USER MOD reduce.3.24.130724 H: found=0, std=0, add=1102, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1104 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 460 GLN : amide:sc= -1.84! C(o=-2.4!,f=-6.9!) USER MOD Set 1.2: A 464 MET CE :methyl 138:sc= -0.565 (180deg=-0.1) USER MOD Set 2.1: A 455 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 459 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Set 3.1: A 439 GLN : amide:sc= -0.0949 K(o=-0.19,f=-1.1) USER MOD Set 3.2: A 442 GLN :FLIP amide:sc= -0.0943 F(o=-1,f=-0.19) USER MOD Set 4.1: A 79 LYS NZ :NH3+ 179:sc= 0.5 (180deg=-0.00974) USER MOD Set 4.2: A 451 ASN : amide:sc= 0.46 K(o=0.96,f=-1.6) USER MOD Set 5.1: A 40 TYR OH : rot -25:sc= 0.979 USER MOD Set 5.2: A 71 THR OG1 : rot -160:sc= 1.04 USER MOD Set 6.1: A 18 SER OG : rot 90:sc= 0.413 USER MOD Set 6.2: A 74 ASN : amide:sc= 0.172 X(o=0.58,f=1.1) USER MOD Set 7.1: A 3 SER OG : rot 180:sc= 0.302 USER MOD Set 7.2: A 50 LYS NZ :NH3+ 172:sc= 0.286 (180deg=-0.118) USER MOD Single : A 2 THR OG1 : rot -39:sc= 0.192 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.513 K(o=0.51,f=-0.016) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 20 SER OG : rot 84:sc= 1.11 USER MOD Single : A 26 GLN : amide:sc= -0.403 X(o=-0.4,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.31 X(o=-0.31,f=0) USER MOD Single : A 36 GLN : amide:sc=-0.00885 K(o=-0.0089,f=-2!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 43 SER OG : rot 80:sc= 0.88 USER MOD Single : A 46 THR OG1 : rot 50:sc= 0.0536 USER MOD Single : A 48 MET CE :methyl -164:sc= -0.61 (180deg=-1.12) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 52 THR OG1 : rot -59:sc= 0.221 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.015 X(o=-0.015,f=0) USER MOD Single : A 63 MET CE :methyl 167:sc= -2.25 (180deg=-2.4!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000118) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.598 F(o=-2.3,f=-0.6) USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.378 X(o=-0.38,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.0406 X(o=-0.041,f=-0.041) USER MOD Single : A 432 THR OG1 : rot 180:sc= -0.0064 USER MOD Single : A 436 TYR OH : rot 180:sc= 0 USER MOD Single : A 437 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0764) USER MOD Single : A 441 THR OG1 : rot 79:sc= 0.446 USER MOD Single : A 445 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 MET CE :methyl -120:sc= -0.236 (180deg=-1.78) USER MOD Single : A 447 MET CE :methyl -133:sc= -1.54 (180deg=-3.56!) USER MOD Single : A 448 SER OG : rot 180:sc= -0.0621 USER MOD Single : A 449 LYS NZ :NH3+ 180:sc= 0.421 (180deg=0.421) USER MOD Single : A 452 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 453 THR OG1 : rot 150:sc= -1.3! USER MOD Single : A 454 SER OG : rot -83:sc= 0.833 USER MOD Single : A 456 TYR OH : rot 180:sc= -0.857 