USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=26 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 59 SER OG : rot 180:sc= 0.263 USER MOD Set 1.2: A 97 THR OG1 : rot -82:sc= 0.276 USER MOD Set 2.1: A 88 ASN : amide:sc= 0.0551 X(o=0.037,f=0.079) USER MOD Set 2.2: A 90 THR OG1 : rot -150:sc= -0.0179 USER MOD Set 3.1: A 16 ASN : amide:sc= 0.267 K(o=2.1,f=0.3) USER MOD Set 3.2: A 18 ASN : amide:sc= 0.408 K(o=2.1,f=1.3) USER MOD Set 3.3: A 56 SER OG : rot -110:sc= -0.498 USER MOD Set 3.4: A 58 THR OG1 : rot 67:sc= 1.23 USER MOD Set 3.5: A 79 TYR OH : rot 176:sc= 0.667 USER MOD Set 4.1: A 42 ASN : amide:sc= 0.155 K(o=0.61,f=-3.4) USER MOD Set 4.2: A 45 LYS NZ :NH3+ 165:sc= 0.454 (180deg=0.183) USER MOD Set 5.1: A 27 TYR OH : rot 165:sc= 0.646 USER MOD Set 5.2: A 51 GLN : amide:sc= -0.207 K(o=0.44,f=-4!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 17 ASN : amide:sc= 0.213 K(o=0.21,f=-2.1!) USER MOD Single : A 19 THR OG1 : rot 39:sc= 0.217 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.555 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 -38:sc= 0.564 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -164:sc= 0.502 (180deg=0.129) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 161:sc= 0.643 (180deg=0.429) USER MOD Single : A 50 LYS NZ :NH3+ 137:sc= 0.0205 (180deg=0) USER MOD Single : A 53 CYS SG : rot -150:sc= -0.717 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -150:sc= 0.63 USER MOD Single : A 64 THR OG1 : rot -65:sc= 0.282 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 171:sc= -0.0103 (180deg=-0.15) USER MOD Single : A 70 LYS NZ :NH3+ 141:sc= -0.207 (180deg=-1.12!) USER MOD Single : A 77 LYS NZ :NH3+ -162:sc= -0.0971 (180deg=-0.421) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N ASP A 11 -14.438 -0.134 -1.394 1.00 34.52 N ATOM 171 CA ASP A 11 -13.275 -0.083 -2.296 1.00 55.52 C ATOM 172 C ASP A 11 -11.973 -0.006 -1.498 1.00 3.25 C ATOM 173 O ASP A 11 -11.978 0.311 -0.297 1.00 40.51 O ATOM 174 CB ASP A 11 -13.388 1.144 -3.236 1.00 24.14 C ATOM 175 CG ASP A 11 -14.586 1.049 -4.181 1.00 75.41 C ATOM 176 OD1 ASP A 11 -15.733 1.086 -3.696 1.00 63.11 O ATOM 177 OD2 ASP A 11 -14.399 0.893 -5.403 1.00 42.13 O ATOM 0 HA ASP A 11 -13.262 -0.995 -2.892 1.00 55.52 H new ATOM 0 HB2 ASP A 11 -13.473 2.050 -2.636 1.00 24.14 H new ATOM 0 HB3 ASP A 11 -12.473 1.234 -3.822 1.00 24.14 H new ATOM 182 N ILE A 12 -10.869 -0.314 -2.178 1.00 23.14 N ATOM 183 CA ILE A 12 -9.522 -0.193 -1.618 1.00 21.43 C ATOM 184 C ILE A 12 -9.015 1.248 -1.851 1.00 25.40 C ATOM 185 O ILE A 12 -8.636 1.609 -2.976 1.00 15.04 O ATOM 186 CB ILE A 12 -8.537 -1.223 -2.296 1.00 51.14 C ATOM 187 CG1 ILE A 12 -9.132 -2.667 -2.282 1.00 70.34 C ATOM 188 CG2 ILE A 12 -7.150 -1.198 -1.617 1.00 23.41 C ATOM 189 CD1 ILE A 12 -8.344 -3.693 -3.094 1.00 14.40 C ATOM 0 H ILE A 12 -10.883 -0.657 -3.139 1.00 23.14 H new ATOM 0 HA ILE A 12 -9.557 -0.412 -0.551 1.00 21.43 H new ATOM 0 HB ILE A 12 -8.410 -0.920 -3.335 1.00 51.14 H new ATOM 0 HG12 ILE A 12 -9.191 -3.010 -1.249 1.00 70.34 H new ATOM 0 HG13 ILE A 12 -10.152 -2.628 -2.664 1.00 70.34 H new ATOM 0 HG21 ILE A 12 -6.493 -1.918 -2.105 1.00 23.41 H new ATOM 0 HG22 ILE A 12 -6.721 -0.199 -1.702 1.00 23.41 H new ATOM 0 HG23 ILE A 12 -7.256 -1.459 -0.564 1.00 23.41 H new ATOM 0 HD11 ILE A 12 -8.833 -4.665 -3.025 1.00 14.40 H new ATOM 0 HD12 ILE A 12 -8.306 -3.380 -4.137 1.00 14.40 H new ATOM 0 HD13 ILE A 12 -7.330 -3.768 -2.700 1.00 14.40 H new ATOM 201 N GLN A 13 -9.040 2.069 -0.791 1.00 0.23 N ATOM 202 CA GLN A 13 -8.475 3.426 -0.813 1.00 21.14 C ATOM 203 C GLN A 13 -7.003 3.360 -0.368 1.00 21.22 C ATOM 204 O GLN A 13 -6.702 3.053 0.794 1.00 42.33 O ATOM 205 CB GLN A 13 -9.285 4.391 0.100 1.00 45.32 C ATOM 206 CG GLN A 13 -8.764 5.852 0.093 1.00 22.43 C ATOM 207 CD GLN A 13 -9.509 6.796 1.044 1.00 72.30 C ATOM 208 OE1 GLN A 13 -10.701 6.629 1.316 1.00 65.01 O ATOM 209 NE2 GLN A 13 -8.808 7.805 1.548 1.00 13.42 N ATOM 0 H GLN A 13 -9.452 1.811 0.106 1.00 0.23 H new ATOM 0 HA GLN A 13 -8.534 3.820 -1.828 1.00 21.14 H new ATOM 0 HB2 GLN A 13 -10.328 4.386 -0.218 1.00 45.32 H new ATOM 0 HB3 GLN A 13 -9.262 4.013 1.122 1.00 45.32 H new ATOM 0 HG2 GLN A 13 -7.707 5.849 0.359 1.00 22.43 H new ATOM 0 HG3 GLN A 13 -8.837 6.246 -0.921 1.00 22.43 H new ATOM 0 HE21 GLN A 13 -7.824 7.915 1.303 1.00 13.42 H new ATOM 0 HE22 GLN A 13 -9.254 8.470 2.180 1.00 13.42 H new ATOM 218 N VAL A 14 -6.110 3.588 -1.329 1.00 62.20 N ATOM 219 CA VAL A 14 -4.666 3.663 -1.113 1.00 24.21 C ATOM 220 C VAL A 14 -4.265 5.143 -0.999 1.00 75.02 C ATOM 221 O VAL A 14 -4.307 5.849 -1.987 1.00 31.23 O ATOM 222 CB VAL A 14 -3.914 2.987 -2.319 1.00 74.12 C ATOM 223 CG1 VAL A 14 -2.390 3.000 -2.111 1.00 2.54 C ATOM 224 CG2 VAL A 14 -4.437 1.552 -2.552 1.00 42.23 C ATOM 0 H VAL A 14 -6.377 3.729 -2.303 1.00 62.20 H new ATOM 0 HA VAL A 14 -4.394 3.138 -0.197 1.00 24.21 H new ATOM 0 HB VAL A 14 -4.122 3.573 -3.215 1.00 74.12 H new ATOM 0 HG11 VAL A 14 -1.902 2.525 -2.963 1.00 2.54 H new ATOM 0 HG12 VAL A 14 -2.044 4.030 -2.022 1.00 2.54 H new ATOM 0 HG13 VAL A 14 -2.142 2.454 -1.201 1.00 2.54 H new ATOM 0 HG21 VAL A 14 -3.904 1.102 -3.390 1.00 42.23 H new ATOM 0 HG22 VAL A 14 -4.273 0.955 -1.655 1.00 42.23 H new ATOM 0 HG23 VAL A 14 -5.503 1.585 -2.776 1.00 42.23 H new ATOM 234 N GLN A 15 -3.903 5.621 0.201 1.00 54.20 N ATOM 235 CA GLN A 15 -3.503 7.024 0.418 1.00 1.21 C ATOM 236 C GLN A 15 -2.064 7.079 0.937 1.00 71.54 C ATOM 237 O GLN A 15 -1.783 6.564 2.016 1.00 52.04 O ATOM 238 CB GLN A 15 -4.482 7.704 1.412 1.00 2.14 C ATOM 239 CG GLN A 15 -4.166 9.186 1.720 1.00 10.24 C ATOM 240 CD GLN A 15 -5.159 9.849 2.680 1.00 14.32 C ATOM 241 OE1 GLN A 15 -5.755 9.193 3.534 1.00 52.22 O ATOM 242 NE2 GLN A 15 -5.338 11.157 2.555 1.00 64.51 N ATOM 0 H GLN A 15 -3.878 5.051 1.046 1.00 54.20 H new ATOM 0 HA GLN A 15 -3.546 7.566 -0.527 1.00 1.21 H new ATOM 0 HB2 GLN A 15 -5.492 7.639 1.008 1.00 2.14 H new ATOM 0 HB3 GLN A 15 -4.476 7.144 2.347 1.00 2.14 H new ATOM 0 HG2 GLN A 15 -3.165 9.252 2.146 1.00 10.24 H new ATOM 0 HG3 GLN A 15 -4.152 9.746 0.785 1.00 10.24 H new ATOM 0 HE21 GLN A 15 -4.830 11.675 1.838 1.00 64.51 H new ATOM 0 HE22 GLN A 15 -5.983 11.645 3.176 1.00 64.51 H new ATOM 251 N ASN A 16 -1.154 7.711 0.176 1.00 42.05 N ATOM 252 CA ASN A 16 0.262 7.833 0.566 1.00 4.20 C ATOM 253 C ASN A 16 0.536 9.244 1.090 1.00 5.25 C ATOM 254 O ASN A 16 0.384 10.231 0.360 1.00 44.04 O ATOM 255 CB ASN A 16 1.199 7.518 -0.623 1.00 22.40 C ATOM 256 CG ASN A 16 2.697 7.667 -0.276 1.00 34.24 C ATOM 257 OD1 ASN A 16 3.282 8.740 -0.406 1.00 41.11 O ATOM 258 ND2 ASN A 16 3.324 6.590 0.166 1.00 63.33 N ATOM 0 H ASN A 16 -1.376 8.148 -0.719 1.00 42.05 H new ATOM 0 HA ASN A 16 0.462 7.108 1.354 1.00 4.20 H new ATOM 0 HB2 ASN A 16 1.012 6.500 -0.964 1.00 22.40 H new ATOM 0 HB3 ASN A 16 0.958 8.182 -1.453 1.00 22.40 H new ATOM 0 HD21 ASN A 16 4.314 6.639 0.407 1.00 63.33 H new ATOM 0 HD22 ASN A 16 2.818 5.710 0.266 1.00 63.33 H new ATOM 265 N ASN A 17 0.916 9.317 2.370 1.00 65.34 N ATOM 266 CA ASN A 17 1.374 10.541 3.030 1.00 13.12 C ATOM 267 C ASN A 17 2.903 10.477 3.148 1.00 3.04 C ATOM 268 O ASN A 17 3.438 9.645 3.885 1.00 73.44 O ATOM 269 CB ASN A 17 0.708 10.658 4.430 1.00 2.11 C ATOM 270 CG ASN A 17 1.168 11.885 5.231 1.00 60.34 C ATOM 271 OD1 ASN A 17 2.101 11.810 6.033 1.00 72.45 O ATOM 272 ND2 ASN A 17 0.523 13.020 5.007 1.00 34.12 N ATOM 0 H ASN A 17 0.913 8.507 2.989 1.00 65.34 H new ATOM 0 HA ASN A 17 1.094 11.422 2.452 1.00 13.12 H new ATOM 0 HB2 ASN A 17 -0.374 10.701 4.306 1.00 2.11 H new ATOM 0 HB3 ASN A 17 0.927 9.757 5.004 1.00 2.11 H new ATOM 0 HD21 ASN A 17 0.794 13.868 5.505 1.00 34.12 H new ATOM 0 HD22 ASN A 17 -0.245 13.046 4.336 1.00 34.12 H new ATOM 279 N ASN A 18 3.599 11.334 2.398 1.00 75.43 N ATOM 280 CA ASN A 18 5.073 11.369 2.364 1.00 35.13 C ATOM 281 C ASN A 18 5.578 12.736 2.821 1.00 22.33 C ATOM 282 O ASN A 18 4.908 13.760 2.616 1.00 44.43 O ATOM 283 CB ASN A 18 5.600 11.029 0.942 1.00 13.14 C ATOM 284 CG ASN A 18 5.069 11.970 -0.140 1.00 41.02 C ATOM 285 OD1 ASN A 18 5.681 12.991 -0.454 1.00 34.03 O ATOM 286 ND2 ASN A 18 3.915 11.640 -0.695 1.00 33.44 N ATOM 0 H ASN A 18 3.160 12.028 1.793 1.00 75.43 H new ATOM 0 HA ASN A 18 5.455 10.613 3.050 1.00 35.13 H new ATOM 0 HB2 ASN A 18 6.689 11.069 0.946 1.00 13.14 H new ATOM 0 HB3 ASN A 18 5.320 10.005 0.693 1.00 13.14 H new ATOM 0 HD21 ASN A 18 3.503 12.240 -1.409 1.00 33.44 H new ATOM 0 HD22 ASN A 18 3.437 10.786 -0.409 1.00 33.44 H new ATOM 293 N THR A 19 6.746 12.738 3.468 1.00 13.53 N ATOM 294 CA THR A 19 7.403 13.954 3.938 1.00 12.22 C ATOM 295 C THR A 19 8.631 14.242 3.053 1.00 54.33 C ATOM 296 O THR A 19 9.619 13.492 3.069 1.00 61.01 O ATOM 297 CB THR A 19 7.795 13.806 5.448 1.00 54.32 C ATOM 298 OG1 THR A 19 8.580 12.610 5.648 1.00 43.52 O ATOM 299 CG2 THR A 19 6.540 13.753 6.351 1.00 60.10 C ATOM 0 H THR A 19 7.265 11.886 3.681 1.00 13.53 H new ATOM 0 HA THR A 19 6.721 14.800 3.861 1.00 12.22 H new ATOM 0 HB THR A 19 8.385 14.680 5.723 1.00 54.32 H new ATOM 0 HG1 THR A 19 9.194 12.492 4.893 1.00 43.52 H new ATOM 0 HG21 THR A 19 6.845 13.650 7.392 1.00 60.10 H new