USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 649 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 16 ASN :FLIP amide:sc= -1.57 F(o=-3!,f=0.5) USER MOD Set 1.2: A 58 THR OG1 : rot -82:sc= 1.45 USER MOD Set 1.3: A 79 TYR OH : rot -17:sc= 0.614 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.68 USER MOD Single : A 27 TYR OH : rot -130:sc= 0.0895 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 67:sc= 0.234 USER MOD Single : A 33 THR OG1 : rot 180:sc=-0.00909 USER MOD Single : A 35 SER OG : rot 74:sc= 0.298 USER MOD Single : A 38 GLN : amide:sc= -0.75 K(o=-0.75,f=-5!) USER MOD Single : A 39 LYS NZ :NH3+ 169:sc= -0.0112 (180deg=-0.143) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.0485 F(o=-0.73,f=-0.048) USER MOD Single : A 45 LYS NZ :NH3+ -177:sc= -0.227 (180deg=-0.264) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 143:sc= 0.484 (180deg=0.0437) USER MOD Single : A 51 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.19) USER MOD Single : A 53 CYS SG : rot 180:sc= 0.00817 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -22:sc= -0.0129 USER MOD Single : A 61 THR OG1 : rot 60:sc= 0.0905 USER MOD Single : A 64 THR OG1 : rot 131:sc= 0.257 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= 0.417 (180deg=0.0536) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N ASP A 11 -14.555 -1.075 -1.187 1.00 43.24 N ATOM 171 CA ASP A 11 -13.522 -0.638 -2.140 1.00 13.20 C ATOM 172 C ASP A 11 -12.204 -0.308 -1.417 1.00 65.01 C ATOM 173 O ASP A 11 -12.202 0.131 -0.257 1.00 32.21 O ATOM 174 CB ASP A 11 -14.014 0.613 -2.921 1.00 15.32 C ATOM 175 CG ASP A 11 -15.367 0.384 -3.613 1.00 62.54 C ATOM 176 OD1 ASP A 11 -16.414 0.444 -2.921 1.00 61.32 O ATOM 177 OD2 ASP A 11 -15.392 0.106 -4.827 1.00 65.14 O ATOM 0 HA ASP A 11 -13.339 -1.456 -2.837 1.00 13.20 H new ATOM 0 HB2 ASP A 11 -14.099 1.455 -2.234 1.00 15.32 H new ATOM 0 HB3 ASP A 11 -13.269 0.886 -3.669 1.00 15.32 H new ATOM 182 N ILE A 12 -11.099 -0.518 -2.133 1.00 61.21 N ATOM 183 CA ILE A 12 -9.741 -0.346 -1.612 1.00 52.14 C ATOM 184 C ILE A 12 -9.241 1.087 -1.905 1.00 33.54 C ATOM 185 O ILE A 12 -8.917 1.424 -3.050 1.00 43.33 O ATOM 186 CB ILE A 12 -8.776 -1.392 -2.291 1.00 12.24 C ATOM 187 CG1 ILE A 12 -9.355 -2.845 -2.209 1.00 3.22 C ATOM 188 CG2 ILE A 12 -7.353 -1.324 -1.686 1.00 42.44 C ATOM 189 CD1 ILE A 12 -8.638 -3.867 -3.088 1.00 25.30 C ATOM 0 H ILE A 12 -11.122 -0.817 -3.108 1.00 61.21 H new ATOM 0 HA ILE A 12 -9.750 -0.508 -0.534 1.00 52.14 H new ATOM 0 HB ILE A 12 -8.701 -1.126 -3.345 1.00 12.24 H new ATOM 0 HG12 ILE A 12 -9.310 -3.182 -1.173 1.00 3.22 H new ATOM 0 HG13 ILE A 12 -10.408 -2.819 -2.490 1.00 3.22 H new ATOM 0 HG21 ILE A 12 -6.714 -2.058 -2.177 1.00 42.44 H new ATOM 0 HG22 ILE A 12 -6.941 -0.326 -1.836 1.00 42.44 H new ATOM 0 HG23 ILE A 12 -7.401 -1.540 -0.619 1.00 42.44 H new ATOM 0 HD11 ILE A 12 -9.107 -4.844 -2.967 1.00 25.30 H new ATOM 0 HD12 ILE A 12 -8.705 -3.560 -4.132 1.00 25.30 H new ATOM 0 HD13 ILE A 12 -7.590 -3.928 -2.794 1.00 25.30 H new ATOM 201 N GLN A 13 -9.211 1.933 -0.869 1.00 11.12 N ATOM 202 CA GLN A 13 -8.608 3.274 -0.952 1.00 61.14 C ATOM 203 C GLN A 13 -7.093 3.173 -0.675 1.00 41.32 C ATOM 204 O GLN A 13 -6.671 2.632 0.357 1.00 4.53 O ATOM 205 CB GLN A 13 -9.282 4.248 0.054 1.00 11.21 C ATOM 206 CG GLN A 13 -8.659 5.665 0.089 1.00 44.35 C ATOM 207 CD GLN A 13 -9.286 6.588 1.141 1.00 42.31 C ATOM 208 OE1 GLN A 13 -10.469 6.473 1.457 1.00 12.40 O ATOM 209 NE2 GLN A 13 -8.496 7.506 1.686 1.00 33.43 N ATOM 0 H GLN A 13 -9.601 1.712 0.047 1.00 11.12 H new ATOM 0 HA GLN A 13 -8.765 3.671 -1.955 1.00 61.14 H new ATOM 0 HB2 GLN A 13 -10.339 4.335 -0.197 1.00 11.21 H new ATOM 0 HB3 GLN A 13 -9.226 3.815 1.053 1.00 11.21 H new ATOM 0 HG2 GLN A 13 -7.590 5.578 0.286 1.00 44.35 H new ATOM 0 HG3 GLN A 13 -8.766 6.124 -0.894 1.00 44.35 H new ATOM 0 HE21 GLN A 13 -7.519 7.573 1.400 1.00 33.43 H new ATOM 0 HE22 GLN A 13 -8.866 8.144 2.391 1.00 33.43 H new ATOM 218 N VAL A 14 -6.295 3.662 -1.634 1.00 75.52 N ATOM 219 CA VAL A 14 -4.844 3.844 -1.481 1.00 14.21 C ATOM 220 C VAL A 14 -4.595 5.291 -1.005 1.00 53.41 C ATOM 221 O VAL A 14 -5.114 6.234 -1.611 1.00 23.40 O ATOM 222 CB VAL A 14 -4.083 3.603 -2.841 1.00 11.55 C ATOM 223 CG1 VAL A 14 -2.545 3.588 -2.628 1.00 12.23 C ATOM 224 CG2 VAL A 14 -4.574 2.305 -3.537 1.00 60.10 C ATOM 0 H VAL A 14 -6.643 3.946 -2.550 1.00 75.52 H new ATOM 0 HA VAL A 14 -4.468 3.119 -0.759 1.00 14.21 H new ATOM 0 HB VAL A 14 -4.314 4.437 -3.504 1.00 11.55 H new ATOM 0 HG11 VAL A 14 -2.047 3.420 -3.583 1.00 12.23 H new ATOM 0 HG12 VAL A 14 -2.225 4.545 -2.216 1.00 12.23 H new ATOM 0 HG13 VAL A 14 -2.281 2.788 -1.936 1.00 12.23 H new ATOM 0 HG21 VAL A 14 -4.031 2.166 -4.472 1.00 60.10 H new ATOM 0 HG22 VAL A 14 -4.395 1.452 -2.883 1.00 60.10 H new ATOM 0 HG23 VAL A 14 -5.641 2.385 -3.745 1.00 60.10 H new ATOM 234 N GLN A 15 -3.837 5.452 0.082 1.00 15.21 N ATOM 235 CA GLN A 15 -3.537 6.765 0.677 1.00 54.32 C ATOM 236 C GLN A 15 -2.029 6.856 0.975 1.00 14.11 C ATOM 237 O GLN A 15 -1.490 6.043 1.732 1.00 4.23 O ATOM 238 CB GLN A 15 -4.388 6.961 1.959 1.00 24.20 C ATOM 239 CG GLN A 15 -4.168 8.301 2.691 1.00 1.03 C ATOM 240 CD GLN A 15 -5.083 8.484 3.903 1.00 1.43 C ATOM 241 OE1 GLN A 15 -5.485 7.517 4.542 1.00 44.11 O ATOM 242 NE2 GLN A 15 -5.411 9.724 4.229 1.00 15.13 N ATOM 0 H GLN A 15 -3.409 4.672 0.581 1.00 15.21 H new ATOM 0 HA GLN A 15 -3.794 7.563 -0.019 1.00 54.32 H new ATOM 0 HB2 GLN A 15 -5.442 6.879 1.693 1.00 24.20 H new ATOM 0 HB3 GLN A 15 -4.169 6.147 2.650 1.00 24.20 H new ATOM 0 HG2 GLN A 15 -3.129 8.364 3.016 1.00 1.03 H new ATOM 0 HG3 GLN A 15 -4.334 9.121 1.992 1.00 1.03 H new ATOM 0 HE21 GLN A 15 -5.060 10.506 3.677 1.00 15.13 H new ATOM 0 HE22 GLN A 15 -6.015 9.897 5.032 1.00 15.13 H new ATOM 251 N ASN A 16 -1.350 7.831 0.340 1.00 31.13 N ATOM 252 CA ASN A 16 0.101 8.063 0.501 1.00 72.25 C ATOM 253 C ASN A 16 0.346 9.486 1.002 1.00 75.30 C ATOM 254 O ASN A 16 -0.302 10.424 0.546 1.00 31.32 O ATOM 255 CB ASN A 16 0.843 7.869 -0.844 1.00 20.12 C ATOM 256 CG ASN A 16 0.715 6.462 -1.407 1.00 25.21 C ATOM 257 OD1 ASN A 16 1.715 5.641 -1.171 1.00 61.50 O flip ATOM 258 ND2 ASN A 16 -0.264 6.128 -2.076 1.00 21.30 N flip ATOM 0 H ASN A 16 -1.795 8.485 -0.304 1.00 31.13 H new ATOM 0 HA ASN A 16 0.481 7.341 1.224 1.00 72.25 H new ATOM 0 HB2 ASN A 16 0.453 8.580 -1.572 1.00 20.12 H new ATOM 0 HB3 ASN A 16 1.899 8.102 -0.705 1.00 20.12 H new ATOM 0 HD21 ASN A 16 -1.021 6.792 -2.238 1.00 21.30 H new ATOM 0 HD22 ASN A 16 -0.317 5.188 -2.467 1.00 21.30 H new ATOM 265 N ASN A 17 1.292 9.616 1.925 1.00 71.22 N ATOM 266 CA ASN A 17 1.752 10.894 2.478 1.00 61.44 C ATOM 267 C ASN A 17 3.272 10.928 2.304 1.00 53.24 C ATOM 268 O ASN A 17 3.926 9.896 2.474 1.00 21.00 O ATOM 269 CB ASN A 17 1.369 11.003 3.982 1.00 43.45 C ATOM 270 CG ASN A 17 -0.126 10.788 4.233 1.00 23.22 C ATOM 271 OD1 ASN A 17 -0.570 9.669 4.509 1.00 74.12 O ATOM 272 ND2 ASN A 17 -0.918 11.843 4.104 1.00 32.14 N ATOM 0 H ASN A 17 1.778 8.813 2.324 1.00 71.22 H new ATOM 0 HA ASN A 17 1.285 11.734 1.965 1.00 61.44 H new ATOM 0 HB2 ASN A 17 1.937 10.267 4.551 1.00 43.45 H new ATOM 0 HB3 ASN A 17 1.657 11.986 4.355 1.00 43.45 H new ATOM 0 HD21 ASN A 17 -1.925 11.744 4.233 1.00 32.14 H new ATOM 0 HD22 ASN A 17 -0.521 12.754 3.875 1.00 32.14 H new ATOM 279 N ASN A 18 3.828 12.084 1.934 1.00 42.33 N ATOM 280 CA ASN A 18 5.281 12.228 1.726 1.00 51.55 C ATOM 281 C ASN A 18 5.731 13.618 2.190 1.00 13.45 C ATOM 282 O ASN A 18 5.033 14.614 1.948 1.00 53.34 O ATOM 283 CB ASN A 18 5.653 11.974 0.228 1.00 24.15 C ATOM 284 CG ASN A 18 5.193 13.077 -0.739 1.00 31.43 C ATOM 285 OD1 ASN A 18 5.973 13.953 -1.123 1.00 20.54 O ATOM 286 ND2 ASN A 18 3.914 13.073 -1.100 1.00 62.34 N ATOM 0 H ASN A 18 3.297 12.939 1.771 1.00 42.33 H new ATOM 0 HA ASN A 18 5.806 11.480 2.320 1.00 51.55 H new ATOM 0 HB2 ASN A 18 6.735 11.867 0.149 1.00 24.15 H new ATOM 0 HB3 ASN A 18 5.215 11.027 -0.086 1.00 24.15 H new ATOM 0 HD21 ASN A 18 3.554 13.807 -1.710 1.00 62.34 H new ATOM 0 HD22 ASN A 18 3.292 12.336 -0.767 1.00 62.34 H new ATOM 293 N THR A 19 6.867 13.673 2.909 1.00 52.31 N ATOM 294 CA THR A 19 7.528 14.936 3.263 1.00 35.13 C ATOM 295 C THR A 19 8.681 15.177 2.270 1.00 5.33 C ATOM 296 O THR A 19 9.748 14.550 2.368 1.00 44.43 O ATOM 297 CB THR A 19 8.063 14.872 4.736 1.00 2.33 C ATOM 298 OG1 THR A 19 8.828 13.666 4.922 1.00 73.43 O ATOM 299 CG2 THR A 19 6.923 14.903 5.764 1.00 75.13 C ATOM 0 H THR A 19 7.349 12.845 3.258 1.00 52.31 H new ATOM 0 HA THR A 19 6.819 15.762 3.204 1.00 35.13 H new ATOM 0 HB THR A 19 8.688 15.751 4.895 1.00 2.33 H new ATOM 0 HG1 THR A 19 9.162 13.629 5.842 1.00 73.43 H new ATOM 0 HG21 THR A 19 7.339 14.857 6.770 1.00 75.13 H new ATOM 0 HG22 THR A 19 6.354 15.826 5.649 1.00 75.13 H new ATOM 0 HG23 THR A 19 6.265 14.049 5.604 1.00 75.13 H new ATOM 407 N TYR A 27 -0.153 10.957 -2.860 1.00 21.22 N ATOM 408 CA TYR A 27 -0.817 10.088 -3.845 1.00 52.34 C ATOM 409 C TYR A 27 -2.039 9.375 -3.242 1.00 54.11 C ATOM 410 O TYR A 27 -1.900 8.492 -2.400 1.00 73.34 O ATOM 411 CB TYR A 27 0.204 9.051 -4.393 1.00 71.30 C ATOM 412 CG TYR A 27 1.561 9.661 -4.799 1.00 31.11 C ATOM 413 CD1 TYR A 27 1.721 10.316 -6.025 1.00 55.32 C ATOM 414 CD2 TYR A 27 2.663 9.641 -3.924 1.00 41.22 C ATOM 415 CE1 TYR A 27 2.922 10.898 -6.368 1.00 14.35 C ATOM 416 CE2 TYR A 27 3.858 10.233 -4.267 1.00 41.22 C ATOM 417 CZ TYR A 27 3.976 10.868 -5.483 1.00 72.33 C ATOM 418 OH TYR A 27 5.166 11.451 -5.825 1.00 21.15 O ATOM 0 HA TYR A 27 -1.178 10.711 -4.663 1.00 52.34 H new ATOM 0 HB2 TYR A 27 0.373 8.287 -3.634 1.00 71.30 H new ATOM 0 HB3 TYR A 27 -0.231 8.550 -5.258 1.00 71.30 H new ATOM 0 HD1 TYR A 27 0.890 10.366 -6.713 1.00 55.32 H new ATOM 0 HD2 TYR A 27 2.570 9.152 -2.965 1.00 41.22 H new ATOM 0 HE1 TYR A 27 3.036 11.377 -7.329 1.00 14.35 H new ATOM 0 HE2 TYR A 27 4.697 10.199 -3.587 1.00 41.22 H new ATOM 0 HH TYR A 27 5.898 10.821 -5.660 1.00 21.15 H new ATOM 428 N THR A 28 -3.238 9.788 -3.664 1.00 44.04 N ATOM 429 CA THR A 28 -4.496 9.191 -3.201 1.00 4.12 C ATOM 430 C THR A 28 -5.218 8.564 -4.402 1.00 24.52 C ATOM 431 O THR A 28 -5.507 9.256 -5.386 1.00 1.11 O ATOM 432 CB THR A 28 -5.413 10.257 -2.522 1.00 73.45 C ATOM 433 OG1 THR A 28 -4.642 11.035 -1.591 1.00 31.11 O ATOM 434 CG2 THR A 28 -6.596 9.597 -1.788 1.00 20.04 C ATOM 0 H THR A 28 -3.365 10.545 -4.336 1.00 44.04 H new ATOM 0 HA THR A 28 -4.271 8.427 -2.457 1.00 4.12 H new ATOM 0 HB THR A 28 -5.816 10.902 -3.303 1.00 73.45 H new ATOM 0 HG1 THR A 28 -5.219 11.704 -1.167 1.00 31.11 H new ATOM 0 HG21 THR A 28 -7.214 10.368 -1.327 1.00 20.04 H new ATOM 0 HG22 THR A 28 -7.195 9.030 -2.500 1.00 20.04 H new ATOM 0 HG23 THR A 28 -6.217 8.926 -1.017 1.00 20.04 H new ATOM 442 N TYR A 29 -5.459 7.246 -4.330 1.00 2.12 N ATOM 443 CA TYR A 29 -6.184 6.474 -5.356 1.00 54.21 C ATOM 444 C TYR A 29 -7.369 5.752 -4.694 1.00 41.21 C ATOM 445 O TYR A 29 -7.360 5.504 -3.488 1.00 34.33 O ATOM 446 CB TYR A 29 -5.232 5.450 -6.043 1.00 1.42 C ATOM 447 CG TYR A 29 -4.024 6.099 -6.743 1.00 15.25 C ATOM 448 CD1 TYR A 29 -4.110 6.542 -8.062 1.00 33.31 C ATOM 449 CD2 TYR A 29 -2.804 6.278 -6.071 1.00 10.24 C ATOM 450 CE1 TYR A 29 -3.034 7.145 -8.686 1.00 52.51 C ATOM 451 CE2 TYR A 29 -1.726 6.878 -6.692 1.00 22.34 C ATOM 452 CZ TYR A 29 -1.842 7.307 -7.996 1.00 65.43 C ATOM 453 OH TYR A 29 -0.760 7.904 -8.617 1.00 64.22 O ATOM 0 H TYR A 29 -5.151 6.675 -3.543 1.00 2.12 H new ATOM 0 HA TYR A 29 -6.556 7.151 -6.125 1.00 54.21 H new ATOM 0 HB2 TYR A 29 -4.871 4.745 -5.295 1.00 1.42 H new ATOM 0 HB3 TYR A 29 -5.799 4.875 -6.775 1.00 1.42 H new ATOM 0 HD1 TYR A 29 -5.034 6.412 -8.606 1.00 33.31 H new ATOM 0 HD2 TYR A 29 -2.707 5.940 -5.050 1.00 10.24 H new ATOM 0 HE1 TYR A 29 -3.121 7.488 -9.706 1.00 52.51 H new ATOM 0 HE2 TYR A 29 -0.797 7.010 -6.158 1.00 22.34 H new ATOM 0 HH TYR A 29 -0.005 7.941 -7.994 1.00 64.22 H new ATOM 463 N THR A 30 -8.413 5.477 -5.479 1.00 55.42 N ATOM 464 CA THR A 30 -9.560 4.664 -5.046 1.00 13.23 C ATOM 465 C THR A 30 -9.826 3.602 -6.113 1.00 2.41 C ATOM 466 O THR A 30 -10.288 3.921 -7.207 1.00 23.32 O ATOM 467 CB THR A 30 -10.832 5.545 -4.819 1.00 24.10 C ATOM 468 OG1 THR A 30 -10.523 6.597 -3.892 1.00 34.54 O ATOM 469 CG2 THR A 30 -12.030 4.725 -4.289 1.00 13.24 C ATOM 0 H THR A 30 -8.490 5.812 -6.439 1.00 55.42 H new ATOM 0 HA THR A 30 -9.326 4.190 -4.093 1.00 13.23 H new ATOM 0 HB THR A 30 -11.122 5.959 -5.785 1.00 24.10 H new ATOM 0 HG1 THR A 30 -11.318 7.151 -3.749 1.00 34.54 H new ATOM 0 HG21 THR A 30 -12.887 5.383 -4.148 1.00 13.24 H new ATOM 0 HG22 THR A 30 -12.284 3.946 -5.008 1.00 13.24 H new ATOM 0 HG23 THR A 30 -11.764 4.267 -3.336 1.00 13.24 H new ATOM 477 N VAL A 31 -9.470 2.356 -5.801 1.00 22.41 N ATOM 478 CA VAL A 31 -9.665 1.199 -6.688 1.00 74.02 C ATOM 479 C VAL A 31 -10.733 0.274 -6.076 1.00 41.33 C ATOM 480 O VAL A 31 -10.865 0.200 -4.856 1.00 44.33 O ATOM 481 CB VAL A 31 -8.297 0.444 -6.928 1.00 50.02 C ATOM 482 CG1 VAL A 31 -7.242 1.398 -7.556 1.00 63.34 C ATOM 483 CG2 VAL A 31 -7.747 -0.200 -5.631 1.00 31.23 C ATOM 0 H VAL A 31 -9.031 2.114 -4.913 1.00 22.41 H new ATOM 0 HA VAL A 31 -10.015 1.535 -7.664 1.00 74.02 H new ATOM 0 HB VAL A 31 -8.499 -0.366 -7.629 1.00 50.02 H new ATOM 0 HG11 VAL A 31 -6.309 0.856 -7.712 1.00 63.34 H new ATOM 0 HG12 VAL A 31 -7.611 1.769 -8.512 1.00 63.34 H new ATOM 0 HG13 VAL A 31 -7.066 2.238 -6.884 1.00 63.34 H new ATOM 0 HG21 VAL A 31 -6.806 -0.707 -5.847 1.00 31.23 H new ATOM 0 HG22 VAL A 31 -7.578 0.575 -4.883 1.00 31.23 H new ATOM 0 HG23 VAL A 31 -8.469 -0.922 -5.249 1.00 31.23 H new ATOM 493 N THR A 32 -11.517 -0.400 -6.930 1.00 4.11 N ATOM 494 CA THR A 32 -12.629 -1.249 -6.475 1.00 64.34 C ATOM 495 C THR A 32 -12.147 -2.673 -6.149 1.00 54.55 C ATOM 496 O THR A 32 -12.684 -3.322 -5.251 1.00 2.22 O ATOM 497 CB THR A 32 -13.798 -1.293 -7.525 1.00 64.53 C ATOM 498 OG1 THR A 32 -14.914 -2.012 -6.977 1.00 41.51 O ATOM 499 CG2 THR A 32 -13.395 -1.933 -8.875 1.00 73.24 C ATOM 0 H THR A 32 -11.401 -0.374 -7.943 1.00 4.11 H new ATOM 0 HA THR A 32 -13.018 -0.799 -5.561 1.00 64.34 H new ATOM 0 HB THR A 32 -14.064 -0.256 -7.732 1.00 64.53 H new ATOM 0 HG1 THR A 32 -15.291 -1.508 -6.226 1.00 41.51 H new ATOM 0 HG21 THR A 32 -14.251 -1.929 -9.550 1.00 73.24 H new ATOM 0 HG22 THR A 32 -12.580 -1.362 -9.320 1.00 73.24 H new ATOM 0 HG23 THR A 32 -13.069 -2.960 -8.708 1.00 73.24 H new ATOM 507 N THR A 33 -11.113 -3.138 -6.870 1.00 61.53 N ATOM 508 CA THR A 33 -10.609 -4.520 -6.762 1.00 64.33 C ATOM 509 C THR A 33 -9.068 -4.546 -6.763 1.00 40.11 C ATOM 510 O THR A 33 -8.397 -3.527 -7.017 1.00 53.13 O ATOM 511 CB THR A 33 -11.199 -5.422 -7.905 1.00 11.10 C ATOM 512 OG1 THR A 33 -10.756 -6.782 -7.760 1.00 73.10 O ATOM 513 CG2 THR A 33 -10.827 -4.909 -9.302 1.00 4.10 C ATOM 0 H THR A 33 -10.602 -2.568 -7.544 1.00 61.53 H new ATOM 0 HA THR A 33 -10.945 -4.931 -5.810 1.00 64.33 H new ATOM 0 HB THR A 33 -12.284 -5.378 -7.809 1.00 11.10 H new ATOM 0 HG1 THR A 33 -11.135 -7.328 -8.480 1.00 73.10 H new ATOM 0 HG21 THR A 33 -11.258 -5.566 -10.058 1.00 4.10 H new ATOM 0 HG22 THR A 33 -11.216 -3.899 -9.434 1.00 4.10 H new ATOM 0 HG23 THR A 33 -9.742 -4.897 -9.408 1.00 4.10 H new ATOM 521 N GLU A 34 -8.532 -5.737 -6.468 1.00 41.42 N ATOM 522 CA GLU A 34 -7.115 -5.954 -6.167 1.00 44.02 C ATOM 523 C GLU A 34 -6.219 -5.775 -7.400 1.00 31.54 C ATOM 524 O GLU A 34 -5.091 -5.339 -7.254 1.00 71.21 O ATOM 525 CB GLU A 34 -6.916 -7.365 -5.570 1.00 64.43 C ATOM 526 CG GLU A 34 -7.911 -7.724 -4.455 1.00 53.54 C ATOM 527 CD GLU A 34 -7.694 -9.131 -3.879 1.00 61.53 C ATOM 528 OE1 GLU A 34 -7.647 -10.108 -4.654 1.00 25.32 O ATOM 529 OE2 GLU A 34 -7.577 -9.268 -2.648 1.00 60.14 O ATOM 0 H GLU A 34 -9.085 -6.594 -6.432 1.00 41.42 H new ATOM 0 HA GLU A 34 -6.818 -5.197 -5.441 1.00 44.02 H new ATOM 0 HB2 GLU A 34 -7.003 -8.101 -6.369 1.00 64.43 H new ATOM 0 HB3 GLU A 34 -5.903 -7.441 -5.175 1.00 64.43 H new ATOM 0 HG2 GLU A 34 -7.825 -6.993 -3.651 1.00 53.54 H new ATOM 0 HG3 GLU A 34 -8.926 -7.651 -4.846 1.00 53.54 H new ATOM 536 N SER A 35 -6.736 -6.119 -8.600 1.00 41.32 N ATOM 537 CA SER A 35 -5.989 -5.995 -9.873 1.00 71.33 C ATOM 538 C SER A 35 -5.618 -4.526 -10.159 1.00 31.31 C ATOM 539 O SER A 35 -4.481 -4.216 -10.539 1.00 60.14 O ATOM 540 CB SER A 35 -6.825 -6.596 -11.027 1.00 12.22 C ATOM 541 OG SER A 35 -8.144 -6.069 -11.033 1.00 44.14 O ATOM 0 H SER A 35 -7.680 -6.489 -8.714 1.00 41.32 H new ATOM 0 HA SER A 35 -5.056 -6.552 -9.789 1.00 71.33 H new ATOM 0 HB2 SER A 35 -6.341 -6.383 -11.980 1.00 12.22 H new ATOM 0 HB3 SER A 35 -6.864 -7.681 -10.925 1.00 12.22 H new ATOM 0 HG SER A 35 -8.127 -5.148 -11.368 1.00 44.14 H new ATOM 547 N GLU A 36 -6.595 -3.634 -9.936 1.00 44.00 N ATOM 548 CA GLU A 36 -6.402 -2.179 -10.039 1.00 63.05 C ATOM 549 C GLU A 36 -5.458 -1.664 -8.930 1.00 25.11 C ATOM 550 O GLU A 36 -4.740 -0.689 -9.146 1.00 0.23 O ATOM 551 CB GLU A 36 -7.778 -1.440 -10.011 1.00 21.13 C ATOM 552 CG GLU A 36 -8.463 -1.251 -11.387 1.00 34.13 C ATOM 553 CD GLU A 36 -8.567 -2.531 -12.224 1.00 11.03 C ATOM 554 OE1 GLU A 36 -9.291 -3.458 -11.821 1.00 22.23 O ATOM 555 OE2 GLU A 36 -7.902 -2.629 -13.280 1.00 2.43 O ATOM 0 H GLU A 36 -7.545 -3.902 -9.678 1.00 44.00 H new ATOM 0 HA GLU A 36 -5.926 -1.962 -10.995 1.00 63.05 H new ATOM 0 HB2 GLU A 36 -8.455 -1.994 -9.361 1.00 21.13 H new ATOM 0 HB3 GLU A 36 -7.634 -0.459 -9.559 1.00 21.13 H new ATOM 0 HG2 GLU A 36 -9.465 -0.853 -11.229 1.00 34.13 H new ATOM 0 HG3 GLU A 36 -7.909 -0.504 -11.955 1.00 34.13 H new ATOM 562 N LEU A 37 -5.477 -2.320 -7.755 1.00 12.22 N ATOM 563 CA LEU A 37 -4.538 -2.021 -6.653 1.00 43.23 C ATOM 564 C LEU A 37 -3.091 -2.367 -7.062 1.00 14.10 C ATOM 565 O LEU A 37 -2.168 -1.587 -6.792 1.00 51.44 O ATOM 566 CB LEU A 37 -4.942 -2.804 -5.371 1.00 70.32 C ATOM 567 CG LEU A 37 -3.978 -2.696 -4.144 1.00 1.32 C ATOM 568 CD1 LEU A 37 -3.863 -1.248 -3.633 1.00 61.13 C ATOM 569 CD2 LEU A 37 -4.407 -3.656 -3.016 1.00 32.53 C ATOM 0 H LEU A 37 -6.138 -3.067 -7.542 1.00 12.22 H new ATOM 0 HA LEU A 37 -4.587 -0.953 -6.439 1.00 43.23 H new ATOM 0 HB2 LEU A 37 -5.928 -2.459 -5.059 1.00 70.32 H new ATOM 0 HB3 LEU A 37 -5.041 -3.857 -5.634 1.00 70.32 H new ATOM 0 HG LEU A 37 -2.986 -2.997 -4.481 1.00 1.32 H new ATOM 0 HD11 LEU A 37 -3.185 -1.216 -2.781 1.00 61.13 H new ATOM 0 HD12 LEU A 37 -3.477 -0.611 -4.429 1.00 61.13 H new ATOM 0 HD13 LEU A 37 -4.846 -0.891 -3.328 1.00 61.13 H new ATOM 0 HD21 LEU A 37 -3.720 -3.560 -2.176 1.00 32.53 H new ATOM 0 HD22 LEU A 37 -5.416 -3.406 -2.689 1.00 32.53 H new ATOM 0 HD23 LEU A 37 -4.389 -4.682 -3.385 1.00 32.53 H new ATOM 581 N GLN A 38 -2.917 -3.523 -7.744 1.00 74.50 N ATOM 582 CA GLN A 38 -1.588 -4.059 -8.101 1.00 73.12 C ATOM 583 C GLN A 38 -0.853 -3.114 -9.053 1.00 24.11 C ATOM 584 O GLN A 38 0.316 -2.787 -8.814 1.00 72.31 O ATOM 585 CB GLN A 38 -1.684 -5.476 -8.747 1.00 72.33 C ATOM 586 CG GLN A 38 -2.338 -6.564 -7.869 1.00 33.54 C ATOM 587 CD GLN A 38 -1.799 -6.608 -6.434 1.00 31.25 C ATOM 588 OE1 GLN A 38 -0.811 -7.280 -6.156 1.00 33.31 O ATOM 589 NE2 GLN A 38 -2.453 -5.898 -5.516 1.00 63.53 N ATOM 0 H GLN A 38 -3.692 -4.106 -8.060 1.00 74.50 H new ATOM 0 HA GLN A 38 -1.025 -4.144 -7.171 1.00 73.12 H new ATOM 0 HB2 GLN A 38 -2.249 -5.395 -9.676 1.00 72.33 H new ATOM 0 HB3 GLN A 38 -0.679 -5.804 -9.013 1.00 72.33 H new ATOM 0 HG2 GLN A 38 -3.414 -6.394 -7.838 1.00 33.54 H new ATOM 0 HG3 GLN A 38 -2.182 -7.537 -8.336 1.00 33.54 H new ATOM 0 HE21 GLN A 38 -3.271 -5.350 -5.782 1.00 63.53 H new ATOM 0 HE22 GLN A 38 -2.136 -5.902 -4.547 1.00 63.53 H new ATOM 598 N LYS A 39 -1.566 -2.666 -10.117 1.00 42.42 N ATOM 599 CA LYS A 39 -0.987 -1.778 -11.142 1.00 23.13 C ATOM 600 C LYS A 39 -0.534 -0.449 -10.512 1.00 0.45 C ATOM 601 O LYS A 39 0.570 0.013 -10.802 1.00 72.54 O ATOM 602 CB LYS A 39 -1.965 -1.535 -12.333 1.00 14.34 C ATOM 603 CG LYS A 39 -3.269 -0.777 -11.989 1.00 61.40 C ATOM 604 CD LYS A 39 -4.124 -0.449 -13.232 1.00 40.01 C ATOM 605 CE LYS A 39 -5.380 0.368 -12.880 1.00 24.21 C ATOM 606 NZ LYS A 39 -5.047 1.689 -12.283 1.00 63.14 N ATOM 0 H LYS A 39 -2.543 -2.909 -10.282 1.00 42.42 H new ATOM 0 HA LYS A 39 -0.112 -2.281 -11.554 1.00 23.13 H new ATOM 0 HB2 LYS A 39 -1.436 -0.977 -13.105 1.00 14.34 H new ATOM 0 HB3 LYS A 39 -2.231 -2.501 -12.763 1.00 14.34 H new ATOM 0 HG2 LYS A 39 -3.860 -1.377 -11.297 1.00 61.40 H new ATOM 0 HG3 LYS A 39 -3.018 0.150 -11.473 1.00 61.40 H new ATOM 0 HD2 LYS A 39 -3.520 0.108 -13.948 1.00 40.01 H new ATOM 0 HD3 LYS A 39 -4.422 -1.377 -13.720 1.00 40.01 H new ATOM 0 HE2 LYS A 39 -5.976 0.519 -13.780 1.00 24.21 H new ATOM 0 HE3 LYS A 39 -5.995 -0.199 -12.181 1.00 24.21 H new ATOM 0 HZ1 LYS A 39 -5.905 2.275 -12.235 1.00 63.14 H new ATOM 0 HZ2 LYS A 39 -4.668 1.551 -11.324 1.00 63.14 H new ATOM 0 HZ3 LYS A 39 -4.335 2.166 -12.871 1.00 63.14 H new ATOM 620 N VAL A 40 -1.375 0.105 -9.591 1.00 14.03 N ATOM 621 CA VAL A 40 -1.064 1.340 -8.840 1.00 25.32 C ATOM 622 C VAL A 40 0.276 1.199 -8.128 1.00 24.52 C ATOM 623 O VAL A 40 1.147 2.021 -8.344 1.00 24.40 O ATOM 624 CB VAL A 40 -2.205 1.709 -7.799 1.00 13.21 C ATOM 625 CG1 VAL A 40 -1.763 2.818 -6.800 1.00 62.44 C ATOM 626 CG2 VAL A 40 -3.503 2.133 -8.531 1.00 61.24 C ATOM 0 H VAL A 40 -2.282 -0.297 -9.355 1.00 14.03 H new ATOM 0 HA VAL A 40 -1.006 2.155 -9.561 1.00 25.32 H new ATOM 0 HB VAL A 40 -2.402 0.808 -7.218 1.00 13.21 H new ATOM 0 HG11 VAL A 40 -2.579 3.033 -6.110 1.00 62.44 H new ATOM 0 HG12 VAL A 40 -0.894 2.476 -6.238 1.00 62.44 H new ATOM 0 HG13 VAL A 40 -1.506 3.723 -7.351 1.00 62.44 H new ATOM 0 HG21 VAL A 40 -4.270 2.381 -7.797 1.00 61.24 H new ATOM 0 HG22 VAL A 40 -3.301 3.004 -9.154 1.00 61.24 H new ATOM 0 HG23 VAL A 40 -3.852 1.312 -9.158 1.00 61.24 H new ATOM 636 N LEU A 41 0.450 0.097 -7.367 1.00 41.11 N ATOM 637 CA LEU A 41 1.638 -0.128 -6.510 1.00 55.23 C ATOM 638 C LEU A 41 2.969 -0.129 -7.306 1.00 75.12 C ATOM 639 O LEU A 41 4.014 0.202 -6.739 1.00 71.24 O ATOM 640 CB LEU A 41 1.475 -1.451 -5.708 1.00 62.04 C ATOM 641 CG LEU A 41 0.293 -1.475 -4.684 1.00 23.11 C ATOM 642 CD1 LEU A 41 0.147 -2.857 -4.015 1.00 72.50 C ATOM 643 CD2 LEU A 41 0.437 -0.348 -3.635 1.00 61.14 C ATOM 0 H LEU A 41 -0.229 -0.663 -7.328 1.00 41.11 H new ATOM 0 HA LEU A 41 1.696 0.712 -5.818 1.00 55.23 H new ATOM 0 HB2 LEU A 41 1.338 -2.269 -6.415 1.00 62.04 H new ATOM 0 HB3 LEU A 41 2.403 -1.646 -5.170 1.00 62.04 H new ATOM 0 HG LEU A 41 -0.625 -1.290 -5.241 1.00 23.11 H new ATOM 0 HD11 LEU A 41 -0.684 -2.834 -3.310 1.00 72.50 H new ATOM 0 HD12 LEU A 41 -0.044 -3.612 -4.778 1.00 72.50 H new ATOM 0 HD13 LEU A 41 1.066 -3.103 -3.484 1.00 72.50 H new ATOM 0 HD21 LEU A 41 -0.400 -0.391 -2.938 1.00 61.14 H new ATOM 0 HD22 LEU A 41 1.372 -0.476 -3.089 1.00 61.14 H new ATOM 0 HD23 LEU A 41 0.441 0.619 -4.138 1.00 61.14 H new ATOM 655 N ASN A 42 2.920 -0.482 -8.616 1.00 25.41 N ATOM 656 CA ASN A 42 4.118 -0.485 -9.493 1.00 63.34 C ATOM 657 C ASN A 42 4.578 0.955 -9.811 1.00 3.45 C ATOM 658 O ASN A 42 5.752 1.298 -9.590 1.00 43.42 O ATOM 659 CB ASN A 42 3.868 -1.268 -10.813 1.00 42.34 C ATOM 660 CG ASN A 42 3.642 -2.764 -10.588 1.00 44.12 C ATOM 661 OD1 ASN A 42 2.390 -3.197 -10.542 1.00 23.11 O flip ATOM 662 ND2 ASN A 42 4.595 -3.534 -10.472 1.00 75.11 N flip ATOM 0 H ASN A 42 2.062 -0.768 -9.088 1.00 25.41 H new ATOM 0 HA ASN A 42 4.910 -0.994 -8.944 1.00 63.34 H new ATOM 0 HB2 ASN A 42 2.999 -0.847 -11.319 1.00 42.34 H new ATOM 0 HB3 ASN A 42 4.721 -1.131 -11.477 1.00 42.34 H new ATOM 0 HD21 ASN A 42 5.549 -3.175 -10.511 1.00 75.11 H new ATOM 0 HD22 ASN A 42 4.431 -4.532 -10.337 1.00 75.11 H new ATOM 669 N GLU A 43 3.639 1.783 -10.329 1.00 45.22 N ATOM 670 CA GLU A 43 3.891 3.220 -10.631 1.00 63.42 C ATOM 671 C GLU A 43 4.203 3.990 -9.341 1.00 52.31 C ATOM 672 O GLU A 43 5.130 4.804 -9.283 1.00 64.23 O ATOM 673 CB GLU A 43 2.671 3.894 -11.338 1.00 11.42 C ATOM 674 CG GLU A 43 2.388 3.433 -12.785 1.00 53.42 C ATOM 675 CD GLU A 43 1.580 2.133 -12.863 1.00 61.31 C ATOM 676 OE1 GLU A 43 0.339 2.193 -12.735 1.00 72.52 O ATOM 677 OE2 GLU A 43 2.176 1.051 -13.047 1.00 72.41 O ATOM 0 H GLU A 43 2.690 1.480 -10.549 1.00 45.22 H new ATOM 0 HA GLU A 43 4.745 3.256 -11.307 1.00 63.42 H new ATOM 0 HB2 GLU A 43 1.780 3.708 -10.738 1.00 11.42 H new ATOM 0 HB3 GLU A 43 2.831 4.972 -11.346 1.00 11.42 H new ATOM 0 HG2 GLU A 43 1.847 4.220 -13.310 1.00 53.42 H new ATOM 0 HG3 GLU A 43 3.335 3.295 -13.306 1.00 53.42 H new ATOM 684 N LEU A 44 3.413 3.674 -8.317 1.00 24.10 N ATOM 685 CA LEU A 44 3.411 4.351 -7.020 1.00 21.41 C ATOM 686 C LEU A 44 4.753 4.168 -6.315 1.00 5.51 C ATOM 687 O LEU A 44 5.256 5.113 -5.720 1.00 31.51 O ATOM 688 CB LEU A 44 2.250 3.797 -6.157 1.00 0.32 C ATOM 689 CG LEU A 44 2.105 4.352 -4.717 1.00 43.05 C ATOM 690 CD1 LEU A 44 1.835 5.866 -4.740 1.00 64.51 C ATOM 691 CD2 LEU A 44 1.020 3.580 -3.925 1.00 63.32 C ATOM 0 H LEU A 44 2.734 2.915 -8.368 1.00 24.10 H new ATOM 0 HA LEU A 44 3.262 5.420 -7.170 1.00 21.41 H new ATOM 0 HB2 LEU A 44 1.316 3.986 -6.687 1.00 0.32 H new ATOM 0 HB3 LEU A 44 2.366 2.715 -6.091 1.00 0.32 H new ATOM 0 HG LEU A 44 3.049 4.197 -4.195 1.00 43.05 H new ATOM 0 HD11 LEU A 44 1.737 6.234 -3.719 1.00 64.51 H new ATOM 0 HD12 LEU A 44 2.664 6.376 -5.231 1.00 64.51 H new ATOM 0 HD13 LEU A 44 0.913 6.063 -5.287 1.00 64.51 H new ATOM 0 HD21 LEU A 44 0.942 3.992 -2.919 1.00 63.32 H new ATOM 0 HD22 LEU A 44 0.060 3.677 -4.433 1.00 63.32 H new ATOM 0 HD23 LEU A 44 1.294 2.527 -3.865 1.00 63.32 H new ATOM 703 N LYS A 45 5.328 2.951 -6.419 1.00 51.51 N ATOM 704 CA LYS A 45 6.653 2.621 -5.849 1.00 52.54 C ATOM 705 C LYS A 45 7.735 3.596 -6.364 1.00 32.42 C ATOM 706 O LYS A 45 8.519 4.144 -5.574 1.00 51.31 O ATOM 707 CB LYS A 45 7.021 1.159 -6.206 1.00 33.54 C ATOM 708 CG LYS A 45 8.391 0.694 -5.669 1.00 31.44 C ATOM 709 CD LYS A 45 8.725 -0.771 -6.016 1.00 15.32 C ATOM 710 CE LYS A 45 8.691 -1.051 -7.529 1.00 41.02 C ATOM 711 NZ LYS A 45 9.239 -2.386 -7.849 1.00 33.04 N ATOM 0 H LYS A 45 4.886 2.168 -6.901 1.00 51.51 H new ATOM 0 HA LYS A 45 6.605 2.723 -4.765 1.00 52.54 H new ATOM 0 HB2 LYS A 45 6.248 0.497 -5.815 1.00 33.54 H new ATOM 0 HB3 LYS A 45 7.014 1.051 -7.291 1.00 33.54 H new ATOM 0 HG2 LYS A 45 9.169 1.341 -6.074 1.00 31.44 H new ATOM 0 HG3 LYS A 45 8.407 0.815 -4.586 1.00 31.44 H new ATOM 0 HD2 LYS A 45 9.714 -1.014 -5.629 1.00 15.32 H new ATOM 0 HD3 LYS A 45 8.016 -1.429 -5.514 1.00 15.32 H new ATOM 0 HE2 LYS A 45 7.664 -0.983 -7.889 1.00 41.02 H new ATOM 0 HE3 LYS A 45 9.264 -0.287 -8.054 1.00 41.02 H new ATOM 0 HZ1 LYS A 45 9.247 -2.520 -8.880 1.00 33.04 H new ATOM 0 HZ2 LYS A 45 10.209 -2.460 -7.482 1.00 33.04 H new ATOM 0 HZ3 LYS A 45 8.646 -3.119 -7.410 1.00 33.04 H new ATOM 725 N ASP A 46 7.722 3.833 -7.693 1.00 22.44 N ATOM 726 CA ASP A 46 8.638 4.783 -8.362 1.00 44.24 C ATOM 727 C ASP A 46 8.452 6.206 -7.803 1.00 43.40 C ATOM 728 O ASP A 46 9.430 6.895 -7.519 1.00 55.31 O ATOM 729 CB ASP A 46 8.400 4.776 -9.902 1.00 4.33 C ATOM 730 CG ASP A 46 9.265 5.798 -10.673 1.00 33.32 C ATOM 731 OD1 ASP A 46 10.487 5.555 -10.844 1.00 10.21 O ATOM 732 OD2 ASP A 46 8.748 6.859 -11.095 1.00 34.33 O ATOM 0 H ASP A 46 7.076 3.371 -8.333 1.00 22.44 H new ATOM 0 HA ASP A 46 9.661 4.465 -8.163 1.00 44.24 H new ATOM 0 HB2 ASP A 46 8.605 3.777 -10.287 1.00 4.33 H new ATOM 0 HB3 ASP A 46 7.348 4.983 -10.098 1.00 4.33 H new