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 462 THR OG1 : rot 69:sc= 1.11 USER MOD Single : A 465 ASN : amide:sc= -0.39 X(o=-0.39,f=-0.39) USER MOD Single : A 466 LYS NZ :NH3+ -167:sc= -0.0374 (180deg=-0.21) USER MOD Single : A 467 SER OG : rot 4:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -1.219 21.196 18.103 1.00 3.14 N ATOM 21 CA THR A 2 -2.256 20.498 17.306 1.00 21.25 C ATOM 22 C THR A 2 -1.660 19.701 16.128 1.00 12.34 C ATOM 23 O THR A 2 -2.007 18.530 15.946 1.00 71.15 O ATOM 24 CB THR A 2 -3.351 21.499 16.801 1.00 42.25 C ATOM 25 OG1 THR A 2 -2.728 22.651 16.224 1.00 14.45 O ATOM 26 CG2 THR A 2 -4.302 21.946 17.928 1.00 51.12 C ATOM 0 HA THR A 2 -2.727 19.777 17.974 1.00 21.25 H new ATOM 0 HB THR A 2 -3.945 20.974 16.053 1.00 42.25 H new ATOM 0 HG1 THR A 2 -1.942 22.898 16.754 1.00 14.45 H new ATOM 0 HG21 THR A 2 -5.042 22.639 17.527 1.00 51.12 H new ATOM 0 HG22 THR A 2 -4.808 21.075 18.344 1.00 51.12 H new ATOM 0 HG23 THR A 2 -3.729 22.441 18.712 1.00 51.12 H new ATOM 34 N SER A 3 -0.738 20.335 15.373 1.00 32.14 N ATOM 35 CA SER A 3 -0.065 19.703 14.222 1.00 15.22 C ATOM 36 C SER A 3 0.756 18.467 14.656 1.00 23.03 C ATOM 37 O SER A 3 0.733 17.419 13.992 1.00 3.12 O ATOM 38 CB SER A 3 0.842 20.730 13.511 1.00 1.12 C ATOM 39 OG SER A 3 0.089 21.820 13.011 1.00 61.35 O ATOM 0 H SER A 3 -0.441 21.296 15.544 1.00 32.14 H new ATOM 0 HA SER A 3 -0.832 19.362 13.527 1.00 15.22 H new ATOM 0 HB2 SER A 3 1.597 21.095 14.207 1.00 1.12 H new ATOM 0 HB3 SER A 3 1.372 20.245 12.692 1.00 1.12 H new ATOM 0 HG SER A 3 0.689 22.456 12.567 1.00 61.35 H new ATOM 45 N THR A 4 1.454 18.605 15.796 1.00 23.23 N ATOM 46 CA THR A 4 2.324 17.556 16.342 1.00 63.05 C ATOM 47 C THR A 4 1.501 16.370 16.879 1.00 44.42 C ATOM 48 O THR A 4 1.846 15.219 16.622 1.00 31.31 O ATOM 49 CB THR A 4 3.265 18.128 17.459 1.00 62.10 C ATOM 50 OG1 THR A 4 4.025 19.236 16.932 1.00 52.11 O ATOM 51 CG2 THR A 4 4.240 17.068 18.013 1.00 65.40 C ATOM 0 H THR A 4 1.429 19.451 16.365 1.00 23.23 H new ATOM 0 HA THR A 4 2.948 17.190 15.527 1.00 63.05 H new ATOM 0 HB THR A 4 2.626 18.453 18.280 1.00 62.10 H new ATOM 0 HG1 THR A 4 4.611 19.593 17.632 1.00 52.11 H new ATOM 0 HG21 THR A 4 4.867 17.518 18.783 1.00 65.40 H new ATOM 0 HG22 THR A 4 3.674 16.242 18.443 1.00 65.40 H new ATOM 0 HG23 THR A 4 4.869 16.694 17.205 1.00 65.40 H new ATOM 59 N VAL A 5 0.386 16.654 17.587 1.00 43.01 N ATOM 60 CA VAL A 5 -0.410 15.596 18.253 1.00 20.11 C ATOM 61 C VAL A 5 -1.252 14.801 17.230 1.00 30.23 C ATOM 62 O VAL A 5 -1.407 13.591 17.373 1.00 35.54 O ATOM 63 CB VAL A 5 -1.312 16.155 19.427 1.00 73.34 C ATOM 64 CG1 VAL A 5 -2.450 17.064 18.922 1.00 44.31 C ATOM 65 CG2 VAL A 5 -1.867 15.007 20.314 1.00 32.33 C ATOM 0 H VAL A 5 0.018 17.597 17.712 1.00 43.01 H new ATOM 0 HA VAL A 5 0.305 14.912 18.710 1.00 20.11 H new ATOM 0 HB VAL A 5 -0.662 16.776 20.043 1.00 73.34 H new ATOM 0 HG11 VAL A 5 -3.036 