ATOM 0 HG22 THR A 19 5.966 14.672 6.230 1.00 60.10 H new ATOM 0 HG23 THR A 19 5.924 12.900 6.068 1.00 60.10 H new ATOM 407 N TYR A 27 -0.261 10.566 -2.844 1.00 64.04 N ATOM 408 CA TYR A 27 -0.557 9.569 -3.897 1.00 34.14 C ATOM 409 C TYR A 27 -1.768 8.743 -3.459 1.00 2.20 C ATOM 410 O TYR A 27 -1.621 7.669 -2.855 1.00 62.12 O ATOM 411 CB TYR A 27 0.689 8.674 -4.196 1.00 63.33 C ATOM 412 CG TYR A 27 1.964 9.483 -4.467 1.00 2.30 C ATOM 413 CD1 TYR A 27 2.026 10.367 -5.544 1.00 3.43 C ATOM 414 CD2 TYR A 27 3.070 9.415 -3.617 1.00 51.02 C ATOM 415 CE1 TYR A 27 3.141 11.145 -5.766 1.00 52.21 C ATOM 416 CE2 TYR A 27 4.186 10.202 -3.828 1.00 41.32 C ATOM 417 CZ TYR A 27 4.215 11.067 -4.906 1.00 24.32 C ATOM 418 OH TYR A 27 5.307 11.866 -5.116 1.00 42.34 O ATOM 0 HA TYR A 27 -0.795 10.077 -4.831 1.00 34.14 H new ATOM 0 HB2 TYR A 27 0.862 8.009 -3.350 1.00 63.33 H new ATOM 0 HB3 TYR A 27 0.476 8.043 -5.059 1.00 63.33 H new ATOM 0 HD1 TYR A 27 1.184 10.443 -6.216 1.00 3.43 H new ATOM 0 HD2 TYR A 27 3.053 8.734 -2.779 1.00 51.02 H new ATOM 0 HE1 TYR A 27 3.173 11.815 -6.613 1.00 52.21 H new ATOM 0 HE2 TYR A 27 5.029 10.142 -3.156 1.00 41.32 H new ATOM 0 HH TYR A 27 5.866 11.874 -4.311 1.00 42.34 H new ATOM 428 N THR A 28 -2.972 9.290 -3.705 1.00 12.13 N ATOM 429 CA THR A 28 -4.228 8.650 -3.311 1.00 34.24 C ATOM 430 C THR A 28 -4.959 8.086 -4.540 1.00 23.41 C ATOM 431 O THR A 28 -5.359 8.828 -5.441 1.00 64.43 O ATOM 432 CB THR A 28 -5.147 9.639 -2.535 1.00 70.11 C ATOM 433 OG1 THR A 28 -4.394 10.245 -1.470 1.00 72.40 O ATOM 434 CG2 THR A 28 -6.393 8.931 -1.941 1.00 24.51 C ATOM 0 H THR A 28 -3.096 10.184 -4.180 1.00 12.13 H new ATOM 0 HA THR A 28 -3.985 7.824 -2.643 1.00 34.24 H new ATOM 0 HB THR A 28 -5.497 10.394 -3.239 1.00 70.11 H new ATOM 0 HG1 THR A 28 -4.967 10.870 -0.979 1.00 72.40 H new ATOM 0 HG21 THR A 28 -7.006 9.659 -1.408 1.00 24.51 H new ATOM 0 HG22 THR A 28 -6.977 8.485 -2.746 1.00 24.51 H new ATOM 0 HG23 THR A 28 -6.073 8.151 -1.250 1.00 24.51 H new ATOM 442 N TYR A 29 -5.121 6.762 -4.551 1.00 3.14 N ATOM 443 CA TYR A 29 -5.838 6.014 -5.585 1.00 74.14 C ATOM 444 C TYR A 29 -7.014 5.291 -4.921 1.00 63.03 C ATOM 445 O TYR A 29 -6.939 4.955 -3.735 1.00 52.43 O ATOM 446 CB TYR A 29 -4.881 4.984 -6.240 1.00 74.21 C ATOM 447 CG TYR A 29 -3.538 5.579 -6.719 1.00 20.24 C ATOM 448 CD1 TYR A 29 -3.438 6.252 -7.944 1.00 70.34 C ATOM 449 CD2 TYR A 29 -2.374 5.461 -5.950 1.00 71.20 C ATOM 450 CE1 TYR A 29 -2.232 6.777 -8.375 1.00 73.03 C ATOM 451 CE2 TYR A 29 -1.172 5.986 -6.381 1.00 34.52 C ATOM 452 CZ TYR A 29 -1.103 6.641 -7.589 1.00 64.04 C ATOM 453 OH TYR A 29 0.103 7.162 -8.016 1.00 3.31 O ATOM 0 H TYR A 29 -4.745 6.162 -3.817 1.00 3.14 H new ATOM 0 HA TYR A 29 -6.204 6.688 -6.359 1.00 74.14 H new ATOM 0 HB2 TYR A 29 -4.677 4.188 -5.524 1.00 74.21 H new ATOM 0 HB3 TYR A 29 -5.386 4.526 -7.090 1.00 74.21 H new ATOM 0 HD1 TYR A 29 -4.317 6.363 -8.562 1.00 70.34 H new ATOM 0 HD2 TYR A 29 -2.417 4.949 -5.000 1.00 71.20 H new ATOM 0 HE1 TYR A 29 -2.173 7.291 -9.323 1.00 73.03 H new ATOM 0 HE2 TYR A 29 -0.287 5.883 -5.771 1.00 34.52 H new ATOM 0 HH TYR A 29 0.794 6.980 -7.345 1.00 3.31 H new ATOM 463 N THR A 30 -8.103 5.063 -5.664 1.00 25.23 N ATOM 464 CA THR A 30 -9.240 4.277 -5.170 1.00 3.51 C ATOM 465 C THR A 30 -9.590 3.209 -6.211 1.00 23.42 C ATOM 466 O THR A 30 -10.129 3.521 -7.276 1.00 1.01 O ATOM 467 CB THR A 30 -10.472 5.189 -4.849 1.00 71.22 C ATOM 468 OG1 THR A 30 -10.057 6.285 -4.014 1.00 34.44 O ATOM 469 CG2 THR A 30 -11.592 4.411 -4.126 1.00 11.21 C ATOM 0 H THR A 30 -8.221 5.414 -6.615 1.00 25.23 H new ATOM 0 HA THR A 30 -8.962 3.792 -4.234 1.00 3.51 H new ATOM 0 HB THR A 30 -10.865 5.554 -5.798 1.00 71.22 H new ATOM 0 HG1 THR A 30 -10.829 6.856 -3.816 1.00 34.44 H new ATOM 0 HG21 THR A 30 -12.427 5.081 -3.922 1.00 11.21 H new ATOM 0 HG22 THR A 30 -11.931 3.590 -4.758 1.00 11.21 H new ATOM 0 HG23 THR A 30 -11.210 4.012 -3.187 1.00 11.21 H new ATOM 477 N VAL A 31 -9.233 1.953 -5.907 1.00 11.03 N ATOM 478 CA VAL A 31 -9.455 0.796 -6.798 1.00 4.31 C ATOM 479 C VAL A 31 -10.472 -0.165 -6.168 1.00 73.23 C ATOM 480 O VAL A 31 -10.856 0.004 -5.015 1.00 35.11 O ATOM 481 CB VAL A 31 -8.105 0.037 -7.104 1.00 51.12 C ATOM 482 CG1 VAL A 31 -7.087 0.978 -7.789 1.00 2.33 C ATOM 483 CG2 VAL A 31 -7.497 -0.601 -5.831 1.00 74.14 C ATOM 0 H VAL A 31 -8.778 1.705 -5.029 1.00 11.03 H new ATOM 0 HA VAL A 31 -9.850 1.169 -7.743 1.00 4.31 H new ATOM 0 HB VAL A 31 -8.340 -0.776 -7.791 1.00 51.12 H new ATOM 0 HG11 VAL A 31 -6.165 0.432 -7.990 1.00 2.33 H new ATOM 0 HG12 VAL A 31 -7.504 1.344 -8.727 1.00 2.33 H new ATOM 0 HG13 VAL A 31 -6.874 1.822 -7.133 1.00 2.33 H new ATOM 0 HG21 VAL A 31 -6.569 -1.113 -6.088 1.00 74.14 H new ATOM 0 HG22 VAL A 31 -7.290 0.178 -5.097 1.00 74.14 H new ATOM 0 HG23 VAL A 31 -8.202 -1.318 -5.411 1.00 74.14 H new ATOM 493 N THR A 32 -10.901 -1.176 -6.933 1.00 62.13 N ATOM 494 CA THR A 32 -11.862 -2.200 -6.459 1.00 14.14 C ATOM 495 C THR A 32 -11.355 -3.618 -6.802 1.00 12.25 C ATOM 496 O THR A 32 -12.054 -4.616 -6.590 1.00 31.53 O ATOM 497 CB THR A 32 -13.277 -1.945 -7.091 1.00 12.33 C ATOM 498 OG1 THR A 32 -14.248 -2.877 -6.583 1.00 13.13 O ATOM 499 CG2 THR A 32 -13.240 -2.015 -8.631 1.00 31.03 C ATOM 0 H THR A 32 -10.597 -1.314 -7.897 1.00 62.13 H new ATOM 0 HA THR A 32 -11.949 -2.126 -5.375 1.00 14.14 H new ATOM 0 HB THR A 32 -13.572 -0.936 -6.804 1.00 12.33 H new ATOM 0 HG1 THR A 32 -13.831 -3.757 -6.475 1.00 13.13 H new ATOM 0 HG21 THR A 32 -14.239 -1.833 -9.028 1.00 31.03 H new ATOM 0 HG22 THR A 32 -12.554 -1.259 -9.013 1.00 31.03 H new ATOM 0 HG23 THR A 32 -12.901 -3.003 -8.942 1.00 31.03 H new ATOM 507 N THR A 33 -10.116 -3.695 -7.317 1.00 14.03 N ATOM 508 CA THR A 33 -9.517 -4.946 -7.812 1.00 2.53 C ATOM 509 C THR A 33 -8.044 -5.044 -7.360 1.00 1.11 C ATOM 510 O THR A 33 -7.336 -4.035 -7.341 1.00 73.10 O ATOM 511 CB THR A 33 -9.636 -5.014 -9.374 1.00 41.33 C ATOM 512 OG1 THR A 33 -11.018 -4.886 -9.760 1.00 20.04 O ATOM 513 CG2 THR A 33 -9.061 -6.311 -9.975 1.00 65.03 C ATOM 0 H THR A 33 -9.499 -2.887 -7.402 1.00 14.03 H new ATOM 0 HA THR A 33 -10.056 -5.795 -7.392 1.00 2.53 H new ATOM 0 HB THR A 33 -9.043 -4.189 -9.767 1.00 41.33 H new ATOM 0 HG1 THR A 33 -11.090 -4.927 -10.736 1.00 20.04 H new ATOM 0 HG21 THR A 33 -9.176 -6.292 -11.059 1.00 65.03 H new ATOM 0 HG22 THR A 33 -8.003 -6.391 -9.724 1.00 65.03 H new ATOM 0 HG23 THR A 33 -9.596 -7.169 -9.568 1.00 65.03 H new ATOM 521 N GLU A 34 -7.614 -6.268 -6.995 1.00 12.12 N ATOM 522 CA GLU A 34 -6.248 -6.560 -6.492 1.00 42.14 C ATOM 523 C GLU A 34 -5.180 -6.311 -7.574 1.00 13.11 C ATOM 524 O GLU A 34 -4.042 -5.949 -7.260 1.00 14.14 O ATOM 525 CB GLU A 34 -6.169 -8.032 -6.032 1.00 51.31 C ATOM 526 CG GLU A 34 -7.232 -8.445 -4.996 1.00 15.44 C ATOM 527 CD GLU A 34 -7.334 -9.969 -4.862 1.00 71.41 C ATOM 528 OE1 GLU A 34 -7.940 -10.612 -5.740 1.00 11.31 O ATOM 529 OE2 GLU A 34 -6.791 -10.536 -3.911 1.00 2.24 O ATOM 0 H GLU A 34 -8.209 -7.095 -7.040 1.00 12.12 H new ATOM 0 HA GLU A 34 -6.050 -5.890 -5.655 1.00 42.14 H new ATOM 0 HB2 GLU A 34 -6.265 -8.676 -6.906 1.00 51.31 H new ATOM 0 HB3 GLU A 34 -5.181 -8.213 -5.609 1.00 51.31 H new ATOM 0 HG2 GLU A 34 -6.984 -8.011 -4.028 1.00 15.44 H new ATOM 0 HG3 GLU A 34 -8.201 -8.040 -5.288 1.00 15.44 H new ATOM 536 N SER A 35 -5.551 -6.557 -8.846 1.00 30.11 N ATOM 537 CA SER A 35 -4.676 -6.295 -9.997 1.00 71.30 C ATOM 538 C SER A 35 -4.437 -4.791 -10.157 1.00 5.10 C ATOM 539 O SER A 35 -3.302 -4.357 -10.358 1.00 4.22 O ATOM 540 CB SER A 35 -5.285 -6.901 -11.277 1.00 14.34 C ATOM 541 OG SER A 35 -5.526 -8.287 -11.101 1.00 32.01 O ATOM 0 H SER A 35 -6.461 -6.941 -9.100 1.00 30.11 H new ATOM 0 HA SER A 35 -3.711 -6.770 -9.822 1.00 71.30 H new ATOM 0 HB2 SER A 35 -6.217 -6.391 -11.520 1.00 14.34 H new ATOM 0 HB3 SER A 35 -4.608 -6.747 -12.118 1.00 14.34 H new ATOM 0 HG SER A 35 -5.914 -8.658 -11.921 1.00 32.01 H new ATOM 547 N GLU A 36 -5.521 -4.009 -10.012 1.00 44.24 N ATOM 548 CA GLU A 36 -5.468 -2.542 -10.076 1.00 64.20 C ATOM 549 C GLU A 36 -4.692 -1.976 -8.874 1.00 14.25 C ATOM 550 O GLU A 36 -4.039 -0.943 -8.985 1.00 73.20 O ATOM 551 CB GLU A 36 -6.900 -1.957 -10.130 1.00 73.43 C ATOM 552 CG GLU A 36 -7.770 -2.473 -11.295 1.00 50.52 C ATOM 553 CD GLU A 36 -7.133 -2.267 -12.674 1.00 21.01 C ATOM 554 OE1 GLU A 36 -7.145 -1.128 -13.189 1.00 3.41 O ATOM 555 OE2 GLU A 36 -6.610 -3.244 -13.259 1.00 53.01 O ATOM 0 H GLU A 36 -6.457 -4.378 -9.847 1.00 44.24 H new ATOM 0 HA GLU A 36 -4.942 -2.251 -10.985 1.00 64.20 H new ATOM 0 HB2 GLU A 36 -7.405 -2.184 -9.191 1.00 73.43 H new ATOM 0 HB3 GLU A 36 -6.831 -0.872 -10.201 1.00 73.43 H new ATOM 0 HG2 GLU A 36 -7.965 -3.535 -11.149 1.00 50.52 H new ATOM 0 HG3 GLU A 36 -8.734 -1.966 -11.270 1.00 50.52 H new ATOM 562 N LEU A 37 -4.772 -2.691 -7.736 1.00 60.42 N ATOM 563 CA LEU A 37 -4.008 -2.374 -6.523 1.00 15.34 C ATOM 564 C LEU A 37 -2.499 -2.521 -6.797 1.00 72.31 C ATOM 565 O LEU A 37 -1.718 -1.623 -6.489 1.00 4.43 O ATOM 566 CB LEU A 37 -4.455 -3.308 -5.371 1.00 64.11 C ATOM 567 CG LEU A 37 -3.673 -3.183 -4.025 1.00 4.00 C ATOM 568 CD1 LEU A 37 -3.840 -1.793 -3.398 1.00 30.44 C ATOM 569 CD2 