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 16 ASN : amide:sc= -0.673 X(o=1.5,f=1.8) USER MOD Set 1.2: A 56 SER OG : rot 75:sc= 0.0689 USER MOD Set 1.3: A 58 THR OG1 : rot 69:sc= 1.36 USER MOD Set 1.4: A 79 TYR OH : rot 180:sc= 0.777 USER MOD Set 2.1: A 27 TYR OH : rot 174:sc= -0.738 USER MOD Set 2.2: A 51 GLN : amide:sc= -2.2 X(o=-2.9,f=-2.6!) USER MOD Set 3.1: A 15 GLN :FLIP amide:sc= 0.315 X(o=0.21,f=0.32) USER MOD Set 3.2: A 17 ASN :FLIP amide:sc= -0.335 F(o=-2!,f=0.32) USER MOD Set 3.3: A 28 THR OG1 : rot -108:sc= 0.336 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 18 ASN : amide:sc= -0.145 X(o=-0.15,f=-0.077) USER MOD Single : A 19 THR OG1 : rot 36:sc= 0.534 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 76:sc= 0.241 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 K(o=0,f=-0.52) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= 0.452 (180deg=0.317) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -118:sc= 0.831 (180deg=-0.0365) USER MOD Single : A 53 CYS SG : rot 180:sc= 0.0137 USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= -0.999 (180deg=-1.74!) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0043 USER MOD Single : A 61 THR OG1 : rot -175:sc= 0.433 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -161:sc= -0.109 (180deg=-0.489) USER MOD Single : A 70 LYS NZ :NH3+ -179:sc= 0.694 (180deg=0.694) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0.00953 X(o=0.0095,f=-0.22) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 83:sc= 0.225 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N ASP A 11 -14.389 -0.198 -0.244 1.00 1.02 N ATOM 171 CA ASP A 11 -13.478 0.008 -1.386 1.00 75.10 C ATOM 172 C ASP A 11 -12.058 0.296 -0.889 1.00 72.32 C ATOM 173 O ASP A 11 -11.874 0.887 0.182 1.00 75.43 O ATOM 174 CB ASP A 11 -13.990 1.148 -2.297 1.00 71.32 C ATOM 175 CG ASP A 11 -15.366 0.824 -2.909 1.00 2.45 C ATOM 176 OD1 ASP A 11 -15.426 0.025 -3.865 1.00 34.15 O ATOM 177 OD2 ASP A 11 -16.393 1.350 -2.428 1.00 72.14 O ATOM 0 HA ASP A 11 -13.453 -0.906 -1.979 1.00 75.10 H new ATOM 0 HB2 ASP A 11 -14.058 2.070 -1.720 1.00 71.32 H new ATOM 0 HB3 ASP A 11 -13.270 1.324 -3.096 1.00 71.32 H new ATOM 182 N ILE A 12 -11.071 -0.123 -1.688 1.00 51.54 N ATOM 183 CA ILE A 12 -9.654 -0.050 -1.328 1.00 22.41 C ATOM 184 C ILE A 12 -9.129 1.381 -1.584 1.00 55.13 C ATOM 185 O ILE A 12 -8.894 1.762 -2.733 1.00 24.04 O ATOM 186 CB ILE A 12 -8.823 -1.082 -2.180 1.00 44.11 C ATOM 187 CG1 ILE A 12 -9.501 -2.492 -2.181 1.00 13.33 C ATOM 188 CG2 ILE A 12 -7.357 -1.166 -1.689 1.00 63.32 C ATOM 189 CD1 ILE A 12 -8.968 -3.440 -3.241 1.00 51.14 C ATOM 0 H ILE A 12 -11.236 -0.526 -2.610 1.00 51.54 H new ATOM 0 HA ILE A 12 -9.542 -0.295 -0.272 1.00 22.41 H new ATOM 0 HB ILE A 12 -8.806 -0.722 -3.209 1.00 44.11 H new ATOM 0 HG12 ILE A 12 -9.365 -2.948 -1.200 1.00 13.33 H new ATOM 0 HG13 ILE A 12 -10.574 -2.367 -2.328 1.00 13.33 H new ATOM 0 HG21 ILE A 12 -6.810 -1.887 -2.297 1.00 63.32 H new ATOM 0 HG22 ILE A 12 -6.887 -0.186 -1.777 1.00 63.32 H new ATOM 0 HG23 ILE A 12 -7.340 -1.484 -0.647 1.00 63.32 H new ATOM 0 HD11 ILE A 12 -9.491 -4.394 -3.172 1.00 51.14 H new ATOM 0 HD12 ILE A 12 -9.128 -3.008 -4.229 1.00 51.14 H new ATOM 0 HD13 ILE A 12 -7.901 -3.599 -3.083 1.00 51.14 H new ATOM 201 N GLN A 13 -8.971 2.170 -0.514 1.00 30.10 N ATOM 202 CA GLN A 13 -8.388 3.517 -0.595 1.00 64.44 C ATOM 203 C GLN A 13 -6.862 3.407 -0.444 1.00 70.35 C ATOM 204 O GLN A 13 -6.360 3.028 0.616 1.00 1.12 O ATOM 205 CB GLN A 13 -9.000 4.447 0.488 1.00 53.12 C ATOM 206 CG GLN A 13 -8.371 5.858 0.554 1.00 51.13 C ATOM 207 CD GLN A 13 -9.007 6.775 1.605 1.00 52.03 C ATOM 208 OE1 GLN A 13 -10.202 6.691 1.894 1.00 54.21 O ATOM 209 NE2 GLN A 13 -8.204 7.649 2.197 1.00 21.12 N ATOM 0 H GLN A 13 -9.242 1.895 0.430 1.00 30.10 H new ATOM 0 HA GLN A 13 -8.618 3.960 -1.564 1.00 64.44 H new ATOM 0 HB2 GLN A 13 -10.069 4.548 0.299 1.00 53.12 H new ATOM 0 HB3 GLN A 13 -8.892 3.969 1.462 1.00 53.12 H new ATOM 0 HG2 GLN A 13 -7.307 5.761 0.768 1.00 51.13 H new ATOM 0 HG3 GLN A 13 -8.458 6.329 -0.425 1.00 51.13 H new ATOM 0 HE21 GLN A 13 -7.219 7.695 1.936 1.00 21.12 H new ATOM 0 HE22 GLN A 13 -8.571 8.275 2.913 1.00 21.12 H new ATOM 218 N VAL A 14 -6.151 3.696 -1.540 1.00 23.21 N ATOM 219 CA VAL A 14 -4.686 3.637 -1.613 1.00 73.13 C ATOM 220 C VAL A 14 -4.129 5.067 -1.504 1.00 35.43 C ATOM 221 O VAL A 14 -4.285 5.854 -2.441 1.00 43.21 O ATOM 222 CB VAL A 14 -4.215 2.992 -2.976 1.00 33.33 C ATOM 223 CG1 VAL A 14 -2.707 2.658 -2.932 1.00 45.21 C ATOM 224 CG2 VAL A 14 -5.078 1.758 -3.339 1.00 51.41 C ATOM 0 H VAL A 14 -6.585 3.983 -2.417 1.00 23.21 H new ATOM 0 HA VAL A 14 -4.314 3.019 -0.796 1.00 73.13 H new ATOM 0 HB VAL A 14 -4.361 3.723 -3.771 1.00 33.33 H new ATOM 0 HG11 VAL A 14 -2.405 2.215 -3.881 1.00 45.21 H new ATOM 0 HG12 VAL A 14 -2.137 3.571 -2.760 1.00 45.21 H new ATOM 0 HG13 VAL A 14 -2.514 1.952 -2.124 1.00 45.21 H new ATOM 0 HG21 VAL A 14 -4.730 1.335 -4.282 1.00 51.41 H new ATOM 0 HG22 VAL A 14 -4.991 1.009 -2.552 1.00 51.41 H new ATOM 0 HG23 VAL A 14 -6.121 2.060 -3.439 1.00 51.41 H new ATOM 234 N GLN A 15 -3.494 5.411 -0.374 1.00 73.34 N ATOM 235 CA GLN A 15 -2.973 6.767 -0.147 1.00 34.00 C ATOM 236 C GLN A 15 -1.529 6.706 0.363 1.00 51.12 C ATOM 237 O GLN A 15 -1.268 6.092 1.387 1.00 60.30 O ATOM 238 CB GLN A 15 -3.874 7.547 0.848 1.00 14.34 C ATOM 239 CG GLN A 15 -3.417 9.001 1.096 1.00 34.24 C ATOM 240 CD GLN A 15 -4.320 9.767 2.063 1.00 74.43 C ATOM 241 OE1 GLN A 15 -5.328 10.457 1.537 1.00 40.22 O flip ATOM 242 NE2 GLN A 15 -4.109 9.742 3.278 1.00 50.54 N flip ATOM 0 H GLN A 15 -3.329 4.767 0.399 1.00 73.34 H new ATOM 0 HA GLN A 15 -2.982 7.300 -1.098 1.00 34.00 H new ATOM 0 HB2 GLN A 15 -4.895 7.557 0.467 1.00 14.34 H new ATOM 0 HB3 GLN A 15 -3.894 7.015 1.799 1.00 14.34 H new ATOM 0 HG2 GLN A 15 -2.401 8.992 1.490 1.00 34.24 H new ATOM 0 HG3 GLN A 15 -3.385 9.531 0.144 1.00 34.24 H new ATOM 0 HE21 GLN A 15 -3.327 9.202 3.649 1.00 50.54 H new ATOM 0 HE22 GLN A 15 -4.717 10.261 3.912 1.00 50.54 H new ATOM 251 N ASN A 16 -0.605 7.347 -0.364 1.00 54.33 N ATOM 252 CA ASN A 16 0.799 7.495 0.036 1.00 43.44 C ATOM 253 C ASN A 16 1.022 8.939 0.514 1.00 54.24 C ATOM 254 O ASN A 16 0.719 9.891 -0.210 1.00 53.11 O ATOM 255 CB ASN A 16 1.736 7.163 -1.153 1.00 44.24 C ATOM 256 CG ASN A 16 3.224 7.332 -0.818 1.00 30.43 C ATOM 257 OD1 ASN A 16 3.803 8.401 -1.006 1.00 3.01 O ATOM 258 ND2 ASN A 16 3.853 6.283 -0.312 1.00 13.44 N ATOM 0 H ASN A 16 -0.816 7.784 -1.261 1.00 54.33 H new ATOM 0 HA ASN A 16 1.029 6.802 0.845 1.00 43.44 H new ATOM 0 HB2 ASN A 16 1.557 6.136 -1.472 1.00 44.24 H new ATOM 0 HB3 ASN A 16 1.485 7.807 -1.996 1.00 44.24 H new ATOM 0 HD21 ASN A 16 4.841 6.350 -0.068 1.00 13.44 H new ATOM 0 HD22 ASN A 16 3.350 5.408 -0.166 1.00 13.44 H new ATOM 265 N ASN A 17 1.537 9.072 1.744 1.00 31.41 N ATOM 266 CA ASN A 17 1.814 10.358 2.405 1.00 54.22 C ATOM 267 C ASN A 17 3.316 10.608 2.355 1.00 14.40 C ATOM 268 O ASN A 17 4.095 9.747 2.754 1.00 70.14 O ATOM 269 CB ASN A 17 1.334 10.349 3.888 1.00 71.34 C ATOM 270 CG ASN A 17 -0.192 10.295 4.082 1.00 12.23 C ATOM 271 OD1 ASN A 17 -0.909 9.530 3.265 1.00 42.12 O flip ATOM 272 ND2 ASN A 17 -0.728 10.918 5.001 1.00 42.22 N flip ATOM 0 H ASN A 17 1.779 8.268 2.323 1.00 31.41 H new ATOM 0 HA ASN A 17 1.272 11.149 1.886 1.00 54.22 H new ATOM 0 HB2 ASN A 17 1.779 9.491 4.392 1.00 71.34 H new ATOM 0 HB3 ASN A 17 1.716 11.242 4.382 1.00 71.34 H new ATOM 0 HD21 ASN A 17 -0.164 11.501 5.619 1.00 42.22 H new ATOM 0 HD22 ASN A 17 -1.736 10.851 5.143 1.00 42.22 H new ATOM 279 N ASN A 18 3.734 11.783 1.883 1.00 31.43 N ATOM 280 CA ASN A 18 5.161 12.103 1.710 1.00 55.11 C ATOM 281 C ASN A 18 5.651 12.977 2.877 1.00 20.21 C ATOM 282 O ASN A 18 5.150 14.090 3.094 1.00 44.24 O ATOM 283 CB ASN A 18 5.389 12.786 0.330 1.00 41.12 C ATOM 284 CG ASN A 18 4.507 14.017 0.074 1.00 13.31 C ATOM 285 OD1 ASN A 18 4.888 15.151 0.369 1.00 11.31 O ATOM 286 ND2 ASN A 18 3.318 13.800 -0.480 1.00 75.45 N ATOM 0 H ASN A 18 3.103 12.537 1.611 1.00 31.43 H new ATOM 0 HA ASN A 18 5.747 11.184 1.722 1.00 55.11 H new ATOM 0 HB2 ASN A 18 6.435 13.082 0.254 1.00 41.12 H new ATOM 0 HB3 ASN A 18 5.207 12.055 -0.457 1.00 41.12 H new ATOM 0 HD21 ASN A 18 2.694 14.584 -0.672 1.00 75.45 H new ATOM 0 HD22 ASN A 18 3.030 12.850 -0.713 1.00 75.45 H new ATOM 293 N THR A 19 6.601 12.443 3.672 1.00 63.04 N ATOM 294 CA THR A 19 7.277 13.210 4.725 1.00 55.21 C ATOM 295 C THR A 19 8.606 13.729 4.162 1.00 23.22 C ATOM 296 O THR A 19 9.527 12.944 3.904 1.00 22.33 O ATOM 297 CB THR A 19 7.517 12.353 6.015 1.00 2.33 C ATOM 298 OG1 THR A 19 8.296 11.188 5.715 1.00 62.31 O ATOM 299 CG2 THR A 19 6.193 11.913 6.653 1.00 20.15 C ATOM 0 H THR A 19 6.915 11.475 3.599 1.00 63.04 H new ATOM 0 HA THR A 19 6.640 14.043 5.023 1.00 55.21 H new ATOM 0 HB THR A 19 8.057 12.985 6.720 1.00 2.33 H new ATOM 0 HG1 THR A 19 8.961 11.407 5.029 1.00 62.31 H new ATOM 0 HG21 THR A 19 6.398 11.321 7.545 1.00 20.15 H new ATOM 0 HG22 THR A 19 5.611 12.793 6.927 1.00 20.15 H new ATOM 0 HG23 THR A 19 5.628 11.312 5.941 1.00 20.15 H new ATOM 407 N TYR A 27 -0.382 11.112 -2.787 1.00 3.35 N ATOM 408 CA TYR A 27 -1.063 10.281 -3.797 1.00 45.33 C ATOM 409 C TYR A 27 -2.302 9.600 -3.209 1.00 4.30 C ATOM 410 O TYR A 27 -2.169 8.729 -2.363 1.00 42.25 O ATOM 411 CB TYR A 27 -0.100 9.197 -4.339 1.00 45.25 C ATOM 412 CG TYR A 27 1.227 9.727 -4.894 1.00 61.21 C ATOM 413 CD1 TYR A 27 2.332 9.904 -4.062 1.00 21.43 C ATOM 414 CD2 TYR A 27 1.382 10.024 -6.248 1.00 52.45 C ATOM 415 CE1 TYR A 27 3.530 10.358 -4.557 1.00 52.44 C ATOM 416 CE2 TYR A 27 2.588 10.484 -6.748 1.00 75.11 C ATOM 417 CZ TYR A 27 3.659 10.651 -5.895 1.00 20.33 C ATOM 418 OH TYR A 27 4.871 11.110 -6.381 1.00 14.13 O ATOM 0 HA TYR A 27 -1.374 10.938 -4.609 1.00 45.33 H new ATOM 0 HB2 TYR A 27 0.115 8.490 -3.538 1.00 45.25 H new ATOM 0 HB3 TYR A 27 -0.609 8.641 -5.126 1.00 45.25 H new ATOM 0 HD1 TYR A 27 2.244 9.680 -3.009 1.00 21.43 H new ATOM 0 HD2 TYR A 27 0.546 9.893 -6.919 1.00 52.45 H new ATOM 0 HE1 TYR A 27 4.373 10.485 -3.894 1.00 52.44 H new ATOM 0 HE2 TYR A 27 2.690 10.711 -7.799 1.00 75.11 H new ATOM 0 HH TYR A 27 4.827 11.178 -7.358 1.00 14.13 H new ATOM 428 N THR A 28 -3.502 10.018 -3.634 1.00 4.24 N ATOM 429 CA THR A 28 -4.758 9.409 -3.171 1.00 61.04 C ATOM 430 C THR A 28 -5.512 8.801 -4.359 1.00 63.25 C ATOM 431 O THR A 28 -5.768 9.472 -5.368 1.00 41.44 O ATOM 432 CB THR A 28 -5.654 10.442 -2.421 1.00 32.55 C ATOM 433 OG1 THR A 28 -4.871 11.086 -1.396 1.00 41.04 O ATOM 434 CG2 THR A 28 -6.883 9.767 -1.770 1.00 44.15 C ATOM 0 H THR A 28 -3.630 10.779 -4.301 1.00 4.24 H new ATOM 0 HA THR A 28 -4.511 8.618 -2.463 1.00 61.04 H new ATOM 0 HB THR A 28 -6.014 11.170 -3.148 1.00 32.55 H new ATOM 0 HG1 THR A 28 -5.156 10.764 -0.516 1.00 41.04 H new ATOM 0 HG21 THR A 28 -7.482 10.519 -1.257 1.00 44.15 H new ATOM 0 HG22 THR A 28 -7.485 9.287 -2.541 1.00 44.15 H new ATOM 0 HG23 THR A 28 -6.549 9.018 -1.052 1.00 44.15 H new ATOM 442 N TYR A 29 -5.812 7.507 -4.230 1.00 71.13 N ATOM 443 CA TYR A 29 -6.570 6.719 -5.203 1.00 3.43 C ATOM 444 C TYR A 29 -7.618 5.913 -4.430 1.00 53.22 C ATOM 445 O TYR A 29 -7.412 5.594 -3.252 1.00 23.11 O ATOM 446 CB TYR A 29 -5.627 5.751 -5.979 1.00 11.33 C ATOM 447 CG TYR A 29 -4.411 6.431 -6.626 1.00 14.31 C ATOM 448 CD1 TYR A 29 -4.538 7.189 -7.795 1.00 62.30 C ATOM 449 CD2 TYR A 29 -3.134 6.325 -6.059 1.00 71.21 C ATOM 450 CE1 TYR A 29 -3.441 7.808 -8.369 1.00 40.33 C ATOM 451 CE2 TYR A 29 -2.038 6.941 -6.633 1.00 14.22 C ATOM 452 CZ TYR A 29 -2.196 7.681 -7.785 1.00 13.30 C ATOM 453 OH TYR A 29 -1.104 8.303 -8.354 1.00 23.32 O ATOM 0 H TYR A 29 -5.524 6.961 -3.418 1.00 71.13 H new ATOM 0 HA TYR A 29 -7.045 7.378 -5.930 1.00 3.43 H new ATOM 0 HB2 TYR A 29 -5.275 4.980 -5.294 1.00 11.33 H new ATOM 0 HB3 TYR A 29 -6.203 5.248 -6.756 1.00 11.33 H new ATOM 0 HD1 TYR A 29 -5.508 7.293 -8.257 1.00 62.30 H new ATOM 0 HD2 TYR A 29 -3.003 5.750 -5.154 1.00 71.21 H new ATOM 0 HE1 TYR A 29 -3.558 8.389 -9.272 1.00 40.33 H new ATOM 0 HE2 TYR A 29 -1.062 6.843 -6.181 1.00 14.22 H new ATOM 0 HH TYR A 29 -0.305 8.114 -7.819 1.00 23.32 H new ATOM 463 N THR A 30 -8.747 5.613 -5.069 1.00 30.24 N ATOM 464 CA THR A 30 -9.750 4.688 -4.530 1.00 43.44 C ATOM 465 C THR A 30 -10.094 3.672 -5.624 1.00 24.54 C ATOM 466 O THR A 30 -10.759 4.009 -6.611 1.00 24.33 O ATOM 467 CB THR A 30 -11.030 5.442 -4.030 1.00 64.14 C ATOM 468 OG1 THR A 30 -10.646 6.435 -3.056 1.00 74.51 O ATOM 469 CG2 THR A 30 -12.055 4.475 -3.399 1.00 41.54 C ATOM 0 H THR A 30 -8.995 6.004 -5.978 1.00 30.24 H new ATOM 0 HA THR A 30 -9.342 4.176 -3.659 1.00 43.44 H new ATOM 0 HB THR A 30 -11.502 5.914 -4.892 1.00 64.14 H new ATOM 0 HG1 THR A 30 -11.443 6.910 -2.742 1.00 74.51 H new ATOM 0 HG21 THR A 30 -12.927 5.037 -3.065 1.00 41.54 H new ATOM 0 HG22 THR A 30 -12.361 3.735 -4.139 1.00 41.54 H new ATOM 0 HG23 THR A 30 -11.601 3.969 -2.547 1.00 41.54 H new ATOM 477 N VAL A 31 -9.585 2.446 -5.462 1.00 32.21 N ATOM 478 CA VAL A 31 -9.811 1.337 -6.392 1.00 25.04 C ATOM 479 C VAL A 31 -10.821 0.354 -5.771 1.00 54.02 C ATOM 480 O VAL A 31 -10.899 0.232 -4.545 1.00 75.54 O ATOM 481 CB VAL A 31 -8.447 0.623 -6.752 1.00 1.11 C ATOM 482 CG1 VAL A 31 -7.434 1.629 -7.367 1.00 2.44 C ATOM 483 CG2 VAL A 31 -7.826 -0.098 -5.536 1.00 3.54 C ATOM 0 H VAL A 31 -8.996 2.194 -4.669 1.00 32.21 H new ATOM 0 HA VAL A 31 -10.226 1.720 -7.324 1.00 25.04 H new ATOM 0 HB VAL A 31 -8.677 -0.138 -7.498 1.00 1.11 H new ATOM 0 HG11 VAL A 31 -6.505 1.111 -7.605 1.00 2.44 H new ATOM 0 HG12 VAL A 31 -7.854 2.057 -8.277 1.00 2.44 H new ATOM 0 HG13 VAL A 31 -7.232 2.425 -6.651 1.00 2.44 H new ATOM 0 HG21 VAL A 31 -6.891 -0.573 -5.833 1.00 3.54 H new ATOM 0 HG22 VAL A 31 -7.630 0.626 -4.745 1.00 3.54 H new ATOM 0 HG23 VAL A 31 -8.518 -0.857 -5.170 1.00 3.54 H new ATOM 493 N THR A 32 -11.620 -0.310 -6.607 1.00 21.13 N ATOM 494 CA THR A 32 -12.642 -1.265 -6.139 1.00 61.43 C ATOM 495 C THR A 32 -12.148 -2.715 -6.313 1.00 20.20 C ATOM 496 O THR A 32 -12.627 -3.633 -5.641 1.00 61.33 O ATOM 497 CB THR A 32 -14.006 -1.030 -6.879 1.00 61.14 C ATOM 498 OG1 THR A 32 -15.044 -1.820 -6.280 1.00 1.43 O ATOM 499 CG2 THR A 32 -13.932 -1.346 -8.378 1.00 10.41 C ATOM 0 H THR A 32 -11.583 -0.207 -7.621 1.00 21.13 H new ATOM 0 HA THR A 32 -12.812 -1.096 -5.076 1.00 61.43 H new ATOM 0 HB THR A 32 -14.233 0.031 -6.775 1.00 61.14 H new ATOM 0 HG1 THR A 32 -15.325 -1.406 -5.437 1.00 1.43 H new ATOM 0 HG21 THR A 32 -14.904 -1.165 -8.836 1.00 10.41 H new ATOM 0 HG22 THR A 32 -13.184 -0.707 -8.848 1.00 10.41 H new ATOM 0 HG23 THR A 32 -13.655 -2.391 -8.516 1.00 10.41 H new ATOM 507 N THR A 33 -11.164 -2.904 -7.209 1.00 73.42 N ATOM 508 CA THR A 33 -10.604 -4.219 -7.543 1.00 14.14 C ATOM 509 C THR A 33 -9.177 -4.359 -6.948 1.00 64.04 C ATOM 510 O THR A 33 -8.412 -3.384 -6.916 1.00 63.32 O ATOM 511 CB THR A 33 -10.573 -4.389 -9.100 1.00 22.41 C ATOM 512 OG1 THR A 33 -11.855 -4.042 -9.656 1.00 63.51 O ATOM 513 CG2 THR A 33 -10.214 -5.818 -9.528 1.00 72.24 C ATOM 0 H THR A 33 -10.732 -2.138 -7.726 1.00 73.42 H new ATOM 0 HA THR A 33 -11.230 -5.001 -7.113 1.00 14.14 H new ATOM 0 HB THR A 33 -9.798 -3.722 -9.477 1.00 22.41 H new ATOM 0 HG1 THR A 33 -11.829 -4.149 -10.630 1.00 63.51 H new ATOM 0 HG21 THR A 33 -10.207 -5.881 -10.616 1.00 72.24 H new ATOM 0 HG22 THR A 33 -9.228 -6.076 -9.143 1.00 72.24 H new ATOM 0 HG23 THR A 33 -10.953 -6.514 -9.129 1.00 72.24 H new ATOM 521 N GLU A 34 -8.838 -5.580 -6.489 1.00 55.03 N ATOM 522 CA GLU A 34 -7.528 -5.899 -5.873 1.00 73.31 C ATOM 523 C GLU A 34 -6.414 -5.958 -6.936 1.00 11.13 C ATOM 524 O GLU A 34 -5.233 -5.742 -6.622 1.00 33.11 O ATOM 525 CB GLU A 34 -7.634 -7.238 -5.100 1.00 63.51 C ATOM 526 CG GLU A 34 -8.792 -7.263 -4.081 1.00 1.15 C ATOM 527 CD GLU A 34 -8.907 -8.590 -3.326 1.00 74.41 C ATOM 528 OE1 GLU A 34 -8.182 -8.775 -2.326 1.00 42.13 O ATOM 529 OE2 GLU A 34 -9.692 -9.468 -3.751 1.00 21.24 O ATOM 0 H GLU A 34 -9.468 -6.381 -6.534 1.00 55.03 H new ATOM 0 HA GLU A 34 -7.264 -5.106 -5.173 1.00 73.31 H new ATOM 0 HB2 GLU A 34 -7.769 -8.052 -5.813 1.00 63.51 H new ATOM 0 HB3 GLU A 34 -6.695 -7.424 -4.578 1.00 63.51 H new ATOM 0 HG2 GLU A 34 -8.652 -6.455 -3.363 1.00 1.15 H new ATOM 0 HG3 GLU A 34 -9.729 -7.067 -4.602 1.00 1.15 H new ATOM 536 N SER A 35 -6.803 -6.255 -8.193 1.00 71.10 N ATOM 537 CA SER A 35 -5.891 -6.196 -9.351 1.00 25.11 C ATOM 538 C SER A 35 -5.399 -4.757 -9.564 1.00 13.22 C ATOM 539 O SER A 35 -4.219 -4.527 -9.857 1.00 51.23 O ATOM 540 CB SER A 35 -6.591 -6.706 -10.627 1.00 34.11 C ATOM 541 OG SER A 35 -7.140 -7.992 -10.417 1.00 13.12 O ATOM 0 H SER A 35 -7.753 -6.541 -8.432 1.00 71.10 H new ATOM 0 HA SER A 35 -5.036 -6.840 -9.145 1.00 25.11 H new ATOM 0 HB2 SER A 35 -7.380 -6.012 -10.917 1.00 34.11 H new ATOM 0 HB3 SER A 35 -5.877 -6.740 -11.450 1.00 34.11 H new ATOM 0 HG SER A 35 -7.581 -8.297 -11.237 1.00 13.12 H new ATOM 547 N GLU A 36 -6.328 -3.796 -9.387 1.00 61.13 N ATOM 548 CA GLU A 36 -6.022 -2.364 -9.478 1.00 31.13 C ATOM 549 C GLU A 36 -5.026 -1.967 -8.370 1.00 11.13 C ATOM 550 O GLU A 36 -4.044 -1.303 -8.649 1.00 4.14 O ATOM 551 CB GLU A 36 -7.304 -1.503 -9.386 1.00 23.02 C ATOM 552 CG GLU A 36 -8.339 -1.748 -10.492 1.00 22.23 C ATOM 553 CD GLU A 36 -9.563 -0.824 -10.368 1.00 1.42 C ATOM 554 OE1 GLU A 36 -10.337 -0.975 -9.395 1.00 21.44 O ATOM 555 OE2 GLU A 36 -9.753 0.063 -11.228 1.00 54.03 O ATOM 0 H GLU A 36 -7.306 -3.995 -9.178 1.00 61.13 H new ATOM 0 HA GLU A 36 -5.569 -2.176 -10.451 1.00 31.13 H new ATOM 0 HB2 GLU A 36 -7.777 -1.687 -8.421 1.00 23.02 H new ATOM 0 HB3 GLU A 36 -7.018 -0.451 -9.405 1.00 23.02 H new ATOM 0 HG2 GLU A 36 -7.870 -1.596 -11.464 1.00 22.23 H new ATOM 0 HG3 GLU A 36 -8.667 -2.787 -10.455 1.00 22.23 H new ATOM 562 N LEU A 37 -5.288 -2.432 -7.130 1.00 24.34 N ATOM 563 CA LEU A 37 -4.394 -2.214 -5.960 1.00 45.41 C ATOM 564 C LEU A 37 -2.942 -2.642 -6.290 1.00 22.41 C ATOM 565 O LEU A 37 -1.990 -1.888 -6.046 1.00 65.42 O ATOM 566 CB LEU A 37 -4.968 -3.003 -4.724 1.00 52.43 C ATOM 567 CG LEU A 37 -4.180 -2.961 -3.349 1.00 30.03 C ATOM 568 CD1 LEU A 37 -3.007 -3.971 -3.283 1.00 61.03 C ATOM 569 CD2 LEU A 37 -3.698 -1.533 -3.017 1.00 71.33 C ATOM 0 H LEU A 37 -6.125 -2.970 -6.906 1.00 24.34 H new ATOM 0 