USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=27 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 42 ASN : amide:sc= 0.225 K(o=0.46,f=-0.59) USER MOD Set 1.2: A 45 LYS NZ :NH3+ 137:sc= 0.231 (180deg=0) USER MOD Set 2.1: A 27 TYR OH : rot 90:sc= -0.126 USER MOD Set 2.2: A 51 GLN : amide:sc=-0.00459 X(o=-0.13,f=-0.55) USER MOD Set 3.1: A 16 ASN :FLIP amide:sc= -2.87 F(o=-4.2!,f=-1.2) USER MOD Set 3.2: A 56 SER OG : rot 92:sc= 0.156 USER MOD Set 3.3: A 58 THR OG1 : rot -82:sc= 1.1 USER MOD Set 3.4: A 79 TYR OH : rot 32:sc= 0.447 USER MOD Set 4.1: A 13 GLN :FLIP amide:sc= -0.393 X(o=-0.47,f=-0.38) USER MOD Set 4.2: A 15 GLN : amide:sc= 0.00862 X(o=-0.38,f=-0.47) USER MOD Single : A 17 ASN : amide:sc= -0.0901 X(o=-0.09,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.0137 X(o=-0.014,f=-0.49) USER MOD Single : A 19 THR OG1 : rot -49:sc= 0.813 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 124:sc= 0.19 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 67:sc= 0.197 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 35 SER OG : rot 86:sc= 0.05 USER MOD Single : A 38 GLN : amide:sc= -0.0274 K(o=-0.027,f=-1.9!) USER MOD Single : A 39 LYS NZ :NH3+ 176:sc= 0.451 (180deg=0.441) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -117:sc= 1.26 (180deg=-0.205) USER MOD Single : A 50 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00352) USER MOD Single : A 53 CYS SG : rot 180:sc= 0.0625 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -11:sc= -0.0527 USER MOD Single : A 61 THR OG1 : rot 64:sc= 0.882 USER MOD Single : A 64 THR OG1 : rot -72:sc= 0.232 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0176) USER MOD Single : A 70 LYS NZ :NH3+ 173:sc= 0.87 (180deg=0.824) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0.682 K(o=0.68,f=-5!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc=-0.00882 USER MOD Single : A 97 THR OG1 : rot 103:sc= 0.443 USER MOD ----------------------------------------------------------------- ATOM 170 N ASP A 11 -14.417 -0.392 -1.248 1.00 45.13 N ATOM 171 CA ASP A 11 -13.330 -0.250 -2.233 1.00 44.42 C ATOM 172 C ASP A 11 -12.004 0.035 -1.530 1.00 65.35 C ATOM 173 O ASP A 11 -11.972 0.547 -0.399 1.00 73.33 O ATOM 174 CB ASP A 11 -13.651 0.877 -3.250 1.00 34.43 C ATOM 175 CG ASP A 11 -14.976 0.643 -3.989 1.00 4.25 C ATOM 176 OD1 ASP A 11 -14.999 -0.115 -4.982 1.00 63.42 O ATOM 177 OD2 ASP A 11 -16.010 1.208 -3.575 1.00 23.45 O ATOM 0 HA ASP A 11 -13.242 -1.190 -2.778 1.00 44.42 H new ATOM 0 HB2 ASP A 11 -13.694 1.832 -2.727 1.00 34.43 H new ATOM 0 HB3 ASP A 11 -12.841 0.948 -3.976 1.00 34.43 H new ATOM 182 N ILE A 12 -10.914 -0.297 -2.218 1.00 34.14 N ATOM 183 CA ILE A 12 -9.563 -0.177 -1.683 1.00 12.24 C ATOM 184 C ILE A 12 -9.023 1.255 -1.921 1.00 52.41 C ATOM 185 O ILE A 12 -8.666 1.620 -3.045 1.00 23.14 O ATOM 186 CB ILE A 12 -8.615 -1.239 -2.344 1.00 42.10 C ATOM 187 CG1 ILE A 12 -9.232 -2.675 -2.275 1.00 53.21 C ATOM 188 CG2 ILE A 12 -7.213 -1.208 -1.700 1.00 71.30 C ATOM 189 CD1 ILE A 12 -8.513 -3.710 -3.128 1.00 74.10 C ATOM 0 H ILE A 12 -10.946 -0.660 -3.171 1.00 34.14 H new ATOM 0 HA ILE A 12 -9.593 -0.366 -0.610 1.00 12.24 H new ATOM 0 HB ILE A 12 -8.508 -0.975 -3.396 1.00 42.10 H new ATOM 0 HG12 ILE A 12 -9.227 -3.010 -1.238 1.00 53.21 H new ATOM 0 HG13 ILE A 12 -10.275 -2.625 -2.589 1.00 53.21 H new ATOM 0 HG21 ILE A 12 -6.577 -1.954 -2.177 1.00 71.30 H new ATOM 0 HG22 ILE A 12 -6.774 -0.219 -1.831 1.00 71.30 H new ATOM 0 HG23 ILE A 12 -7.296 -1.429 -0.636 1.00 71.30 H new ATOM 0 HD11 ILE A 12 -9.006 -4.676 -3.021 1.00 74.10 H new ATOM 0 HD12 ILE A 12 -8.540 -3.403 -4.173 1.00 74.10 H new ATOM 0 HD13 ILE A 12 -7.476 -3.794 -2.802 1.00 74.10 H new ATOM 201 N GLN A 13 -9.008 2.058 -0.850 1.00 13.41 N ATOM 202 CA GLN A 13 -8.434 3.414 -0.838 1.00 22.52 C ATOM 203 C GLN A 13 -6.956 3.345 -0.399 1.00 3.11 C ATOM 204 O GLN A 13 -6.604 2.591 0.511 1.00 42.41 O ATOM 205 CB GLN A 13 -9.248 4.316 0.133 1.00 61.31 C ATOM 206 CG GLN A 13 -8.846 5.808 0.145 1.00 11.12 C ATOM 207 CD GLN A 13 -9.578 6.644 1.211 1.00 43.25 C ATOM 208 OE1 GLN A 13 -9.808 7.913 0.928 1.00 44.10 O flip ATOM 209 NE2 GLN A 13 -9.929 6.151 2.281 1.00 13.44 N flip ATOM 0 H GLN A 13 -9.401 1.781 0.050 1.00 13.41 H new ATOM 0 HA GLN A 13 -8.483 3.843 -1.839 1.00 22.52 H new ATOM 0 HB2 GLN A 13 -10.303 4.244 -0.130 1.00 61.31 H new ATOM 0 HB3 GLN A 13 -9.143 3.921 1.143 1.00 61.31 H new ATOM 0 HG2 GLN A 13 -7.772 5.883 0.313 1.00 11.12 H new ATOM 0 HG3 GLN A 13 -9.045 6.236 -0.838 1.00 11.12 H new ATOM 0 HE21 GLN A 13 -9.740 5.168 2.476 1.00 13.44 H new ATOM 0 HE22 GLN A 13 -10.410 6.725 2.974 1.00 13.44 H new ATOM 218 N VAL A 14 -6.105 4.139 -1.052 1.00 64.54 N ATOM 219 CA VAL A 14 -4.661 4.194 -0.796 1.00 63.42 C ATOM 220 C VAL A 14 -4.295 5.644 -0.456 1.00 45.11 C ATOM 221 O VAL A 14 -4.400 6.519 -1.312 1.00 41.31 O ATOM 222 CB VAL A 14 -3.818 3.717 -2.044 1.00 61.13 C ATOM 223 CG1 VAL A 14 -2.312 3.669 -1.698 1.00 71.54 C ATOM 224 CG2 VAL A 14 -4.318 2.357 -2.590 1.00 1.55 C ATOM 0 H VAL A 14 -6.405 4.776 -1.790 1.00 64.54 H new ATOM 0 HA VAL A 14 -4.426 3.521 0.029 1.00 63.42 H new ATOM 0 HB VAL A 14 -3.960 4.448 -2.840 1.00 61.13 H new ATOM 0 HG11 VAL A 14 -1.749 3.338 -2.570 1.00 71.54 H new ATOM 0 HG12 VAL A 14 -1.974 4.663 -1.403 1.00 71.54 H new ATOM 0 HG13 VAL A 14 -2.150 2.972 -0.876 1.00 71.54 H new ATOM 0 HG21 VAL A 14 -3.712 2.064 -3.448 1.00 1.55 H new ATOM 0 HG22 VAL A 14 -4.234 1.599 -1.811 1.00 1.55 H new ATOM 0 HG23 VAL A 14 -5.360 2.449 -2.896 1.00 1.55 H new ATOM 234 N GLN A 15 -3.936 5.891 0.806 1.00 15.54 N ATOM 235 CA GLN A 15 -3.471 7.203 1.287 1.00 3.42 C ATOM 236 C GLN A 15 -1.949 7.185 1.432 1.00 23.31 C ATOM 237 O GLN A 15 -1.386 6.244 2.001 1.00 73.31 O ATOM 238 CB GLN A 15 -4.145 7.537 2.643 1.00 22.14 C ATOM 239 CG GLN A 15 -5.653 7.852 2.540 1.00 0.33 C ATOM 240 CD GLN A 15 -5.953 9.150 1.774 1.00 31.22 C ATOM 241 OE1 GLN A 15 -5.165 10.098 1.776 1.00 5.41 O ATOM 242 NE2 GLN A 15 -7.104 9.216 1.133 1.00 34.20 N ATOM 0 H GLN A 15 -3.959 5.179 1.536 1.00 15.54 H new ATOM 0 HA GLN A 15 -3.746 7.973 0.567 1.00 3.42 H new ATOM 0 HB2 GLN A 15 -4.007 6.695 3.322 1.00 22.14 H new ATOM 0 HB3 GLN A 15 -3.636 8.392 3.088 1.00 22.14 H new ATOM 0 HG2 GLN A 15 -6.157 7.022 2.045 1.00 0.33 H new ATOM 0 HG3 GLN A 15 -6.071 7.926 3.544 1.00 0.33 H new ATOM 0 HE21 GLN A 15 -7.741 8.419 1.145 1.00 34.20 H new ATOM 0 HE22 GLN A 15 -7.357 10.064 0.625 1.00 34.20 H new ATOM 251 N ASN A 16 -1.290 8.220 0.898 1.00 22.42 N ATOM 252 CA ASN A 16 0.174 8.370 0.950 1.00 23.45 C ATOM 253 C ASN A 16 0.528 9.725 1.564 1.00 63.24 C ATOM 254 O ASN A 16 -0.127 10.740 1.280 1.00 54.33 O ATOM 255 CB ASN A 16 0.793 8.248 -0.466 1.00 33.03 C ATOM 256 CG ASN A 16 0.480 6.913 -1.138 1.00 53.12 C ATOM 257 OD1 ASN A 16 1.337 5.932 -0.939 1.00 50.52 O flip ATOM 258 ND2 ASN A 16 -0.530 6.764 -1.825 1.00 42.23 N flip ATOM 0 H ASN A 16 -1.759 8.985 0.413 1.00 22.42 H new ATOM 0 HA ASN A 16 0.585 7.572 1.569 1.00 23.45 H new ATOM 0 HB2 ASN A 16 0.421 9.060 -1.091 1.00 33.03 H new ATOM 0 HB3 ASN A 16 1.874 8.369 -0.396 1.00 33.03 H new ATOM 0 HD21 ASN A 16 -1.174 7.543 -1.960 1.00 42.23 H new ATOM 0 HD22 ASN A 16 -0.723 5.861 -2.259 1.00 42.23 H new ATOM 265 N ASN A 17 1.557 9.717 2.408 1.00 52.03 N ATOM 266 CA ASN A 17 2.126 10.917 3.013 1.00 4.32 C ATOM 267 C ASN A 17 3.637 10.909 2.740 1.00 71.24 C ATOM 268 O ASN A 17 4.374 10.112 3.323 1.00 71.22 O ATOM 269 CB ASN A 17 1.834 10.925 4.536 1.00 53.23 C ATOM 270 CG ASN A 17 2.432 12.131 5.266 1.00 12.31 C ATOM 271 OD1 ASN A 17 1.770 13.143 5.460 1.00 53.25 O ATOM 272 ND2 ASN A 17 3.697 12.041 5.660 1.00 25.31 N ATOM 0 H ASN A 17 2.027 8.859 2.696 1.00 52.03 H new ATOM 0 HA ASN A 17 1.682 11.817 2.587 1.00 4.32 H new ATOM 0 HB2 ASN A 17 0.755 10.915 4.691 1.00 53.23 H new ATOM 0 HB3 ASN A 17 2.228 10.010 4.978 1.00 53.23 H new ATOM 0 HD21 ASN A 17 4.140 12.827 6.137 1.00 25.31 H new ATOM 0 HD22 ASN A 17 4.226 11.186 5.486 1.00 25.31 H new ATOM 279 N ASN A 18 4.077 11.794 1.853 1.00 14.11 N ATOM 280 CA ASN A 18 5.489 11.968 1.484 1.00 32.11 C ATOM 281 C ASN A 18 5.984 13.281 2.096 1.00 5.43 C ATOM 282 O ASN A 18 5.234 14.270 2.146 1.00 74.54 O ATOM 283 CB ASN A 18 5.630 11.972 -0.064 1.00 21.32 C ATOM 284 CG ASN A 18 5.170 10.662 -0.723 1.00 13.24 C ATOM 285 OD1 ASN A 18 5.282 9.575 -0.148 1.00 3.12 O ATOM 286 ND2 ASN A 18 4.649 10.754 -1.937 1.00 64.13 N ATOM 0 H ASN A 18 3.452 12.428 1.355 1.00 14.11 H new ATOM 0 HA ASN A 18 6.095 11.146 1.866 1.00 32.11 H new ATOM 0 HB2 ASN A 18 5.049 12.799 -0.472 1.00 21.32 H new ATOM 0 HB3 ASN A 18 6.672 12.155 -0.326 1.00 21.32 H new ATOM 0 HD21 ASN A 18 4.329 9.914 -2.420 1.00 64.13 H new ATOM 0 HD22 ASN A 18 4.568 11.665 -2.390 1.00 64.13 H new ATOM 293 N THR A 19 7.239 13.294 2.579 1.00 74.24 N ATOM 294 CA THR A 19 7.803 14.447 3.291 1.00 63.15 C ATOM 295 C THR A 19 9.066 14.969 2.572 1.00 32.02 C ATOM 296 O THR A 19 10.075 14.261 2.449 1.00 71.10 O ATOM 297 CB THR A 19 8.127 14.086 4.781 1.00 41.44 C ATOM 298 OG1 THR A 19 9.065 13.009 4.843 1.00 61.22 O ATOM 299 CG2 THR A 19 6.868 13.684 5.575 1.00 23.24 C ATOM 0 H THR A 19 7.884 12.510 2.486 1.00 74.24 H