LEU A 37 -4.084 -4.284 -3.036 1.00 54.52 C ATOM 0 H LEU A 37 -5.373 -3.509 -7.636 1.00 60.42 H new ATOM 0 HA LEU A 37 -4.200 -1.342 -6.229 1.00 15.34 H new ATOM 0 HB2 LEU A 37 -5.510 -3.121 -5.171 1.00 64.11 H new ATOM 0 HB3 LEU A 37 -4.374 -4.338 -5.717 1.00 64.11 H new ATOM 0 HG LEU A 37 -2.616 -3.315 -4.255 1.00 4.00 H new ATOM 0 HD11 LEU A 37 -3.281 -1.746 -2.463 1.00 30.44 H new ATOM 0 HD12 LEU A 37 -3.462 -1.036 -4.085 1.00 30.44 H new ATOM 0 HD13 LEU A 37 -4.896 -1.608 -3.199 1.00 30.44 H new ATOM 0 HD21 LEU A 37 -3.522 -4.169 -2.109 1.00 54.52 H new ATOM 0 HD22 LEU A 37 -5.151 -4.204 -2.826 1.00 54.52 H new ATOM 0 HD23 LEU A 37 -3.872 -5.261 -3.470 1.00 54.52 H new ATOM 581 N GLN A 38 -2.123 -3.656 -7.414 1.00 33.14 N ATOM 582 CA GLN A 38 -0.728 -3.970 -7.777 1.00 24.12 C ATOM 583 C GLN A 38 -0.159 -2.913 -8.753 1.00 4.11 C ATOM 584 O GLN A 38 0.996 -2.493 -8.626 1.00 65.44 O ATOM 585 CB GLN A 38 -0.667 -5.390 -8.402 1.00 45.12 C ATOM 586 CG GLN A 38 0.737 -5.849 -8.835 1.00 72.31 C ATOM 587 CD GLN A 38 0.736 -7.247 -9.460 1.00 10.31 C ATOM 588 OE1 GLN A 38 0.904 -8.252 -8.771 1.00 62.32 O ATOM 589 NE2 GLN A 38 0.525 -7.320 -10.765 1.00 32.33 N ATOM 0 H GLN A 38 -2.784 -4.387 -7.677 1.00 33.14 H new ATOM 0 HA GLN A 38 -0.113 -3.949 -6.877 1.00 24.12 H new ATOM 0 HB2 GLN A 38 -1.061 -6.106 -7.680 1.00 45.12 H new ATOM 0 HB3 GLN A 38 -1.326 -5.417 -9.270 1.00 45.12 H new ATOM 0 HG2 GLN A 38 1.143 -5.135 -9.552 1.00 72.31 H new ATOM 0 HG3 GLN A 38 1.400 -5.843 -7.970 1.00 72.31 H new ATOM 0 HE21 GLN A 38 0.389 -6.467 -11.308 1.00 32.33 H new ATOM 0 HE22 GLN A 38 0.498 -8.229 -11.227 1.00 32.33 H new ATOM 598 N LYS A 39 -1.012 -2.479 -9.699 1.00 21.44 N ATOM 599 CA LYS A 39 -0.669 -1.471 -10.715 1.00 32.01 C ATOM 600 C LYS A 39 -0.369 -0.103 -10.070 1.00 42.02 C ATOM 601 O LYS A 39 0.687 0.492 -10.329 1.00 20.24 O ATOM 602 CB LYS A 39 -1.828 -1.355 -11.744 1.00 32.43 C ATOM 603 CG LYS A 39 -1.978 -2.586 -12.669 1.00 3.30 C ATOM 604 CD LYS A 39 -3.312 -2.608 -13.450 1.00 53.11 C ATOM 605 CE LYS A 39 -3.535 -1.376 -14.343 1.00 73.10 C ATOM 606 NZ LYS A 39 -4.824 -1.461 -15.081 1.00 51.12 N ATOM 0 H LYS A 39 -1.969 -2.823 -9.779 1.00 21.44 H new ATOM 0 HA LYS A 39 0.237 -1.791 -11.231 1.00 32.01 H new ATOM 0 HB2 LYS A 39 -2.763 -1.203 -11.206 1.00 32.43 H new ATOM 0 HB3 LYS A 39 -1.666 -0.470 -12.359 1.00 32.43 H new ATOM 0 HG2 LYS A 39 -1.150 -2.602 -13.378 1.00 3.30 H new ATOM 0 HG3 LYS A 39 -1.901 -3.493 -12.070 1.00 3.30 H new ATOM 0 HD2 LYS A 39 -3.343 -3.504 -14.070 1.00 53.11 H new ATOM 0 HD3 LYS A 39 -4.136 -2.683 -12.740 1.00 53.11 H new ATOM 0 HE2 LYS A 39 -3.525 -0.475 -13.730 1.00 73.10 H new ATOM 0 HE3 LYS A 39 -2.713 -1.287 -15.054 1.00 73.10 H new ATOM 0 HZ1 LYS A 39 -4.824 -0.773 -15.861 1.00 51.12 H new ATOM 0 HZ2 LYS A 39 -4.941 -2.420 -15.465 1.00 51.12 H new ATOM 0 HZ3 LYS A 39 -5.610 -1.249 -14.433 1.00 51.12 H new ATOM 620 N VAL A 40 -1.292 0.373 -9.214 1.00 55.41 N ATOM 621 CA VAL A 40 -1.186 1.711 -8.607 1.00 23.53 C ATOM 622 C VAL A 40 -0.063 1.779 -7.551 1.00 22.52 C ATOM 623 O VAL A 40 0.492 2.850 -7.335 1.00 51.01 O ATOM 624 CB VAL A 40 -2.550 2.215 -7.998 1.00 33.14 C ATOM 625 CG1 VAL A 40 -3.647 2.293 -9.088 1.00 72.13 C ATOM 626 CG2 VAL A 40 -3.013 1.357 -6.794 1.00 30.42 C ATOM 0 H VAL A 40 -2.120 -0.150 -8.928 1.00 55.41 H new ATOM 0 HA VAL A 40 -0.927 2.386 -9.423 1.00 23.53 H new ATOM 0 HB VAL A 40 -2.376 3.221 -7.615 1.00 33.14 H new ATOM 0 HG11 VAL A 40 -4.578 2.643 -8.643 1.00 72.13 H new ATOM 0 HG12 VAL A 40 -3.335 2.986 -9.869 1.00 72.13 H new ATOM 0 HG13 VAL A 40 -3.801 1.304 -9.521 1.00 72.13 H new ATOM 0 HG21 VAL A 40 -3.957 1.746 -6.412 1.00 30.42 H new ATOM 0 HG22 VAL A 40 -3.149 0.324 -7.114 1.00 30.42 H new ATOM 0 HG23 VAL A 40 -2.259 1.396 -6.008 1.00 30.42 H new ATOM 636 N LEU A 41 0.264 0.628 -6.916 1.00 13.33 N ATOM 637 CA LEU A 41 1.363 0.527 -5.929 1.00 34.20 C ATOM 638 C LEU A 41 2.736 0.500 -6.622 1.00 71.45 C ATOM 639 O LEU A 41 3.699 1.073 -6.107 1.00 22.45 O ATOM 640 CB LEU A 41 1.195 -0.732 -5.039 1.00 12.43 C ATOM 641 CG LEU A 41 0.040 -0.692 -3.997 1.00 2.43 C ATOM 642 CD1 LEU A 41 -0.043 -2.019 -3.220 1.00 43.15 C ATOM 643 CD2 LEU A 41 0.204 0.503 -3.035 1.00 62.24 C ATOM 0 H LEU A 41 -0.225 -0.253 -7.074 1.00 13.33 H new ATOM 0 HA LEU A 41 1.314 1.413 -5.296 1.00 34.20 H new ATOM 0 HB2 LEU A 41 1.039 -1.592 -5.690 1.00 12.43 H new ATOM 0 HB3 LEU A 41 2.131 -0.901 -4.506 1.00 12.43 H new ATOM 0 HG LEU A 41 -0.897 -0.559 -4.538 1.00 2.43 H new ATOM 0 HD11 LEU A 41 -0.858 -1.967 -2.498 1.00 43.15 H new ATOM 0 HD12 LEU A 41 -0.227 -2.837 -3.916 1.00 43.15 H new ATOM 0 HD13 LEU A 41 0.897 -2.193 -2.696 1.00 43.15 H new ATOM 0 HD21 LEU A 41 -0.616 0.507 -2.317 1.00 62.24 H new ATOM 0 HD22 LEU A 41 1.151 0.415 -2.503 1.00 62.24 H new ATOM 0 HD23 LEU A 41 0.193 1.432 -3.604 1.00 62.24 H new ATOM 655 N ASN A 42 2.809 -0.186 -7.780 1.00 4.14 N ATOM 656 CA ASN A 42 4.038 -0.271 -8.605 1.00 42.31 C ATOM 657 C ASN A 42 4.437 1.134 -9.117 1.00 35.20 C ATOM 658 O ASN A 42 5.621 1.489 -9.175 1.00 51.43 O ATOM 659 CB ASN A 42 3.799 -1.243 -9.796 1.00 72.12 C ATOM 660 CG ASN A 42 5.018 -1.458 -10.702 1.00 54.42 C ATOM 661 OD1 ASN A 42 6.161 -1.394 -10.261 1.00 21.43 O ATOM 662 ND2 ASN A 42 4.776 -1.740 -11.973 1.00 75.12 N ATOM 0 H ASN A 42 2.019 -0.698 -8.173 1.00 4.14 H new ATOM 0 HA ASN A 42 4.856 -0.655 -7.996 1.00 42.31 H new ATOM 0 HB2 ASN A 42 3.482 -2.208 -9.401 1.00 72.12 H new ATOM 0 HB3 ASN A 42 2.977 -0.860 -10.401 1.00 72.12 H new ATOM 0 HD21 ASN A 42 5.551 -1.911 -12.614 1.00 75.12 H new ATOM 0 HD22 ASN A 42 3.815 -1.786 -12.311 1.00 75.12 H new ATOM 669 N GLU A 43 3.408 1.915 -9.458 1.00 51.00 N ATOM 670 CA GLU A 43 3.544 3.289 -9.943 1.00 14.43 C ATOM 671 C GLU A 43 3.833 4.260 -8.773 1.00 24.50 C ATOM 672 O GLU A 43 4.651 5.174 -8.907 1.00 12.13 O ATOM 673 CB GLU A 43 2.250 3.671 -10.684 1.00 54.40 C ATOM 674 CG GLU A 43 2.222 5.103 -11.236 1.00 32.25 C ATOM 675 CD GLU A 43 0.905 5.436 -11.932 1.00 41.11 C ATOM 676 OE1 GLU A 43 -0.145 5.397 -11.260 1.00 74.13 O ATOM 677 OE2 GLU A 43 0.905 5.734 -13.147 1.00 14.31 O ATOM 0 H GLU A 43 2.439 1.603 -9.403 1.00 51.00 H new ATOM 0 HA GLU A 43 4.389 3.361 -10.628 1.00 14.43 H new ATOM 0 HB2 GLU A 43 2.102 2.975 -11.510 1.00 54.40 H new ATOM 0 HB3 GLU A 43 1.408 3.542 -10.004 1.00 54.40 H new ATOM 0 HG2 GLU A 43 2.386 5.807 -10.420 1.00 32.25 H new ATOM 0 HG3 GLU A 43 3.044 5.234 -11.940 1.00 32.25 H new ATOM 684 N LEU A 44 3.157 4.027 -7.629 1.00 20.21 N ATOM 685 CA LEU A 44 3.330 4.813 -6.378 1.00 75.15 C ATOM 686 C LEU A 44 4.793 4.693 -5.889 1.00 12.31 C ATOM 687 O LEU A 44 5.390 5.665 -5.420 1.00 73.14 O ATOM 688 CB LEU A 44 2.302 4.294 -5.317 1.00 51.10 C ATOM 689 CG LEU A 44 2.040 5.156 -4.028 1.00 61.35 C ATOM 690 CD1 LEU A 44 0.675 4.812 -3.390 1.00 22.15 C ATOM 691 CD2 LEU A 44 3.145 4.980 -2.974 1.00 55.32 C ATOM 0 H LEU A 44 2.467 3.281 -7.541 1.00 20.21 H new ATOM 0 HA LEU A 44 3.135 5.871 -6.550 1.00 75.15 H new ATOM 0 HB2 LEU A 44 1.346 4.159 -5.823 1.00 51.10 H new ATOM 0 HB3 LEU A 44 2.633 3.308 -4.992 1.00 51.10 H new ATOM 0 HG LEU A 44 2.037 6.196 -4.355 1.00 61.35 H new ATOM 0 HD11 LEU A 44 0.524 5.425 -2.501 1.00 22.15 H new ATOM 0 HD12 LEU A 44 -0.122 5.010 -4.107 1.00 22.15 H new ATOM 0 HD13 LEU A 44 0.659 3.758 -3.111 1.00 22.15 H new ATOM 0 HD21 LEU A 44 2.919 5.595 -2.103 1.00 55.32 H new ATOM 0 HD22 LEU A 44 3.199 3.933 -2.675 1.00 55.32 H new ATOM 0 HD23 LEU A 44 4.102 5.286 -3.396 1.00 55.32 H new ATOM 703 N LYS A 45 5.336 3.476 -6.040 1.00 71.23 N ATOM 704 CA LYS A 45 6.734 3.130 -5.743 1.00 33.31 C ATOM 705 C LYS A 45 7.712 4.012 -6.547 1.00 62.42 C ATOM 706 O LYS A 45 8.682 4.540 -5.999 1.00 61.14 O ATOM 707 CB LYS A 45 6.935 1.640 -6.091 1.00 25.44 C ATOM 708 CG LYS A 45 8.360 1.091 -5.909 1.00 61.13 C ATOM 709 CD LYS A 45 8.461 -0.410 -6.256 1.00 15.14 C ATOM 710 CE LYS A 45 8.002 -0.726 -7.692 1.00 63.24 C ATOM 711 NZ LYS A 45 8.065 -2.175 -7.996 1.00 35.34 N ATOM 0 H LYS A 45 4.797 2.681 -6.383 1.00 71.23 H new ATOM 0 HA LYS A 45 6.942 3.306 -4.688 1.00 33.31 H new ATOM 0 HB2 LYS A 45 6.258 1.049 -5.474 1.00 25.44 H new ATOM 0 HB3 LYS A 45 6.638 1.486 -7.128 1.00 25.44 H new ATOM 0 HG2 LYS A 45 9.047 1.654 -6.541 1.00 61.13 H new ATOM 0 HG3 LYS A 45 8.677 1.245 -4.877 1.00 61.13 H new ATOM 0 HD2 LYS A 45 9.493 -0.738 -6.129 1.00 15.14 H new ATOM 0 HD3 LYS A 45 7.856 -0.982 -5.552 1.00 15.14 H new ATOM 0 HE2 LYS A 45 6.981 -0.372 -7.831 1.00 63.24 H new ATOM 0 HE3 LYS A 45 8.627 -0.181 -8.399 1.00 63.24 H new ATOM 0 HZ1 LYS A 45 7.520 -2.373 -8.859 1.00 35.34 H new ATOM 0 HZ2 LYS A 45 9.056 -2.457 -8.140 1.00 35.34 H new ATOM 0 HZ3 LYS A 45 7.664 -2.714 -7.202 1.00 35.34 H new ATOM 725 N ASP A 46 7.409 4.161 -7.850 1.00 64.13 N ATOM 726 CA ASP A 46 8.199 4.967 -8.796 1.00 71.31 C ATOM 727 C ASP A 46 8.233 6.451 -8.369 1.00 30.35 C ATOM 728 O ASP A 46 9.246 7.136 -8.562 1.00 24.52 O ATOM 729 CB ASP A 46 7.608 4.799 -10.225 1.00 32.34 C ATOM 730 CG ASP A 46 8.325 5.634 -11.300 1.00 44.00 C ATOM 731 OD1 ASP A 46 9.359 5.176 -11.834 1.00 34.35 O ATOM 732 OD2 ASP A 46 7.869 6.760 -11.602 1.00 12.11 