ LYS A 99 -13.395 3.067 -4.785 1.00 33.01 N1+ ATOM 0 H LYS A 99 -10.682 3.208 -1.898 1.00 53.13 H new ATOM 0 HA LYS A 99 -9.971 0.494 -1.250 1.00 15.10 H new ATOM 0 HB2 LYS A 99 -10.414 1.951 -3.881 1.00 51.34 H new ATOM 0 HB3 LYS A 99 -10.190 0.220 -3.721 1.00 51.34 H new ATOM 0 HG2 LYS A 99 -12.249 0.096 -2.300 1.00 22.43 H new ATOM 0 HG3 LYS A 99 -12.478 1.823 -2.494 1.00 22.43 H new ATOM 0 HD2 LYS A 99 -12.167 0.667 -5.122 1.00 32.12 H new ATOM 0 HD3 LYS A 99 -13.327 -0.307 -4.240 1.00 32.12 H new ATOM 0 HE2 LYS A 99 -14.526 1.423 -5.452 1.00 42.11 H new ATOM 0 HE3 LYS A 99 -14.659 1.752 -3.736 1.00 42.11 H new ATOM 0 HZ1 LYS A 99 -14.162 3.734 -5.007 1.00 33.01 H new ATOM 0 HZ2 LYS A 99 -12.904 3.379 -3.923 1.00 33.01 H new ATOM 0 HZ3 LYS A 99 -12.721 3.039 -5.576 1.00 33.01 H new ATOM 1697 N SER A 100 -7.632 0.204 -2.177 1.00 21.55 N ATOM 1698 CA SER A 100 -6.237 0.009 -2.534 1.00 50.10 C ATOM 1699 C SER A 100 -6.116 -1.409 -3.082 1.00 4.35 C ATOM 1700 O SER A 100 -6.525 -2.357 -2.413 1.00 70.42 O ATOM 1701 CB SER A 100 -5.323 0.286 -1.325 1.00 11.03 C ATOM 1702 OG SER A 100 -3.959 0.074 -1.642 1.00 24.44 O ATOM 0 H SER A 100 -8.095 -0.658 -1.887 1.00 21.55 H new ATOM 0 HA SER A 100 -5.909 0.712 -3.300 1.00 50.10 H new ATOM 0 HB2 SER A 100 -5.464 1.314 -0.990 1.00 11.03 H new ATOM 0 HB3 SER A 100 -5.609 -0.361 -0.496 1.00 11.03 H new ATOM 0 HG SER A 100 -3.407 0.260 -0.854 1.00 24.44 H new ATOM 1708 N VAL A 101 -5.576 -1.507 -4.302 1.00 45.05 N ATOM 1709 CA VAL A 101 -5.364 -2.752 -5.020 1.00 23.22 C ATOM 1710 C VAL A 101 -3.889 -2.777 -5.439 1.00 63.20 C ATOM 1711 O VAL A 101 -3.517 -2.134 -6.421 1.00 62.11 O ATOM 1712 CB VAL A 101 -6.275 -2.867 -6.280 1.00 2.42 C ATOM 1713 CG1 VAL A 101 -6.012 -4.146 -7.107 1.00 0.50 C ATOM 1714 CG2 VAL A 101 -7.766 -2.800 -5.904 1.00 60.44 C ATOM 0 H VAL A 101 -5.267 -0.689 -4.828 1.00 45.05 H new ATOM 0 HA VAL A 101 -5.618 -3.594 -4.376 1.00 23.22 H new ATOM 0 HB VAL A 101 -6.017 -2.011 -6.904 1.00 2.42 H new ATOM 0 HG11 VAL A 101 -6.678 -4.165 -7.969 1.00 0.50 H new ATOM 0 HG12 VAL A 101 -4.977 -4.152 -7.448 1.00 0.50 H new ATOM 0 HG13 VAL A 101 -6.195 -5.024 -6.488 1.00 0.50 H new ATOM 0 HG21 VAL A 101 -8.373 -2.883 -6.806 1.00 60.44 H new ATOM 0 HG22 VAL A 101 -8.008 -3.619 -5.227 1.00 60.44 H new ATOM 0 HG23 VAL A 101 -7.975 -1.850 -5.412 1.00 60.44 H new ATOM 1724 N THR A 102 -3.083 -3.522 -4.671 1.00 1.42 N ATOM 1725 CA THR A 102 -1.731 -3.931 -5.051 1.00 32.21 C ATOM 1726 C THR A 102 -1.834 -5.108 -6.041 1.00 75.43 C ATOM 1727 O THR A 102 -2.780 -5.890 -5.952 1.00 20.23 O ATOM 1728 CB THR A 102 -0.924 -4.397 -3.811 1.00 51.52 C ATOM 1729 OG1 THR A 102 -0.831 -3.326 -2.892 1.00 54.43 O ATOM 1730 CG2 THR A 102 0.510 -4.895 -4.085 1.00 34.32 C ATOM 0 H THR A 102 -3.361 -3.862 -3.751 1.00 1.42 H new ATOM 0 HA THR A 102 -1.221 -3.081 -5.503 1.00 32.21 H new ATOM 0 HB THR A 102 -1.478 -5.254 -3.429 1.00 51.52 H new ATOM 0 HG1 THR A 102 -0.323 -3.614 -2.105 1.00 54.43 H new ATOM 0 HG21 THR A 102 0.977 -5.194 -3.147 1.00 34.32 H new ATOM 0 HG22 THR A 102 0.476 -5.749 -4.761 1.00 34.32 H new ATOM 0 HG23 THR A 102 1.092 -4.094 -4.541 1.00 34.32 H new ATOM 1738 N GLU A 103 -0.879 -5.196 -6.974 1.00 20.12 N ATOM 1739 CA GLU A 103 -0.871 -6.167 -8.058 1.00 73.42 C ATOM 1740 C GLU A 103 0.573 -6.508 -8.427 1.00 13.32 C ATOM 1741 O GLU A 103 1.292 -5.645 -8.926 1.00 20.43 O ATOM 1742 CB GLU A 103 -1.695 -5.619 -9.243 1.00 53.31 C ATOM 1743 CG GLU A 103 -1.662 -6.505 -10.505 1.00 32.21 C ATOM 1744 CD GLU A 103 -2.667 -6.082 -11.577 1.00 32.03 C ATOM 1745 OE1 GLU A 103 -3.004 -4.879 -11.624 1.00 65.33 O ATOM 1746 OE2 GLU A 103 -3.078 -6.982 -12.339 1.00 34.52 O1- ATOM 0 H GLU A 103 -0.071 -4.574 -6.990 1.00 20.12 H new ATOM 0 HA GLU A 103 -1.344 -7.099 -7.750 1.00 73.42 H new ATOM 0 HB2 GLU A 103 -2.731 -5.499 -8.925 1.00 53.31 H new ATOM 0 HB3 GLU A 103 -1.324 -4.627 -9.500 1.00 53.31 H new ATOM 0 HG2 GLU A 103 -0.658 -6.480 -10.930 1.00 32.21 H new ATOM 0 HG3 GLU A 103 -1.862 -7.538 -10.219 1.00 32.21 H new ATOM 1753 N LEU A 104 0.948 -7.773 -8.188 1.00 42.30 N ATOM 1754 CA LEU A 104 2.238 -8.352 -8.538 1.00 11.24 C ATOM 1755 C LEU A 104 2.122 -9.055 -9.897 1.00 73.12 C ATOM 1756 O LEU A 104 1.297 -9.951 -10.044 1.00 4.51 O ATOM 1757 CB LEU A 104 2.645 -9.319 -7.399 1.00 54.01 C ATOM 1758 CG LEU A 104 3.903 -10.185 -7.635 1.00 32.33 C ATOM 1759 CD1 LEU A 104 5.166 -9.325 -7.765 1.00 75.11 C ATOM 1760 CD2 LEU A 104 4.072 -11.236 -6.522 1.00 4.54 C ATOM 0 H LEU A 104 0.331 -8.441 -7.727 1.00 42.30 H new ATOM 0 HA LEU A 104 3.013 -7.592 -8.638 1.00 11.24 H new ATOM 0 HB2 LEU A 104 2.802 -8.731 -6.495 1.00 54.01 H new ATOM 0 HB3 LEU A 104 1.805 -9.986 -7.204 1.00 54.01 H new ATOM 0 HG LEU A 104 3.760 -10.709 -8.580 1.00 32.33 H new ATOM 0 HD11 LEU A 104 6.030 -9.969 -7.930 1.00 75.11 H new ATOM 0 HD12 LEU A 104 5.056 -8.642 -8.608 1.00 75.11 H new ATOM 0 HD13 LEU A 104 5.311 -8.751 -6.850 1.00 75.11 H new ATOM 0 HD21 LEU A 104 4.965 -11.830 -6.715 1.00 4.54 H new ATOM 0 HD22 LEU A 104 4.171 -10.734 -5.560 1.00 4.54 H new ATOM 0 HD23 LEU A 104 3.199 -11.889 -6.502 1.00 4.54 H new ATOM 1772 N ASN A 105 2.985 -8.658 -10.844 1.00 34.14 N ATOM 1773 CA ASN A 105 3.212 -9.323 -12.131 1.00 71.15 C ATOM 1774 C ASN A 105 4.731 -9.501 -12.260 1.00 24.52 C ATOM 1775 O ASN A 105 5.361 -8.871 -13.110 1.00 10.23 O ATOM 1776 CB ASN A 105 2.566 -8.490 -13.272 1.00 53.44 C ATOM 1777 CG ASN A 105 1.117 -8.885 -13.573 1.00 71.14 C ATOM 1778 OD1 ASN A 105 0.858 -9.568 -14.560 1.00 72.43 O ATOM 1779 ND2 ASN A 105 0.170 -8.449 -12.743 1.00 74.43 N ATOM 0 H ASN A 105 3.568 -7.829 -10.727 1.00 34.14 H new ATOM 0 HA ASN A 105 2.742 -10.304 -12.197 1.00 71.15 H new ATOM 0 HB2 ASN A 105 2.598 -7.434 -13.003 1.00 53.44 H new ATOM 0 HB3 ASN A 105 3.161 -8.606 -14.178 1.00 53.44 H new ATOM 0 HD21 ASN A 105 -0.808 -8.681 -12.918 1.00 74.43 H new ATOM 0 HD22 ASN A 105 0.423 -7.883 -11.933 1.00 74.43 H new ATOM 1786 N GLY A 106 5.284 -10.369 -11.390 1.00 41.51 N ATOM 1787 CA GLY A 106 6.698 -10.739 -11.346 1.00 24.53 C ATOM 1788 C GLY A 106 7.551 -9.530 -10.950 1.00 44.41 C ATOM 1789 O GLY A 106 7.562 -9.126 -9.787 1.00 71.31 O ATOM 0 H GLY A 106 4.732 -10.844 -10.676 1.00 41.51 H new ATOM 0 HA2 GLY A 106 6.847 -11.548 -10.631 1.00 24.53 H new ATOM 0 HA3 GLY A 106 7.014 -11.112 -12.320 1.00 24.53 H new ATOM 1793 N ASP A 107 8.269 -8.970 -11.935 1.00 35.04 N ATOM 1794 CA ASP A 107 9.087 -7.766 -11.786 1.00 74.01 C ATOM 1795 C ASP A 107 8.284 -6.452 -11.730 1.00 4.24 C ATOM 1796 O ASP A 107 8.880 -5.430 -11.399 1.00 62.20 O ATOM 1797 CB ASP A 107 10.230 -7.653 -12.827 1.00 2.23 C ATOM 1798 CG ASP A 107 11.297 -8.756 -12.760 1.00 32.02 C ATOM 1799 OD1 ASP A 107 10.965 -9.898 -12.371 