HA LEU A 37 -4.362 -1.153 -5.714 1.00 45.41 H new ATOM 0 HB2 LEU A 37 -5.976 -2.632 -4.537 1.00 52.43 H new ATOM 0 HB3 LEU A 37 -5.062 -4.049 -5.017 1.00 52.43 H new ATOM 0 HG LEU A 37 -4.896 -3.270 -2.587 1.00 30.03 H new ATOM 0 HD11 LEU A 37 -2.511 -3.890 -2.316 1.00 61.03 H new ATOM 0 HD12 LEU A 37 -3.391 -4.983 -3.410 1.00 61.03 H new ATOM 0 HD13 LEU A 37 -2.293 -3.752 -4.077 1.00 61.03 H new ATOM 0 HD21 LEU A 37 -3.162 -1.541 -2.068 1.00 71.33 H new ATOM 0 HD22 LEU A 37 -3.034 -1.181 -3.806 1.00 71.33 H new ATOM 0 HD23 LEU A 37 -4.558 -0.867 -2.942 1.00 71.33 H new ATOM 581 N GLN A 38 -2.819 -3.842 -6.875 1.00 13.20 N ATOM 582 CA GLN A 38 -1.530 -4.479 -7.193 1.00 11.34 C ATOM 583 C GLN A 38 -0.698 -3.621 -8.175 1.00 21.12 C ATOM 584 O GLN A 38 0.496 -3.375 -7.942 1.00 52.54 O ATOM 585 CB GLN A 38 -1.805 -5.893 -7.775 1.00 73.40 C ATOM 586 CG GLN A 38 -0.546 -6.737 -8.053 1.00 30.15 C ATOM 587 CD GLN A 38 -0.853 -8.147 -8.570 1.00 40.22 C ATOM 588 OE1 GLN A 38 -1.892 -8.731 -8.254 1.00 64.13 O ATOM 589 NE2 GLN A 38 0.055 -8.715 -9.347 1.00 64.25 N ATOM 0 H GLN A 38 -3.624 -4.407 -7.145 1.00 13.20 H new ATOM 0 HA GLN A 38 -0.939 -4.568 -6.281 1.00 11.34 H new ATOM 0 HB2 GLN A 38 -2.444 -6.438 -7.080 1.00 73.40 H new ATOM 0 HB3 GLN A 38 -2.365 -5.785 -8.704 1.00 73.40 H new ATOM 0 HG2 GLN A 38 0.075 -6.218 -8.784 1.00 30.15 H new ATOM 0 HG3 GLN A 38 0.039 -6.815 -7.136 1.00 30.15 H new ATOM 0 HE21 GLN A 38 0.905 -8.208 -9.592 1.00 64.25 H new ATOM 0 HE22 GLN A 38 -0.096 -9.660 -9.701 1.00 64.25 H new ATOM 598 N LYS A 39 -1.355 -3.138 -9.248 1.00 64.14 N ATOM 599 CA LYS A 39 -0.682 -2.362 -10.314 1.00 23.23 C ATOM 600 C LYS A 39 -0.484 -0.881 -9.910 1.00 50.22 C ATOM 601 O LYS A 39 0.427 -0.218 -10.423 1.00 62.21 O ATOM 602 CB LYS A 39 -1.471 -2.468 -11.651 1.00 71.32 C ATOM 603 CG LYS A 39 -2.887 -1.848 -11.617 1.00 75.10 C ATOM 604 CD LYS A 39 -3.657 -1.984 -12.948 1.00 23.51 C ATOM 605 CE LYS A 39 -3.943 -3.439 -13.339 1.00 51.34 C ATOM 606 NZ LYS A 39 -4.706 -3.522 -14.617 1.00 73.52 N ATOM 0 H LYS A 39 -2.355 -3.271 -9.402 1.00 64.14 H new ATOM 0 HA LYS A 39 0.308 -2.795 -10.459 1.00 23.23 H new ATOM 0 HB2 LYS A 39 -0.894 -1.980 -12.437 1.00 71.32 H new ATOM 0 HB3 LYS A 39 -1.556 -3.520 -11.924 1.00 71.32 H new ATOM 0 HG2 LYS A 39 -3.463 -2.324 -10.824 1.00 75.10 H new ATOM 0 HG3 LYS A 39 -2.805 -0.792 -11.361 1.00 75.10 H new ATOM 0 HD2 LYS A 39 -4.601 -1.444 -12.870 1.00 23.51 H new ATOM 0 HD3 LYS A 39 -3.082 -1.508 -13.742 1.00 23.51 H new ATOM 0 HE2 LYS A 39 -3.003 -3.981 -13.440 1.00 51.34 H new ATOM 0 HE3 LYS A 39 -4.508 -3.926 -12.544 1.00 51.34 H new ATOM 0 HZ1 LYS A 39 -4.882 -4.520 -14.852 1.00 73.52 H new ATOM 0 HZ2 LYS A 39 -5.614 -3.025 -14.512 1.00 73.52 H new ATOM 0 HZ3 LYS A 39 -4.155 -3.079 -15.380 1.00 73.52 H new ATOM 620 N VAL A 40 -1.348 -0.373 -8.995 1.00 62.45 N ATOM 621 CA VAL A 40 -1.226 0.999 -8.447 1.00 72.12 C ATOM 622 C VAL A 40 0.052 1.106 -7.607 1.00 41.14 C ATOM 623 O VAL A 40 0.843 2.002 -7.837 1.00 41.10 O ATOM 624 CB VAL A 40 -2.499 1.452 -7.603 1.00 73.43 C ATOM 625 CG1 VAL A 40 -2.218 2.706 -6.732 1.00 5.33 C ATOM 626 CG2 VAL A 40 -3.705 1.730 -8.537 1.00 23.43 C ATOM 0 H VAL A 40 -2.139 -0.897 -8.621 1.00 62.45 H new ATOM 0 HA VAL A 40 -1.169 1.683 -9.294 1.00 72.12 H new ATOM 0 HB VAL A 40 -2.737 0.626 -6.932 1.00 73.43 H new ATOM 0 HG11 VAL A 40 -3.118 2.973 -6.177 1.00 5.33 H new ATOM 0 HG12 VAL A 40 -1.411 2.489 -6.032 1.00 5.33 H new ATOM 0 HG13 VAL A 40 -1.928 3.538 -7.374 1.00 5.33 H new ATOM 0 HG21 VAL A 40 -4.564 2.038 -7.941 1.00 23.43 H new ATOM 0 HG22 VAL A 40 -3.447 2.524 -9.238 1.00 23.43 H new ATOM 0 HG23 VAL A 40 -3.953 0.824 -9.090 1.00 23.43 H new ATOM 636 N LEU A 41 0.250 0.155 -6.672 1.00 31.04 N ATOM 637 CA LEU A 41 1.445 0.118 -5.791 1.00 25.23 C ATOM 638 C LEU A 41 2.748 -0.040 -6.592 1.00 54.33 C ATOM 639 O LEU A 41 3.767 0.566 -6.254 1.00 12.43 O ATOM 640 CB LEU A 41 1.336 -1.033 -4.755 1.00 71.23 C ATOM 641 CG LEU A 41 0.225 -0.887 -3.681 1.00 20.35 C ATOM 642 CD1 LEU A 41 0.251 -2.095 -2.719 1.00 4.51 C ATOM 643 CD2 LEU A 41 0.356 0.458 -2.921 1.00 34.10 C ATOM 0 H LEU A 41 -0.407 -0.607 -6.503 1.00 31.04 H new ATOM 0 HA LEU A 41 1.477 1.075 -5.269 1.00 25.23 H new ATOM 0 HB2 LEU A 41 1.170 -1.965 -5.295 1.00 71.23 H new ATOM 0 HB3 LEU A 41 2.295 -1.127 -4.245 1.00 71.23 H new ATOM 0 HG LEU A 41 -0.744 -0.877 -4.180 1.00 20.35 H new ATOM 0 HD11 LEU A 41 -0.533 -1.981 -1.970 1.00 4.51 H new ATOM 0 HD12 LEU A 41 0.083 -3.013 -3.283 1.00 4.51 H new ATOM 0 HD13 LEU A 41 1.221 -2.145 -2.224 1.00 4.51 H new ATOM 0 HD21 LEU A 41 -0.435 0.533 -2.175 1.00 34.10 H new ATOM 0 HD22 LEU A 41 1.326 0.504 -2.427 1.00 34.10 H new ATOM 0 HD23 LEU A 41 0.269 1.284 -3.626 1.00 34.10 H new ATOM 655 N ASN A 42 2.687 -0.863 -7.654 1.00 25.44 N ATOM 656 CA ASN A 42 3.841 -1.150 -8.524 1.00 21.44 C ATOM 657 C ASN A 42 4.266 0.114 -9.298 1.00 40.03 C ATOM 658 O ASN A 42 5.466 0.391 -9.436 1.00 50.24 O ATOM 659 CB ASN A 42 3.497 -2.312 -9.491 1.00 44.12 C ATOM 660 CG ASN A 42 4.641 -2.659 -10.452 1.00 2.14 C ATOM 661 OD1 ASN A 42 5.552 -3.420 -10.112 1.00 54.51 O ATOM 662 ND2 ASN A 42 4.595 -2.126 -11.662 1.00 44.52 N ATOM 0 H ASN A 42 1.835 -1.348 -7.933 1.00 25.44 H new ATOM 0 HA ASN A 42 4.684 -1.456 -7.905 1.00 21.44 H new ATOM 0 HB2 ASN A 42 3.240 -3.197 -8.908 1.00 44.12 H new ATOM 0 HB3 ASN A 42 2.613 -2.044 -10.070 1.00 44.12 H new ATOM 0 HD21 ASN A 42 5.324 -2.341 -12.342 1.00 44.52 H new ATOM 0 HD22 ASN A 42 3.830 -1.501 -11.915 1.00 44.52 H new ATOM 669 N GLU A 43 3.272 0.890 -9.771 1.00 4.42 N ATOM 670 CA GLU A 43 3.525 2.149 -10.498 1.00 75.24 C ATOM 671 C GLU A 43 3.998 3.236 -9.514 1.00 22.32 C ATOM 672 O GLU A 43 4.977 3.953 -9.767 1.00 41.21 O ATOM 673 CB GLU A 43 2.240 2.612 -11.237 1.00 53.34 C ATOM 674 CG GLU A 43 2.455 3.757 -12.251 1.00 62.33 C ATOM 675 CD GLU A 43 3.474 3.394 -13.354 1.00 41.41 C ATOM 676 OE1 GLU A 43 3.128 2.588 -14.245 1.00 50.25 O ATOM 677 OE2 GLU A 43 4.619 3.906 -13.328 1.00 52.12 O ATOM 0 H GLU A 43 2.283 0.666 -9.662 1.00 4.42 H new ATOM 0 HA GLU A 43 4.307 1.979 -11.238 1.00 75.24 H new ATOM 0 HB2 GLU A 43 1.811 1.758 -11.760 1.00 53.34 H new ATOM 0 HB3 GLU A 43 1.507 2.934 -10.497 1.00 53.34 H new ATOM 0 HG2 GLU A 43 1.501 4.011 -12.713 1.00 62.33 H new ATOM 0 HG3 GLU A 43 2.800 4.645 -11.722 1.00 62.33 H new ATOM 684 N LEU A 44 3.312 3.269 -8.363 1.00 3.44 N ATOM 685 CA LEU A 44 3.492 4.262 -7.294 1.00 44.13 C ATOM 686 C LEU A 44 4.901 4.168 -6.690 1.00 62.43 C ATOM 687 O LEU A 44 5.486 5.178 -6.323 1.00 72.12 O ATOM 688 CB LEU A 44 2.410 4.012 -6.201 1.00 42.41 C ATOM 689 CG LEU A 44 2.347 5.010 -5.015 1.00 71.10 C ATOM 690 CD1 LEU A 44 2.173 6.450 -5.519 1.00 70.15 C ATOM 691 CD2 LEU A 44 1.226 4.612 -4.024 1.00 42.31 C ATOM 0 H LEU A 44 2.592 2.581 -8.143 1.00 3.44 H new ATOM 0 HA LEU A 44 3.380 5.265 -7.705 1.00 44.13 H new ATOM 0 HB2 LEU A 44 1.435 4.006 -6.688 1.00 42.41 H new ATOM 0 HB3 LEU A 44 2.568 3.014 -5.793 1.00 42.41 H new ATOM 0 HG LEU A 44 3.294 4.966 -4.477 1.00 71.10 H new ATOM 0 HD11 LEU A 44 2.132 7.131 -4.669 1.00 70.15 H new ATOM 0 HD12 LEU A 44 3.016 6.717 -6.157 1.00 70.15 H new ATOM 0 HD13 LEU A 44 1.248 6.526 -6.090 1.00 70.15 H new ATOM 0 HD21 LEU A 44 1.199 5.325 -3.200 1.00 42.31 H new ATOM 0 HD22 LEU A 44 0.266 4.617 -4.540 1.00 42.31 H new ATOM 0 HD23 LEU A 44 1.423 3.613 -3.634 1.00 42.31 H new ATOM 703 N LYS A 45 5.418 2.930 -6.637 1.00 22.34 N ATOM 704 CA LYS A 45 6.739 2.583 -6.069 1.00 22.11 C ATOM 705 C LYS A 45 7.885 3.426 -6.686 1.00 62.34 C ATOM 706 O LYS A 45 8.794 3.871 -5.969 1.00 43.41 O ATOM 707 CB LYS A 45 6.980 1.067 -6.293 1.00 13.22 C ATOM 708 CG LYS A 45 8.344 0.521 -5.826 1.00 22.33 C ATOM 709 CD LYS A 45 8.458 -1.010 -6.010 1.00 51.30 C ATOM 710 CE LYS A 45 8.167 -1.478 -7.453 1.00 51.14 C ATOM 711 NZ LYS A 45 8.253 -2.964 -7.579 1.00 4.25 N ATOM 0 H LYS A 45 4.918 2.117 -6.997 1.00 22.34 H new ATOM 0 HA LYS A 45 6.737 2.812 -5.003 1.00 22.11 H new ATOM 0 HB2 LYS A 45 6.195 0.515 -5.777 1.00 13.22 H new ATOM 0 HB3 LYS A 45 6.872 0.856 -7.357 1.00 13.22 H new ATOM 0 HG2 LYS A 45 9.140 1.012 -6.385 1.00 22.33 H new ATOM 0 HG3 LYS A 45 8.492 0.770 -4.775 1.00 22.33 H new ATOM 0 HD2 LYS A 45 9.462 -1.329 -5.728 1.00 51.30 H new ATOM 0 HD3 LYS A 45 7.764 -1.503 -5.329 1.00 51.30 H new ATOM 0 HE2 LYS A 45 7.173 -1.144 -7.750 1.00 51.14 H new ATOM 0 HE3 LYS A 45 8.877 -1.013 -8.137 1.00 51.14 H new ATOM 0 HZ1 LYS A 45 7.937 -3.251 -8.527 1.00 4.25 H new ATOM 0 HZ2 LYS A 45 9.237 -3.268 -7.435 1.00 4.25 H new ATOM 0 HZ3 LYS A 45 7.645 -3.409 -6.862 1.00 4.25 H new ATOM 725 N ASP A 46 7.799 3.657 -8.013 1.00 41.41 N ATOM 726 CA ASP A 46 8.744 4.520 -8.759 1.00 33.05 C ATOM 727 C ASP A 46 8.706 5.960 -8.222 1.00 71.14 C ATOM 728 O ASP A 46 9.748 6.565 -7.953 1.00 40.20 O ATOM 729 CB ASP A 46 8.400 4.506 -10.279 1.00 13.32 C ATOM 730 CG ASP A 46 9.198 5.547 -11.101 1.00 42.10 C ATOM 731 OD1 ASP A 46 10.383 5.293 -11.413 1.00 31.12 O ATOM 732 OD2 ASP A 46 8.637 6.620 -11.447 1.00 52.25 O ATOM 0 H ASP A 46 7.071 3.250 -8.600 1.00 41.41 H new ATOM 0 HA ASP A 46 9.751 4.127 -8.619 1.00 