O ATOM 0 H ASP A 46 6.597 3.718 -8.280 1.00 64.13 H new ATOM 0 HA ASP A 46 9.231 4.615 -8.796 1.00 71.31 H new ATOM 0 HB2 ASP A 46 7.655 3.747 -10.505 1.00 32.34 H new ATOM 0 HB3 ASP A 46 6.554 5.077 -10.206 1.00 32.34 H new ATOM 737 N TYR A 47 7.118 6.923 -7.784 1.00 51.24 N ATOM 738 CA TYR A 47 6.992 8.297 -7.283 1.00 61.45 C ATOM 739 C TYR A 47 7.863 8.538 -6.033 1.00 62.44 C ATOM 740 O TYR A 47 8.569 9.548 -5.962 1.00 23.43 O ATOM 741 CB TYR A 47 5.526 8.629 -6.973 1.00 24.20 C ATOM 742 CG TYR A 47 4.660 8.908 -8.206 1.00 11.03 C ATOM 743 CD1 TYR A 47 4.879 10.040 -8.987 1.00 74.24 C ATOM 744 CD2 TYR A 47 3.628 8.060 -8.572 1.00 32.54 C ATOM 745 CE1 TYR A 47 4.090 10.314 -10.085 1.00 2.50 C ATOM 746 CE2 TYR A 47 2.836 8.323 -9.667 1.00 32.43 C ATOM 747 CZ TYR A 47 3.070 9.450 -10.424 1.00 24.22 C ATOM 748 OH TYR A 47 2.290 9.718 -11.525 1.00 41.31 O ATOM 0 H TYR A 47 6.279 6.359 -7.647 1.00 51.24 H new ATOM 0 HA TYR A 47 7.350 8.959 -8.071 1.00 61.45 H new ATOM 0 HB2 TYR A 47 5.089 7.799 -6.419 1.00 24.20 H new ATOM 0 HB3 TYR A 47 5.495 9.500 -6.319 1.00 24.20 H new ATOM 0 HD1 TYR A 47 5.681 10.716 -8.728 1.00 74.24 H new ATOM 0 HD2 TYR A 47 3.440 7.173 -7.985 1.00 32.54 H new ATOM 0 HE1 TYR A 47 4.270 11.200 -10.676 1.00 2.50 H new ATOM 0 HE2 TYR A 47 2.035 7.649 -9.931 1.00 32.43 H new ATOM 0 HH TYR A 47 1.617 9.013 -11.629 1.00 41.31 H new ATOM 758 N ILE A 48 7.798 7.606 -5.053 1.00 33.35 N ATOM 759 CA ILE A 48 8.576 7.706 -3.795 1.00 63.42 C ATOM 760 C ILE A 48 10.088 7.735 -4.117 1.00 71.14 C ATOM 761 O ILE A 48 10.843 8.525 -3.544 1.00 55.41 O ATOM 762 CB ILE A 48 8.259 6.512 -2.812 1.00 2.13 C ATOM 763 CG1 ILE A 48 6.733 6.438 -2.474 1.00 41.10 C ATOM 764 CG2 ILE A 48 9.098 6.610 -1.510 1.00 51.32 C ATOM 765 CD1 ILE A 48 6.344 5.287 -1.545 1.00 33.43 C ATOM 0 H ILE A 48 7.212 6.773 -5.110 1.00 33.35 H new ATOM 0 HA ILE A 48 8.286 8.631 -3.296 1.00 63.42 H new ATOM 0 HB ILE A 48 8.537 5.592 -3.327 1.00 2.13 H new ATOM 0 HG12 ILE A 48 6.430 7.378 -2.013 1.00 41.10 H new ATOM 0 HG13 ILE A 48 6.172 6.343 -3.404 1.00 41.10 H new ATOM 0 HG21 ILE A 48 8.854 5.772 -0.856 1.00 51.32 H new ATOM 0 HG22 ILE A 48 10.159 6.580 -1.758 1.00 51.32 H new ATOM 0 HG23 ILE A 48 8.871 7.546 -1.000 1.00 51.32 H new ATOM 0 HD11 ILE A 48 5.269 5.312 -1.365 1.00 33.43 H new ATOM 0 HD12 ILE A 48 6.612 4.338 -2.010 1.00 33.43 H new ATOM 0 HD13 ILE A 48 6.873 5.389 -0.598 1.00 33.43 H new ATOM 777 N LYS A 49 10.473 6.882 -5.079 1.00 62.21 N ATOM 778 CA LYS A 49 11.842 6.779 -5.610 1.00 62.34 C ATOM 779 C LYS A 49 12.313 8.113 -6.231 1.00 52.51 C ATOM 780 O LYS A 49 13.449 8.547 -6.011 1.00 43.32 O ATOM 781 CB LYS A 49 11.864 5.661 -6.681 1.00 54.24 C ATOM 782 CG LYS A 49 13.212 5.447 -7.413 1.00 2.34 C ATOM 783 CD LYS A 49 13.076 4.486 -8.621 1.00 23.32 C ATOM 784 CE LYS A 49 12.097 5.017 -9.693 1.00 55.33 C ATOM 785 NZ LYS A 49 11.913 4.063 -10.820 1.00 11.11 N ATOM 0 H LYS A 49 9.826 6.229 -5.520 1.00 62.21 H new ATOM 0 HA LYS A 49 12.523 6.543 -4.793 1.00 62.34 H new ATOM 0 HB2 LYS A 49 11.580 4.723 -6.204 1.00 54.24 H new ATOM 0 HB3 LYS A 49 11.100 5.884 -7.426 1.00 54.24 H new ATOM 0 HG2 LYS A 49 13.593 6.408 -7.757 1.00 2.34 H new ATOM 0 HG3 LYS A 49 13.944 5.046 -6.712 1.00 2.34 H new ATOM 0 HD2 LYS A 49 14.056 4.334 -9.072 1.00 23.32 H new ATOM 0 HD3 LYS A 49 12.732 3.513 -8.270 1.00 23.32 H new ATOM 0 HE2 LYS A 49 11.131 5.218 -9.230 1.00 55.33 H new ATOM 0 HE3 LYS A 49 12.468 5.966 -10.081 1.00 55.33 H new ATOM 0 HZ1 LYS A 49 11.038 4.296 -11.333 1.00 11.11 H new ATOM 0 HZ2 LYS A 49 12.723 4.131 -11.469 1.00 11.11 H new ATOM 0 HZ3 LYS A 49 11.849 3.094 -10.448 1.00 11.11 H new ATOM 799 N LYS A 50 11.409 8.744 -7.006 1.00 32.34 N ATOM 800 CA LYS A 50 11.709 9.963 -7.786 1.00 13.35 C ATOM 801 C LYS A 50 11.924 11.176 -6.864 1.00 14.31 C ATOM 802 O LYS A 50 12.870 11.949 -7.046 1.00 13.12 O ATOM 803 CB LYS A 50 10.554 10.230 -8.780 1.00 11.05 C ATOM 804 CG LYS A 50 10.798 11.382 -9.785 1.00 61.45 C ATOM 805 CD LYS A 50 9.638 11.537 -10.801 1.00 72.13 C ATOM 806 CE LYS A 50 8.289 11.817 -10.121 1.00 1.24 C ATOM 807 NZ LYS A 50 7.202 12.068 -11.096 1.00 72.41 N ATOM 0 H LYS A 50 10.447 8.422 -7.110 1.00 32.34 H new ATOM 0 HA LYS A 50 12.635 9.807 -8.340 1.00 13.35 H new ATOM 0 HB2 LYS A 50 10.361 9.316 -9.341 1.00 11.05 H new ATOM 0 HB3 LYS A 50 9.651 10.452 -8.211 1.00 11.05 H new ATOM 0 HG2 LYS A 50 10.925 12.316 -9.238 1.00 61.45 H new ATOM 0 HG3 LYS A 50 11.727 11.199 -10.324 1.00 61.45 H new ATOM 0 HD2 LYS A 50 9.869 12.350 -11.489 1.00 72.13 H new ATOM 0 HD3 LYS A 50 9.558 10.628 -11.397 1.00 72.13 H new ATOM 0 HE2 LYS A 50 8.020 10.968 -9.493 1.00 1.24 H new ATOM 0 HE3 LYS A 50 8.390 12.681 -9.464 1.00 1.24 H new ATOM 0 HZ1 LYS A 50 6.343 11.564 -10.796 1.00 72.41 H new ATOM 0 HZ2 LYS A 50 7.007 13.088 -11.143 1.00 72.41 H new ATOM 0 HZ3 LYS A 50 7.492 11.728 -12.035 1.00 72.41 H new ATOM 821 N GLN A 51 11.029 11.327 -5.882 1.00 5.20 N ATOM 822 CA GLN A 51 11.097 12.414 -4.884 1.00 62.03 C ATOM 823 C GLN A 51 12.143 12.100 -3.798 1.00 25.32 C ATOM 824 O GLN A 51 12.564 10.948 -3.637 1.00 73.22 O ATOM 825 CB GLN A 51 9.697 12.644 -4.236 1.00 51.35 C ATOM 826 CG GLN A 51 8.713 13.510 -5.057 1.00 52.22 C ATOM 827 CD GLN A 51 8.495 13.033 -6.494 1.00 21.44 C ATOM 828 OE1 GLN A 51 9.156 13.485 -7.428 1.00 21.22 O ATOM 829 NE2 GLN A 51 7.597 12.084 -6.670 1.00 12.44 N ATOM 0 H GLN A 51 10.234 10.701 -5.752 1.00 5.20 H new ATOM 0 HA GLN A 51 11.402 13.326 -5.397 1.00 62.03 H new ATOM 0 HB2 GLN A 51 9.236 11.673 -4.057 1.00 51.35 H new ATOM 0 HB3 GLN A 51 9.840 13.113 -3.262 1.00 51.35 H new ATOM 0 HG2 GLN A 51 7.751 13.530 -4.544 1.00 52.22 H new ATOM 0 HG3 GLN A 51 9.083 14.535 -5.080 1.00 52.22 H new ATOM 0 HE21 GLN A 51 7.065 11.731 -5.874 1.00 12.44 H new ATOM 0 HE22 GLN A 51 7.434 11.703 -7.602 1.00 12.44 H new ATOM 838 N GLY A 52 12.536 13.144 -3.044 1.00 31.01 N ATOM 839 CA GLY A 52 13.430 13.000 -1.891 1.00 2.31 C ATOM 840 C GLY A 52 12.675 12.604 -0.635 1.00 31.20 C ATOM 841 O GLY A 52 12.714 13.311 0.384 1.00 34.40 O ATOM 0 H GLY A 52 12.242 14.105 -3.220 1.00 31.01 H new ATOM 0 HA2 GLY A 52 14.188 12.248 -2.111 1.00 2.31 H new ATOM 0 HA3 GLY A 52 13.954 13.940 -1.718 1.00 2.31 H new ATOM 845 N CYS A 53 11.974 11.464 -0.722 1.00 63.22 N ATOM 846 CA CYS A 53 11.172 10.925 0.374 1.00 54.05 C ATOM 847 C CYS A 53 12.088 10.286 1.423 1.00 2.50 C ATOM 848 O CYS A 53 12.629 9.195 1.198 1.00 32.34 O ATOM 849 CB CYS A 53 10.161 9.892 -0.166 1.00 31.12 C ATOM 850 SG CYS A 53 9.087 10.518 -1.477 1.00 23.23 S ATOM 0 H CYS A 53 11.951 10.889 -1.564 1.00 63.22 H new ATOM 0 HA CYS A 53 10.616 11.736 0.844 1.00 54.05 H new ATOM 0 HB2 CYS A 53 10.708 9.028 -0.542 1.00 31.12 H new ATOM 0 HB3 CYS A 53 9.541 9.542 0.659 1.00 31.12 H new ATOM 0 HG CYS A 53 7.944 9.901 -1.433 1.00 23.23 H new ATOM 856 N LYS A 54 12.294 11.008 2.540 1.00 73.31 N ATOM 857 CA LYS A 54 13.030 10.493 3.708 1.00 2.22 C ATOM 858 C LYS A 54 12.333 9.230 4.227 1.00 22.13 C ATOM 859 O LYS A 54 12.960 8.183 4.425 1.00 73.23 O ATOM 860 CB LYS A 54 13.093 11.564 4.823 1.00 72.31 C ATOM 861 CG LYS A 54 13.820 12.860 4.417 1.00 43.33 C ATOM 862 CD LYS A 54 13.871 13.903 5.561 1.00 61.05 C ATOM 863 CE LYS A 54 12.478 14.390 6.001 1.00 41.04 C ATOM 864 NZ LYS A 54 12.564 15.449 7.044 1.00 20.02 N ATOM 0 H LYS A 54 11.955 11.963 2.658 1.00 73.31 H new ATOM 0 HA LYS A 54 14.050 10.250 3.410 1.00 2.22 H new ATOM 0 HB2 LYS A 54 12.077 11.812 5.130 1.00 72.31 H new ATOM 0 HB3 LYS A 54 13.594 11.138 5.692 1.00 72.31 H new ATOM 0 HG2 LYS A 54 14.836 12.619 4.106 1.00 43.33 H new ATOM 0 HG3 LYS A 54 13.318 13.298 3.554 1.00 43.33 H new ATOM 0 HD2 LYS A 54 14.384 13.467 6.418 1.00 61.05 H new ATOM 0 HD3 LYS A 54 14.462 14.759 5.237 1.00 61.05 H new ATOM 0 HE2 LYS A 54 11.938 14.775 5.136 1.00 41.04 H new ATOM 0 HE3 LYS A 54 11.904 13.547 6.386 1.00 41.04 H new ATOM 0 HZ1 LYS A 54 11.606 15.750 7.313 1.00 20.02 H new ATOM 0 HZ2 LYS A 54 13.057 15.074 7.880 1.00 20.02 H new ATOM 0 HZ3 LYS A 54 13.090 16.264 6.669 1.00 20.02 H new ATOM 878 N ARG A 55 11.019 9.368 4.441 1.00 74.30 N ATOM 879 CA ARG A 55 10.124 8.252 4.739 1.00 51.42 C ATOM 880 C ARG A 55 8.697 8.601 4.303 1.00 3.42 C ATOM 881 O ARG A 55 8.310 9.780 4.269 1.00 65.20 O ATOM 882 CB ARG A 55 10.193 7.858 6.239 1.00 73.14 C ATOM 883 CG ARG A 55 9.900 9.004 7.237 1.00 33.22 C ATOM 884 CD ARG A 55 10.112 8.574 8.696 1.00 34.03 C ATOM 885 NE ARG A 55 9.818 9.665 9.645 1.00 14.54 N ATOM 886 CZ ARG A 55 9.187 9.517 10.817 1.00 35.44 C ATOM 887 NH1 ARG A 55 8.756 8.322 11.209 1.00 40.42 N ATOM 888 NH2 ARG A 55 8.997 10.570 11.594 1.00 31.13 N ATOM 0 H ARG A 55 10.545 10.271 4.411 1.00 74.30 H new ATOM 0 HA ARG A 55 10.449 7.379 4.173 1.00 51.42 H new ATOM 0 HB2 ARG A 55 9.483 7.051 6.419 1.00 73.14 H new ATOM 0 HB3 ARG A 55 11.186 7.461 6.448 1.00 73.14 H new ATOM 0 HG2 ARG A 55 10.547 9.852 7.013 1.00 33.22 H new ATOM 0 HG3 ARG A 55 8.872 9.343 7.106 1.00 33.22 H new ATOM 0 HD2 ARG A 55 9.473 7.719 8.918 1.00 34.03 H new ATOM 0 HD3 ARG A 55 11.142 8.245 8.830 1.00 34.03 H new ATOM 0 HE ARG A 55 10.119 10.605 9.388 1.00 14.54 H new ATOM 0 HH11 ARG