1.00 52.24 O ATOM 1800 OD2 ASP A 107 12.440 -8.438 -13.148 1.00 30.24 O1- ATOM 0 H ASP A 107 8.295 -9.355 -12.879 1.00 35.04 H new ATOM 0 HA ASP A 107 9.543 -7.903 -10.805 1.00 74.01 H new ATOM 0 HB2 ASP A 107 9.791 -7.657 -13.825 1.00 2.23 H new ATOM 0 HB3 ASP A 107 10.721 -6.688 -12.698 1.00 2.23 H new ATOM 1805 N ILE A 108 6.977 -6.477 -12.036 1.00 2.50 N ATOM 1806 CA ILE A 108 6.114 -5.295 -12.056 1.00 64.11 C ATOM 1807 C ILE A 108 5.246 -5.260 -10.785 1.00 2.11 C ATOM 1808 O ILE A 108 4.686 -6.285 -10.399 1.00 22.32 O ATOM 1809 CB ILE A 108 5.160 -5.326 -13.291 1.00 55.52 C ATOM 1810 CG1 ILE A 108 5.918 -5.532 -14.625 1.00 22.44 C ATOM 1811 CG2 ILE A 108 4.219 -4.103 -13.385 1.00 22.33 C ATOM 1812 CD1 ILE A 108 7.052 -4.530 -14.897 1.00 60.45 C ATOM 0 H ILE A 108 6.486 -7.337 -12.280 1.00 2.50 H new ATOM 0 HA ILE A 108 6.754 -4.415 -12.109 1.00 64.11 H new ATOM 0 HB ILE A 108 4.527 -6.197 -13.122 1.00 55.52 H new ATOM 0 HG12 ILE A 108 6.335 -6.539 -14.635 1.00 22.44 H new ATOM 0 HG13 ILE A 108 5.201 -5.475 -15.444 1.00 22.44 H new ATOM 0 HG21 ILE A 108 3.587 -4.197 -14.268 1.00 22.33 H new ATOM 0 HG22 ILE A 108 3.592 -4.057 -12.494 1.00 22.33 H new ATOM 0 HG23 ILE A 108 4.813 -3.192 -13.459 1.00 22.33 H new ATOM 0 HD11 ILE A 108 7.519 -4.760 -15.855 1.00 60.45 H new ATOM 0 HD12 ILE A 108 6.645 -3.519 -14.925 1.00 60.45 H new ATOM 0 HD13 ILE A 108 7.797 -4.599 -14.104 1.00 60.45 H new ATOM 1824 N ILE A 109 5.128 -4.061 -10.193 1.00 40.12 N ATOM 1825 CA ILE A 109 4.219 -3.756 -9.091 1.00 22.33 C ATOM 1826 C ILE A 109 3.346 -2.564 -9.516 1.00 1.23 C ATOM 1827 O ILE A 109 3.817 -1.428 -9.526 1.00 51.11 O ATOM 1828 CB ILE A 109 4.976 -3.406 -7.773 1.00 71.12 C ATOM 1829 CG1 ILE A 109 5.791 -4.598 -7.234 1.00 33.11 C ATOM 1830 CG2 ILE A 109 4.102 -2.795 -6.650 1.00 12.12 C ATOM 1831 CD1 ILE A 109 4.973 -5.783 -6.710 1.00 34.14 C ATOM 0 H ILE A 109 5.683 -3.255 -10.482 1.00 40.12 H new ATOM 0 HA ILE A 109 3.616 -4.640 -8.883 1.00 22.33 H new ATOM 0 HB ILE A 109 5.661 -2.613 -8.075 1.00 71.12 H new ATOM 0 HG12 ILE A 109 6.445 -4.956 -8.029 1.00 33.11 H new ATOM 0 HG13 ILE A 109 6.434 -4.240 -6.429 1.00 33.11 H new ATOM 0 HG21 ILE A 109 4.722 -2.588 -5.778 1.00 12.12 H new ATOM 0 HG22 ILE A 109 3.652 -1.867 -7.003 1.00 12.12 H new ATOM 0 HG23 ILE A 109 3.316 -3.499 -6.377 1.00 12.12 H new ATOM 0 HD11 ILE A 109 5.648 -6.563 -6.356 1.00 34.14 H new ATOM 0 HD12 ILE A 109 4.338 -5.452 -5.888 1.00 34.14 H new ATOM 0 HD13 ILE A 109 4.350 -6.178 -7.512 1.00 34.14 H new ATOM 1843 N THR A 110 2.084 -2.860 -9.850 1.00 33.21 N ATOM 1844 CA THR A 110 1.034 -1.869 -10.060 1.00 2.23 C ATOM 1845 C THR A 110 0.264 -1.720 -8.735 1.00 12.04 C ATOM 1846 O THR A 110 -0.041 -2.727 -8.102 1.00 75.51 O ATOM 1847 CB THR A 110 0.056 -2.348 -11.167 1.00 74.14 C ATOM 1848 OG1 THR A 110 0.750 -2.369 -12.401 1.00 72.01 O ATOM 1849 CG2 THR A 110 -1.214 -1.495 -11.355 1.00 2.10 C ATOM 0 H THR A 110 1.762 -3.819 -9.984 1.00 33.21 H new ATOM 0 HA THR A 110 1.471 -0.920 -10.371 1.00 2.23 H new ATOM 0 HB THR A 110 -0.287 -3.330 -10.842 1.00 74.14 H new ATOM 0 HG1 THR A 110 0.146 -2.671 -13.111 1.00 72.01 H new ATOM 0 HG21 THR A 110 -1.823 -1.920 -12.152 1.00 2.10 H new ATOM 0 HG22 THR A 110 -1.786 -1.485 -10.427 1.00 2.10 H new ATOM 0 HG23 THR A 110 -0.932 -0.476 -11.619 1.00 2.10 H new ATOM 1857 N ASN A 111 -0.023 -0.475 -8.327 