33.05 H new ATOM 0 HB2 ASP A 46 8.596 3.511 -10.679 1.00 13.32 H new ATOM 0 HB3 ASP A 46 7.334 4.695 -10.404 1.00 13.32 H new ATOM 737 N TYR A 47 7.483 6.471 -8.051 1.00 52.12 N ATOM 738 CA TYR A 47 7.229 7.856 -7.620 1.00 20.41 C ATOM 739 C TYR A 47 7.611 8.085 -6.149 1.00 2.31 C ATOM 740 O TYR A 47 8.052 9.179 -5.791 1.00 54.45 O ATOM 741 CB TYR A 47 5.746 8.209 -7.857 1.00 12.34 C ATOM 742 CG TYR A 47 5.374 8.253 -9.343 1.00 62.22 C ATOM 743 CD1 TYR A 47 5.588 9.410 -10.102 1.00 44.12 C ATOM 744 CD2 TYR A 47 4.847 7.136 -9.997 1.00 53.13 C ATOM 745 CE1 TYR A 47 5.279 9.447 -11.444 1.00 14.32 C ATOM 746 CE2 TYR A 47 4.533 7.175 -11.343 1.00 51.12 C ATOM 747 CZ TYR A 47 4.756 8.330 -12.059 1.00 12.21 C ATOM 748 OH TYR A 47 4.461 8.375 -13.401 1.00 34.25 O ATOM 0 H TYR A 47 6.631 5.933 -8.208 1.00 52.12 H new ATOM 0 HA TYR A 47 7.861 8.514 -8.217 1.00 20.41 H new ATOM 0 HB2 TYR A 47 5.118 7.475 -7.352 1.00 12.34 H new ATOM 0 HB3 TYR A 47 5.531 9.177 -7.405 1.00 12.34 H new ATOM 0 HD1 TYR A 47 6.002 10.288 -9.628 1.00 44.12 H new ATOM 0 HD2 TYR A 47 4.682 6.225 -9.441 1.00 53.13 H new ATOM 0 HE1 TYR A 47 5.446 10.350 -12.013 1.00 14.32 H new ATOM 0 HE2 TYR A 47 4.116 6.306 -11.829 1.00 51.12 H new ATOM 0 HH TYR A 47 4.101 7.509 -13.686 1.00 34.25 H new ATOM 758 N ILE A 48 7.443 7.040 -5.321 1.00 61.11 N ATOM 759 CA ILE A 48 7.812 7.059 -3.894 1.00 61.24 C ATOM 760 C ILE A 48 9.345 7.166 -3.762 1.00 53.35 C ATOM 761 O ILE A 48 9.860 7.948 -2.964 1.00 51.21 O ATOM 762 CB ILE A 48 7.306 5.764 -3.155 1.00 45.13 C ATOM 763 CG1 ILE A 48 5.753 5.630 -3.211 1.00 53.50 C ATOM 764 CG2 ILE A 48 7.796 5.731 -1.694 1.00 23.54 C ATOM 765 CD1 ILE A 48 5.213 4.323 -2.633 1.00 10.14 C ATOM 0 H ILE A 48 7.044 6.152 -5.625 1.00 61.11 H new ATOM 0 HA ILE A 48 7.336 7.922 -3.428 1.00 61.24 H new ATOM 0 HB ILE A 48 7.731 4.911 -3.683 1.00 45.13 H new ATOM 0 HG12 ILE A 48 5.308 6.464 -2.669 1.00 53.50 H new ATOM 0 HG13 ILE A 48 5.430 5.716 -4.248 1.00 53.50 H new ATOM 0 HG21 ILE A 48 7.431 4.826 -1.208 1.00 23.54 H new ATOM 0 HG22 ILE A 48 8.886 5.739 -1.675 1.00 23.54 H new ATOM 0 HG23 ILE A 48 7.418 6.605 -1.164 1.00 23.54 H new ATOM 0 HD11 ILE A 48 4.126 4.312 -2.711 1.00 10.14 H new ATOM 0 HD12 ILE A 48 5.625 3.481 -3.189 1.00 10.14 H new ATOM 0 HD13 ILE A 48 5.502 4.242 -1.585 1.00 10.14 H new ATOM 777 N LYS A 49 10.051 6.368 -4.587 1.00 1.42 N ATOM 778 CA LYS A 49 11.526 6.362 -4.664 1.00 22.53 C ATOM 779 C LYS A 49 12.040 7.730 -5.158 1.00 41.35 C ATOM 780 O LYS A 49 13.046 8.253 -4.672 1.00 22.11 O ATOM 781 CB LYS A 49 11.982 5.244 -5.640 1.00 74.01 C ATOM 782 CG LYS A 49 13.506 5.025 -5.736 1.00 14.24 C ATOM 783 CD LYS A 49 13.880 3.968 -6.798 1.00 64.24 C ATOM 784 CE LYS A 49 13.322 2.568 -6.497 1.00 13.10 C ATOM 785 NZ LYS A 49 13.573 1.634 -7.627 1.00 1.53 N ATOM 0 H LYS A 49 9.610 5.704 -5.224 1.00 1.42 H new ATOM 0 HA LYS A 49 11.937 6.173 -3.672 1.00 22.53 H new ATOM 0 HB2 LYS A 49 11.517 4.307 -5.334 1.00 74.01 H new ATOM 0 HB3 LYS A 49 11.603 5.478 -6.635 1.00 74.01 H new ATOM 0 HG2 LYS A 49 13.992 5.970 -5.980 1.00 14.24 H new ATOM 0 HG3 LYS A 49 13.888 4.712 -4.764 1.00 14.24 H new ATOM 0 HD2 LYS A 49 13.511 4.296 -7.770 1.00 64.24 H new ATOM 0 HD3 LYS A 49 14.966 3.909 -6.873 1.00 64.24 H new ATOM 0 HE2 LYS A 49 13.783 2.177 -5.590 1.00 13.10 H new ATOM 0 HE3 LYS A 49 12.251 2.634 -6.307 1.00 13.10 H new ATOM 0 HZ1 LYS A 49 13.186 0.697 -7.396 1.00 1.53 H new ATOM 0 HZ2 LYS A 49 13.112 1.997 -8.486 1.00 1.53 H new ATOM 0 HZ3 LYS A 49 14.597 1.554 -7.791 1.00 1.53 H new ATOM 799 N LYS A 50 11.289 8.298 -6.111 1.00 5.11 N ATOM 800 CA LYS A 50 11.636 9.547 -6.811 1.00 13.32 C ATOM 801 C LYS A 50 11.469 10.782 -5.893 1.00 14.14 C ATOM 802 O LYS A 50 12.098 11.823 -6.120 1.00 64.04 O ATOM 803 CB LYS A 50 10.761 9.643 -8.088 1.00 64.04 C ATOM 804 CG LYS A 50 11.169 10.732 -9.110 1.00 11.40 C ATOM 805 CD LYS A 50 10.407 10.586 -10.451 1.00 3.02 C ATOM 806 CE LYS A 50 10.724 9.262 -11.177 1.00 73.12 C ATOM 807 NZ LYS A 50 9.873 9.059 -12.383 1.00 32.41 N ATOM 0 H LYS A 50 10.406 7.896 -6.425 1.00 5.11 H new ATOM 0 HA LYS A 50 12.688 9.533 -7.095 1.00 13.32 H new ATOM 0 HB2 LYS A 50 10.779 8.676 -8.591 1.00 64.04 H new ATOM 0 HB3 LYS A 50 9.730 9.825 -7.785 1.00 64.04 H new ATOM 0 HG2 LYS A 50 10.973 11.717 -8.687 1.00 11.40 H new ATOM 0 HG3 LYS A 50 12.242 10.672 -9.294 1.00 11.40 H new ATOM 0 HD2 LYS A 50 9.335 10.644 -10.263 1.00 3.02 H new ATOM 0 HD3 LYS A 50 10.662 11.422 -11.102 1.00 3.02 H new ATOM 0 HE2 LYS A 50 11.774 9.254 -11.471 1.00 73.12 H new ATOM 0 HE3 LYS A 50 10.579 8.429 -10.489 1.00 73.12 H new ATOM 0 HZ1 LYS A 50 9.295 8.203 -12.260 1.00 32.41 H new ATOM 0 HZ2 LYS A 50 9.250 9.882 -12.511 1.00 32.41 H new ATOM 0 HZ3 LYS A 50 10.479 8.950 -13.221 1.00 32.41 H new ATOM 821 N GLN A 51 10.627 10.650 -4.851 1.00 11.53 N ATOM 822 CA GLN A 51 10.457 11.679 -3.797 1.00 32.22 C ATOM 823 C GLN A 51 10.943 11.139 -2.432 1.00 33.32 C ATOM 824 O GLN A 51 10.645 11.723 -1.375 1.00 40.31 O ATOM 825 CB GLN A 51 8.969 12.113 -3.704 1.00 61.10 C ATOM 826 CG GLN A 51 8.006 11.009 -3.215 1.00 74.22 C ATOM 827 CD GLN A 51 6.541 11.431 -3.137 1.00 42.53 C ATOM 828 OE1 GLN A 51 5.791 10.935 -2.297 1.00 44.33 O ATOM 829 NE2 GLN A 51 6.098 12.311 -4.031 1.00 4.35 N ATOM 0 H GLN A 51 10.042 9.826 -4.712 1.00 11.53 H new ATOM 0 HA GLN A 51 11.059 12.548 -4.061 1.00 32.22 H new ATOM 0 HB2 GLN A 51 8.895 12.966 -3.030 1.00 61.10 H new ATOM 0 HB3 GLN A 51 8.641 12.453 -4.686 1.00 61.10 H new ATOM 0 HG2 GLN A 51 8.088 10.152 -3.883 1.00 74.22 H new ATOM 0 HG3 GLN A 51 8.327 10.676 -2.228 1.00 74.22 H new ATOM 0 HE21 GLN A 51 6.740 12.708 -4.717 1.00 4.35 H new ATOM 0 HE22 GLN A 51 5.117 12.589 -4.030 1.00 4.35 H new ATOM 838 N GLY A 52 11.729 10.046 -2.464 1.00 4.25 N ATOM 839 CA GLY A 52 12.214 9.369 -1.251 1.00 1.32 C ATOM 840 C GLY A 52 13.447 10.025 -0.650 1.00 10.32 C ATOM 841 O GLY A 52 14.420 9.341 -0.307 1.00 11.24 O ATOM 0 H GLY A 52 12.044 9.610 -3.331 1.00 4.25 H new ATOM 0 HA2 GLY A 52 11.418 9.357 -0.507 1.00 1.32 H new ATOM 0 HA3 GLY A 52 12.443 8.330 -1.490 1.00 1.32 H new ATOM 845 N CYS A 53 13.403 11.363 -0.535 1.00 73.03 N ATOM 846 CA CYS A 53 14.449 12.167 0.113 1.00 34.54 C ATOM 847 C CYS A 53 14.539 11.820 1.610 1.00 54.34 C ATOM 848 O CYS A 53 15.624 11.809 2.200 1.00 50.24 O ATOM 849 CB CYS A 53 14.115 13.664 -0.064 1.00 14.13 C ATOM 850 SG CYS A 53 13.839 14.165 -1.782 1.00 73.34 S ATOM 0 H CYS A 53 12.629 11.922 -0.895 1.00 73.03 H new ATOM 0 HA CYS A 53 15.412 11.949 -0.349 1.00 34.54 H new ATOM 0 HB2 CYS A 53 13.224 13.897 0.518 1.00 14.13 H new ATOM 0 HB3 CYS A 53 14.930 14.258 0.349 1.00 14.13 H new ATOM 0 HG CYS A 53 13.564 15.435 -1.825 1.00 73.34 H new ATOM 856 N LYS A 54 13.372 11.549 2.202 1.00 44.34 N ATOM 857 CA LYS A 54 13.238 11.178 3.612 1.00 24.13 C ATOM 858 C LYS A 54 12.428 9.858 3.718 1.00 31.04 C ATOM 859 O LYS A 54 13.001 8.776 3.552 1.00 51.34 O ATOM 860 CB LYS A 54 12.604 12.371 4.390 1.00 34.34 C ATOM 861 CG LYS A 54 12.413 12.160 5.910 1.00 44.53 C ATOM 862 CD LYS A 54 11.802 13.393 6.629 1.00 42.52 C ATOM 863 CE LYS A 54 12.825 14.489 6.997 1.00 3.41 C ATOM 864 NZ LYS A 54 13.567 15.015 5.822 1.00 12.31 N ATOM 0 H LYS A 54 12.481 11.582 1.707 1.00 44.34 H new ATOM 0 HA LYS A 54 14.208 10.983 4.070 1.00 24.13 H new ATOM 0 HB2 LYS A 54 13.230 13.251 4.241 1.00 34.34 H new ATOM 0 HB3 LYS A 54 11.632 12.592 3.948 1.00 34.34 H new ATOM 0 HG2 LYS A 54 11.767 11.297 6.072 1.00 44.53 H new ATOM 0 HG3 LYS A 54 13.377 11.926 6.361 1.00 44.53 H new ATOM 0 HD2 LYS A 54 11.036 13.829 5.988 1.00 42.52 H new ATOM 0 HD3 LYS A 54 11.304 13.058 7.539 1.00 42.52 H new ATOM 0 HE2 LYS A 54 12.306 15.312 7.489 1.00 3.41 H new ATOM 0 HE3 LYS A 54 13.537 14.086 7.717 1.00 3.41 H new ATOM 0 HZ1 LYS A 54 14.014 15.920 6.071 1.00 12.31 H new ATOM 0 HZ2 LYS A 54 14.300 14.333 5.540 1.00 12.31 H new ATOM 0 HZ3 LYS A 54 12.907 15.161 5.031 1.00 12.31 H new ATOM 878 N ARG A 55 11.095 9.927 3.964 1.00 15.41 N ATOM 879 CA ARG A 55 10.232 8.720 4.122 1.00 53.21 C ATOM 880 C ARG A 55 8.847 8.949 3.494 1.00 11.44 C ATOM 881 O ARG A 55 8.503 10.065 3.090 1.00 65.01 O ATOM 882 CB ARG A 55 10.055 8.256 5.615 1.00 15.22 C ATOM 883 CG ARG A 55 11.306 7.625 6.302 1.00 20.31 C ATOM 884 CD ARG A 55 12.259 8.660 6.931 1.00 41.24 C ATOM 885 NE ARG A 55 13.461 8.047 7.519 1.00 5.14 N ATOM 886 CZ ARG A 55 13.625 7.766 8.816 1.00 12.34 C ATOM 887 NH1 ARG A 55 12.667 8.036 9.694 1.00 62.43 N ATOM 888 NH2 ARG A 55 14.758 7.231 9.231 1.00 75.00 N ATOM 0 H ARG A 55 10.589 10.808 4.058 1.00 15.41 H new ATOM 0 HA ARG A 55 10.756 7.921 3.598 1.00 53.21 H new ATOM 0 HB2 ARG A 55 9.740 9.117 6.205 1.00 15.22 H new ATOM 0 HB3 ARG A 55 9.243 7.530 5.652 1.00 15.22 H new ATOM 0 HG2 ARG A 55 10.974 6.934 7.076 1.00 20.31 H new ATOM 0 HG3 ARG A 55 11.856 7.039 5.566 1.00 20.31 H new ATOM 0 HD2 ARG A 55 12.560 9.380 6.170 1.00 41.24 H new ATOM 0 HD3 ARG A 55 11.726 9.216 7.702 1.00 41.24 H new ATOM 0 HE ARG A 55 14.229 7.819 6.888 1.00 5.14 H new ATOM 0 HH11 ARG A 55 11.794 8.462 9.382 1.00 62.43 H new ATOM 0 HH12 ARG A 55 12.803 7.817 10.681 1.00 