ATOM 737 N TYR A 47 7.174 6.605 -7.622 1.00 22.24 N ATOM 738 CA TYR A 47 6.791 7.945 -7.126 1.00 14.31 C ATOM 739 C TYR A 47 7.156 8.153 -5.639 1.00 41.01 C ATOM 740 O TYR A 47 7.467 9.276 -5.236 1.00 51.41 O ATOM 741 CB TYR A 47 5.271 8.167 -7.309 1.00 54.45 C ATOM 742 CG TYR A 47 4.765 8.179 -8.753 1.00 22.02 C ATOM 743 CD1 TYR A 47 5.489 8.805 -9.770 1.00 63.23 C ATOM 744 CD2 TYR A 47 3.549 7.581 -9.095 1.00 54.33 C ATOM 745 CE1 TYR A 47 5.019 8.830 -11.071 1.00 21.20 C ATOM 746 CE2 TYR A 47 3.081 7.605 -10.385 1.00 34.01 C ATOM 747 CZ TYR A 47 3.816 8.228 -11.372 1.00 25.23 C ATOM 748 OH TYR A 47 3.337 8.252 -12.667 1.00 31.42 O ATOM 0 H TYR A 47 6.374 6.003 -7.817 1.00 22.24 H new ATOM 0 HA TYR A 47 7.354 8.670 -7.714 1.00 14.31 H new ATOM 0 HB2 TYR A 47 4.741 7.384 -6.766 1.00 54.45 H new ATOM 0 HB3 TYR A 47 5.004 9.115 -6.843 1.00 54.45 H new ATOM 0 HD1 TYR A 47 6.432 9.278 -9.537 1.00 63.23 H new ATOM 0 HD2 TYR A 47 2.966 7.090 -8.329 1.00 54.33 H new ATOM 0 HE1 TYR A 47 5.591 9.318 -11.846 1.00 21.20 H new ATOM 0 HE2 TYR A 47 2.138 7.137 -10.627 1.00 34.01 H new ATOM 0 HH TYR A 47 2.478 7.782 -12.707 1.00 31.42 H new ATOM 758 N ILE A 48 7.084 7.073 -4.837 1.00 71.14 N ATOM 759 CA ILE A 48 7.388 7.108 -3.388 1.00 33.30 C ATOM 760 C ILE A 48 8.896 7.259 -3.178 1.00 61.42 C ATOM 761 O ILE A 48 9.333 7.939 -2.256 1.00 14.02 O ATOM 762 CB ILE A 48 6.867 5.808 -2.648 1.00 11.33 C ATOM 763 CG1 ILE A 48 5.305 5.738 -2.663 1.00 14.25 C ATOM 764 CG2 ILE A 48 7.396 5.702 -1.189 1.00 72.42 C ATOM 765 CD1 ILE A 48 4.727 4.438 -2.110 1.00 65.34 C ATOM 0 H ILE A 48 6.813 6.149 -5.174 1.00 71.14 H new ATOM 0 HA ILE A 48 6.869 7.965 -2.958 1.00 33.30 H new ATOM 0 HB ILE A 48 7.264 4.957 -3.202 1.00 11.33 H new ATOM 0 HG12 ILE A 48 4.910 6.572 -2.083 1.00 14.25 H new ATOM 0 HG13 ILE A 48 4.957 5.869 -3.688 1.00 14.25 H new ATOM 0 HG21 ILE A 48 7.009 4.794 -0.727 1.00 72.42 H new ATOM 0 HG22 ILE A 48 8.485 5.669 -1.198 1.00 72.42 H new ATOM 0 HG23 ILE A 48 7.064 6.569 -0.618 1.00 72.42 H new ATOM 0 HD11 ILE A 48 3.639 4.474 -2.158 1.00 65.34 H new ATOM 0 HD12 ILE A 48 5.088 3.598 -2.703 1.00 65.34 H new ATOM 0 HD13 ILE A 48 5.041 4.312 -1.074 1.00 65.34 H new ATOM 777 N LYS A 49 9.676 6.601 -4.048 1.00 41.35 N ATOM 778 CA LYS A 49 11.144 6.660 -4.014 1.00 51.32 C ATOM 779 C LYS A 49 11.634 8.047 -4.476 1.00 31.41 C ATOM 780 O LYS A 49 12.445 8.699 -3.804 1.00 60.55 O ATOM 781 CB LYS A 49 11.725 5.558 -4.927 1.00 15.11 C ATOM 782 CG LYS A 49 13.257 5.444 -4.897 1.00 53.20 C ATOM 783 CD LYS A 49 13.780 4.245 -5.717 1.00 41.34 C ATOM 784 CE LYS A 49 15.308 4.154 -5.690 1.00 30.11 C ATOM 785 NZ LYS A 49 15.804 3.000 -6.468 1.00 14.34 N ATOM 0 H LYS A 49 9.306 6.013 -4.795 1.00 41.35 H new ATOM 0 HA LYS A 49 11.485 6.497 -2.992 1.00 51.32 H new ATOM 0 HB2 LYS A 49 11.297 4.599 -4.635 1.00 15.11 H new ATOM 0 HB3 LYS A 49 11.408 5.749 -5.952 1.00 15.11 H new ATOM 0 HG2 LYS A 49 13.694 6.364 -5.286 1.00 53.20 H new ATOM 0 HG3 LYS A 49 13.590 5.346 -3.864 1.00 53.20 H new ATOM 0 HD2 LYS A 49 13.355 3.322 -5.322 1.00 41.34 H new ATOM 0 HD3 LYS A 49 13.440 4.336 -6.749 1.00 41.34 H new ATOM 0 HE2 LYS A 49 15.734 5.073 -6.092 1.00 30.11 H new ATOM 0 HE3 LYS A 49 15.649 4.070 -4.658 1.00 30.11 H new ATOM 0 HZ1 LYS A 49 16.843 2.973 -6.425 1.00 14.34 H new ATOM 0 HZ2 LYS A 49 15.418 2.121 -6.069 1.00 14.34 H new ATOM 0 HZ3 LYS A 49 15.501 3.093 -7.458 1.00 14.34 H new ATOM 799 N LYS A 50 11.085 8.480 -5.619 1.00 30.13 N ATOM 800 CA LYS A 50 11.467 9.722 -6.310 1.00 62.34 C ATOM 801 C LYS A 50 11.064 10.958 -5.480 1.00 32.15 C ATOM 802 O LYS A 50 11.779 11.962 -5.452 1.00 41.34 O ATOM 803 CB LYS A 50 10.807 9.720 -7.708 1.00 71.05 C ATOM 804 CG LYS A 50 11.265 10.832 -8.683 1.00 60.00 C ATOM 805 CD LYS A 50 10.803 10.556 -10.142 1.00 33.21 C ATOM 806 CE LYS A 50 11.418 9.257 -10.726 1.00 13.55 C ATOM 807 NZ LYS A 50 10.816 8.883 -12.024 1.00 41.33 N ATOM 0 H LYS A 50 10.347 7.966 -6.100 1.00 30.13 H new ATOM 0 HA LYS A 50 12.549 9.772 -6.428 1.00 62.34 H new ATOM 0 HB2 LYS A 50 10.999 8.754 -8.176 1.00 71.05 H new ATOM 0 HB3 LYS A 50 9.728 9.802 -7.577 1.00 71.05 H new ATOM 0 HG2 LYS A 50 10.866 11.791 -8.352 1.00 60.00 H new ATOM 0 HG3 LYS A 50 12.352 10.912 -8.656 1.00 60.00 H new ATOM 0 HD2 LYS A 50 9.716 10.482 -10.167 1.00 33.21 H new ATOM 0 HD3 LYS A 50 11.080 11.401 -10.773 1.00 33.21 H new ATOM 0 HE2 LYS A 50 12.492 9.391 -10.852 1.00 13.55 H new ATOM 0 HE3 LYS A 50 11.280 8.442 -10.016 1.00 13.55 H new ATOM 0 HZ1 LYS A 50 11.550 8.488 -12.646 1.00 41.33 H new ATOM 0 HZ2 LYS A 50 10.073 8.172 -11.870 1.00 41.33 H new ATOM 0 HZ3 LYS A 50 10.402 9.726 -12.470 1.00 41.33 H new ATOM 821 N GLN A 51 9.909 10.858 -4.803 1.00 53.13 N ATOM 822 CA GLN A 51 9.454 11.834 -3.787 1.00 42.22 C ATOM 823 C GLN A 51 9.541 11.185 -2.396 1.00 31.24 C ATOM 824 O GLN A 51 8.589 11.207 -1.605 1.00 44.55 O ATOM 825 CB GLN A 51 8.010 12.342 -4.100 1.00 60.04 C ATOM 826 CG GLN A 51 7.885 13.188 -5.385 1.00 64.13 C ATOM 827 CD GLN A 51 8.844 14.380 -5.409 1.00 13.22 C ATOM 828 OE1 GLN A 51 8.545 15.444 -4.864 1.00 22.14 O ATOM 829 NE2 GLN A 51 9.992 14.223 -6.053 1.00 45.03 N ATOM 0 H GLN A 51 9.253 10.089 -4.944 1.00 53.13 H new ATOM 0 HA GLN A 51 10.103 12.710 -3.808 1.00 42.22 H new ATOM 0 HB2 GLN A 51 7.347 11.481 -4.183 1.00 60.04 H new ATOM 0 HB3 GLN A 51 7.658 12.935 -3.256 1.00 60.04 H new ATOM 0 HG2 GLN A 51 8.079 12.555 -6.251 1.00 64.13 H new ATOM 0 HG3 GLN A 51 6.861 13.550 -5.477 1.00 64.13 H new ATOM 0 HE21 GLN A 51 10.211 13.330 -6.494 1.00 45.03 H new ATOM 0 HE22 GLN A 51 10.656 14.995 -6.107 1.00 45.03 H new ATOM 838 N GLY A 52 10.708 10.587 -2.120 1.00 14.41 N ATOM 839 CA GLY A 52 11.033 10.024 -0.808 1.00 72.12 C ATOM 840 C GLY A 52 12.315 10.615 -0.279 1.00 62.14 C ATOM 841 O GLY A 52 13.286 9.893 -0.021 1.00 64.45 O ATOM 0 H GLY A 52 11.455 10.481 -2.806 1.00 14.41 H new ATOM 0 HA2 GLY A 52 10.220 10.222 -0.110 1.00 72.12 H new ATOM 0 HA3 GLY A 52 11.130 8.941 -0.885 1.00 72.12 H new ATOM 845 N CYS A 53 12.330 11.956 -0.176 1.00 61.21 N ATOM 846 CA CYS A 53 13.447 12.723 0.406 1.00 74.23 C ATOM 847 C CYS A 53 13.664 12.323 1.879 1.00 20.23 C ATOM 848 O CYS A 53 14.790 12.349 2.391 1.00 54.14 O ATOM 849 CB CYS A 53 13.156 14.234 0.303 1.00 71.51 C ATOM 850 SG CYS A 53 12.797 14.808 -1.371 1.00 75.52 S ATOM 0 H CYS A 53 11.560 12.543 -0.497 1.00 61.21 H new ATOM 0 HA CYS A 53 14.356 12.497 -0.152 1.00 74.23 H new ATOM 0 HB2 CYS A 53 12.309 14.474 0.946 1.00 71.51 H new ATOM 0 HB3 CYS A 53 14.015 14.785 0.687 1.00 71.51 H new ATOM 0 HG CYS A 53 12.565 16.087 -1.351 1.00 75.52 H new ATOM 856 N LYS A 54 12.547 11.986 2.544 1.00 14.40 N ATOM 857 CA LYS A 54 12.512 11.424 3.904 1.00 1.11 C ATOM 858 C LYS A 54 11.722 10.090 3.852 1.00 61.12 C ATOM 859 O LYS A 54 11.749 9.399 2.824 1.00 14.53 O ATOM 860 CB LYS A 54 11.879 12.465 4.871 1.00 52.31 C ATOM 861 CG LYS A 54 12.684 13.777 4.997 1.00 71.21 C ATOM 862 CD LYS A 54 12.018 14.819 5.922 1.00 71.02 C ATOM 863 CE LYS A 54 12.869 16.090 6.076 1.00 14.11 C ATOM 864 NZ LYS A 54 12.246 17.064 6.997 1.00 32.01 N ATOM 0 H LYS A 54 11.618 12.100 2.139 1.00 14.40 H new ATOM 0 HA LYS A 54 13.512 11.210 4.280 1.00 1.11 H new ATOM 0 HB2 LYS A 54 10.872 12.700 4.526 1.00 52.31 H new ATOM 0 HB3 LYS A 54 11.781 12.015 5.859 1.00 52.31 H new ATOM 0 HG2 LYS A 54 13.680 13.549 5.377 1.00 71.21 H new ATOM 0 HG3 LYS A 54 12.813 14.212 4.006 1.00 71.21 H new ATOM 0 HD2 LYS A 54 11.040 15.085 5.521 1.00 71.02 H new ATOM 0 HD3 LYS A 54 11.850 14.376 6.903 1.00 71.02 H new ATOM 0 HE2 LYS A 54 13.858 15.822 6.447 1.00 14.11 H new ATOM 0 HE3 LYS A 54 13.010 16.553 5.099 1.00 14.11 H new ATOM 0 HZ1 LYS A 54 12.851 17.906 7.073 1.00 32.01 H new ATOM 0 HZ2 LYS A 54 11.313 17.340 6.631 1.00 32.01 H new ATOM 0 HZ3 LYS A 54 12.135 16.632 7.936 1.00 32.01 H new ATOM 878 N ARG A 55 11.023 9.729 4.946 1.00 1.23 N ATOM 879 CA ARG A 55 10.260 8.474 5.024 1.00 44.52 C ATOM 880 C ARG A 55 8.792 8.752 4.666 1.00 74.51 C ATOM 881 O ARG A 55 8.137 9.587 5.307 1.00 73.30 O ATOM 882 CB ARG A 55 10.377 7.889 6.451 1.00 52.54 C ATOM 883 CG ARG A 55 9.768 6.479 6.623 1.00 34.20 C ATOM 884 CD ARG A 55 9.940 5.940 8.052 1.00 70.51 C ATOM 885 NE ARG A 55 9.186 6.746 9.040 1.00 31.24 N ATOM 886 CZ ARG A 55 9.492 6.891 10.340 1.00 41.44 C ATOM 887 NH1 ARG A 55 10.559 6.298 10.861 1.00 3.22 N ATOM 888 NH2 ARG A 55 8.698 7.601 11.124 1.00 74.45 N ATOM 0 H ARG A 55 10.973 10.296 5.792 1.00 1.23 H new ATOM 0 HA ARG A 55 10.660 7.746 4.318 1.00 44.52 H new ATOM 0 HB2 ARG A 55 11.430 7.851 6.728 1.00 52.54 H new ATOM 0 HB3 ARG A 55 9.888 8.569 7.149 1.00 52.54 H new ATOM 0 HG2 ARG A 55 8.707 6.511 6.374 1.00 34.20 H new ATOM 0 HG3 ARG A 55 10.240 5.793 5.919 1.00 34.20 H new ATOM 0 HD2 ARG A 55 9.601 4.905 8.093 1.00 70.51 H new ATOM 0 HD3 ARG A 55 10.998 5.939 8.315 1.00 70.51 H new ATOM 0 HE ARG A 55 8.358 7.236 8.702 1.00 31.24 H new ATOM 0 HH11 ARG A 55 11.161 5.722 10.272 1.00 3.22 H new ATOM 0 HH12 ARG A 55 10.777 6.418 11.850 1.00 3.22 H new ATOM 0 HH21 ARG A 55 7.858 8.035 10.741 1.00 74.45 H new ATOM 0 HH22 ARG