USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1005 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 ASN : amide:sc= -0.0863 K(o=-2,f=-5.9!) USER MOD Set 1.2: A 62 LYS NZ :NH3+ -126:sc= -1.9 (180deg=-3.14!) USER MOD Set 2.1: A 42 THR OG1 : rot 66:sc= 1.3 USER MOD Set 2.2: B 67 SER OG : rot 15:sc= 0.587 USER MOD Single : A 8 SER OG : rot 31:sc= 0.235 USER MOD Single : A 9 ASN : amide:sc= -0.0362 X(o=-0.036,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -165:sc= 1.27 (180deg=0.956) USER MOD Single : A 17 GLN : amide:sc= 0.344 X(o=0.34,f=-0.075) USER MOD Single : A 25 LYS NZ :NH3+ 178:sc= 2.35 (180deg=2.24) USER MOD Single : A 29 THR OG1 : rot -118:sc= 0.032 USER MOD Single : A 35 MET CE :methyl 146:sc= -0.304 (180deg=-1.72) USER MOD Single : A 36 CYS SG : rot -93:sc= -0.137 USER MOD Single : A 39 ASN : amide:sc= 1.16 K(o=1.2,f=-0.033) USER MOD Single : A 43 ASN : amide:sc= -0.321 X(o=-0.32,f=-0.65) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -85:sc= 0.252 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 77:sc= 1.09 USER MOD Single : B 8 SER OG : rot 180:sc= -0.189 USER MOD Single : B 9 ASN : amide:sc= -0.034 X(o=-0.034,f=-0.037) USER MOD Single : B 14 LYS NZ :NH3+ 144:sc= 1.12 (180deg=-0.00422) USER MOD Single : B 17 GLN : amide:sc= -0.138 K(o=-0.14,f=-0.69) USER MOD Single : B 25 LYS NZ :NH3+ 163:sc= -0.032 (180deg=-0.288) USER MOD Single : B 29 THR OG1 : rot 90:sc= -0.875 USER MOD Single : B 35 MET CE :methyl 164:sc= -0.0736 (180deg=-0.634) USER MOD Single : B 36 CYS SG : rot 77:sc= 0.917 USER MOD Single : B 39 ASN : amide:sc= 1.18 K(o=1.2,f=-0.066) USER MOD Single : B 42 THR OG1 : rot -154:sc= 0.00261 USER MOD Single : B 43 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.5!) USER MOD Single : B 47 GLN : amide:sc= -0.981 K(o=-0.98,f=-0.39) USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 52 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0809) USER MOD Single : B 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 61 THR OG1 : rot -88:sc= 1.2 USER MOD Single : B 62 LYS NZ :NH3+ -165:sc= 0.264 (180deg=0.172) USER MOD Single : B 65 LYS NZ :NH3+ -133:sc= -0.0126 (180deg=-0.501) USER MOD Single : B 66 GLN : amide:sc= -2.38! K(o=-2.4!,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 123 N SER A 8 -16.218 -10.080 -0.399 1.00 0.00 N ATOM 124 CA SER A 8 -17.323 -9.334 0.161 1.00 0.00 C ATOM 125 C SER A 8 -17.012 -7.846 0.072 1.00 0.00 C ATOM 126 O SER A 8 -16.113 -7.362 0.762 1.00 0.00 O ATOM 127 CB SER A 8 -17.541 -9.748 1.616 1.00 0.00 C ATOM 128 OG SER A 8 -17.585 -11.159 1.742 1.00 0.00 O ATOM 0 HA SER A 8 -18.235 -9.544 -0.398 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.738 -9.349 2.235 1.00 0.00 H new ATOM 0 HB3 SER A 8 -18.472 -9.317 1.985 1.00 0.00 H new ATOM 0 HG SER A 8 -17.014 -11.567 1.058 1.00 0.00 H new ATOM 134 N ASN A 9 -17.726 -7.135 -0.801 1.00 0.00 N ATOM 135 CA ASN A 9 -17.504 -5.699 -0.991 1.00 0.00 C ATOM 136 C ASN A 9 -17.538 -4.969 0.342 1.00 0.00 C ATOM 137 O ASN A 9 -16.692 -4.122 0.613 1.00 0.00 O ATOM 138 CB ASN A 9 -18.557 -5.106 -1.934 1.00 0.00 C ATOM 139 CG ASN A 9 -18.355 -3.618 -2.165 1.00 0.00 C ATOM 140 OD1 ASN A 9 -17.615 -3.212 -3.060 1.00 0.00 O ATOM 141 ND2 ASN A 9 -19.034 -2.793 -1.382 1.00 0.00 N ATOM 0 H ASN A 9 -18.462 -7.528 -1.388 1.00 0.00 H new ATOM 0 HA ASN A 9 -16.519 -5.570 -1.439 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -18.519 -5.628 -2.890 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -19.550 -5.275 -1.518 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -18.953 -1.784 -1.511 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.638 -3.166 -0.650 1.00 0.00 H new ATOM 148 N GLU A 10 -18.511 -5.326 1.172 1.00 0.00 N ATOM 149 CA GLU A 10 -18.656 -4.740 2.498 1.00 0.00 C ATOM 150 C GLU A 10 -17.397 -4.958 3.331 1.00 0.00 C ATOM 151 O GLU A 10 -16.922 -4.047 4.007 1.00 0.00 O ATOM 152 CB GLU A 10 -19.860 -5.352 3.206 1.00 0.00 C ATOM 153 CG GLU A 10 -20.135 -4.758 4.574 1.00 0.00 C ATOM 154 CD GLU A 10 -21.306 -5.424 5.255 1.00 0.00 C ATOM 155 OE1 GLU A 10 -22.422 -5.386 4.694 1.00 0.00 O ATOM 156 OE2 GLU A 10 -21.112 -6.011 6.341 1.00 0.00 O ATOM 0 H GLU A 10 -19.218 -6.026 0.946 1.00 0.00 H new ATOM 0 HA GLU A 10 -18.810 -3.667 2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -20.743 -5.221 2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -19.700 -6.425 3.312 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -19.247 -4.859 5.198 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -20.333 -3.691 4.473 1.00 0.00 H new ATOM 163 N ARG A 11 -16.852 -6.167 3.264 1.00 0.00 N ATOM 164 CA ARG A 11 -15.657 -6.505 4.022 1.00 0.00 C ATOM 165 C ARG A 11 -14.458 -5.709 3.516 1.00 0.00 C ATOM 166 O ARG A 11 -13.700 -5.155 4.304 1.00 0.00 O ATOM 167 CB ARG A 11 -15.366 -8.008 3.948 1.00 0.00 C ATOM 168 CG ARG A 11 -14.137 -8.407 4.742 1.00 0.00 C ATOM 169 CD ARG A 11 -13.989 -9.913 4.872 1.00 0.00 C ATOM 170 NE ARG A 11 -13.042 -10.251 5.933 1.00 0.00 N ATOM 171 CZ ARG A 11 -12.468 -11.445 6.095 1.00 0.00 C ATOM 172 NH1 ARG A 11 -12.749 -12.450 5.278 1.00 0.00 N ATOM 173 NH2 ARG A 11 -11.623 -11.632 7.098 1.00 0.00 N ATOM 0 H ARG A 11 -17.219 -6.928 2.693 1.00 0.00 H new ATOM 0 HA ARG A 11 -15.836 -6.243 5.065 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -16.229 -8.560 4.321 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -15.229 -8.296 2.906 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.249 -7.999 4.260 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.192 -7.964 5.736 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.959 -10.361 5.088 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.647 -10.333 3.926 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.801 -9.518 6.601 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.411 -12.316 4.514 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.303 -13.357 5.413 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.415 -10.867 7.739 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.180 -12.541 7.229 1.00 0.00 H new ATOM 187 N VAL A 12 -14.302 -5.649 2.196 1.00 0.00 N ATOM 188 CA VAL A 12 -13.223 -4.874 1.586 1.00 0.00 C ATOM 189 C VAL A 12 -13.344 -3.407 1.985 1.00 0.00 C ATOM 190 O VAL A 12 -12.362 -2.765 2.362 1.00 0.00 O ATOM 191 CB VAL A 12 -13.243 -4.987 0.046 1.00 0.00 C ATOM 192 CG1 VAL A 12 -12.072 -4.234 -0.569 1.00 0.00 C ATOM 193 CG2 VAL A 12 -13.229 -6.445 -0.388 1.00 0.00 C ATOM 0 H VAL A 12 -14.908 -6.127 1.528 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.279 -5.282 1.948 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.166 -4.532 -0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.108 -4.329 -1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.132 -3.181 -0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.136 -4.652 -0.199 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.243 -6.501 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.327 -6.928 -0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.106 -6.952 0.013 1.00 0.00 H new ATOM 203 N GLU A 13 -14.567 -2.902 1.914 1.00 0.00 N ATOM 204 CA GLU A 13 -14.880 -1.539 2.320 1.00 0.00 C ATOM 205 C GLU A 13 -14.469 -1.304 3.773 1.00 0.00 C ATOM 206 O GLU A 13 -13.902 -0.264 4.114 1.00 0.00 O ATOM 207 CB GLU A 13 -16.382 -1.306 2.143 1.00 0.00 C ATOM 208 CG GLU A 13 -16.855 0.097 2.475 1.00 0.00 C ATOM 209 CD GLU A 13 -18.359 0.224 2.347 1.00 0.00 C ATOM 210 OE1 GLU A 13 -18.853 0.401 1.215 1.00 0.00 O ATOM 211 OE2 GLU A 13 -19.060 0.120 3.374 1.00 0.00 O ATOM 0 H GLU A 13 -15.372 -3.427 1.573 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.325 -0.836 1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.650 -1.529 1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.921 -2.014 2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.553 0.352 3.491 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.371 0.812 1.809 1.00 0.00 H new ATOM 218 N LYS A 14 -14.751 -2.288 4.619 1.00 0.00 N ATOM 219 CA LYS A 14 -14.396 -2.220 6.026 1.00 0.00 C ATOM 220 C LYS A 14 -12.882 -2.220 6.215 1.00 0.00 C ATOM 221 O LYS A 14 -12.346 -1.381 6.933 1.00 0.00 O ATOM 222 CB LYS A 14 -15.010 -3.393 6.791 1.00 0.00 C ATOM 223 CG LYS A 14 -14.644 -3.396 8.264 1.00 0.00 C ATOM 224 CD LYS A 14 -15.121 -4.653 8.966 1.00 0.00 C ATOM 225 CE LYS A 14 -14.724 -4.639 10.431 1.00 0.00 C ATOM 226 NZ LYS A 14 -13.248 -4.655 10.613 1.00 0.00 N ATOM 0 H LYS A 14 -15.229 -3.148 4.349 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.794 -1.285 6.421 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.095 -3.356 6.692 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.680 -4.328 6.338 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.562 -3.311 8.369 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.081 -2.523 8.748 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.205 -4.734 8.879 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.696 -5.530 8.478 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.138 -3.751 10.909 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.160 -5.503 10.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.022 -4.899 11.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.827 -5.362 9.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.861 -3.716 10.392 1.00 0.00 H new ATOM 240 N ILE A 15 -12.201 -3.161 5.564 1.00 0.00 N ATOM 241 CA ILE A 15 -10.750 -3.291 5.687 1.00 0.00 C ATOM 242 C ILE A 15 -10.056 -1.989 5.299 1.00 0.00 C ATOM 243 O ILE A 15 -9.145 -1.533 5.992 1.00 0.00 O ATOM 244 CB ILE A 15 -10.206 -4.446 4.815 1.00 0.00 C ATOM 245 CG1 ILE A 15 -10.839 -5.776 5.242 1.00 0.00 C ATOM 246 CG2 ILE A 15 -8.685 -4.522 4.915 1.00 0.00 C ATOM 247 CD1 ILE A 15 -10.445 -6.942 4.363 1.00 0.00 C ATOM 0 H ILE A 15 -12.632 -3.847 4.944 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.535 -3.517 6.731 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.472 -4.251 3.776 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -10.550 -5.993 6.270 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.924 -5.673 5.230 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.320 -5.341 4.295 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.250 -3.584 4.570 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.397 -4.696 5.952 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.929 -7.849 4.724 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -10.758 -6.747 3.337 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.363 -7.071 4.394 1.00 0.00 H new ATOM 259 N ILE A 16 -10.504 -1.386 4.203 1.00 0.00 N ATOM 260 CA ILE A 16 -9.969 -0.103 3.768 1.00 0.00 C ATOM 261 C ILE A 16 -10.208 0.959 4.839 1.00 0.00 C ATOM 262 O ILE A 16 -9.334 1.780 5.122 1.00 0.00 O ATOM 263 CB ILE A 16 -10.595 0.354 2.428 1.00 0.00 C ATOM 264 CG1 ILE A 16 -10.304 -0.672 1.329 1.00 0.00 C ATOM 265 CG2 ILE A 16 -10.066 1.728 2.031 1.00 0.00 C ATOM 266 CD1 ILE A 16 -10.949 -0.341 -0.001 1.00 0.00 C ATOM 0 H ILE A 16 -11.235 -1.765 3.601 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.898 -0.230 3.613 1.00 0.00 H new ATOM 0 HB ILE A 16 -11.675 0.428 2.557 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.225 -0.747 1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -10.652 -1.651 1.657 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.517 2.033 1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.319 2.453 2.805 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.983 1.682 1.917 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.698 -1.112 -0.729 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -12.031 -0.295 0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.582 0.623 -0.353 1.00 0.00 H new ATOM 278 N GLN A 17 -11.388 0.918 5.449 1.00 0.00 N ATOM 279 CA GLN A 17 -11.736 1.854 6.510 1.00 0.00 C ATOM 280 C GLN A 17 -10.835 1.646 7.725 1.00 0.00 C ATOM 281 O GLN A 17 -10.302 2.608 8.273 1.00 0.00 O ATOM 282 CB GLN A 17 -13.211 1.695 6.896 1.00 0.00 C ATOM 283 CG GLN A 17 -13.688 2.665 7.968 1.00 0.00 C ATOM 284 CD GLN A 17 -13.428 4.117 7.609 1.00 0.00 C ATOM 285 OE1 GLN A 17 -14.237 4.758 6.940 1.00 0.00 O ATOM 286 NE2 GLN A 17 -12.306 4.651 8.068 1.00 0.00 N ATOM 0 H GLN A 17 -12.121 0.244 5.225 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.583 2.869 6.143 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -13.824 1.828 6.004 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -13.375 0.676 7.246 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -14.756 2.522 8.131 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -13.188 2.433 8.909 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.660 4.086 8.620 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -12.088 5.627 7.870 1.00 0.00 H new ATOM 295 N ASP A 18 -10.653 0.390 8.125 1.00 0.00 N ATOM 296 CA ASP A 18 -9.783 0.059 9.256 1.00 0.00 C ATOM 297 C ASP A 18 -8.368 0.577 9.017 1.00 0.00 C ATOM 298 O ASP A 18 -7.708 1.066 9.935 1.00 0.00 O ATOM 299 CB ASP A 18 -9.749 -1.455 9.507 1.00 0.00 C ATOM 300 CG ASP A 18 -11.016 -1.975 10.166 1.00 0.00 C ATOM 301 OD1 ASP A 18 -11.286 -1.596 11.330 1.00 0.00 O ATOM 302 OD2 ASP A 18 -11.736 -2.779 9.540 1.00 0.00 O ATOM 0 H ASP A 18 -11.095 -0.417 7.684 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.194 0.545 10.141 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -9.600 -1.972 8.559 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.893 -1.694 10.138 1.00 0.00 H new ATOM 307 N LEU A 19 -7.912 0.479 7.774 1.00 0.00 N ATOM 308 CA LEU A 19 -6.606 1.008 7.392 1.00 0.00 C ATOM 309 C LEU A 19 -6.586 2.529 7.530 1.00 0.00 C ATOM 310 O LEU A 19 -5.633 3.102 8.059 1.00 0.00 O ATOM 311 CB LEU A 19 -6.263 0.611 5.951 1.00 0.00 C ATOM 312 CG LEU A 19 -6.149 -0.892 5.694 1.00 0.00 C ATOM 313 CD1 LEU A 19 -5.899 -1.159 4.218 1.00 0.00 C ATOM 314 CD2 LEU A 19 -5.040 -1.495 6.542 1.00 0.00 C ATOM 0 H LEU A 19 -8.427 0.038 7.012 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.858 0.582 8.060 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.026 1.019 5.288 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.319 1.082 5.677 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.090 -1.364 5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.820 -2.233 4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.726 -0.760 3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.971 -0.675 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.973 -2.565 6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.091 -1.020 6.291 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.259 -1.332 7.597 1.00 0.00 H new ATOM 326 N LEU A 20 -7.650 3.175 7.063 1.00 