62.43 H new ATOM 0 HH21 ARG A 55 15.504 7.034 8.563 1.00 75.00 H new ATOM 0 HH22 ARG A 55 14.888 7.015 10.219 1.00 75.00 H new ATOM 902 N SER A 56 8.085 7.855 3.387 1.00 52.24 N ATOM 903 CA SER A 56 6.697 7.853 2.904 1.00 72.42 C ATOM 904 C SER A 56 5.849 6.921 3.783 1.00 65.31 C ATOM 905 O SER A 56 6.383 5.974 4.378 1.00 72.53 O ATOM 906 CB SER A 56 6.666 7.379 1.448 1.00 44.04 C ATOM 907 OG SER A 56 7.189 6.063 1.342 1.00 74.23 O ATOM 0 H SER A 56 8.422 6.926 3.639 1.00 52.24 H new ATOM 0 HA SER A 56 6.287 8.861 2.959 1.00 72.42 H new ATOM 0 HB2 SER A 56 5.642 7.401 1.074 1.00 44.04 H new ATOM 0 HB3 SER A 56 7.248 8.059 0.826 1.00 44.04 H new ATOM 0 HG SER A 56 6.530 5.421 1.680 1.00 74.23 H new ATOM 913 N ARG A 57 4.529 7.162 3.836 1.00 50.32 N ATOM 914 CA ARG A 57 3.596 6.361 4.643 1.00 33.33 C ATOM 915 C ARG A 57 2.375 5.973 3.798 1.00 15.23 C ATOM 916 O ARG A 57 1.526 6.822 3.517 1.00 2.30 O ATOM 917 CB ARG A 57 3.164 7.179 5.889 1.00 25.25 C ATOM 918 CG ARG A 57 2.268 6.420 6.897 1.00 51.50 C ATOM 919 CD ARG A 57 1.923 7.265 8.137 1.00 52.12 C ATOM 920 NE ARG A 57 3.126 7.720 8.860 1.00 11.33 N ATOM 921 CZ ARG A 57 3.149 8.182 10.121 1.00 2.33 C ATOM 922 NH1 ARG A 57 2.032 8.272 10.838 1.00 20.21 N ATOM 923 NH2 ARG A 57 4.303 8.554 10.668 1.00 12.14 N ATOM 0 H ARG A 57 4.079 7.918 3.320 1.00 50.32 H new ATOM 0 HA ARG A 57 4.087 5.446 4.974 1.00 33.33 H new ATOM 0 HB2 ARG A 57 4.060 7.520 6.408 1.00 25.25 H new ATOM 0 HB3 ARG A 57 2.632 8.069 5.553 1.00 25.25 H new ATOM 0 HG2 ARG A 57 1.346 6.117 6.401 1.00 51.50 H new ATOM 0 HG3 ARG A 57 2.775 5.508 7.213 1.00 51.50 H new ATOM 0 HD2 ARG A 57 1.337 8.132 7.831 1.00 52.12 H new ATOM 0 HD3 ARG A 57 1.298 6.679 8.810 1.00 52.12 H new ATOM 0 HE ARG A 57 4.014 7.680 8.360 1.00 11.33 H new ATOM 0 HH11 ARG A 57 1.141 7.988 10.431 1.00 20.21 H new ATOM 0 HH12 ARG A 57 2.067 8.625 11.794 1.00 20.21 H new ATOM 0 HH21 ARG A 57 5.167 8.488 10.130 1.00 12.14 H new ATOM 0 HH22 ARG A 57 4.324 8.905 11.625 1.00 12.14 H new ATOM 937 N THR A 58 2.261 4.689 3.411 1.00 21.33 N ATOM 938 CA THR A 58 1.147 4.213 2.575 1.00 33.30 C ATOM 939 C THR A 58 0.067 3.549 3.450 1.00 3.45 C ATOM 940 O THR A 58 0.339 2.570 4.157 1.00 55.23 O ATOM 941 CB THR A 58 1.631 3.219 1.470 1.00 54.44 C ATOM 942 OG1 THR A 58 2.709 3.803 0.729 1.00 24.43 O ATOM 943 CG2 THR A 58 0.510 2.835 0.486 1.00 3.35 C ATOM 0 H THR A 58 2.930 3.962 3.666 1.00 21.33 H new ATOM 0 HA THR A 58 0.720 5.082 2.074 1.00 33.30 H new ATOM 0 HB THR A 58 1.956 2.313 1.982 1.00 54.44 H new ATOM 0 HG1 THR A 58 3.503 3.865 1.300 1.00 24.43 H new ATOM 0 HG21 THR A 58 0.902 2.143 -0.260 1.00 3.35 H new ATOM 0 HG22 THR A 58 -0.305 2.358 1.031 1.00 3.35 H new ATOM 0 HG23 THR A 58 0.139 3.732 -0.010 1.00 3.35 H new ATOM 951 N SER A 59 -1.135 4.135 3.431 1.00 75.44 N ATOM 952 CA SER A 59 -2.338 3.590 4.064 1.00 71.04 C ATOM 953 C SER A 59 -3.264 2.985 2.981 1.00 60.42 C ATOM 954 O SER A 59 -3.680 3.686 2.054 1.00 40.31 O ATOM 955 CB SER A 59 -3.046 4.723 4.845 1.00 25.21 C ATOM 956 OG SER A 59 -3.230 5.877 4.031 1.00 23.12 O ATOM 0 H SER A 59 -1.301 5.025 2.962 1.00 75.44 H new ATOM 0 HA SER A 59 -2.077 2.795 4.763 1.00 71.04 H new ATOM 0 HB2 SER A 59 -4.013 4.371 5.204 1.00 25.21 H new ATOM 0 HB3 SER A 59 -2.456 4.985 5.723 1.00 25.21 H new ATOM 0 HG SER A 59 -3.681 6.575 4.550 1.00 23.12 H new ATOM 962 N ILE A 60 -3.569 1.685 3.111 1.00 22.11 N ATOM 963 CA ILE A 60 -4.421 0.916 2.177 1.00 74.40 C ATOM 964 C ILE A 60 -5.562 0.270 2.972 1.00 14.32 C ATOM 965 O ILE A 60 -5.295 -0.355 4.002 1.00 35.40 O ATOM 966 CB ILE A 60 -3.597 -0.223 1.472 1.00 62.41 C ATOM 967 CG1 ILE A 60 -2.420 0.363 0.644 1.00 34.12 C ATOM 968 CG2 ILE A 60 -4.499 -1.132 0.596 1.00 52.32 C ATOM 969 CD1 ILE A 60 -1.505 -0.688 0.058 1.00 12.24 C ATOM 0 H ILE A 60 -3.223 1.120 3.887 1.00 22.11 H new ATOM 0 HA ILE A 60 -4.807 1.595 1.416 1.00 74.40 H new ATOM 0 HB ILE A 60 -3.175 -0.848 2.259 1.00 62.41 H new ATOM 0 HG12 ILE A 60 -2.824 0.971 -0.165 1.00 34.12 H new ATOM 0 HG13 ILE A 60 -1.835 1.027 1.281 1.00 34.12 H new ATOM 0 HG21 ILE A 60 -3.890 -1.905 0.127 1.00 52.32 H new ATOM 0 HG22 ILE A 60 -5.261 -1.599 1.220 1.00 52.32 H new ATOM 0 HG23 ILE A 60 -4.980 -0.532 -0.176 1.00 52.32 H new ATOM 0 HD11 ILE A 60 -0.708 -0.203 -0.506 1.00 12.24 H new ATOM 0 HD12 ILE A 60 -1.071 -1.282 0.862 1.00 12.24 H new ATOM 0 HD13 ILE A 60 -2.075 -1.338 -0.606 1.00 12.24 H new ATOM 981 N THR A 61 -6.814 0.414 2.505 1.00 72.52 N ATOM 982 CA THR A 61 -7.977 -0.201 3.161 1.00 53.41 C ATOM 983 C THR A 61 -7.845 -1.751 3.162 1.00 61.21 C ATOM 984 O THR A 61 -7.860 -2.388 2.108 1.00 14.15 O ATOM 985 CB THR A 61 -9.304 0.233 2.467 1.00 0.34 C ATOM 986 OG1 THR A 61 -9.383 1.670 2.429 1.00 65.21 O ATOM 987 CG2 THR A 61 -10.553 -0.334 3.170 1.00 14.04 C ATOM 0 H THR A 61 -7.045 0.954 1.671 1.00 72.52 H new ATOM 0 HA THR A 61 -8.006 0.146 4.194 1.00 53.41 H new ATOM 0 HB THR A 61 -9.288 -0.174 1.456 1.00 0.34 H new ATOM 0 HG1 THR A 61 -10.251 1.940 2.064 1.00 65.21 H new ATOM 0 HG21 THR A 61 -11.449 -0.001 2.646 1.00 14.04 H new ATOM 0 HG22 THR A 61 -10.512 -1.423 3.162 1.00 14.04 H new ATOM 0 HG23 THR A 61 -10.583 0.020 4.200 1.00 14.04 H new ATOM 995 N ALA A 62 -7.686 -2.311 4.373 1.00 65.32 N ATOM 996 CA ALA A 62 -7.514 -3.745 4.632 1.00 64.15 C ATOM 997 C ALA A 62 -8.586 -4.169 5.643 1.00 11.54 C ATOM 998 O ALA A 62 -8.419 -4.003 6.850 1.00 12.52 O ATOM 999 CB ALA A 62 -6.099 -4.030 5.157 1.00 12.45 C ATOM 0 H ALA A 62 -7.674 -1.755 5.228 1.00 65.32 H new ATOM 0 HA ALA A 62 -7.631 -4.319 3.713 1.00 64.15 H new ATOM 0 HB1 ALA A 62 -5.989 -5.098 5.344 1.00 12.45 H new ATOM 0 HB2 ALA A 62 -5.365 -3.714 4.416 1.00 12.45 H new ATOM 0 HB3 ALA A 62 -5.938 -3.481 6.085 1.00 12.45 H new ATOM 1005 N ARG A 63 -9.702 -4.668 5.127 1.00 2.20 N ATOM 1006 CA ARG A 63 -10.934 -4.860 5.909 1.00 30.11 C ATOM 1007 C ARG A 63 -10.811 -6.097 6.805 1.00 53.40 C ATOM 1008 O ARG A 63 -10.772 -5.991 8.037 1.00 73.02 O ATOM 1009 CB ARG A 63 -12.127 -5.003 4.934 1.00 51.41 C ATOM 1010 CG ARG A 63 -12.161 -3.917 3.839 1.00 63.31 C ATOM 1011 CD ARG A 63 -13.116 -4.274 2.700 1.00 1.22 C ATOM 1012 NE ARG A 63 -12.824 -5.611 2.139 1.00 52.03 N ATOM 1013 CZ ARG A 63 -12.913 -5.965 0.848 1.00 2.22 C ATOM 1014 NH1 ARG A 63 -13.310 -5.103 -0.079 1.00 71.33 N ATOM 1015 NH2 ARG A 63 -12.610 -7.202 0.487 1.00 41.02 N ATOM 0 H ARG A 63 -9.787 -4.954 4.152 1.00 2.20 H new ATOM 0 HA ARG A 63 -11.098 -3.998 6.555 1.00 30.11 H new ATOM 0 HB2 ARG A 63 -12.083 -5.984 4.460 1.00 51.41 H new ATOM 0 HB3 ARG A 63 -13.057 -4.964 5.502 1.00 51.41 H new ATOM 0 HG2 ARG A 63 -12.464 -2.968 4.281 1.00 63.31 H new ATOM 0 HG3 ARG A 63 -11.157 -3.776 3.438 1.00 63.31 H new ATOM 0 HD2 ARG A 63 -14.143 -4.249 3.065 1.00 1.22 H new ATOM 0 HD3 ARG A 63 -13.039 -3.524 1.912 1.00 1.22 H new ATOM 0 HE ARG A 63 -12.527 -6.332 2.796 1.00 52.03 H new ATOM 0 HH11 ARG A 63 -13.555 -4.148 0.184 1.00 71.33 H new ATOM 0 HH12 ARG A 63 -13.370 -5.395 -1.055 1.00 71.33 H new ATOM 0 HH21 ARG A 63 -12.311 -7.879 1.189 1.00 41.02 H new ATOM 0 HH22 ARG A 63 -12.675 -7.478 -0.493 1.00 41.02 H new ATOM 1029 N THR A 64 -10.733 -7.269 6.165 1.00 42.30 N ATOM 1030 CA THR A 64 -10.628 -8.562 6.858 1.00 34.34 C ATOM 1031 C THR A 64 -9.151 -8.961 7.000 1.00 70.42 C ATOM 1032 O THR A 64 -8.250 -8.200 6.598 1.00 53.01 O ATOM 1033 CB THR A 64 -11.419 -9.685 6.093 1.00 14.22 C ATOM 1034 OG1 THR A 64 -10.759 -10.037 4.862 1.00 70.55 O ATOM 1035 CG2 THR A 64 -12.869 -9.264 5.795 1.00 60.41 C ATOM 0 H THR A 64 -10.741 -7.350 5.148 1.00 42.30 H new ATOM 0 HA THR A 64 -11.071 -8.454 7.848 1.00 34.34 H new ATOM 0 HB THR A 64 -11.441 -10.555 6.750 1.00 14.22 H new ATOM 0 HG1 THR A 64 -11.270 -10.738 4.406 1.00 70.55 H new ATOM 0 HG21 THR A 64 -13.380 -10.068 5.266 1.00 60.41 H new ATOM 0 HG22 THR A 64 -13.388 -9.059 6.731 1.00 60.41 H new ATOM 0 HG23 THR A 64 -12.867 -8.366 5.177 1.00 60.41 H new ATOM 1043 N LYS A 65 -8.915 -10.165 7.555 1.00 44.31 N ATOM 1044 CA LYS A 65 -7.569 -10.748 7.672 1.00 71.44 C ATOM 1045 C LYS A 65 -6.962 -10.998 6.278 1.00 1.42 C ATOM 1046 O LYS A 65 -5.771 -10.813 6.098 1.00 3.02 O ATOM 1047 CB LYS A 65 -7.610 -12.073 8.474 1.00 65.42 C ATOM 1048 CG LYS A 65 -8.120 -11.940 9.923 1.00 73.44 C ATOM 1049 CD LYS A 65 -8.248 -13.314 10.628 1.00 13.14 C ATOM 1050 CE LYS A 65 -9.309 -14.233 9.980 1.00 53.02 C ATOM 1051 NZ LYS A 65 -9.402 -15.548 10.674 1.00 41.31 N ATOM 0 H LYS A 65 -9.653 -10.759 7.934 1.00 44.31 H new ATOM 0 HA LYS A 65 -6.941 -10.035 8.207 1.00 71.44 H new ATOM 0 HB2 LYS A 65 -8.246 -12.782 7.944 1.00 65.42 H new ATOM 0 HB3 LYS A 65 -6.607 -12.499 8.495 1.00 65.42 H new ATOM 0 HG2 LYS A 65 -7.438 -11.305 10.489 1.00 73.44 H new ATOM 0 HG3 LYS A 65 -9.090 -11.443 9.921 1.00 73.44 H new ATOM 0 HD2 LYS A 65 -7.281 -13.816 10.609 1.00 13.14 H new ATOM 0 HD3 LYS A 65 -8.505 -13.155 11.675 1.00 13.14 H new ATOM 0 HE2 LYS A 65 -10.281 -13.740 10.005 1.00 53.02 H new ATOM 0 HE3 LYS A 65 -9.059 -14.393 8.931 1.00 53.02 H new ATOM 0 HZ1 LYS A 65 -10.124 -16.135 10.210 1.00 41.31 H new ATOM 0 HZ2 LYS A 65 -8.482 -16.030 10.629 1.00 41.31 H new ATOM 0 HZ3 