A 55 8.925 7.714 12.112 1.00 74.45 H new ATOM 902 N SER A 56 8.299 8.052 3.634 1.00 42.23 N ATOM 903 CA SER A 56 6.917 8.188 3.154 1.00 60.32 C ATOM 904 C SER A 56 6.001 7.169 3.867 1.00 3.05 C ATOM 905 O SER A 56 6.456 6.099 4.306 1.00 1.12 O ATOM 906 CB SER A 56 6.873 8.002 1.623 1.00 51.51 C ATOM 907 OG SER A 56 7.729 8.928 0.966 1.00 31.45 O ATOM 0 H SER A 56 8.850 7.374 3.108 1.00 42.23 H new ATOM 0 HA SER A 56 6.552 9.188 3.388 1.00 60.32 H new ATOM 0 HB2 SER A 56 7.171 6.985 1.369 1.00 51.51 H new ATOM 0 HB3 SER A 56 5.851 8.133 1.268 1.00 51.51 H new ATOM 0 HG SER A 56 7.682 8.786 -0.003 1.00 31.45 H new ATOM 913 N ARG A 57 4.720 7.534 3.978 1.00 60.44 N ATOM 914 CA ARG A 57 3.685 6.755 4.664 1.00 3.20 C ATOM 915 C ARG A 57 2.654 6.256 3.641 1.00 23.23 C ATOM 916 O ARG A 57 1.922 7.057 3.070 1.00 24.31 O ATOM 917 CB ARG A 57 3.003 7.671 5.713 1.00 12.44 C ATOM 918 CG ARG A 57 1.972 6.969 6.621 1.00 43.34 C ATOM 919 CD ARG A 57 1.462 7.893 7.747 1.00 52.14 C ATOM 920 NE ARG A 57 0.726 7.145 8.778 1.00 41.21 N ATOM 921 CZ ARG A 57 1.273 6.613 9.892 1.00 12.13 C ATOM 922 NH1 ARG A 57 2.567 6.733 10.145 1.00 73.45 N ATOM 923 NH2 ARG A 57 0.510 5.929 10.725 1.00 72.24 N ATOM 0 H ARG A 57 4.365 8.404 3.582 1.00 60.44 H new ATOM 0 HA ARG A 57 4.125 5.890 5.161 1.00 3.20 H new ATOM 0 HB2 ARG A 57 3.775 8.115 6.341 1.00 12.44 H new ATOM 0 HB3 ARG A 57 2.507 8.489 5.191 1.00 12.44 H new ATOM 0 HG2 ARG A 57 1.128 6.634 6.018 1.00 43.34 H new ATOM 0 HG3 ARG A 57 2.423 6.079 7.060 1.00 43.34 H new ATOM 0 HD2 ARG A 57 2.307 8.408 8.205 1.00 52.14 H new ATOM 0 HD3 ARG A 57 0.814 8.660 7.322 1.00 52.14 H new ATOM 0 HE ARG A 57 -0.277 7.018 8.640 1.00 41.21 H new ATOM 0 HH11 ARG A 57 3.170 7.235 9.493 1.00 73.45 H new ATOM 0 HH12 ARG A 57 2.961 6.324 10.992 1.00 73.45 H new ATOM 0 HH21 ARG A 57 -0.482 5.807 10.524 1.00 72.24 H new ATOM 0 HH22 ARG A 57 0.913 5.523 11.569 1.00 72.24 H new ATOM 937 N THR A 58 2.621 4.939 3.392 1.00 74.23 N ATOM 938 CA THR A 58 1.613 4.328 2.504 1.00 22.32 C ATOM 939 C THR A 58 0.629 3.499 3.338 1.00 23.32 C ATOM 940 O THR A 58 1.036 2.818 4.285 1.00 64.11 O ATOM 941 CB THR A 58 2.272 3.434 1.411 1.00 60.22 C ATOM 942 OG1 THR A 58 3.270 4.200 0.720 1.00 1.25 O ATOM 943 CG2 THR A 58 1.239 2.898 0.390 1.00 5.12 C ATOM 0 H THR A 58 3.281 4.272 3.793 1.00 74.23 H new ATOM 0 HA THR A 58 1.081 5.131 1.995 1.00 22.32 H new ATOM 0 HB THR A 58 2.719 2.573 1.908 1.00 60.22 H new ATOM 0 HG1 THR A 58 2.842 4.747 0.028 1.00 1.25 H new ATOM 0 HG21 THR A 58 1.747 2.281 -0.351 1.00 5.12 H new ATOM 0 HG22 THR A 58 0.491 2.300 0.910 1.00 5.12 H new ATOM 0 HG23 THR A 58 0.751 3.736 -0.108 1.00 5.12 H new ATOM 951 N SER A 59 -0.660 3.568 2.974 1.00 1.14 N ATOM 952 CA SER A 59 -1.734 2.875 3.681 1.00 22.11 C ATOM 953 C SER A 59 -2.801 2.389 2.670 1.00 22.14 C ATOM 954 O SER A 59 -3.337 3.177 1.886 1.00 3.52 O ATOM 955 CB SER A 59 -2.324 3.817 4.764 1.00 21.45 C ATOM 956 OG SER A 59 -2.775 5.044 4.223 1.00 53.33 O ATOM 0 H SER A 59 -0.983 4.112 2.174 1.00 1.14 H new ATOM 0 HA SER A 59 -1.349 1.990 4.187 1.00 22.11 H new ATOM 0 HB2 SER A 59 -3.153 3.317 5.264 1.00 21.45 H new ATOM 0 HB3 SER A 59 -1.566 4.014 5.522 1.00 21.45 H new ATOM 0 HG SER A 59 -2.324 5.211 3.369 1.00 53.33 H new ATOM 962 N ILE A 60 -3.063 1.071 2.684 1.00 34.42 N ATOM 963 CA ILE A 60 -4.040 0.398 1.799 1.00 42.42 C ATOM 964 C ILE A 60 -5.239 -0.065 2.642 1.00 31.34 C ATOM 965 O ILE A 60 -5.036 -0.657 3.703 1.00 63.51 O ATOM 966 CB ILE A 60 -3.376 -0.851 1.093 1.00 31.31 C ATOM 967 CG1 ILE A 60 -2.207 -0.408 0.152 1.00 25.43 C ATOM 968 CG2 ILE A 60 -4.416 -1.706 0.325 1.00 73.21 C ATOM 969 CD1 ILE A 60 -1.453 -1.561 -0.509 1.00 4.11 C ATOM 0 H ILE A 60 -2.594 0.428 3.322 1.00 34.42 H new ATOM 0 HA ILE A 60 -4.370 1.097 1.030 1.00 42.42 H new ATOM 0 HB ILE A 60 -2.960 -1.481 1.879 1.00 31.31 H new ATOM 0 HG12 ILE A 60 -2.610 0.239 -0.627 1.00 25.43 H new ATOM 0 HG13 ILE A 60 -1.500 0.189 0.728 1.00 25.43 H new ATOM 0 HG21 ILE A 60 -3.915 -2.553 -0.144 1.00 73.21 H new ATOM 0 HG22 ILE A 60 -5.172 -2.071 1.020 1.00 73.21 H new ATOM 0 HG23 ILE A 60 -4.893 -1.096 -0.442 1.00 73.21 H new ATOM 0 HD11 ILE A 60 -0.661 -1.162 -1.143 1.00 4.11 H new ATOM 0 HD12 ILE A 60 -1.016 -2.198 0.260 1.00 4.11 H new ATOM 0 HD13 ILE A 60 -2.143 -2.146 -1.116 1.00 4.11 H new ATOM 981 N THR A 61 -6.475 0.204 2.173 1.00 63.23 N ATOM 982 CA THR A 61 -7.709 -0.218 2.874 1.00 63.45 C ATOM 983 C THR A 61 -7.756 -1.752 3.028 1.00 21.34 C ATOM 984 O THR A 61 -7.764 -2.488 2.032 1.00 34.42 O ATOM 985 CB THR A 61 -8.978 0.287 2.127 1.00 12.42 C ATOM 986 OG1 THR A 61 -8.994 1.724 2.129 1.00 3.02 O ATOM 987 CG2 THR A 61 -10.298 -0.241 2.739 1.00 13.41 C ATOM 0 H THR A 61 -6.647 0.714 1.307 1.00 63.23 H new ATOM 0 HA THR A 61 -7.695 0.230 3.867 1.00 63.45 H new ATOM 0 HB THR A 61 -8.921 -0.101 1.110 1.00 12.42 H new ATOM 0 HG1 THR A 61 -8.191 2.061 1.680 1.00 3.02 H new ATOM 0 HG21 THR A 61 -11.143 0.148 2.172 1.00 13.41 H new ATOM 0 HG22 THR A 61 -10.306 -1.330 2.701 1.00 13.41 H new ATOM 0 HG23 THR A 61 -10.375 0.087 3.776 1.00 13.41 H new ATOM 995 N ALA A 62 -7.782 -2.200 4.294 1.00 22.32 N ATOM 996 CA ALA A 62 -7.747 -3.610 4.667 1.00 65.04 C ATOM 997 C ALA A 62 -8.197 -3.740 6.129 1.00 23.43 C ATOM 998 O ALA A 62 -7.420 -3.493 7.052 1.00 62.42 O ATOM 999 CB ALA A 62 -6.341 -4.189 4.467 1.00 42.04 C ATOM 0 H ALA A 62 -7.829 -1.574 5.098 1.00 22.32 H new ATOM 0 HA ALA A 62 -8.423 -4.179 4.029 1.00 65.04 H new ATOM 0 HB1 ALA A 62 -6.337 -5.241 4.751 1.00 42.04 H new ATOM 0 HB2 ALA A 62 -6.054 -4.095 3.420 1.00 42.04 H new ATOM 0 HB3 ALA A 62 -5.631 -3.643 5.088 1.00 42.04 H new ATOM 1005 N ARG A 63 -9.482 -4.050 6.304 1.00 71.01 N ATOM 1006 CA ARG A 63 -10.142 -4.185 7.624 1.00 73.15 C ATOM 1007 C ARG A 63 -10.414 -5.657 7.921 1.00 64.20 C ATOM 1008 O ARG A 63 -10.281 -6.113 9.062 1.00 20.40 O ATOM 1009 CB ARG A 63 -11.457 -3.346 7.637 1.00 13.42 C ATOM 1010 CG ARG A 63 -12.301 -3.463 6.343 1.00 11.04 C ATOM 1011 CD ARG A 63 -13.477 -2.465 6.286 1.00 60.41 C ATOM 1012 NE ARG A 63 -13.844 -2.175 4.888 1.00 34.21 N ATOM 1013 CZ ARG A 63 -13.593 -1.011 4.253 1.00 52.31 C ATOM 1014 NH1 ARG A 63 -13.005 -0.004 4.874 1.00 25.22 N ATOM 1015 NH2 ARG A 63 -13.852 -0.894 2.968 1.00 2.43 N ATOM 0 H ARG A 63 -10.115 -4.220 5.522 1.00 71.01 H new ATOM 0 HA ARG A 63 -9.487 -3.803 8.407 1.00 73.15 H new ATOM 0 HB2 ARG A 63 -12.067 -3.661 8.484 1.00 13.42 H new ATOM 0 HB3 ARG A 63 -11.204 -2.298 7.798 1.00 13.42 H new ATOM 0 HG2 ARG A 63 -11.655 -3.301 5.480 1.00 11.04 H new ATOM 0 HG3 ARG A 63 -12.691 -4.478 6.263 1.00 11.04 H new ATOM 0 HD2 ARG A 63 -14.336 -2.877 6.815 1.00 60.41 H new ATOM 0 HD3 ARG A 63 -13.202 -1.541 6.795 1.00 60.41 H new ATOM 0 HE ARG A 63 -14.322 -2.907 4.363 1.00 34.21 H new ATOM 0 HH11 ARG A 63 -12.731 -0.098 5.852 1.00 25.22 H new ATOM 0 HH12 ARG A 63 -12.825 0.867 4.375 1.00 25.22 H new ATOM 0 HH21 ARG A 63 -14.242 -1.683 2.453 1.00 2.43 H new ATOM 0 HH22 ARG A 63 -13.662 -0.014 2.488 1.00 2.43 H new ATOM 1029 N THR A 64 -10.809 -6.385 6.869 1.00 43.33 N ATOM 1030 CA THR A 64 -10.955 -7.838 6.890 1.00 2.04 C ATOM 1031 C THR A 64 -9.562 -8.488 6.937 1.00 1.42 C ATOM 1032 O THR A 64 -8.614 -7.983 6.327 1.00 41.50 O ATOM 1033 CB THR A 64 -11.780 -8.313 5.648 1.00 74.51 C ATOM 1034 OG1 THR A 64 -11.365 -7.582 4.482 1.00 2.04 O ATOM 1035 CG2 THR A 64 -13.294 -8.121 5.845 1.00 63.33 C ATOM 0 H THR A 64 -11.039 -5.970 5.966 1.00 43.33 H new ATOM 0 HA THR A 64 -11.503 -8.146 7.780 1.00 2.04 H new ATOM 0 HB THR A 64 -11.589 -9.379 5.522 1.00 74.51 H new ATOM 0 HG1 THR A 64 -11.190 -8.208 3.749 1.00 2.04 H new ATOM 0 HG21 THR A 64 -13.823 -8.465 4.956 1.00 63.33 H new ATOM 0 HG22 THR A 64 -13.624 -8.697 6.710 1.00 63.33 H new ATOM 0 HG23 THR A 64 -13.509 -7.065 6.009 1.00 63.33 H new ATOM 1043 N LYS A 65 -9.467 -9.606 7.670 1.00 35.33 N ATOM 1044 CA LYS A 65 -8.192 -10.196 8.114 1.00 42.32 C ATOM 1045 C LYS A 65 -7.323 -10.707 6.949 1.00 75.52 C ATOM 1046 O LYS A 65 -6.120 -10.444 6.927 1.00 34.10 O ATOM 1047 CB LYS A 65 -8.470 -11.322 9.141 1.00 2.43 C ATOM 1048 CG LYS A 65 -9.337 -12.496 8.611 1.00 52.20 C ATOM 1049 CD LYS A 65 -9.768 -13.475 9.718 1.00 50.32 C ATOM 1050 CE LYS A 65 -8.592 -14.147 10.432 1.00 73.33 C ATOM 1051 NZ LYS A 65 -9.069 -15.057 11.494 1.00 1.11 N ATOM 0 H LYS A 65 -10.284 -10.135 7.976 1.00 35.33 H new ATOM 0 HA LYS A 65 -7.613 -9.404 8.589 1.00 42.32 H new ATOM 0 HB2 LYS A 65 -7.516 -11.722 9.486 1.00 2.43 H new ATOM 0 HB3 LYS A 65 -8.966 -10.887 10.009 1.00 2.43 H new ATOM 0 HG2 LYS A 65 -10.225 -12.093 8.124 1.00 52.20 H new ATOM 0 HG3 LYS A 65 -8.776 -13.040 7.851 1.00 52.20 H new ATOM 0 HD2 LYS A 65 -10.370 -12.939 10.452 1.00 50.32 H new ATOM 0 HD3 LYS A 65 -10.406 -14.244 9.283 1.00 50.32 H new ATOM 0 HE2 LYS A 65 -7.995 -14.705 9.711 1.00 73.33 H new ATOM 0 HE3 LYS A 65 -7.942 -13.387 10.864 1.00 73.33 H new ATOM 0 HZ1 LYS A 65 -8.254 -15.500 11.963 1.00 1.11 H new ATOM 0 HZ2 LYS A 65 -9.619 -14.517 12.192 1.00 1.11 H new ATOM 0 HZ3 LYS A 65 -9.670 -15.795 11.075 1.00 1.11 H new ATOM 1065 N LYS A 66 -7.936 -11.412 5.973 1.00 43.40 N ATOM 1066 CA LYS A 66 -7.202 -11.996 4.830 1.00 45.23 C ATOM 1067 C LYS A 66 -6.713 -10.891 3.886 1.00 61.45 C ATOM 1068 O LYS A 66 -5.632 -11.005 3.301 1.00 13.20 O ATOM 1069 CB LYS A 66 -8.073 -13.022 4.067 1.00 11.43 C ATOM 1070 CG LYS A 66 -8.551 -14.217 4.929 1.00 11.23 C ATOM 1071 CD LYS A 66 -9.266 -15.309 4.101 1.00 45.41 C ATOM 1072 CE LYS A 66 -8.336 -15.989 3.074 1.00 62.33 C ATOM 1073 NZ LYS A 66 -9.020 -17.089 2.347 1.00 10.53 N ATOM 0 H LYS A 66 -8.940 -11.590 5.955 1.00 43.40 H new ATOM 0 HA LYS A 66 -6.335 -12.526 5.223 1.00 45.23 H new ATOM 0 HB2 LYS A 66 -8.945 -12.510 3.661 1.00 11.43 H new ATOM 0 HB3 LYS A 66 -7.505 -13.405 3.219 1.00 11.43 H new ATOM 0 HG2 LYS A 66 -7.693 -14.657 5.438 1.00 11.23 H new ATOM 0 HG3 LYS A 66 -9.228 -13.853 5.702 1.00 11.23 H new ATOM 0 HD2 LYS A 66 -9.668 -16.065 4.776 1.00 45.41 H new ATOM 0 HD3 LYS A 66 -10.113 -14.865 3.578 1.00 45.41 H new ATOM 0 HE2 LYS A 66 -7.982 -15.247 2.359 1.00 62.33 H new ATOM 0 HE3 LYS A 66 -7.458 -16.383 3.585 1.00 62.33 H new ATOM 0 HZ1 LYS A 66 -8.360 -17.519 1.667 1.00 10.53 H new ATOM 0 HZ2 LYS A 66 -9.336 -17.810 3.026 1.00 10.53 H new ATOM 0 HZ3 LYS A 66 -9.843 -16.709 1.838 1.00 10.53 H new ATOM 1087 N GLU A 67 -7.521 -9.820 3.768 1.00 34.44 N ATOM 1088 CA GLU A 67 -7.155 -8.596 3.030 1.00 74.34 C ATOM 1089 C GLU A 67 -5.975 -7.902 3.724 1.00 61.02 C ATOM 1090 O GLU A 67 -5.031 -7.469 3.067 1.00 13.24 O ATOM 1091 CB GLU A 67 -8.387 -7.642 2.914 1.00 22.14 C ATOM 1092 CG GLU A 67 -9.408 -8.022 1.810 1.00 74.41 C ATOM 1093 CD GLU A 67 -9.825 -9.507 1.811 1.00 53.42 C ATOM 1094 OE1 GLU A 67 -10.486 -9.957 2.777 1.00 53.11 O ATOM 1095 OE2 GLU A 67 -9.493 -10.234 0.846 1.00 21.31 O ATOM 0 H GLU A 67 -8.451 -9.780 4.184 1.00 34.44 H new ATOM 0 HA GLU A 67 -6.847 -8.864 2.019 1.00 74.34 H new ATOM 0 HB2 GLU A 67 -8.903 -7.621 3.874 1.00 22.14 H new ATOM 0 HB3 GLU A 67 -8.028 -6.631 2.723 1.00 22.14 H new ATOM 0 HG2 GLU A 67 -10.300 -7.407 1.930 1.00 74.41 H new ATOM 0 HG3 GLU A 67 -8.981 -7.778 0.837 1.00 74.41 H new ATOM 1102 N ALA A 68 -6.023 -7.869 5.069 1.00 21.05 N ATOM 1103 CA ALA A 68 -4.978 -7.264 5.909 1.00 0.42 C ATOM 1104 C ALA A 68 -3.656 -8.034 5.786 1.00 75.23 C ATOM 1105 O ALA A 68 -2.588 -7.435 5.848 1.00 25.02 O ATOM 1106 CB ALA A 68 -5.441 -7.190 7.379 1.00 32.24 C ATOM 0 H ALA A 68 -6.795 -8.265 5.605 1.00 21.05 H new ATOM 0 HA ALA A 68 -4.803 -6.248 5.555 1.00 0.42 H new ATOM 0 HB1 ALA A 68 -4.655 -6.740 7.986 1.00 32.24 H new ATOM 0 HB2 ALA A 68 -6.344 -6.583 7.446 1.00 32.24 H new ATOM 0 HB3 ALA A 68 -5.651 -8.195 7.745 1.00 32.24 H new ATOM 1112 N GLU A 69 -3.749 -9.366 5.592 1.00 72.24 N ATOM 1113 CA GLU A 69 -2.577 -10.235 5.415 1.00 14.03 C ATOM 1114 C GLU A 69 -1.917 -9.995 4.043 1.00 74.41 C ATOM 1115 O GLU A 69 -0.722 -9.676 3.968 1.00 40.22 O ATOM 1116 CB GLU A 69 -2.968 -11.739 5.571 1.00 15.24 C ATOM 1117 CG GLU A 69 -3.436 -12.140 6.987 1.00 5.42 C ATOM 1118 CD GLU A 69 -2.391 -11.849 8.081 1.00 2.55 C ATOM 1119 OE1 GLU A 69 -1.264 -12.391 7.996 1.00 32.12 O ATOM 1120 OE2 GLU A 69 -2.677 -11.076 9.023 1.00 74.20 O ATOM 0 H GLU A 69 -4.638 -9.864 5.554 1.00 72.24 H new ATOM 0 HA GLU A 69 -1.857 -9.984 6.194 1.00 14.03 H new ATOM 0 HB2 GLU A 69 -3.763 -11.969 4.862 1.00 15.24 H new ATOM 0 HB3 GLU A 69 -2.110 -12.354 5.299 1.00 15.24 H new ATOM 0 HG2 GLU A 69 -4.356 -11.606 7.223 1.00 5.42 H new ATOM 0 HG3 GLU A 69 -3.674 -13.204 6.996 1.00 5.42 H new ATOM 1127 N LYS A 70 -2.719 -10.123 2.969 1.00 34.45 N ATOM 1128 CA LYS A 70 -2.206 -10.165 1.586 1.00 2.42 C ATOM 1129 C LYS A 70 -1.748 -8.771 1.098 1.00 51.04 C ATOM 1130 O LYS A 70 -0.705 -8.669 0.451 1.00 45.15 O ATOM 1131 CB LYS A 70 -3.255 -10.809 0.627 1.00 11.42 C ATOM 1132 CG LYS A 70 -4.569 -10.015 0.427 1.00 61.14 C ATOM 1133 CD LYS A 70 -5.708 -10.861 -0.197 1.00 54.41 C ATOM 1134 CE LYS A 70 -5.322 -11.534 -1.530 1.00 15.42 C ATOM 1135 NZ LYS A 70 -4.946 -10.546 -2.572 1.00 24.44 N ATOM 0 H LYS A 70 -3.734 -10.200 3.034 1.00 34.45 H new ATOM 0 HA LYS A 70 -1.319 -10.799 1.577 1.00 2.42 H new ATOM 0 HB2 LYS A 70 -2.788 -10.951 -0.347 1.00 11.42 H new ATOM 0 HB3 LYS A 70 -3.506 -11.799 1.008 1.00 11.42 H new ATOM 0 HG2 LYS A 70 -4.900 -9.626 1.390 1.00 61.14 H new ATOM 0 HG3 LYS A 70 -4.372 -9.155 -0.213 1.00 61.14 H new ATOM 0 HD2 LYS A 70 -6.009 -11.630 0.514 1.00 54.41 H new ATOM 0 HD3 LYS A 70 -6.575 -10.222 -0.361 1.00 54.41 H new ATOM 0 HE2 LYS A 70 -4.489 -12.216 -1.362 1.00 15.42 H new ATOM 0 HE3 LYS A 70 -6.159 -12.134 -1.887 1.00 15.42 H new ATOM 0 HZ1 LYS A 70 -4.942 -11.008 -3.504 1.00 24.44 H new ATOM 0 HZ2 LYS A 70 -5.634 -9.766 -2.575 1.00 24.44 H new ATOM 0 HZ3 LYS A 70 -3.998 -10.170 -2.368 1.00 24.44 H new ATOM 1149 N PHE A 71 -2.495 -7.701 1.461 1.00 61.35 N ATOM 1150 CA PHE A 71 -2.186 -6.316 1.015 1.00 2.14 C ATOM 1151 C PHE A 71 -0.951 -5.775 1.741 1.00 73.31 C ATOM 1152 O PHE A 71 -0.118 -5.096 1.125 1.00 22.01 O ATOM 1153 CB PHE A 71 -3.395 -5.358 1.236 1.00 71.42 C ATOM 1154 CG PHE A 71 -4.660 -5.699 0.440 1.00 41.45 C ATOM 1155 CD1 PHE A 71 -4.610 -6.504 -0.700 1.00 3.14 C ATOM 1156 CD2 PHE A 71 -5.906 -5.209 0.841 1.00 51.12 C ATOM 1157 CE1 PHE A 71 -5.752 -6.807 -1.399 1.00 74.34 C ATOM 1158 CE2 PHE A 71 -7.047 -5.515 0.135 1.00 31.15 C ATOM 1159 CZ PHE A 71 -6.969 -6.315 -0.985 1.00 13.14 C ATOM 0 H PHE A 71 -3.317 -7.768 2.062 1.00 61.35 H new ATOM 0 HA PHE A 71 -1.979 -6.359 -0.054 1.00 2.14 H new ATOM 0 HB2 PHE A 71 -3.644 -5.354 2.297 1.00 71.42 H new ATOM 0 HB3 PHE A 71 -3.086 -4.345 0.978 1.00 71.42 H new ATOM 0 HD1 PHE A 71 -3.660 -6.893 -1.036 1.00 3.14 H new ATOM 0 HD2 PHE A 71 -5.974 -4.581 1.717 1.00 51.12 H new ATOM 0 HE1 PHE A 71 -5.695 -7.434 -2.277 1.00 74.34 H new ATOM 0 HE2 PHE A 71 -8.002 -5.129 0.458 1.00 31.15 H new ATOM 0 HZ PHE A 71 -7.864 -6.556 -1.539 1.00 13.14 H new ATOM 1169 N ALA A 72 -0.837 -6.098 3.049 1.00 3.10 N ATOM 1170 CA ALA A 72 0.325 -5.706 3.865 1.00 23.03 C ATOM 1171 C ALA A 72 1.598 -6.366 3.321 1.00 71.34 C ATOM 1172 O ALA A 72 2.589 -5.684 3.109 1.00 52.53 O ATOM 1173 CB ALA A 72 0.121 -6.063 5.348 1.00 33.31 C ATOM 0 H ALA A 72 -1.541 -6.631 3.560 1.00 3.10 H new ATOM 0 HA ALA A 72 0.432 -4.623 3.801 1.00 23.03 H new ATOM 0 HB1 ALA A 72 0.998 -5.759 5.919 1.00 33.31 H new ATOM 0 HB2 ALA A 72 -0.758 -5.544 5.730 1.00 33.31 H new ATOM 0 HB3 ALA A 72 -0.022 -7.139 5.447 1.00 33.31 H new ATOM 1179 N ALA A 73 1.519 -7.689 3.039 1.00 3.14 N ATOM 1180 CA ALA A 73 2.658 -8.489 2.526 1.00 21.24 C ATOM 1181 C ALA A 73 3.251 -7.868 1.242 1.00 33.42 C ATOM 1182 O ALA A 73 4.467 -7.657 1.151 1.00 64.44 O ATOM 1183 CB ALA A 73 2.215 -9.944 2.272 1.00 43.13 C ATOM 0 H ALA A 73 0.664 -8.232 3.161 1.00 3.14 H new ATOM 0 HA ALA A 73 3.441 -8.486 3.284 1.00 21.24 H new ATOM 0 HB1 ALA A 73 3.060 -10.521 1.896 1.00 43.13 H new ATOM 0 HB2 ALA A 73 1.861 -10.385 3.204 1.00 43.13 H new ATOM 0 HB3 ALA A 73 1.411 -9.956 1.536 1.00 43.13 H new ATOM 1189 N ILE A 74 2.356 -7.527 0.286 1.00 2.31 N ATOM 1190 CA ILE A 74 2.732 -6.898 -1.001 1.00 14.33 C ATOM 1191 C ILE A 74 3.340 -5.502 -0.768 1.00 22.51 C ATOM 1192 O ILE A 74 4.282 -5.111 -1.456 1.00 12.42 O ATOM 1193 CB ILE A 74 1.492 -6.779 -1.976 1.00 11.34 C ATOM 1194 CG1 ILE A 74 0.845 -8.180 -2.226 1.00 55.04 C ATOM 1195 CG2 ILE A 74 1.882 -6.111 -3.329 1.00 41.54 C ATOM 1196 CD1 ILE A 74 -0.483 -8.153 -2.975 1.00 3.02 C ATOM 0 H ILE A 74 1.353 -7.680 0.386 1.00 2.31 H new ATOM 0 HA ILE A 74 3.476 -7.543 -1.469 1.00 14.33 H new ATOM 0 HB ILE A 74 0.758 -6.137 -1.489 1.00 11.34 H new ATOM 0 HG12 ILE A 74 1.549 -8.793 -2.788 1.00 55.04 H new ATOM 0 HG13 ILE A 74 0.692 -8.670 -1.264 1.00 55.04 H new ATOM 0 HG21 ILE A 74 1.003 -6.048 -3.970 1.00 41.54 H new ATOM 0 HG22 ILE A 74 2.268 -5.109 -3.142 1.00 41.54 H new ATOM 0 HG23 ILE A 74 2.649 -6.709 -3.822 1.00 41.54 H new ATOM 0 HD11 ILE A 74 -0.851 -9.171 -3.099 1.00 3.02 H new ATOM 0 HD12 ILE A 74 -1.209 -7.571 -2.407 1.00 3.02 H new ATOM 0 HD13 ILE A 74 -0.339 -7.697 -3.955 1.00 3.02 H new ATOM 1208 N LEU A 75 2.808 -4.767 0.227 1.00 10.40 N ATOM 1209 CA LEU A 75 3.234 -3.383 0.508 1.00 4.51 C ATOM 1210 C LEU A 75 4.602 -3.350 1.237 1.00 72.14 C ATOM 1211 O LEU A 75 5.359 -2.383 1.092 1.00 31.15 O ATOM 1212 CB LEU A 75 2.129 -2.629 1.296 1.00 52.35 C ATOM 1213 CG LEU A 75 2.304 -1.081 1.399 1.00 43.13 C ATOM 1214 CD1 LEU A 75 2.522 -0.445 0.010 1.00 72.14 C ATOM 1215 CD2 LEU A 75 1.103 -0.438 2.135 1.00 52.21 C ATOM 0 H LEU A 75 2.079 -5.111 0.852 1.00 10.40 H new ATOM 0 HA LEU A 75 3.376 -2.864 -0.440 1.00 4.51 H new ATOM 0 HB2 LEU A 75 1.168 -2.837 0.826 1.00 52.35 H new ATOM 0 HB3 LEU A 75 2.085 -3.039 2.305 1.00 52.35 H new ATOM 0 HG LEU A 75 3.200 -0.884 1.988 1.00 43.13 H new ATOM 0 HD11 LEU A 75 2.640 0.633 0.118 1.00 72.14 H new ATOM 0 HD12 LEU A 75 3.419 -0.865 -0.446 1.00 72.14 H new ATOM 0 HD13 LEU A 75 1.661 -0.654 -0.625 1.00 72.14 H new ATOM 0 HD21 LEU A 75 1.248 0.641 2.194 1.00 52.21 H new ATOM 0 HD22 LEU A 75 0.185 -0.651 1.588 1.00 52.21 H new ATOM 0 HD23 LEU A 75 1.030 -0.850 3.141 1.00 52.21 H new ATOM 1227 N ILE A 76 4.922 -4.420 2.005 1.00 62.23 N ATOM 1228 CA ILE A 76 6.273 -4.611 2.583 1.00 1.51 C ATOM 1229 C ILE A 76 7.263 -4.930 1.443 1.00 23.12 C ATOM 1230 O ILE A 76 8.401 -4.468 1.472 1.00 65.21 O ATOM 1231 CB ILE A 76 6.317 -5.726 3.736 1.00 74.10 C ATOM 1232 CG1 ILE A 76 5.905 -5.142 5.139 1.00 12.50 C ATOM 1233 CG2 ILE A 76 7.709 -6.407 3.860 1.00 41.24 C ATOM 1234 CD1 ILE A 76 4.469 -4.714 5.286 1.00 12.32 C ATOM 0 H ILE A 76 4.263 -5.163 2.238 1.00 62.23 H new ATOM 0 HA ILE A 76 6.564 -3.683 3.075 1.00 1.51 H new ATOM 0 HB ILE A 76 5.590 -6.479 3.433 1.00 74.10 H new ATOM 0 HG12 ILE A 76 6.118 -5.894 5.899 1.00 12.50 H new ATOM 0 HG13 ILE A 76 6.542 -4.284 5.353 1.00 12.50 H new ATOM 0 HG21 ILE A 76 7.680 -7.152 4.655 1.00 41.24 H new ATOM 0 HG22 ILE A 76 7.962 -6.892 2.917 1.00 41.24 H new ATOM 0 HG23 ILE A 76 8.462 -5.655 4.095 1.00 41.24 H new ATOM 0 HD11 ILE A 76 4.305 -4.330 6.293 1.00 12.32 H new ATOM 0 HD12 ILE A 76 4.246 -3.933 4.559 1.00 12.32 H new ATOM 0 HD13 ILE A 76 3.815 -5.569 5.113 1.00 12.32 H new ATOM 1246 N LYS A 77 6.798 -5.706 0.425 1.00 21.20 N ATOM 1247 CA LYS A 77 7.595 -6.017 -0.794 1.00 42.14 C ATOM 1248 C LYS A 77 7.953 -4.732 -1.573 1.00 31.43 C ATOM 1249 O LYS A 77 9.093 -4.578 -2.036 1.00 64.11 O ATOM 1250 CB LYS A 77 6.846 -7.001 -1.726 1.00 44.22 C ATOM 1251 CG LYS A 77 6.619 -8.411 -1.142 1.00 51.21 C ATOM 1252 CD LYS A 77 5.804 -9.326 -2.094 1.00 25.52 C ATOM 1253 CE LYS A 77 6.459 -9.478 -3.481 1.00 3.34 C ATOM 1254 NZ LYS A 77 5.734 -10.445 -4.338 1.00 1.11 N ATOM 0 H LYS A 77 5.870 -6.129 0.426 1.00 21.20 H new ATOM 0 HA LYS A 77 8.517 -6.492 -0.457 1.00 42.14 H new ATOM 0 HB2 LYS A 77 5.878 -6.570 -1.981 1.00 44.22 H new ATOM 0 HB3 LYS A 77 7.408 -7.096 -2.655 1.00 44.22 H new ATOM 0 HG2 LYS A 77 7.584 -8.875 -0.936 1.00 51.21 H new ATOM 0 HG3 LYS A 77 6.096 -8.326 -0.189 1.00 51.21 H new ATOM 0 HD2 LYS A 77 5.694 -10.310 -1.639 1.00 25.52 H new ATOM 0 HD3 LYS A 77 4.801 -8.917 -2.214 1.00 25.52 H new ATOM 0 HE2 LYS A 77 6.488 -8.507 -3.976 1.00 3.34 H new ATOM 0 HE3 LYS A 77 7.492 -9.805 -3.360 1.00 3.34 H new ATOM 0 HZ1 LYS A 77 6.209 -10.516 -5.260 1.00 1.11 H new ATOM 0 HZ2 LYS A 77 5.728 -11.378 -3.880 1.00 1.11 H new ATOM 0 HZ3 LYS A 77 4.756 -10.121 -4.476 1.00 1.11 H new ATOM 1268 N VAL A 78 6.959 -3.818 -1.699 1.00 61.24 N ATOM 1269 CA VAL A 78 7.148 -2.481 -2.307 1.00 1.02 C ATOM 1270 C VAL A 78 8.263 -1.726 -1.557 1.00 55.32 C ATOM 1271 O VAL A 78 9.238 -1.277 -2.164 1.00 4.24 O ATOM 1272 CB VAL A 78 5.799 -1.646 -2.277 1.00 53.14 C ATOM 1273 CG1 VAL A 78 6.004 -0.178 -2.736 1.00 62.04 C ATOM 1274 CG2 VAL A 78 4.702 -2.343 -3.127 1.00 51.04 C ATOM 0 H VAL A 78 6.005 -3.989 -1.381 1.00 61.24 H new ATOM 0 HA VAL A 78 7.438 -2.610 -3.350 1.00 1.02 H new ATOM 0 HB VAL A 78 5.467 -1.611 -1.239 1.00 53.14 H new ATOM 0 HG11 VAL A 78 5.052 0.351 -2.698 1.00 62.04 H new ATOM 0 HG12 VAL A 78 6.719 0.313 -2.076 1.00 62.04 H new ATOM 0 HG13 VAL A 78 6.385 -0.166 -3.757 1.00 62.04 H new ATOM 0 HG21 VAL A 78 3.786 -1.754 -3.092 1.00 51.04 H new ATOM 0 HG22 VAL A 78 5.041 -2.427 -4.160 1.00 51.04 H new ATOM 0 HG23 VAL A 78 4.509 -3.338 -2.726 1.00 51.04 H new ATOM 1284 N TYR A 79 8.121 -1.679 -0.219 1.00 3.32 N ATOM 1285 CA TYR A 79 9.078 -1.017 0.692 1.00 72.12 C ATOM 1286 C TYR A 79 10.437 -1.757 0.770 1.00 11.13 C ATOM 1287 O TYR A 79 11.438 -1.166 1.183 1.00 14.03 O ATOM 1288 CB TYR A 79 8.441 -0.866 2.107 1.00 75.24 C ATOM 1289 CG TYR A 79 7.571 0.389 2.290 1.00 4.41 C ATOM 1290 CD1 TYR A 79 6.426 0.607 1.520 1.00 44.11 C ATOM 1291 CD2 TYR A 79 7.916 1.359 3.232 1.00 60.51 C ATOM 1292 CE1 TYR A 79 5.663 1.747 1.685 1.00 74.14 C ATOM 1293 CE2 TYR A 79 7.163 2.497 3.402 1.00 11.52 C ATOM 1294 CZ TYR A 79 6.037 2.688 2.632 1.00 65.12 C ATOM 1295 OH TYR A 79 5.285 3.830 2.805 1.00 14.43 O ATOM 0 H TYR A 79 7.331 -2.104 0.266 1.00 3.32 H new ATOM 0 HA TYR A 79 9.291 -0.029 0.285 1.00 72.12 H new ATOM 0 HB2 TYR A 79 7.832 -1.747 2.312 1.00 75.24 H new ATOM 0 HB3 TYR A 79 9.239 -0.850 2.850 1.00 75.24 H new ATOM 0 HD1 TYR A 79 6.133 -0.127 0.784 1.00 44.11 H new ATOM 0 HD2 TYR A 79 8.795 1.212 3.842 1.00 60.51 H new ATOM 0 HE1 TYR A 79 4.782 1.904 1.081 1.00 74.14 H new ATOM 0 HE2 TYR A 79 7.453 3.236 4.134 1.00 11.52 H new ATOM 0 HH TYR A 79 4.707 3.963 2.024 1.00 14.43 H new ATOM 1305 N ALA A 80 10.461 -3.041 0.364 1.00 24.25 N ATOM 1306 CA ALA A 80 11.692 -3.854 0.317 1.00 13.54 C ATOM 1307 C ALA A 80 12.540 -3.473 -0.899 1.00 45.44 C ATOM 1308 O ALA A 80 13.773 -3.478 -0.842 1.00 21.24 O ATOM 1309 CB ALA A 80 11.351 -5.355 0.311 1.00 4.32 C ATOM 0 H ALA A 80 9.628 -3.544 0.059 1.00 24.25 H new ATOM 0 HA ALA A 80 12.278 -3.649 1.213 1.00 13.54 H new ATOM 0 HB1 ALA A 80 12.272 -5.937 0.276 1.00 4.32 H new ATOM 0 HB2 ALA A 80 10.797 -5.606 1.216 1.00 4.32 H new ATOM 0 HB3 ALA A 80 10.742 -5.586 -0.563 1.00 4.32 H new ATOM 1315 N GLU A 81 11.848 -3.128 -1.996 1.00 1.22 N ATOM 1316 CA GLU A 81 12.481 -2.607 -3.220 1.00 72.43 C ATOM 1317 C GLU A 81 12.827 -1.108 -3.059 1.00 5.01 C ATOM 1318 O GLU A 81 13.641 -0.569 -3.813 1.00 4.12 O ATOM 1319 CB GLU A 81 11.531 -2.840 -4.418 1.00 1.40 C ATOM 1320 CG GLU A 81 11.149 -4.322 -4.628 1.00 3.24 C ATOM 1321 CD GLU A 81 10.122 -4.525 -5.751 1.00 61.32 C ATOM 1322 OE1 GLU A 81 8.904 -4.373 -5.502 1.00 12.12 O ATOM 1323 OE2 GLU A 81 10.531 -4.789 -6.906 1.00 10.24 O ATOM 0 H GLU A 81 10.833 -3.202 -2.060 1.00 1.22 H new ATOM 0 HA GLU A 81 13.416 -3.137 -3.403 1.00 72.43 H new ATOM 0 HB2 GLU A 81 10.622 -2.257 -4.268 1.00 1.40 H new ATOM 0 HB3 GLU A 81 12.005 -2.464 -5.325 1.00 1.40 H new ATOM 0 HG2 GLU A 81 12.048 -4.894 -4.858 1.00 3.24 H new ATOM 0 HG3 GLU A 81 10.746 -4.723 -3.698 1.00 3.24 H new ATOM 1330 N LEU A 82 12.195 -0.451 -2.059 1.00 41.21 N ATOM 1331 CA LEU A 82 12.459 0.968 -1.720 1.00 34.32 C ATOM 1332 C LEU A 82 13.591 1.106 -0.688 1.00 1.14 C ATOM 1333 O LEU A 82 14.265 2.141 -0.651 1.00 41.24 O ATOM 1334 CB LEU A 82 11.172 1.642 -1.163 1.00 62.13 C ATOM 1335 CG LEU A 82 9.993 1.779 -2.169 1.00 31.00 C ATOM 1336 CD1 LEU A 82 8.726 2.339 -1.493 1.00 40.25 C ATOM 1337 CD2 LEU A 82 10.414 2.620 -3.386 1.00 2.11 C ATOM 0 H LEU A 82 11.490 -0.888 -1.466 1.00 41.21 H new ATOM 0 HA LEU A 82 12.768 1.466 -2.639 1.00 34.32 H new ATOM 0 HB2 LEU A 82 10.827 1.068 -0.303 1.00 62.13 H new ATOM 0 HB3 LEU A 82 11.433 2.636 -0.799 1.00 62.13 H new ATOM 0 HG LEU A 82 9.739 0.781 -2.526 1.00 31.00 H new ATOM 0 HD11 LEU A 82 7.926 2.419 -2.229 1.00 40.25 H new ATOM 0 HD12 LEU A 82 8.415 1.669 -0.691 1.00 40.25 H new ATOM 0 HD13 LEU A 82 8.939 3.325 -1.080 1.00 40.25 H new ATOM 0 HD21 LEU A 82 9.576 2.704 -4.078 1.00 2.11 H new ATOM 0 HD22 LEU A 82 10.713 3.615 -3.055 1.00 2.11 H new ATOM 0 HD23 LEU A 82 11.252 2.138 -3.889 1.00 2.11 H new ATOM 1349 N GLY A 83 13.793 0.070 0.144 1.00 33.25 N ATOM 1350 CA GLY A 83 14.780 0.131 1.224 1.00 11.43 C ATOM 1351 C GLY A 83 15.160 -1.235 1.745 1.00 42.52 C ATOM 1352 O GLY A 83 15.942 -1.951 1.110 1.00 51.34 O ATOM 0 H GLY A 83 13.286 -0.813 0.086 1.00 33.25 H new ATOM 0 HA2 GLY A 83 15.674 0.640 0.865 1.00 11.43 H new ATOM 0 HA3 GLY A 83 14.380 0.729 2.043 1.00 11.43 H new ATOM 1403 N ILE A 87 10.499 -4.542 7.205 1.00 50.03 N ATOM 1404 CA ILE A 87 9.720 -3.288 7.322 1.00 15.23 C ATOM 1405 C ILE A 87 8.664 -3.441 8.447 1.00 11.43 C ATOM 1406 O ILE A 87 8.144 -4.542 8.674 1.00 43.01 O ATOM 1407 CB ILE A 87 9.004 -2.938 5.952 1.00 1.55 C ATOM 1408 CG1 ILE A 87 10.025 -2.853 4.769 1.00 11.34 C ATOM 1409 CG2 ILE A 87 8.188 -1.623 6.049 1.00 44.02 C ATOM 1410 CD1 ILE A 87 11.007 -1.690 4.850 1.00 64.24 C ATOM 0 HA ILE A 87 10.402 -2.474 7.567 1.00 15.23 H new ATOM 0 HB ILE A 87 8.312 -3.755 5.747 1.00 1.55 H new ATOM 0 HG12 ILE A 87 10.590 -3.784 4.729 1.00 11.34 H new ATOM 0 HG13 ILE A 87 9.470 -2.776 3.834 1.00 11.34 H new ATOM 0 HG21 ILE A 87 7.713 -1.418 5.090 1.00 44.02 H new ATOM 0 HG22 ILE A 87 7.423 -1.726 6.819 1.00 44.02 H new ATOM 0 HG23 ILE A 87 8.854 -0.800 6.307 1.00 44.02 H new ATOM 0 HD11 ILE A 87 11.673 -1.715 3.987 1.00 64.24 H new ATOM 0 HD12 ILE A 87 10.457 -0.749 4.856 1.00 64.24 H new ATOM 0 HD13 ILE A 87 11.594 -1.773 5.764 1.00 64.24 H new ATOM 1422 N ASN A 88 8.352 -2.328 9.132 1.00 23.12 N ATOM 1423 CA ASN A 88 7.331 -2.285 10.193 1.00 52.42 C ATOM 1424 C ASN A 88 5.965 -1.959 9.575 1.00 45.14 C ATOM 1425 O ASN A 88 5.842 -1.028 8.766 1.00 25.51 O ATOM 1426 CB ASN A 88 7.704 -1.212 11.252 1.00 24.02 C ATOM 1427 CG ASN A 88 6.717 -1.111 12.419 1.00 10.12 C ATOM 1428 OD1 ASN A 88 6.089 -2.095 12.813 1.00 32.03 O ATOM 1429 ND2 ASN A 88 6.584 0.078 12.976 1.00 63.23 N ATOM 0 H ASN A 88 8.803 -1.429 8.965 1.00 23.12 H new ATOM 0 HA ASN A 88 7.283 -3.257 10.684 1.00 52.42 H new ATOM 0 HB2 ASN A 88 8.695 -1.437 11.647 1.00 24.02 H new ATOM 0 HB3 ASN A 88 7.770 -0.241 10.761 1.00 24.02 H new ATOM 0 HD21 ASN A 88 5.944 0.205 13.760 1.00 63.23 H new ATOM 0 HD22 ASN A 88 7.121 0.870 12.622 1.00 63.23 H new ATOM 1436 N VAL A 89 4.950 -2.743 9.966 1.00 4.10 N ATOM 1437 CA VAL A 89 3.553 -2.547 9.557 1.00 4.13 C ATOM 1438 C VAL A 89 2.702 -2.224 10.807 1.00 64.51 C ATOM 1439 