0.00 N ATOM 327 CA LEU A 20 -7.776 4.628 7.158 1.00 0.00 C ATOM 328 C LEU A 20 -7.818 5.069 8.617 1.00 0.00 C ATOM 329 O LEU A 20 -7.260 6.106 8.977 1.00 0.00 O ATOM 330 CB LEU A 20 -9.041 5.106 6.437 1.00 0.00 C ATOM 331 CG LEU A 20 -9.072 4.855 4.927 1.00 0.00 C ATOM 332 CD1 LEU A 20 -10.407 5.291 4.342 1.00 0.00 C ATOM 333 CD2 LEU A 20 -7.928 5.582 4.237 1.00 0.00 C ATOM 0 H LEU A 20 -8.441 2.714 6.613 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.905 5.075 6.679 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.903 4.614 6.888 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.156 6.176 6.613 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.951 3.785 4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.412 5.105 3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.212 4.726 4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.555 6.355 4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.969 5.390 3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.016 6.653 4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.978 5.224 4.634 1.00 0.00 H new ATOM 345 N ASP A 21 -8.477 4.270 9.451 1.00 0.00 N ATOM 346 CA ASP A 21 -8.563 4.549 10.880 1.00 0.00 C ATOM 347 C ASP A 21 -7.175 4.619 11.499 1.00 0.00 C ATOM 348 O ASP A 21 -6.889 5.519 12.284 1.00 0.00 O ATOM 349 CB ASP A 21 -9.404 3.493 11.604 1.00 0.00 C ATOM 350 CG ASP A 21 -10.890 3.780 11.543 1.00 0.00 C ATOM 351 OD1 ASP A 21 -11.356 4.664 12.297 1.00 0.00 O ATOM 352 OD2 ASP A 21 -11.606 3.119 10.767 1.00 0.00 O ATOM 0 H ASP A 21 -8.961 3.421 9.160 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.052 5.516 10.996 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.209 2.516 11.163 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.092 3.440 12.647 1.00 0.00 H new ATOM 357 N VAL A 22 -6.313 3.677 11.129 1.00 0.00 N ATOM 358 CA VAL A 22 -4.939 3.663 11.624 1.00 0.00 C ATOM 359 C VAL A 22 -4.198 4.925 11.192 1.00 0.00 C ATOM 360 O VAL A 22 -3.469 5.528 11.978 1.00 0.00 O ATOM 361 CB VAL A 22 -4.162 2.423 11.127 1.00 0.00 C ATOM 362 CG1 VAL A 22 -2.723 2.447 11.631 1.00 0.00 C ATOM 363 CG2 VAL A 22 -4.860 1.145 11.565 1.00 0.00 C ATOM 0 H VAL A 22 -6.540 2.915 10.490 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.994 3.623 12.712 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.141 2.449 10.038 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.196 1.565 11.269 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.224 3.344 11.264 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.719 2.450 12.721 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.299 0.282 11.206 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.915 1.115 12.653 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.868 1.120 11.150 1.00 0.00 H new ATOM 373 N LEU A 23 -4.411 5.329 9.944 1.00 0.00 N ATOM 374 CA LEU A 23 -3.767 6.521 9.404 1.00 0.00 C ATOM 375 C LEU A 23 -4.161 7.761 10.204 1.00 0.00 C ATOM 376 O LEU A 23 -3.307 8.570 10.569 1.00 0.00 O ATOM 377 CB LEU A 23 -4.136 6.703 7.928 1.00 0.00 C ATOM 378 CG LEU A 23 -3.738 5.545 7.010 1.00 0.00 C ATOM 379 CD1 LEU A 23 -4.188 5.812 5.585 1.00 0.00 C ATOM 380 CD2 LEU A 23 -2.235 5.315 7.056 1.00 0.00 C ATOM 0 H LEU A 23 -5.025 4.848 9.287 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.688 6.391 9.483 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.214 6.850 7.855 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.664 7.615 7.562 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.236 4.643 7.366 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.895 4.977 4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.272 5.924 5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.720 6.727 5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.973 4.488 6.396 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.719 6.217 6.729 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.935 5.075 8.076 1.00 0.00 H new ATOM 392 N VAL A 24 -5.453 7.895 10.487 1.00 0.00 N ATOM 393 CA VAL A 24 -5.951 9.011 11.287 1.00 0.00 C ATOM 394 C VAL A 24 -5.465 8.887 12.732 1.00 0.00 C ATOM 395 O VAL A 24 -5.087 9.876 13.362 1.00 0.00 O ATOM 396 CB VAL A 24 -7.495 9.073 11.267 1.00 0.00 C ATOM 397 CG1 VAL A 24 -8.005 10.254 12.080 1.00 0.00 C ATOM 398 CG2 VAL A 24 -8.008 9.149 9.835 1.00 0.00 C ATOM 0 H VAL A 24 -6.175 7.245 10.175 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.562 9.930 10.849 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.875 8.159 11.724 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.094 10.274 12.049 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.673 10.155 13.114 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.613 11.181 11.661 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.097 9.192 9.840 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -7.612 10.043 9.354 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.682 8.266 9.285 1.00 0.00 H new ATOM 408 N LYS A 25 -5.466 7.655 13.233 1.00 0.00 N ATOM 409 CA LYS A 25 -4.997 7.337 14.580 1.00 0.00 C ATOM 410 C LYS A 25 -3.570 7.830 14.809 1.00 0.00 C ATOM 411 O LYS A 25 -3.221 8.258 15.909 1.00 0.00 O ATOM 412 CB LYS A 25 -5.098 5.816 14.798 1.00 0.00 C ATOM 413 CG LYS A 25 -4.173 5.244 15.864 1.00 0.00 C ATOM 414 CD LYS A 25 -4.450 3.762 16.087 1.00 0.00 C ATOM 415 CE LYS A 25 -3.359 3.085 16.906 1.00 0.00 C ATOM 416 NZ LYS A 25 -2.128 2.833 16.108 1.00 0.00 N ATOM 0 H LYS A 25 -5.795 6.842 12.712 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.627 7.852 15.305 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.126 5.572 15.065 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.887 5.316 13.853 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.135 5.383 15.562 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.309 5.788 16.799 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.407 3.646 16.596 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.539 3.263 15.122 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.111 3.710 17.764 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.735 2.140 17.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.402 2.402 16.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.349 2.188 15.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.771 3.732 15.727 1.00 0.00 H new ATOM 430 N GLU A 26 -2.758 7.791 13.768 1.00 0.00 N ATOM 431 CA GLU A 26 -1.368 8.192 13.880 1.00 0.00 C ATOM 432 C GLU A 26 -1.145 9.622 13.394 1.00 0.00 C ATOM 433 O GLU A 26 -0.070 10.183 13.604 1.00 0.00 O ATOM 434 CB GLU A 26 -0.481 7.232 13.092 1.00 0.00 C ATOM 435 CG GLU A 26 -0.500 5.811 13.632 1.00 0.00 C ATOM 436 CD GLU A 26 -0.011 5.727 15.062 1.00 0.00 C ATOM 437 OE1 GLU A 26 0.969 6.425 15.404 1.00 0.00 O ATOM 438 OE2 GLU A 26 -0.601 4.959 15.852 1.00 0.00 O ATOM 0 H GLU A 26 -3.037 7.486 12.836 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.101 8.156 14.936 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.805 7.222 12.051 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.544 7.603 13.104 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.515 5.418 13.575 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.123 5.178 13.001 1.00 0.00 H new ATOM 445 N GLU A 27 -2.163 10.211 12.765 1.00 0.00 N ATOM 446 CA GLU A 27 -2.031 11.540 12.163 1.00 0.00 C ATOM 447 C GLU A 27 -0.869 11.561 11.180 1.00 0.00 C ATOM 448 O GLU A 27 -0.043 12.478 11.180 1.00 0.00 O ATOM 449 CB GLU A 27 -1.842 12.611 13.243 1.00 0.00 C ATOM 450 CG GLU A 27 -3.140 13.268 13.678 1.00 0.00 C ATOM 451 CD GLU A 27 -3.732 14.136 12.585 1.00 0.00 C ATOM 452 OE1 GLU A 27 -4.501 13.610 11.750 1.00 0.00 O ATOM 453 OE2 GLU A 27 -3.424 15.348 12.551 1.00 0.00 O ATOM 0 H GLU A 27 -3.086 9.791 12.659 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.950 11.764 11.621 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.364 12.159 14.112 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.164 13.378 12.869 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.859 12.499 13.959 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.959 13.875 14.565 1.00 0.00 H new ATOM 460 N VAL A 28 -0.824 10.544 10.331 1.00 0.00 N ATOM 461 CA VAL A 28 0.276 10.378 9.397 1.00 0.00 C ATOM 462 C VAL A 28 0.318 11.496 8.358 1.00 0.00 C ATOM 463 O VAL A 28 -0.638 11.718 7.612 1.00 0.00 O ATOM 464 CB VAL A 28 0.212 9.010 8.679 1.00 0.00 C ATOM 465 CG1 VAL A 28 0.495 7.880 9.652 1.00 0.00 C ATOM 466 CG2 VAL A 28 -1.141 8.802 8.013 1.00 0.00 C ATOM 0 H VAL A 28 -1.540 9.820 10.271 1.00 0.00 H new ATOM 0 HA VAL A 28 1.189 10.423 9.991 1.00 0.00 H new ATOM 0 HB VAL A 28 0.979 9.006 7.904 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.445 6.926 9.127 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.490 8.008 10.078 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.247 7.893 10.451 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.157 7.832 7.516 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.927 8.836 8.767 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.309 9.589 7.278 1.00 0.00 H new ATOM 476 N THR A 29 1.422 12.225 8.349 1.00 0.00 N ATOM 477 CA THR A 29 1.703 13.174 7.286 1.00 0.00 C ATOM 478 C THR A 29 1.935 12.390 5.993 1.00 0.00 C ATOM 479 O THR A 29 2.378 11.243 6.057 1.00 0.00 O ATOM 480 CB THR A 29 2.946 14.038 7.641 1.00 0.00 C ATOM 481 OG1 THR A 29 3.238 14.984 6.603 1.00 0.00 O ATOM 482 CG2 THR A 29 4.164 13.164 7.884 1.00 0.00 C ATOM 0 H THR A 29 2.141 12.177 9.070 1.00 0.00 H new ATOM 0 HA THR A 29 0.860 13.853 7.158 1.00 0.00 H new ATOM 0 HB THR A 29 2.708 14.582 8.555 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.125 14.797 6.230 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.020 13.793 8.130 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.964 12.483 8.711 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.384 12.588 6.985 1.00 0.00 H new ATOM 490 N PRO A 30 1.613 12.968 4.816 1.00 0.00 N ATOM 491 CA PRO A 30 1.790 12.300 3.517 1.00 0.00 C ATOM 492 C PRO A 30 3.097 11.508 3.417 1.00 0.00 C ATOM 493 O PRO A 30 3.106 10.368 2.947 1.00 0.00 O ATOM 494 CB PRO A 30 1.795 13.470 2.537 1.00 0.00 C ATOM 495 CG PRO A 30 0.895 14.481 3.161 1.00 0.00 C ATOM 496 CD PRO A 30 1.027 14.314 4.656 1.00 0.00 C ATOM 0 HA PRO A 30 1.013 11.558 3.332 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.801 13.866 2.397 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.432 13.167 1.555 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.176 15.489 2.858 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.137 14.329 2.844 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.668 15.082 5.088 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.060 14.390 5.153 1.00 0.00 H new ATOM 504 N ASP A 31 4.186 12.117 3.882 1.00 0.00 N ATOM 505 CA ASP A 31 5.504 11.479 3.889 1.00 0.00 C ATOM 506 C ASP A 31 5.454 10.173 4.668 1.00 0.00 C ATOM 507 O ASP A 31 5.781 9.108 4.150 1.00 0.00 O ATOM 508 CB ASP A 31 6.542 12.388 4.558 1.00 0.00 C ATOM 509 CG ASP A 31 6.253 13.860 4.374 1.00 0.00 C ATOM 510 OD1 ASP A 31 5.309 14.368 5.026 1.00 0.00 O ATOM 511 OD2 ASP A 31 6.971 14.522 3.603 1.00 0.00 O ATOM 0 H ASP A 31 4.182 13.063 4.263 1.00 0.00 H new ATOM 0 HA ASP A 31 5.785 11.292 2.853 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.579 12.162 5.624 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.528 12.164 4.150 1.00 0.00 H new ATOM 516 N LEU A 32 5.027 10.283 5.922 1.00 0.00 N ATOM 517 CA LEU A 32 4.973 9.151 6.840 1.00 0.00 C ATOM 518 C LEU A 32 3.999 8.094 6.335 1.00 0.00 C ATOM 519 O LEU A 32 4.295 6.900 6.365 1.00 0.00 O ATOM 520 CB LEU A 32 4.554 9.643 8.230 1.00 0.00 C ATOM 521 CG LEU A 32 4.496 8.582 9.330 1.00 0.00 C ATOM 522 CD1 LEU A 32 5.870 7.981 9.565 1.00 0.00 C ATOM 523 CD2 LEU A 32 3.954 9.191 10.614 1.00 0.00 C ATOM 0 H LEU A 32 4.708 11.161 6.331 1.00 0.00 H new ATOM 0 HA LEU A 32 5.961 8.696 6.901 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.249 10.423 8.542 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.571 10.106 8.148 1.00 0.00 H new ATOM 0 HG LEU A 32 3.826 7.784 9.010 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.808 7.228 10.351 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.226 7.517 8.645 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.563 8.766 9.868 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.917 8.428 11.391 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.606 10.004 10.935 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.951 9.579 10.438 1.00 0.00 H new ATOM 535 N ALA A 33 2.849 8.552 5.856 1.00 0.00 N ATOM 536 CA ALA A 33 1.810 7.665 5.355 1.00 0.00 C ATOM 537 C ALA A 33 2.333 6.794 4.221 1.00 0.00 C ATOM 538 O ALA A 33 2.312 5.567 4.309 1.00 0.00 O ATOM 539 CB ALA A 33 0.612 8.476 4.885 1.00 0.00 C ATOM 0 H ALA A 33 2.612 9.543 5.804 1.00 0.00 H new ATOM 0 HA ALA A 33 1.500 7.010 6.169 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.160 7.802 4.512 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.216 9.056 5.718 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.920 9.152 4.087 1.00 0.00 H new ATOM 545 N LEU A 34 2.827 7.436 3.170 1.00 0.00 N ATOM 546 CA LEU A 34 3.294 6.724 1.988 1.00 0.00 C ATOM 547 C LEU A 34 4.520 5.873 2.305 1.00 0.00 C ATOM 548 O LEU A 34 4.701 4.796 1.734 1.00 0.00 O ATOM 549 CB LEU A 34 3.612 7.711 0.864 1.00 0.00 C ATOM 550 CG LEU A 34 2.417 8.531 0.368 1.00 0.00 C ATOM 551 CD1 LEU A 34 2.864 9.552 -0.667 1.00 0.00 C ATOM 552 CD2 LEU A 34 1.345 7.615 -0.214 1.00 0.00 C ATOM 0 H LEU A 34 2.915 8.451 3.112 1.00 0.00 H new ATOM 0 HA LEU A 34 2.496 6.058 1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.386 8.396 1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.029 7.158 0.022 1.00 0.00 H new ATOM 0 HG LEU A 34 1.990 9.065 1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.002 10.125 -1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.595 10.226 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.316 9.037 -1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.504 8.215 -0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.761 7.054 -1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.003 6.921 0.554 1.00 0.00 H new ATOM 564 N MET A 35 5.350 6.350 3.223 1.00 0.00 N ATOM 565 CA MET A 35 6.543 5.617 3.629 1.00 0.00 C ATOM 566 C MET A 35 6.163 4.301 4.305 1.00 0.00 C ATOM 567 O MET A 35 6.683 3.240 3.953 1.00 0.00 O ATOM 568 CB MET A 35 7.408 6.470 4.561 1.00 0.00 C ATOM 569 CG MET A 35 8.673 5.773 5.033 1.00 0.00 C ATOM 570 SD MET A 35 9.763 6.873 5.957 1.00 0.00 S ATOM 571 CE MET A 35 8.666 7.432 7.256 1.00 0.00 C ATOM 0 H MET A 35 5.220 7.242 3.701 1.00 