LYS A 65 -9.665 -15.398 11.669 1.00 41.31 H new ATOM 1065 N LYS A 66 -7.811 -11.417 5.311 1.00 50.44 N ATOM 1066 CA LYS A 66 -7.412 -11.669 3.903 1.00 5.43 C ATOM 1067 C LYS A 66 -6.698 -10.441 3.305 1.00 64.43 C ATOM 1068 O LYS A 66 -5.559 -10.540 2.836 1.00 65.32 O ATOM 1069 CB LYS A 66 -8.671 -12.016 3.057 1.00 0.53 C ATOM 1070 CG LYS A 66 -9.322 -13.380 3.376 1.00 43.35 C ATOM 1071 CD LYS A 66 -10.804 -13.497 2.911 1.00 62.10 C ATOM 1072 CE LYS A 66 -11.049 -13.157 1.419 1.00 34.11 C ATOM 1073 NZ LYS A 66 -11.187 -11.688 1.168 1.00 71.41 N ATOM 0 H LYS A 66 -8.801 -11.592 5.486 1.00 50.44 H new ATOM 0 HA LYS A 66 -6.718 -12.509 3.884 1.00 5.43 H new ATOM 0 HB2 LYS A 66 -9.415 -11.233 3.204 1.00 0.53 H new ATOM 0 HB3 LYS A 66 -8.396 -12.000 2.002 1.00 0.53 H new ATOM 0 HG2 LYS A 66 -8.739 -14.169 2.901 1.00 43.35 H new ATOM 0 HG3 LYS A 66 -9.274 -13.551 4.451 1.00 43.35 H new ATOM 0 HD2 LYS A 66 -11.149 -14.514 3.098 1.00 62.10 H new ATOM 0 HD3 LYS A 66 -11.415 -12.835 3.524 1.00 62.10 H new ATOM 0 HE2 LYS A 66 -10.223 -13.546 0.823 1.00 34.11 H new ATOM 0 HE3 LYS A 66 -11.952 -13.664 1.080 1.00 34.11 H new ATOM 0 HZ1 LYS A 66 -11.657 -11.535 0.253 1.00 71.41 H new ATOM 0 HZ2 LYS A 66 -11.756 -11.258 1.925 1.00 71.41 H new ATOM 0 HZ3 LYS A 66 -10.244 -11.249 1.151 1.00 71.41 H new ATOM 1087 N GLU A 67 -7.374 -9.284 3.387 1.00 11.10 N ATOM 1088 CA GLU A 67 -6.835 -7.998 2.918 1.00 62.24 C ATOM 1089 C GLU A 67 -5.576 -7.604 3.729 1.00 53.32 C ATOM 1090 O GLU A 67 -4.596 -7.106 3.165 1.00 34.41 O ATOM 1091 CB GLU A 67 -7.912 -6.878 3.003 1.00 62.43 C ATOM 1092 CG GLU A 67 -9.077 -6.976 1.988 1.00 53.12 C ATOM 1093 CD GLU A 67 -10.118 -8.046 2.337 1.00 13.13 C ATOM 1094 OE1 GLU A 67 -11.045 -7.744 3.116 1.00 44.32 O ATOM 1095 OE2 GLU A 67 -10.022 -9.188 1.843 1.00 51.13 O ATOM 0 H GLU A 67 -8.312 -9.214 3.781 1.00 11.10 H new ATOM 0 HA GLU A 67 -6.549 -8.115 1.873 1.00 62.24 H new ATOM 0 HB2 GLU A 67 -8.332 -6.881 4.009 1.00 62.43 H new ATOM 0 HB3 GLU A 67 -7.418 -5.916 2.867 1.00 62.43 H new ATOM 0 HG2 GLU A 67 -9.573 -6.008 1.925 1.00 53.12 H new ATOM 0 HG3 GLU A 67 -8.668 -7.190 1.000 1.00 53.12 H new ATOM 1102 N ALA A 68 -5.611 -7.875 5.048 1.00 42.23 N ATOM 1103 CA ALA A 68 -4.493 -7.576 5.975 1.00 70.23 C ATOM 1104 C ALA A 68 -3.239 -8.417 5.677 1.00 4.04 C ATOM 1105 O ALA A 68 -2.129 -8.033 6.044 1.00 35.45 O ATOM 1106 CB ALA A 68 -4.939 -7.806 7.420 1.00 5.13 C ATOM 0 H ALA A 68 -6.414 -8.308 5.505 1.00 42.23 H new ATOM 0 HA ALA A 68 -4.224 -6.530 5.828 1.00 70.23 H new ATOM 0 HB1 ALA A 68 -4.113 -7.584 8.095 1.00 5.13 H new ATOM 0 HB2 ALA A 68 -5.781 -7.152 7.649 1.00 5.13 H new ATOM 0 HB3 ALA A 68 -5.242 -8.845 7.546 1.00 5.13 H new ATOM 1112 N GLU A 69 -3.436 -9.571 5.035 1.00 61.42 N ATOM 1113 CA GLU A 69 -2.334 -10.440 4.617 1.00 10.15 C ATOM 1114 C GLU A 69 -1.706 -9.898 3.332 1.00 43.23 C ATOM 1115 O GLU A 69 -0.535 -9.525 3.308 1.00 61.13 O ATOM 1116 CB GLU A 69 -2.836 -11.896 4.377 1.00 3.15 C ATOM 1117 CG GLU A 69 -3.314 -12.646 5.630 1.00 53.44 C ATOM 1118 CD GLU A 69 -2.241 -12.755 6.720 1.00 62.51 C ATOM 1119 OE1 GLU A 69 -1.295 -13.556 6.555 1.00 41.15 O ATOM 1120 OE2 GLU A 69 -2.345 -12.058 7.749 1.00 13.30 O ATOM 0 H GLU A 69 -4.360 -9.928 4.791 1.00 61.42 H new ATOM 0 HA GLU A 69 -1.589 -10.455 5.412 1.00 10.15 H new ATOM 0 HB2 GLU A 69 -3.655 -11.865 3.659 1.00 3.15 H new ATOM 0 HB3 GLU A 69 -2.030 -12.468 3.918 1.00 3.15 H new ATOM 0 HG2 GLU A 69 -4.186 -12.136 6.039 1.00 53.44 H new ATOM 0 HG3 GLU A 69 -3.635 -13.648 5.345 1.00 53.44 H new ATOM 1127 N LYS A 70 -2.534 -9.822 2.280 1.00 11.10 N ATOM 1128 CA LYS A 70 -2.064 -9.657 0.895 1.00 64.33 C ATOM 1129 C LYS A 70 -1.687 -8.204 0.552 1.00 5.22 C ATOM 1130 O LYS A 70 -0.671 -7.978 -0.105 1.00 43.40 O ATOM 1131 CB LYS A 70 -3.129 -10.223 -0.086 1.00 14.31 C ATOM 1132 CG LYS A 70 -4.526 -9.554 -0.016 1.00 33.42 C ATOM 1133 CD LYS A 70 -5.628 -10.397 -0.689 1.00 43.12 C ATOM 1134 CE LYS A 70 -5.352 -10.677 -2.177 1.00 73.01 C ATOM 1135 NZ LYS A 70 -5.406 -9.442 -3.007 1.00 20.32 N ATOM 0 H LYS A 70 -3.549 -9.873 2.365 1.00 11.10 H new ATOM 0 HA LYS A 70 -1.140 -10.226 0.789 1.00 64.33 H new ATOM 0 HB2 LYS A 70 -2.749 -10.124 -1.103 1.00 14.31 H new ATOM 0 HB3 LYS A 70 -3.246 -11.289 0.109 1.00 14.31 H new ATOM 0 HG2 LYS A 70 -4.791 -9.385 1.028 1.00 33.42 H new ATOM 0 HG3 LYS A 70 -4.480 -8.576 -0.495 1.00 33.42 H new ATOM 0 HD2 LYS A 70 -5.726 -11.345 -0.160 1.00 43.12 H new ATOM 0 HD3 LYS A 70 -6.582 -9.879 -0.594 1.00 43.12 H new ATOM 0 HE2 LYS A 70 -4.370 -11.139 -2.281 1.00 73.01 H new ATOM 0 HE3 LYS A 70 -6.083 -11.395 -2.550 1.00 73.01 H new ATOM 0 HZ1 LYS A 70 -5.231 -9.685 -4.003 1.00 20.32 H new ATOM 0 HZ2 LYS A 70 -6.345 -9.004 -2.918 1.00 20.32 H new ATOM 0 HZ3 LYS A 70 -4.680 -8.773 -2.681 1.00 20.32 H new ATOM 1149 N PHE A 71 -2.496 -7.225 1.004 1.00 22.34 N ATOM 1150 CA PHE A 71 -2.238 -5.786 0.727 1.00 1.12 C ATOM 1151 C PHE A 71 -1.007 -5.310 1.503 1.00 42.31 C ATOM 1152 O PHE A 71 -0.166 -4.579 0.967 1.00 1.23 O ATOM 1153 CB PHE A 71 -3.467 -4.902 1.079 1.00 72.41 C ATOM 1154 CG PHE A 71 -4.741 -5.178 0.263 1.00 33.11 C ATOM 1155 CD1 PHE A 71 -4.739 -6.008 -0.867 1.00 0.12 C ATOM 1156 CD2 PHE A 71 -5.950 -4.598 0.635 1.00 50.23 C ATOM 1157 CE1 PHE A 71 -5.896 -6.237 -1.587 1.00 44.15 C ATOM 1158 CE2 PHE A 71 -7.102 -4.828 -0.090 1.00 31.12 C ATOM 1159 CZ PHE A 71 -7.075 -5.652 -1.192 1.00 54.22 C ATOM 0 H PHE A 71 -3.333 -7.397 1.561 1.00 22.34 H new ATOM 0 HA PHE A 71 -2.052 -5.684 -0.342 1.00 1.12 H new ATOM 0 HB2 PHE A 71 -3.698 -5.037 2.136 1.00 72.41 H new ATOM 0 HB3 PHE A 71 -3.190 -3.856 0.944 1.00 72.41 H new ATOM 0 HD1 PHE A 71 -3.818 -6.476 -1.180 1.00 0.12 H new ATOM 0 HD2 PHE A 71 -5.988 -3.958 1.504 1.00 50.23 H new ATOM 0 HE1 PHE A 71 -5.874 -6.875 -2.458 1.00 44.15 H new ATOM 0 HE2 PHE A 71 -8.028 -4.359 0.209 1.00 31.12 H new ATOM 0 HZ PHE A 71 -7.982 -5.839 -1.747 1.00 54.22 H new ATOM 1169 N ALA A 72 -0.920 -5.763 2.765 1.00 64.13 N ATOM 1170 CA ALA A 72 0.217 -5.475 3.647 1.00 31.33 C ATOM 1171 C ALA A 72 1.501 -6.139 3.129 1.00 54.42 C ATOM 1172 O ALA A 72 2.568 -5.550 3.208 1.00 43.23 O ATOM 1173 CB ALA A 72 -0.086 -5.937 5.074 1.00 4.02 C ATOM 0 H ALA A 72 -1.639 -6.340 3.201 1.00 64.13 H new ATOM 0 HA ALA A 72 0.375 -4.397 3.654 1.00 31.33 H new ATOM 0 HB1 ALA A 72 0.767 -5.717 5.716 1.00 4.02 H new ATOM 0 HB2 ALA A 72 -0.966 -5.413 5.447 1.00 4.02 H new ATOM 0 HB3 ALA A 72 -0.274 -7.011 5.077 1.00 4.02 H new ATOM 1179 N ALA A 73 1.375 -7.363 2.576 1.00 22.04 N ATOM 1180 CA ALA A 73 2.529 -8.106 2.029 1.00 62.03 C ATOM 1181 C ALA A 73 3.162 -7.340 0.855 1.00 54.42 C ATOM 1182 O ALA A 73 4.358 -7.053 0.880 1.00 71.45 O ATOM 1183 CB ALA A 73 2.117 -9.518 1.592 1.00 41.03 C ATOM 0 H ALA A 73 0.486 -7.857 2.497 1.00 22.04 H new ATOM 0 HA ALA A 73 3.273 -8.200 2.820 1.00 62.03 H new ATOM 0 HB1 ALA A 73 2.985 -10.043 1.193 1.00 41.03 H new ATOM 0 HB2 ALA A 73 1.725 -10.064 2.450 1.00 41.03 H new ATOM 0 HB3 ALA A 73 1.348 -9.451 0.822 1.00 41.03 H new ATOM 1189 N ILE A 74 2.317 -6.975 -0.137 1.00 34.51 N ATOM 1190 CA ILE A 74 2.747 -6.218 -1.334 1.00 33.41 C ATOM 1191 C ILE A 74 3.344 -4.849 -0.923 1.00 40.14 C ATOM 1192 O ILE A 74 4.342 -4.415 -1.487 1.00 31.42 O ATOM 1193 CB ILE A 74 1.557 -5.998 -2.357 1.00 53.11 C ATOM 1194 CG1 ILE A 74 0.923 -7.362 -2.783 1.00 41.40 C ATOM 1195 CG2 ILE A 74 2.024 -5.206 -3.608 1.00 31.45 C ATOM 1196 CD1 ILE A 74 -0.294 -7.244 -3.691 1.00 54.23 C ATOM 0 H ILE A 74 1.321 -7.196 -0.130 1.00 34.51 H new ATOM 0 HA ILE A 74 3.511 -6.814 -1.833 1.00 33.41 H new ATOM 0 HB ILE A 74 0.796 -5.408 -1.847 1.00 53.11 H new ATOM 0 HG12 ILE A 74 1.682 -7.957 -3.291 1.00 41.40 H new ATOM 0 HG13 ILE A 74 0.637 -7.910 -1.885 1.00 41.40 H new ATOM 0 HG21 ILE A 74 1.183 -5.073 -4.289 1.00 31.45 H new ATOM 0 HG22 ILE A 74 2.401 -4.230 -3.301 1.00 31.45 H new ATOM 0 HG23 ILE A 74 2.816 -5.758 -4.113 1.00 31.45 H new ATOM 0 HD11 ILE A 74 -0.665 -8.240 -3.934 1.00 54.23 H new ATOM 0 HD12 ILE A 74 -1.075 -6.680 -3.181 1.00 54.23 H new ATOM 0 HD13 ILE A 74 -0.014 -6.727 -4.609 1.00 54.23 H new ATOM 1208 N LEU A 75 2.727 -4.212 0.095 1.00 70.02 N ATOM 1209 CA LEU A 75 3.149 -2.893 0.623 1.00 72.53 C ATOM 1210 C LEU A 75 4.587 -2.979 1.217 1.00 11.22 C ATOM 1211 O LEU A 75 5.452 -2.142 0.905 1.00 41.11 O ATOM 1212 CB LEU A 75 2.110 -2.414 1.697 1.00 15.42 C ATOM 1213 CG LEU A 75 1.877 -0.877 1.859 1.00 24.40 C ATOM 1214 CD1 LEU A 75 0.807 -0.603 2.941 1.00 34.32 C ATOM 1215 CD2 LEU A 75 3.185 -0.121 2.163 1.00 4.42 C ATOM 0 H LEU A 75 1.917 -4.599 0.578 1.00 70.02 H new ATOM 0 HA LEU A 75 3.176 -2.163 -0.186 1.00 72.53 H new ATOM 0 HB2 LEU A 75 1.150 -2.874 1.462 1.00 15.42 H new ATOM 0 HB3 LEU A 75 2.424 -2.808 2.664 1.00 15.42 H new ATOM 0 HG LEU A 75 1.509 -0.498 0.905 1.00 24.40 H new ATOM 0 HD11 LEU A 75 0.657 0.472 3.041 1.00 34.32 H new ATOM 0 HD12 LEU A 75 -0.132 -1.075 2.652 1.00 34.32 H new ATOM 0 HD13 LEU A 75 1.140 -1.013 3.894 1.00 34.32 H new ATOM 0 HD21 LEU A 75 2.974 0.943 2.267 1.00 4.42 H new ATOM 0 HD22 LEU A 75 3.616 -0.498 3.090 1.00 4.42 H new ATOM 0 HD23 LEU A 75 3.891 -0.273 