1.00 1.30 N ATOM 1858 CA ASN A 111 -0.739 -0.173 -7.089 1.00 43.31 C ATOM 1859 C ASN A 111 -1.665 1.024 -7.333 1.00 23.34 C ATOM 1860 O ASN A 111 -1.228 2.167 -7.223 1.00 30.24 O ATOM 1861 CB ASN A 111 0.270 0.023 -5.925 1.00 72.52 C ATOM 1862 CG ASN A 111 -0.365 0.356 -4.563 1.00 11.42 C ATOM 1863 OD1 ASN A 111 0.166 1.183 -3.826 1.00 15.41 O ATOM 1864 ND2 ASN A 111 -1.488 -0.279 -4.215 1.00 44.55 N ATOM 0 H ASN A 111 0.240 0.356 -8.856 1.00 1.30 H new ATOM 0 HA ASN A 111 -1.375 -1.004 -6.784 1.00 43.31 H new ATOM 0 HB2 ASN A 111 0.862 -0.886 -5.820 1.00 72.52 H new ATOM 0 HB3 ASN A 111 0.960 0.823 -6.193 1.00 72.52 H new ATOM 0 HD21 ASN A 111 -1.928 -0.082 -3.316 1.00 44.55 H new ATOM 0 HD22 ASN A 111 -1.906 -0.961 -4.848 1.00 44.55 H new ATOM 1871 N THR A 112 -2.935 0.720 -7.638 1.00 70.33 N ATOM 1872 CA THR A 112 -4.007 1.707 -7.751 1.00 53.43 C ATOM 1873 C THR A 112 -4.668 1.912 -6.378 1.00 64.33 C ATOM 1874 O THR A 112 -4.892 0.936 -5.664 1.00 23.24 O ATOM 1875 CB THR A 112 -5.095 1.234 -8.750 1.00 52.13 C ATOM 1876 OG1 THR A 112 -4.501 1.060 -10.023 1.00 1.20 O ATOM 1877 CG2 THR A 112 -6.286 2.199 -8.925 1.00 71.42 C ATOM 0 H THR A 112 -3.246 -0.235 -7.815 1.00 70.33 H new ATOM 0 HA THR A 112 -3.569 2.639 -8.110 1.00 53.43 H new ATOM 0 HB THR A 112 -5.494 0.311 -8.329 1.00 52.13 H new ATOM 0 HG1 THR A 112 -5.180 0.759 -10.662 1.00 1.20 H new ATOM 0 HG21 THR A 112 -6.991 1.780 -9.642 1.00 71.42 H new ATOM 0 HG22 THR A 112 -6.784 2.340 -7.966 1.00 71.42 H new ATOM 0 HG23 THR A 112 -5.925 3.160 -9.291 1.00 71.42 H new ATOM 1885 N MET A 113 -4.976 3.175 -6.047 1.00 51.12 N ATOM 1886 CA MET A 113 -5.700 3.584 -4.842 1.00 1.03 C ATOM 1887 C MET A 113 -6.838 4.540 -5.236 1.00 4.14 C ATOM 1888 O MET A 113 -6.752 5.193 -6.274 1.00 24.23 O ATOM 1889 CB MET A 113 -4.731 4.257 -3.849 1.00 21.14 C ATOM 1890 CG MET A 113 -3.639 3.328 -3.283 1.00 14.13 C ATOM 1891 SD MET A 113 -2.238 4.159 -2.482 1.00 42.25 S ATOM 1892 CE MET A 113 -3.092 5.141 -1.223 1.00 63.21 C ATOM 0 H MET A 113 -4.716 3.966 -6.636 1.00 51.12 H new ATOM 0 HA MET A 113 -6.130 2.710 -4.353 1.00 1.03 H new ATOM 0 HB2 MET A 113 -4.250 5.099 -4.346 1.00 21.14 H new ATOM 0 HB3 MET A 113 -5.308 4.664 -3.019 1.00 21.14 H new ATOM 0 HG2 MET A 113 -4.100 2.654 -2.561 1.00 14.13 H new ATOM 0 HG3 MET A 113 -3.256 2.711 -4.096 1.00 14.13 H new ATOM 0 HE1 MET A 113 -2.358 5.654 -0.602 1.00 63.21 H new ATOM 0 HE2 MET A 113 -3.733 5.876 -1.708 1.00 63.21 H new ATOM 0 HE3 MET A 113 -3.700 4.485 -0.600 1.00 63.21 H new ATOM 1902 N THR A 114 -7.900 4.606 -4.414 1.00 31.21 N ATOM 1903 CA THR A 114 -9.085 5.412 -4.712 1.00 32.02 C ATOM 1904 C THR A 114 -9.731 5.962 -3.426 1.00 0.44 C ATOM 1905 O THR A 114 -10.636 5.330 -2.880 1.00 11.44 O ATOM 1906 CB THR A 114 -10.157 4.639 -5.541 1.00 42.22 C ATOM 1907 OG1 THR A 114 -9.592 3.980 -6.658 1.00 43.55 O ATOM 1908 CG2 THR A 114 -11.290 5.541 -6.061 1.00 33.33 C ATOM 0 H THR A 114 -7.956 4.102 -3.529 1.00 31.21 H new ATOM 0 HA THR A 114 -8.728 6.241 -5.322 1.00 32.02 H new ATOM 0 HB THR A 114 -10.569 3.914 -4.839 1.00 42.22 H new ATOM 0 HG1 THR A 114 -10.296 3.507 -7.149 1.00 43.55 H new ATOM 0 HG21 THR A 114 -12.001 4.941 -6.629 1.00 33.33 H new ATOM 0 HG22 THR A 114 -11.800 6.007 -5.218 1.00 33.33 H new ATOM 0 HG23 THR A 114 -10.872 6.315 -6.705 1.00 33.33 H new ATOM 1916 N LEU A 115 -9.265 7.143 -2.982 