new ATOM 0 HA THR A 19 7.054 15.239 3.291 1.00 63.15 H new ATOM 0 HB THR A 19 8.548 14.985 5.231 1.00 41.44 H new ATOM 0 HG1 THR A 19 8.769 12.283 4.255 1.00 61.22 H new ATOM 0 HG21 THR A 19 7.146 13.443 6.601 1.00 23.24 H new ATOM 0 HG22 THR A 19 6.159 14.512 5.576 1.00 23.24 H new ATOM 0 HG23 THR A 19 6.408 12.812 5.110 1.00 23.24 H new ATOM 407 N TYR A 27 -0.026 11.202 -2.674 1.00 73.42 N ATOM 408 CA TYR A 27 -0.819 10.341 -3.584 1.00 23.11 C ATOM 409 C TYR A 27 -2.051 9.789 -2.870 1.00 71.11 C ATOM 410 O TYR A 27 -2.014 9.497 -1.670 1.00 64.13 O ATOM 411 CB TYR A 27 0.045 9.170 -4.140 1.00 54.00 C ATOM 412 CG TYR A 27 1.257 9.658 -4.915 1.00 11.14 C ATOM 413 CD1 TYR A 27 1.162 9.971 -6.267 1.00 0.35 C ATOM 414 CD2 TYR A 27 2.480 9.867 -4.280 1.00 20.23 C ATOM 415 CE1 TYR A 27 2.241 10.473 -6.958 1.00 13.40 C ATOM 416 CE2 TYR A 27 3.553 10.383 -4.962 1.00 1.41 C ATOM 417 CZ TYR A 27 3.434 10.681 -6.300 1.00 25.15 C ATOM 418 OH TYR A 27 4.509 11.210 -6.981 1.00 54.13 O ATOM 0 HA TYR A 27 -1.146 10.957 -4.422 1.00 23.11 H new ATOM 0 HB2 TYR A 27 0.376 8.542 -3.313 1.00 54.00 H new ATOM 0 HB3 TYR A 27 -0.569 8.545 -4.788 1.00 54.00 H new ATOM 0 HD1 TYR A 27 0.226 9.817 -6.783 1.00 0.35 H new ATOM 0 HD2 TYR A 27 2.585 9.619 -3.234 1.00 20.23 H new ATOM 0 HE1 TYR A 27 2.153 10.703 -8.010 1.00 13.40 H new ATOM 0 HE2 TYR A 27 4.488 10.555 -4.450 1.00 1.41 H new ATOM 0 HH TYR A 27 4.489 12.188 -6.915 1.00 54.13 H new ATOM 428 N THR A 28 -3.151 9.705 -3.618 1.00 41.31 N ATOM 429 CA THR A 28 -4.364 9.005 -3.209 1.00 2.15 C ATOM 430 C THR A 28 -4.936 8.274 -4.432 1.00 43.32 C ATOM 431 O THR A 28 -5.071 8.876 -5.505 1.00 61.52 O ATOM 432 CB THR A 28 -5.430 9.974 -2.599 1.00 1.15 C ATOM 433 OG1 THR A 28 -4.876 10.666 -1.464 1.00 14.21 O ATOM 434 CG2 THR A 28 -6.701 9.224 -2.162 1.00 14.14 C ATOM 0 H THR A 28 -3.223 10.130 -4.542 1.00 41.31 H new ATOM 0 HA THR A 28 -4.110 8.293 -2.424 1.00 2.15 H new ATOM 0 HB THR A 28 -5.704 10.687 -3.376 1.00 1.15 H new ATOM 0 HG1 THR A 28 -5.549 11.271 -1.089 1.00 14.21 H new ATOM 0 HG21 THR A 28 -7.416 9.933 -1.744 1.00 14.14 H new ATOM 0 HG22 THR A 28 -7.145 8.727 -3.025 1.00 14.14 H new ATOM 0 HG23 THR A 28 -6.444 8.481 -1.408 1.00 14.14 H new ATOM 442 N TYR A 29 -5.225 6.975 -4.276 1.00 12.24 N ATOM 443 CA TYR A 29 -5.848 6.143 -5.320 1.00 13.50 C ATOM 444 C TYR A 29 -7.052 5.412 -4.714 1.00 64.11 C ATOM 445 O TYR A 29 -7.007 5.009 -3.556 1.00 5.14 O ATOM 446 CB TYR A 29 -4.825 5.113 -5.891 1.00 30.05 C ATOM 447 CG TYR A 29 -3.575 5.748 -6.528 1.00 14.15 C ATOM 448 CD1 TYR A 29 -3.670 6.462 -7.725 1.00 51.22 C ATOM 449 CD2 TYR A 29 -2.309 5.634 -5.938 1.00 22.43 C ATOM 450 CE1 TYR A 29 -2.557 7.037 -8.307 1.00 2.42 C ATOM 451 CE2 TYR A 29 -1.190 6.210 -6.521 1.00 75.41 C ATOM 452 CZ TYR A 29 -1.319 6.909 -7.704 1.00 14.32 C ATOM 453 OH TYR A 29 -0.208 7.480 -8.288 1.00 71.55 O ATOM 0 H TYR A 29 -5.032 6.465 -3.414 1.00 12.24 H new ATOM 0 HA TYR A 29 -6.175 6.780 -6.142 1.00 13.50 H new ATOM 0 HB2 TYR A 29 -4.510 4.447 -5.087 1.00 30.05 H new ATOM 0 HB3 TYR A 29 -5.326 4.497 -6.638 1.00 30.05 H new ATOM 0 HD1 TYR A 29 -4.632 6.566 -8.205 1.00 51.22 H new ATOM 0 HD2 TYR A 29 -2.203 5.088 -5.012 1.00 22.43 H new ATOM 0 HE1 TYR A 29 -2.653 7.586 -9.232 1.00 2.42 H new ATOM 0 HE2 TYR A 29 -0.222 6.112 -6.051 1.00 75.41 H new ATOM 0 HH TYR A 29 0.226 8.082 -7.647 1.00 71.55 H new ATOM 463 N THR A 30 -8.138 5.275 -5.482 1.00 4.41 N ATOM 464 CA THR A 30 -9.305 4.468 -5.087 1.00 44.42 C ATOM 465 C THR A 30 -9.598 3.450 -6.196 1.00 12.44 C ATOM 466 O THR A 30 -10.074 3.804 -7.285 1.00 54.10 O ATOM 467 CB THR A 30 -10.559 5.357 -4.796 1.00 74.31 C ATOM 468 OG1 THR A 30 -10.235 6.301 -3.755 1.00 64.11 O ATOM 469 CG2 THR A 30 -11.781 4.516 -4.363 1.00 12.03 C ATOM 0 H THR A 30 -8.236 5.719 -6.395 1.00 4.41 H new ATOM 0 HA THR A 30 -9.074 3.946 -4.158 1.00 44.42 H new ATOM 0 HB THR A 30 -10.825 5.874 -5.718 1.00 74.31 H new ATOM 0 HG1 THR A 30 -11.016 6.863 -3.568 1.00 64.11 H new ATOM 0 HG21 THR A 30 -12.627 5.176 -4.172 1.00 12.03 H new ATOM 0 HG22 THR A 30 -12.040 3.815 -5.156 1.00 12.03 H new ATOM 0 HG23 THR A 30 -11.539 3.964 -3.455 1.00 12.03 H new ATOM 477 N VAL A 31 -9.273 2.187 -5.907 1.00 0.33 N ATOM 478 CA VAL A 31 -9.418 1.063 -6.837 1.00 52.42 C ATOM 479 C VAL A 31 -10.493 0.099 -6.310 1.00 42.43 C ATOM 480 O VAL A 31 -10.635 -0.090 -5.098 1.00 32.44 O ATOM 481 CB VAL A 31 -8.046 0.323 -7.038 1.00 2.34 C ATOM 482 CG1 VAL A 31 -7.012 1.247 -7.726 1.00 62.43 C ATOM 483 CG2 VAL A 31 -7.499 -0.234 -5.706 1.00 72.22 C ATOM 0 H VAL A 31 -8.894 1.911 -5.001 1.00 0.33 H new ATOM 0 HA VAL A 31 -9.730 1.443 -7.810 1.00 52.42 H new ATOM 0 HB VAL A 31 -8.226 -0.528 -7.695 1.00 2.34 H new ATOM 0 HG11 VAL A 31 -6.072 0.710 -7.853 1.00 62.43 H new ATOM 0 HG12 VAL A 31 -7.390 1.553 -8.702 1.00 62.43 H new ATOM 0 HG13 VAL A 31 -6.845 2.130 -7.109 1.00 62.43 H new ATOM 0 HG21 VAL A 31 -6.550 -0.739 -5.885 1.00 72.22 H new ATOM 0 HG22 VAL A 31 -7.347 0.586 -5.004 1.00 72.22 H new ATOM 0 HG23 VAL A 31 -8.213 -0.943 -5.287 1.00 72.22 H new ATOM 493 N THR A 32 -11.250 -0.504 -7.231 1.00 65.33 N ATOM 494 CA THR A 32 -12.404 -1.352 -6.886 1.00 3.34 C ATOM 495 C THR A 32 -12.018 -2.841 -6.830 1.00 63.41 C ATOM 496 O THR A 32 -12.691 -3.644 -6.169 1.00 63.54 O ATOM 497 CB THR A 32 -13.576 -1.115 -7.897 1.00 42.31 C ATOM 498 OG1 THR A 32 -14.744 -1.842 -7.493 1.00 25.15 O ATOM 499 CG2 THR A 32 -13.198 -1.506 -9.334 1.00 74.20 C ATOM 0 H THR A 32 -11.085 -0.421 -8.234 1.00 65.33 H new ATOM 0 HA THR A 32 -12.742 -1.068 -5.889 1.00 3.34 H new ATOM 0 HB THR A 32 -13.787 -0.046 -7.888 1.00 42.31 H new ATOM 0 HG1 THR A 32 -15.086 -1.471 -6.653 1.00 25.15 H new ATOM 0 HG21 THR A 32 -14.045 -1.323 -9.996 1.00 74.20 H new ATOM 0 HG22 THR A 32 -12.346 -0.910 -9.661 1.00 74.20 H new ATOM 0 HG23 THR A 32 -12.935 -2.563 -9.366 1.00 74.20 H new ATOM 507 N THR A 33 -10.917 -3.197 -7.511 1.00 61.30 N ATOM 508 CA THR A 33 -10.452 -4.593 -7.625 1.00 23.25 C ATOM 509 C THR A 33 -8.977 -4.678 -7.179 1.00 60.12 C ATOM 510 O THR A 33 -8.249 -3.674 -7.208 1.00 22.02 O ATOM 511 CB THR A 33 -10.632 -5.113 -9.099 1.00 54.11 C ATOM 512 OG1 THR A 33 -11.922 -4.718 -9.604 1.00 61.22 O ATOM 513 CG2 THR A 33 -10.505 -6.643 -9.213 1.00 43.13 C ATOM 0 H THR A 33 -10.323 -2.527 -7.999 1.00 61.30 H new ATOM 0 HA THR A 33 -11.051 -5.231 -6.975 1.00 23.25 H new ATOM 0 HB THR A 33 -9.830 -4.666 -9.687 1.00 54.11 H new ATOM 0 HG1 THR A 33 -12.027 -5.043 -10.522 1.00 61.22 H new ATOM 0 HG21 THR A 33 -10.638 -6.943 -10.252 1.00 43.13 H new ATOM 0 HG22 THR A 33 -9.518 -6.953 -8.870 1.00 43.13 H new ATOM 0 HG23 THR A 33 -11.269 -7.118 -8.598 1.00 43.13 H new ATOM 521 N GLU A 34 -8.556 -5.881 -6.755 1.00 3.12 N ATOM 522 CA GLU A 34 -7.205 -6.136 -6.218 1.00 35.10 C ATOM 523 C GLU A 34 -6.133 -6.065 -7.323 1.00 32.13 C ATOM 524 O GLU A 34 -4.990 -5.691 -7.061 1.00 53.12 O ATOM 525 CB GLU A 34 -7.186 -7.513 -5.520 1.00 31.21 C ATOM 526 CG GLU A 34 -8.258 -7.656 -4.421 1.00 33.21 C ATOM 527 CD GLU A 34 -8.311 -9.061 -3.814 1.00 14.43 C ATOM 528 OE1 GLU A 34 -7.469 -9.375 -2.956 1.00 44.24 O ATOM 529 OE2 GLU A 34 -9.180 -9.864 -4.213 1.00 22.10 O ATOM 0 H GLU A 34 -9.147 -6.712 -6.775 1.00 3.12 H new ATOM 0 HA GLU A 34 -6.966 -5.359 -5.492 1.00 35.10 H new ATOM 0 HB2 GLU A 34 -7.335 -8.293 -6.267 1.00 31.21 H new ATOM 0 HB3 GLU A 34 -6.202 -7.676 -5.081 1.00 31.21 H new ATOM 0 HG2 GLU A 34 -8.059 -6.932 -3.631 1.00 33.21 H new ATOM 0 HG3 GLU A 34 -9.234 -7.410 -4.839 1.00 33.21 H new ATOM 536 N SER A 35 -6.525 -6.423 -8.554 1.00 21.21 N ATOM 537 CA SER A 35 -5.665 -6.312 -9.749 1.00 32.12 C ATOM 538 C SER A 35 -5.363 -4.840 -10.068 1.00 73.11 C ATOM 539 O SER A 35 -4.249 -4.494 -10.489 1.00 1.44 O ATOM 540 CB SER A 35 -6.369 -6.977 -10.944 1.00 21.52 C ATOM 541 OG SER A 35 -7.704 -6.507 -11.064 1.00 41.44 O ATOM 0 H SER A 35 -7.452 -6.800 -8.754 1.00 21.21 H new ATOM 0 HA SER A 35 -4.719 -6.817 -9.553 1.00 32.12 H new ATOM 0 HB2 SER A 35 -5.819 -6.764 -11.861 1.00 21.52 H new ATOM 0 HB3 SER A 35 -6.369 -8.059 -10.816 1.00 21.52 H new ATOM 0 HG SER A 35 -7.713 -5.678 -11.586 1.00 41.44 H new ATOM 547 N GLU A 36 -6.382 -3.985 -9.847 1.00 41.21 N ATOM 548 CA GLU A 36 -6.272 -2.533 -10.036 1.00 74.01 C ATOM 549 C GLU A 36 -5.294 -1.947 -9.001 1.00 14.52 C ATOM 550 O GLU A 36 -4.541 -1.014 -9.298 1.00 20.14 O ATOM 551 CB GLU A 36 -7.672 -1.869 -9.918 1.00 13.14 C ATOM 552 CG GLU A 36 -8.781 -2.533 -10.759 1.00 72.04 C ATOM 553 CD GLU A 36 -8.450 -2.629 -12.259 1.00 54.55 C ATOM 554 OE1 GLU A 36 -8.592 -1.606 -12.969 1.00 42.00 O ATOM 555 OE2 GLU A 36 -8.038 -3.717 -12.727 1.00 2.32 O ATOM 0 H GLU A 36 -7.304 -4.287 -9.532 1.00 41.21 H new ATOM 0 HA GLU A 36 -5.884 -2.327 -11.034 1.00 74.01 H new ATOM 0 HB2 GLU A 36 -7.975 -1.879 -8.871 1.00 13.14 H new ATOM 0 HB3 GLU A 36 -7.588 -0.824 -10.215 1.00 13.14 H new ATOM 0 HG2 GLU A 36 -8.966 -3.535 -10.373 1.00 72.04 H new ATOM 0 HG3 GLU A 36 -9.705 -1.968 -10.636 1.00 72.04 H new ATOM 562 N LEU A 37 -5.308 -2.555 -7.793 1.00 4.00 N ATOM 563 CA LEU A 37 -4.405 -2.201 -6.688 1.00 33.02 C ATOM 564 C LEU A 37 -2.947 -2.558 -7.041 1.00 5.45 C ATOM 565 O LEU A 37 -2.040 -1.771 -6.789 1.00 71.13 O ATOM 566 CB LEU A 37 -4.835 -2.921 -5.381 1.00 3.10 C ATOM 567 CG LEU A 37 -4.005 -2.571 -4.107 1.00 64.25 C ATOM 568 CD1 LEU A 37 -4.099 -1.074 -3.752 1.00 64.31 C ATOM 569 CD2 LEU A 37 -4.397 -3.469 -2.917 1.00 62.44 C ATOM 0 H LEU A 37 -5.953 -3.310 -7.562 1.00 4.00 H new ATOM 0 HA LEU A 37 -4.468 -1.125 -6.528 1.00 33.02 H new ATOM 0 HB2 LEU A 37 -5.881 -2.685 -5.186 1.00 3.10 H new ATOM 0 HB3 LEU A 37 -4.776 -3.997 -5.545 1.00 3.10 H new ATOM 0 HG LEU A 37 -2.959 -2.774 -4.336 1.00 64.25 H new ATOM 0 HD11 LEU A 37 -3.507 -0.874 -2.859 1.00 64.31 H new ATOM 0 HD12 LEU A 37 -3.717 -0.479 -4.581 1.00 64.31 H new ATOM 0 HD13 LEU A 37 -5.140 -0.809 -3.564 1.00 64.31 H new ATOM 0 HD21 LEU A 37 -3.800 -3.199 -2.046 1.00 62.44 H new ATOM 0 HD22 LEU A 37 -5.454 -3.331 -2.690 1.00 62.44 H new ATOM 0 HD23 LEU A 37 -4.214 -4.513 -3.173 1.00 62.44 H new ATOM 581 N GLN A 38 -2.749 -3.743 -7.652 1.00 64.10 N ATOM 582 CA GLN A 38 -1.410 -4.235 -8.054 1.00 32.25 C ATOM 583 C GLN A 38 -0.747 -3.297 -9.090 1.00 12.30 C ATOM 584 O GLN A 38 0.484 -3.165 -9.115 1.00 43.11 O ATOM 585 CB GLN A 38 -1.507 -5.681 -8.610 1.00 55.33 C ATOM 586 CG GLN A 38 -1.944 -6.735 -7.568 1.00 44.41 C ATOM 587 CD GLN A 38 -2.075 -8.146 -8.152 1.00 60.45 C ATOM 588 OE1 GLN A 38 -3.143 -8.548 -8.621 1.00 24.44 O ATOM 589 NE2 GLN A 38 -0.981 -8.902 -8.150 1.00 31.30 N ATOM 0 H GLN A 38 -3.507 -4.386 -7.881 1.00 64.10 H new ATOM 0 HA GLN A 38 -0.779 -4.243 -7.165 1.00 32.25 H new ATOM 0 HB2 GLN A 38 -2.214 -5.692 -9.439 1.00 55.33 H new ATOM 0 HB3 GLN A 38 -0.536 -5.968 -9.015 1.00 55.33 H new ATOM 0 HG2 GLN A 38 -1.220 -6.752 -6.753 1.00 44.41 H new ATOM 0 HG3 GLN A 38 -2.900 -6.437 -7.139 1.00 44.41 H new ATOM 0 HE21 GLN A 38 -0.113 -8.541 -7.755 1.00 31.30 H new ATOM 0 HE22 GLN A 38 -1.010 -9.843 -8.544 1.00 31.30 H new ATOM 598 N LYS A 39 -1.579 -2.640 -9.921 1.00 60.42 N ATOM 599 CA LYS A 39 -1.114 -1.678 -10.934 1.00 60.04 C ATOM 600 C LYS A 39 -0.707 -0.350 -10.281 1.00 31.41 C ATOM 601 O LYS A 39 0.401 0.151 -10.530 1.00 21.13 O ATOM 602 CB LYS A 39 -2.204 -1.439 -12.012 1.00 65.22 C ATOM 603 CG LYS A 39 -2.488 -2.666 -12.912 1.00 70.24 C ATOM 604 CD LYS A 39 -3.547 -2.374 -14.004 1.00 32.12 C ATOM 605 CE LYS A 39 -4.917 -2.010 -13.412 1.00 54.32 C ATOM 606 NZ LYS A 39 -5.942 -1.766 -14.461 1.00 44.13 N ATOM 0 H LYS A 39 -2.592 -2.762 -9.907 1.00 60.42 H new ATOM 0 HA LYS A 39 -0.237 -2.104 -11.421 1.00 60.04 H new ATOM 0 HB2 LYS A 39 -3.129 -1.144 -11.517 1.00 65.22 H new ATOM 0 HB3 LYS A 39 -1.899 -0.604 -12.642 1.00 65.22 H new ATOM 0 HG2 LYS A 39 -1.560 -2.985 -13.387 1.00 70.24 H new ATOM 0 HG3 LYS A 39 -2.830 -3.495 -12.292 1.00 70.24 H new ATOM 0 HD2 LYS A 39 -3.198 -1.556 -14.634 1.00 32.12 H new ATOM 0 HD3 LYS A 39 -3.653 -3.248 -14.646 1.00 32.12 H new ATOM 0 HE2 LYS A 39 -5.253 -2.816 -12.760 1.00 54.32 H new ATOM 0 HE3 LYS A 39 -4.817 -1.119 -12.792 1.00 54.32 H new ATOM 0 HZ1 LYS A 39 -6.864 -1.591 -14.012 1.00 44.13 H new ATOM 0 HZ2 LYS A 39 -5.669 -0.937 -15.027 1.00 44.13 H new ATOM 0 HZ3 LYS A 39 -6.011 -2.599 -15.079 1.00 44.13 H new ATOM 620 N VAL A 40 -1.602 0.214 -9.429 1.00 44.34 N ATOM 621 CA VAL A 40 -1.366 1.539 -8.814 1.00 71.01 C ATOM 622 C VAL A 40 -0.173 1.510 -7.856 1.00 33.22 C ATOM 623 O VAL A 40 0.556 2.475 -7.811 1.00 34.31 O ATOM 624 CB VAL A 40 -2.623 2.154 -8.083 1.00 33.22 C ATOM 625 CG1 VAL A 40 -3.774 2.379 -9.078 1.00 22.40 C ATOM 626 CG2 VAL A 40 -3.072 1.319 -6.861 1.00 52.01 C ATOM 0 H VAL A 40 -2.482 -0.225 -9.157 1.00 44.34 H new ATOM 0 HA VAL A 40 -1.146 2.195 -9.656 1.00 71.01 H new ATOM 0 HB VAL A 40 -2.323 3.124 -7.687 1.00 33.22 H new ATOM 0 HG11 VAL A 40 -4.630 2.803 -8.554 1.00 22.40 H new ATOM 0 HG12 VAL A 40 -3.450 3.066 -9.860 1.00 22.40 H new ATOM 0 HG13 VAL A 40 -4.058 1.427 -9.527 1.00 22.40 H new ATOM 0 HG21 VAL A 40 -3.940 1.789 -6.398 1.00 52.01 H new ATOM 0 HG22 VAL A 40 -3.335 0.312 -7.185 1.00 52.01 H new ATOM 0 HG23 VAL A 40 -2.258 1.267 -6.137 1.00 52.01 H new ATOM 636 N LEU A 41 0.024 0.383 -7.130 1.00 51.14 N ATOM 637 CA LEU A 41 1.134 0.224 -6.156 1.00 0.21 C ATOM 638 C LEU A 41 2.491 0.080 -6.856 1.00 64.03 C ATOM 639 O LEU A 41 3.509 0.547 -6.341 1.00 23.42 O ATOM 640 CB LEU A 41 0.904 -1.000 -5.229 1.00 3.12 C ATOM 641 CG LEU A 41 -0.286 -0.901 -4.234 1.00 72.33 C ATOM 642 CD1 LEU A 41 -0.382 -2.182 -3.378 1.00 50.13 C ATOM 643 CD2 LEU A 41 -0.190 0.374 -3.366 1.00 44.11 C ATOM 0 H LEU A 41 -0.578 -0.438 -7.201 1.00 51.14 H new ATOM 0 HA LEU A 41 1.147 1.132 -5.553 1.00 0.21 H new ATOM 0 HB2 LEU A 41 0.753 -1.879 -5.855 1.00 3.12 H new ATOM 0 HB3 LEU A 41 1.815 -1.170 -4.656 1.00 3.12 H new ATOM 0 HG LEU A 41 -1.209 -0.818 -4.808 1.00 72.33 H new ATOM 0 HD11 LEU A 41 -1.220 -2.096 -2.687 1.00 50.13 H new ATOM 0 HD12 LEU A 41 -0.535 -3.043 -4.028 1.00 50.13 H new ATOM 0 HD13 LEU A 41 0.541 -2.313 -2.814 1.00 50.13 H new ATOM 0 HD21 LEU A 41 -1.037 0.413 -2.681 1.00 44.11 H new ATOM 0 HD22 LEU A 41 0.738 0.356 -2.795 1.00 44.11 H new ATOM 0 HD23 LEU A 41 -0.203 1.254 -4.009 1.00 44.11 H new ATOM 655 N ASN A 42 2.487 -0.585 -8.021 1.00 71.33 N ATOM 656 CA ASN A 42 3.703 -0.799 -8.832 1.00 72.12 C ATOM 657 C ASN A 42 4.217 0.560 -9.363 1.00 3.43 C ATOM 658 O ASN A 42 5.420 0.843 -9.354 1.00 24.23 O ATOM 659 CB ASN A 42 3.387 -1.786 -9.992 1.00 53.14 C ATOM 660 CG ASN A 42 4.610 -2.226 -10.800 1.00 4.14 C ATOM 661 OD1 ASN A 42 5.735 -2.262 -10.296 1.00 12.13 O ATOM 662 ND2 ASN A 42 4.393 -2.599 -12.054 1.00 64.42 N ATOM 0 H ASN A 42 1.645 -0.990 -8.430 1.00 71.33 H new ATOM 0 HA ASN A 42 4.490 -1.240 -8.220 1.00 72.12 H new ATOM 0 HB2 ASN A 42 2.903 -2.671 -9.578 1.00 53.14 H new ATOM 0 HB3 ASN A 42 2.671 -1.317 -10.667 1.00 53.14 H new ATOM 0 HD21 ASN A 42 5.168 -2.927 -12.630 1.00 64.42 H new ATOM 0 HD22 ASN A 42 3.451 -2.558 -12.443 1.00 64.42 H new ATOM 669 N GLU A 43 3.257 1.402 -9.769 1.00 71.41 N ATOM 670 CA GLU A 43 3.491 2.763 -10.278 1.00 50.20 C ATOM 671 C GLU A 43 3.824 3.735 -9.110 1.00 11.43 C ATOM 672 O GLU A 43 4.672 4.622 -9.237 1.00 20.33 O ATOM 673 CB GLU A 43 2.206 3.205 -11.016 1.00 30.53 C ATOM 674 CG GLU A 43 2.284 4.564 -11.718 1.00 72.52 C ATOM 675 CD GLU A 43 0.939 4.983 -12.318 1.00 55.23 C ATOM 676 OE1 GLU A 43 0.663 4.643 -13.492 1.00 11.24 O ATOM 677 OE2 GLU A 43 0.135 5.623 -11.608 1.00 64.42 O ATOM 0 H GLU A 43 2.269 1.150 -9.753 1.00 71.41 H new ATOM 0 HA GLU A 43 4.343 2.778 -10.958 1.00 50.20 H new ATOM 0 HB2 GLU A 43 1.954 2.447 -11.757 1.00 30.53 H new ATOM 0 HB3 GLU A 43 1.387 3.233 -10.298 1.00 30.53 H new ATOM 0 HG2 GLU A 43 2.614 5.320 -11.006 1.00 72.52 H new ATOM 0 HG3 GLU A 43 3.034 4.521 -12.507 1.00 72.52 H new ATOM 684 N LEU A 44 3.149 3.503 -7.971 1.00 34.02 N ATOM 685 CA LEU A 44 3.278 4.287 -6.712 1.00 22.20 C ATOM 686 C LEU A 44 4.671 4.112 -6.109 1.00 11.50 C ATOM 687 O LEU A 44 5.205 5.028 -5.490 1.00 73.10 O ATOM 688 CB LEU A 44 2.162 3.804 -5.737 1.00 23.42 C ATOM 689 CG LEU A 44 2.099 4.347 -4.263 1.00 34.43 C ATOM 690 CD1 LEU A 44 0.640 4.335 -3.756 1.00 15.51 C ATOM 691 CD2 LEU A 44 2.996 3.523 -3.292 1.00 63.10 C ATOM 0 H LEU A 44 2.475 2.742 -7.890 1.00 34.02 H new ATOM 0 HA LEU A 44 3.156 5.352 -6.907 1.00 22.20 H new ATOM 0 HB2 LEU A 44 1.205 4.033 -6.205 1.00 23.42 H new ATOM 0 HB3 LEU A 44 2.236 2.718 -5.677 1.00 23.42 H new ATOM 0 HG LEU A 44 2.479 5.368 -4.279 1.00 34.43 H new ATOM 0 HD11 LEU A 44 0.607 4.713 -2.734 1.00 15.51 H new ATOM 0 HD12 LEU A 44 0.027 4.968 -4.397 1.00 15.51 H new ATOM 0 HD13 LEU A 44 0.255 3.315 -3.778 1.00 15.51 H new ATOM 0 HD21 LEU A 44 2.919 3.936 -2.286 1.00 63.10 H new ATOM 0 HD22 LEU A 44 2.665 2.485 -3.284 1.00 63.10 H new ATOM 0 HD23 LEU A 44 4.033 3.571 -3.625 1.00 63.10 H new ATOM 703 N LYS A 45 5.218 2.907 -6.288 1.00 43.51 N ATOM 704 CA LYS A 45 6.585 2.551 -5.895 1.00 20.50 C ATOM 705 C LYS A 45 7.602 3.441 -6.631 1.00 64.02 C ATOM 706 O LYS A 45 8.509 3.999 -6.014 1.00 3.34 O ATOM 707 CB LYS A 45 6.814 1.061 -6.242 1.00 21.32 C ATOM 708 CG LYS A 45 8.239 0.526 -5.989 1.00 51.21 C ATOM 709 CD LYS A 45 8.433 -0.902 -6.557 1.00 53.43 C ATOM 710 CE LYS A 45 8.120 -0.974 -8.065 1.00 41.01 C ATOM 711 NZ LYS A 45 8.355 -2.334 -8.622 1.00 32.21 N ATOM 0 H LYS A 45 4.712 2.134 -6.720 1.00 43.51 H new ATOM 0 HA LYS A 45 6.721 2.708 -4.825 1.00 20.50 H new ATOM 0 HB2 LYS A 45 6.112 0.460 -5.663 1.00 21.32 H new ATOM 0 HB3 LYS A 45 6.571 0.910 -7.294 1.00 21.32 H new ATOM 0 HG2 LYS A 45 8.965 1.199 -6.445 1.00 51.21 H new ATOM 0 HG3 LYS A 45 8.439 0.520 -4.918 1.00 51.21 H new ATOM 0 HD2 LYS A 45 9.460 -1.224 -6.385 1.00 53.43 H new ATOM 0 HD3 LYS A 45 7.787 -1.596 -6.020 1.00 53.43 H new ATOM 0 HE2 LYS A 45 7.082 -0.688 -8.233 1.00 41.01 H new ATOM 0 HE3 LYS A 45 8.739 -0.253 -8.598 1.00 41.01 H new ATOM 0 HZ1 LYS A 45 7.574 -2.587 -9.261 1.00 32.21 H new ATOM 0 HZ2 LYS A 45 9.251 -2.343 -9.150 1.00 32.21 H new ATOM 0 HZ3 LYS A 45 8.404 -3.024 -7.845 1.00 32.21 H new ATOM 725 N ASP A 46 7.391 3.583 -7.957 1.00 2.30 N ATOM 726 CA ASP A 46 8.250 4.387 -8.855 1.00 43.12 C ATOM 727 C ASP A 46 8.192 5.883 -8.478 1.00 4.31 C ATOM 728 O ASP A 46 9.179 6.614 -8.616 1.00 65.52 O ATOM 729 CB ASP A 46 7.801 4.181 -10.332 