0.00 H new ATOM 0 HA MET A 35 7.124 5.388 2.735 1.00 0.00 H new ATOM 0 HB2 MET A 35 7.682 7.390 4.046 1.00 0.00 H new ATOM 0 HB3 MET A 35 6.816 6.756 5.430 1.00 0.00 H new ATOM 0 HG2 MET A 35 8.403 4.923 5.660 1.00 0.00 H new ATOM 0 HG3 MET A 35 9.209 5.376 4.171 1.00 0.00 H new ATOM 0 HE1 MET A 35 9.235 7.582 8.173 1.00 0.00 H new ATOM 0 HE2 MET A 35 8.200 8.372 6.960 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.893 6.683 7.427 1.00 0.00 H new ATOM 581 N CYS A 36 5.245 4.366 5.263 1.00 0.00 N ATOM 582 CA CYS A 36 4.789 3.170 5.959 1.00 0.00 C ATOM 583 C CYS A 36 4.007 2.257 5.020 1.00 0.00 C ATOM 584 O CYS A 36 4.215 1.044 5.014 1.00 0.00 O ATOM 585 CB CYS A 36 3.935 3.545 7.168 1.00 0.00 C ATOM 586 SG CYS A 36 4.851 4.406 8.470 1.00 0.00 S ATOM 0 H CYS A 36 4.804 5.231 5.574 1.00 0.00 H new ATOM 0 HA CYS A 36 5.668 2.628 6.308 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.111 4.177 6.837 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.494 2.639 7.585 1.00 0.00 H new ATOM 0 HG CYS A 36 5.289 3.542 9.337 1.00 0.00 H new ATOM 592 N LEU A 37 3.128 2.846 4.215 1.00 0.00 N ATOM 593 CA LEU A 37 2.322 2.083 3.269 1.00 0.00 C ATOM 594 C LEU A 37 3.208 1.355 2.264 1.00 0.00 C ATOM 595 O LEU A 37 3.012 0.170 2.001 1.00 0.00 O ATOM 596 CB LEU A 37 1.334 2.996 2.537 1.00 0.00 C ATOM 597 CG LEU A 37 0.229 3.595 3.410 1.00 0.00 C ATOM 598 CD1 LEU A 37 -0.605 4.583 2.609 1.00 0.00 C ATOM 599 CD2 LEU A 37 -0.649 2.494 3.986 1.00 0.00 C ATOM 0 H LEU A 37 2.956 3.851 4.199 1.00 0.00 H new ATOM 0 HA LEU A 37 1.757 1.341 3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.891 3.811 2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.870 2.429 1.730 1.00 0.00 H new ATOM 0 HG LEU A 37 0.694 4.131 4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.386 4.999 3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.034 5.388 2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.061 4.071 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.430 2.937 4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.106 1.930 3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.041 1.824 4.594 1.00 0.00 H new ATOM 611 N GLY A 38 4.193 2.066 1.723 1.00 0.00 N ATOM 612 CA GLY A 38 5.106 1.470 0.766 1.00 0.00 C ATOM 613 C GLY A 38 5.840 0.268 1.326 1.00 0.00 C ATOM 614 O GLY A 38 5.927 -0.772 0.672 1.00 0.00 O ATOM 0 H GLY A 38 4.375 3.048 1.932 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.550 1.169 -0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.832 2.218 0.449 1.00 0.00 H new ATOM 618 N ASN A 39 6.356 0.402 2.543 1.00 0.00 N ATOM 619 CA ASN A 39 7.085 -0.689 3.186 1.00 0.00 C ATOM 620 C ASN A 39 6.150 -1.838 3.535 1.00 0.00 C ATOM 621 O ASN A 39 6.518 -3.007 3.408 1.00 0.00 O ATOM 622 CB ASN A 39 7.813 -0.203 4.444 1.00 0.00 C ATOM 623 CG ASN A 39 9.108 0.526 4.127 1.00 0.00 C ATOM 624 OD1 ASN A 39 10.167 -0.092 4.006 1.00 0.00 O ATOM 625 ND2 ASN A 39 9.040 1.841 4.000 1.00 0.00 N ATOM 0 H ASN A 39 6.284 1.251 3.103 1.00 0.00 H new ATOM 0 HA ASN A 39 7.829 -1.049 2.475 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.156 0.460 5.006 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.029 -1.057 5.086 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.883 2.378 3.795 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.145 2.318 4.107 1.00 0.00 H new ATOM 632 N ALA A 40 4.935 -1.503 3.959 1.00 0.00 N ATOM 633 CA ALA A 40 3.934 -2.511 4.281 1.00 0.00 C ATOM 634 C ALA A 40 3.620 -3.364 3.057 1.00 0.00 C ATOM 635 O ALA A 40 3.647 -4.593 3.122 1.00 0.00 O ATOM 636 CB ALA A 40 2.670 -1.852 4.812 1.00 0.00 C ATOM 0 H ALA A 40 4.621 -0.541 4.087 1.00 0.00 H new ATOM 0 HA ALA A 40 4.336 -3.162 5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.932 -2.618 5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.906 -1.286 5.713 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.265 -1.179 4.056 1.00 0.00 H new ATOM 642 N VAL A 41 3.342 -2.702 1.937 1.00 0.00 N ATOM 643 CA VAL A 41 3.057 -3.396 0.689 1.00 0.00 C ATOM 644 C VAL A 41 4.258 -4.227 0.247 1.00 0.00 C ATOM 645 O VAL A 41 4.106 -5.363 -0.203 1.00 0.00 O ATOM 646 CB VAL A 41 2.674 -2.413 -0.438 1.00 0.00 C ATOM 647 CG1 VAL A 41 2.402 -3.161 -1.733 1.00 0.00 C ATOM 648 CG2 VAL A 41 1.462 -1.584 -0.046 1.00 0.00 C ATOM 0 H VAL A 41 3.309 -1.685 1.870 1.00 0.00 H new ATOM 0 HA VAL A 41 2.208 -4.053 0.877 1.00 0.00 H new ATOM 0 HB VAL A 41 3.516 -1.739 -0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.134 -2.450 -2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.296 -3.708 -2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.581 -3.862 -1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.212 -0.899 -0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.616 -2.244 0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.688 -1.013 0.855 1.00 0.00 H new ATOM 658 N THR A 42 5.451 -3.657 0.393 1.00 0.00 N ATOM 659 CA THR A 42 6.681 -4.355 0.046 1.00 0.00 C ATOM 660 C THR A 42 6.792 -5.676 0.810 1.00 0.00 C ATOM 661 O THR A 42 7.112 -6.710 0.228 1.00 0.00 O ATOM 662 CB THR A 42 7.922 -3.481 0.336 1.00 0.00 C ATOM 663 OG1 THR A 42 7.876 -2.284 -0.453 1.00 0.00 O ATOM 664 CG2 THR A 42 9.208 -4.238 0.038 1.00 0.00 C ATOM 0 H THR A 42 5.590 -2.712 0.750 1.00 0.00 H new ATOM 0 HA THR A 42 6.645 -4.565 -1.023 1.00 0.00 H new ATOM 0 HB THR A 42 7.911 -3.222 1.395 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.123 -1.729 -0.161 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.064 -3.598 0.251 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.258 -5.131 0.662 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.224 -4.528 -1.013 1.00 0.00 H new ATOM 672 N ASN A 43 6.494 -5.640 2.106 1.00 0.00 N ATOM 673 CA ASN A 43 6.565 -6.837 2.940 1.00 0.00 C ATOM 674 C ASN A 43 5.515 -7.857 2.505 1.00 0.00 C ATOM 675 O ASN A 43 5.763 -9.058 2.518 1.00 0.00 O ATOM 676 CB ASN A 43 6.367 -6.487 4.422 1.00 0.00 C ATOM 677 CG ASN A 43 6.573 -7.687 5.337 1.00 0.00 C ATOM 678 OD1 ASN A 43 7.375 -8.575 5.047 1.00 0.00 O ATOM 679 ND2 ASN A 43 5.851 -7.720 6.447 1.00 0.00 N ATOM 0 H ASN A 43 6.202 -4.797 2.601 1.00 0.00 H new ATOM 0 HA ASN A 43 7.557 -7.272 2.815 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.064 -5.697 4.702 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.362 -6.091 4.567 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.949 -8.500 7.096 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.197 -6.965 6.652 1.00 0.00 H new ATOM 686 N ILE A 44 4.344 -7.367 2.110 1.00 0.00 N ATOM 687 CA ILE A 44 3.266 -8.235 1.650 1.00 0.00 C ATOM 688 C ILE A 44 3.672 -8.984 0.381 1.00 0.00 C ATOM 689 O ILE A 44 3.541 -10.206 0.300 1.00 0.00 O ATOM 690 CB ILE A 44 1.969 -7.433 1.381 1.00 0.00 C ATOM 691 CG1 ILE A 44 1.444 -6.808 2.677 1.00 0.00 C ATOM 692 CG2 ILE A 44 0.901 -8.321 0.750 1.00 0.00 C ATOM 693 CD1 ILE A 44 1.091 -7.820 3.746 1.00 0.00 C ATOM 0 H ILE A 44 4.118 -6.373 2.099 1.00 0.00 H new ATOM 0 HA ILE A 44 3.073 -8.955 2.445 1.00 0.00 H new ATOM 0 HB ILE A 44 2.206 -6.633 0.680 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.197 -6.125 3.071 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.561 -6.211 2.449 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.000 -7.735 0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.270 -8.718 -0.196 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.669 -9.146 1.424 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.727 -7.301 4.633 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.315 -8.488 3.373 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.977 -8.401 4.004 1.00 0.00 H new ATOM 705 N ILE A 45 4.187 -8.249 -0.598 1.00 0.00 N ATOM 706 CA ILE A 45 4.577 -8.840 -1.873 1.00 0.00 C ATOM 707 C ILE A 45 5.863 -9.659 -1.726 1.00 0.00 C ATOM 708 O ILE A 45 6.140 -10.558 -2.523 1.00 0.00 O ATOM 709 CB ILE A 45 4.765 -7.761 -2.963 1.00 0.00 C ATOM 710 CG1 ILE A 45 3.517 -6.878 -3.063 1.00 0.00 C ATOM 711 CG2 ILE A 45 5.047 -8.408 -4.311 1.00 0.00 C ATOM 712 CD1 ILE A 45 3.659 -5.727 -4.037 1.00 0.00 C ATOM 0 H ILE A 45 4.344 -7.243 -0.533 1.00 0.00 H new ATOM 0 HA ILE A 45 3.769 -9.503 -2.182 1.00 0.00 H new ATOM 0 HB ILE A 45 5.617 -7.140 -2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.670 -7.495 -3.365 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.285 -6.479 -2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.177 -7.633 -5.067 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.956 -9.006 -4.245 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.211 -9.049 -4.589 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.736 -5.148 -4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.484 -5.086 -3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.860 -6.117 -5.035 1.00 0.00 H new ATOM 724 N ALA A 46 6.634 -9.364 -0.686 1.00 0.00 N ATOM 725 CA ALA A 46 7.860 -10.110 -0.406 1.00 0.00 C ATOM 726 C ALA A 46 7.539 -11.520 0.079 1.00 0.00 C ATOM 727 O ALA A 46 8.388 -12.410 0.046 1.00 0.00 O ATOM 728 CB ALA A 46 8.710 -9.378 0.620 1.00 0.00 C ATOM 0 H ALA A 46 6.435 -8.615 -0.022 1.00 0.00 H new ATOM 0 HA ALA A 46 8.427 -10.188 -1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.618 -9.949 0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.976 -8.393 0.236 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.146 -9.266 1.546 1.00 0.00 H new ATOM 734 N GLN A 47 6.305 -11.715 0.526 1.00 0.00 N ATOM 735 CA GLN A 47 5.849 -13.025 0.968 1.00 0.00 C ATOM 736 C GLN A 47 5.403 -13.851 -0.232 1.00 0.00 C ATOM 737 O GLN A 47 5.119 -15.045 -0.121 1.00 0.00 O ATOM 738 CB GLN A 47 4.698 -12.881 1.964 1.00 0.00 C ATOM 739 CG GLN A 47 5.035 -11.997 3.149 1.00 0.00 C ATOM 740 CD GLN A 47 3.878 -11.835 4.110 1.00 0.00 C ATOM 741 OE1 GLN A 47 3.064 -12.740 4.287 1.00 0.00 O ATOM 742 NE2 GLN A 47 3.790 -10.668 4.726 1.00 0.00 N ATOM 0 H GLN A 47 5.601 -10.980 0.592 1.00 0.00 H new ATOM 0 HA GLN A 47 6.675 -13.535 1.464 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.830 -12.470 1.448 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.415 -13.869 2.326 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.886 -12.421 3.681 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.341 -11.015 2.788 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.487 -9.945 4.550 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.025 -10.491 5.377 1.00 0.00 H new ATOM 751 N VAL A 48 5.339 -13.195 -1.382 1.00 0.00 N ATOM 752 CA VAL A 48 4.982 -13.850 -2.624 1.00 0.00 C ATOM 753 C VAL A 48 6.246 -14.333 -3.328 1.00 0.00 C ATOM 754 O VAL A 48 7.189 -13.559 -3.510 1.00 0.00 O ATOM 755 CB VAL A 48 4.199 -12.896 -3.558 1.00 0.00 C ATOM 756 CG1 VAL A 48 3.769 -13.606 -4.832 1.00 0.00 C ATOM 757 CG2 VAL A 48 2.994 -12.313 -2.837 1.00 0.00 C ATOM 0 H VAL A 48 5.533 -12.198 -1.476 1.00 0.00 H new ATOM 0 HA VAL A 48 4.339 -14.699 -2.389 1.00 0.00 H new ATOM 0 HB VAL A 48 4.864 -12.079 -3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.221 -12.911 -5.469 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.650 -13.967 -5.363 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.127 -14.450 -4.579 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.456 -11.645 -3.509 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.333 -13.120 -2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.328 -11.755 -1.962 1.00 0.00 H new ATOM 767 N PRO A 49 6.295 -15.625 -3.703 1.00 0.00 N ATOM 768 CA PRO A 49 7.445 -16.208 -4.405 1.00 0.00 C ATOM 769 C PRO A 49 7.843 -15.396 -5.634 1.00 0.00 C ATOM 770 O PRO A 49 6.985 -14.971 -6.408 1.00 0.00 O ATOM 771 CB PRO A 49 6.945 -17.595 -4.815 1.00 0.00 C ATOM 772 CG PRO A 49 5.887 -17.923 -3.822 1.00 0.00 C ATOM 773 CD PRO A 49 5.233 -16.617 -3.464 1.00 0.00 C ATOM 0 HA PRO A 49 8.337 -16.232 -3.780 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.547 -17.589 -5.830 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.750 -18.329 -4.793 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.162 -18.620 -4.241 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.314 -18.400 -2.940 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.357 -16.424 -4.083 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.899 -16.606 -2.426 1.00 0.00 H new ATOM 781 N GLU A 50 9.147 -15.199 -5.809 1.00 0.00 N ATOM 782 CA GLU A 50 9.688 -14.370 -6.888 1.00 0.00 C ATOM 783 C GLU A 50 9.241 -14.851 -8.272 1.00 0.00 C ATOM 784 O GLU A 50 9.234 -14.079 -9.229 1.00 0.00 O ATOM 785 CB GLU A 50 11.212 -14.340 -6.781 1.00 0.00 C ATOM 786 CG GLU A 50 11.694 -13.518 -5.598 1.00 0.00 C ATOM 787 CD GLU A 50 13.091 -13.874 -5.139 1.00 0.00 C ATOM 788 OE1 GLU A 50 13.990 -14.022 -5.995 1.00 0.00 O ATOM 789 OE2 GLU A 50 13.298 -13.981 -3.913 1.00 0.00 O ATOM 0 H GLU A 50 9.861 -15.609 -5.207 1.00 0.00 H new ATOM 0 HA GLU A 50 9.294 -13.360 -6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.587 -15.359 -6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.630 -13.929 -7.700 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.667 -12.462 -5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.002 -13.654 -4.767 1.00 0.00 H new ATOM 796 N SER A 51 8.852 -16.117 -8.362 1.00 0.00 N ATOM 797 CA SER A 51 8.307 -16.680 -9.592 1.00 0.00 C ATOM 798 C SER A 51 7.039 -15.934 -10.028 1.00 0.00 C ATOM 799 O SER A 51 6.792 -15.754 -11.220 1.00 0.00 O ATOM 800 CB SER A 51 8.003 -18.170 -9.380 1.00 0.00 C ATOM 801 OG SER A 51 7.562 -18.802 -10.574 1.00 0.00 O ATOM 0 H SER A 51 8.905 -16.780 -7.589 1.00 0.00 H new ATOM 0 HA SER A 51 9.047 -16.568 -10.385 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.898 -18.673 -9.013 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.239 -18.277 -8.610 1.00 0.00 H new ATOM 0 HG SER A 51 7.381 -19.748 -10.396 1.00 0.00 H new ATOM 807 N LYS A 52 6.250 -15.484 -9.061 1.00 0.00 N ATOM 808 CA LYS A 52 4.989 -14.812 -9.353 1.00 0.00 C ATOM 809 C LYS A 52 4.934 -13.445 -8.677 1.00 0.00 C ATOM 810 O LYS A 52 3.873 -12.831 -8.570 1.00 0.00 O ATOM 811 CB LYS A 52 3.816 -15.688 -8.897 1.00 0.00 C ATOM 812 CG LYS A 52 3.884 -16.093 -7.430 1.00 0.00 C ATOM 813 CD LYS A 52 2.793 -17.089 -7.069 1.00 0.00 C ATOM 814 CE LYS A 52 1.404 -16.496 -7.248 1.00 0.00 C ATOM 815 NZ LYS A 52 0.333 -17.474 -6.920 1.00 0.00 N ATOM 0 H LYS A 52 6.460 -15.572 -8.067 1.00 0.00 H new ATOM 0 HA LYS A 52 4.916 -14.656 -10.429 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.884 -15.151 -9.073 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.786 -16.588 -9.512 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.860 -16.530 -7.218 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.789 -15.206 -6.803 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.892 -17.978 -7.692 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.921 -17.409 -6.035 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.300 -15.618 -6.611 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.284 -16.159 -8.