A 55 8.905 7.506 10.615 1.00 40.42 H new ATOM 0 HH12 ARG A 55 8.277 8.221 12.104 1.00 40.42 H new ATOM 0 HH21 ARG A 55 9.330 11.488 11.299 1.00 31.13 H new ATOM 0 HH22 ARG A 55 8.517 10.464 12.488 1.00 31.13 H new ATOM 902 N SER A 56 7.930 7.566 3.962 1.00 14.14 N ATOM 903 CA SER A 56 6.551 7.688 3.480 1.00 61.30 C ATOM 904 C SER A 56 5.689 6.622 4.154 1.00 32.42 C ATOM 905 O SER A 56 6.205 5.579 4.574 1.00 44.11 O ATOM 906 CB SER A 56 6.525 7.524 1.946 1.00 64.00 C ATOM 907 OG SER A 56 7.080 6.280 1.552 1.00 71.31 O ATOM 0 H SER A 56 8.254 6.600 4.013 1.00 14.14 H new ATOM 0 HA SER A 56 6.152 8.672 3.729 1.00 61.30 H new ATOM 0 HB2 SER A 56 5.498 7.596 1.588 1.00 64.00 H new ATOM 0 HB3 SER A 56 7.083 8.337 1.482 1.00 64.00 H new ATOM 0 HG SER A 56 7.938 6.432 1.104 1.00 71.31 H new ATOM 913 N ARG A 57 4.385 6.878 4.265 1.00 73.21 N ATOM 914 CA ARG A 57 3.425 5.913 4.807 1.00 23.45 C ATOM 915 C ARG A 57 2.268 5.742 3.823 1.00 33.13 C ATOM 916 O ARG A 57 1.545 6.697 3.518 1.00 11.33 O ATOM 917 CB ARG A 57 2.938 6.350 6.212 1.00 72.13 C ATOM 918 CG ARG A 57 2.316 7.753 6.311 1.00 63.23 C ATOM 919 CD ARG A 57 2.094 8.192 7.764 1.00 4.04 C ATOM 920 NE ARG A 57 3.367 8.257 8.520 1.00 53.14 N ATOM 921 CZ ARG A 57 4.126 9.354 8.674 1.00 14.33 C ATOM 922 NH1 ARG A 57 3.761 10.523 8.136 1.00 2.51 N ATOM 923 NH2 ARG A 57 5.251 9.285 9.377 1.00 20.12 N ATOM 0 H ARG A 57 3.963 7.762 3.981 1.00 73.21 H new ATOM 0 HA ARG A 57 3.911 4.945 4.932 1.00 23.45 H new ATOM 0 HB2 ARG A 57 2.203 5.624 6.560 1.00 72.13 H new ATOM 0 HB3 ARG A 57 3.784 6.301 6.898 1.00 72.13 H new ATOM 0 HG2 ARG A 57 2.966 8.472 5.812 1.00 63.23 H new ATOM 0 HG3 ARG A 57 1.363 7.764 5.781 1.00 63.23 H new ATOM 0 HD2 ARG A 57 1.612 9.170 7.779 1.00 4.04 H new ATOM 0 HD3 ARG A 57 1.415 7.495 8.255 1.00 4.04 H new ATOM 0 HE ARG A 57 3.694 7.397 8.960 1.00 53.14 H new ATOM 0 HH11 ARG A 57 2.896 10.590 7.600 1.00 2.51 H new ATOM 0 HH12 ARG A 57 4.348 11.348 8.262 1.00 2.51 H new ATOM 0 HH21 ARG A 57 5.536 8.401 9.798 1.00 20.12 H new ATOM 0 HH22 ARG A 57 5.830 10.116 9.496 1.00 20.12 H new ATOM 937 N THR A 58 2.135 4.529 3.281 1.00 73.42 N ATOM 938 CA THR A 58 1.027 4.174 2.397 1.00 10.53 C ATOM 939 C THR A 58 -0.037 3.447 3.226 1.00 34.13 C ATOM 940 O THR A 58 0.268 2.469 3.919 1.00 51.44 O ATOM 941 CB THR A 58 1.496 3.269 1.219 1.00 61.32 C ATOM 942 OG1 THR A 58 2.647 3.840 0.582 1.00 34.04 O ATOM 943 CG2 THR A 58 0.390 3.063 0.167 1.00 51.11 C ATOM 0 H THR A 58 2.793 3.767 3.444 1.00 73.42 H new ATOM 0 HA THR A 58 0.618 5.085 1.960 1.00 10.53 H new ATOM 0 HB THR A 58 1.745 2.297 1.645 1.00 61.32 H new ATOM 0 HG1 THR A 58 3.408 3.817 1.199 1.00 34.04 H new ATOM 0 HG21 THR A 58 0.764 2.426 -0.634 1.00 51.11 H new ATOM 0 HG22 THR A 58 -0.473 2.589 0.635 1.00 51.11 H new ATOM 0 HG23 THR A 58 0.095 4.028 -0.245 1.00 51.11 H new ATOM 951 N SER A 59 -1.261 3.958 3.174 1.00 74.22 N ATOM 952 CA SER A 59 -2.404 3.409 3.891 1.00 64.02 C ATOM 953 C SER A 59 -3.321 2.689 2.885 1.00 11.55 C ATOM 954 O SER A 59 -3.830 3.315 1.963 1.00 42.10 O ATOM 955 CB SER A 59 -3.134 4.579 4.594 1.00 14.14 C ATOM 956 OG SER A 59 -2.252 5.297 5.445 1.00 34.23 O ATOM 0 H SER A 59 -1.491 4.783 2.620 1.00 74.22 H new ATOM 0 HA SER A 59 -2.096 2.684 4.644 1.00 64.02 H new ATOM 0 HB2 SER A 59 -3.551 5.253 3.846 1.00 14.14 H new ATOM 0 HB3 SER A 59 -3.971 4.192 5.176 1.00 14.14 H new ATOM 0 HG SER A 59 -2.738 6.031 5.875 1.00 34.23 H new ATOM 962 N ILE A 60 -3.518 1.373 3.063 1.00 33.40 N ATOM 963 CA ILE A 60 -4.370 0.546 2.176 1.00 35.42 C ATOM 964 C ILE A 60 -5.572 0.022 2.974 1.00 31.45 C ATOM 965 O ILE A 60 -5.392 -0.504 4.077 1.00 72.42 O ATOM 966 CB ILE A 60 -3.563 -0.661 1.561 1.00 62.34 C ATOM 967 CG1 ILE A 60 -2.382 -0.142 0.678 1.00 22.51 C ATOM 968 CG2 ILE A 60 -4.483 -1.617 0.756 1.00 72.45 C ATOM 969 CD1 ILE A 60 -1.569 -1.236 0.006 1.00 72.22 C ATOM 0 H ILE A 60 -3.093 0.846 3.826 1.00 33.40 H new ATOM 0 HA ILE A 60 -4.714 1.168 1.350 1.00 35.42 H new ATOM 0 HB ILE A 60 -3.146 -1.235 2.388 1.00 62.34 H new ATOM 0 HG12 ILE A 60 -2.783 0.519 -0.090 1.00 22.51 H new ATOM 0 HG13 ILE A 60 -1.717 0.458 1.299 1.00 22.51 H new ATOM 0 HG21 ILE A 60 -3.890 -2.435 0.348 1.00 72.45 H new ATOM 0 HG22 ILE A 60 -5.253 -2.020 1.413 1.00 72.45 H new ATOM 0 HG23 ILE A 60 -4.953 -1.068 -0.060 1.00 72.45 H new ATOM 0 HD11 ILE A 60 -0.772 -0.786 -0.586 1.00 72.22 H new ATOM 0 HD12 ILE A 60 -1.134 -1.885 0.766 1.00 72.22 H new ATOM 0 HD13 ILE A 60 -2.217 -1.823 -0.645 1.00 72.22 H new ATOM 981 N THR A 61 -6.788 0.175 2.415 1.00 40.35 N ATOM 982 CA THR A 61 -8.028 -0.271 3.063 1.00 24.20 C ATOM 983 C THR A 61 -8.038 -1.806 3.243 1.00 53.53 C ATOM 984 O THR A 61 -7.943 -2.557 2.267 1.00 40.24 O ATOM 985 CB THR A 61 -9.270 0.176 2.238 1.00 61.20 C ATOM 986 OG1 THR A 61 -9.222 1.593 2.020 1.00 53.32 O ATOM 987 CG2 THR A 61 -10.590 -0.182 2.936 1.00 12.12 C ATOM 0 H THR A 61 -6.934 0.610 1.504 1.00 40.35 H new ATOM 0 HA THR A 61 -8.074 0.193 4.048 1.00 24.20 H new ATOM 0 HB THR A 61 -9.238 -0.357 1.288 1.00 61.20 H new ATOM 0 HG1 THR A 61 -10.134 1.945 1.953 1.00 53.32 H new ATOM 0 HG21 THR A 61 -11.428 0.150 2.322 1.00 12.12 H new ATOM 0 HG22 THR A 61 -10.647 -1.262 3.075 1.00 12.12 H new ATOM 0 HG23 THR A 61 -10.634 0.311 3.907 1.00 12.12 H new ATOM 995 N ALA A 62 -8.136 -2.237 4.506 1.00 74.23 N ATOM 996 CA ALA A 62 -8.119 -3.642 4.903 1.00 75.43 C ATOM 997 C ALA A 62 -8.884 -3.781 6.225 1.00 3.32 C ATOM 998 O ALA A 62 -8.302 -3.657 7.292 1.00 34.43 O ATOM 999 CB ALA A 62 -6.663 -4.121 5.028 1.00 61.21 C ATOM 0 H ALA A 62 -8.232 -1.600 5.297 1.00 74.23 H new ATOM 0 HA ALA A 62 -8.606 -4.267 4.154 1.00 75.43 H new ATOM 0 HB1 ALA A 62 -6.649 -5.170 5.324 1.00 61.21 H new ATOM 0 HB2 ALA A 62 -6.159 -4.009 4.068 1.00 61.21 H new ATOM 0 HB3 ALA A 62 -6.147 -3.525 5.780 1.00 61.21 H new ATOM 1005 N ARG A 63 -10.204 -3.982 6.133 1.00 75.21 N ATOM 1006 CA ARG A 63 -11.113 -3.969 7.310 1.00 43.41 C ATOM 1007 C ARG A 63 -11.060 -5.308 8.059 1.00 2.11 C ATOM 1008 O ARG A 63 -11.157 -5.332 9.288 1.00 64.43 O ATOM 1009 CB ARG A 63 -12.592 -3.591 6.928 1.00 35.13 C ATOM 1010 CG ARG A 63 -13.096 -4.133 5.563 1.00 21.50 C ATOM 1011 CD ARG A 63 -12.712 -3.208 4.379 1.00 42.14 C ATOM 1012 NE ARG A 63 -12.639 -3.925 3.094 1.00 73.51 N ATOM 1013 CZ ARG A 63 -12.746 -3.358 1.883 1.00 51.10 C ATOM 1014 NH1 ARG A 63 -12.954 -2.047 1.761 1.00 44.23 N ATOM 1015 NH2 ARG A 63 -12.591 -4.096 0.795 1.00 3.35 N ATOM 0 H ARG A 63 -10.681 -4.159 5.249 1.00 75.21 H new ATOM 0 HA ARG A 63 -10.754 -3.186 7.978 1.00 43.41 H new ATOM 0 HB2 ARG A 63 -13.255 -3.959 7.711 1.00 35.13 H new ATOM 0 HB3 ARG A 63 -12.679 -2.505 6.921 1.00 35.13 H new ATOM 0 HG2 ARG A 63 -12.680 -5.126 5.394 1.00 21.50 H new ATOM 0 HG3 ARG A 63 -14.180 -4.243 5.597 1.00 21.50 H new ATOM 0 HD2 ARG A 63 -13.444 -2.404 4.300 1.00 42.14 H new ATOM 0 HD3 ARG A 63 -11.748 -2.743 4.585 1.00 42.14 H new ATOM 0 HE ARG A 63 -12.495 -4.934 3.128 1.00 73.51 H new ATOM 0 HH11 ARG A 63 -13.033 -1.464 2.594 1.00 44.23 H new ATOM 0 HH12 ARG A 63 -13.034 -1.627 0.835 1.00 44.23 H new ATOM 0 HH21 ARG A 63 -12.391 -5.093 0.879 1.00 3.35 H new ATOM 0 HH22 ARG A 63 -12.672 -3.668 -0.127 1.00 3.35 H new ATOM 1029 N THR A 64 -10.919 -6.415 7.315 1.00 20.41 N ATOM 1030 CA THR A 64 -10.770 -7.759 7.910 1.00 21.13 C ATOM 1031 C THR A 64 -9.283 -8.113 8.050 1.00 71.34 C ATOM 1032 O THR A 64 -8.430 -7.516 7.378 1.00 10.34 O ATOM 1033 CB THR A 64 -11.509 -8.853 7.068 1.00 3.44 C ATOM 1034 OG1 THR A 64 -10.969 -8.912 5.744 1.00 34.15 O ATOM 1035 CG2 THR A 64 -13.023 -8.581 6.991 1.00 3.21 C ATOM 0 H THR A 64 -10.905 -6.409 6.295 1.00 20.41 H new ATOM 0 HA THR A 64 -11.230 -7.736 8.898 1.00 21.13 H new ATOM 0 HB THR A 64 -11.356 -9.809 7.569 1.00 3.44 H new ATOM 0 HG1 THR A 64 -11.157 -8.072 5.276 1.00 34.15 H new ATOM 0 HG21 THR A 64 -13.503 -9.360 6.399 1.00 3.21 H new ATOM 0 HG22 THR A 64 -13.444 -8.578 7.997 1.00 3.21 H new ATOM 0 HG23 THR A 64 -13.195 -7.612 6.523 1.00 3.21 H new ATOM 1043 N LYS A 65 -8.990 -9.097 8.921 1.00 50.43 N ATOM 1044 CA LYS A 65 -7.617 -9.568 9.181 1.00 31.23 C ATOM 1045 C LYS A 65 -7.033 -10.261 7.936 1.00 44.35 C ATOM 1046 O LYS A 65 -5.826 -10.225 7.717 1.00 45.03 O ATOM 1047 CB LYS A 65 -7.592 -10.535 10.393 1.00 24.34 C ATOM 1048 CG LYS A 65 -8.275 -9.989 11.668 1.00 74.21 C ATOM 1049 CD LYS A 65 -8.053 -10.881 12.911 1.00 11.44 C ATOM 1050 CE LYS A 65 -8.537 -12.326 12.719 1.00 41.54 C ATOM 1051 NZ LYS A 65 -8.319 -13.147 13.939 1.00 74.54 N ATOM 0 H LYS A 65 -9.700 -9.588 9.465 1.00 50.43 H new ATOM 0 HA LYS A 65 -7.001 -8.700 9.415 1.00 31.23 H new ATOM 0 HB2 LYS A 65 -8.079 -11.467 10.107 1.00 24.34 H new ATOM 0 HB3 LYS A 65 -6.555 -10.776 10.627 1.00 24.34 H new ATOM 0 HG2 LYS A 65 -7.895 -8.988 11.875 1.00 74.21 H new ATOM 0 HG3 LYS A 65 -9.345 -9.892 11.485 1.00 74.21 H new ATOM 0 HD2 LYS A 65 -6.991 -10.891 13.157 1.00 11.44 H new ATOM 0 HD3 LYS A 65 -8.573 -10.441 13.762 1.00 11.44 H new ATOM 0 HE2 LYS A 65 -9.597 -12.324 12.467 1.00 41.54 H new ATOM 0 HE3 LYS A 65 -8.010 -12.777 11.878 1.00 41.54 H new ATOM 0 HZ1 LYS A 65 -8.658 -14.116 13.771 1.00 74.54 H new ATOM 0 