1.00 23.35 C ATOM 730 CG ASP A 46 8.727 4.867 -11.358 1.00 4.41 C ATOM 731 OD1 ASP A 46 9.849 4.361 -11.586 1.00 22.14 O ATOM 732 OD2 ASP A 46 8.339 5.891 -11.959 1.00 45.04 O ATOM 0 H ASP A 46 6.611 3.138 -8.440 1.00 2.30 H new ATOM 0 HA ASP A 46 9.282 4.053 -8.744 1.00 43.12 H new ATOM 0 HB2 ASP A 46 7.763 3.113 -10.546 1.00 23.35 H new ATOM 0 HB3 ASP A 46 6.789 4.567 -10.453 1.00 23.35 H new ATOM 737 N TYR A 47 7.023 6.312 -7.987 1.00 0.33 N ATOM 738 CA TYR A 47 6.781 7.696 -7.559 1.00 4.21 C ATOM 739 C TYR A 47 7.471 8.008 -6.213 1.00 11.44 C ATOM 740 O TYR A 47 8.288 8.923 -6.131 1.00 23.55 O ATOM 741 CB TYR A 47 5.259 7.958 -7.452 1.00 23.45 C ATOM 742 CG TYR A 47 4.523 8.098 -8.791 1.00 44.50 C ATOM 743 CD1 TYR A 47 5.116 8.761 -9.868 1.00 72.20 C ATOM 744 CD2 TYR A 47 3.225 7.607 -8.967 1.00 34.11 C ATOM 745 CE1 TYR A 47 4.455 8.918 -11.066 1.00 33.11 C ATOM 746 CE2 TYR A 47 2.559 7.770 -10.166 1.00 2.14 C ATOM 747 CZ TYR A 47 3.179 8.425 -11.212 1.00 51.44 C ATOM 748 OH TYR A 47 2.520 8.594 -12.409 1.00 53.54 O ATOM 0 H TYR A 47 6.212 5.704 -7.875 1.00 0.33 H new ATOM 0 HA TYR A 47 7.211 8.357 -8.311 1.00 4.21 H new ATOM 0 HB2 TYR A 47 4.805 7.142 -6.890 1.00 23.45 H new ATOM 0 HB3 TYR A 47 5.103 8.869 -6.873 1.00 23.45 H new ATOM 0 HD1 TYR A 47 6.114 9.159 -9.759 1.00 72.20 H new ATOM 0 HD2 TYR A 47 2.736 7.093 -8.153 1.00 34.11 H new ATOM 0 HE1 TYR A 47 4.937 9.426 -11.888 1.00 33.11 H new ATOM 0 HE2 TYR A 47 1.556 7.386 -10.285 1.00 2.14 H new ATOM 0 HH TYR A 47 1.630 8.189 -12.352 1.00 53.54 H new ATOM 758 N ILE A 48 7.126 7.213 -5.179 1.00 70.35 N ATOM 759 CA ILE A 48 7.607 7.387 -3.786 1.00 11.34 C ATOM 760 C ILE A 48 9.132 7.159 -3.675 1.00 74.24 C ATOM 761 O ILE A 48 9.782 7.645 -2.750 1.00 52.32 O ATOM 762 CB ILE A 48 6.786 6.457 -2.799 1.00 54.55 C ATOM 763 CG1 ILE A 48 5.308 6.971 -2.702 1.00 51.22 C ATOM 764 CG2 ILE A 48 7.430 6.337 -1.398 1.00 31.22 C ATOM 765 CD1 ILE A 48 4.473 6.377 -1.579 1.00 2.02 C ATOM 0 H ILE A 48 6.495 6.418 -5.287 1.00 70.35 H new ATOM 0 HA ILE A 48 7.432 8.421 -3.489 1.00 11.34 H new ATOM 0 HB ILE A 48 6.796 5.449 -3.215 1.00 54.55 H new ATOM 0 HG12 ILE A 48 5.327 8.054 -2.581 1.00 51.22 H new ATOM 0 HG13 ILE A 48 4.809 6.765 -3.649 1.00 51.22 H new ATOM 0 HG21 ILE A 48 6.819 5.687 -0.771 1.00 31.22 H new ATOM 0 HG22 ILE A 48 8.430 5.914 -1.492 1.00 31.22 H new ATOM 0 HG23 ILE A 48 7.495 7.325 -0.942 1.00 31.22 H new ATOM 0 HD11 ILE A 48 3.470 6.803 -1.607 1.00 2.02 H new ATOM 0 HD12 ILE A 48 4.411 5.296 -1.704 1.00 2.02 H new ATOM 0 HD13 ILE A 48 4.938 6.605 -0.620 1.00 2.02 H new ATOM 777 N LYS A 49 9.679 6.422 -4.644 1.00 51.31 N ATOM 778 CA LYS A 49 11.130 6.305 -4.865 1.00 22.13 C ATOM 779 C LYS A 49 11.783 7.710 -4.965 1.00 13.42 C ATOM 780 O LYS A 49 12.780 7.999 -4.299 1.00 71.10 O ATOM 781 CB LYS A 49 11.345 5.520 -6.179 1.00 54.11 C ATOM 782 CG LYS A 49 12.810 5.252 -6.571 1.00 31.22 C ATOM 783 CD LYS A 49 12.930 4.633 -7.992 1.00 64.11 C ATOM 784 CE LYS A 49 12.255 5.510 -9.064 1.00 61.10 C ATOM 785 NZ LYS A 49 12.344 4.923 -10.427 1.00 13.23 N ATOM 0 H LYS A 49 9.124 5.882 -5.308 1.00 51.31 H new ATOM 0 HA LYS A 49 11.596 5.784 -4.029 1.00 22.13 H new ATOM 0 HB2 LYS A 49 10.831 4.563 -6.096 1.00 54.11 H new ATOM 0 HB3 LYS A 49 10.867 6.069 -6.990 1.00 54.11 H new ATOM 0 HG2 LYS A 49 13.372 6.185 -6.534 1.00 31.22 H new ATOM 0 HG3 LYS A 49 13.262 4.579 -5.843 1.00 31.22 H new ATOM 0 HD2 LYS A 49 13.983 4.501 -8.242 1.00 64.11 H new ATOM 0 HD3 LYS A 49 12.475 3.642 -7.995 1.00 64.11 H new ATOM 0 HE2 LYS A 49 11.207 5.653 -8.803 1.00 61.10 H new ATOM 0 HE3 LYS A 49 12.720 6.496 -9.067 1.00 61.10 H new ATOM 0 HZ1 LYS A 49 12.897 5.554 -11.041 1.00 13.23 H new ATOM 0 HZ2 LYS A 49 12.810 3.995 -10.375 1.00 13.23 H new ATOM 0 HZ3 LYS A 49 11.387 4.809 -10.819 1.00 13.23 H new ATOM 799 N LYS A 50 11.166 8.567 -5.798 1.00 34.41 N ATOM 800 CA LYS A 50 11.643 9.932 -6.093 1.00 61.32 C ATOM 801 C LYS A 50 11.110 10.957 -5.055 1.00 3.53 C ATOM 802 O LYS A 50 11.760 11.971 -4.783 1.00 63.05 O ATOM 803 CB LYS A 50 11.211 10.308 -7.536 1.00 15.33 C ATOM 804 CG LYS A 50 11.753 11.660 -8.055 1.00 43.34 C ATOM 805 CD LYS A 50 11.424 11.914 -9.544 1.00 11.22 C ATOM 806 CE LYS A 50 9.912 11.907 -9.840 1.00 43.42 C ATOM 807 NZ LYS A 50 9.172 12.953 -9.076 1.00 61.34 N ATOM 0 H LYS A 50 10.307 8.327 -6.294 1.00 34.41 H new ATOM 0 HA LYS A 50 12.730 9.958 -6.023 1.00 61.32 H new ATOM 0 HB2 LYS A 50 11.539 9.519 -8.213 1.00 15.33 H new ATOM 0 HB3 LYS A 50 10.122 10.331 -7.578 1.00 15.33 H new ATOM 0 HG2 LYS A 50 11.335 12.467 -7.454 1.00 43.34 H new ATOM 0 HG3 LYS A 50 12.834 11.688 -7.918 1.00 43.34 H new ATOM 0 HD2 LYS A 50 11.842 12.875 -9.843 1.00 11.22 H new ATOM 0 HD3 LYS A 50 11.911 11.152 -10.152 1.00 11.22 H new ATOM 0 HE2 LYS A 50 9.754 12.062 -10.907 1.00 43.42 H new ATOM 0 HE3 LYS A 50 9.503 10.927 -9.596 1.00 43.42 H new ATOM 0 HZ1 LYS A 50 8.163 12.916 -9.325 1.00 61.34 H new ATOM 0 HZ2 LYS A 50 9.284 12.782 -8.056 1.00 61.34 H new ATOM 0 HZ3 LYS A 50 9.553 13.891 -9.314 1.00 61.34 H new ATOM 821 N GLN A 51 9.926 10.677 -4.478 1.00 61.04 N ATOM 822 CA GLN A 51 9.277 11.548 -3.464 1.00 63.12 C ATOM 823 C GLN A 51 9.950 11.409 -2.088 1.00 14.32 C ATOM 824 O GLN A 51 10.011 12.374 -1.310 1.00 42.31 O ATOM 825 CB GLN A 51 7.775 11.199 -3.340 1.00 11.04 C ATOM 826 CG GLN A 51 6.920 11.542 -4.573 1.00 34.35 C ATOM 827 CD GLN A 51 6.760 13.046 -4.814 1.00 54.25 C ATOM 828 OE1 GLN A 51 6.791 13.854 -3.881 1.00 32.40 O ATOM 829 NE2 GLN A 51 6.542 13.437 -6.059 1.00 34.14 N ATOM 0 H GLN A 51 9.387 9.840 -4.698 1.00 61.04 H new ATOM 0 HA GLN A 51 9.387 12.580 -3.798 1.00 63.12 H new ATOM 0 HB2 GLN A 51 7.682 10.132 -3.138 1.00 11.04 H new ATOM 0 HB3 GLN A 51 7.366 11.724 -2.477 1.00 11.04 H new ATOM 0 HG2 GLN A 51 7.372 11.088 -5.455 1.00 34.35 H new ATOM 0 HG3 GLN A 51 5.933 11.095 -4.455 1.00 34.35 H new ATOM 0 HE21 GLN A 51 6.521 12.750 -6.813 1.00 34.14 H new ATOM 0 HE22 GLN A 51 6.395 14.425 -6.265 1.00 34.14 H new ATOM 838 N GLY A 52 10.443 10.198 -1.810 1.00 52.03 N ATOM 839 CA GLY A 52 11.044 9.864 -0.528 1.00 12.31 C ATOM 840 C GLY A 52 12.493 10.299 -0.455 1.00 65.12 C ATOM 841 O GLY A 52 13.403 9.478 -0.608 1.00 21.03 O ATOM 0 H GLY A 52 10.433 9.424 -2.474 1.00 52.03 H new ATOM 0 HA2 GLY A 52 10.480 10.342 0.273 1.00 12.31 H new ATOM 0 HA3 GLY A 52 10.979 8.788 -0.365 1.00 12.31 H new ATOM 845 N CYS A 53 12.701 11.613 -0.281 1.00 2.41 N ATOM 846 CA CYS A 53 14.026 12.191 -0.027 1.00 62.24 C ATOM 847 C CYS A 53 14.370 12.002 1.454 1.00 33.31 C ATOM 848 O CYS A 53 15.402 11.410 1.792 1.00 75.15 O ATOM 849 CB CYS A 53 14.028 13.685 -0.413 1.00 75.12 C ATOM 850 SG CYS A 53 12.686 14.628 0.331 1.00 52.35 S ATOM 0 H CYS A 53 11.952 12.305 -0.313 1.00 2.41 H new ATOM 0 HA CYS A 53 14.780 11.688 -0.632 1.00 62.24 H new ATOM 0 HB2 CYS A 53 14.979 14.127 -0.115 1.00 75.12 H new ATOM 0 HB3 CYS A 53 13.963 13.771 -1.498 1.00 75.12 H new ATOM 0 HG CYS A 53 12.767 15.870 -0.046 1.00 52.35 H new ATOM 856 N LYS A 54 13.475 12.498 2.333 1.00 3.21 N ATOM 857 CA LYS A 54 13.598 12.327 3.784 1.00 61.14 C ATOM 858 C LYS A 54 12.915 11.021 4.202 1.00 61.11 C ATOM 859 O LYS A 54 13.583 10.036 4.547 1.00 42.12 O ATOM 860 CB LYS A 54 12.970 13.526 4.547 1.00 41.20 C ATOM 861 CG LYS A 54 13.542 14.908 4.177 1.00 2.32 C ATOM 862 CD LYS A 54 13.005 16.038 5.091 1.00 53.50 C ATOM 863 CE LYS A 54 11.479 16.185 5.044 1.00 64.21 C ATOM 864 NZ LYS A 54 11.002 17.273 5.943 1.00 3.35 N ATOM 0 H LYS A 54 12.650 13.027 2.051 1.00 3.21 H new ATOM 0 HA LYS A 54 14.657 12.286 4.040 1.00 61.14 H new ATOM 0 HB2 LYS A 54 11.896 13.533 4.361 1.00 41.20 H new ATOM 0 HB3 LYS A 54 13.107 13.368 5.617 1.00 41.20 H new ATOM 0 HG2 LYS A 54 14.629 14.877 4.244 1.00 2.32 H new ATOM 0 HG3 LYS A 54 13.293 15.135 3.140 1.00 2.32 H new ATOM 0 HD2 LYS A 54 13.312 15.841 6.118 1.00 53.50 H new ATOM 0 HD3 LYS A 54 13.463 16.982 4.796 1.00 53.50 H new ATOM 0 HE2 LYS A 54 11.165 16.394 4.021 1.00 64.21 H new ATOM 0 HE3 LYS A 54 11.014 15.243 5.334 1.00 64.21 H new ATOM 0 HZ1 LYS A 54 9.966 17.342 5.885 1.00 3.35 H new ATOM 0 HZ2 LYS A 54 11.280 17.061 6.922 1.00 3.35 H new ATOM 0 HZ3 LYS A 54 11.427 18.176 5.650 1.00 3.35 H new ATOM 878 N ARG A 55 11.572 11.004 4.111 1.00 4.12 N ATOM 879 CA ARG A 55 10.756 9.898 4.628 1.00 4.23 C ATOM 880 C ARG A 55 9.449 9.780 3.819 1.00 13.43 C ATOM 881 O ARG A 55 9.018 10.749 3.176 1.00 13.14 O ATOM 882 CB ARG A 55 10.478 10.122 6.153 1.00 11.42 C ATOM 883 CG ARG A 55 9.941 8.885 6.907 1.00 21.24 C ATOM 884 CD ARG A 55 10.915 7.695 6.797 1.00 12.12 C ATOM 885 NE ARG A 55 10.442 6.525 7.527 1.00 2.52 N ATOM 886 CZ ARG A 55 10.710 5.253 7.218 1.00 13.35 C ATOM 887 NH1 ARG A 55 11.460 4.926 6.159 1.00 44.42 N ATOM 888 NH2 ARG A 55 10.211 4.311 7.988 1.00 65.11 N ATOM 0 H ARG A 55 11.029 11.752 3.680 1.00 4.12 H new ATOM 0 HA ARG A 55 11.295 8.957 4.517 1.00 4.23 H new ATOM 0 HB2 ARG A 55 11.402 10.448 6.631 1.00 11.42 H new ATOM 0 HB3 ARG A 55 9.760 10.935 6.261 1.00 11.42 H new ATOM 0 HG2 ARG A 55 9.786 9.135 7.957 1.00 21.24 H new ATOM 0 HG3 ARG A 55 8.970 8.602 6.500 1.00 21.24 H new ATOM 0 HD2 ARG A 55 11.051 7.435 5.747 1.00 12.12 H