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.597 -17.029 -7.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.415 -18.301 -7.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.431 -17.777 -5.930 1.00 0.00 H new ATOM 829 N ARG A 53 6.096 -12.966 -8.248 1.00 0.00 N ATOM 830 CA ARG A 53 6.187 -11.699 -7.530 1.00 0.00 C ATOM 831 C ARG A 53 6.149 -10.522 -8.497 1.00 0.00 C ATOM 832 O ARG A 53 5.557 -9.484 -8.204 1.00 0.00 O ATOM 833 CB ARG A 53 7.472 -11.651 -6.699 1.00 0.00 C ATOM 834 CG ARG A 53 7.637 -10.371 -5.902 1.00 0.00 C ATOM 835 CD ARG A 53 8.924 -10.374 -5.095 1.00 0.00 C ATOM 836 NE ARG A 53 8.937 -11.428 -4.087 1.00 0.00 N ATOM 837 CZ ARG A 53 9.972 -11.684 -3.290 1.00 0.00 C ATOM 838 NH1 ARG A 53 11.073 -10.939 -3.354 1.00 0.00 N ATOM 839 NH2 ARG A 53 9.899 -12.678 -2.417 1.00 0.00 N ATOM 0 H ARG A 53 6.990 -13.437 -8.385 1.00 0.00 H new ATOM 0 HA ARG A 53 5.328 -11.625 -6.863 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.483 -12.499 -6.014 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.328 -11.767 -7.364 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.634 -9.517 -6.580 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.787 -10.248 -5.231 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.772 -10.505 -5.767 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.049 -9.406 -4.609 1.00 0.00 H new ATOM 0 HE ARG A 53 8.102 -12.004 -3.987 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.128 -10.166 -4.017 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.862 -11.141 -2.740 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.052 -13.243 -2.358 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.690 -12.878 -1.804 1.00 0.00 H new ATOM 853 N VAL A 54 6.768 -10.697 -9.656 1.00 0.00 N ATOM 854 CA VAL A 54 6.848 -9.632 -10.645 1.00 0.00 C ATOM 855 C VAL A 54 5.461 -9.305 -11.181 1.00 0.00 C ATOM 856 O VAL A 54 5.116 -8.140 -11.379 1.00 0.00 O ATOM 857 CB VAL A 54 7.780 -10.015 -11.816 1.00 0.00 C ATOM 858 CG1 VAL A 54 7.921 -8.860 -12.797 1.00 0.00 C ATOM 859 CG2 VAL A 54 9.144 -10.447 -11.295 1.00 0.00 C ATOM 0 H VAL A 54 7.222 -11.567 -9.934 1.00 0.00 H new ATOM 0 HA VAL A 54 7.264 -8.754 -10.151 1.00 0.00 H new ATOM 0 HB VAL A 54 7.332 -10.856 -12.346 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.582 -9.154 -13.612 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.941 -8.602 -13.199 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.341 -7.995 -12.283 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.787 -10.713 -12.134 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.597 -9.627 -10.737 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.027 -11.310 -10.640 1.00 0.00 H new ATOM 869 N ALA A 55 4.660 -10.344 -11.386 1.00 0.00 N ATOM 870 CA ALA A 55 3.303 -10.178 -11.886 1.00 0.00 C ATOM 871 C ALA A 55 2.455 -9.338 -10.932 1.00 0.00 C ATOM 872 O ALA A 55 1.811 -8.371 -11.346 1.00 0.00 O ATOM 873 CB ALA A 55 2.652 -11.536 -12.114 1.00 0.00 C ATOM 0 H ALA A 55 4.929 -11.313 -11.213 1.00 0.00 H new ATOM 0 HA ALA A 55 3.361 -9.648 -12.837 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.638 -11.395 -12.488 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.233 -12.100 -12.844 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.619 -12.086 -11.174 1.00 0.00 H new ATOM 879 N VAL A 56 2.473 -9.692 -9.652 1.00 0.00 N ATOM 880 CA VAL A 56 1.625 -9.028 -8.670 1.00 0.00 C ATOM 881 C VAL A 56 2.089 -7.600 -8.373 1.00 0.00 C ATOM 882 O VAL A 56 1.265 -6.690 -8.275 1.00 0.00 O ATOM 883 CB VAL A 56 1.512 -9.834 -7.353 1.00 0.00 C ATOM 884 CG1 VAL A 56 0.767 -11.137 -7.590 1.00 0.00 C ATOM 885 CG2 VAL A 56 2.879 -10.111 -6.745 1.00 0.00 C ATOM 0 H VAL A 56 3.063 -10.432 -9.271 1.00 0.00 H new ATOM 0 HA VAL A 56 0.635 -8.975 -9.122 1.00 0.00 H new ATOM 0 HB VAL A 56 0.950 -9.227 -6.643 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.697 -11.691 -6.654 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.235 -10.921 -7.960 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.305 -11.735 -8.326 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.759 -10.678 -5.822 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.480 -10.686 -7.449 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.379 -9.167 -6.528 1.00 0.00 H new ATOM 895 N VAL A 57 3.398 -7.387 -8.256 1.00 0.00 N ATOM 896 CA VAL A 57 3.913 -6.055 -7.939 1.00 0.00 C ATOM 897 C VAL A 57 3.697 -5.083 -9.106 1.00 0.00 C ATOM 898 O VAL A 57 3.456 -3.890 -8.898 1.00 0.00 O ATOM 899 CB VAL A 57 5.411 -6.087 -7.541 1.00 0.00 C ATOM 900 CG1 VAL A 57 6.300 -6.474 -8.714 1.00 0.00 C ATOM 901 CG2 VAL A 57 5.843 -4.748 -6.961 1.00 0.00 C ATOM 0 H VAL A 57 4.112 -8.106 -8.373 1.00 0.00 H new ATOM 0 HA VAL A 57 3.347 -5.699 -7.078 1.00 0.00 H new ATOM 0 HB VAL A 57 5.527 -6.853 -6.775 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.342 -6.485 -8.393 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.020 -7.465 -9.071 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.176 -5.750 -9.519 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.897 -4.793 -6.688 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.693 -3.964 -7.704 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.248 -4.526 -6.075 1.00 0.00 H new ATOM 911 N ASP A 58 3.757 -5.599 -10.331 1.00 0.00 N ATOM 912 CA ASP A 58 3.575 -4.768 -11.518 1.00 0.00 C ATOM 913 C ASP A 58 2.107 -4.423 -11.706 1.00 0.00 C ATOM 914 O ASP A 58 1.769 -3.322 -12.130 1.00 0.00 O ATOM 915 CB ASP A 58 4.096 -5.484 -12.762 1.00 0.00 C ATOM 916 CG ASP A 58 4.143 -4.587 -13.983 1.00 0.00 C ATOM 917 OD1 ASP A 58 5.115 -3.815 -14.124 1.00 0.00 O ATOM 918 OD2 ASP A 58 3.217 -4.661 -14.819 1.00 0.00 O ATOM 0 H ASP A 58 3.930 -6.585 -10.527 1.00 0.00 H new ATOM 0 HA ASP A 58 4.142 -3.848 -11.376 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.096 -5.869 -12.561 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.460 -6.344 -12.973 1.00 0.00 H new ATOM 923 N ASN A 59 1.228 -5.363 -11.386 1.00 0.00 N ATOM 924 CA ASN A 59 -0.207 -5.114 -11.486 1.00 0.00 C ATOM 925 C ASN A 59 -0.669 -4.170 -10.385 1.00 0.00 C ATOM 926 O ASN A 59 -1.546 -3.336 -10.605 1.00 0.00 O ATOM 927 CB ASN A 59 -1.009 -6.419 -11.444 1.00 0.00 C ATOM 928 CG ASN A 59 -0.923 -7.189 -12.748 1.00 0.00 C ATOM 929 OD1 ASN A 59 -0.718 -6.603 -13.814 1.00 0.00 O ATOM 930 ND2 ASN A 59 -1.099 -8.503 -12.679 1.00 0.00 N ATOM 0 H ASN A 59 1.478 -6.296 -11.058 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.391 -4.641 -12.451 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.640 -7.044 -10.631 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.053 -6.195 -11.225 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.067 -9.067 -13.528 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.266 -8.948 -11.777 1.00 0.00 H new ATOM 937 N PHE A 60 -0.064 -4.301 -9.210 1.00 0.00 N ATOM 938 CA PHE A 60 -0.342 -3.400 -8.096 1.00 0.00 C ATOM 939 C PHE A 60 -0.037 -1.966 -8.494 1.00 0.00 C ATOM 940 O PHE A 60 -0.886 -1.079 -8.398 1.00 0.00 O ATOM 941 CB PHE A 60 0.514 -3.773 -6.885 1.00 0.00 C ATOM 942 CG PHE A 60 0.278 -2.902 -5.687 1.00 0.00 C ATOM 943 CD1 PHE A 60 -0.924 -2.951 -4.999 1.00 0.00 C ATOM 944 CD2 PHE A 60 1.259 -2.029 -5.252 1.00 0.00 C ATOM 945 CE1 PHE A 60 -1.138 -2.145 -3.897 1.00 0.00 C ATOM 946 CE2 PHE A 60 1.050 -1.222 -4.154 1.00 0.00 C ATOM 947 CZ PHE A 60 -0.149 -1.278 -3.475 1.00 0.00 C ATOM 0 H PHE A 60 0.624 -5.025 -9.003 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.397 -3.492 -7.837 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.313 -4.810 -6.615 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.566 -3.715 -7.164 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.701 -3.626 -5.327 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.200 -1.979 -5.779 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.077 -2.193 -3.366 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.825 -0.546 -3.826 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.314 -0.645 -2.615 1.00 0.00 H new ATOM 957 N THR A 61 1.182 -1.757 -8.955 1.00 0.00 N ATOM 958 CA THR A 61 1.647 -0.435 -9.318 1.00 0.00 C ATOM 959 C THR A 61 0.921 0.092 -10.554 1.00 0.00 C ATOM 960 O THR A 61 0.608 1.284 -10.640 1.00 0.00 O ATOM 961 CB THR A 61 3.164 -0.451 -9.543 1.00 0.00 C ATOM 962 OG1 THR A 61 3.526 -1.568 -10.363 1.00 0.00 O ATOM 963 CG2 THR A 61 3.893 -0.526 -8.208 1.00 0.00 C ATOM 0 H THR A 61 1.873 -2.496 -9.087 1.00 0.00 H new ATOM 0 HA THR A 61 1.422 0.241 -8.493 1.00 0.00 H new ATOM 0 HB THR A 61 3.454 0.470 -10.050 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.639 -2.363 -9.801 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.969 -0.537 -8.381 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.632 0.341 -7.602 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.601 -1.436 -7.684 1.00 0.00 H new ATOM 971 N LYS A 62 0.645 -0.801 -11.502 1.00 0.00 N ATOM 972 CA LYS A 62 -0.157 -0.456 -12.671 1.00 0.00 C ATOM 973 C LYS A 62 -1.517 0.098 -12.249 1.00 0.00 C ATOM 974 O LYS A 62 -1.957 1.143 -12.740 1.00 0.00 O ATOM 975 CB LYS A 62 -0.351 -1.688 -13.553 1.00 0.00 C ATOM 976 CG LYS A 62 -1.029 -1.402 -14.882 1.00 0.00 C ATOM 977 CD LYS A 62 -1.236 -2.673 -15.705 1.00 0.00 C ATOM 978 CE LYS A 62 0.082 -3.340 -16.090 1.00 0.00 C ATOM 979 NZ LYS A 62 0.683 -4.114 -14.967 1.00 0.00 N ATOM 0 H LYS A 62 0.966 -1.769 -11.482 1.00 0.00 H new ATOM 0 HA LYS A 62 0.371 0.312 -13.236 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.622 -2.141 -13.744 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.943 -2.423 -13.007 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.993 -0.926 -14.702 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.426 -0.695 -15.452 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.843 -3.377 -15.135 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.794 -2.430 -16.609 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.086 -4.006 -16.936 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.788 -2.578 -16.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.661 -3.796 -14.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.126 -3.961 -14.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.682 -5.127 -15.204 1.00 0.00 H new ATOM 993 N ALA A 63 -2.168 -0.603 -11.326 1.00 0.00 N ATOM 994 CA ALA A 63 -3.483 -0.204 -10.840 1.00 0.00 C ATOM 995 C ALA A 63 -3.406 1.083 -10.026 1.00 0.00 C ATOM 996 O ALA A 63 -4.310 1.916 -10.091 1.00 0.00 O ATOM 997 CB ALA A 63 -4.100 -1.320 -10.011 1.00 0.00 C ATOM 0 H ALA A 63 -1.803 -1.454 -10.898 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.118 -0.014 -11.705 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.082 -1.008 -9.655 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.204 -2.214 -10.625 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.457 -1.538 -9.158 1.00 0.00 H new ATOM 1003 N LEU A 64 -2.329 1.236 -9.261 1.00 0.00 N ATOM 1004 CA LEU A 64 -2.105 2.445 -8.471 1.00 0.00 C ATOM 1005 C LEU A 64 -2.133 3.690 -9.343 1.00 0.00 C ATOM 1006 O LEU A 64 -2.964 4.572 -9.144 1.00 0.00 O ATOM 1007 CB LEU A 64 -0.764 2.373 -7.739 1.00 0.00 C ATOM 1008 CG LEU A 64 -0.823 1.847 -6.307 1.00 0.00 C ATOM 1009 CD1 LEU A 64 0.578 1.695 -5.747 1.00 0.00 C ATOM 1010 CD2 LEU A 64 -1.642 2.784 -5.432 1.00 0.00 C ATOM 0 H LEU A 64 -1.594 0.535 -9.171 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.913 2.508 -7.742 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.090 1.737 -8.313 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.325 3.370 -7.723 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.305 0.869 -6.314 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.523 1.319 -4.725 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.141 0.993 -6.362 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.078 2.663 -5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.675 2.395 -4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.183 3.773 -5.428 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.656 2.856 -5.826 1.00 0.00 H new ATOM 1022 N LYS A 65 -1.234 3.746 -10.319 1.00 0.00 N ATOM 1023 CA LYS A 65 -1.111 4.922 -11.175 1.00 0.00 C ATOM 1024 C LYS A 65 -2.406 5.180 -11.939 1.00 0.00 C ATOM 1025 O LYS A 65 -2.793 6.329 -12.146 1.00 0.00 O ATOM 1026 CB LYS A 65 0.070 4.765 -12.137 1.00 0.00 C ATOM 1027 CG LYS A 65 1.413 4.690 -11.422 1.00 0.00 C ATOM 1028 CD LYS A 65 2.582 4.615 -12.393 1.00 0.00 C ATOM 1029 CE LYS A 65 2.573 3.322 -13.192 1.00 0.00 C ATOM 1030 NZ LYS A 65 3.757 3.214 -14.083 1.00 0.00 N ATOM 0 H LYS A 65 -0.581 2.994 -10.538 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.921 5.787 -10.540 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.070 3.862 -12.731 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.080 5.605 -12.831 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.531 5.565 -10.782 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.427 3.815 -10.772 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.542 5.464 -13.076 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.518 4.694 -11.841 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.554 2.473 -12.509 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.663 3.271 -13.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.714 2.319 -14.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.762 4.010 -14.