1.00 10.34 N ATOM 1917 CA LEU A 115 -9.889 7.935 -1.916 1.00 5.52 C ATOM 1918 C LEU A 115 -11.008 8.780 -2.534 1.00 24.12 C ATOM 1919 O LEU A 115 -10.696 9.755 -3.213 1.00 22.44 O ATOM 1920 CB LEU A 115 -8.814 8.821 -1.229 1.00 61.42 C ATOM 1921 CG LEU A 115 -9.259 9.578 0.058 1.00 64.31 C ATOM 1922 CD1 LEU A 115 -8.033 10.063 0.856 1.00 24.21 C ATOM 1923 CD2 LEU A 115 -10.240 10.748 -0.163 1.00 4.21 C ATOM 0 H LEU A 115 -8.426 7.579 -3.365 1.00 10.34 H new ATOM 0 HA LEU A 115 -10.319 7.288 -1.152 1.00 5.52 H new ATOM 0 HB2 LEU A 115 -7.962 8.190 -0.977 1.00 61.42 H new ATOM 0 HB3 LEU A 115 -8.463 9.556 -1.953 1.00 61.42 H new ATOM 0 HG LEU A 115 -9.821 8.837 0.627 1.00 64.31 H new ATOM 0 HD11 LEU A 115 -8.366 10.589 1.751 1.00 24.21 H new ATOM 0 HD12 LEU A 115 -7.424 9.206 1.144 1.00 24.21 H new ATOM 0 HD13 LEU A 115 -7.440 10.738 0.238 1.00 24.21 H new ATOM 0 HD21 LEU A 115 -10.484 11.204 0.796 1.00 4.21 H new ATOM 0 HD22 LEU A 115 -9.778 11.492 -0.812 1.00 4.21 H new ATOM 0 HD23 LEU A 115 -11.152 10.375 -0.630 1.00 4.21 H new ATOM 1935 N GLY A 116 -12.274 8.415 -2.268 1.00 61.13 N ATOM 1936 CA GLY A 116 -13.464 9.176 -2.661 1.00 30.35 C ATOM 1937 C GLY A 116 -13.583 9.295 -4.188 1.00 51.00 C ATOM 1938 O GLY A 116 -14.061 8.370 -4.842 1.00 22.24 O ATOM 0 H GLY A 116 -12.500 7.560 -1.760 1.00 61.13 H new ATOM 0 HA2 GLY A 116 -14.355 8.690 -2.263 1.00 30.35 H new ATOM 0 HA3 GLY A 116 -13.421 10.172 -2.220 1.00 30.35 H new ATOM 1942 N ASP A 117 -13.154 10.452 -4.721 1.00 63.23 N ATOM 1943 CA ASP A 117 -13.169 10.809 -6.143 1.00 14.31 C ATOM 1944 C ASP A 117 -11.738 10.870 -6.741 1.00 43.04 C ATOM 1945 O ASP A 117 -11.604 11.112 -7.941 1.00 1.34 O ATOM 1946 CB ASP A 117 -13.881 12.178 -6.305 1.00 3.04 C ATOM 1947 CG ASP A 117 -14.467 12.432 -7.697 1.00 74.25 C ATOM 1948 OD1 ASP A 117 -15.190 11.537 -8.187 1.00 74.43 O ATOM 1949 OD2 ASP A 117 -14.261 13.557 -8.201 1.00 23.23 O1- ATOM 0 H ASP A 117 -12.769 11.197 -4.140 1.00 63.23 H new ATOM 0 HA ASP A 117 -13.708 10.036 -6.690 1.00 14.31 H new ATOM 0 HB2 ASP A 117 -14.683 12.245 -5.570 1.00 3.04 H new ATOM 0 HB3 ASP A 117 -13.170 12.972 -6.074 1.00 3.04 H new ATOM 1954 N ILE A 118 -10.695 10.680 -5.916 1.00 4.54 N ATOM 1955 CA ILE A 118 -9.290 10.883 -6.273 1.00 44.24 C ATOM 1956 C ILE A 118 -8.631 9.513 -6.523 1.00 5.21 C ATOM 1957 O ILE A 118 -8.317 8.796 -5.570 1.00 5.44 O ATOM 1958 CB ILE A 118 -8.520 11.625 -5.140 1.00 22.24 C ATOM 1959 CG1 ILE A 118 -9.175 12.978 -4.770 1.00 24.45 C ATOM 1960 CG2 ILE A 118 -7.027 11.846 -5.471 1.00 14.20 C ATOM 1961 CD1 ILE A 118 -8.969 13.366 -3.301 1.00 24.45 C ATOM 0 H ILE A 118 -10.816 10.371 -4.952 1.00 4.54 H new ATOM 0 HA ILE A 118 -9.248 11.497 -7.173 1.00 44.24 H new ATOM 0 HB ILE A 118 -8.580 10.961 -4.278 1.00 22.24 H new ATOM 0 HG12 ILE A 118 -8.763 13.760 -5.407 1.00 24.45 H new ATOM 0 HG13 ILE A 118 -10.243 12.927 -4.979 1.00 24.45 H new ATOM 0 HG21 ILE A 118 -6.544 12.367 -4.644 1.00 14.20 H new ATOM 0 HG22 ILE A 118 -6.542 10.882 -5.625 1.00 14.20 H new ATOM 0 HG23 ILE A 118 -6.940 12.445 -6.378 1.00 14.20 H new ATOM 0 HD11 ILE A 118 -9.452 14.324 -3.106 1.00 24.45 H new ATOM 0 HD12 ILE A 118 -9.406 12.602 -2.658 1.00 24.45 H new ATOM 0 HD13 ILE A 118 -7.902 13.449 -3.093 1.00 24.45 H new ATOM 1973 N VAL A 119 -8.458 9.177 -7.812 1.00 72.05 N ATOM 1974 CA VAL A 119 -7.948 7.885 -8.270 1.00 