new ATOM 0 HD3 ARG A 55 11.891 7.990 7.181 1.00 12.12 H new ATOM 0 HE ARG A 55 9.856 6.692 8.345 1.00 2.52 H new ATOM 0 HH11 ARG A 55 11.845 5.657 5.561 1.00 44.42 H new ATOM 0 HH12 ARG A 55 11.647 3.945 5.950 1.00 44.42 H new ATOM 0 HH21 ARG A 55 9.638 4.561 8.794 1.00 65.11 H new ATOM 0 HH22 ARG A 55 10.397 3.330 7.779 1.00 65.11 H new ATOM 902 N SER A 56 8.850 8.585 3.834 1.00 54.01 N ATOM 903 CA SER A 56 7.591 8.302 3.141 1.00 31.44 C ATOM 904 C SER A 56 6.673 7.424 4.014 1.00 72.32 C ATOM 905 O SER A 56 7.146 6.693 4.893 1.00 72.31 O ATOM 906 CB SER A 56 7.893 7.636 1.786 1.00 34.24 C ATOM 907 OG SER A 56 8.638 6.438 1.944 1.00 61.15 O ATOM 0 H SER A 56 9.230 7.780 4.332 1.00 54.01 H new ATOM 0 HA SER A 56 7.060 9.236 2.957 1.00 31.44 H new ATOM 0 HB2 SER A 56 6.957 7.417 1.271 1.00 34.24 H new ATOM 0 HB3 SER A 56 8.449 8.330 1.155 1.00 34.24 H new ATOM 0 HG SER A 56 8.024 5.677 2.009 1.00 61.15 H new ATOM 913 N ARG A 57 5.362 7.535 3.758 1.00 64.02 N ATOM 914 CA ARG A 57 4.300 6.797 4.464 1.00 74.41 C ATOM 915 C ARG A 57 3.256 6.338 3.437 1.00 31.23 C ATOM 916 O ARG A 57 2.912 7.091 2.522 1.00 64.30 O ATOM 917 CB ARG A 57 3.652 7.720 5.535 1.00 72.54 C ATOM 918 CG ARG A 57 2.461 7.109 6.314 1.00 14.32 C ATOM 919 CD ARG A 57 1.981 8.018 7.465 1.00 5.22 C ATOM 920 NE ARG A 57 3.020 8.198 8.496 1.00 25.20 N ATOM 921 CZ ARG A 57 2.790 8.497 9.792 1.00 30.13 C ATOM 922 NH1 ARG A 57 1.550 8.672 10.252 1.00 42.14 N ATOM 923 NH2 ARG A 57 3.811 8.599 10.629 1.00 64.14 N ATOM 0 H ARG A 57 4.999 8.157 3.035 1.00 64.02 H new ATOM 0 HA ARG A 57 4.713 5.924 4.969 1.00 74.41 H new ATOM 0 HB2 ARG A 57 4.421 8.010 6.251 1.00 72.54 H new ATOM 0 HB3 ARG A 57 3.312 8.632 5.045 1.00 72.54 H new ATOM 0 HG2 ARG A 57 1.634 6.931 5.627 1.00 14.32 H new ATOM 0 HG3 ARG A 57 2.754 6.140 6.718 1.00 14.32 H new ATOM 0 HD2 ARG A 57 1.696 8.991 7.064 1.00 5.22 H new ATOM 0 HD3 ARG A 57 1.089 7.587 7.920 1.00 5.22 H new ATOM 0 HE ARG A 57 3.992 8.088 8.206 1.00 25.20 H new ATOM 0 HH11 ARG A 57 0.754 8.580 9.621 1.00 42.14 H new ATOM 0 HH12 ARG A 57 1.398 8.897 11.235 1.00 42.14 H new ATOM 0 HH21 ARG A 57 4.763 8.452 10.293 1.00 64.14 H new ATOM 0 HH22 ARG A 57 3.646 8.825 11.610 1.00 64.14 H new ATOM 937 N THR A 58 2.787 5.086 3.558 1.00 72.11 N ATOM 938 CA THR A 58 1.701 4.540 2.717 1.00 23.32 C ATOM 939 C THR A 58 0.751 3.703 3.581 1.00 21.10 C ATOM 940 O THR A 58 1.189 2.994 4.489 1.00 55.23 O ATOM 941 CB THR A 58 2.257 3.677 1.536 1.00 31.30 C ATOM 942 OG1 THR A 58 3.168 4.466 0.756 1.00 22.04 O ATOM 943 CG2 THR A 58 1.138 3.141 0.613 1.00 33.23 C ATOM 0 H THR A 58 3.148 4.420 4.241 1.00 72.11 H new ATOM 0 HA THR A 58 1.159 5.379 2.281 1.00 23.32 H new ATOM 0 HB THR A 58 2.763 2.817 1.975 1.00 31.30 H new ATOM 0 HG1 THR A 58 2.663 5.021 0.125 1.00 22.04 H new ATOM 0 HG21 THR A 58 1.580 2.549 -0.189 1.00 33.23 H new ATOM 0 HG22 THR A 58 0.457 2.517 1.192 1.00 33.23 H new ATOM 0 HG23 THR A 58 0.587 3.978 0.185 1.00 33.23 H new ATOM 951 N SER A 59 -0.545 3.788 3.263 1.00 24.04 N ATOM 952 CA SER A 59 -1.615 3.110 3.988 1.00 42.23 C ATOM 953 C SER A 59 -2.709 2.680 2.992 1.00 35.20 C ATOM 954 O SER A 59 -3.271 3.516 2.287 1.00 41.24 O ATOM 955 CB SER A 59 -2.165 4.062 5.077 1.00 73.35 C ATOM 956 OG SER A 59 -2.510 5.331 4.542 1.00 71.14 O ATOM 0 H SER A 59 -0.882 4.343 2.477 1.00 24.04 H new ATOM 0 HA SER A 59 -1.242 2.212 4.481 1.00 42.23 H new ATOM 0 HB2 SER A 59 -3.042 3.613 5.543 1.00 73.35 H new ATOM 0 HB3 SER A 59 -1.418 4.189 5.860 1.00 73.35 H new ATOM 0 HG SER A 59 -2.172 5.402 3.625 1.00 71.14 H new ATOM 962 N ILE A 60 -2.980 1.369 2.932 1.00 1.32 N ATOM 963 CA ILE A 60 -3.922 0.749 1.973 1.00 3.11 C ATOM 964 C ILE A 60 -5.145 0.213 2.738 1.00 71.40 C ATOM 965 O ILE A 60 -4.995 -0.236 3.869 1.00 24.33 O ATOM 966 CB ILE A 60 -3.211 -0.445 1.225 1.00 61.54 C ATOM 967 CG1 ILE A 60 -1.890 0.040 0.563 1.00 12.43 C ATOM 968 CG2 ILE A 60 -4.139 -1.127 0.189 1.00 62.20 C ATOM 969 CD1 ILE A 60 -1.065 -1.063 -0.073 1.00 2.31 C ATOM 0 H ILE A 60 -2.545 0.691 3.558 1.00 1.32 H new ATOM 0 HA ILE A 60 -4.239 1.494 1.244 1.00 3.11 H new ATOM 0 HB ILE A 60 -2.970 -1.201 1.972 1.00 61.54 H new ATOM 0 HG12 ILE A 60 -2.131 0.782 -0.198 1.00 12.43 H new ATOM 0 HG13 ILE A 60 -1.283 0.542 1.317 1.00 12.43 H new ATOM 0 HG21 ILE A 60 -3.603 -1.942 -0.298 1.00 62.20 H new ATOM 0 HG22 ILE A 60 -5.020 -1.523 0.695 1.00 62.20 H new ATOM 0 HG23 ILE A 60 -4.448 -0.397 -0.559 1.00 62.20 H new ATOM 0 HD11 ILE A 60 -0.162 -0.636 -0.510 1.00 2.31 H new ATOM 0 HD12 ILE A 60 -0.789 -1.795 0.686 1.00 2.31 H new ATOM 0 HD13 ILE A 60 -1.650 -1.551 -0.852 1.00 2.31 H new ATOM 981 N THR A 61 -6.344 0.251 2.124 1.00 55.41 N ATOM 982 CA THR A 61 -7.557 -0.313 2.732 1.00 71.04 C ATOM 983 C THR A 61 -7.491 -1.852 2.714 1.00 33.42 C ATOM 984 O THR A 61 -7.337 -2.474 1.656 1.00 61.41 O ATOM 985 CB THR A 61 -8.854 0.177 2.018 1.00 53.14 C ATOM 986 OG1 THR A 61 -8.912 1.609 2.060 1.00 41.42 O ATOM 987 CG2 THR A 61 -10.136 -0.399 2.658 1.00 51.53 C ATOM 0 H THR A 61 -6.494 0.668 1.205 1.00 55.41 H new ATOM 0 HA THR A 61 -7.600 0.038 3.763 1.00 71.04 H new ATOM 0 HB THR A 61 -8.810 -0.179 0.989 1.00 53.14 H new ATOM 0 HG1 THR A 61 -8.158 1.982 1.557 1.00 41.42 H new ATOM 0 HG21 THR A 61 -11.009 -0.026 2.123 1.00 51.53 H new ATOM 0 HG22 THR A 61 -10.113 -1.487 2.602 1.00 51.53 H new ATOM 0 HG23 THR A 61 -10.192 -0.091 3.702 1.00 51.53 H new ATOM 995 N ALA A 62 -7.582 -2.423 3.913 1.00 44.15 N ATOM 996 CA ALA A 62 -7.567 -3.858 4.154 1.00 30.14 C ATOM 997 C ALA A 62 -8.395 -4.114 5.412 1.00 13.00 C ATOM 998 O ALA A 62 -7.893 -3.982 6.536 1.00 73.34 O ATOM 999 CB ALA A 62 -6.125 -4.345 4.309 1.00 61.11 C ATOM 0 H ALA A 62 -7.671 -1.878 4.771 1.00 44.15 H new ATOM 0 HA ALA A 62 -7.997 -4.409 3.318 1.00 30.14 H new ATOM 0 HB1 ALA A 62 -6.121 -5.420 4.489 1.00 61.11 H new ATOM 0 HB2 ALA A 62 -5.568 -4.128 3.398 1.00 61.11 H new ATOM 0 HB3 ALA A 62 -5.657 -3.834 5.151 1.00 61.11 H new ATOM 1005 N ARG A 63 -9.691 -4.400 5.205 1.00 3.05 N ATOM 1006 CA ARG A 63 -10.687 -4.433 6.285 1.00 33.21 C ATOM 1007 C ARG A 63 -10.541 -5.718 7.107 1.00 75.11 C ATOM 1008 O ARG A 63 -10.053 -5.693 8.237 1.00 3.10 O ATOM 1009 CB ARG A 63 -12.121 -4.305 5.704 1.00 5.02 C ATOM 1010 CG ARG A 63 -12.323 -3.104 4.755 1.00 32.44 C ATOM 1011 CD ARG A 63 -13.752 -3.048 4.177 1.00 22.33 C ATOM 1012 NE ARG A 63 -14.178 -4.359 3.668 1.00 21.42 N ATOM 1013 CZ ARG A 63 -13.884 -4.869 2.457 1.00 13.10 C ATOM 1014 NH1 ARG A 63 -13.168 -4.184 1.568 1.00 0.31 N ATOM 1015 NH2 ARG A 63 -14.305 -6.085 2.153 1.00 4.55 N ATOM 0 H ARG A 63 -10.076 -4.614 4.285 1.00 3.05 H new ATOM 0 HA ARG A 63 -10.513 -3.585 6.947 1.00 33.21 H new ATOM 0 HB2 ARG A 63 -12.365 -5.221 5.167 1.00 5.02 H new ATOM 0 HB3 ARG A 63 -12.828 -4.222 6.530 1.00 5.02 H new ATOM 0 HG2 ARG A 63 -12.115 -2.179 5.293 1.00 32.44 H new ATOM 0 HG3 ARG A 63 -11.605 -3.165 3.937 1.00 32.44 H new ATOM 0 HD2 ARG A 63 -14.445 -2.713 4.949 1.00 22.33 H new ATOM 0 HD3 ARG A 63 -13.792 -2.314 3.373 1.00 22.33 H new ATOM 0 HE ARG A 63 -14.748 -4.935 4.288 1.00 21.42 H new ATOM 0 HH11 ARG A 63 -12.828 -3.250 1.798 1.00 0.31 H new ATOM 0 HH12 ARG A 63 -12.959 -4.593 0.657 1.00 0.31 H new ATOM 0 HH21 ARG A 63 -14.844 -6.623 2.832 1.00 4.55 H new ATOM 0 HH22 ARG A 63 -14.091 -6.485 1.240 1.00 4.55 H new ATOM 1029 N THR A 64 -10.906 -6.846 6.498 1.00 72.40 N ATOM 1030 CA THR A 64 -10.942 -8.147 7.193 1.00 14.14 C ATOM 1031 C THR A 64 -9.522 -8.714 7.355 1.00 12.03 C ATOM 1032 O THR A 64 -8.585 -8.204 6.751 1.00 23.32 O ATOM 1033 CB THR A 64 -11.859 -9.165 6.436 1.00 31.42 C ATOM 1034 OG1 THR A 64 -11.331 -9.444 5.130 1.00 71.30 O ATOM 1035 CG2 THR A 64 -13.308 -8.647 6.308 1.00 21.05 C ATOM 0 H THR A 64 -11.184 -6.892 5.518 1.00 72.40 H new ATOM 0 HA THR A 64 -11.365 -7.987 8.185 1.00 14.14 H new ATOM 0 HB THR A 64 -11.876 -10.082 7.025 1.00 31.42 H new ATOM 0 HG1 THR A 64 -11.458 -8.663 4.552 1.00 71.30 H new ATOM 0 HG21 THR A 64 -13.912 -9.383 5.777 1.00 21.05 H new ATOM 0 HG22 THR A 64 -13.725 -8.484 7.302 1.00 21.05 H new ATOM 0 HG23 THR A 64 -13.311 -7.708 5.755 1.00 21.05 H new ATOM 1043 N LYS A 65 -9.396 -9.776 8.173 1.00 34.42 N ATOM 1044 CA LYS A 65 -8.105 -10.398 8.526 1.00 72.44 C ATOM 1045 C LYS A 65 -7.356 -10.905 7.281 1.00 12.02 C ATOM 1046 O LYS A 65 -6.130 -10.774 7.195 1.00 63.42 O ATOM 1047 CB LYS A 65 -8.333 -11.570 9.517 1.00 64.33 C ATOM 1048 CG LYS A 65 -7.037 -12.303 9.938 1.00 13.01 C ATOM 1049 CD LYS A 65 -7.271 -13.432 10.968 1.00 62.13 C ATOM 1050 CE LYS A 65 -8.078 -14.601 10.390 1.00 20.13 C ATOM 1051 NZ LYS A 65 -8.270 -15.685 11.390 1.00 0.24 N ATOM 0 H LYS A 65 -10.196 -10.231 8.612 1.00 34.42 H new ATOM 0 HA LYS A 65 -7.488 -9.633 8.998 1.00 72.44 H new ATOM 0 HB2 LYS A 65 -8.827 -11.186 10.410 1.00 64.33 H new ATOM 0 HB3 LYS A 65 -9.013 -12.290 9.061 1.00 64.33 H new ATOM 0 HG2 LYS A 65 -6.563 -12.724 9.051 1.00 13.01 H new ATOM 0 HG3 LYS A 65 -6.340 -11.578 10.358 1.00 13.01 H new ATOM 0 HD2 LYS A 65 -6.308 -13.800 11.323 1.00 62.13 H new ATOM 0 HD3 LYS A 65 -7.795 -13.026 11.833 1.00 62.13 H new ATOM 0 HE2 LYS A 65 -9.050 -14.241 10.053 1.00 20.13 H new ATOM 0 HE3 LYS A 65 -7.565 -15.000 