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.625 3.237 -13.511 1.00 0.00 H new ATOM 1044 N GLN A 66 -3.086 4.108 -12.324 1.00 0.00 N ATOM 1045 CA GLN A 66 -4.366 4.219 -13.012 1.00 0.00 C ATOM 1046 C GLN A 66 -5.410 4.874 -12.110 1.00 0.00 C ATOM 1047 O GLN A 66 -6.091 5.821 -12.508 1.00 0.00 O ATOM 1048 CB GLN A 66 -4.852 2.834 -13.443 1.00 0.00 C ATOM 1049 CG GLN A 66 -6.224 2.843 -14.095 1.00 0.00 C ATOM 1050 CD GLN A 66 -6.717 1.450 -14.430 1.00 0.00 C ATOM 1051 OE1 GLN A 66 -7.367 0.794 -13.617 1.00 0.00 O ATOM 1052 NE2 GLN A 66 -6.407 0.985 -15.627 1.00 0.00 N ATOM 0 H GLN A 66 -2.772 3.150 -12.171 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.227 4.844 -13.894 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.131 2.407 -14.140 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.878 2.180 -12.571 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.937 3.326 -13.427 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.186 3.440 -15.006 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.866 1.560 -16.273 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.708 0.051 -15.905 1.00 0.00 H new ATOM 1061 N SER A 67 -5.505 4.379 -10.882 1.00 0.00 N ATOM 1062 CA SER A 67 -6.515 4.842 -9.942 1.00 0.00 C ATOM 1063 C SER A 67 -6.176 6.227 -9.392 1.00 0.00 C ATOM 1064 O SER A 67 -6.991 6.846 -8.714 1.00 0.00 O ATOM 1065 CB SER A 67 -6.654 3.839 -8.797 1.00 0.00 C ATOM 1066 OG SER A 67 -6.897 2.532 -9.298 1.00 0.00 O ATOM 0 H SER A 67 -4.891 3.653 -10.514 1.00 0.00 H new ATOM 0 HA SER A 67 -7.463 4.920 -10.474 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.745 3.839 -8.195 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.471 4.140 -8.141 1.00 0.00 H new ATOM 0 HG SER A 67 -6.060 2.149 -9.634 1.00 0.00 H new ATOM 1072 N VAL A 68 -4.966 6.697 -9.670 1.00 0.00 N ATOM 1073 CA VAL A 68 -4.559 8.041 -9.274 1.00 0.00 C ATOM 1074 C VAL A 68 -4.867 9.038 -10.387 1.00 0.00 C ATOM 1075 O VAL A 68 -5.444 10.101 -10.138 1.00 0.00 O ATOM 1076 CB VAL A 68 -3.056 8.107 -8.918 1.00 0.00 C ATOM 1077 CG1 VAL A 68 -2.610 9.542 -8.683 1.00 0.00 C ATOM 1078 CG2 VAL A 68 -2.763 7.263 -7.688 1.00 0.00 C ATOM 0 H VAL A 68 -4.250 6.168 -10.168 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.128 8.302 -8.382 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.495 7.709 -9.764 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.549 9.557 -8.434 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.780 10.128 -9.586 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.182 9.970 -7.860 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.701 7.321 -7.452 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.343 7.636 -6.844 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.035 6.226 -7.885 1.00 0.00 H new ATOM 1088 N LEU A 69 -4.502 8.683 -11.615 1.00 0.00 N ATOM 1089 CA LEU A 69 -4.748 9.551 -12.763 1.00 0.00 C ATOM 1090 C LEU A 69 -6.246 9.754 -12.968 1.00 0.00 C ATOM 1091 O LEU A 69 -6.699 10.850 -13.300 1.00 0.00 O ATOM 1092 CB LEU A 69 -4.118 8.962 -14.028 1.00 0.00 C ATOM 1093 CG LEU A 69 -2.597 8.796 -13.979 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -2.083 8.200 -15.279 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -1.918 10.126 -13.699 1.00 0.00 C ATOM 0 H LEU A 69 -4.037 7.804 -11.841 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.288 10.519 -12.564 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.568 7.988 -14.220 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.371 9.602 -14.873 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.356 8.112 -13.166 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.000 8.089 -15.225 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.540 7.223 -15.437 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.340 8.859 -16.108 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.838 9.984 -13.669 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.169 10.836 -14.488 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.260 10.514 -12.740 1.00 0.00 H new ATOM 1354 N SER B 8 9.960 9.089 14.227 1.00 0.00 N ATOM 1355 CA SER B 8 11.173 8.301 14.082 1.00 0.00 C ATOM 1356 C SER B 8 10.837 6.877 13.653 1.00 0.00 C ATOM 1357 O SER B 8 9.662 6.519 13.546 1.00 0.00 O ATOM 1358 CB SER B 8 11.955 8.296 15.399 1.00 0.00 C ATOM 1359 OG SER B 8 13.176 7.588 15.273 1.00 0.00 O ATOM 0 HA SER B 8 11.794 8.752 13.308 1.00 0.00 H new ATOM 0 HB2 SER B 8 12.158 9.322 15.707 1.00 0.00 H new ATOM 0 HB3 SER B 8 11.348 7.842 16.182 1.00 0.00 H new ATOM 0 HG SER B 8 13.653 7.604 16.129 1.00 0.00 H new ATOM 1365 N ASN B 9 11.874 6.070 13.418 1.00 0.00 N ATOM 1366 CA ASN B 9 11.704 4.676 13.005 1.00 0.00 C ATOM 1367 C ASN B 9 10.860 3.916 14.019 1.00 0.00 C ATOM 1368 O ASN B 9 10.156 2.971 13.666 1.00 0.00 O ATOM 1369 CB ASN B 9 13.060 3.979 12.827 1.00 0.00 C ATOM 1370 CG ASN B 9 13.915 4.001 14.082 1.00 0.00 C ATOM 1371 OD1 ASN B 9 13.781 3.146 14.954 1.00 0.00 O ATOM 1372 ND2 ASN B 9 14.815 4.966 14.165 1.00 0.00 N ATOM 0 H ASN B 9 12.847 6.362 13.508 1.00 0.00 H new ATOM 0 HA ASN B 9 11.190 4.677 12.044 1.00 0.00 H new ATOM 0 HB2 ASN B 9 12.893 2.944 12.528 1.00 0.00 H new ATOM 0 HB3 ASN B 9 13.605 4.461 12.016 1.00 0.00 H new ATOM 0 HD21 ASN B 9 15.431 5.020 14.976 1.00 0.00 H new ATOM 0 HD22 ASN B 9 14.893 5.656 13.418 1.00 0.00 H new ATOM 1379 N GLU B 10 10.938 4.353 15.273 1.00 0.00 N ATOM 1380 CA GLU B 10 10.105 3.824 16.347 1.00 0.00 C ATOM 1381 C GLU B 10 8.646 3.792 15.896 1.00 0.00 C ATOM 1382 O GLU B 10 7.984 2.751 15.924 1.00 0.00 O ATOM 1383 CB GLU B 10 10.269 4.727 17.581 1.00 0.00 C ATOM 1384 CG GLU B 10 9.744 4.151 18.893 1.00 0.00 C ATOM 1385 CD GLU B 10 8.230 4.159 19.024 1.00 0.00 C ATOM 1386 OE1 GLU B 10 7.585 5.137 18.575 1.00 0.00 O ATOM 1387 OE2 GLU B 10 7.680 3.201 19.605 1.00 0.00 O ATOM 0 H GLU B 10 11.582 5.085 15.573 1.00 0.00 H new ATOM 0 HA GLU B 10 10.409 2.808 16.598 1.00 0.00 H new ATOM 0 HB2 GLU B 10 11.328 4.956 17.703 1.00 0.00 H new ATOM 0 HB3 GLU B 10 9.759 5.671 17.389 1.00 0.00 H new ATOM 0 HG2 GLU B 10 10.099 3.125 18.993 1.00 0.00 H new ATOM 0 HG3 GLU B 10 10.171 4.718 19.720 1.00 0.00 H new ATOM 1394 N ARG B 11 8.175 4.936 15.426 1.00 0.00 N ATOM 1395 CA ARG B 11 6.785 5.086 15.051 1.00 0.00 C ATOM 1396 C ARG B 11 6.544 4.559 13.642 1.00 0.00 C ATOM 1397 O ARG B 11 5.480 4.020 13.356 1.00 0.00 O ATOM 1398 CB ARG B 11 6.360 6.549 15.155 1.00 0.00 C ATOM 1399 CG ARG B 11 4.854 6.729 15.102 1.00 0.00 C ATOM 1400 CD ARG B 11 4.442 8.158 15.388 1.00 0.00 C ATOM 1401 NE ARG B 11 2.997 8.269 15.563 1.00 0.00 N ATOM 1402 CZ ARG B 11 2.388 9.315 16.110 1.00 0.00 C ATOM 1403 NH1 ARG B 11 3.088 10.359 16.535 1.00 0.00 N ATOM 1404 NH2 ARG B 11 1.072 9.309 16.242 1.00 0.00 N ATOM 0 H ARG B 11 8.740 5.775 15.296 1.00 0.00 H new ATOM 0 HA ARG B 11 6.180 4.498 15.741 1.00 0.00 H new ATOM 0 HB2 ARG B 11 6.739 6.967 16.088 1.00 0.00 H new ATOM 0 HB3 ARG B 11 6.818 7.114 14.343 1.00 0.00 H new ATOM 0 HG2 ARG B 11 4.489 6.437 14.118 1.00 0.00 H new ATOM 0 HG3 ARG B 11 4.384 6.064 15.827 1.00 0.00 H new ATOM 0 HD2 ARG B 11 4.947 8.511 16.287 1.00 0.00 H new ATOM 0 HD3 ARG B 11 4.762 8.802 14.569 1.00 0.00 H new ATOM 0 HE ARG B 11 2.417 7.493 15.244 1.00 0.00 H new ATOM 0 HH11 ARG B 11 4.104 10.363 16.443 1.00 0.00 H new ATOM 0 HH12 ARG B 11 2.610 11.157 16.954 1.00 0.00 H new ATOM 0 HH21 ARG B 11 0.531 8.504 15.925 1.00 0.00 H new ATOM 0 HH22 ARG B 11 0.598 10.109 16.661 1.00 0.00 H new ATOM 1418 N VAL B 12 7.537 4.705 12.772 1.00 0.00 N ATOM 1419 CA VAL B 12 7.426 4.216 11.401 1.00 0.00 C ATOM 1420 C VAL B 12 7.109 2.725 11.391 1.00 0.00 C ATOM 1421 O VAL B 12 6.120 2.298 10.792 1.00 0.00 O ATOM 1422 CB VAL B 12 8.716 4.477 10.590 1.00 0.00 C ATOM 1423 CG1 VAL B 12 8.595 3.914 9.179 1.00 0.00 C ATOM 1424 CG2 VAL B 12 9.021 5.966 10.542 1.00 0.00 C ATOM 0 H VAL B 12 8.425 5.156 12.990 1.00 0.00 H new ATOM 0 HA VAL B 12 6.612 4.766 10.928 1.00 0.00 H new ATOM 0 HB VAL B 12 9.540 3.968 11.090 1.00 0.00 H new ATOM 0 HG11 VAL B 12 9.515 4.110 8.629 1.00 0.00 H new ATOM 0 HG12 VAL B 12 8.425 2.839 9.230 1.00 0.00 H new ATOM 0 HG13 VAL B 12 7.758 4.390 8.668 1.00 0.00 H new ATOM 0 HG21 VAL B 12 9.932 6.132 9.967 1.00 0.00 H new ATOM 0 HG22 VAL B 12 8.192 6.492 10.068 1.00 0.00 H new ATOM 0 HG23 VAL B 12 9.158 6.342 11.556 1.00 0.00 H new ATOM 1434 N GLU B 13 7.929 1.948 12.090 1.00 0.00 N ATOM 1435 CA GLU B 13 7.726 0.508 12.176 1.00 0.00 C ATOM 1436 C GLU B 13 6.455 0.192 12.960 1.00 0.00 C ATOM 1437 O GLU B 13 5.746 -0.769 12.650 1.00 0.00 O ATOM 1438 CB GLU B 13 8.933 -0.165 12.833 1.00 0.00 C ATOM 1439 CG GLU B 13 10.247 0.115 12.125 1.00 0.00 C ATOM 1440 CD GLU B 13 10.199 -0.211 10.646 1.00 0.00 C ATOM 1441 OE1 GLU B 13 10.100 -1.408 10.297 1.00 0.00 O ATOM 1442 OE2 GLU B 13 10.275 0.728 9.828 1.00 0.00 O ATOM 0 H GLU B 13 8.740 2.292 12.605 1.00 0.00 H new ATOM 0 HA GLU B 13 7.617 0.117 11.164 1.00 0.00 H new ATOM 0 HB2 GLU B 13 9.008 0.172 13.867 1.00 0.00 H new ATOM 0 HB3 GLU B 13 8.767 -1.242 12.860 1.00 0.00 H new ATOM 0 HG2 GLU B 13 10.506 1.166 12.252 1.00 0.00 H new ATOM 0 HG3 GLU B 13 11.039 -0.468 12.595 1.00 0.00 H new ATOM 1449 N LYS B 14 6.183 1.007 13.976 1.00 0.00 N ATOM 1450 CA LYS B 14 4.959 0.893 14.764 1.00 0.00 C ATOM 1451 C LYS B 14 3.719 0.925 13.866 1.00 0.00 C ATOM 1452 O LYS B 14 2.842 0.069 13.976 1.00 0.00 O ATOM 1453 CB LYS B 14 4.911 2.038 15.779 1.00 0.00 C ATOM 1454 CG LYS B 14 3.611 2.146 16.557 1.00 0.00 C ATOM 1455 CD LYS B 14 3.646 3.335 17.506 1.00 0.00 C ATOM 1456 CE LYS B 14 4.673 3.129 18.610 1.00 0.00 C ATOM 1457 NZ LYS B 14 4.997 4.394 19.325 1.00 0.00 N ATOM 0 H LYS B 14 6.801 1.761 14.275 1.00 0.00 H new ATOM 0 HA LYS B 14 4.962 -0.063 15.287 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.731 1.913 16.486 1.00 0.00 H new ATOM 0 HB3 LYS B 14 5.083 2.978 15.254 1.00 0.00 H new ATOM 0 HG2 LYS B 14 2.776 2.252 15.865 1.00 0.00 H new ATOM 0 HG3 LYS B 14 3.443 1.229 17.122 1.00 0.00 H new ATOM 0 HD2 LYS B 14 3.884 4.241 16.949 1.00 0.00 H new ATOM 0 HD3 LYS B 14 2.660 3.481 17.946 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.294 2.398 19.324 1.00 0.00 H new ATOM 0 HE3 LYS B 14 5.585 2.713 18.182 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.156 4.192 20.333 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 5.856 4.813 18.916 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 4.205 5.061 19.226 1.00 0.00 H new ATOM 1471 N ILE B 15 3.667 1.904 12.968 1.00 0.00 N ATOM 1472 CA ILE B 15 2.530 2.062 12.066 1.00 0.00 C ATOM 1473 C ILE B 15 2.450 0.902 11.080 1.00 0.00 C ATOM 1474 O ILE B 15 1.367 0.388 10.797 1.00 0.00 O ATOM 1475 CB ILE B 15 2.611 3.391 11.284 1.00 0.00 C ATOM 1476 CG1 ILE B 15 2.736 4.563 12.256 1.00 0.00 C ATOM 1477 CG2 ILE B 15 1.386 3.567 10.394 1.00 0.00 C ATOM 1478 CD1 ILE B 15 2.939 5.898 11.576 1.00 0.00 C ATOM 0 H ILE B 15 4.401 2.602 12.845 1.00 0.00 H new ATOM 0 HA ILE B 15 1.632 2.072 12.683 1.00 0.00 H new ATOM 0 HB ILE B 15 3.495 3.366 10.646 1.00 0.00 H new ATOM 0 HG12 ILE B 15 1.837 4.611 12.870 1.00 0.00 H new ATOM 0 HG13 ILE B 15 3.573 4.377 12.929 1.00 0.00 H new ATOM 0 HG21 ILE B 15 1.463 4.509 9.852 1.00 0.00 H new ATOM 0 HG22 ILE B 15 1.331 2.743 9.683 1.00 0.00 H new ATOM 0 HG23 ILE B 15 0.487 3.575 11.010 1.00 0.00 H new ATOM 0 HD11 ILE B 15 3.019 6.682 12.329 1.00 0.00 H new ATOM 0 HD12 ILE B 15 3.854 5.869 10.984 1.00 0.00 H new ATOM 0 HD13 ILE B 15 2.091 6.107 10.924 1.00 0.00 H new ATOM 1490 N ILE B 16 3.604 0.484 10.568 1.00 0.00 N ATOM 1491 CA ILE B 16 3.668 -0.628 9.630 1.00 0.00 C ATOM 1492 C ILE B 16 3.080 -1.892 10.251 1.00 0.00 C ATOM 1493 O ILE B 16 2.250 -2.564 9.640 1.00 0.00 O ATOM 1494 CB ILE B 16 5.117 -0.902 9.172 1.00 0.00 C ATOM 1495 CG1 ILE B 16 5.688 0.331 8.468 1.00 0.00 C ATOM 1496 CG2 ILE B 16 5.169 -2.114 8.248 1.00 0.00 C ATOM 1497 CD1 ILE B 16 7.146 0.201 8.093 1.00 0.00 C ATOM 0 H ILE B 16 4.508 0.901 10.789 1.00 0.00 H new ATOM 0 HA ILE B 16 3.079 -0.348 8.757 1.00 0.00 H new ATOM 0 HB ILE B 16 5.724 -1.117 10.051 1.00 0.00 H new ATOM 0 HG12 ILE B 16 5.107 0.524 7.566 1.00 0.00 H new ATOM 0 HG13 ILE B 16 5.566 1.198 9.118 1.00 0.00 H new ATOM 0 HG21 ILE B 16 6.199 -2.290 7.937 1.00 0.00 H new ATOM 0 HG22 ILE B 16 4.795 -2.991 8.776 1.00 0.00 H new ATOM 0 HG23 ILE B 16 4.551 -1.929 7.370 1.00 0.00 H new ATOM 0 HD11 ILE B 16 7.477 1.114 7.599 1.00 0.00 H new ATOM 0 HD12 ILE B 16 7.740 0.039 8.992 1.00 0.00 H new ATOM 0 HD13 ILE B 16 7.274 -0.644 7.417 1.00 0.00 H new ATOM 1509 N GLN B 17 3.490 -2.195 11.478 1.00 0.00 N ATOM 1510 CA GLN B 17 3.022 -3.395 12.159 1.00 0.00 C ATOM 1511 C GLN B 17 1.537 -3.286 12.487 1.00 0.00 C ATOM 1512 O GLN B 17 0.813 -4.274 12.421 1.00 0.00 O ATOM 1513 CB GLN B 17 3.821 -3.646 13.440 1.00 0.00 C ATOM 1514 CG GLN B 17 3.478 -4.972 14.110 1.00 0.00 C ATOM 1515 CD GLN B 17 3.788 -6.169 13.225 1.00 0.00 C ATOM 1516 OE1 GLN B 17 4.722 -6.136 12.424 1.00 0.00 O ATOM 1517 NE2 GLN B 17 3.010 -7.234 13.357 1.00 0.00 N ATOM 0 H GLN B 17 4.143 -1.628 12.019 1.00 0.00 H new ATOM 0 HA GLN B 17 3.173 -4.238 11.485 1.00 0.00 H new ATOM 0 HB2 GLN B 17 4.885 -3.629 13.206 1.00 0.00 H new ATOM 0 HB3 GLN B 17 3.636 -2.833 14.142 1.00 0.00 H new ATOM 0 HG2 GLN B 17 4.036 -5.059 15.042 1.00 0.00 H new ATOM 0 HG3 GLN B 17 2.420 -4.981 14.370 1.00 0.00 H new ATOM 0 HE21 GLN B 17 2.245 -7.226 14.031 1.00 0.00 H new ATOM 0 HE22 GLN B 17 3.177 -8.061 12.784 1.00 0.00 H new ATOM 1526 N ASP B 18 1.095 -2.082 12.832 1.00 0.00 N ATOM 1527 CA ASP B 18 -0.307 -1.843 13.170 1.00 0.00 C ATOM 1528 C ASP B 18 -1.195 -2.203 11.978 1.00 0.00 C ATOM 1529 O ASP B 18 -2.165 -2.959 12.104 1.00 0.00 O ATOM 1530 CB ASP B 18 -0.501 -0.373 13.561 1.00 0.00 C ATOM 1531 CG ASP B 18 -1.608 -0.164 14.579 1.00 0.00 C ATOM 1532 OD1 ASP B 18 -1.558 -0.800 15.653 1.00 0.00 O ATOM 1533 OD2 ASP B 18 -2.501 0.677 14.346 1.00 0.00 O ATOM 0 H ASP B 18 1.687 -1.253 12.886 1.00 0.00 H new ATOM 0 HA ASP B 18 -0.589 -2.470 14.016 1.00 0.00 H new ATOM 0 HB2 ASP B 18 0.434 0.015 13.966 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -0.725 0.207 12.666 1.00 0.00 H new ATOM 1538 N LEU B 19 -0.823 -1.679 10.812 1.00 0.00 N ATOM 1539 CA LEU B 19 -1.521 -1.975 9.566 1.00 0.00 C ATOM 1540 C LEU B 19 -1.457 -3.466 9.247 1.00 0.00 C ATOM 1541 O LEU B 19 -2.470 -4.084 8.912 1.00 0.00 O ATOM 1542 CB LEU B 19 -0.904 -1.177 8.412 1.00 0.00 C ATOM 1543 CG LEU B 19 -1.032 0.343 8.520 1.00 0.00 C ATOM 1544 CD1 LEU B 19 -0.174 1.021 7.464 1.00 0.00 C ATOM 1545 CD2 LEU B 19 -2.483 0.766 8.368 1.00 0.00 C ATOM 0 H LEU B 19 -0.034 -1.041 10.706 1.00 0.00 H new ATOM 0 HA LEU B 19 -2.566 -1.688 9.688 1.00 0.00 H new ATOM 0 HB2 LEU B 19 0.154 -1.431 8.342 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -1.371 -1.498 7.481 1.00 0.00 H new ATOM 0 HG LEU B 19 -0.682 0.650 9.506 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -0.275 2.103 7.553 1.00 0.00 H new ATOM 0 HD12 LEU B 19 0.869 0.741 7.608 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -0.501 0.706 6.473 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -2.556 1.851 8.447 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -2.855 0.448 7.394 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -3.081 0.304 9.153 1.00 0.00 H new ATOM 1557 N LEU B 20 -0.260 -4.039 9.354 1.00 0.00 N ATOM 1558 CA LEU B 20 -0.058 -5.450 9.049 1.00 0.00 C ATOM 1559 C LEU B 20 -0.871 -6.339 9.981 1.00 0.00 C ATOM 1560 O LEU B 20 -1.443 -7.331 9.545 1.00 0.00 O ATOM 1561 CB LEU B 20 1.424 -5.822 9.133 1.00 0.00 C ATOM 1562 CG LEU B 20 2.321 -5.166 8.082 1.00 0.00 C ATOM 1563 CD1 LEU B 20 3.760 -5.623 8.254 1.00 0.00 C ATOM 1564 CD2 