O VAL A 89 2.760 -2.932 11.822 1.00 33.10 O ATOM 1440 CB VAL A 89 2.989 -3.810 8.784 1.00 32.10 C ATOM 1441 CG1 VAL A 89 3.159 -5.123 9.596 1.00 22.55 C ATOM 1442 CG2 VAL A 89 1.511 -3.601 8.348 1.00 10.33 C ATOM 0 H VAL A 89 5.079 -3.543 10.585 1.00 4.10 H new ATOM 0 HA VAL A 89 3.501 -1.709 8.862 1.00 4.13 H new ATOM 0 HB VAL A 89 3.589 -3.917 7.880 1.00 32.10 H new ATOM 0 HG11 VAL A 89 2.757 -5.959 9.024 1.00 22.55 H new ATOM 0 HG12 VAL A 89 4.217 -5.294 9.794 1.00 22.55 H new ATOM 0 HG13 VAL A 89 2.622 -5.039 10.541 1.00 22.55 H new ATOM 0 HG21 VAL A 89 1.158 -4.487 7.821 1.00 10.33 H new ATOM 0 HG22 VAL A 89 0.892 -3.433 9.229 1.00 10.33 H new ATOM 0 HG23 VAL A 89 1.445 -2.736 7.688 1.00 10.33 H new ATOM 1452 N THR A 90 1.963 -1.112 10.729 1.00 72.24 N ATOM 1453 CA THR A 90 1.045 -0.647 11.771 1.00 64.44 C ATOM 1454 C THR A 90 -0.397 -0.717 11.231 1.00 22.31 C ATOM 1455 O THR A 90 -0.771 0.055 10.338 1.00 25.23 O ATOM 1456 CB THR A 90 1.408 0.819 12.180 1.00 44.25 C ATOM 1457 OG1 THR A 90 2.796 0.873 12.550 1.00 33.22 O ATOM 1458 CG2 THR A 90 0.547 1.340 13.350 1.00 71.32 C ATOM 0 H THR A 90 1.989 -0.495 9.917 1.00 72.24 H new ATOM 0 HA THR A 90 1.130 -1.280 12.654 1.00 64.44 H new ATOM 0 HB THR A 90 1.208 1.459 11.321 1.00 44.25 H new ATOM 0 HG1 THR A 90 3.031 1.789 12.806 1.00 33.22 H new ATOM 0 HG21 THR A 90 0.841 2.361 13.592 1.00 71.32 H new ATOM 0 HG22 THR A 90 -0.505 1.324 13.063 1.00 71.32 H new ATOM 0 HG23 THR A 90 0.695 0.703 14.222 1.00 71.32 H new ATOM 1466 N TRP A 91 -1.189 -1.666 11.750 1.00 12.43 N ATOM 1467 CA TRP A 91 -2.575 -1.870 11.313 1.00 73.53 C ATOM 1468 C TRP A 91 -3.498 -0.869 12.036 1.00 34.31 C ATOM 1469 O TRP A 91 -3.730 -0.990 13.241 1.00 2.31 O ATOM 1470 CB TRP A 91 -3.019 -3.340 11.564 1.00 54.33 C ATOM 1471 CG TRP A 91 -4.397 -3.682 11.017 1.00 0.11 C ATOM 1472 CD1 TRP A 91 -4.939 -3.267 9.830 1.00 45.25 C ATOM 1473 CD2 TRP A 91 -5.391 -4.524 11.621 1.00 43.34 C ATOM 1474 NE1 TRP A 91 -6.192 -3.782 9.674 1.00 54.50 N ATOM 1475 CE2 TRP A 91 -6.493 -4.562 10.749 1.00 74.43 C ATOM 1476 CE3 TRP A 91 -5.452 -5.252 12.810 1.00 64.24 C ATOM 1477 CZ2 TRP A 91 -7.646 -5.288 11.026 1.00 43.31 C ATOM 1478 CZ3 TRP A 91 -6.601 -5.974 13.089 1.00 33.51 C ATOM 1479 CH2 TRP A 91 -7.684 -5.991 12.196 1.00 60.14 C ATOM 0 H TRP A 91 -0.888 -2.310 12.481 1.00 12.43 H new ATOM 0 HA TRP A 91 -2.645 -1.689 10.240 1.00 73.53 H new ATOM 0 HB2 TRP A 91 -2.286 -4.010 11.114 1.00 54.33 H new ATOM 0 HB3 TRP A 91 -3.010 -3.532 12.637 1.00 54.33 H new ATOM 0 HD1 TRP A 91 -4.444 -2.623 9.118 1.00 45.25 H new ATOM 0 HE1 TRP A 91 -6.806 -3.610 8.878 1.00 54.50 H new ATOM 0 HE3 TRP A 91 -4.620 -5.253 13.499 1.00 64.24 H new ATOM 0 HZ2 TRP A 91 -8.481 -5.296 10.341 1.00 43.31 H new ATOM 0 HZ3 TRP A 91 -6.665 -6.534 14.010 1.00 33.51 H new ATOM 0 HH2 TRP A 91 -8.563 -6.570 12.439 1.00 60.14 H new ATOM 1490 N ASP A 92 -3.987 0.131 11.278 1.00 44.13 N ATOM 1491 CA ASP A 92 -4.968 1.143 11.752 1.00 14.45 C ATOM 1492 C ASP A 92 -6.252 0.472 12.300 1.00 50.03 C ATOM 1493 O ASP A 92 -6.864 0.961 13.257 1.00 51.22 O ATOM 1494 CB ASP A 92 -5.285 2.140 10.581 1.00 51.44 C ATOM 1495 CG ASP A 92 -6.644 2.865 10.693 1.00 44.20 C ATOM 1496 OD1 ASP A 92 -6.763 3.826 11.481 1.00 23.32 O ATOM 1497 OD2 ASP A 92 -7.611 2.447 10.013 1.00 60.30 O ATOM 0 H ASP A 92 -3.712 0.266 10.305 1.00 44.13 H new ATOM 0 HA ASP A 92 -4.535 1.702 12.582 1.00 14.45 H new ATOM 0 HB2 ASP A 92 -4.493 2.888 10.536 1.00 51.44 H new ATOM 0 HB3 ASP A 92 -5.259 1.591 9.639 1.00 51.44 H new ATOM 1502 N GLY A 93 -6.642 -0.655 11.679 1.00 74.21 N ATOM 1503 CA GLY A 93 -7.865 -1.387 12.042 1.00 53.05 C ATOM 1504 C GLY A 93 -8.807 -1.488 10.860 1.00 53.23 C ATOM 1505 O GLY A 93 -9.396 -2.538 10.597 1.00 64.42 O ATOM 0 H GLY A 93 -6.119 -1.082 10.914 1.00 74.21 H new ATOM 0 HA2 GLY A 93 -7.605 -2.386 12.391 1.00 53.05 H new ATOM 0 HA3 GLY A 93 -8.365 -0.881 12.868 1.00 53.05 H new ATOM 1509 N ASP A 94 -8.945 -0.366 10.147 1.00 61.34 N ATOM 1510 CA ASP A 94 -9.724 -0.282 8.896 1.00 40.53 C ATOM 1511 C ASP A 94 -8.776 -0.337 7.677 1.00 72.01 C ATOM 1512 O ASP A 94 -9.171 -0.713 6.566 1.00 12.42 O ATOM 1513 CB ASP A 94 -10.568 1.025 8.882 1.00 15.00 C ATOM 1514 CG ASP A 94 -11.562 1.073 7.717 1.00 40.54 C ATOM 1515 OD1 ASP A 94 -12.623 0.416 7.812 1.00 12.54 O ATOM 1516 OD2 ASP A 94 -11.292 1.735 6.689 1.00 24.25 O ATOM 0 H ASP A 94 -8.518 0.519 10.419 1.00 61.34 H new ATOM 0 HA ASP A 94 -10.405 -1.132 8.840 1.00 40.53 H new ATOM 0 HB2 ASP A 94 -11.112 1.112 9.823 1.00 15.00 H new ATOM 0 HB3 ASP A 94 -9.900 1.884 8.820 1.00 15.00 H new ATOM 1521 N THR A 95 -7.513 0.042 7.920 1.00 44.14 N ATOM 1522 CA THR A 95 -6.487 0.221 6.882 1.00 41.11 C ATOM 1523 C THR A 95 -5.130 -0.347 7.382 1.00 42.13 C ATOM 1524 O THR A 95 -4.823 -0.250 8.571 1.00 51.42 O ATOM 1525 CB THR A 95 -6.373 1.757 6.566 1.00 2.43 C ATOM 1526 OG1 THR A 95 -7.652 2.279 6.145 1.00 23.43 O ATOM 1527 CG2 THR A 95 -5.345 2.063 5.480 1.00 31.34 C ATOM 0 H THR A 95 -7.170 0.236 8.861 1.00 44.14 H new ATOM 0 HA THR A 95 -6.760 -0.317 5.974 1.00 41.11 H new ATOM 0 HB THR A 95 -6.045 2.235 7.489 1.00 2.43 H new ATOM 0 HG1 THR A 95 -7.567 3.236 5.953 1.00 23.43 H new ATOM 0 HG21 THR A 95 -5.310 3.138 5.305 1.00 31.34 H new ATOM 0 HG22 THR A 95 -4.363 1.716 5.800 1.00 31.34 H new ATOM 0 HG23 THR A 95 -5.627 1.554 4.558 1.00 31.34 H new ATOM 1535 N VAL A 96 -4.337 -0.977 6.484 1.00 55.10 N ATOM 1536 CA VAL A 96 -2.952 -1.408 6.795 1.00 71.53 C ATOM 1537 C VAL A 96 -1.953 -0.307 6.380 1.00 24.35 C ATOM 1538 O VAL A 96 -1.794 0.003 5.197 1.00 74.53 O ATOM 1539 CB VAL A 96 -2.562 -2.803 6.128 1.00 14.21 C ATOM 1540 CG1 VAL A 96 -3.329 -3.967 6.800 1.00 51.43 C ATOM 1541 CG2 VAL A 96 -2.783 -2.822 4.587 1.00 33.22 C ATOM 0 H VAL A 96 -4.634 -1.199 5.534 1.00 55.10 H new ATOM 0 HA VAL A 96 -2.902 -1.563 7.873 1.00 71.53 H new ATOM 0 HB VAL A 96 -1.493 -2.937 6.294 1.00 14.21 H new ATOM 0 HG11 VAL A 96 -3.047 -4.909 6.329 1.00 51.43 H new ATOM 0 HG12 VAL A 96 -3.079 -4.003 7.860 1.00 51.43 H new ATOM 0 HG13 VAL A 96 -4.402 -3.810 6.685 1.00 51.43 H new ATOM 0 HG21 VAL A 96 -2.500 -3.797 4.191 1.00 33.22 H new ATOM 0 HG22 VAL A 96 -3.834 -2.632 4.368 1.00 33.22 H new ATOM 0 HG23 VAL A 96 -2.170 -2.050 4.122 1.00 33.22 H new ATOM 1551 N THR A 97 -1.323 0.317 7.384 1.00 21.44 N ATOM 1552 CA THR A 97 -0.274 1.322 7.174 1.00 23.54 C ATOM 1553 C THR A 97 1.096 0.643 7.302 1.00 30.04 C ATOM 1554 O THR A 97 1.269 -0.252 8.124 1.00 4.32 O ATOM 1555 CB THR A 97 -0.405 2.484 8.206 1.00 51.24 C ATOM 1556 OG1 THR A 97 -1.737 3.022 8.141 1.00 43.22 O ATOM 1557 CG2 THR A 97 0.621 3.604 7.945 1.00 63.04 C ATOM 0 H THR A 97 -1.527 0.138 8.367 1.00 21.44 H new ATOM 0 HA THR A 97 -0.380 1.751 6.177 1.00 23.54 H new ATOM 0 HB THR A 97 -0.205 2.081 9.199 1.00 51.24 H new ATOM 0 HG1 THR A 97 -1.827 3.752 8.789 1.00 43.22 H new ATOM 0 HG21 THR A 97 0.495 4.393 8.686 1.00 63.04 H new ATOM 0 HG22 THR A 97 1.630 3.197 8.016 1.00 63.04 H new ATOM 0 HG23 THR A 97 0.465 4.015 6.948 1.00 63.04 H new ATOM 1565 N VAL A 98 2.047 1.056 6.458 1.00 74.23 N ATOM 1566 CA VAL A 98 3.401 0.481 6.398 1.00 15.45 C ATOM 1567 C VAL A 98 4.421 1.631 6.421 1.00 0.34 C ATOM 1568 O VAL A 98 4.488 2.426 5.475 1.00 74.33 O ATOM 1569 CB VAL A 98 3.563 -0.411 5.103 1.00 23.14 C ATOM 1570 CG1 VAL A 98 5.019 -0.873 4.878 1.00 34.01 C ATOM 1571 CG2 VAL A 98 2.608 -1.636 5.160 1.00 20.12 C ATOM 0 H VAL A 98 1.899 1.809 5.787 1.00 74.23 H new ATOM 0 HA VAL A 98 3.574 -0.166 7.258 1.00 15.45 H new ATOM 0 HB VAL A 98 3.292 0.215 4.253 1.00 23.14 H new ATOM 0 HG11 VAL A 98 5.072 -1.482 3.975 1.00 34.01 H new ATOM 0 HG12 VAL A 98 5.664 -0.002 4.766 1.00 34.01 H new ATOM 0 HG13 VAL A 98 5.350 -1.462 5.733 1.00 34.01 H new ATOM 0 HG21 VAL A 98 2.734 -2.238 4.260 1.00 20.12 H new ATOM 0 HG22 VAL A 98 2.843 -2.240 6.036 1.00 20.12 H new ATOM 0 HG23 VAL A 98 1.576 -1.290 5.224 1.00 20.12 H new ATOM 1581 N GLU A 99 5.161 1.743 7.541 1.00 60.23 N ATOM 1582 CA GLU A 99 6.148 2.815 7.752 1.00 74.35 C ATOM 1583 C GLU A 99 7.254 2.327 8.717 1.00 33.40 C ATOM 1584 O GLU A 99 6.953 1.655 9.711 1.00 63.11 O ATOM 1585 CB GLU A 99 5.442 4.089 8.314 1.00 5.43 C ATOM 1586 CG GLU A 99 6.351 5.330 8.366 1.00 61.00 C ATOM 1587 CD GLU A 99 5.697 6.563 9.012 1.00 25.53 C ATOM 1588 OE1 GLU A 99 4.869 7.210 8.362 1.00 55.41 O ATOM 1589 OE2 GLU A 99 6.016 6.897 10.170 1.00 41.11 O ATOM 0 H GLU A 99 5.090 1.092 8.323 1.00 60.23 H new ATOM 0 HA GLU A 99 6.610 3.073 6.799 1.00 74.35 H new ATOM 0 HB2 GLU A 99 4.572 4.313 7.697 1.00 5.43 H new ATOM 0 HB3 GLU A 99 5.075 3.877 9.318 1.00 5.43 H new ATOM 0 HG2 GLU A 99 7.256 5.081 8.920 1.00 61.00 H new ATOM 0 HG3 GLU A 99 6.658 5.585 7.352 1.00 61.00 H new ATOM 1596 N GLY A 100 8.528 2.663 8.410 1.00 52.11 N ATOM 1597 CA GLY A 100 9.672 2.337 9.285 1.00 33.34 C ATOM 1598 C GLY A 100 10.184 0.913 9.098 1.00 21.41 C ATOM 1599 O GLY A 100 9.793 0.222 8.152 1.00 60.20 O ATOM 0 H GLY A 100 8.788 3.162 7.559 1.00 52.11 H new ATOM 0 HA2 GLY A 100 10.484 3.037 9.087 1.00 33.34 H new ATOM 0 HA3 GLY A 100 9.377 2.477 10.325 1.00 33.34 H new