54.42 C ATOM 1975 C VAL A 119 -6.415 7.965 -8.451 1.00 43.45 C ATOM 1976 O VAL A 119 -5.926 8.220 -9.553 1.00 32.12 O ATOM 1977 CB VAL A 119 -8.616 7.452 -9.612 1.00 54.43 C ATOM 1978 CG1 VAL A 119 -8.179 6.042 -10.068 1.00 63.22 C ATOM 1979 CG2 VAL A 119 -10.154 7.501 -9.543 1.00 54.54 C ATOM 0 H VAL A 119 -8.675 9.815 -8.578 1.00 72.05 H new ATOM 0 HA VAL A 119 -8.192 7.138 -7.515 1.00 54.42 H new ATOM 0 HB VAL A 119 -8.270 8.179 -10.347 1.00 54.43 H new ATOM 0 HG11 VAL A 119 -8.675 5.793 -11.006 1.00 63.22 H new ATOM 0 HG12 VAL A 119 -7.099 6.025 -10.212 1.00 63.22 H new ATOM 0 HG13 VAL A 119 -8.455 5.312 -9.307 1.00 63.22 H new ATOM 0 HG21 VAL A 119 -10.571 7.191 -10.501 1.00 54.54 H new ATOM 0 HG22 VAL A 119 -10.505 6.829 -8.760 1.00 54.54 H new ATOM 0 HG23 VAL A 119 -10.476 8.518 -9.319 1.00 54.54 H new ATOM 1989 N PHE A 120 -5.682 7.765 -7.344 1.00 2.03 N ATOM 1990 CA PHE A 120 -4.222 7.679 -7.318 1.00 51.53 C ATOM 1991 C PHE A 120 -3.702 6.379 -7.963 1.00 21.53 C ATOM 1992 O PHE A 120 -4.358 5.343 -7.870 1.00 55.54 O ATOM 1993 CB PHE A 120 -3.746 7.864 -5.859 1.00 62.43 C ATOM 1994 CG PHE A 120 -2.248 7.759 -5.609 1.00 13.04 C ATOM 1995 CD1 PHE A 120 -1.663 6.538 -5.209 1.00 51.13 C ATOM 1996 CD2 PHE A 120 -1.405 8.842 -5.928 1.00 1.44 C ATOM 1997 CE1 PHE A 120 -0.288 6.442 -5.043 1.00 44.00 C ATOM 1998 CE2 PHE A 120 -0.031 8.718 -5.776 1.00 45.44 C ATOM 1999 CZ PHE A 120 0.524 7.534 -5.315 1.00 63.23 C ATOM 0 H PHE A 120 -6.104 7.657 -6.422 1.00 2.03 H new ATOM 0 HA PHE A 120 -3.798 8.477 -7.928 1.00 51.53 H new ATOM 0 HB2 PHE A 120 -4.081 8.842 -5.514 1.00 62.43 H new ATOM 0 HB3 PHE A 120 -4.247 7.119 -5.241 1.00 62.43 H new ATOM 0 HD1 PHE A 120 -2.288 5.675 -5.031 1.00 51.13 H new ATOM 0 HD2 PHE A 120 -1.828 9.768 -6.290 1.00 1.44 H new ATOM 0 HE1 PHE A 120 0.150 5.516 -4.702 1.00 44.00 H new ATOM 0 HE2 PHE A 120 0.612 9.551 -6.019 1.00 45.44 H new ATOM 0 HZ PHE A 120 1.591 7.461 -5.167 1.00 63.23 H new ATOM 2009 N LYS A 121 -2.512 6.452 -8.573 1.00 14.14 N ATOM 2010 CA LYS A 121 -1.748 5.284 -9.002 1.00 24.41 C ATOM 2011 C LYS A 121 -0.283 5.431 -8.598 1.00 1.12 C ATOM 2012 O LYS A 121 0.230 6.542 -8.470 1.00 5.40 O ATOM 2013 CB LYS A 121 -1.840 5.075 -10.529 1.00 61.44 C ATOM 2014 CG LYS A 121 -3.074 4.307 -11.031 1.00 13.52 C ATOM 2015 CD LYS A 121 -4.192 5.208 -11.576 1.00 1.43 C ATOM 2016 CE LYS A 121 -5.283 4.416 -12.314 1.00 11.33 C ATOM 2017 NZ LYS A 121 -4.754 3.763 -13.527 1.00 31.52 N1+ ATOM 0 H LYS A 121 -2.051 7.337 -8.783 1.00 14.14 H new ATOM 0 HA LYS A 121 -2.179 4.413 -8.509 1.00 24.41 H new ATOM 0 HB2 LYS A 121 -1.824 6.052 -11.011 1.00 61.44 H new ATOM 0 HB3 LYS A 121 -0.947 4.543 -10.857 1.00 61.44 H new ATOM 0 HG2 LYS A 121 -2.765 3.615 -11.814 1.00 13.52 H new ATOM 0 HG3 LYS A 121 -3.472 3.706 -10.214 1.00 13.52 H new ATOM 0 HD2 LYS A 121 -4.644 5.759 -10.751 1.00 1.43 H new ATOM 0 HD3 LYS A 121 -3.762 5.945 -12.254 1.00 1.43 H new ATOM 0 HE2 LYS A 121 -5.700 3.662 -11.647 1.00 11.33 H new ATOM 0 HE3 LYS A 121 -6.098 5.086 -12.587 1.00 11.33 H new ATOM 0 HZ1 LYS A 121 -5.544 3.487 -14.145 1.00 31.52 H new ATOM 0 HZ2 LYS A 121 -4.132 4.424 -14.034 1.00 31.52 H new ATOM 0 HZ3 LYS A 121 -4.213 2.917 -13.258 1.00 31.52 H new ATOM 2031 N ARG A 122 0.358 4.264 -8.483 1.00 54.11 N ATOM 2032 CA ARG A 122 1.788 4.088 -8.337 1.00 51.51 C ATOM 2033 C ARG A 122 2.183 