1.347 1.00 4.42 H new ATOM 1227 N ILE A 76 4.823 -4.006 2.057 1.00 62.41 N ATOM 1228 CA ILE A 76 6.137 -4.263 2.687 1.00 33.12 C ATOM 1229 C ILE A 76 7.199 -4.561 1.606 1.00 20.44 C ATOM 1230 O ILE A 76 8.336 -4.107 1.714 1.00 62.44 O ATOM 1231 CB ILE A 76 6.033 -5.440 3.767 1.00 72.51 C ATOM 1232 CG1 ILE A 76 5.653 -4.887 5.188 1.00 70.32 C ATOM 1233 CG2 ILE A 76 7.321 -6.304 3.859 1.00 53.11 C ATOM 1234 CD1 ILE A 76 4.337 -4.132 5.276 1.00 13.11 C ATOM 0 H ILE A 76 4.107 -4.683 2.320 1.00 62.41 H new ATOM 0 HA ILE A 76 6.452 -3.367 3.222 1.00 33.12 H new ATOM 0 HB ILE A 76 5.234 -6.091 3.413 1.00 72.51 H new ATOM 0 HG12 ILE A 76 5.616 -5.724 5.885 1.00 70.32 H new ATOM 0 HG13 ILE A 76 6.452 -4.227 5.525 1.00 70.32 H new ATOM 0 HG21 ILE A 76 7.184 -7.083 4.609 1.00 53.11 H new ATOM 0 HG22 ILE A 76 7.521 -6.763 2.891 1.00 53.11 H new ATOM 0 HG23 ILE A 76 8.163 -5.673 4.142 1.00 53.11 H new ATOM 0 HD11 ILE A 76 4.178 -3.797 6.301 1.00 13.11 H new ATOM 0 HD12 ILE A 76 4.368 -3.268 4.613 1.00 13.11 H new ATOM 0 HD13 ILE A 76 3.520 -4.789 4.978 1.00 13.11 H new ATOM 1246 N LYS A 77 6.788 -5.289 0.548 1.00 74.23 N ATOM 1247 CA LYS A 77 7.676 -5.640 -0.576 1.00 41.53 C ATOM 1248 C LYS A 77 8.078 -4.386 -1.375 1.00 2.33 C ATOM 1249 O LYS A 77 9.244 -4.244 -1.737 1.00 41.42 O ATOM 1250 CB LYS A 77 6.998 -6.683 -1.495 1.00 42.21 C ATOM 1251 CG LYS A 77 6.780 -8.064 -0.834 1.00 52.23 C ATOM 1252 CD LYS A 77 6.015 -9.037 -1.758 1.00 53.13 C ATOM 1253 CE LYS A 77 6.747 -9.274 -3.088 1.00 23.40 C ATOM 1254 NZ LYS A 77 6.019 -10.219 -3.969 1.00 10.15 N ATOM 0 H LYS A 77 5.838 -5.647 0.450 1.00 74.23 H new ATOM 0 HA LYS A 77 8.585 -6.081 -0.167 1.00 41.53 H new ATOM 0 HB2 LYS A 77 6.034 -6.292 -1.820 1.00 42.21 H new ATOM 0 HB3 LYS A 77 7.607 -6.813 -2.390 1.00 42.21 H new ATOM 0 HG2 LYS A 77 7.746 -8.497 -0.573 1.00 52.23 H new ATOM 0 HG3 LYS A 77 6.226 -7.937 0.096 1.00 52.23 H new ATOM 0 HD2 LYS A 77 5.879 -9.990 -1.246 1.00 53.13 H new ATOM 0 HD3 LYS A 77 5.021 -8.638 -1.959 1.00 53.13 H new ATOM 0 HE2 LYS A 77 6.874 -8.323 -3.605 1.00 23.40 H new ATOM 0 HE3 LYS A 77 7.745 -9.663 -2.887 1.00 23.40 H new ATOM 0 HZ1 LYS A 77 6.550 -10.348 -4.854 1.00 10.15 H new ATOM 0 HZ2 LYS A 77 5.920 -11.136 -3.488 1.00 10.15 H new ATOM 0 HZ3 LYS A 77 5.076 -9.837 -4.184 1.00 10.15 H new ATOM 1268 N VAL A 78 7.099 -3.476 -1.603 1.00 53.11 N ATOM 1269 CA VAL A 78 7.327 -2.169 -2.260 1.00 0.24 C ATOM 1270 C VAL A 78 8.461 -1.419 -1.540 1.00 20.10 C ATOM 1271 O VAL A 78 9.469 -1.070 -2.153 1.00 63.43 O ATOM 1272 CB VAL A 78 5.993 -1.301 -2.288 1.00 73.04 C ATOM 1273 CG1 VAL A 78 6.259 0.192 -2.610 1.00 12.10 C ATOM 1274 CG2 VAL A 78 4.976 -1.892 -3.295 1.00 10.13 C ATOM 0 H VAL A 78 6.127 -3.630 -1.335 1.00 53.11 H new ATOM 0 HA VAL A 78 7.622 -2.343 -3.295 1.00 0.24 H new ATOM 0 HB VAL A 78 5.571 -1.344 -1.284 1.00 73.04 H new ATOM 0 HG11 VAL A 78 5.315 0.737 -2.616 1.00 12.10 H new ATOM 0 HG12 VAL A 78 6.918 0.616 -1.852 1.00 12.10 H new ATOM 0 HG13 VAL A 78 6.732 0.275 -3.589 1.00 12.10 H new ATOM 0 HG21 VAL A 78 4.072 -1.284 -3.298 1.00 10.13 H new ATOM 0 HG22 VAL A 78 5.413 -1.897 -4.293 1.00 10.13 H new ATOM 0 HG23 VAL A 78 4.726 -2.912 -3.003 1.00 10.13 H new ATOM 1284 N TYR A 79 8.301 -1.283 -0.214 1.00 24.55 N ATOM 1285 CA TYR A 79 9.268 -0.591 0.659 1.00 30.54 C ATOM 1286 C TYR A 79 10.606 -1.357 0.776 1.00 65.30 C ATOM 1287 O TYR A 79 11.656 -0.737 0.956 1.00 40.12 O ATOM 1288 CB TYR A 79 8.646 -0.363 2.060 1.00 44.44 C ATOM 1289 CG TYR A 79 7.654 0.807 2.165 1.00 3.11 C ATOM 1290 CD1 TYR A 79 6.718 1.083 1.159 1.00 50.52 C ATOM 1291 CD2 TYR A 79 7.651 1.638 3.292 1.00 3.52 C ATOM 1292 CE1 TYR A 79 5.836 2.142 1.276 1.00 43.53 C ATOM 1293 CE2 TYR A 79 6.767 2.690 3.406 1.00 54.04 C ATOM 1294 CZ TYR A 79 5.862 2.932 2.401 1.00 14.13 C ATOM 1295 OH TYR A 79 4.984 3.979 2.520 1.00 61.25 O ATOM 0 H TYR A 79 7.493 -1.652 0.287 1.00 24.55 H new ATOM 0 HA TYR A 79 9.494 0.372 0.202 1.00 30.54 H new ATOM 0 HB2 TYR A 79 8.136 -1.277 2.364 1.00 44.44 H new ATOM 0 HB3 TYR A 79 9.453 -0.196 2.773 1.00 44.44 H new ATOM 0 HD1 TYR A 79 6.685 0.459 0.278 1.00 50.52 H new ATOM 0 HD2 TYR A 79 8.356 1.451 4.089 1.00 3.52 H new ATOM 0 HE1 TYR A 79 5.129 2.348 0.486 1.00 43.53 H new ATOM 0 HE2 TYR A 79 6.786 3.321 4.282 1.00 54.04 H new ATOM 0 HH TYR A 79 5.133 4.436 3.374 1.00 61.25 H new ATOM 1305 N ALA A 80 10.554 -2.693 0.671 1.00 35.14 N ATOM 1306 CA ALA A 80 11.755 -3.557 0.746 1.00 1.42 C ATOM 1307 C ALA A 80 12.644 -3.378 -0.496 1.00 40.12 C ATOM 1308 O ALA A 80 13.864 -3.583 -0.444 1.00 41.53 O ATOM 1309 CB ALA A 80 11.346 -5.027 0.908 1.00 21.42 C ATOM 0 H ALA A 80 9.685 -3.209 0.532 1.00 35.14 H new ATOM 0 HA ALA A 80 12.334 -3.257 1.619 1.00 1.42 H new ATOM 0 HB1 ALA A 80 12.239 -5.649 0.962 1.00 21.42 H new ATOM 0 HB2 ALA A 80 10.766 -5.145 1.824 1.00 21.42 H new ATOM 0 HB3 ALA A 80 10.742 -5.333 0.054 1.00 21.42 H new ATOM 1315 N GLU A 81 12.004 -3.023 -1.616 1.00 41.15 N ATOM 1316 CA GLU A 81 12.692 -2.685 -2.875 1.00 30.40 C ATOM 1317 C GLU A 81 13.250 -1.249 -2.818 1.00 35.42 C ATOM 1318 O GLU A 81 14.296 -0.958 -3.404 1.00 44.45 O ATOM 1319 CB GLU A 81 11.708 -2.861 -4.063 1.00 13.14 C ATOM 1320 CG GLU A 81 11.171 -4.301 -4.231 1.00 14.33 C ATOM 1321 CD GLU A 81 10.047 -4.400 -5.275 1.00 22.41 C ATOM 1322 OE1 GLU A 81 8.863 -4.204 -4.922 1.00 40.52 O ATOM 1323 OE2 GLU A 81 10.341 -4.650 -6.466 1.00 74.43 O ATOM 0 H GLU A 81 10.988 -2.961 -1.678 1.00 41.15 H new ATOM 0 HA GLU A 81 13.537 -3.358 -3.019 1.00 30.40 H new ATOM 0 HB2 GLU A 81 10.865 -2.184 -3.925 1.00 13.14 H new ATOM 0 HB3 GLU A 81 12.210 -2.562 -4.983 1.00 13.14 H new ATOM 0 HG2 GLU A 81 11.991 -4.958 -4.523 1.00 14.33 H new ATOM 0 HG3 GLU A 81 10.801 -4.660 -3.271 1.00 14.33 H new ATOM 1330 N LEU A 82 12.547 -0.362 -2.093 1.00 12.05 N ATOM 1331 CA LEU A 82 12.958 1.049 -1.914 1.00 0.15 C ATOM 1332 C LEU A 82 14.128 1.161 -0.916 1.00 40.21 C ATOM 1333 O LEU A 82 14.948 2.083 -0.997 1.00 5.12 O ATOM 1334 CB LEU A 82 11.754 1.884 -1.401 1.00 34.23 C ATOM 1335 CG LEU A 82 10.481 1.852 -2.298 1.00 2.22 C ATOM 1336 CD1 LEU A 82 9.289 2.548 -1.615 1.00 11.15 C ATOM 1337 CD2 LEU A 82 10.771 2.449 -3.680 1.00 40.34 C ATOM 0 H LEU A 82 11.678 -0.599 -1.614 1.00 12.05 H new ATOM 0 HA LEU A 82 13.289 1.434 -2.878 1.00 0.15 H new ATOM 0 HB2 LEU A 82 11.485 1.527 -0.407 1.00 34.23 H new ATOM 0 HB3 LEU A 82 12.074 2.920 -1.292 1.00 34.23 H new ATOM 0 HG LEU A 82 10.200 0.809 -2.441 1.00 2.22 H new ATOM 0 HD11 LEU A 82 8.419 2.506 -2.270 1.00 11.15 H new ATOM 0 HD12 LEU A 82 9.061 2.042 -0.677 1.00 11.15 H new ATOM 0 HD13 LEU A 82 9.542 3.589 -1.414 1.00 11.15 H new ATOM 0 HD21 LEU A 82 9.867 2.415 -4.288 1.00 40.34 H new ATOM 0 HD22 LEU A 82 11.095 3.484 -3.569 1.00 40.34 H new ATOM 0 HD23 LEU A 82 11.558 1.873 -4.167 1.00 40.34 H new ATOM 1349 N GLY A 83 14.184 0.192 0.001 1.00 71.41 N ATOM 1350 CA GLY A 83 15.178 0.147 1.064 1.00 11.30 C ATOM 1351 C GLY A 83 15.296 -1.270 1.584 1.00 61.44 C ATOM 1352 O GLY A 83 14.336 -1.789 2.161 1.00 33.24 O ATOM 0 H GLY A 83 13.530 -0.591 0.022 1.00 71.41 H new ATOM 0 HA2 GLY A 83 16.142 0.490 0.689 1.00 11.30 H new ATOM 0 HA3 GLY A 83 14.892 0.820 1.872 1.00 11.30 H new ATOM 1403 N ILE A 87 10.642 -4.092 7.120 1.00 13.31 N ATOM 1404 CA ILE A 87 9.659 -2.990 6.999 1.00 34.04 C ATOM 1405 C ILE A 87 8.572 -3.124 8.094 1.00 4.20 C ATOM 1406 O ILE A 87 8.199 -4.240 8.471 1.00 3.10 O ATOM 1407 CB ILE A 87 9.014 -2.984 5.556 1.00 72.53 C ATOM 1408 CG1 ILE A 87 10.118 -3.022 4.439 1.00 25.03 C ATOM 1409 CG2 ILE A 87 8.073 -1.770 5.351 1.00 50.43 C ATOM 1410 CD1 ILE A 87 11.125 -1.871 4.474 1.00 1.43 C ATOM 0 HA ILE A 87 10.173 -2.039 7.142 1.00 34.04 H new ATOM 0 HB ILE A 87 8.411 -3.888 5.473 1.00 72.53 H new ATOM 0 HG12 ILE A 87 10.663 -3.962 4.522 1.00 25.03 H new ATOM 0 HG13 ILE A 87 9.627 -3.023 3.466 1.00 25.03 H new ATOM 0 HG21 ILE A 87 7.650 -1.803 4.347 1.00 50.43 H new ATOM 0 HG22 ILE A 87 7.268 -1.806 6.085 1.00 50.43 H new ATOM 0 HG23 ILE A 87 8.638 -0.846 5.477 1.00 50.43 H new ATOM 0 HD11 ILE A 87 11.843 -1.991 3.663 1.00 1.43 H new ATOM 0 HD12 ILE A 87 10.599 -0.924 4.356 1.00 1.43 H new ATOM 0 HD13 ILE A 87 11.651 -1.877 5.428 1.00 1.43 H new ATOM 1422 N ASN A 88 8.050 -1.979 8.570 1.00 14.53 N ATOM 1423 CA ASN A 88 7.136 -1.919 9.728 1.00 71.42 C ATOM 1424 C ASN A 88 5.686 -2.134 9.280 1.00 65.04 C ATOM 1425 O ASN A 88 5.274 -1.616 8.247 1.00 2.03 O ATOM 1426 CB ASN A 88 7.268 -0.535 10.413 1.00 43.31 C ATOM 1427 CG ASN A 88 6.370 -0.355 11.645 1.00 24.32 C ATOM 1428 OD1 ASN A 88 6.097 -1.304 12.382 1.00 54.34 O ATOM 1429 ND2 ASN A 88 5.903 0.865 11.876 1.00 3.14 N ATOM 0 H ASN A 88 8.250 -1.066 8.162 1.00 14.53 H new ATOM 0 HA ASN A 88 7.404 -2.708 10.431 1.00 71.42 H new ATOM 0 HB2 ASN A 88 8.306 -0.386 10.709 1.00 43.31 H new ATOM 0 HB3 ASN A 88 7.029 0.242 9.687 1.00 43.31 H new ATOM 0 HD21 ASN A 88 5.301 1.037 12.681 1.00 3.14 H new ATOM 0 HD22 ASN A 88 6.146 1.631 11.248 1.00 3.14 H new ATOM 1436 N VAL A 89 4.924 -2.908 10.072 1.00 5.31 N ATOM 1437 CA VAL A 89 3.502 -3.193 9.797 1.00 4.25 C ATOM 1438 C VAL A 89 2.637 -2.588 10.922 