HZ2 LYS A 65 -7.304 -13.170 14.165 1.00 74.54 H new ATOM 0 HZ3 LYS A 65 -8.842 -12.731 14.736 1.00 74.54 H new ATOM 1065 N LYS A 66 -7.926 -10.878 7.129 1.00 4.45 N ATOM 1066 CA LYS A 66 -7.571 -11.514 5.845 1.00 41.11 C ATOM 1067 C LYS A 66 -6.932 -10.492 4.892 1.00 75.32 C ATOM 1068 O LYS A 66 -5.876 -10.742 4.303 1.00 42.15 O ATOM 1069 CB LYS A 66 -8.832 -12.127 5.176 1.00 62.11 C ATOM 1070 CG LYS A 66 -9.500 -13.268 5.972 1.00 12.43 C ATOM 1071 CD LYS A 66 -10.640 -13.971 5.189 1.00 35.12 C ATOM 1072 CE LYS A 66 -10.151 -14.660 3.902 1.00 10.42 C ATOM 1073 NZ LYS A 66 -9.031 -15.601 4.165 1.00 32.32 N ATOM 0 H LYS A 66 -8.918 -10.948 7.354 1.00 4.45 H new ATOM 0 HA LYS A 66 -6.852 -12.307 6.050 1.00 41.11 H new ATOM 0 HB2 LYS A 66 -9.564 -11.335 5.021 1.00 62.11 H new ATOM 0 HB3 LYS A 66 -8.556 -12.504 4.191 1.00 62.11 H new ATOM 0 HG2 LYS A 66 -8.744 -14.006 6.242 1.00 12.43 H new ATOM 0 HG3 LYS A 66 -9.901 -12.867 6.903 1.00 12.43 H new ATOM 0 HD2 LYS A 66 -11.113 -14.712 5.834 1.00 35.12 H new ATOM 0 HD3 LYS A 66 -11.404 -13.237 4.934 1.00 35.12 H new ATOM 0 HE2 LYS A 66 -10.979 -15.201 3.443 1.00 10.42 H new ATOM 0 HE3 LYS A 66 -9.829 -13.904 3.186 1.00 10.42 H new ATOM 0 HZ1 LYS A 66 -8.833 -16.154 3.307 1.00 32.32 H new ATOM 0 HZ2 LYS A 66 -8.182 -15.064 4.434 1.00 32.32 H new ATOM 0 HZ3 LYS A 66 -9.293 -16.245 4.939 1.00 32.32 H new ATOM 1087 N GLU A 67 -7.598 -9.336 4.771 1.00 63.43 N ATOM 1088 CA GLU A 67 -7.146 -8.220 3.933 1.00 53.32 C ATOM 1089 C GLU A 67 -5.877 -7.572 4.511 1.00 32.41 C ATOM 1090 O GLU A 67 -4.994 -7.134 3.762 1.00 41.31 O ATOM 1091 CB GLU A 67 -8.286 -7.200 3.791 1.00 55.05 C ATOM 1092 CG GLU A 67 -9.526 -7.747 3.058 1.00 54.14 C ATOM 1093 CD GLU A 67 -10.691 -6.756 3.058 1.00 44.44 C ATOM 1094 OE1 GLU A 67 -11.099 -6.328 4.157 1.00 21.13 O ATOM 1095 OE2 GLU A 67 -11.226 -6.422 1.979 1.00 50.35 O ATOM 0 H GLU A 67 -8.475 -9.148 5.258 1.00 63.43 H new ATOM 0 HA GLU A 67 -6.886 -8.596 2.944 1.00 53.32 H new ATOM 0 HB2 GLU A 67 -8.583 -6.861 4.784 1.00 55.05 H new ATOM 0 HB3 GLU A 67 -7.915 -6.327 3.254 1.00 55.05 H new ATOM 0 HG2 GLU A 67 -9.259 -7.989 2.029 1.00 54.14 H new ATOM 0 HG3 GLU A 67 -9.844 -8.676 3.531 1.00 54.14 H new ATOM 1102 N ALA A 68 -5.791 -7.555 5.854 1.00 65.40 N ATOM 1103 CA ALA A 68 -4.624 -7.044 6.595 1.00 32.13 C ATOM 1104 C ALA A 68 -3.367 -7.902 6.362 1.00 71.40 C ATOM 1105 O ALA A 68 -2.254 -7.470 6.657 1.00 11.13 O ATOM 1106 CB ALA A 68 -4.955 -6.943 8.086 1.00 53.41 C ATOM 0 H ALA A 68 -6.536 -7.899 6.460 1.00 65.40 H new ATOM 0 HA ALA A 68 -4.396 -6.048 6.215 1.00 32.13 H new ATOM 0 HB1 ALA A 68 -4.087 -6.565 8.626 1.00 53.41 H new ATOM 0 HB2 ALA A 68 -5.795 -6.263 8.227 1.00 53.41 H new ATOM 0 HB3 ALA A 68 -5.218 -7.929 8.468 1.00 53.41 H new ATOM 1112 N GLU A 69 -3.570 -9.140 5.894 1.00 5.01 N ATOM 1113 CA GLU A 69 -2.485 -10.039 5.491 1.00 45.10 C ATOM 1114 C GLU A 69 -2.086 -9.800 4.020 1.00 1.23 C ATOM 1115 O GLU A 69 -0.938 -9.452 3.729 1.00 64.34 O ATOM 1116 CB GLU A 69 -2.933 -11.507 5.710 1.00 52.44 C ATOM 1117 CG GLU A 69 -3.165 -11.894 7.185 1.00 42.13 C ATOM 1118 CD GLU A 69 -1.895 -11.818 8.052 1.00 11.30 C ATOM 1119 OE1 GLU A 69 -1.140 -12.811 8.097 1.00 3.33 O ATOM 1120 OE2 GLU A 69 -1.638 -10.768 8.690 1.00 60.23 O ATOM 0 H GLU A 69 -4.499 -9.547 5.784 1.00 5.01 H new ATOM 0 HA GLU A 69 -1.607 -9.836 6.103 1.00 45.10 H new ATOM 0 HB2 GLU A 69 -3.854 -11.679 5.154 1.00 52.44 H new ATOM 0 HB3 GLU A 69 -2.178 -12.170 5.288 1.00 52.44 H new ATOM 0 HG2 GLU A 69 -3.924 -11.236 7.609 1.00 42.13 H new ATOM 0 HG3 GLU A 69 -3.563 -12.908 7.227 1.00 42.13 H new ATOM 1127 N LYS A 70 -3.064 -9.966 3.112 1.00 61.01 N ATOM 1128 CA LYS A 70 -2.827 -10.021 1.648 1.00 74.33 C ATOM 1129 C LYS A 70 -2.416 -8.649 1.052 1.00 23.20 C ATOM 1130 O LYS A 70 -1.417 -8.566 0.331 1.00 12.04 O ATOM 1131 CB LYS A 70 -4.089 -10.604 0.942 1.00 23.10 C ATOM 1132 CG LYS A 70 -5.401 -9.830 1.205 1.00 21.12 C ATOM 1133 CD LYS A 70 -6.696 -10.578 0.790 1.00 44.15 C ATOM 1134 CE LYS A 70 -6.904 -10.695 -0.730 1.00 33.43 C ATOM 1135 NZ LYS A 70 -5.969 -11.651 -1.392 1.00 1.34 N ATOM 0 H LYS A 70 -4.046 -10.067 3.368 1.00 61.01 H new ATOM 0 HA LYS A 70 -1.978 -10.681 1.468 1.00 74.33 H new ATOM 0 HB2 LYS A 70 -3.908 -10.627 -0.133 1.00 23.10 H new ATOM 0 HB3 LYS A 70 -4.223 -11.636 1.265 1.00 23.10 H new ATOM 0 HG2 LYS A 70 -5.460 -9.594 2.268 1.00 21.12 H new ATOM 0 HG3 LYS A 70 -5.360 -8.881 0.670 1.00 21.12 H new ATOM 0 HD2 LYS A 70 -6.676 -11.580 1.220 1.00 44.15 H new ATOM 0 HD3 LYS A 70 -7.553 -10.063 1.223 1.00 44.15 H new ATOM 0 HE2 LYS A 70 -7.929 -11.010 -0.924 1.00 33.43 H new ATOM 0 HE3 LYS A 70 -6.782 -9.710 -1.181 1.00 33.43 H new ATOM 0 HZ1 LYS A 70 -6.478 -12.180 -2.129 1.00 1.34 H new ATOM 0 HZ2 LYS A 70 -5.183 -11.125 -1.824 1.00 1.34 H new ATOM 0 HZ3 LYS A 70 -5.594 -12.316 -0.685 1.00 1.34 H new ATOM 1149 N PHE A 71 -3.172 -7.579 1.384 1.00 23.15 N ATOM 1150 CA PHE A 71 -2.934 -6.220 0.838 1.00 34.10 C ATOM 1151 C PHE A 71 -1.657 -5.614 1.432 1.00 12.32 C ATOM 1152 O PHE A 71 -0.920 -4.886 0.751 1.00 64.02 O ATOM 1153 CB PHE A 71 -4.148 -5.288 1.113 1.00 15.12 C ATOM 1154 CG PHE A 71 -5.474 -5.710 0.461 1.00 21.12 C ATOM 1155 CD1 PHE A 71 -5.502 -6.492 -0.697 1.00 23.13 C ATOM 1156 CD2 PHE A 71 -6.697 -5.316 1.010 1.00 61.30 C ATOM 1157 CE1 PHE A 71 -6.697 -6.860 -1.280 1.00 75.34 C ATOM 1158 CE2 PHE A 71 -7.894 -5.687 0.421 1.00 10.25 C ATOM 1159 CZ PHE A 71 -7.894 -6.462 -0.719 1.00 31.32 C ATOM 0 H PHE A 71 -3.958 -7.629 2.032 1.00 23.15 H new ATOM 0 HA PHE A 71 -2.809 -6.311 -0.241 1.00 34.10 H new ATOM 0 HB2 PHE A 71 -4.298 -5.226 2.191 1.00 15.12 H new ATOM 0 HB3 PHE A 71 -3.898 -4.285 0.768 1.00 15.12 H new ATOM 0 HD1 PHE A 71 -4.572 -6.814 -1.143 1.00 23.13 H new ATOM 0 HD2 PHE A 71 -6.709 -4.714 1.906 1.00 61.30 H new ATOM 0 HE1 PHE A 71 -6.696 -7.461 -2.177 1.00 75.34 H new ATOM 0 HE2 PHE A 71 -8.830 -5.368 0.856 1.00 10.25 H new ATOM 0 HZ PHE A 71 -8.829 -6.757 -1.172 1.00 31.32 H new ATOM 1169 N ALA A 72 -1.417 -5.929 2.717 1.00 15.33 N ATOM 1170 CA ALA A 72 -0.220 -5.495 3.433 1.00 40.21 C ATOM 1171 C ALA A 72 1.035 -6.117 2.817 1.00 75.25 C ATOM 1172 O ALA A 72 2.017 -5.417 2.604 1.00 43.44 O ATOM 1173 CB ALA A 72 -0.320 -5.855 4.912 1.00 70.23 C ATOM 0 H ALA A 72 -2.052 -6.492 3.282 1.00 15.33 H new ATOM 0 HA ALA A 72 -0.145 -4.411 3.344 1.00 40.21 H new ATOM 0 HB1 ALA A 72 0.581 -5.524 5.429 1.00 70.23 H new ATOM 0 HB2 ALA A 72 -1.190 -5.364 5.348 1.00 70.23 H new ATOM 0 HB3 ALA A 72 -0.422 -6.935 5.017 1.00 70.23 H new ATOM 1179 N ALA A 73 0.966 -7.431 2.500 1.00 54.00 N ATOM 1180 CA ALA A 73 2.101 -8.191 1.939 1.00 11.40 C ATOM 1181 C ALA A 73 2.648 -7.523 0.666 1.00 2.04 C ATOM 1182 O ALA A 73 3.855 -7.282 0.560 1.00 42.12 O ATOM 1183 CB ALA A 73 1.682 -9.645 1.658 1.00 22.41 C ATOM 0 H ALA A 73 0.123 -7.991 2.627 1.00 54.00 H new ATOM 0 HA ALA A 73 2.903 -8.196 2.677 1.00 11.40 H new ATOM 0 HB1 ALA A 73 2.528 -10.194 1.245 1.00 22.41 H new ATOM 0 HB2 ALA A 73 1.362 -10.117 2.587 1.00 22.41 H new ATOM 0 HB3 ALA A 73 0.859 -9.655 0.943 1.00 22.41 H new ATOM 1189 N ILE A 74 1.723 -7.171 -0.251 1.00 22.25 N ATOM 1190 CA ILE A 74 2.037 -6.477 -1.516 1.00 75.31 C ATOM 1191 C ILE A 74 2.791 -5.154 -1.235 1.00 14.30 C ATOM 1192 O ILE A 74 3.756 -4.819 -1.927 1.00 23.32 O ATOM 1193 CB ILE A 74 0.715 -6.177 -2.332 1.00 22.20 C ATOM 1194 CG1 ILE A 74 -0.113 -7.488 -2.562 1.00 1.12 C ATOM 1195 CG2 ILE A 74 1.030 -5.481 -3.683 1.00 12.23 C ATOM 1196 CD1 ILE A 74 -1.479 -7.285 -3.216 1.00 24.31 C ATOM 0 H ILE A 74 0.728 -7.363 -0.132 1.00 22.25 H new ATOM 0 HA ILE A 74 2.676 -7.130 -2.111 1.00 75.31 H new ATOM 0 HB ILE A 74 0.110 -5.492 -1.737 1.00 22.20 H new ATOM 0 HG12 ILE A 74 0.473 -8.165 -3.183 1.00 1.12 H new ATOM 0 HG13 ILE A 74 -0.257 -7.982 -1.601 1.00 1.12 H new ATOM 0 HG21 ILE A 74 0.100 -5.289 -4.219 1.00 12.23 H new ATOM 0 HG22 ILE A 74 1.542 -4.537 -3.495 1.00 12.23 H new ATOM 0 HG23 ILE A 74 1.669 -6.127 -4.285 1.00 12.23 H new ATOM 0 HD11 ILE A 74 -1.974 -8.249 -3.332 1.00 24.31 H new ATOM 0 HD12 ILE A 74 -2.090 -6.637 -2.588 1.00 24.31 H new ATOM 0 HD13 ILE A 74 -1.349 -6.824 -4.195 1.00 24.31 H new ATOM 1208 N LEU A 75 2.359 -4.450 -0.176 1.00 21.33 N ATOM 1209 CA LEU A 75 2.907 -3.142 0.205 1.00 73.11 C ATOM 1210 C LEU A 75 4.297 -3.269 0.872 1.00 32.01 C ATOM 1211 O LEU A 75 5.154 -2.394 0.700 1.00 71.43 O ATOM 1212 CB LEU A 75 1.912 -2.406 1.131 1.00 1.25 C ATOM 1213 CG LEU A 75 2.250 -0.917 1.441 1.00 12.33 C ATOM 1214 CD1 LEU A 75 2.408 -0.096 0.141 1.00 41.01 C ATOM 1215 CD2 LEU A 75 1.189 -0.301 2.374 1.00 1.30 C ATOM 0 H LEU A 75 1.616 -4.776 0.442 1.00 21.33 H new ATOM 0 HA LEU A 75 3.047 -2.556 -0.704 1.00 73.11 H new ATOM 0 HB2 LEU A 75 0.922 -2.447 0.676 1.00 1.25 H new ATOM 0 HB3 LEU A 75 1.852 -2.949 2.074 1.00 1.25 H new ATOM 0 HG LEU A 75 3.208 -0.887 1.960 1.00 12.33 H new ATOM 0 HD11 LEU A 75 2.643 0.939 0.390 1.00 41.01 H new ATOM 0 HD12 LEU A 75 3.214 -0.517 -0.460 1.00 41.01 H new ATOM 0 HD13 LEU A 75 1.478 -0.130 -0.426 1.00 41.01 H new ATOM 0 HD21 LEU A 75 1.444 0.739 2.578 1.00 1.30 H new ATOM 0 HD22 LEU A 75 0.211 -0.348 1.894 