2.862 -9.162 1.00 51.43 C ATOM 2034 O ARG A 122 1.496 1.842 -9.123 1.00 64.24 O ATOM 2035 CB ARG A 122 2.151 3.930 -6.843 1.00 71.25 C ATOM 2036 CG ARG A 122 3.080 5.056 -6.368 1.00 23.43 C ATOM 2037 CD ARG A 122 3.492 4.934 -4.894 1.00 72.20 C ATOM 2038 NE ARG A 122 4.459 3.846 -4.684 1.00 11.34 N ATOM 2039 CZ ARG A 122 4.619 3.118 -3.566 1.00 52.00 C ATOM 2040 NH1 ARG A 122 3.833 3.289 -2.491 1.00 71.04 N1+ ATOM 2041 NH2 ARG A 122 5.588 2.194 -3.528 1.00 41.43 N ATOM 0 H ARG A 122 -0.142 3.375 -8.491 1.00 54.11 H new ATOM 0 HA ARG A 122 2.337 4.957 -8.700 1.00 51.51 H new ATOM 0 HB2 ARG A 122 1.240 3.931 -6.244 1.00 71.25 H new ATOM 0 HB3 ARG A 122 2.635 2.966 -6.685 1.00 71.25 H new ATOM 0 HG2 ARG A 122 3.977 5.061 -6.988 1.00 23.43 H new ATOM 0 HG3 ARG A 122 2.582 6.014 -6.519 1.00 23.43 H new ATOM 0 HD2 ARG A 122 3.927 5.876 -4.559 1.00 72.20 H new ATOM 0 HD3 ARG A 122 2.607 4.756 -4.283 1.00 72.20 H new ATOM 0 HE ARG A 122 5.071 3.621 -5.468 1.00 11.34 H new ATOM 0 HH11 ARG A 122 3.090 3.987 -2.509 1.00 71.04 H new ATOM 0 HH12 ARG A 122 3.979 2.721 -1.657 1.00 71.04 H new ATOM 0 HH21 ARG A 122 6.190 2.052 -4.339 1.00 41.43 H new ATOM 0 HH22 ARG A 122 5.724 1.632 -2.688 1.00 41.43 H new ATOM 2055 N ILE A 123 3.293 3.002 -9.891 1.00 23.42 N ATOM 2056 CA ILE A 123 3.905 1.960 -10.700 1.00 74.43 C ATOM 2057 C ILE A 123 5.362 1.855 -10.229 1.00 3.34 C ATOM 2058 O ILE A 123 6.023 2.880 -10.062 1.00 11.31 O ATOM 2059 CB ILE A 123 3.871 2.303 -12.221 1.00 53.55 C ATOM 2060 CG1 ILE A 123 2.420 2.501 -12.731 1.00 33.41 C ATOM 2061 CG2 ILE A 123 4.565 1.219 -13.078 1.00 70.43 C ATOM 2062 CD1 ILE A 123 1.916 3.952 -12.675 1.00 23.05 C ATOM 0 H ILE A 123 3.806 3.883 -9.931 1.00 23.42 H new ATOM 0 HA ILE A 123 3.359 1.024 -10.579 1.00 74.43 H new ATOM 0 HB ILE A 123 4.420 3.239 -12.330 1.00 53.55 H new ATOM 0 HG12 ILE A 123 2.359 2.148 -13.761 1.00 33.41 H new ATOM 0 HG13 ILE A 123 1.752 1.875 -12.140 1.00 33.41 H new ATOM 0 HG21 ILE A 123 4.517 1.501 -14.130 1.00 70.43 H new ATOM 0 HG22 ILE A 123 5.608 1.128 -12.774 1.00 70.43 H new ATOM 0 HG23 ILE A 123 4.060 0.264 -12.935 1.00 70.43 H new ATOM 0 HD11 ILE A 123 0.894 3.997 -13.050 1.00 23.05 H new ATOM 0 HD12 ILE A 123 1.940 4.306 -11.644 1.00 23.05 H new ATOM 0 HD13 ILE A 123 2.556 4.584 -13.291 1.00 23.05 H new ATOM 2074 N SER A 124 5.814 0.616 -9.996 1.00 71.20 N ATOM 2075 CA SER A 124 7.134 0.277 -9.473 1.00 14.32 C ATOM 2076 C SER A 124 7.674 -0.961 -10.217 1.00 44.33 C ATOM 2077 O SER A 124 6.883 -1.745 -10.743 1.00 2.24 O ATOM 2078 CB SER A 124 7.021 0.041 -7.951 1.00 41.23 C ATOM 2079 OG SER A 124 6.819 1.255 -7.256 1.00 61.04 O ATOM 0 H SER A 124 5.242 -0.209 -10.176 1.00 71.20 H new ATOM 0 HA SER A 124 7.840 1.091 -9.636 1.00 14.32 H new ATOM 0 HB2 SER A 124 6.194 -0.639 -7.747 1.00 41.23 H new ATOM 0 HB3 SER A 124 7.928 -0.442 -7.588 1.00 41.23 H new ATOM 0 HG SER A 124 6.750 1.074 -6.295 1.00 61.04 H new ATOM 2085 N LYS A 125 9.011 -1.113 -10.256 1.00 51.44 N ATOM 2086 CA LYS A 125 9.693 -2.201 -10.961 1.00 72.03 C ATOM 2087 C LYS A 125 10.918 -2.688 -10.165 1.00 64.24 C ATOM 2088 O LYS A 125 11.597 -1.887 -9.530 1.00 21.30 O ATOM 2089 CB LYS A 125 10.103 -1.735 -12.375 1.00 73.22 C ATOM 2090 CG LYS A 125 10.492 -2.876 -13.339 1.00 42.33 C ATOM 2091 CD LYS A 125 11.495 -2.460 -14.423 1.00 22.14 C ATOM 2092 CE LYS A 125 12.930 -2.332 -13.886 