LEU B 20 1.826 -5.485 6.679 1.00 0.00 C ATOM 0 H LEU B 20 0.583 -3.547 9.650 1.00 0.00 H new ATOM 0 HA LEU B 20 -0.403 -5.615 8.028 1.00 0.00 H new ATOM 0 HB2 LEU B 20 1.794 -5.553 10.122 1.00 0.00 H new ATOM 0 HB3 LEU B 20 1.516 -6.904 9.042 1.00 0.00 H new ATOM 0 HG LEU B 20 2.281 -4.086 8.222 1.00 0.00 H new ATOM 0 HD11 LEU B 20 4.386 -5.147 7.499 1.00 0.00 H new ATOM 0 HD12 LEU B 20 4.114 -5.344 9.246 1.00 0.00 H new ATOM 0 HD13 LEU B 20 3.814 -6.706 8.140 1.00 0.00 H new ATOM 0 HD21 LEU B 20 2.478 -5.009 5.946 1.00 0.00 H new ATOM 0 HD22 LEU B 20 1.836 -6.564 6.526 1.00 0.00 H new ATOM 0 HD23 LEU B 20 0.810 -5.111 6.558 1.00 0.00 H new ATOM 1576 N ASP B 21 -0.931 -5.973 11.257 1.00 0.00 N ATOM 1577 CA ASP B 21 -1.676 -6.753 12.238 1.00 0.00 C ATOM 1578 C ASP B 21 -3.145 -6.828 11.855 1.00 0.00 C ATOM 1579 O ASP B 21 -3.748 -7.895 11.926 1.00 0.00 O ATOM 1580 CB ASP B 21 -1.538 -6.163 13.641 1.00 0.00 C ATOM 1581 CG ASP B 21 -2.190 -7.033 14.703 1.00 0.00 C ATOM 1582 OD1 ASP B 21 -1.603 -8.078 15.069 1.00 0.00 O ATOM 1583 OD2 ASP B 21 -3.281 -6.678 15.186 1.00 0.00 O ATOM 0 H ASP B 21 -0.474 -5.143 11.635 1.00 0.00 H new ATOM 0 HA ASP B 21 -1.255 -7.758 12.246 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -0.481 -6.037 13.877 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -1.989 -5.171 13.661 1.00 0.00 H new ATOM 1588 N VAL B 22 -3.711 -5.697 11.435 1.00 0.00 N ATOM 1589 CA VAL B 22 -5.095 -5.670 10.961 1.00 0.00 C ATOM 1590 C VAL B 22 -5.281 -6.645 9.797 1.00 0.00 C ATOM 1591 O VAL B 22 -6.216 -7.448 9.785 1.00 0.00 O ATOM 1592 CB VAL B 22 -5.521 -4.251 10.512 1.00 0.00 C ATOM 1593 CG1 VAL B 22 -6.939 -4.260 9.955 1.00 0.00 C ATOM 1594 CG2 VAL B 22 -5.412 -3.264 11.665 1.00 0.00 C ATOM 0 H VAL B 22 -3.237 -4.794 11.413 1.00 0.00 H new ATOM 0 HA VAL B 22 -5.727 -5.970 11.797 1.00 0.00 H new ATOM 0 HB VAL B 22 -4.843 -3.933 9.720 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -7.215 -3.252 9.646 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -6.988 -4.929 9.096 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -7.630 -4.606 10.724 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -5.716 -2.274 11.326 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -6.061 -3.584 12.480 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -4.381 -3.226 12.016 1.00 0.00 H new ATOM 1604 N LEU B 23 -4.365 -6.584 8.835 1.00 0.00 N ATOM 1605 CA LEU B 23 -4.418 -7.446 7.658 1.00 0.00 C ATOM 1606 C LEU B 23 -4.275 -8.918 8.043 1.00 0.00 C ATOM 1607 O LEU B 23 -5.064 -9.763 7.617 1.00 0.00 O ATOM 1608 CB LEU B 23 -3.313 -7.060 6.671 1.00 0.00 C ATOM 1609 CG LEU B 23 -3.381 -5.628 6.136 1.00 0.00 C ATOM 1610 CD1 LEU B 23 -2.180 -5.337 5.249 1.00 0.00 C ATOM 1611 CD2 LEU B 23 -4.675 -5.405 5.367 1.00 0.00 C ATOM 0 H LEU B 23 -3.572 -5.942 8.848 1.00 0.00 H new ATOM 0 HA LEU B 23 -5.391 -7.308 7.186 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -2.348 -7.202 7.158 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -3.348 -7.747 5.826 1.00 0.00 H new ATOM 0 HG LEU B 23 -3.362 -4.942 6.983 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -2.242 -4.315 4.876 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -1.263 -5.457 5.827 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -2.172 -6.030 4.408 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -4.705 -4.381 4.994 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -4.723 -6.098 4.527 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -5.525 -5.576 6.028 1.00 0.00 H new ATOM 1623 N VAL B 24 -3.267 -9.213 8.859 1.00 0.00 N ATOM 1624 CA VAL B 24 -2.989 -10.582 9.279 1.00 0.00 C ATOM 1625 C VAL B 24 -4.117 -11.127 10.152 1.00 0.00 C ATOM 1626 O VAL B 24 -4.453 -12.308 10.072 1.00 0.00 O ATOM 1627 CB VAL B 24 -1.647 -10.678 10.042 1.00 0.00 C ATOM 1628 CG1 VAL B 24 -1.411 -12.091 10.556 1.00 0.00 C ATOM 1629 CG2 VAL B 24 -0.493 -10.245 9.149 1.00 0.00 C ATOM 0 H VAL B 24 -2.627 -8.518 9.244 1.00 0.00 H new ATOM 0 HA VAL B 24 -2.917 -11.186 8.375 1.00 0.00 H new ATOM 0 HB VAL B 24 -1.700 -10.006 10.899 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -0.461 -12.130 11.088 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -2.218 -12.372 11.233 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -1.385 -12.784 9.715 1.00 0.00 H new ATOM 0 HG21 VAL B 24 0.443 -10.319 9.703 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -0.449 -10.892 8.273 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -0.646 -9.214 8.831 1.00 0.00 H new ATOM 1639 N LYS B 25 -4.707 -10.263 10.972 1.00 0.00 N ATOM 1640 CA LYS B 25 -5.815 -10.662 11.835 1.00 0.00 C ATOM 1641 C LYS B 25 -6.980 -11.186 10.999 1.00 0.00 C ATOM 1642 O LYS B 25 -7.636 -12.156 11.371 1.00 0.00 O ATOM 1643 CB LYS B 25 -6.280 -9.484 12.692 1.00 0.00 C ATOM 1644 CG LYS B 25 -7.217 -9.885 13.816 1.00 0.00 C ATOM 1645 CD LYS B 25 -7.672 -8.681 14.620 1.00 0.00 C ATOM 1646 CE LYS B 25 -8.446 -9.103 15.858 1.00 0.00 C ATOM 1647 NZ LYS B 25 -7.587 -9.828 16.834 1.00 0.00 N ATOM 0 H LYS B 25 -4.437 -9.283 11.058 1.00 0.00 H new ATOM 0 HA LYS B 25 -5.465 -11.458 12.492 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -5.408 -8.987 13.117 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -6.782 -8.756 12.054 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -8.086 -10.396 13.401 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -6.714 -10.594 14.474 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -6.805 -8.089 14.915 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -8.298 -8.041 13.998 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -8.873 -8.222 16.336 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -9.279 -9.742 15.564 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -8.055 -9.844 17.763 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -7.435 -10.803 16.506 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -6.670 -9.344 16.916 1.00 0.00 H new ATOM 1661 N GLU B 26 -7.215 -10.547 9.862 1.00 0.00 N ATOM 1662 CA GLU B 26 -8.294 -10.945 8.967 1.00 0.00 C ATOM 1663 C GLU B 26 -7.865 -12.092 8.052 1.00 0.00 C ATOM 1664 O GLU B 26 -8.702 -12.704 7.385 1.00 0.00 O ATOM 1665 CB GLU B 26 -8.748 -9.754 8.124 1.00 0.00 C ATOM 1666 CG GLU B 26 -9.472 -8.684 8.922 1.00 0.00 C ATOM 1667 CD GLU B 26 -10.754 -9.198 9.539 1.00 0.00 C ATOM 1668 OE1 GLU B 26 -11.678 -9.560 8.780 1.00 0.00 O ATOM 1669 OE2 GLU B 26 -10.853 -9.240 10.782 1.00 0.00 O ATOM 0 H GLU B 26 -6.671 -9.748 9.536 1.00 0.00 H new ATOM 0 HA GLU B 26 -9.125 -11.292 9.582 1.00 0.00 H new ATOM 0 HB2 GLU B 26 -7.878 -9.309 7.641 1.00 0.00 H new ATOM 0 HB3 GLU B 26 -9.405 -10.111 7.331 1.00 0.00 H new ATOM 0 HG2 GLU B 26 -8.815 -8.314 9.709 1.00 0.00 H new ATOM 0 HG3 GLU B 26 -9.698 -7.839 8.272 1.00 0.00 H new ATOM 1676 N GLU B 27 -6.561 -12.371 8.032 1.00 0.00 N ATOM 1677 CA GLU B 27 -5.993 -13.415 7.177 1.00 0.00 C ATOM 1678 C GLU B 27 -6.285 -13.134 5.710 1.00 0.00 C ATOM 1679 O GLU B 27 -6.598 -14.045 4.937 1.00 0.00 O ATOM 1680 CB GLU B 27 -6.532 -14.793 7.565 1.00 0.00 C ATOM 1681 CG GLU B 27 -6.033 -15.285 8.909 1.00 0.00 C ATOM 1682 CD GLU B 27 -6.509 -16.683 9.224 1.00 0.00 C ATOM 1683 OE1 GLU B 27 -6.107 -17.627 8.513 1.00 0.00 O ATOM 1684 OE2 GLU B 27 -7.280 -16.847 10.190 1.00 0.00 O ATOM 0 H GLU B 27 -5.872 -11.883 8.604 1.00 0.00 H new ATOM 0 HA GLU B 27 -4.913 -13.411 7.323 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -7.621 -14.756 7.583 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -6.250 -15.513 6.797 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.943 -15.265 8.918 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -6.371 -14.604 9.690 1.00 0.00 H new ATOM 1691 N VAL B 28 -6.158 -11.870 5.329 1.00 0.00 N ATOM 1692 CA VAL B 28 -6.435 -11.450 3.966 1.00 0.00 C ATOM 1693 C VAL B 28 -5.410 -12.033 2.993 1.00 0.00 C ATOM 1694 O VAL B 28 -4.217 -12.104 3.292 1.00 0.00 O ATOM 1695 CB VAL B 28 -6.453 -9.908 3.837 1.00 0.00 C ATOM 1696 CG1 VAL B 28 -7.540 -9.306 4.715 1.00 0.00 C ATOM 1697 CG2 VAL B 28 -5.096 -9.309 4.188 1.00 0.00 C ATOM 0 H VAL B 28 -5.863 -11.116 5.950 1.00 0.00 H new ATOM 0 HA VAL B 28 -7.425 -11.830 3.712 1.00 0.00 H new ATOM 0 HB VAL B 28 -6.672 -9.665 2.797 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -7.534 -8.221 4.609 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -8.511 -9.696 4.410 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -7.354 -9.569 5.756 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -5.140 -8.224 4.088 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -4.838 -9.569 5.215 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -4.338 -9.705 3.513 1.00 0.00 H new ATOM 1707 N THR B 29 -5.892 -12.471 1.841 1.00 0.00 N ATOM 1708 CA THR B 29 -5.022 -12.964 0.788 1.00 0.00 C ATOM 1709 C THR B 29 -4.255 -11.794 0.175 1.00 0.00 C ATOM 1710 O THR B 29 -4.767 -10.672 0.146 1.00 0.00 O ATOM 1711 CB THR B 29 -5.837 -13.717 -0.297 1.00 0.00 C ATOM 1712 OG1 THR B 29 -4.989 -14.145 -1.369 1.00 0.00 O ATOM 1713 CG2 THR B 29 -6.953 -12.850 -0.855 1.00 0.00 C ATOM 0 H THR B 29 -6.886 -12.495 1.612 1.00 0.00 H new ATOM 0 HA THR B 29 -4.312 -13.672 1.216 1.00 0.00 H new ATOM 0 HB THR B 29 -6.278 -14.590 0.183 1.00 0.00 H new ATOM 0 HG1 THR B 29 -4.641 -15.040 -1.174 1.00 0.00 H new ATOM 0 HG21 THR B 29 -7.503 -13.408 -1.612 1.00 0.00 H new ATOM 0 HG22 THR B 29 -7.630 -12.566 -0.050 1.00 0.00 H new ATOM 0 HG23 THR B 29 -6.527 -11.953 -1.304 1.00 0.00 H new ATOM 1721 N PRO B 30 -3.004 -12.026 -0.279 1.00 0.00 N ATOM 1722 CA PRO B 30 -2.164 -10.987 -0.886 1.00 0.00 C ATOM 1723 C PRO B 30 -2.919 -10.104 -1.880 1.00 0.00 C ATOM 1724 O PRO B 30 -2.751 -8.888 -1.884 1.00 0.00 O ATOM 1725 CB PRO B 30 -1.083 -11.794 -1.599 1.00 0.00 C ATOM 1726 CG PRO B 30 -0.932 -13.024 -0.775 1.00 0.00 C ATOM 1727 CD PRO B 30 -2.298 -13.322 -0.209 1.00 0.00 C ATOM 0 HA PRO B 30 -1.785 -10.288 -0.140 1.00 0.00 H new ATOM 0 HB2 PRO B 30 -1.376 -12.034 -2.621 1.00 0.00 H new ATOM 0 HB3 PRO B 30 -0.147 -11.238 -1.658 1.00 0.00 H new ATOM 0 HG2 PRO B 30 -0.571 -13.856 -1.380 1.00 0.00 H new ATOM 0 HG3 PRO B 30 -0.205 -12.871 0.023 1.00 0.00 H new ATOM 0 HD2 PRO B 30 -2.812 -14.088 -0.789 1.00 0.00 H new ATOM 0 HD3 PRO B 30 -2.234 -13.687 0.816 1.00 0.00 H new ATOM 1735 N ASP B 31 -3.762 -10.719 -2.704 1.00 0.00 N ATOM 1736 CA ASP B 31 -4.543 -9.980 -3.697 1.00 0.00 C ATOM 1737 C ASP B 31 -5.524 -9.026 -3.016 1.00 0.00 C ATOM 1738 O ASP B 31 -5.615 -7.849 -3.370 1.00 0.00 O ATOM 1739 CB ASP B 31 -5.295 -10.949 -4.609 1.00 0.00 C ATOM 1740 CG ASP B 31 -6.179 -10.234 -5.612 1.00 0.00 C ATOM 1741 OD1 ASP B 31 -5.642 -9.648 -6.575 1.00 0.00 O ATOM 1742 OD2 ASP B 31 -7.416 -10.269 -5.451 1.00 0.00 O ATOM 0 H ASP B 31 -3.923 -11.726 -2.706 1.00 0.00 H new ATOM 0 HA ASP B 31 -3.855 -9.390 -4.302 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -4.577 -11.573 -5.142 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -5.906 -11.615 -4.001 1.00 0.00 H new ATOM 1747 N LEU B 32 -6.238 -9.537 -2.019 1.00 0.00 N ATOM 1748 CA LEU B 32 -7.170 -8.725 -1.243 1.00 0.00 C ATOM 1749 C LEU B 32 -6.427 -7.610 -0.521 1.00 0.00 C ATOM 1750 O LEU B 32 -6.897 -6.472 -0.463 1.00 0.00 O ATOM 1751 CB LEU B 32 -7.929 -9.596 -0.234 1.00 0.00 C ATOM 1752 CG LEU B 32 -8.910 -8.850 0.678 1.00 0.00 C ATOM 1753 CD1 LEU B 32 -9.980 -8.148 -0.144 1.00 0.00 C ATOM 1754 CD2 LEU B 32 -9.545 -9.812 1.668 1.00 0.00 C ATOM 0 H LEU B 32 -6.189 -10.513 -1.728 1.00 0.00 H new ATOM 0 HA LEU B 32 -7.891 -8.278 -1.928 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -8.480 -10.360 -0.783 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -7.202 -10.114 0.391 1.00 0.00 H new ATOM 0 HG LEU B 32 -8.356 -8.093 1.234 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.666 -7.625 0.522 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -9.510 -7.431 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -10.532 -8.885 -0.727 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -10.239 -9.269 2.309 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -10.084 -10.589 1.126 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -8.768 -10.270 2.280 1.00 0.00 H new ATOM 1766 N ALA B 33 -5.261 -7.946 0.016 1.00 0.00 N ATOM 1767 CA ALA B 33 -4.423 -6.975 0.700 1.00 0.00 C ATOM 1768 C ALA B 33 -4.010 -5.857 -0.250 1.00 0.00 C ATOM 1769 O ALA B 33 -4.163 -4.680 0.067 1.00 0.00 O ATOM 1770 CB ALA B 33 -3.195 -7.655 1.285 1.00 0.00 C ATOM 0 H ALA B 33 -4.874 -8.890 -0.010 1.00 0.00 H new ATOM 0 HA ALA B 33 -5.000 -6.537 1.515 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -2.577 -6.915 1.794 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -3.507 -8.419 1.997 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -2.620 -8.119 0.484 1.00 0.00 H new ATOM 1776 N LEU B 34 -3.508 -6.234 -1.423 1.00 0.00 N ATOM 1777 CA LEU B 34 -3.073 -5.262 -2.420 1.00 0.00 C ATOM 1778 C LEU B 34 -4.233 -4.376 -2.861 1.00 0.00 C ATOM 1779 O LEU B 34 -4.073 -3.168 -3.027 1.00 0.00 O ATOM 1780 CB LEU B 34 -2.460 -5.967 -3.635 1.00 0.00 C ATOM 1781 CG LEU B 34 -1.180 -6.759 -3.352 1.00 0.00 C ATOM 1782 CD1 LEU B 34 -0.656 -7.398 -4.630 1.00 0.00 C ATOM 1783 CD2 LEU B 34 -0.119 -5.865 -2.728 1.00 0.00 C ATOM 0 H LEU B 34 -3.393 -7.207 -1.706 1.00 0.00 H new ATOM 0 HA LEU B 34 -2.312 -4.632 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.203 -6.646 -4.054 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.244 -5.219 -4.398 1.00 0.00 H new ATOM 0 HG LEU B 34 -1.418 -7.551 -2.642 1.00 0.00 H new ATOM 0 HD11 LEU B 34 0.254 -7.957 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -1.409 -8.075 -5.034 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -0.437 -6.621 -5.362 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.781 -6.449 -2.536 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.117 -5.049 -3.411 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.494 -5.456 -1.790 1.00 0.00 H new ATOM 1795 N MET B 35 -5.403 -4.979 -3.035 1.00 0.00 N ATOM 1796 CA MET B 35 -6.587 -4.238 -3.448 1.00 0.00 C ATOM 1797 C MET B 35 -6.984 -3.210 -2.388 1.00 0.00 C ATOM 1798 O MET B 35 -7.322 -2.071 -2.713 1.00 0.00 O ATOM 1799 CB MET B 35 -7.753 -5.189 -3.731 1.00 0.00 C ATOM 1800 CG MET B 35 -9.018 -4.481 -4.191 1.00 0.00 C ATOM 1801 SD MET B 35 -10.286 -5.626 -4.778 1.00 0.00 S ATOM 1802 CE MET B 35 -10.569 -6.611 -3.310 1.00 0.00 C ATOM 0 H MET B 35 -5.556 -5.978 -2.897 1.00 0.00 H new ATOM 0 HA MET B 35 -6.345 -3.706 -4.368 1.00 0.00 H new ATOM 0 HB2 MET B 35 -7.450 -5.905 -4.494 1.00 0.00 H new ATOM 0 HB3 MET B 35 -7.973 -5.759 -2.828 1.00 0.00 H new ATOM 0 HG2 MET B 35 -9.420 -3.892 -3.366 1.00 0.00 