9.515 1.00 20.13 H new ATOM 0 HZ1 LYS A 65 -8.820 -16.458 10.963 1.00 0.24 H new ATOM 0 HZ2 LYS A 65 -7.343 -16.046 11.693 1.00 0.24 H new ATOM 0 HZ3 LYS A 65 -8.782 -15.310 12.214 1.00 0.24 H new ATOM 1065 N LYS A 66 -8.117 -11.476 6.326 1.00 42.41 N ATOM 1066 CA LYS A 66 -7.565 -12.014 5.070 1.00 0.45 C ATOM 1067 C LYS A 66 -6.962 -10.881 4.229 1.00 11.32 C ATOM 1068 O LYS A 66 -5.818 -10.981 3.769 1.00 22.53 O ATOM 1069 CB LYS A 66 -8.658 -12.747 4.240 1.00 44.42 C ATOM 1070 CG LYS A 66 -9.460 -13.824 4.998 1.00 41.00 C ATOM 1071 CD LYS A 66 -10.440 -14.584 4.067 1.00 23.13 C ATOM 1072 CE LYS A 66 -11.340 -15.580 4.819 1.00 52.41 C ATOM 1073 NZ LYS A 66 -12.311 -14.897 5.715 1.00 52.42 N ATOM 0 H LYS A 66 -9.129 -11.576 6.405 1.00 42.41 H new ATOM 0 HA LYS A 66 -6.788 -12.732 5.330 1.00 0.45 H new ATOM 0 HB2 LYS A 66 -9.356 -12.004 3.855 1.00 44.42 H new ATOM 0 HB3 LYS A 66 -8.182 -13.214 3.378 1.00 44.42 H new ATOM 0 HG2 LYS A 66 -8.771 -14.534 5.455 1.00 41.00 H new ATOM 0 HG3 LYS A 66 -10.019 -13.356 5.808 1.00 41.00 H new ATOM 0 HD2 LYS A 66 -11.066 -13.862 3.543 1.00 23.13 H new ATOM 0 HD3 LYS A 66 -9.869 -15.121 3.309 1.00 23.13 H new ATOM 0 HE2 LYS A 66 -11.882 -16.192 4.098 1.00 52.41 H new ATOM 0 HE3 LYS A 66 -10.719 -16.255 5.407 1.00 52.41 H new ATOM 0 HZ1 LYS A 66 -12.951 -15.601 6.135 1.00 52.42 H new ATOM 0 HZ2 LYS A 66 -11.797 -14.402 6.471 1.00 52.42 H new ATOM 0 HZ3 LYS A 66 -12.866 -14.210 5.166 1.00 52.42 H new ATOM 1087 N GLU A 67 -7.751 -9.799 4.055 1.00 63.11 N ATOM 1088 CA GLU A 67 -7.325 -8.593 3.324 1.00 65.40 C ATOM 1089 C GLU A 67 -6.095 -7.954 3.994 1.00 30.23 C ATOM 1090 O GLU A 67 -5.141 -7.566 3.318 1.00 12.10 O ATOM 1091 CB GLU A 67 -8.483 -7.569 3.252 1.00 70.53 C ATOM 1092 CG GLU A 67 -9.721 -8.067 2.492 1.00 1.43 C ATOM 1093 CD GLU A 67 -10.833 -7.014 2.442 1.00 4.44 C ATOM 1094 OE1 GLU A 67 -11.540 -6.854 3.466 1.00 43.13 O ATOM 1095 OE2 GLU A 67 -10.989 -6.332 1.394 1.00 13.51 O ATOM 0 H GLU A 67 -8.702 -9.740 4.419 1.00 63.11 H new ATOM 0 HA GLU A 67 -7.052 -8.889 2.311 1.00 65.40 H new ATOM 0 HB2 GLU A 67 -8.778 -7.300 4.266 1.00 70.53 H new ATOM 0 HB3 GLU A 67 -8.119 -6.660 2.774 1.00 70.53 H new ATOM 0 HG2 GLU A 67 -9.436 -8.340 1.476 1.00 1.43 H new ATOM 0 HG3 GLU A 67 -10.100 -8.970 2.970 1.00 1.43 H new ATOM 1102 N ALA A 68 -6.134 -7.903 5.336 1.00 24.11 N ATOM 1103 CA ALA A 68 -5.085 -7.303 6.176 1.00 55.34 C ATOM 1104 C ALA A 68 -3.751 -8.024 5.995 1.00 55.54 C ATOM 1105 O ALA A 68 -2.700 -7.394 5.930 1.00 25.31 O ATOM 1106 CB ALA A 68 -5.510 -7.337 7.646 1.00 55.03 C ATOM 0 H ALA A 68 -6.910 -8.285 5.877 1.00 24.11 H new ATOM 0 HA ALA A 68 -4.951 -6.267 5.865 1.00 55.34 H new ATOM 0 HB1 ALA A 68 -4.728 -6.891 8.261 1.00 55.03 H new ATOM 0 HB2 ALA A 68 -6.435 -6.774 7.770 1.00 55.03 H new ATOM 0 HB3 ALA A 68 -5.670 -8.370 7.955 1.00 55.03 H new ATOM 1112 N GLU A 69 -3.830 -9.352 5.887 1.00 44.23 N ATOM 1113 CA GLU A 69 -2.671 -10.226 5.737 1.00 73.13 C ATOM 1114 C GLU A 69 -2.025 -10.042 4.343 1.00 55.13 C ATOM 1115 O GLU A 69 -0.822 -9.766 4.233 1.00 51.12 O ATOM 1116 CB GLU A 69 -3.132 -11.692 5.964 1.00 15.13 C ATOM 1117 CG GLU A 69 -2.023 -12.743 5.822 1.00 54.54 C ATOM 1118 CD GLU A 69 -2.487 -14.167 6.157 1.00 0.33 C ATOM 1119 OE1 GLU A 69 -3.193 -14.780 5.329 1.00 20.41 O ATOM 1120 OE2 GLU A 69 -2.148 -14.685 7.243 1.00 0.34 O ATOM 0 H GLU A 69 -4.717 -9.856 5.902 1.00 44.23 H new ATOM 0 HA GLU A 69 -1.910 -9.971 6.474 1.00 73.13 H new ATOM 0 HB2 GLU A 69 -3.564 -11.772 6.962 1.00 15.13 H new ATOM 0 HB3 GLU A 69 -3.926 -11.923 5.253 1.00 15.13 H new ATOM 0 HG2 GLU A 69 -1.643 -12.723 4.801 1.00 54.54 H new ATOM 0 HG3 GLU A 69 -1.193 -12.476 6.476 1.00 54.54 H new ATOM 1127 N LYS A 70 -2.863 -10.128 3.298 1.00 64.44 N ATOM 1128 CA LYS A 70 -2.400 -10.222 1.902 1.00 35.24 C ATOM 1129 C LYS A 70 -1.940 -8.856 1.333 1.00 14.10 C ATOM 1130 O LYS A 70 -0.910 -8.791 0.651 1.00 1.44 O ATOM 1131 CB LYS A 70 -3.506 -10.872 1.018 1.00 51.34 C ATOM 1132 CG LYS A 70 -4.805 -10.049 0.827 1.00 51.45 C ATOM 1133 CD LYS A 70 -5.928 -10.848 0.119 1.00 15.04 C ATOM 1134 CE LYS A 70 -5.488 -11.444 -1.232 1.00 14.25 C ATOM 1135 NZ LYS A 70 -4.962 -10.409 -2.166 1.00 10.05 N ATOM 0 H LYS A 70 -3.878 -10.134 3.395 1.00 64.44 H new ATOM 0 HA LYS A 70 -1.518 -10.862 1.887 1.00 35.24 H new ATOM 0 HB2 LYS A 70 -3.082 -11.075 0.035 1.00 51.34 H new ATOM 0 HB3 LYS A 70 -3.772 -11.834 1.456 1.00 51.34 H new ATOM 0 HG2 LYS A 70 -5.163 -9.714 1.801 1.00 51.45 H new ATOM 0 HG3 LYS A 70 -4.580 -9.155 0.245 1.00 51.45 H new ATOM 0 HD2 LYS A 70 -6.260 -11.654 0.774 1.00 15.04 H new ATOM 0 HD3 LYS A 70 -6.785 -10.194 -0.041 1.00 15.04 H new ATOM 0 HE2 LYS A 70 -4.720 -12.198 -1.060 1.00 14.25 H new ATOM 0 HE3 LYS A 70 -6.335 -11.951 -1.695 1.00 14.25 H new ATOM 0 HZ1 LYS A 70 -4.571 -10.871 -3.011 1.00 10.05 H new ATOM 0 HZ2 LYS A 70 -5.733 -9.770 -2.446 1.00 10.05 H new ATOM 0 HZ3 LYS A 70 -4.214 -9.862 -1.693 1.00 10.05 H new ATOM 1149 N PHE A 71 -2.692 -7.773 1.639 1.00 43.43 N ATOM 1150 CA PHE A 71 -2.395 -6.406 1.132 1.00 54.34 C ATOM 1151 C PHE A 71 -1.187 -5.797 1.852 1.00 11.14 C ATOM 1152 O PHE A 71 -0.443 -4.998 1.256 1.00 65.45 O ATOM 1153 CB PHE A 71 -3.629 -5.463 1.264 1.00 62.52 C ATOM 1154 CG PHE A 71 -4.835 -5.855 0.401 1.00 72.12 C ATOM 1155 CD1 PHE A 71 -4.657 -6.428 -0.861 1.00 72.23 C ATOM 1156 CD2 PHE A 71 -6.144 -5.670 0.857 1.00 33.40 C ATOM 1157 CE1 PHE A 71 -5.742 -6.773 -1.639 1.00 15.32 C ATOM 1158 CE2 PHE A 71 -7.226 -6.017 0.073 1.00 71.45 C ATOM 1159 CZ PHE A 71 -7.025 -6.580 -1.165 1.00 31.23 C ATOM 0 H PHE A 71 -3.516 -7.817 2.239 1.00 43.43 H new ATOM 0 HA PHE A 71 -2.155 -6.505 0.073 1.00 54.34 H new ATOM 0 HB2 PHE A 71 -3.940 -5.439 2.308 1.00 62.52 H new ATOM 0 HB3 PHE A 71 -3.325 -4.450 0.999 1.00 62.52 H new ATOM 0 HD1 PHE A 71 -3.658 -6.603 -1.231 1.00 72.23 H new ATOM 0 HD2 PHE A 71 -6.311 -5.249 1.838 1.00 33.40 H new ATOM 0 HE1 PHE A 71 -5.588 -7.195 -2.621 1.00 15.32 H new ATOM 0 HE2 PHE A 71 -8.230 -5.846 0.432 1.00 71.45 H new ATOM 0 HZ PHE A 71 -7.872 -6.872 -1.768 1.00 31.23 H new ATOM 1169 N ALA A 72 -1.006 -6.182 3.136 1.00 25.50 N ATOM 1170 CA ALA A 72 0.179 -5.798 3.908 1.00 44.51 C ATOM 1171 C ALA A 72 1.430 -6.358 3.230 1.00 53.31 C ATOM 1172 O ALA A 72 2.335 -5.604 2.911 1.00 63.43 O ATOM 1173 CB ALA A 72 0.097 -6.281 5.362 1.00 25.43 C ATOM 0 H ALA A 72 -1.671 -6.758 3.652 1.00 25.50 H new ATOM 0 HA ALA A 72 0.230 -4.709 3.934 1.00 44.51 H new ATOM 0 HB1 ALA A 72 0.995 -5.975 5.898 1.00 25.43 H new ATOM 0 HB2 ALA A 72 -0.779 -5.844 5.842 1.00 25.43 H new ATOM 0 HB3 ALA A 72 0.016 -7.368 5.380 1.00 25.43 H new ATOM 1179 N ALA A 73 1.404 -7.682 2.935 1.00 41.40 N ATOM 1180 CA ALA A 73 2.530 -8.418 2.317 1.00 31.44 C ATOM 1181 C ALA A 73 3.013 -7.749 1.006 1.00 61.44 C ATOM 1182 O ALA A 73 4.226 -7.597 0.786 1.00 51.30 O ATOM 1183 CB ALA A 73 2.125 -9.879 2.062 1.00 3.11 C ATOM 0 H ALA A 73 0.593 -8.272 3.122 1.00 41.40 H new ATOM 0 HA ALA A 73 3.366 -8.393 3.015 1.00 31.44 H new ATOM 0 HB1 ALA A 73 2.959 -10.414 1.607 1.00 3.11 H new ATOM 0 HB2 ALA A 73 1.862 -10.354 3.007 1.00 3.11 H new ATOM 0 HB3 ALA A 73 1.267 -9.907 1.391 1.00 3.11 H new ATOM 1189 N ILE A 74 2.038 -7.318 0.172 1.00 22.14 N ATOM 1190 CA ILE A 74 2.305 -6.584 -1.081 1.00 33.41 C ATOM 1191 C ILE A 74 3.070 -5.278 -0.777 1.00 42.00 C ATOM 1192 O ILE A 74 4.117 -5.019 -1.367 1.00 1.42 O ATOM 1193 CB ILE A 74 0.979 -6.237 -1.871 1.00 53.43 C ATOM 1194 CG1 ILE A 74 0.149 -7.525 -2.180 1.00 63.35 C ATOM 1195 CG2 ILE A 74 1.295 -5.461 -3.178 1.00 11.13 C ATOM 1196 CD1 ILE A 74 -1.201 -7.277 -2.848 1.00 43.20 C ATOM 0 H ILE A 74 1.046 -7.471 0.351 1.00 22.14 H new ATOM 0 HA ILE A 74 2.908 -7.239 -1.710 1.00 33.41 H new ATOM 0 HB ILE A 74 0.374 -5.594 -1.232 1.00 53.43 H new ATOM 0 HG12 ILE A 74 0.742 -8.176 -2.823 1.00 63.35 H new ATOM 0 HG13 ILE A 74 -0.017 -8.064 -1.248 1.00 63.35 H new ATOM 0 HG21 ILE A 74 0.366 -5.235 -3.701 1.00 11.13 H new ATOM 0 HG22 ILE A 74 1.809 -4.531 -2.934 1.00 11.13 H new ATOM 0 HG23 ILE A 74 1.933 -6.071 -3.818 1.00 11.13 H new ATOM 0 HD11 ILE A 74 -1.701 -8.230 -3.022 1.00 43.20 H new ATOM 0 HD12 ILE A 74 -1.819 -6.656 -2.200 1.00 43.20 H new ATOM 0 HD13 ILE A 74 -1.048 -6.769 -3.800 1.00 43.20 H new ATOM 1208 N LEU A 75 2.547 -4.497 0.198 1.00 62.44 N ATOM 1209 CA LEU A 75 3.112 -3.182 0.568 1.00 42.41 C ATOM 1210 C LEU A 75 4.495 -3.327 1.259 1.00 13.41 C ATOM 1211 O LEU A 75 5.311 -2.403 1.200 1.00 25.14 O ATOM 1212 CB LEU A 75 2.121 -2.402 1.473 1.00 72.45 C ATOM 1213 CG LEU A 75 2.501 -0.917 1.783 1.00 22.01 C ATOM 1214 CD1 LEU A 75 2.752 -0.105 0.488 1.00 61.25 C ATOM 1215 CD2 LEU A 75 1.436 -0.254 2.694 1.00 75.41 C ATOM 0 H LEU A 75 1.728 -4.760 0.745 1.00 62.44 H new ATOM 0 HA LEU A 75 3.265 -2.615 -0.350 1.00 42.41 H new ATOM 0 HB2 LEU A 75 1.140 -2.414 0.998 1.00 72.45 H new ATOM 0 HB3 LEU A 75 2.025 -2.937 2.418 1.00 72.45 H new ATOM 0 HG LEU A 75 3.443 -0.920 2.331 1.00 22.01 H new ATOM 0 HD11 LEU A 75 3.013 0.921 0.747 1.00 61.25 H new ATOM 0 HD12 LEU A 75 3.570 -0.557 -0.072 1.00 61.25 H new ATOM 0 HD13 LEU A 75 1.849 -0.106 -0.123 1.00 61.25 H new ATOM 0 HD21 LEU A 75 1.722 0.778 2.896 