1.00 1.30 H new ATOM 0 HD23 LEU A 75 1.161 -0.858 3.310 1.00 1.30 H new ATOM 1227 N ILE A 76 4.516 -4.368 1.628 1.00 50.45 N ATOM 1228 CA ILE A 76 5.830 -4.680 2.222 1.00 21.33 C ATOM 1229 C ILE A 76 6.857 -4.922 1.087 1.00 2.42 C ATOM 1230 O ILE A 76 8.017 -4.523 1.210 1.00 4.43 O ATOM 1231 CB ILE A 76 5.750 -5.911 3.244 1.00 15.04 C ATOM 1232 CG1 ILE A 76 5.350 -5.455 4.692 1.00 43.34 C ATOM 1233 CG2 ILE A 76 7.070 -6.719 3.322 1.00 40.41 C ATOM 1234 CD1 ILE A 76 4.015 -4.769 4.833 1.00 55.13 C ATOM 0 H ILE A 76 3.793 -5.056 1.841 1.00 50.45 H new ATOM 0 HA ILE A 76 6.162 -3.828 2.816 1.00 21.33 H new ATOM 0 HB ILE A 76 4.971 -6.558 2.841 1.00 15.04 H new ATOM 0 HG12 ILE A 76 5.354 -6.332 5.340 1.00 43.34 H new ATOM 0 HG13 ILE A 76 6.122 -4.781 5.063 1.00 43.34 H new ATOM 0 HG21 ILE A 76 6.953 -7.539 4.030 1.00 40.41 H new ATOM 0 HG22 ILE A 76 7.309 -7.121 2.338 1.00 40.41 H new ATOM 0 HG23 ILE A 76 7.877 -6.066 3.653 1.00 40.41 H new ATOM 0 HD11 ILE A 76 3.852 -4.502 5.877 1.00 55.13 H new ATOM 0 HD12 ILE A 76 4.003 -3.867 4.222 1.00 55.13 H new ATOM 0 HD13 ILE A 76 3.224 -5.442 4.502 1.00 55.13 H new ATOM 1246 N LYS A 77 6.394 -5.547 -0.029 1.00 54.04 N ATOM 1247 CA LYS A 77 7.214 -5.731 -1.252 1.00 0.11 C ATOM 1248 C LYS A 77 7.610 -4.364 -1.856 1.00 72.55 C ATOM 1249 O LYS A 77 8.785 -4.147 -2.147 1.00 0.22 O ATOM 1250 CB LYS A 77 6.485 -6.619 -2.330 1.00 32.30 C ATOM 1251 CG LYS A 77 6.716 -8.161 -2.258 1.00 75.41 C ATOM 1252 CD LYS A 77 5.968 -8.897 -1.113 1.00 60.02 C ATOM 1253 CE LYS A 77 6.671 -8.822 0.256 1.00 3.23 C ATOM 1254 NZ LYS A 77 8.054 -9.362 0.212 1.00 64.53 N ATOM 0 H LYS A 77 5.453 -5.932 -0.104 1.00 54.04 H new ATOM 0 HA LYS A 77 8.119 -6.261 -0.953 1.00 0.11 H new ATOM 0 HB2 LYS A 77 5.414 -6.434 -2.252 1.00 32.30 H new ATOM 0 HB3 LYS A 77 6.797 -6.276 -3.317 1.00 32.30 H new ATOM 0 HG2 LYS A 77 6.413 -8.601 -3.208 1.00 75.41 H new ATOM 0 HG3 LYS A 77 7.785 -8.346 -2.148 1.00 75.41 H new ATOM 0 HD2 LYS A 77 4.968 -8.474 -1.018 1.00 60.02 H new ATOM 0 HD3 LYS A 77 5.847 -9.945 -1.389 1.00 60.02 H new ATOM 0 HE2 LYS A 77 6.699 -7.785 0.591 1.00 3.23 H new ATOM 0 HE3 LYS A 77 6.090 -9.379 0.991 1.00 3.23 H new ATOM 0 HZ1 LYS A 77 8.374 -9.575 1.178 1.00 64.53 H new ATOM 0 HZ2 LYS A 77 8.069 -10.232 -0.358 1.00 64.53 H new ATOM 0 HZ3 LYS A 77 8.688 -8.657 -0.216 1.00 64.53 H new ATOM 1268 N VAL A 78 6.616 -3.456 -1.998 1.00 25.32 N ATOM 1269 CA VAL A 78 6.807 -2.092 -2.558 1.00 52.04 C ATOM 1270 C VAL A 78 7.947 -1.340 -1.829 1.00 4.44 C ATOM 1271 O VAL A 78 8.851 -0.780 -2.462 1.00 50.31 O ATOM 1272 CB VAL A 78 5.461 -1.262 -2.466 1.00 40.31 C ATOM 1273 CG1 VAL A 78 5.642 0.207 -2.911 1.00 20.25 C ATOM 1274 CG2 VAL A 78 4.340 -1.941 -3.288 1.00 4.41 C ATOM 0 H VAL A 78 5.652 -3.648 -1.726 1.00 25.32 H new ATOM 0 HA VAL A 78 7.087 -2.199 -3.606 1.00 52.04 H new ATOM 0 HB VAL A 78 5.171 -1.247 -1.415 1.00 40.31 H new ATOM 0 HG11 VAL A 78 4.690 0.732 -2.829 1.00 20.25 H new ATOM 0 HG12 VAL A 78 6.380 0.692 -2.273 1.00 20.25 H new ATOM 0 HG13 VAL A 78 5.983 0.234 -3.946 1.00 20.25 H new ATOM 0 HG21 VAL A 78 3.425 -1.354 -3.210 1.00 4.41 H new ATOM 0 HG22 VAL A 78 4.643 -2.004 -4.333 1.00 4.41 H new ATOM 0 HG23 VAL A 78 4.161 -2.944 -2.901 1.00 4.41 H new ATOM 1284 N TYR A 79 7.887 -1.383 -0.490 1.00 41.54 N ATOM 1285 CA TYR A 79 8.876 -0.750 0.400 1.00 40.14 C ATOM 1286 C TYR A 79 10.221 -1.496 0.381 1.00 13.01 C ATOM 1287 O TYR A 79 11.276 -0.869 0.508 1.00 35.12 O ATOM 1288 CB TYR A 79 8.308 -0.659 1.848 1.00 52.45 C ATOM 1289 CG TYR A 79 7.343 0.518 2.074 1.00 65.31 C ATOM 1290 CD1 TYR A 79 6.198 0.687 1.287 1.00 41.23 C ATOM 1291 CD2 TYR A 79 7.599 1.478 3.060 1.00 54.03 C ATOM 1292 CE1 TYR A 79 5.351 1.760 1.478 1.00 61.12 C ATOM 1293 CE2 TYR A 79 6.755 2.551 3.249 1.00 3.41 C ATOM 1294 CZ TYR A 79 5.634 2.686 2.458 1.00 43.01 C ATOM 1295 OH TYR A 79 4.799 3.760 2.639 1.00 45.31 O ATOM 0 H TYR A 79 7.142 -1.864 0.013 1.00 41.54 H new ATOM 0 HA TYR A 79 9.066 0.258 0.032 1.00 40.14 H new ATOM 0 HB2 TYR A 79 7.790 -1.589 2.082 1.00 52.45 H new ATOM 0 HB3 TYR A 79 9.139 -0.572 2.548 1.00 52.45 H new ATOM 0 HD1 TYR A 79 5.973 -0.035 0.516 1.00 41.23 H new ATOM 0 HD2 TYR A 79 8.474 1.376 3.684 1.00 54.03 H new ATOM 0 HE1 TYR A 79 4.471 1.873 0.862 1.00 61.12 H new ATOM 0 HE2 TYR A 79 6.971 3.283 4.013 1.00 3.41 H new ATOM 0 HH TYR A 79 5.102 4.283 3.410 1.00 45.31 H new ATOM 1305 N ALA A 80 10.173 -2.828 0.207 1.00 10.34 N ATOM 1306 CA ALA A 80 11.381 -3.673 0.186 1.00 63.22 C ATOM 1307 C ALA A 80 12.200 -3.460 -1.109 1.00 61.12 C ATOM 1308 O ALA A 80 13.390 -3.762 -1.141 1.00 34.23 O ATOM 1309 CB ALA A 80 11.007 -5.151 0.352 1.00 41.35 C ATOM 0 H ALA A 80 9.304 -3.346 0.078 1.00 10.34 H new ATOM 0 HA ALA A 80 12.009 -3.376 1.026 1.00 63.22 H new ATOM 0 HB1 ALA A 80 11.911 -5.759 0.334 1.00 41.35 H new ATOM 0 HB2 ALA A 80 10.494 -5.292 1.303 1.00 41.35 H new ATOM 0 HB3 ALA A 80 10.350 -5.454 -0.463 1.00 41.35 H new ATOM 1315 N GLU A 81 11.538 -2.981 -2.176 1.00 34.30 N ATOM 1316 CA GLU A 81 12.198 -2.645 -3.456 1.00 54.41 C ATOM 1317 C GLU A 81 12.856 -1.251 -3.384 1.00 61.34 C ATOM 1318 O GLU A 81 13.889 -1.006 -4.017 1.00 44.33 O ATOM 1319 CB GLU A 81 11.171 -2.716 -4.610 1.00 4.55 C ATOM 1320 CG GLU A 81 10.533 -4.109 -4.792 1.00 52.53 C ATOM 1321 CD GLU A 81 9.469 -4.140 -5.895 1.00 73.00 C ATOM 1322 OE1 GLU A 81 9.837 -4.342 -7.076 1.00 42.41 O ATOM 1323 OE2 GLU A 81 8.269 -3.935 -5.598 1.00 40.24 O ATOM 0 H GLU A 81 10.532 -2.815 -2.179 1.00 34.30 H new ATOM 0 HA GLU A 81 12.987 -3.372 -3.648 1.00 54.41 H new ATOM 0 HB2 GLU A 81 10.382 -1.987 -4.427 1.00 4.55 H new ATOM 0 HB3 GLU A 81 11.662 -2.428 -5.539 1.00 4.55 H new ATOM 0 HG2 GLU A 81 11.314 -4.832 -5.027 1.00 52.53 H new ATOM 0 HG3 GLU A 81 10.082 -4.422 -3.850 1.00 52.53 H new ATOM 1330 N LEU A 82 12.239 -0.352 -2.601 1.00 13.22 N ATOM 1331 CA LEU A 82 12.747 1.018 -2.362 1.00 43.23 C ATOM 1332 C LEU A 82 13.856 1.028 -1.287 1.00 13.22 C ATOM 1333 O LEU A 82 14.679 1.955 -1.232 1.00 35.11 O ATOM 1334 CB LEU A 82 11.565 1.925 -1.943 1.00 12.44 C ATOM 1335 CG LEU A 82 10.488 2.149 -3.044 1.00 13.24 C ATOM 1336 CD1 LEU A 82 9.241 2.854 -2.484 1.00 41.21 C ATOM 1337 CD2 LEU A 82 11.088 2.929 -4.238 1.00 45.44 C ATOM 0 H LEU A 82 11.367 -0.552 -2.110 1.00 13.22 H new ATOM 0 HA LEU A 82 13.191 1.398 -3.282 1.00 43.23 H new ATOM 0 HB2 LEU A 82 11.084 1.488 -1.068 1.00 12.44 H new ATOM 0 HB3 LEU A 82 11.960 2.894 -1.639 1.00 12.44 H new ATOM 0 HG LEU A 82 10.167 1.171 -3.402 1.00 13.24 H new ATOM 0 HD11 LEU A 82 8.512 2.993 -3.282 1.00 41.21 H new ATOM 0 HD12 LEU A 82 8.802 2.244 -1.694 1.00 41.21 H new ATOM 0 HD13 LEU A 82 9.524 3.825 -2.078 1.00 41.21 H new ATOM 0 HD21 LEU A 82 10.321 3.077 -4.998 1.00 45.44 H new ATOM 0 HD22 LEU A 82 11.450 3.898 -3.895 1.00 45.44 H new ATOM 0 HD23 LEU A 82 11.916 2.362 -4.663 1.00 45.44 H new ATOM 1349 N GLY A 83 13.844 -0.004 -0.442 1.00 12.21 N ATOM 1350 CA GLY A 83 14.836 -0.191 0.604 1.00 2.12 C ATOM 1351 C GLY A 83 14.842 -1.641 1.032 1.00 45.43 C ATOM 1352 O GLY A 83 13.895 -2.080 1.690 1.00 75.21 O ATOM 0 H GLY A 83 13.136 -0.738 -0.469 1.00 12.21 H new ATOM 0 HA2 GLY A 83 15.823 0.097 0.241 1.00 2.12 H new ATOM 0 HA3 GLY A 83 14.609 0.451 1.455 1.00 2.12 H new ATOM 1403 N ILE A 87 10.684 -4.563 6.854 1.00 44.01 N ATOM 1404 CA ILE A 87 9.600 -3.576 6.701 1.00 73.30 C ATOM 1405 C ILE A 87 8.565 -3.789 7.825 1.00 51.34 C ATOM 1406 O ILE A 87 8.321 -4.926 8.241 1.00 50.42 O ATOM 1407 CB ILE A 87 8.922 -3.708 5.280 1.00 72.11 C ATOM 1408 CG1 ILE A 87 9.991 -3.698 4.125 1.00 61.41 C ATOM 1409 CG2 ILE A 87 7.868 -2.603 5.049 1.00 2.24 C ATOM 1410 CD1 ILE A 87 10.855 -2.445 4.045 1.00 65.35 C ATOM 0 HA ILE A 87 10.012 -2.570 6.777 1.00 73.30 H new ATOM 0 HB ILE A 87 8.413 -4.671 5.261 1.00 72.11 H new ATOM 0 HG12 ILE A 87 10.644 -4.562 4.250 1.00 61.41 H new ATOM 0 HG13 ILE A 87 9.474 -3.824 3.174 1.00 61.41 H new ATOM 0 HG21 ILE A 87 7.423 -2.726 4.062 1.00 2.24 H new ATOM 0 HG22 ILE A 87 7.091 -2.677 5.809 1.00 2.24 H new ATOM 0 HG23 ILE A 87 8.346 -1.625 5.113 1.00 2.24 H new ATOM 0 HD11 ILE A 87 11.557 -2.540 3.217 1.00 65.35 H new ATOM 0 HD12 ILE A 87 10.219 -1.574 3.884 1.00 65.35 H new ATOM 0 HD13 ILE A 87 11.407 -2.324 4.977 1.00 65.35 H new ATOM 1422 N ASN A 88 7.981 -2.691 8.330 1.00 31.11 N ATOM 1423 CA ASN A 88 6.968 -2.742 9.403 1.00 33.32 C ATOM 1424 C ASN A 88 5.556 -2.859 8.807 1.00 14.52 C ATOM 1425 O ASN A 88 5.230 -2.165 7.848 1.00 0.33 O ATOM 1426 CB ASN A 88 7.075 -1.470 10.270 1.00 11.11 C ATOM 1427 CG ASN A 88 6.095 -1.408 11.445 1.00 21.40 C ATOM 1428 OD1 ASN A 88 5.705 -2.426 12.013 1.00 54.21 O ATOM 1429 ND2 ASN A 88 5.709 -0.203 11.828 1.00 52.40 N ATOM 0 H ASN A 88 8.194 -1.746 8.010 1.00 31.11 H new ATOM 0 HA ASN A 88 7.151 -3.620 10.023 1.00 33.32 H new ATOM 0 HB2 ASN A 88 8.091 -1.397 10.658 1.00 11.11 H new ATOM 0 HB3 ASN A 88 6.913 -0.600 9.634 1.00 11.11 H new ATOM 0 HD21 ASN A 88 5.070 -0.099 12.616 1.00 52.40 H new ATOM 0 HD22 ASN A 88 6.051 0.622 11.336 1.00 52.40 H new ATOM 1436 N VAL A 89 4.734 -3.744 9.386 1.00 22.05 N ATOM 1437 CA VAL A 89 3.311 -3.869 9.049 1.00 34.03 C ATOM 1438 