H new ATOM 0 HG3 MET B 35 -8.768 -3.782 -4.989 1.00 0.00 H new ATOM 0 HE1 MET B 35 -11.504 -7.161 -3.416 1.00 0.00 H new ATOM 0 HE2 MET B 35 -9.747 -7.314 -3.180 1.00 0.00 H new ATOM 0 HE3 MET B 35 -10.629 -5.958 -2.439 1.00 0.00 H new ATOM 1812 N CYS B 36 -6.925 -3.603 -1.121 1.00 0.00 N ATOM 1813 CA CYS B 36 -7.277 -2.700 -0.032 1.00 0.00 C ATOM 1814 C CYS B 36 -6.214 -1.615 0.138 1.00 0.00 C ATOM 1815 O CYS B 36 -6.534 -0.426 0.203 1.00 0.00 O ATOM 1816 CB CYS B 36 -7.450 -3.480 1.272 1.00 0.00 C ATOM 1817 SG CYS B 36 -8.700 -4.781 1.186 1.00 0.00 S ATOM 0 H CYS B 36 -6.638 -4.536 -0.823 1.00 0.00 H new ATOM 0 HA CYS B 36 -8.223 -2.218 -0.281 1.00 0.00 H new ATOM 0 HB2 CYS B 36 -6.494 -3.926 1.547 1.00 0.00 H new ATOM 0 HB3 CYS B 36 -7.718 -2.784 2.067 1.00 0.00 H new ATOM 0 HG CYS B 36 -8.221 -5.801 0.538 1.00 0.00 H new ATOM 1823 N LEU B 37 -4.949 -2.030 0.186 1.00 0.00 N ATOM 1824 CA LEU B 37 -3.837 -1.101 0.358 1.00 0.00 C ATOM 1825 C LEU B 37 -3.753 -0.125 -0.810 1.00 0.00 C ATOM 1826 O LEU B 37 -3.475 1.057 -0.617 1.00 0.00 O ATOM 1827 CB LEU B 37 -2.514 -1.862 0.500 1.00 0.00 C ATOM 1828 CG LEU B 37 -2.385 -2.720 1.759 1.00 0.00 C ATOM 1829 CD1 LEU B 37 -1.107 -3.542 1.713 1.00 0.00 C ATOM 1830 CD2 LEU B 37 -2.409 -1.845 3.004 1.00 0.00 C ATOM 0 H LEU B 37 -4.670 -3.008 0.108 1.00 0.00 H new ATOM 0 HA LEU B 37 -4.017 -0.533 1.271 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.388 -2.504 -0.372 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -1.696 -1.141 0.486 1.00 0.00 H new ATOM 0 HG LEU B 37 -3.234 -3.402 1.800 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -1.031 -4.147 2.617 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -1.125 -4.194 0.840 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -0.247 -2.875 1.649 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -2.316 -2.472 3.891 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -1.578 -1.140 2.969 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -3.350 -1.296 3.045 1.00 0.00 H new ATOM 1842 N GLY B 38 -4.014 -0.622 -2.014 1.00 0.00 N ATOM 1843 CA GLY B 38 -3.976 0.222 -3.195 1.00 0.00 C ATOM 1844 C GLY B 38 -4.950 1.379 -3.110 1.00 0.00 C ATOM 1845 O GLY B 38 -4.597 2.518 -3.420 1.00 0.00 O ATOM 0 H GLY B 38 -4.252 -1.597 -2.194 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -2.966 0.610 -3.329 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -4.206 -0.379 -4.075 1.00 0.00 H new ATOM 1849 N ASN B 39 -6.171 1.093 -2.667 1.00 0.00 N ATOM 1850 CA ASN B 39 -7.196 2.125 -2.536 1.00 0.00 C ATOM 1851 C ASN B 39 -6.844 3.104 -1.425 1.00 0.00 C ATOM 1852 O ASN B 39 -7.170 4.289 -1.502 1.00 0.00 O ATOM 1853 CB ASN B 39 -8.572 1.509 -2.275 1.00 0.00 C ATOM 1854 CG ASN B 39 -9.233 0.992 -3.542 1.00 0.00 C ATOM 1855 OD1 ASN B 39 -9.950 1.724 -4.223 1.00 0.00 O ATOM 1856 ND2 ASN B 39 -9.004 -0.271 -3.869 1.00 0.00 N ATOM 0 H ASN B 39 -6.475 0.158 -2.393 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.235 2.668 -3.480 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -8.470 0.690 -1.563 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -9.218 2.255 -1.812 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -9.428 -0.665 -4.709 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -8.404 -0.849 -3.281 1.00 0.00 H new ATOM 1863 N ALA B 40 -6.172 2.607 -0.396 1.00 0.00 N ATOM 1864 CA ALA B 40 -5.711 3.457 0.689 1.00 0.00 C ATOM 1865 C ALA B 40 -4.648 4.432 0.189 1.00 0.00 C ATOM 1866 O ALA B 40 -4.741 5.638 0.414 1.00 0.00 O ATOM 1867 CB ALA B 40 -5.170 2.609 1.832 1.00 0.00 C ATOM 0 H ALA B 40 -5.935 1.621 -0.291 1.00 0.00 H new ATOM 0 HA ALA B 40 -6.556 4.036 1.061 1.00 0.00 H new ATOM 0 HB1 ALA B 40 -4.828 3.259 2.637 1.00 0.00 H new ATOM 0 HB2 ALA B 40 -5.958 1.954 2.204 1.00 0.00 H new ATOM 0 HB3 ALA B 40 -4.336 2.006 1.474 1.00 0.00 H new ATOM 1873 N VAL B 41 -3.659 3.901 -0.526 1.00 0.00 N ATOM 1874 CA VAL B 41 -2.554 4.710 -1.034 1.00 0.00 C ATOM 1875 C VAL B 41 -3.043 5.720 -2.068 1.00 0.00 C ATOM 1876 O VAL B 41 -2.672 6.894 -2.025 1.00 0.00 O ATOM 1877 CB VAL B 41 -1.444 3.839 -1.669 1.00 0.00 C ATOM 1878 CG1 VAL B 41 -0.314 4.709 -2.202 1.00 0.00 C ATOM 1879 CG2 VAL B 41 -0.909 2.829 -0.666 1.00 0.00 C ATOM 0 H VAL B 41 -3.600 2.912 -0.767 1.00 0.00 H new ATOM 0 HA VAL B 41 -2.137 5.237 -0.176 1.00 0.00 H new ATOM 0 HB VAL B 41 -1.881 3.293 -2.505 1.00 0.00 H new ATOM 0 HG11 VAL B 41 0.455 4.076 -2.644 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -0.704 5.388 -2.960 1.00 0.00 H new ATOM 0 HG13 VAL B 41 0.117 5.287 -1.384 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -0.130 2.228 -1.135 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -0.494 3.355 0.194 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -1.720 2.179 -0.337 1.00 0.00 H new ATOM 1889 N THR B 42 -3.900 5.268 -2.978 1.00 0.00 N ATOM 1890 CA THR B 42 -4.356 6.117 -4.068 1.00 0.00 C ATOM 1891 C THR B 42 -5.182 7.293 -3.547 1.00 0.00 C ATOM 1892 O THR B 42 -5.252 8.344 -4.187 1.00 0.00 O ATOM 1893 CB THR B 42 -5.174 5.315 -5.112 1.00 0.00 C ATOM 1894 OG1 THR B 42 -5.428 6.119 -6.270 1.00 0.00 O ATOM 1895 CG2 THR B 42 -6.501 4.841 -4.543 1.00 0.00 C ATOM 0 H THR B 42 -4.289 4.325 -2.981 1.00 0.00 H new ATOM 0 HA THR B 42 -3.465 6.508 -4.559 1.00 0.00 H new ATOM 0 HB THR B 42 -4.579 4.443 -5.384 1.00 0.00 H new ATOM 0 HG1 THR B 42 -6.242 5.803 -6.716 1.00 0.00 H new ATOM 0 HG21 THR B 42 -7.045 4.283 -5.305 1.00 0.00 H new ATOM 0 HG22 THR B 42 -6.319 4.197 -3.683 1.00 0.00 H new ATOM 0 HG23 THR B 42 -7.092 5.702 -4.233 1.00 0.00 H new ATOM 1903 N ASN B 43 -5.789 7.131 -2.376 1.00 0.00 N ATOM 1904 CA ASN B 43 -6.607 8.191 -1.805 1.00 0.00 C ATOM 1905 C ASN B 43 -5.732 9.186 -1.048 1.00 0.00 C ATOM 1906 O ASN B 43 -6.120 10.333 -0.835 1.00 0.00 O ATOM 1907 CB ASN B 43 -7.678 7.612 -0.880 1.00 0.00 C ATOM 1908 CG ASN B 43 -8.879 8.531 -0.745 1.00 0.00 C ATOM 1909 OD1 ASN B 43 -9.231 9.257 -1.682 1.00 0.00 O ATOM 1910 ND2 ASN B 43 -9.525 8.493 0.411 1.00 0.00 N ATOM 0 H ASN B 43 -5.730 6.285 -1.810 1.00 0.00 H new ATOM 0 HA ASN B 43 -7.107 8.714 -2.620 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -8.004 6.646 -1.265 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.247 7.434 0.105 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -10.348 9.078 0.555 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -9.199 7.879 1.157 1.00 0.00 H new ATOM 1917 N ILE B 44 -4.543 8.739 -0.655 1.00 0.00 N ATOM 1918 CA ILE B 44 -3.570 9.612 -0.008 1.00 0.00 C ATOM 1919 C ILE B 44 -2.885 10.485 -1.056 1.00 0.00 C ATOM 1920 O ILE B 44 -2.693 11.686 -0.856 1.00 0.00 O ATOM 1921 CB ILE B 44 -2.498 8.803 0.763 1.00 0.00 C ATOM 1922 CG1 ILE B 44 -3.148 7.931 1.842 1.00 0.00 C ATOM 1923 CG2 ILE B 44 -1.459 9.733 1.384 1.00 0.00 C ATOM 1924 CD1 ILE B 44 -3.901 8.715 2.894 1.00 0.00 C ATOM 0 H ILE B 44 -4.230 7.775 -0.774 1.00 0.00 H new ATOM 0 HA ILE B 44 -4.107 10.234 0.708 1.00 0.00 H new ATOM 0 HB ILE B 44 -1.992 8.150 0.051 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -3.834 7.231 1.365 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -2.375 7.337 2.330 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -0.716 9.142 1.920 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -0.968 10.306 0.598 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -1.950 10.415 2.078 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -4.332 8.027 3.621 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -3.216 9.396 3.400 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -4.698 9.288 2.420 1.00 0.00 H new ATOM 1936 N ILE B 45 -2.541 9.874 -2.185 1.00 0.00 N ATOM 1937 CA ILE B 45 -1.913 10.592 -3.289 1.00 0.00 C ATOM 1938 C ILE B 45 -2.918 11.546 -3.939 1.00 0.00 C ATOM 1939 O ILE B 45 -2.548 12.513 -4.601 1.00 0.00 O ATOM 1940 CB ILE B 45 -1.353 9.608 -4.346 1.00 0.00 C ATOM 1941 CG1 ILE B 45 -0.430 8.582 -3.682 1.00 0.00 C ATOM 1942 CG2 ILE B 45 -0.599 10.358 -5.436 1.00 0.00 C ATOM 1943 CD1 ILE B 45 0.098 7.535 -4.637 1.00 0.00 C ATOM 0 H ILE B 45 -2.687 8.880 -2.360 1.00 0.00 H new ATOM 0 HA ILE B 45 -1.081 11.170 -2.887 1.00 0.00 H new ATOM 0 HB ILE B 45 -2.193 9.085 -4.803 1.00 0.00 H new ATOM 0 HG12 ILE B 45 0.412 9.104 -3.227 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -0.971 8.087 -2.876 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.214 9.647 -6.167 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.274 11.057 -5.930 1.00 0.00 H new ATOM 0 HG23 ILE B 45 0.232 10.907 -4.992 1.00 0.00 H new ATOM 0 HD11 ILE B 45 0.744 6.843 -4.097 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -0.737 6.987 -5.074 1.00 0.00 H new ATOM 0 HD13 ILE B 45 0.668 8.020 -5.430 1.00 0.00 H new ATOM 1955 N ALA B 46 -4.198 11.283 -3.718 1.00 0.00 N ATOM 1956 CA ALA B 46 -5.257 12.132 -4.246 1.00 0.00 C ATOM 1957 C ALA B 46 -5.438 13.384 -3.393 1.00 0.00 C ATOM 1958 O ALA B 46 -6.246 14.256 -3.717 1.00 0.00 O ATOM 1959 CB ALA B 46 -6.557 11.356 -4.325 1.00 0.00 C ATOM 0 H ALA B 46 -4.529 10.486 -3.175 1.00 0.00 H new ATOM 0 HA ALA B 46 -4.970 12.448 -5.249 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -7.342 12.000 -4.721 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -6.428 10.496 -4.982 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -6.837 11.013 -3.329 1.00 0.00 H new ATOM 1965 N GLN B 47 -4.692 13.460 -2.298 1.00 0.00 N ATOM 1966 CA GLN B 47 -4.745 14.615 -1.413 1.00 0.00 C ATOM 1967 C GLN B 47 -3.710 15.654 -1.826 1.00 0.00 C ATOM 1968 O GLN B 47 -3.914 16.853 -1.633 1.00 0.00 O ATOM 1969 CB GLN B 47 -4.515 14.184 0.035 1.00 0.00 C ATOM 1970 CG GLN B 47 -5.599 13.260 0.567 1.00 0.00 C ATOM 1971 CD GLN B 47 -5.269 12.676 1.926 1.00 0.00 C ATOM 1972 OE1 GLN B 47 -4.566 13.286 2.733 1.00 0.00 O ATOM 1973 NE2 GLN B 47 -5.774 11.482 2.184 1.00 0.00 N ATOM 0 H GLN B 47 -4.041 12.733 -2.002 1.00 0.00 H new ATOM 0 HA GLN B 47 -5.735 15.064 -1.491 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -3.551 13.681 0.108 1.00 0.00 H new ATOM 0 HB3 GLN B 47 -4.461 15.071 0.667 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -6.537 13.811 0.633 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -5.756 12.448 -0.143 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -6.352 11.011 1.487 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -5.586 11.031 3.080 1.00 0.00 H new ATOM 1982 N VAL B 48 -2.607 15.196 -2.406 1.00 0.00 N ATOM 1983 CA VAL B 48 -1.554 16.102 -2.843 1.00 0.00 C ATOM 1984 C VAL B 48 -1.919 16.734 -4.184 1.00 0.00 C ATOM 1985 O VAL B 48 -2.679 16.152 -4.960 1.00 0.00 O ATOM 1986 CB VAL B 48 -0.181 15.396 -2.957 1.00 0.00 C ATOM 1987 CG1 VAL B 48 0.237 14.812 -1.617 1.00 0.00 C ATOM 1988 CG2 VAL B 48 -0.198 14.316 -4.025 1.00 0.00 C ATOM 0 H VAL B 48 -2.420 14.209 -2.583 1.00 0.00 H new ATOM 0 HA VAL B 48 -1.466 16.877 -2.082 1.00 0.00 H new ATOM 0 HB VAL B 48 0.551 16.147 -3.253 1.00 0.00 H new ATOM 0 HG11 VAL B 48 1.204 14.321 -1.720 1.00 0.00 H new ATOM 0 HG12 VAL B 48 0.313 15.611 -0.880 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -0.506 14.085 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL B 48 0.782 13.841 -4.078 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -0.951 13.568 -3.774 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -0.437 14.762 -4.990 1.00 0.00 H new ATOM 1998 N PRO B 49 -1.399 17.941 -4.458 1.00 0.00 N ATOM 1999 CA PRO B 49 -1.681 18.670 -5.702 1.00 0.00 C ATOM 2000 C PRO B 49 -1.298 17.873 -6.943 1.00 0.00 C ATOM 2001 O PRO B 49 -0.332 17.110 -6.924 1.00 0.00 O ATOM 2002 CB PRO B 49 -0.808 19.924 -5.595 1.00 0.00 C ATOM 2003 CG PRO B 49 -0.533 20.082 -4.141 1.00 0.00 C ATOM 2004 CD PRO B 49 -0.497 18.695 -3.572 1.00 0.00 C ATOM 0 HA PRO B 49 -2.745 18.881 -5.809 1.00 0.00 H new ATOM 0 HB2 PRO B 49 0.117 19.810 -6.161 1.00 0.00 H new ATOM 0 HB3 PRO B 49 -1.322 20.798 -5.996 1.00 0.00 H new ATOM 0 HG2 PRO B 49 0.414 20.595 -3.977 1.00 0.00 H new ATOM 0 HG3 PRO B 49 -1.307 20.680 -3.661 1.00 0.00 H new ATOM 0 HD2 PRO B 49 0.512 18.283 -3.581 1.00 0.00 H new ATOM 0 HD3 PRO B 49 -0.840 18.676 -2.538 1.00 0.00 H new ATOM 2012 N GLU B 50 -2.036 18.079 -8.026 1.00 0.00 N ATOM 2013 CA GLU B 50 -1.796 17.364 -9.281 1.00 0.00 C ATOM 2014 C GLU B 50 -0.463 17.772 -9.908 1.00 0.00 C ATOM 2015 O GLU B 50 -0.006 17.164 -10.874 1.00 0.00 O ATOM 2016 CB GLU B 50 -2.942 17.617 -10.261 1.00 0.00 C ATOM 2017 CG GLU B 50 -4.277 17.092 -9.764 1.00 0.00 C ATOM 2018 CD GLU B 50 -5.416 17.358 -10.721 1.00 0.00 C ATOM 2019 OE1 GLU B 50 -5.672 16.511 -11.597 1.00 0.00 O ATOM 2020 OE2 GLU B 50 -6.076 18.410 -10.588 1.00 0.00 O ATOM 0 H GLU B 50 -2.812 18.740 -8.064 1.00 0.00 H new ATOM 0 HA GLU B 50 -1.748 16.298 -9.056 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -3.025 18.688 -10.445 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -2.706 17.147 -11.216 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -4.197 16.018 -9.594 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -4.505 17.551 -8.802 1.00 0.00 H new ATOM 2027 N SER B 51 0.145 18.810 -9.355 1.00 0.00 N ATOM 2028 CA SER B 51 1.474 19.236 -9.767 1.00 0.00 C ATOM 2029 C SER B 51 2.538 18.268 -9.237 1.00 0.00 C ATOM 2030 O SER B 51 3.665 18.234 -9.727 1.00 0.00 O ATOM 2031 CB SER B 51 1.737 20.660 -9.257 1.00 0.00 C ATOM 2032 OG SER B 51 3.001 21.147 -9.676 1.00 0.00 O ATOM 0 H SER B 51 -0.265 19.378 -8.613 1.00 0.00 H new ATOM 0 HA SER B 51 1.528 19.232 -10.856 1.00 0.00 H new ATOM 0 HB2 SER B 51 0.953 21.326 -9.619 1.00 0.00 H new ATOM 0 HB3 SER B 51 1.687 20.671 -8.168 1.00 0.00 H new ATOM 0 HG SER B 51 3.131 22.056 -9.333 1.00 0.00 H new ATOM 2038 N LYS B 52 2.169 17.475 -8.234 1.00 0.00 N ATOM 2039 CA LYS B 52 3.087 16.502 -7.647 1.00 0.00 C ATOM 2040 C LYS B 52 2.476 15.103 -7.667 1.00 0.00 C ATOM 2041 O LYS B 52 3.176 14.110 -7.502 1.00 0.00 O ATOM 2042 CB LYS B 52 3.414 16.887 -6.199 1.00 0.00 C ATOM 2043 CG LYS B 52 4.032 18.268 -6.049 1.00 0.00 C ATOM 2044 CD LYS B 52 4.156 18.669 -4.586 1.00 0.00 C ATOM 2045 CE LYS B 52 5.194 17.832 -3.847 1.00 0.00 C ATOM 2046 NZ LYS B 52 6.580 18.127 -4.302 1.00 0.00 N ATOM 0 H LYS B 52 1.241 17.487 -7.811 1.00 0.00 H new ATOM 0 HA LYS B 52 4.001 16.501 -8.240 1.00 0.00 H new ATOM 0 HB2 LYS B 52 2.500 16.844 -5.607 1.00 0.00 H new ATOM 0 HB3 LYS B 52 4.098 16.147 -5.783 1.00 0.00 H new ATOM 0 HG2 LYS B 52 5.017 18.279 -6.515 1.00 0.00 H new ATOM 0 HG3 LYS B 52 3.421 19.000 -6.577 1.00 0.00 H new ATOM 0 HD2 LYS B 52 4.428 19.723 -4.521 1.00 0.00 H new ATOM 0 HD3 LYS B 52 3.188 18.559 -4.097 1.00 0.00 H new ATOM 0 HE2 LYS B 52 5.116 18.022 -2.776 1.00 0.00 H new ATOM 0 HE3 LYS B 52 4.981 16.774 -3.999 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 