1.00 75.41 H new ATOM 0 HD22 LEU A 75 0.468 -0.271 2.194 1.00 75.41 H new ATOM 0 HD23 LEU A 75 1.369 -0.802 3.634 1.00 75.41 H new ATOM 1227 N ILE A 76 4.741 -4.501 1.889 1.00 41.13 N ATOM 1228 CA ILE A 76 6.051 -4.845 2.478 1.00 24.24 C ATOM 1229 C ILE A 76 7.092 -4.943 1.355 1.00 40.52 C ATOM 1230 O ILE A 76 8.181 -4.388 1.473 1.00 33.23 O ATOM 1231 CB ILE A 76 5.992 -6.186 3.357 1.00 14.23 C ATOM 1232 CG1 ILE A 76 5.631 -5.891 4.858 1.00 22.33 C ATOM 1233 CG2 ILE A 76 7.310 -7.012 3.295 1.00 61.24 C ATOM 1234 CD1 ILE A 76 4.414 -5.011 5.090 1.00 60.41 C ATOM 0 H ILE A 76 4.038 -5.231 2.001 1.00 41.13 H new ATOM 0 HA ILE A 76 6.342 -4.054 3.169 1.00 24.24 H new ATOM 0 HB ILE A 76 5.198 -6.785 2.911 1.00 14.23 H new ATOM 0 HG12 ILE A 76 5.469 -6.842 5.366 1.00 22.33 H new ATOM 0 HG13 ILE A 76 6.492 -5.419 5.332 1.00 22.33 H new ATOM 0 HG21 ILE A 76 7.208 -7.907 3.909 1.00 61.24 H new ATOM 0 HG22 ILE A 76 7.510 -7.301 2.263 1.00 61.24 H new ATOM 0 HG23 ILE A 76 8.136 -6.407 3.669 1.00 61.24 H new ATOM 0 HD11 ILE A 76 4.261 -4.876 6.161 1.00 60.41 H new ATOM 0 HD12 ILE A 76 4.572 -4.040 4.621 1.00 60.41 H new ATOM 0 HD13 ILE A 76 3.534 -5.485 4.655 1.00 60.41 H new ATOM 1246 N LYS A 77 6.716 -5.625 0.246 1.00 0.11 N ATOM 1247 CA LYS A 77 7.597 -5.781 -0.936 1.00 14.44 C ATOM 1248 C LYS A 77 7.802 -4.435 -1.653 1.00 44.53 C ATOM 1249 O LYS A 77 8.926 -4.116 -2.032 1.00 40.40 O ATOM 1250 CB LYS A 77 7.067 -6.879 -1.910 1.00 12.41 C ATOM 1251 CG LYS A 77 7.494 -8.327 -1.536 1.00 12.02 C ATOM 1252 CD LYS A 77 7.017 -8.748 -0.132 1.00 71.32 C ATOM 1253 CE LYS A 77 7.625 -10.068 0.352 1.00 50.53 C ATOM 1254 NZ LYS A 77 7.266 -11.206 -0.530 1.00 4.05 N ATOM 0 H LYS A 77 5.807 -6.076 0.146 1.00 0.11 H new ATOM 0 HA LYS A 77 8.571 -6.117 -0.580 1.00 14.44 H new ATOM 0 HB2 LYS A 77 5.978 -6.829 -1.937 1.00 12.41 H new ATOM 0 HB3 LYS A 77 7.421 -6.657 -2.917 1.00 12.41 H new ATOM 0 HG2 LYS A 77 7.092 -9.021 -2.274 1.00 12.02 H new ATOM 0 HG3 LYS A 77 8.580 -8.404 -1.584 1.00 12.02 H new ATOM 0 HD2 LYS A 77 7.267 -7.960 0.579 1.00 71.32 H new ATOM 0 HD3 LYS A 77 5.931 -8.839 -0.138 1.00 71.32 H new ATOM 0 HE2 LYS A 77 8.710 -9.972 0.396 1.00 50.53 H new ATOM 0 HE3 LYS A 77 7.282 -10.274 1.366 1.00 50.53 H new ATOM 0 HZ1 LYS A 77 7.699 -12.078 -0.165 1.00 4.05 H new ATOM 0 HZ2 LYS A 77 6.232 -11.315 -0.552 1.00 4.05 H new ATOM 0 HZ3 LYS A 77 7.615 -11.023 -1.492 1.00 4.05 H new ATOM 1268 N VAL A 78 6.713 -3.647 -1.795 1.00 44.01 N ATOM 1269 CA VAL A 78 6.750 -2.299 -2.420 1.00 71.44 C ATOM 1270 C VAL A 78 7.766 -1.398 -1.686 1.00 3.03 C ATOM 1271 O VAL A 78 8.607 -0.750 -2.317 1.00 75.21 O ATOM 1272 CB VAL A 78 5.317 -1.619 -2.432 1.00 60.42 C ATOM 1273 CG1 VAL A 78 5.369 -0.144 -2.917 1.00 44.12 C ATOM 1274 CG2 VAL A 78 4.325 -2.450 -3.292 1.00 54.04 C ATOM 0 H VAL A 78 5.783 -3.924 -1.481 1.00 44.01 H new ATOM 0 HA VAL A 78 7.065 -2.422 -3.456 1.00 71.44 H new ATOM 0 HB VAL A 78 4.959 -1.602 -1.403 1.00 60.42 H new ATOM 0 HG11 VAL A 78 4.364 0.278 -2.908 1.00 44.12 H new ATOM 0 HG12 VAL A 78 6.012 0.435 -2.254 1.00 44.12 H new ATOM 0 HG13 VAL A 78 5.768 -0.108 -3.931 1.00 44.12 H new ATOM 0 HG21 VAL A 78 3.348 -1.968 -3.288 1.00 54.04 H new ATOM 0 HG22 VAL A 78 4.695 -2.512 -4.315 1.00 54.04 H new ATOM 0 HG23 VAL A 78 4.236 -3.454 -2.877 1.00 54.04 H new ATOM 1284 N TYR A 79 7.700 -1.421 -0.347 1.00 73.51 N ATOM 1285 CA TYR A 79 8.572 -0.610 0.524 1.00 13.05 C ATOM 1286 C TYR A 79 9.950 -1.251 0.736 1.00 53.13 C ATOM 1287 O TYR A 79 10.883 -0.552 1.131 1.00 23.12 O ATOM 1288 CB TYR A 79 7.858 -0.302 1.883 1.00 62.13 C ATOM 1289 CG TYR A 79 7.284 1.116 1.946 1.00 65.12 C ATOM 1290 CD1 TYR A 79 6.381 1.565 0.978 1.00 24.32 C ATOM 1291 CD2 TYR A 79 7.685 2.019 2.934 1.00 31.04 C ATOM 1292 CE1 TYR A 79 5.896 2.852 1.001 1.00 72.53 C ATOM 1293 CE2 TYR A 79 7.207 3.314 2.952 1.00 2.21 C ATOM 1294 CZ TYR A 79 6.313 3.724 1.985 1.00 54.14 C ATOM 1295 OH TYR A 79 5.848 5.016 1.986 1.00 72.42 O ATOM 0 H TYR A 79 7.039 -2.004 0.167 1.00 73.51 H new ATOM 0 HA TYR A 79 8.755 0.336 0.014 1.00 13.05 H new ATOM 0 HB2 TYR A 79 7.054 -1.021 2.036 1.00 62.13 H new ATOM 0 HB3 TYR A 79 8.567 -0.438 2.699 1.00 62.13 H new ATOM 0 HD1 TYR A 79 6.059 0.890 0.199 1.00 24.32 H new ATOM 0 HD2 TYR A 79 8.380 1.699 3.696 1.00 31.04 H new ATOM 0 HE1 TYR A 79 5.191 3.179 0.251 1.00 72.53 H new ATOM 0 HE2 TYR A 79 7.531 4.002 3.719 1.00 2.21 H new ATOM 0 HH TYR A 79 4.940 5.037 1.618 1.00 72.42 H new ATOM 1305 N ALA A 80 10.075 -2.564 0.479 1.00 75.15 N ATOM 1306 CA ALA A 80 11.371 -3.267 0.555 1.00 64.30 C ATOM 1307 C ALA A 80 12.267 -2.831 -0.607 1.00 50.41 C ATOM 1308 O ALA A 80 13.468 -2.657 -0.432 1.00 73.02 O ATOM 1309 CB ALA A 80 11.178 -4.793 0.554 1.00 51.12 C ATOM 0 H ALA A 80 9.293 -3.163 0.216 1.00 75.15 H new ATOM 0 HA ALA A 80 11.855 -2.999 1.494 1.00 64.30 H new ATOM 0 HB1 ALA A 80 12.150 -5.283 0.611 1.00 51.12 H new ATOM 0 HB2 ALA A 80 10.574 -5.084 1.414 1.00 51.12 H new ATOM 0 HB3 ALA A 80 10.673 -5.095 -0.363 1.00 51.12 H new ATOM 1315 N GLU A 81 11.650 -2.633 -1.791 1.00 70.42 N ATOM 1316 CA GLU A 81 12.342 -2.130 -2.997 1.00 54.22 C ATOM 1317 C GLU A 81 12.809 -0.675 -2.801 1.00 42.20 C ATOM 1318 O GLU A 81 13.820 -0.244 -3.377 1.00 51.44 O ATOM 1319 CB GLU A 81 11.403 -2.228 -4.226 1.00 71.03 C ATOM 1320 CG GLU A 81 10.840 -3.638 -4.484 1.00 4.02 C ATOM 1321 CD GLU A 81 11.910 -4.683 -4.867 1.00 11.34 C ATOM 1322 OE1 GLU A 81 12.613 -5.210 -3.975 1.00 25.10 O ATOM 1323 OE2 GLU A 81 12.026 -5.002 -6.066 1.00 21.33 O ATOM 0 H GLU A 81 10.658 -2.817 -1.938 1.00 70.42 H new ATOM 0 HA GLU A 81 13.223 -2.748 -3.168 1.00 54.22 H new ATOM 0 HB2 GLU A 81 10.571 -1.537 -4.089 1.00 71.03 H new ATOM 0 HB3 GLU A 81 11.947 -1.900 -5.111 1.00 71.03 H new ATOM 0 HG2 GLU A 81 10.318 -3.979 -3.590 1.00 4.02 H new ATOM 0 HG3 GLU A 81 10.100 -3.582 -5.282 1.00 4.02 H new ATOM 1330 N LEU A 82 12.049 0.075 -1.987 1.00 45.44 N ATOM 1331 CA LEU A 82 12.334 1.487 -1.688 1.00 51.25 C ATOM 1332 C LEU A 82 13.233 1.633 -0.445 1.00 4.42 C ATOM 1333 O LEU A 82 13.876 2.669 -0.265 1.00 15.33 O ATOM 1334 CB LEU A 82 11.000 2.267 -1.512 1.00 0.23 C ATOM 1335 CG LEU A 82 10.016 2.194 -2.724 1.00 33.22 C ATOM 1336 CD1 LEU A 82 8.738 3.022 -2.468 1.00 50.21 C ATOM 1337 CD2 LEU A 82 10.718 2.602 -4.038 1.00 33.33 C ATOM 0 H LEU A 82 11.217 -0.282 -1.517 1.00 45.44 H new ATOM 0 HA LEU A 82 12.883 1.913 -2.528 1.00 51.25 H new ATOM 0 HB2 LEU A 82 10.490 1.885 -0.628 1.00 0.23 H new ATOM 0 HB3 LEU A 82 11.234 3.314 -1.318 1.00 0.23 H new ATOM 0 HG LEU A 82 9.702 1.156 -2.835 1.00 33.22 H new ATOM 0 HD11 LEU A 82 8.077 2.948 -3.332 1.00 50.21 H new ATOM 0 HD12 LEU A 82 8.226 2.638 -1.586 1.00 50.21 H new ATOM 0 HD13 LEU A 82 9.007 4.066 -2.306 1.00 50.21 H new ATOM 0 HD21 LEU A 82 10.009 2.541 -4.863 1.00 33.33 H new ATOM 0 HD22 LEU A 82 11.087 3.624 -3.951 1.00 33.33 H new ATOM 0 HD23 LEU A 82 11.554 1.929 -4.228 1.00 33.33 H new ATOM 1349 N GLY A 83 13.287 0.582 0.383 1.00 63.34 N ATOM 1350 CA GLY A 83 14.059 0.599 1.626 1.00 54.40 C ATOM 1351 C GLY A 83 14.297 -0.813 2.143 1.00 22.44 C ATOM 1352 O GLY A 83 13.416 -1.403 2.768 1.00 43.45 O ATOM 0 H GLY A 83 12.799 -0.297 0.210 1.00 63.34 H new ATOM 0 HA2 GLY A 83 15.015 1.094 1.457 1.00 54.40 H new ATOM 0 HA3 GLY A 83 13.528 1.181 2.379 1.00 54.40 H new ATOM 1403 N ILE A 87 11.108 -3.231 7.450 1.00 70.31 N ATOM 1404 CA ILE A 87 9.717 -2.902 7.086 1.00 42.04 C ATOM 1405 C ILE A 87 8.774 -3.418 8.189 1.00 30.22 C ATOM 1406 O ILE A 87 8.910 -4.563 8.625 1.00 21.13 O ATOM 1407 CB ILE A 87 9.334 -3.543 5.694 1.00 33.44 C ATOM 1408 CG1 ILE A 87 10.370 -3.160 4.585 1.00 52.43 C ATOM 1409 CG2 ILE A 87 7.908 -3.139 5.267 1.00 3.11 C ATOM 1410 CD1 ILE A 87 10.521 -1.668 4.343 1.00 64.23 C ATOM 0 HA ILE A 87 9.618 -1.820 6.994 1.00 42.04 H new ATOM 0 HB ILE A 87 9.358 -4.626 5.818 1.00 33.44 H new ATOM 0 HG12 ILE A 87 11.342 -3.570 4.859 1.00 52.43 H new ATOM 0 HG13 ILE A 87 10.074 -3.637 3.651 1.00 52.43 H new ATOM 0 HG21 ILE A 87 7.673 -3.595 4.305 1.00 3.11 H new ATOM 0 HG22 ILE A 87 7.193 -3.481 6.015 1.00 3.11 H new ATOM 0 HG23 ILE A 87 7.848 -2.054 5.178 1.00 3.11 H new ATOM 0 HD11 ILE A 87 11.259 -1.499 3.559 1.00 64.23 H new ATOM 0 HD12 ILE A 87 9.562 -1.251 4.035 1.00 64.23 H new ATOM 0 HD13 ILE A 87 10.850 -1.182 5.261 1.00 64.23 H new ATOM 1422 N ASN A 88 7.827 -2.568 8.627 1.00 74.53 N ATOM 1423 CA ASN A 88 6.889 -2.872 9.730 1.00 73.30 C ATOM 1424 C ASN A 88 5.430 -2.845 9.236 1.00 2.43 C ATOM 1425 O ASN A 88 5.103 -2.121 8.290 1.00 22.12 O ATOM 1426 CB ASN A 88 7.088 -1.860 10.894 1.00 52.22 C ATOM 1427 CG ASN A 88 6.775 -0.396 10.533 1.00 23.05 C ATOM 1428 OD1 ASN A 88 6.921 0.038 9.388 1.00 13.01 O ATOM 1429 ND2 ASN A 88 6.361 0.381 11.516 1.00 15.50 N ATOM 0 H ASN A 88 7.688 -1.642 8.223 1.00 74.53 H new ATOM 0 HA ASN A 88 7.102 -3.877 10.095 1.00 73.30 H new ATOM 0 HB2 ASN A 88 6.454 -2.158 11.729 1.00 52.22 H new ATOM 0 HB3 ASN A 88 8.120 -1.922 11.239 1.00 52.22 H new ATOM 0 HD21 ASN A 88 6.154 1.364 11.337 1.00 15.50 H new ATOM 0 HD22 ASN A 88 6.248 -0.001 12.455 1.00 15.50 H new ATOM 1436 N VAL A 89 4.565 -3.656 9.877 1.00 5.51 N ATOM 1437 CA VAL A 89 3.119 -3.702 9.583 1.00 52.34 C ATOM 1438 C VAL A 89 2.343 -3.047 10.743 1.00 53.41 C ATOM 1439 O VAL A 89 2.435 -3.510 11.887 1.00 24.20 O ATOM 1440 CB VAL A 89 2.586 -5.178 9.397 1.00 3.24 C ATOM 1441 CG1 VAL A 89 1.122 -5.178 8.882 1.00 15.35 C ATOM 1442 CG2 VAL A 89 3.515 -6.016 8.485 1.00 52.32 C ATOM 0 H VAL A 89 4.851 -4.299 10.615 1.00 5.51 H new ATOM 0 HA VAL A 89 2.963 -3.165 8.647 1.00 52.34 H new ATOM 0 HB VAL A 89 2.593 -5.657 10.376 1.00 3.24 H new ATOM 0 HG11 VAL A 89 0.778 -6.205 8.762 1.00 15.35 H new ATOM 0 HG12 VAL A 89 0.484 -4.663 9.600 1.00 15.35 H new ATOM 0 HG13 VAL A 89 1.074 -4.665 7.921 1.00 15.35 H new ATOM 0 HG21 VAL A 89 3.112 -7.024 8.383 1.00 52.32 H new ATOM 0 HG22 VAL A 89 3.577 -5.549 7.502 1.00 52.32 H new ATOM 0 HG23 VAL A 89 4.510 -6.066 8.927 1.00 52.32 H new ATOM 1452 N THR A 90 1.606 -1.964 10.455 1.00 64.33 N ATOM 1453 CA THR A 90 0.708 -1.311 11.423 1.00 24.11 C ATOM 1454 C THR A 90 -0.736 -1.376 10.889 1.00 34.12 C ATOM 1455 O THR A 90 -1.102 -0.626 9.987 1.00 14.32 O ATOM 1456 CB THR A 90 1.136 0.182 11.645 1.00 44.45 C ATOM 1457 OG1 THR A 90 2.543 0.249 11.944 1.00 63.13 O ATOM 1458 CG2 THR A 90 0.343 0.853 12.782 1.00 50.01 C ATOM 0 H THR A 90 1.615 -1.513 9.540 1.00 64.33 H new ATOM 0 HA THR A 90 0.769 -1.829 12.380 1.00 24.11 H new ATOM 0 HB THR A 90 0.919 0.720 10.722 1.00 44.45 H new ATOM 0 HG1 THR A 90 2.804 1.184 12.080 1.00 63.13 H new ATOM 0 HG21 THR A 90 0.675 1.885 12.897 1.00 50.01 H new ATOM 0 HG22 THR A 90 -0.720 0.839 12.542 1.00 50.01 H new ATOM 0 HG23 THR A 90 0.512 0.311 13.713 1.00 50.01 H new ATOM 1466 N TRP A 91 -1.558 -2.260 11.468 1.00 54.40 N ATOM 1467 CA TRP A 91 -2.932 -2.494 11.004 1.00 10.25 C ATOM 1468 C TRP A 91 -3.899 -1.727 11.910 1.00 73.02 C ATOM 1469 O TRP A 91 -4.093 -2.085 13.075 1.00 0.13 O ATOM 1470 CB TRP A 91 -3.252 -4.013 10.980 1.00 73.23 C ATOM 1471 CG TRP A 91 -4.637 -4.361 10.460 1.00 44.32 C ATOM 1472 CD1 TRP A 91 -5.240 -3.889 9.322 1.00 42.24 C ATOM 1473 CD2 TRP A 91 -5.573 -5.278 11.048 1.00 0.33 C ATOM 1474 NE1 TRP A 91 -6.482 -4.445 9.181 1.00 14.31 N ATOM 1475 CE2 TRP A 91 -6.707 -5.306 10.223 1.00 50.43 C ATOM 1476 CE3 TRP A 91 -5.557 -6.080 12.187 1.00 63.02 C ATOM 1477 CZ2 TRP A 91 -7.814 -6.102 10.504 1.00 11.22 C ATOM 1478 CZ3 TRP A 91 -6.655 -6.862 12.470 1.00 12.02 C ATOM 1479 CH2 TRP A 91 -7.770 -6.874 11.626 1.00 70.43 C ATOM 0 H TRP A 91 -1.291 -2.832 12.269 1.00 54.40 H new ATOM 0 HA TRP A 91 -3.044 -2.130 9.983 1.00 10.25 H new ATOM 0 HB2 TRP A 91 -2.509 -4.517 10.362 1.00 73.23 H new ATOM 0 HB3 TRP A 91 -3.148 -4.409 11.990 1.00 73.23 H new ATOM 0 HD1 TRP A 91 -4.798 -3.181 8.637 1.00 42.24 H new ATOM 0 HE1 TRP A 91 -7.135 -4.250 8.422 1.00 14.31 H new ATOM 0 HE3 TRP A 91 -4.696 -6.088 12.839 1.00 63.02 H new ATOM 0 HZ2 TRP A 91 -8.678 -6.107 9.855 1.00 11.22 H new ATOM 0 HZ3 TRP A 91 -6.655 -7.476 13.358 1.00 12.02 H new ATOM 0 HH2 TRP A 91 -8.611 -7.507 11.868 1.00 70.43 H new ATOM 1490 N ASP A 92 -4.447 -0.634 11.369 1.00 0.32 N ATOM 1491 CA ASP A 92 -5.430 0.224 12.050 1.00 54.12 C ATOM 1492 C ASP A 92 -6.726 -0.546 12.358 1.00 65.44 C ATOM 1493 O ASP A 92 -7.326 -0.382 13.423 1.00 31.13 O ATOM 1494 CB ASP A 92 -5.758 1.453 11.167 1.00 2.31 C ATOM 1495 CG ASP A 92 -4.520 2.308 10.847 1.00 23.11 C ATOM 1496 OD1 ASP A 92 -3.765 1.955 9.914 1.00 64.34 O ATOM 1497 OD2 ASP A 92 -4.286 3.326 11.533 1.00 71.32 O ATOM 0 H ASP A 92 -4.218 -0.313 10.429 1.00 0.32 H new ATOM 0 HA ASP A 92 -4.993 0.552 12.993 1.00 54.12 H new ATOM 0 HB2 ASP A 92 -6.210 1.114 10.235 1.00 2.31 H new ATOM 0 HB3 ASP A 92 -6.499 2.071 11.674 1.00 2.31 H new ATOM 1502 N GLY A 93 -7.135 -1.382 11.391 1.00 15.33 N ATOM 1503 CA GLY A 93 -8.380 -2.146 11.467 1.00 2.12 C ATOM 1504 C GLY A 93 -8.984 -2.322 10.091 1.00 25.01 C ATOM 1505 O GLY A 93 -9.334 -3.426 9.690 1.00 73.41 O ATOM 0 H GLY A 93 -6.607 -1.544 10.534 1.00 15.33 H new ATOM 0 HA2 GLY A 93 -8.187 -3.122 11.912 1.00 2.12 H new ATOM 0 HA3 GLY A 93 -9.088 -1.633 12.118 1.00 2.12 H new ATOM 1509 N ASP A 94 -9.112 -1.201 9.370 1.00 1.13 N ATOM 1510 CA ASP A 94 -9.564 -1.189 7.959 1.00 14.12 C ATOM 1511 C ASP A 94 -8.443 -0.693 7.047 1.00 51.41 C ATOM 1512 O ASP A 94 -8.669 -0.438 5.861 1.00 50.32 O ATOM 1513 CB ASP A 94 -10.838 -0.303 7.788 1.00 54.30 C ATOM 1514 CG ASP A 94 -12.065 -0.863 8.531 1.00 42.12 C ATOM 1515 OD1 ASP A 94 -12.336 -2.082 8.414 1.00 12.25 O ATOM 1516 OD2 ASP A 94 -12.768 -0.095 9.225 1.00 62.01 O ATOM 0 H ASP A 94 -8.907 -0.273 9.741 1.00 1.13 H new ATOM 0 HA ASP A 94 -9.821 -2.210 7.675 1.00 14.12 H new ATOM 0 HB2 ASP A 94 -10.627 0.702 8.153 1.00 54.30 H new ATOM 0 HB3 ASP A 94 -11.072 -0.214 6.727 1.00 54.30 H new ATOM 1521 N THR A 95 -7.224 -0.586 7.609 1.00 51.04 N ATOM 1522 CA THR A 95 -6.070 -0.009 6.911 1.00 73.31 C ATOM 1523 C THR A 95 -4.751 -0.692 7.337 1.00 34.15 C ATOM 1524 O THR A 95 -4.484 -0.820 8.528 1.00 53.14 O ATOM 1525 CB THR A 95 -5.987 1.528 7.196 1.00 60.44 C ATOM 1526 OG1 THR A 95 -7.267 2.145 6.969 1.00 22.42 O ATOM 1527 CG2 THR A 95 -4.943 2.212 6.315 1.00 74.32 C ATOM 0 H THR A 95 -7.017 -0.898 8.558 1.00 51.04 H new ATOM 0 HA THR A 95 -6.207 -0.177 5.843 1.00 73.31 H new ATOM 0 HB THR A 95 -5.692 1.648 8.239 1.00 60.44 H new ATOM 0 HG1 THR A 95 -7.204 3.106 7.152 1.00 22.42 H new ATOM 0 HG21 THR A 95 -4.916 3.278 6.543 1.00 74.32 H new ATOM 0 HG22 THR A 95 -3.963 1.775 6.506 1.00 74.32 H new ATOM 0 HG23 THR A 95 -5.204 2.072 5.266 1.00 74.32 H new ATOM 1535 N VAL A 96 -3.943 -1.145 6.354 1.00 3.14 N ATOM 1536 CA VAL A 96 -2.554 -1.601 6.579 1.00 24.32 C ATOM 1537 C VAL A 96 -1.562 -0.473 6.196 1.00 3.23 C ATOM 1538 O VAL A 96 -1.397 -0.125 5.023 1.00 23.34 O ATOM 1539 CB VAL A 96 -2.231 -2.947 5.803 1.00 31.22 C ATOM 1540 CG1 VAL A 96 -2.973 -4.135 6.456 1.00 3.41 C ATOM 1541 CG2 VAL A 96 -2.570 -2.852 4.290 1.00 41.33 C ATOM 0 H VAL A 96 -4.237 -1.205 5.379 1.00 3.14 H new ATOM 0 HA VAL A 96 -2.440 -1.825 7.640 1.00 24.32 H new ATOM 0 HB VAL A 96 -1.157 -3.115 5.877 1.00 31.22 H new ATOM 0 HG11 VAL A 96 -2.742 -5.051 5.913 1.00 3.41 H new ATOM 0 HG12 VAL A 96 -2.654 -4.238 7.493 1.00 3.41 H new ATOM 0 HG13 VAL A 96 -4.048 -3.955 6.423 1.00 3.41 H new ATOM 0 HG21 VAL A 96 -2.331 -3.798 3.804 1.00 41.33 H new ATOM 0 HG22 VAL A 96 -3.632 -2.639 4.168 1.00 41.33 H new ATOM 0 HG23 VAL A 96 -1.985 -2.052 3.836 1.00 41.33 H new ATOM 1551 N THR A 97 -0.939 0.118 7.217 1.00 65.12 N ATOM 1552 CA THR A 97 0.043 1.200 7.076 1.00 71.03 C ATOM 1553 C THR A 97 1.463 0.655 7.268 1.00 62.01 C ATOM 1554 O THR A 97 1.720 -0.092 8.213 1.00 71.42 O ATOM 1555 CB THR A 97 -0.227 2.310 8.137 1.00 71.12 C ATOM 1556 OG1 THR A 97 -1.599 2.713 8.058 1.00 53.32 O ATOM 1557 CG2 THR A 97 0.679 3.547 7.956 1.00 23.34 C ATOM 0 H THR A 97 -1.105 -0.147 8.188 1.00 65.12 H new ATOM 0 HA THR A 97 -0.050 1.622 6.075 1.00 71.03 H new ATOM 0 HB THR A 97 0.000 1.885 9.115 1.00 71.12 H new ATOM 0 HG1 THR A 97 -2.100 2.315 8.800 1.00 53.32 H new ATOM 0 HG21 THR A 97 0.445 4.285 8.723 1.00 23.34 H new ATOM 0 HG22 THR A 97 1.724 3.249 8.046 1.00 23.34 H new ATOM 0 HG23 THR A 97 0.509 3.981 6.971 1.00 23.34 H new ATOM 1565 N VAL A 98 2.373 1.023 6.360 1.00 14.41 N ATOM 1566 CA VAL A 98 3.812 0.792 6.532 1.00 21.35 C ATOM 1567 C VAL A 98 4.522 2.153 6.629 1.00 34.32 C ATOM 1568 O VAL A 98 4.639 2.879 5.627 1.00 52.44 O ATOM 1569 CB VAL A 98 4.418 -0.066 5.356 1.00 63.21 C ATOM 1570 CG1 VAL A 98 5.955 -0.185 5.482 1.00 62.41 C ATOM 1571 CG2 VAL A 98 3.746 -1.462 5.289 1.00 74.33 C ATOM 0 H VAL A 98 2.133 1.489 5.485 1.00 14.41 H new ATOM 0 HA VAL A 98 3.966 0.222 7.448 1.00 21.35 H new ATOM 0 HB VAL A 98 4.208 0.451 4.420 1.00 63.21 H new ATOM 0 HG11 VAL A 98 6.343 -0.782 4.657 1.00 62.41 H new ATOM 0 HG12 VAL A 98 6.401 0.809 5.451 1.00 62.41 H new ATOM 0 HG13 VAL A 98 6.206 -0.666 6.427 1.00 62.41 H new ATOM 0 HG21 VAL A 98 4.180 -2.036 4.470 1.00 74.33 H new ATOM 0 HG22 VAL A 98 3.909 -1.990 6.229 1.00 74.33 H new ATOM 0 HG23 VAL A 98 2.676 -1.343 5.121 1.00 74.33 H new ATOM 1581 N GLU A 99 4.926 2.504 7.861 1.00 44.24 N ATOM 1582 CA GLU A 99 5.798 3.646 8.149 1.00 54.52 C ATOM 1583 C GLU A 99 6.539 3.339 9.464 1.00 33.34 C ATOM 1584 O GLU A 99 5.913 3.151 10.508 1.00 70.03 O ATOM 1585 CB GLU A 99 4.983 4.976 8.228 1.00 31.14 C ATOM 1586 CG GLU A 99 5.813 6.273 8.030 1.00 51.24 C ATOM 1587 CD GLU A 99 6.773 6.614 9.176 1.00 34.22 C ATOM 1588 OE1 GLU A 99 6.324 7.227 10.166 1.00 62.31 O ATOM 1589 OE2 GLU A 99 7.973 6.267 9.097 1.00 74.00 O ATOM 0 H GLU A 99 4.649 1.990 8.697 1.00 44.24 H new ATOM 0 HA GLU A 99 6.520 3.790 7.345 1.00 54.52 H new ATOM 0 HB2 GLU A 99 4.198 4.948 7.473 1.00 31.14 H new ATOM 0 HB3 GLU A 99 4.490 5.024 9.199 1.00 31.14 H new ATOM 0 HG2 GLU A 99 6.390 6.180 7.110 1.00 51.24 H new ATOM 0 HG3 GLU A 99 5.126 7.108 7.892 1.00 51.24 H new ATOM 1596 N GLY A 100 7.869 3.272 9.386 1.00 32.22 N ATOM 1597 CA GLY A 100 8.729 2.959 10.531 1.00 4.20 C ATOM 1598 C GLY A 100 9.693 1.842 10.186 1.00 3.21 C ATOM 1599 O GLY A 100 9.957 1.586 8.999 1.00 25.22 O ATOM 0 H GLY A 100 8.384 3.434 8.521 1.00 32.22 H new ATOM 0 HA2 GLY A 100 9.286 3.848 10.828 1.00 4.20 H new ATOM 0 HA3 GLY A 100 8.116 2.667 11.384 1.00 4.20 H new