1.00 53.41 C ATOM 2093 NZ LYS A 125 13.877 -1.994 -14.960 1.00 45.34 N1+ ATOM 0 H LYS A 125 9.652 -0.471 -9.790 1.00 51.44 H new ATOM 0 HA LYS A 125 9.006 -3.042 -11.056 1.00 72.03 H new ATOM 0 HB2 LYS A 125 9.277 -1.173 -12.812 1.00 73.22 H new ATOM 0 HB3 LYS A 125 10.945 -1.048 -12.287 1.00 73.22 H new ATOM 0 HG2 LYS A 125 10.916 -3.697 -12.762 1.00 42.33 H new ATOM 0 HG3 LYS A 125 9.590 -3.256 -13.819 1.00 42.33 H new ATOM 0 HD2 LYS A 125 11.477 -3.193 -15.229 1.00 22.14 H new ATOM 0 HD3 LYS A 125 11.186 -1.507 -14.852 1.00 22.14 H new ATOM 0 HE2 LYS A 125 12.964 -1.563 -13.114 1.00 53.41 H new ATOM 0 HE3 LYS A 125 13.229 -3.269 -13.416 1.00 53.41 H new ATOM 0 HZ1 LYS A 125 14.836 -1.915 -14.565 1.00 45.34 H new ATOM 0 HZ2 LYS A 125 13.861 -2.740 -15.684 1.00 45.34 H new ATOM 0 HZ3 LYS A 125 13.604 -1.088 -15.391 1.00 45.34 H new ATOM 2107 N ARG A 126 11.178 -4.002 -10.254 1.00 3.51 N ATOM 2108 CA ARG A 126 12.220 -4.785 -9.581 1.00 31.02 C ATOM 2109 C ARG A 126 13.636 -4.201 -9.730 1.00 63.35 C ATOM 2110 O ARG A 126 13.987 -3.730 -10.813 1.00 31.35 O ATOM 2111 CB ARG A 126 12.147 -6.204 -10.183 1.00 1.25 C ATOM 2112 CG ARG A 126 12.926 -7.340 -9.494 1.00 25.20 C ATOM 2113 CD ARG A 126 12.284 -7.817 -8.181 1.00 61.54 C ATOM 2114 NE ARG A 126 12.844 -9.103 -7.742 1.00 13.10 N ATOM 2115 CZ ARG A 126 14.081 -9.332 -7.268 1.00 1.14 C ATOM 2116 NH1 ARG A 126 14.951 -8.334 -7.061 1.00 52.44 N1+ ATOM 2117 NH2 ARG A 126 14.449 -10.590 -6.993 1.00 75.52 N ATOM 0 H ARG A 126 10.609 -4.597 -10.856 1.00 3.51 H new ATOM 0 HA ARG A 126 12.035 -4.778 -8.507 1.00 31.02 H new ATOM 0 HB2 ARG A 126 11.097 -6.496 -10.216 1.00 1.25 H new ATOM 0 HB3 ARG A 126 12.494 -6.144 -11.215 1.00 1.25 H new ATOM 0 HG2 ARG A 126 13.003 -8.184 -10.179 1.00 25.20 H new ATOM 0 HG3 ARG A 126 13.942 -7.001 -9.290 1.00 25.20 H new ATOM 0 HD2 ARG A 126 12.440 -7.067 -7.405 1.00 61.54 H new ATOM 0 HD3 ARG A 126 11.207 -7.916 -8.316 1.00 61.54 H new ATOM 0 HE ARG A 126 12.225 -9.912 -7.804 1.00 13.10 H new ATOM 0 HH11 ARG A 126 14.681 -7.372 -7.264 1.00 52.44 H new ATOM 0 HH12 ARG A 126 15.883 -8.537 -6.700 1.00 52.44 H new ATOM 0 HH21 ARG A 126 13.794 -11.357 -7.144 1.00 75.52 H new ATOM 0 HH22 ARG A 126 15.384 -10.781 -6.633 1.00 75.52 H new ATOM 2131 N ILE A 127 14.425 -4.276 -8.645 1.00 3.34 N ATOM 2132 CA ILE A 127 15.830 -3.844 -8.588 1.00 44.01 C ATOM 2133 C ILE A 127 16.620 -5.143 -8.648 1.00 43.14 C ATOM 2134 O ILE A 127 17.836 -5.180 -8.820 1.00 12.22 O ATOM 2135 CB ILE A 127 16.166 -2.988 -7.320 1.00 74.44 C ATOM 2136 CG1 ILE A 127 15.069 -1.947 -6.990 1.00 63.15 C ATOM 2137 CG2 ILE A 127 17.535 -2.279 -7.475 1.00 51.55 C ATOM 2138 CD1 ILE A 127 15.343 -1.094 -5.744 1.00 14.32 C ATOM 0 H ILE A 127 14.092 -4.651 -7.757 1.00 3.34 H new ATOM 0 HA ILE A 127 16.078 -3.170 -9.408 1.00 44.01 H new ATOM 0 HB ILE A 127 16.214 -3.687 -6.485 1.00 74.44 H new ATOM 0 HG12 ILE A 127 14.948 -1.284 -7.847 1.00 63.15 H new ATOM 0 HG13 ILE A 127 14.122 -2.469 -6.854 1.00 63.15 H new ATOM 0 HG21 ILE A 127 17.744 -1.692 -6.581 1.00 51.55 H new ATOM 0 HG22 ILE A 127 18.318 -3.025 -7.610 1.00 51.55 H new ATOM 0 HG23 ILE A 127 17.508 -1.621 -8.343 1.00 51.55 H new ATOM 0 HD11 ILE A 127 14.520 -0.395 -5.594 1.00 14.32 H new ATOM 0 HD12 ILE A 127 15.432 -1.742 -4.872 1.00 14.32 H new ATOM 0 HD13 ILE A 127 16.271 -0.539 -5.880 1.00 14.32 H new