7.260 17.653 -3.674 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 6.707 17.781 -5.274 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 6.743 19.154 -4.276 1.00 0.00 H new ATOM 2060 N ARG B 53 1.169 15.043 -7.887 1.00 0.00 N ATOM 2061 CA ARG B 53 0.402 13.807 -7.755 1.00 0.00 C ATOM 2062 C ARG B 53 0.932 12.695 -8.661 1.00 0.00 C ATOM 2063 O ARG B 53 1.113 11.558 -8.218 1.00 0.00 O ATOM 2064 CB ARG B 53 -1.072 14.084 -8.060 1.00 0.00 C ATOM 2065 CG ARG B 53 -1.993 12.914 -7.767 1.00 0.00 C ATOM 2066 CD ARG B 53 -3.450 13.317 -7.887 1.00 0.00 C ATOM 2067 NE ARG B 53 -3.803 14.371 -6.938 1.00 0.00 N ATOM 2068 CZ ARG B 53 -4.926 15.083 -6.999 1.00 0.00 C ATOM 2069 NH1 ARG B 53 -5.841 14.819 -7.924 1.00 0.00 N ATOM 2070 NH2 ARG B 53 -5.139 16.052 -6.122 1.00 0.00 N ATOM 0 H ARG B 53 0.609 15.850 -8.162 1.00 0.00 H new ATOM 0 HA ARG B 53 0.508 13.458 -6.728 1.00 0.00 H new ATOM 0 HB2 ARG B 53 -1.398 14.945 -7.476 1.00 0.00 H new ATOM 0 HB3 ARG B 53 -1.170 14.356 -9.111 1.00 0.00 H new ATOM 0 HG2 ARG B 53 -1.781 12.099 -8.459 1.00 0.00 H new ATOM 0 HG3 ARG B 53 -1.799 12.538 -6.762 1.00 0.00 H new ATOM 0 HD2 ARG B 53 -3.649 13.661 -8.902 1.00 0.00 H new ATOM 0 HD3 ARG B 53 -4.083 12.446 -7.715 1.00 0.00 H new ATOM 0 HE ARG B 53 -3.148 14.573 -6.182 1.00 0.00 H new ATOM 0 HH11 ARG B 53 -5.686 14.066 -8.594 1.00 0.00 H new ATOM 0 HH12 ARG B 53 -6.699 15.369 -7.964 1.00 0.00 H new ATOM 0 HH21 ARG B 53 -4.444 16.251 -5.403 1.00 0.00 H new ATOM 0 HH22 ARG B 53 -5.998 16.600 -6.166 1.00 0.00 H new ATOM 2084 N VAL B 54 1.202 13.025 -9.918 1.00 0.00 N ATOM 2085 CA VAL B 54 1.668 12.036 -10.881 1.00 0.00 C ATOM 2086 C VAL B 54 3.100 11.627 -10.562 1.00 0.00 C ATOM 2087 O VAL B 54 3.465 10.455 -10.666 1.00 0.00 O ATOM 2088 CB VAL B 54 1.588 12.570 -12.328 1.00 0.00 C ATOM 2089 CG1 VAL B 54 1.976 11.486 -13.324 1.00 0.00 C ATOM 2090 CG2 VAL B 54 0.192 13.093 -12.625 1.00 0.00 C ATOM 0 H VAL B 54 1.106 13.968 -10.294 1.00 0.00 H new ATOM 0 HA VAL B 54 1.014 11.167 -10.805 1.00 0.00 H new ATOM 0 HB VAL B 54 2.294 13.394 -12.429 1.00 0.00 H new ATOM 0 HG11 VAL B 54 1.913 11.883 -14.337 1.00 0.00 H new ATOM 0 HG12 VAL B 54 2.996 11.158 -13.126 1.00 0.00 H new ATOM 0 HG13 VAL B 54 1.297 10.639 -13.223 1.00 0.00 H new ATOM 0 HG21 VAL B 54 0.153 13.465 -13.649 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -0.532 12.287 -12.504 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.048 13.902 -11.935 1.00 0.00 H new ATOM 2100 N ALA B 55 3.899 12.598 -10.146 1.00 0.00 N ATOM 2101 CA ALA B 55 5.282 12.345 -9.776 1.00 0.00 C ATOM 2102 C ALA B 55 5.357 11.425 -8.561 1.00 0.00 C ATOM 2103 O ALA B 55 6.126 10.468 -8.545 1.00 0.00 O ATOM 2104 CB ALA B 55 6.000 13.658 -9.499 1.00 0.00 C ATOM 0 H ALA B 55 3.611 13.572 -10.056 1.00 0.00 H new ATOM 0 HA ALA B 55 5.777 11.846 -10.609 1.00 0.00 H new ATOM 0 HB1 ALA B 55 7.035 13.456 -9.223 1.00 0.00 H new ATOM 0 HB2 ALA B 55 5.978 14.280 -10.394 1.00 0.00 H new ATOM 0 HB3 ALA B 55 5.502 14.180 -8.682 1.00 0.00 H new ATOM 2110 N VAL B 56 4.537 11.714 -7.557 1.00 0.00 N ATOM 2111 CA VAL B 56 4.522 10.935 -6.325 1.00 0.00 C ATOM 2112 C VAL B 56 4.096 9.490 -6.580 1.00 0.00 C ATOM 2113 O VAL B 56 4.753 8.569 -6.110 1.00 0.00 O ATOM 2114 CB VAL B 56 3.595 11.567 -5.260 1.00 0.00 C ATOM 2115 CG1 VAL B 56 3.467 10.664 -4.042 1.00 0.00 C ATOM 2116 CG2 VAL B 56 4.111 12.939 -4.846 1.00 0.00 C ATOM 0 H VAL B 56 3.871 12.486 -7.573 1.00 0.00 H new ATOM 0 HA VAL B 56 5.543 10.938 -5.944 1.00 0.00 H new ATOM 0 HB VAL B 56 2.607 11.684 -5.704 1.00 0.00 H new ATOM 0 HG11 VAL B 56 2.810 11.132 -3.309 1.00 0.00 H new ATOM 0 HG12 VAL B 56 3.048 9.704 -4.343 1.00 0.00 H new ATOM 0 HG13 VAL B 56 4.451 10.508 -3.600 1.00 0.00 H new ATOM 0 HG21 VAL B 56 3.445 13.367 -4.096 1.00 0.00 H new ATOM 0 HG22 VAL B 56 5.113 12.840 -4.428 1.00 0.00 H new ATOM 0 HG23 VAL B 56 4.145 13.593 -5.717 1.00 0.00 H new ATOM 2126 N VAL B 57 3.015 9.283 -7.331 1.00 0.00 N ATOM 2127 CA VAL B 57 2.527 7.926 -7.571 1.00 0.00 C ATOM 2128 C VAL B 57 3.499 7.129 -8.443 1.00 0.00 C ATOM 2129 O VAL B 57 3.725 5.942 -8.203 1.00 0.00 O ATOM 2130 CB VAL B 57 1.110 7.903 -8.196 1.00 0.00 C ATOM 2131 CG1 VAL B 57 1.072 8.622 -9.536 1.00 0.00 C ATOM 2132 CG2 VAL B 57 0.619 6.472 -8.346 1.00 0.00 C ATOM 0 H VAL B 57 2.470 10.021 -7.776 1.00 0.00 H new ATOM 0 HA VAL B 57 2.461 7.451 -6.592 1.00 0.00 H new ATOM 0 HB VAL B 57 0.443 8.437 -7.519 1.00 0.00 H new ATOM 0 HG11 VAL B 57 0.061 8.583 -9.941 1.00 0.00 H new ATOM 0 HG12 VAL B 57 1.369 9.662 -9.399 1.00 0.00 H new ATOM 0 HG13 VAL B 57 1.759 8.137 -10.229 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -0.378 6.474 -8.787 1.00 0.00 H new ATOM 0 HG22 VAL B 57 1.301 5.919 -8.993 1.00 0.00 H new ATOM 0 HG23 VAL B 57 0.582 5.995 -7.366 1.00 0.00 H new ATOM 2142 N ASP B 58 4.090 7.785 -9.439 1.00 0.00 N ATOM 2143 CA ASP B 58 5.075 7.135 -10.302 1.00 0.00 C ATOM 2144 C ASP B 58 6.309 6.770 -9.497 1.00 0.00 C ATOM 2145 O ASP B 58 6.807 5.654 -9.578 1.00 0.00 O ATOM 2146 CB ASP B 58 5.467 8.050 -11.458 1.00 0.00 C ATOM 2147 CG ASP B 58 6.499 7.429 -12.380 1.00 0.00 C ATOM 2148 OD1 ASP B 58 6.149 6.499 -13.136 1.00 0.00 O ATOM 2149 OD2 ASP B 58 7.663 7.886 -12.366 1.00 0.00 O ATOM 0 H ASP B 58 3.906 8.762 -9.668 1.00 0.00 H new ATOM 0 HA ASP B 58 4.628 6.229 -10.711 1.00 0.00 H new ATOM 0 HB2 ASP B 58 4.576 8.300 -12.034 1.00 0.00 H new ATOM 0 HB3 ASP B 58 5.861 8.984 -11.058 1.00 0.00 H new ATOM 2154 N ASN B 59 6.781 7.716 -8.704 1.00 0.00 N ATOM 2155 CA ASN B 59 7.934 7.501 -7.841 1.00 0.00 C ATOM 2156 C ASN B 59 7.638 6.435 -6.785 1.00 0.00 C ATOM 2157 O ASN B 59 8.495 5.614 -6.468 1.00 0.00 O ATOM 2158 CB ASN B 59 8.328 8.826 -7.190 1.00 0.00 C ATOM 2159 CG ASN B 59 9.381 8.683 -6.113 1.00 0.00 C ATOM 2160 OD1 ASN B 59 10.579 8.633 -6.397 1.00 0.00 O ATOM 2161 ND2 ASN B 59 8.936 8.656 -4.866 1.00 0.00 N ATOM 0 H ASN B 59 6.379 8.651 -8.639 1.00 0.00 H new ATOM 0 HA ASN B 59 8.768 7.137 -8.441 1.00 0.00 H new ATOM 0 HB2 ASN B 59 8.697 9.504 -7.960 1.00 0.00 H new ATOM 0 HB3 ASN B 59 7.440 9.288 -6.759 1.00 0.00 H new ATOM 0 HD21 ASN B 59 9.595 8.591 -4.090 1.00 0.00 H new ATOM 0 HD22 ASN B 59 7.934 8.700 -4.681 1.00 0.00 H new ATOM 2168 N PHE B 60 6.418 6.453 -6.258 1.00 0.00 N ATOM 2169 CA PHE B 60 5.967 5.452 -5.295 1.00 0.00 C ATOM 2170 C PHE B 60 6.032 4.070 -5.913 1.00 0.00 C ATOM 2171 O PHE B 60 6.689 3.176 -5.392 1.00 0.00 O ATOM 2172 CB PHE B 60 4.526 5.740 -4.868 1.00 0.00 C ATOM 2173 CG PHE B 60 4.012 4.848 -3.771 1.00 0.00 C ATOM 2174 CD1 PHE B 60 4.405 5.038 -2.452 1.00 0.00 C ATOM 2175 CD2 PHE B 60 3.127 3.823 -4.060 1.00 0.00 C ATOM 2176 CE1 PHE B 60 3.917 4.223 -1.447 1.00 0.00 C ATOM 2177 CE2 PHE B 60 2.641 3.006 -3.059 1.00 0.00 C ATOM 2178 CZ PHE B 60 3.037 3.204 -1.753 1.00 0.00 C ATOM 0 H PHE B 60 5.716 7.158 -6.484 1.00 0.00 H new ATOM 0 HA PHE B 60 6.620 5.494 -4.423 1.00 0.00 H new ATOM 0 HB2 PHE B 60 4.458 6.777 -4.538 1.00 0.00 H new ATOM 0 HB3 PHE B 60 3.875 5.639 -5.737 1.00 0.00 H new ATOM 0 HD1 PHE B 60 5.098 5.830 -2.209 1.00 0.00 H new ATOM 0 HD2 PHE B 60 2.813 3.661 -5.081 1.00 0.00 H new ATOM 0 HE1 PHE B 60 4.224 4.383 -0.424 1.00 0.00 H new ATOM 0 HE2 PHE B 60 1.950 2.211 -3.299 1.00 0.00 H new ATOM 0 HZ PHE B 60 2.659 2.563 -0.970 1.00 0.00 H new ATOM 2188 N THR B 61 5.352 3.916 -7.039 1.00 0.00 N ATOM 2189 CA THR B 61 5.284 2.639 -7.723 1.00 0.00 C ATOM 2190 C THR B 61 6.663 2.207 -8.211 1.00 0.00 C ATOM 2191 O THR B 61 7.032 1.037 -8.102 1.00 0.00 O ATOM 2192 CB THR B 61 4.292 2.694 -8.902 1.00 0.00 C ATOM 2193 OG1 THR B 61 4.527 3.857 -9.703 1.00 0.00 O ATOM 2194 CG2 THR B 61 2.858 2.697 -8.397 1.00 0.00 C ATOM 0 H THR B 61 4.837 4.667 -7.499 1.00 0.00 H new ATOM 0 HA THR B 61 4.925 1.900 -7.007 1.00 0.00 H new ATOM 0 HB THR B 61 4.447 1.806 -9.515 1.00 0.00 H new ATOM 0 HG1 THR B 61 4.005 4.608 -9.351 1.00 0.00 H new ATOM 0 HG21 THR B 61 2.174 2.736 -9.245 1.00 0.00 H new ATOM 0 HG22 THR B 61 2.673 1.789 -7.823 1.00 0.00 H new ATOM 0 HG23 THR B 61 2.698 3.568 -7.761 1.00 0.00 H new ATOM 2202 N LYS B 62 7.420 3.162 -8.734 1.00 0.00 N ATOM 2203 CA LYS B 62 8.791 2.918 -9.161 1.00 0.00 C ATOM 2204 C LYS B 62 9.627 2.366 -8.009 1.00 0.00 C ATOM 2205 O LYS B 62 10.221 1.289 -8.117 1.00 0.00 O ATOM 2206 CB LYS B 62 9.397 4.223 -9.664 1.00 0.00 C ATOM 2207 CG LYS B 62 10.721 4.077 -10.387 1.00 0.00 C ATOM 2208 CD LYS B 62 11.243 5.439 -10.813 1.00 0.00 C ATOM 2209 CE LYS B 62 10.175 6.224 -11.563 1.00 0.00 C ATOM 2210 NZ LYS B 62 10.583 7.629 -11.828 1.00 0.00 N ATOM 0 H LYS B 62 7.104 4.122 -8.874 1.00 0.00 H new ATOM 0 HA LYS B 62 8.787 2.179 -9.962 1.00 0.00 H new ATOM 0 HB2 LYS B 62 8.684 4.702 -10.335 1.00 0.00 H new ATOM 0 HB3 LYS B 62 9.535 4.893 -8.815 1.00 0.00 H new ATOM 0 HG2 LYS B 62 11.447 3.589 -9.736 1.00 0.00 H new ATOM 0 HG3 LYS B 62 10.597 3.438 -11.261 1.00 0.00 H new ATOM 0 HD2 LYS B 62 11.563 6.001 -9.935 1.00 0.00 H new ATOM 0 HD3 LYS B 62 12.120 5.314 -11.448 1.00 0.00 H new ATOM 0 HE2 LYS B 62 9.960 5.727 -12.509 1.00 0.00 H new ATOM 0 HE3 LYS B 62 9.252 6.220 -10.984 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 9.749 8.186 -12.104 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 11.003 8.037 -10.968 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 11.282 7.648 -12.598 1.00 0.00 H new ATOM 2224 N ALA B 63 9.660 3.104 -6.904 1.00 0.00 N ATOM 2225 CA ALA B 63 10.445 2.709 -5.738 1.00 0.00 C ATOM 2226 C ALA B 63 9.926 1.411 -5.128 1.00 0.00 C ATOM 2227 O ALA B 63 10.714 0.559 -4.716 1.00 0.00 O ATOM 2228 CB ALA B 63 10.448 3.819 -4.696 1.00 0.00 C ATOM 0 H ALA B 63 9.151 3.981 -6.791 1.00 0.00 H new ATOM 0 HA ALA B 63 11.468 2.535 -6.072 1.00 0.00 H new ATOM 0 HB1 ALA B 63 11.038 3.507 -3.834 1.00 0.00 H new ATOM 0 HB2 ALA B 63 10.883 4.721 -5.126 1.00 0.00 H new ATOM 0 HB3 ALA B 63 9.425 4.025 -4.381 1.00 0.00 H new ATOM 2234 N LEU B 64 8.605 1.263 -5.092 1.00 0.00 N ATOM 2235 CA LEU B 64 7.971 0.100 -4.481 1.00 0.00 C ATOM 2236 C LEU B 64 8.373 -1.179 -5.212 1.00 0.00 C ATOM 2237 O LEU B 64 8.721 -2.173 -4.582 1.00 0.00 O ATOM 2238 CB LEU B 64 6.444 0.274 -4.477 1.00 0.00 C ATOM 2239 CG LEU B 64 5.665 -0.612 -3.493 1.00 0.00 C ATOM 2240 CD1 LEU B 64 4.317 0.009 -3.181 1.00 0.00 C ATOM 2241 CD2 LEU B 64 5.461 -2.012 -4.051 1.00 0.00 C ATOM 0 H LEU B 64 7.949 1.940 -5.482 1.00 0.00 H new ATOM 0 HA LEU B 64 8.312 0.016 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU B 64 6.218 1.316 -4.253 1.00 0.00 H new ATOM 0 HB3 LEU B 64 6.074 0.077 -5.483 1.00 0.00 H new ATOM 0 HG LEU B 64 6.253 -0.687 -2.579 1.00 0.00 H new ATOM 0 HD11 LEU B 64 3.775 -0.629 -2.483 1.00 0.00 H new ATOM 0 HD12 LEU B 64 4.464 0.993 -2.735 1.00 0.00 H new ATOM 0 HD13 LEU B 64 3.741 0.110 -4.101 1.00 0.00 H new ATOM 0 HD21 LEU B 64 4.907 -2.614 -3.331 1.00 0.00 H new ATOM 0 HD22 LEU B 64 4.900 -1.954 -4.983 1.00 0.00 H new ATOM 0 HD23 LEU B 64 6.430 -2.473 -4.239 1.00 0.00 H new ATOM 2253 N LYS B 65 8.341 -1.154 -6.541 1.00 0.00 N ATOM 2254 CA LYS B 65 8.750 -2.320 -7.316 1.00 0.00 C ATOM 2255 C LYS B 65 10.219 -2.624 -7.071 1.00 0.00 C ATOM 2256 O LYS B 65 10.616 -3.782 -6.989 1.00 0.00 O ATOM 2257 CB LYS B 65 8.503 -2.117 -8.813 1.00 0.00 C ATOM 2258 CG LYS B 65 7.042 -1.894 -9.159 1.00 0.00 C ATOM 2259 CD LYS B 65 6.788 -1.911 -10.661 1.00 0.00 C ATOM 2260 CE LYS B 65 7.520 -0.792 -11.392 1.00 0.00 C ATOM 2261 NZ LYS B 65 8.855 -1.226 -11.886 1.00 0.00 N ATOM 0 H LYS B 65 8.041 -0.353 -7.096 1.00 0.00 H new ATOM 0 HA LYS B 65 8.145 -3.165 -6.987 1.00 0.00 H new ATOM 0 HB2 LYS B 65 9.085 -1.262 -9.157 1.00 0.00 H new ATOM 0 HB3 LYS B 65 8.868 -2.989 -9.355 1.00 0.00 H new ATOM 0 HG2 LYS B 65 6.437 -2.666 -8.683 1.00 0.00 H new ATOM 0 HG3 LYS B 65 6.717 -0.937 -8.750 1.00 0.00 H new ATOM 0 HD2 LYS B 65 7.102 -2.872 -11.068 1.00 0.00 H new ATOM 0 HD3 LYS B 65 5.718 -1.821 -10.846 1.00 0.00 H new ATOM 0 HE2 LYS B 65 6.915 -0.453 -12.233 1.00 0.00 H new ATOM 0 HE3 LYS B 65 7.641 0.060 -10.722 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 9.566 -0.509 -11.639 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 9.110 -2.133 -11.445 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 8.823 -1.340 -12.919 1.00 0.00 H new ATOM 2275 N GLN B 66 11.015 -1.573 -6.925 1.00 0.00 N ATOM 2276 CA GLN B 66 12.443 -1.721 -6.687 1.00 0.00 C ATOM 2277 C GLN B 66 12.691 -2.402 -5.339 1.00 0.00 C ATOM 2278 O GLN B 66 13.505 -3.325 -5.241 1.00 0.00 O ATOM 2279 CB GLN B 66 13.125 -0.345 -6.752 1.00 0.00 C ATOM 2280 CG GLN B 66 14.646 -0.377 -6.672 1.00 0.00 C ATOM 2281 CD GLN B 66 15.176 -0.486 -5.252 1.00 0.00 C ATOM 2282 OE1 GLN B 66 16.233 -1.069 -5.017 1.00 0.00 O ATOM 2283 NE2 GLN B 66 14.456 0.087 -4.296 1.00 0.00 N ATOM 0 H GLN B 66 10.694 -0.606 -6.968 1.00 0.00 H new ATOM 0 HA GLN B 66 12.874 -2.355 -7.462 1.00 0.00 H new ATOM 0 HB2 GLN B 66 12.835 0.144 -7.682 1.00 0.00 H new ATOM 0 HB3 GLN B 66 12.746 0.271 -5.936 1.00 0.00 H new ATOM 0 HG2 GLN B 66 15.015 -1.221 -7.255 1.00 0.00 H new ATOM 0 HG3 GLN B 66 15.045 0.527 -7.132 1.00 0.00 H new ATOM 0 HE21 GLN B 66 13.584 0.562 -4.529 1.00 0.00 H new ATOM 0 HE22 GLN B 66 14.775 0.053 -3.328 1.00 0.00 H new ATOM 2292 N SER B 67 11.974 -1.962 -4.310 1.00 0.00 N ATOM 2293 CA SER B 67 12.152 -2.502 -2.971 1.00 0.00 C ATOM 2294 C SER B 67 11.593 -3.919 -2.866 1.00 0.00 C ATOM 2295 O SER B 67 12.072 -4.723 -2.068 1.00 0.00 O ATOM 2296 CB SER B 67 11.499 -1.580 -1.937 1.00 0.00 C ATOM 2297 OG SER B 67 10.190 -1.206 -2.332 1.00 0.00 O ATOM 0 H SER B 67 11.264 -1.233 -4.380 1.00 0.00 H new ATOM 0 HA SER B 67 13.221 -2.555 -2.765 1.00 0.00 H new ATOM 0 HB2 SER B 67 11.459 -2.084 -0.971 1.00 0.00 H new ATOM 0 HB3 SER B 67 12.110 -0.687 -1.806 1.00 0.00 H new ATOM 0 HG SER B 67 9.885 -1.796 -3.052 1.00 0.00 H new ATOM 2303 N VAL B 68 10.581 -4.214 -3.671 1.00 0.00 N ATOM 2304 CA VAL B 68 9.997 -5.549 -3.710 1.00 0.00 C ATOM 2305 C VAL B 68 10.903 -6.521 -4.465 1.00 0.00 C ATOM 2306 O VAL B 68 11.068 -7.674 -4.056 1.00 0.00 O ATOM 2307 CB VAL B 68 8.593 -5.533 -4.356 1.00 0.00 C ATOM 2308 CG1 VAL B 68 8.103 -6.945 -4.630 1.00 0.00 C ATOM 2309 CG2 VAL B 68 7.605 -4.803 -3.459 1.00 0.00 C ATOM 0 H VAL B 68 10.146 -3.546 -4.307 1.00 0.00 H new ATOM 0 HA VAL B 68 9.898 -5.887 -2.679 1.00 0.00 H new ATOM 0 HB VAL B 68 8.666 -5.005 -5.307 1.00 0.00 H new ATOM 0 HG11 VAL B 68 7.113 -6.905 -5.084 1.00 0.00 H new ATOM 0 HG12 VAL B 68 8.794 -7.445 -5.309 1.00 0.00 H new ATOM 0 HG13 VAL B 68 8.050 -7.500 -3.693 1.00 0.00 H new ATOM 0 HG21 VAL B 68 6.621 -4.800 -3.928 1.00 0.00 H new ATOM 0 HG22 VAL B 68 7.546 -5.309 -2.495 1.00 0.00 H new ATOM 0 HG23 VAL B 68 7.939 -3.776 -3.310 1.00 0.00 H new