1.00 30.42 C ATOM 1439 O VAL A 89 2.887 -2.844 12.102 1.00 54.34 O ATOM 1440 CB VAL A 89 3.219 -4.747 9.698 1.00 52.21 C ATOM 1441 CG1 VAL A 89 1.779 -5.030 9.191 1.00 24.54 C ATOM 1442 CG2 VAL A 89 4.281 -5.461 8.826 1.00 33.45 C ATOM 0 H VAL A 89 5.274 -3.354 10.920 1.00 5.31 H new ATOM 0 HA VAL A 89 3.250 -2.746 8.835 1.00 4.25 H new ATOM 0 HB VAL A 89 3.295 -5.159 10.704 1.00 52.21 H new ATOM 0 HG11 VAL A 89 1.618 -6.107 9.135 1.00 24.54 H new ATOM 0 HG12 VAL A 89 1.058 -4.591 9.880 1.00 24.54 H new ATOM 0 HG13 VAL A 89 1.649 -4.592 8.202 1.00 24.54 H new ATOM 0 HG21 VAL A 89 4.057 -6.527 8.779 1.00 33.45 H new ATOM 0 HG22 VAL A 89 4.267 -5.043 7.820 1.00 33.45 H new ATOM 0 HG23 VAL A 89 5.268 -5.317 9.265 1.00 33.45 H new ATOM 1452 N THR A 90 1.652 -1.762 10.554 1.00 72.32 N ATOM 1453 CA THR A 90 0.614 -1.263 11.478 1.00 61.42 C ATOM 1454 C THR A 90 -0.753 -1.492 10.823 1.00 42.04 C ATOM 1455 O THR A 90 -0.908 -1.241 9.630 1.00 30.20 O ATOM 1456 CB THR A 90 0.820 0.261 11.794 1.00 1.41 C ATOM 1457 OG1 THR A 90 2.116 0.460 12.389 1.00 71.22 O ATOM 1458 CG2 THR A 90 -0.270 0.827 12.728 1.00 42.53 C ATOM 0 H THR A 90 1.547 -1.415 9.601 1.00 72.32 H new ATOM 0 HA THR A 90 0.678 -1.800 12.424 1.00 61.42 H new ATOM 0 HB THR A 90 0.748 0.799 10.849 1.00 1.41 H new ATOM 0 HG1 THR A 90 2.244 1.412 12.584 1.00 71.22 H new ATOM 0 HG21 THR A 90 -0.078 1.884 12.913 1.00 42.53 H new ATOM 0 HG22 THR A 90 -1.247 0.712 12.258 1.00 42.53 H new ATOM 0 HG23 THR A 90 -0.256 0.285 13.674 1.00 42.53 H new ATOM 1466 N TRP A 91 -1.729 -1.999 11.587 1.00 14.11 N ATOM 1467 CA TRP A 91 -3.080 -2.265 11.078 1.00 50.34 C ATOM 1468 C TRP A 91 -4.123 -1.794 12.107 1.00 41.13 C ATOM 1469 O TRP A 91 -4.132 -2.260 13.252 1.00 72.11 O ATOM 1470 CB TRP A 91 -3.241 -3.774 10.750 1.00 43.41 C ATOM 1471 CG TRP A 91 -4.552 -4.124 10.082 1.00 63.31 C ATOM 1472 CD1 TRP A 91 -5.164 -3.423 9.090 1.00 22.13 C ATOM 1473 CD2 TRP A 91 -5.386 -5.268 10.325 1.00 4.33 C ATOM 1474 NE1 TRP A 91 -6.329 -4.024 8.733 1.00 54.25 N ATOM 1475 CE2 TRP A 91 -6.488 -5.167 9.460 1.00 74.23 C ATOM 1476 CE3 TRP A 91 -5.313 -6.359 11.194 1.00 4.12 C ATOM 1477 CZ2 TRP A 91 -7.507 -6.112 9.428 1.00 0.12 C ATOM 1478 CZ3 TRP A 91 -6.324 -7.302 11.160 1.00 73.52 C ATOM 1479 CH2 TRP A 91 -7.409 -7.171 10.283 1.00 5.42 C ATOM 0 H TRP A 91 -1.605 -2.235 12.571 1.00 14.11 H new ATOM 0 HA TRP A 91 -3.240 -1.708 10.155 1.00 50.34 H new ATOM 0 HB2 TRP A 91 -2.421 -4.083 10.102 1.00 43.41 H new ATOM 0 HB3 TRP A 91 -3.151 -4.347 11.673 1.00 43.41 H new ATOM 0 HD1 TRP A 91 -4.778 -2.516 8.648 1.00 22.13 H new ATOM 0 HE1 TRP A 91 -6.982 -3.675 8.031 1.00 54.25 H new ATOM 0 HE3 TRP A 91 -4.484 -6.464 11.878 1.00 4.12 H new ATOM 0 HZ2 TRP A 91 -8.344 -6.012 8.753 1.00 0.12 H new ATOM 0 HZ3 TRP A 91 -6.276 -8.155 11.821 1.00 73.52 H new ATOM 0 HH2 TRP A 91 -8.184 -7.924 10.284 1.00 5.42 H new ATOM 1490 N ASP A 92 -4.981 -0.850 11.683 1.00 2.05 N ATOM 1491 CA ASP A 92 -6.072 -0.294 12.512 1.00 44.53 C ATOM 1492 C ASP A 92 -7.189 -1.330 12.722 1.00 45.41 C ATOM 1493 O ASP A 92 -7.808 -1.384 13.794 1.00 45.41 O ATOM 1494 CB ASP A 92 -6.676 0.972 11.841 1.00 12.23 C ATOM 1495 CG ASP A 92 -5.644 2.099 11.649 1.00 34.43 C ATOM 1496 OD1 ASP A 92 -5.439 2.895 12.589 1.00 32.05 O ATOM 1497 OD2 ASP A 92 -5.037 2.195 10.561 1.00 53.53 O ATOM 0 H ASP A 92 -4.939 -0.446 10.747 1.00 2.05 H new ATOM 0 HA ASP A 92 -5.646 -0.028 13.479 1.00 44.53 H new ATOM 0 HB2 ASP A 92 -7.093 0.699 10.872 1.00 12.23 H new ATOM 0 HB3 ASP A 92 -7.501 1.341 12.450 1.00 12.23 H new ATOM 1502 N GLY A 93 -7.431 -2.148 11.683 1.00 65.05 N ATOM 1503 CA GLY A 93 -8.548 -3.101 11.658 1.00 73.14 C ATOM 1504 C GLY A 93 -9.412 -2.927 10.414 1.00 11.35 C ATOM 1505 O GLY A 93 -10.161 -3.834 10.043 1.00 63.34 O ATOM 0 H GLY A 93 -6.857 -2.165 10.840 1.00 65.05 H new ATOM 0 HA2 GLY A 93 -8.159 -4.119 11.691 1.00 73.14 H new ATOM 0 HA3 GLY A 93 -9.162 -2.966 12.549 1.00 73.14 H new ATOM 1509 N ASP A 94 -9.327 -1.743 9.792 1.00 43.52 N ATOM 1510 CA ASP A 94 -10.035 -1.416 8.525 1.00 22.12 C ATOM 1511 C ASP A 94 -9.025 -0.953 7.456 1.00 74.21 C ATOM 1512 O ASP A 94 -9.321 -1.013 6.266 1.00 63.14 O ATOM 1513 CB ASP A 94 -11.104 -0.305 8.765 1.00 14.01 C ATOM 1514 CG ASP A 94 -10.481 1.062 9.114 1.00 11.35 C ATOM 1515 OD1 ASP A 94 -9.787 1.153 10.154 1.00 65.43 O ATOM 1516 OD2 ASP A 94 -10.640 2.030 8.339 1.00 41.54 O ATOM 0 H ASP A 94 -8.763 -0.972 10.149 1.00 43.52 H new ATOM 0 HA ASP A 94 -10.540 -2.315 8.171 1.00 22.12 H new ATOM 0 HB2 ASP A 94 -11.719 -0.201 7.871 1.00 14.01 H new ATOM 0 HB3 ASP A 94 -11.766 -0.614 9.574 1.00 14.01 H new ATOM 1521 N THR A 95 -7.835 -0.480 7.896 1.00 55.10 N ATOM 1522 CA THR A 95 -6.790 0.060 7.010 1.00 13.41 C ATOM 1523 C THR A 95 -5.389 -0.301 7.559 1.00 33.50 C ATOM 1524 O THR A 95 -5.147 -0.161 8.761 1.00 74.21 O ATOM 1525 CB THR A 95 -6.952 1.617 6.883 1.00 23.34 C ATOM 1526 OG1 THR A 95 -8.254 1.925 6.353 1.00 74.13 O ATOM 1527 CG2 THR A 95 -5.882 2.261 5.992 1.00 31.14 C ATOM 0 H THR A 95 -7.577 -0.465 8.883 1.00 55.10 H new ATOM 0 HA THR A 95 -6.895 -0.383 6.020 1.00 13.41 H new ATOM 0 HB THR A 95 -6.832 2.030 7.885 1.00 23.34 H new ATOM 0 HG1 THR A 95 -8.912 1.924 7.080 1.00 74.13 H new ATOM 0 HG21 THR A 95 -6.048 3.337 5.944 1.00 31.14 H new ATOM 0 HG22 THR A 95 -4.894 2.064 6.409 1.00 31.14 H new ATOM 0 HG23 THR A 95 -5.942 1.840 4.989 1.00 31.14 H new ATOM 1535 N VAL A 96 -4.500 -0.815 6.682 1.00 50.32 N ATOM 1536 CA VAL A 96 -3.082 -1.078 7.011 1.00 23.35 C ATOM 1537 C VAL A 96 -2.214 0.146 6.627 1.00 42.24 C ATOM 1538 O VAL A 96 -2.261 0.625 5.495 1.00 52.13 O ATOM 1539 CB VAL A 96 -2.547 -2.400 6.307 1.00 71.44 C ATOM 1540 CG1 VAL A 96 -2.674 -2.357 4.761 1.00 73.51 C ATOM 1541 CG2 VAL A 96 -1.090 -2.705 6.740 1.00 13.43 C ATOM 0 H VAL A 96 -4.746 -1.060 5.723 1.00 50.32 H new ATOM 0 HA VAL A 96 -3.009 -1.239 8.087 1.00 23.35 H new ATOM 0 HB VAL A 96 -3.188 -3.214 6.644 1.00 71.44 H new ATOM 0 HG11 VAL A 96 -2.293 -3.287 4.339 1.00 73.51 H new ATOM 0 HG12 VAL A 96 -3.722 -2.236 4.485 1.00 73.51 H new ATOM 0 HG13 VAL A 96 -2.097 -1.518 4.372 1.00 73.51 H new ATOM 0 HG21 VAL A 96 -0.746 -3.614 6.246 1.00 13.43 H new ATOM 0 HG22 VAL A 96 -0.445 -1.873 6.459 1.00 13.43 H new ATOM 0 HG23 VAL A 96 -1.053 -2.844 7.821 1.00 13.43 H new ATOM 1551 N THR A 97 -1.451 0.656 7.598 1.00 11.11 N ATOM 1552 CA THR A 97 -0.583 1.826 7.437 1.00 22.22 C ATOM 1553 C THR A 97 0.875 1.410 7.679 1.00 50.11 C ATOM 1554 O THR A 97 1.170 0.725 8.661 1.00 12.43 O ATOM 1555 CB THR A 97 -0.998 2.926 8.460 1.00 41.12 C ATOM 1556 OG1 THR A 97 -2.431 3.017 8.505 1.00 42.31 O ATOM 1557 CG2 THR A 97 -0.419 4.299 8.106 1.00 52.30 C ATOM 0 H THR A 97 -1.419 0.259 8.537 1.00 11.11 H new ATOM 0 HA THR A 97 -0.683 2.223 6.427 1.00 22.22 H new ATOM 0 HB THR A 97 -0.597 2.638 9.432 1.00 41.12 H new ATOM 0 HG1 THR A 97 -2.695 3.707 9.149 1.00 42.31 H new ATOM 0 HG21 THR A 97 -0.737 5.031 8.849 1.00 52.30 H new ATOM 0 HG22 THR A 97 0.670 4.243 8.095 1.00 52.30 H new ATOM 0 HG23 THR A 97 -0.777 4.602 7.122 1.00 52.30 H new ATOM 1565 N VAL A 98 1.778 1.810 6.777 1.00 44.15 N ATOM 1566 CA VAL A 98 3.196 1.405 6.816 1.00 51.23 C ATOM 1567 C VAL A 98 4.120 2.619 6.596 1.00 50.55 C ATOM 1568 O VAL A 98 4.010 3.306 5.577 1.00 0.41 O ATOM 1569 CB VAL A 98 3.486 0.295 5.733 1.00 15.31 C ATOM 1570 CG1 VAL A 98 4.999 0.030 5.545 1.00 41.03 C ATOM 1571 CG2 VAL A 98 2.730 -1.018 6.064 1.00 31.32 C ATOM 0 H VAL A 98 1.550 2.425 5.996 1.00 44.15 H new ATOM 0 HA VAL A 98 3.401 0.991 7.803 1.00 51.23 H new ATOM 0 HB VAL A 98 3.112 0.678 4.784 1.00 15.31 H new ATOM 0 HG11 VAL A 98 5.142 -0.742 4.789 1.00 41.03 H new ATOM 0 HG12 VAL A 98 5.492 0.948 5.224 1.00 41.03 H new ATOM 0 HG13 VAL A 98 5.430 -0.303 6.489 1.00 41.03 H new ATOM 0 HG21 VAL A 98 2.948 -1.766 5.301 1.00 31.32 H new ATOM 0 HG22 VAL A 98 3.052 -1.388 7.037 1.00 31.32 H new ATOM 0 HG23 VAL A 98 1.658 -0.825 6.086 1.00 31.32 H new ATOM 1581 N GLU A 99 5.006 2.869 7.574 1.00 44.34 N ATOM 1582 CA GLU A 99 6.132 3.815 7.454 1.00 65.20 C ATOM 1583 C GLU A 99 7.298 3.303 8.311 1.00 0.12 C ATOM 1584 O GLU A 99 7.077 2.689 9.368 1.00 51.41 O ATOM 1585 CB GLU A 99 5.744 5.250 7.916 1.00 23.13 C ATOM 1586 CG GLU A 99 6.837 6.325 7.655 1.00 20.34 C ATOM 1587 CD GLU A 99 6.514 7.696 8.272 1.00 33.23 C ATOM 1588 OE1 GLU A 99 5.834 8.523 7.622 1.00 50.14 O ATOM 1589 OE2 GLU A 99 6.929 7.949 9.426 1.00 1.12 O ATOM 0 H GLU A 99 4.961 2.413 8.485 1.00 44.34 H new ATOM 0 HA GLU A 99 6.416 3.874 6.403 1.00 65.20 H new ATOM 0 HB2 GLU A 99 4.829 5.548 7.405 1.00 23.13 H new ATOM 0 HB3 GLU A 99 5.521 5.228 8.983 1.00 23.13 H new ATOM 0 HG2 GLU A 99 7.786 5.970 8.056 1.00 20.34 H new ATOM 0 HG3 GLU A 99 6.969 6.442 6.579 1.00 20.34 H new ATOM 1596 N GLY A 100 8.531 3.578 7.855 1.00 43.20 N ATOM 1597 CA GLY A 100 9.738 3.213 8.594 1.00 20.34 C ATOM 1598 C GLY A 100 10.075 1.730 8.488 1.00 21.41 C ATOM 1599 O GLY A 100 9.555 1.015 7.616 1.00 24.22 O ATOM 0 H GLY A 100 8.712 4.055 6.972 1.00 43.20 H new ATOM 0 HA2 GLY A 100 10.578 3.799 8.220 1.00 20.34 H new ATOM 0 HA3 GLY A 100 9.608 3.477 9.644 1.00 20.34 H new