C VAL A 89 2.479 -3.462 10.286 1.00 45.50 C ATOM 1439 O VAL A 89 2.453 -4.160 11.306 1.00 73.50 O ATOM 1440 CB VAL A 89 2.953 -5.322 8.527 1.00 73.35 C ATOM 1441 CG1 VAL A 89 3.480 -6.434 9.466 1.00 14.02 C ATOM 1442 CG2 VAL A 89 1.430 -5.467 8.274 1.00 45.12 C ATOM 0 H VAL A 89 5.041 -4.398 10.106 1.00 22.05 H new ATOM 0 HA VAL A 89 3.069 -3.200 8.223 1.00 34.03 H new ATOM 0 HB VAL A 89 3.466 -5.451 7.574 1.00 73.35 H new ATOM 0 HG11 VAL A 89 3.208 -7.410 9.063 1.00 14.02 H new ATOM 0 HG12 VAL A 89 4.565 -6.362 9.542 1.00 14.02 H new ATOM 0 HG13 VAL A 89 3.038 -6.314 10.455 1.00 14.02 H new ATOM 0 HG21 VAL A 89 1.215 -6.474 7.917 1.00 45.12 H new ATOM 0 HG22 VAL A 89 0.888 -5.288 9.203 1.00 45.12 H new ATOM 0 HG23 VAL A 89 1.115 -4.741 7.524 1.00 45.12 H new ATOM 1452 N THR A 90 1.843 -2.284 10.200 1.00 22.21 N ATOM 1453 CA THR A 90 0.998 -1.736 11.268 1.00 12.30 C ATOM 1454 C THR A 90 -0.441 -1.585 10.751 1.00 2.14 C ATOM 1455 O THR A 90 -0.681 -0.889 9.762 1.00 62.32 O ATOM 1456 CB THR A 90 1.550 -0.356 11.766 1.00 53.01 C ATOM 1457 OG1 THR A 90 2.908 -0.511 12.223 1.00 3.22 O ATOM 1458 CG2 THR A 90 0.699 0.239 12.903 1.00 44.52 C ATOM 0 H THR A 90 1.902 -1.681 9.380 1.00 22.21 H new ATOM 0 HA THR A 90 1.008 -2.423 12.115 1.00 12.30 H new ATOM 0 HB THR A 90 1.507 0.332 10.922 1.00 53.01 H new ATOM 0 HG1 THR A 90 3.092 0.142 12.930 1.00 3.22 H new ATOM 0 HG21 THR A 90 1.123 1.194 13.213 1.00 44.52 H new ATOM 0 HG22 THR A 90 -0.322 0.391 12.552 1.00 44.52 H new ATOM 0 HG23 THR A 90 0.693 -0.447 13.750 1.00 44.52 H new ATOM 1466 N TRP A 91 -1.381 -2.258 11.420 1.00 34.14 N ATOM 1467 CA TRP A 91 -2.810 -2.226 11.087 1.00 41.24 C ATOM 1468 C TRP A 91 -3.593 -1.736 12.308 1.00 72.05 C ATOM 1469 O TRP A 91 -3.473 -2.318 13.390 1.00 74.24 O ATOM 1470 CB TRP A 91 -3.263 -3.644 10.663 1.00 64.44 C ATOM 1471 CG TRP A 91 -4.735 -3.767 10.352 1.00 34.20 C ATOM 1472 CD1 TRP A 91 -5.469 -2.961 9.533 1.00 4.23 C ATOM 1473 CD2 TRP A 91 -5.641 -4.763 10.844 1.00 62.41 C ATOM 1474 NE1 TRP A 91 -6.762 -3.378 9.500 1.00 12.31 N ATOM 1475 CE2 TRP A 91 -6.894 -4.493 10.277 1.00 11.42 C ATOM 1476 CE3 TRP A 91 -5.510 -5.862 11.693 1.00 44.11 C ATOM 1477 CZ2 TRP A 91 -8.014 -5.263 10.539 1.00 60.45 C ATOM 1478 CZ3 TRP A 91 -6.624 -6.633 11.953 1.00 74.22 C ATOM 1479 CH2 TRP A 91 -7.862 -6.333 11.370 1.00 21.23 C ATOM 0 H TRP A 91 -1.168 -2.851 12.222 1.00 34.14 H new ATOM 0 HA TRP A 91 -2.997 -1.543 10.258 1.00 41.24 H new ATOM 0 HB2 TRP A 91 -2.693 -3.946 9.784 1.00 64.44 H new ATOM 0 HB3 TRP A 91 -3.014 -4.344 11.460 1.00 64.44 H new ATOM 0 HD1 TRP A 91 -5.079 -2.113 8.989 1.00 4.23 H new ATOM 0 HE1 TRP A 91 -7.514 -2.929 8.978 1.00 12.31 H new ATOM 0 HE3 TRP A 91 -4.556 -6.104 12.138 1.00 44.11 H new ATOM 0 HZ2 TRP A 91 -8.972 -5.025 10.102 1.00 60.45 H new ATOM 0 HZ3 TRP A 91 -6.540 -7.481 12.616 1.00 74.22 H new ATOM 0 HH2 TRP A 91 -8.713 -6.962 11.583 1.00 21.23 H new ATOM 1490 N ASP A 92 -4.399 -0.673 12.126 1.00 43.32 N ATOM 1491 CA ASP A 92 -5.159 -0.052 13.230 1.00 35.12 C ATOM 1492 C ASP A 92 -6.471 -0.817 13.481 1.00 53.40 C ATOM 1493 O ASP A 92 -6.903 -0.956 14.624 1.00 42.32 O ATOM 1494 CB ASP A 92 -5.446 1.454 12.935 1.00 73.12 C ATOM 1495 CG ASP A 92 -6.633 1.698 11.976 1.00 21.12 C ATOM 1496 OD1 ASP A 92 -6.546 1.309 10.796 1.00 44.22 O ATOM 1497 OD2 ASP A 92 -7.673 2.254 12.407 1.00 42.51 O ATOM 0 H ASP A 92 -4.542 -0.224 11.221 1.00 43.32 H new ATOM 0 HA ASP A 92 -4.550 -0.107 14.132 1.00 35.12 H new ATOM 0 HB2 ASP A 92 -5.644 1.966 13.877 1.00 73.12 H new ATOM 0 HB3 ASP A 92 -4.550 1.906 12.509 1.00 73.12 H new ATOM 1502 N GLY A 93 -7.099 -1.304 12.394 1.00 70.40 N ATOM 1503 CA GLY A 93 -8.378 -2.001 12.497 1.00 23.33 C ATOM 1504 C GLY A 93 -9.224 -1.888 11.236 1.00 61.13 C ATOM 1505 O GLY A 93 -10.154 -2.673 11.047 1.00 12.01 O ATOM 0 H GLY A 93 -6.738 -1.224 11.444 1.00 70.40 H new ATOM 0 HA2 GLY A 93 -8.195 -3.054 12.711 1.00 23.33 H new ATOM 0 HA3 GLY A 93 -8.938 -1.597 13.340 1.00 23.33 H new ATOM 1509 N ASP A 94 -8.911 -0.908 10.374 1.00 11.52 N ATOM 1510 CA ASP A 94 -9.658 -0.684 9.105 1.00 42.32 C ATOM 1511 C ASP A 94 -8.696 -0.440 7.933 1.00 55.01 C ATOM 1512 O ASP A 94 -9.064 -0.645 6.773 1.00 34.01 O ATOM 1513 CB ASP A 94 -10.645 0.512 9.268 1.00 14.13 C ATOM 1514 CG ASP A 94 -11.516 0.797 8.019 1.00 34.12 C ATOM 1515 OD1 ASP A 94 -12.509 0.074 7.794 1.00 22.52 O ATOM 1516 OD2 ASP A 94 -11.208 1.747 7.256 1.00 15.21 O ATOM 0 H ASP A 94 -8.145 -0.251 10.524 1.00 11.52 H new ATOM 0 HA ASP A 94 -10.232 -1.583 8.881 1.00 42.32 H new ATOM 0 HB2 ASP A 94 -11.301 0.313 10.116 1.00 14.13 H new ATOM 0 HB3 ASP A 94 -10.074 1.408 9.510 1.00 14.13 H new ATOM 1521 N THR A 95 -7.467 0.001 8.238 1.00 44.33 N ATOM 1522 CA THR A 95 -6.482 0.384 7.216 1.00 1.33 C ATOM 1523 C THR A 95 -5.055 0.005 7.677 1.00 12.54 C ATOM 1524 O THR A 95 -4.690 0.242 8.835 1.00 5.53 O ATOM 1525 CB THR A 95 -6.582 1.922 6.940 1.00 0.12 C ATOM 1526 OG1 THR A 95 -7.935 2.272 6.581 1.00 11.25 O ATOM 1527 CG2 THR A 95 -5.643 2.374 5.823 1.00 33.44 C ATOM 0 H THR A 95 -7.129 0.102 9.195 1.00 44.33 H new ATOM 0 HA THR A 95 -6.695 -0.155 6.293 1.00 1.33 H new ATOM 0 HB THR A 95 -6.286 2.429 7.858 1.00 0.12 H new ATOM 0 HG1 THR A 95 -7.990 3.236 6.411 1.00 11.25 H new ATOM 0 HG21 THR A 95 -5.750 3.448 5.670 1.00 33.44 H new ATOM 0 HG22 THR A 95 -4.613 2.148 6.099 1.00 33.44 H new ATOM 0 HG23 THR A 95 -5.895 1.849 4.901 1.00 33.44 H new ATOM 1535 N VAL A 96 -4.259 -0.607 6.776 1.00 52.24 N ATOM 1536 CA VAL A 96 -2.855 -0.960 7.052 1.00 32.42 C ATOM 1537 C VAL A 96 -1.942 0.190 6.596 1.00 31.05 C ATOM 1538 O VAL A 96 -1.845 0.471 5.397 1.00 31.43 O ATOM 1539 CB VAL A 96 -2.408 -2.282 6.322 1.00 5.21 C ATOM 1540 CG1 VAL A 96 -0.950 -2.658 6.697 1.00 31.43 C ATOM 1541 CG2 VAL A 96 -3.373 -3.445 6.630 1.00 45.44 C ATOM 0 H VAL A 96 -4.572 -0.869 5.841 1.00 52.24 H new ATOM 0 HA VAL A 96 -2.770 -1.128 8.126 1.00 32.42 H new ATOM 0 HB VAL A 96 -2.444 -2.096 5.249 1.00 5.21 H new ATOM 0 HG11 VAL A 96 -0.666 -3.574 6.180 1.00 31.43 H new ATOM 0 HG12 VAL A 96 -0.279 -1.852 6.402 1.00 31.43 H new ATOM 0 HG13 VAL A 96 -0.880 -2.812 7.774 1.00 31.43 H new ATOM 0 HG21 VAL A 96 -3.037 -4.343 6.112 1.00 45.44 H new ATOM 0 HG22 VAL A 96 -3.388 -3.630 7.704 1.00 45.44 H new ATOM 0 HG23 VAL A 96 -4.376 -3.185 6.292 1.00 45.44 H new ATOM 1551 N THR A 97 -1.291 0.847 7.560 1.00 44.41 N ATOM 1552 CA THR A 97 -0.342 1.932 7.300 1.00 10.30 C ATOM 1553 C THR A 97 1.087 1.422 7.561 1.00 32.02 C ATOM 1554 O THR A 97 1.443 1.107 8.700 1.00 25.33 O ATOM 1555 CB THR A 97 -0.664 3.162 8.201 1.00 32.24 C ATOM 1556 OG1 THR A 97 -2.035 3.557 7.988 1.00 34.02 O ATOM 1557 CG2 THR A 97 0.266 4.353 7.910 1.00 4.43 C ATOM 0 H THR A 97 -1.409 0.639 8.551 1.00 44.41 H new ATOM 0 HA THR A 97 -0.425 2.250 6.261 1.00 10.30 H new ATOM 0 HB THR A 97 -0.506 2.869 9.239 1.00 32.24 H new ATOM 0 HG1 THR A 97 -2.095 4.109 7.181 1.00 34.02 H new ATOM 0 HG21 THR A 97 0.004 5.187 8.561 1.00 4.43 H new ATOM 0 HG22 THR A 97 1.300 4.060 8.093 1.00 4.43 H new ATOM 0 HG23 THR A 97 0.154 4.657 6.869 1.00 4.43 H new ATOM 1565 N VAL A 98 1.879 1.305 6.491 1.00 0.15 N ATOM 1566 CA VAL A 98 3.264 0.812 6.549 1.00 41.14 C ATOM 1567 C VAL A 98 4.242 2.001 6.560 1.00 75.13 C ATOM 1568 O VAL A 98 4.303 2.762 5.590 1.00 2.12 O ATOM 1569 CB VAL A 98 3.535 -0.145 5.331 1.00 54.31 C ATOM 1570 CG1 VAL A 98 5.032 -0.477 5.152 1.00 61.12 C ATOM 1571 CG2 VAL A 98 2.697 -1.441 5.477 1.00 53.31 C ATOM 0 H VAL A 98 1.576 1.552 5.549 1.00 0.15 H new ATOM 0 HA VAL A 98 3.416 0.244 7.467 1.00 41.14 H new ATOM 0 HB VAL A 98 3.227 0.385 4.429 1.00 54.31 H new ATOM 0 HG11 VAL A 98 5.158 -1.141 4.297 1.00 61.12 H new ATOM 0 HG12 VAL A 98 5.591 0.443 4.983 1.00 61.12 H new ATOM 0 HG13 VAL A 98 5.406 -0.968 6.050 1.00 61.12 H new ATOM 0 HG21 VAL A 98 2.891 -2.097 4.629 1.00 53.31 H new ATOM 0 HG22 VAL A 98 2.972 -1.950 6.401 1.00 53.31 H new ATOM 0 HG23 VAL A 98 1.637 -1.188 5.504 1.00 53.31 H new ATOM 1581 N GLU A 99 4.970 2.169 7.685 1.00 34.53 N ATOM 1582 CA GLU A 99 5.965 3.244 7.854 1.00 45.33 C ATOM 1583 C GLU A 99 7.048 2.794 8.854 1.00 21.31 C ATOM 1584 O GLU A 99 6.722 2.260 9.927 1.00 3.05 O ATOM 1585 CB GLU A 99 5.254 4.553 8.318 1.00 12.41 C ATOM 1586 CG GLU A 99 6.096 5.862 8.234 1.00 65.13 C ATOM 1587 CD GLU A 99 6.885 6.188 9.516 1.00 4.12 C ATOM 1588 OE1 GLU A 99 6.265 6.690 10.485 1.00 3.10 O ATOM 1589 OE2 GLU A 99 8.110 5.943 9.563 1.00 13.41 O ATOM 0 H GLU A 99 4.883 1.562 8.500 1.00 34.53 H new ATOM 0 HA GLU A 99 6.454 3.452 6.903 1.00 45.33 H new ATOM 0 HB2 GLU A 99 4.354 4.685 7.717 1.00 12.41 H new ATOM 0 HB3 GLU A 99 4.931 4.420 9.350 1.00 12.41 H new ATOM 0 HG2 GLU A 99 6.795 5.778 7.402 1.00 65.13 H new ATOM 0 HG3 GLU A 99 5.430 6.695 8.009 1.00 65.13 H new ATOM 1596 N GLY A 100 8.324 3.019 8.480 1.00 13.22 N ATOM 1597 CA GLY A 100 9.478 2.723 9.339 1.00 24.32 C ATOM 1598 C GLY A 100 9.691 1.232 9.604 1.00 12.04 C ATOM 1599 O GLY A 100 9.396 0.388 8.742 1.00 45.23 O ATOM 0 H GLY A 100 8.578 3.411 7.573 1.00 13.22 H new ATOM 0 HA2 GLY A 100 10.376 3.131 8.876 1.00 24.32 H new ATOM 0 HA3 GLY A 100 9.349 3.236 10.292 1.00 24.32 H new