17.418 19.770 1.00 44.31 H new ATOM 0 HG12 VAL A 5 -2.026 17.917 18.392 1.00 44.31 H new ATOM 0 HG13 VAL A 5 -3.093 16.500 18.247 1.00 44.31 H new ATOM 0 HG21 VAL A 5 -2.482 15.427 21.110 1.00 32.33 H new ATOM 0 HG22 VAL A 5 -2.472 14.336 19.704 1.00 32.33 H new ATOM 0 HG23 VAL A 5 -1.037 14.451 20.751 1.00 32.33 H new ATOM 75 N GLU A 6 -1.760 15.481 16.172 1.00 52.34 N ATOM 76 CA GLU A 6 -2.509 14.805 15.086 1.00 71.22 C ATOM 77 C GLU A 6 -1.553 13.924 14.259 1.00 53.23 C ATOM 78 O GLU A 6 -1.939 12.862 13.775 1.00 24.53 O ATOM 79 CB GLU A 6 -3.246 15.834 14.180 1.00 72.04 C ATOM 80 CG GLU A 6 -2.322 16.748 13.356 1.00 51.54 C ATOM 81 CD GLU A 6 -3.055 17.835 12.556 1.00 44.20 C ATOM 82 OE1 GLU A 6 -3.482 18.835 13.158 1.00 23.01 O ATOM 83 OE2 GLU A 6 -3.180 17.704 11.317 1.00 11.45 O ATOM 0 H GLU A 6 -1.665 16.489 16.049 1.00 52.34 H new ATOM 0 HA GLU A 6 -3.270 14.168 15.537 1.00 71.22 H new ATOM 0 HB2 GLU A 6 -3.900 15.292 13.497 1.00 72.04 H new ATOM 0 HB3 GLU A 6 -3.884 16.457 14.807 1.00 72.04 H new ATOM 0 HG2 GLU A 6 -1.610 17.227 14.029 1.00 51.54 H new ATOM 0 HG3 GLU A 6 -1.744 16.133 12.666 1.00 51.54 H new ATOM 90 N PHE A 7 -0.296 14.398 14.123 1.00 25.21 N ATOM 91 CA PHE A 7 0.813 13.642 13.513 1.00 63.23 C ATOM 92 C PHE A 7 1.062 12.318 14.293 1.00 71.05 C ATOM 93 O PHE A 7 1.199 11.252 13.688 1.00 64.13 O ATOM 94 CB PHE A 7 2.067 14.558 13.503 1.00 13.22 C ATOM 95 CG PHE A 7 3.272 14.047 12.725 1.00 74.53 C ATOM 96 CD1 PHE A 7 4.370 13.481 13.376 1.00 10.41 C ATOM 97 CD2 PHE A 7 3.317 14.164 11.336 1.00 30.14 C ATOM 98 CE1 PHE A 7 5.467 13.050 12.661 1.00 14.53 C ATOM 99 CE2 PHE A 7 4.415 13.727 10.628 1.00 53.03 C ATOM 100 CZ PHE A 7 5.490 13.175 11.289 1.00 11.25 C ATOM 0 H PHE A 7 -0.022 15.328 14.439 1.00 25.21 H new ATOM 0 HA PHE A 7 0.570 13.358 12.489 1.00 63.23 H new ATOM 0 HB2 PHE A 7 1.780 15.526 13.092 1.00 13.22 H new ATOM 0 HB3 PHE A 7 2.374 14.729 14.535 1.00 13.22 H new ATOM 0 HD1 PHE A 7 4.360 13.380 14.451 1.00 10.41 H new ATOM 0 HD2 PHE A 7 2.482 14.602 10.810 1.00 30.14 H new ATOM 0 HE1 PHE A 7 6.310 12.614 13.177 1.00 14.53 H new ATOM 0 HE2 PHE A 7 4.433 13.817 9.552 1.00 53.03 H new ATOM 0 HZ PHE A 7 6.352 12.840 10.731 1.00 11.25 H new ATOM 110 N ILE A 8 1.061 12.427 15.647 1.00 24.55 N ATOM 111 CA ILE A 8 1.215 11.286 16.587 1.00 53.21 C ATOM 112 C ILE A 8 0.088 10.241 16.397 1.00 44.34 C ATOM 113 O ILE A 8 0.367 9.058 16.139 1.00 0.32 O ATOM 114 CB ILE A 8 1.204 11.800 18.088 1.00 40.25 C ATOM 115 CG1 ILE A 8 2.434 12.704 18.395 1.00 22.43 C ATOM 116 CG2 ILE A 8 1.117 10.641 19.104 1.00 12.12 C ATOM 117 CD1 ILE A 8 2.402 13.371 19.768 1.00 52.21 C ATOM 0 H ILE A 8 0.952 13.323 16.123 1.00 24.55 H new ATOM 0 HA ILE A 8 2.171 10.810 16.369 1.00 53.21 H new ATOM 0 HB ILE A 8 0.302 12.402 18.199 1.00 40.25 H new ATOM 0 HG12 ILE A 8 3.340 12.102 18.318 1.00 22.43 H new ATOM 0 HG13 ILE A 8 2.500 13.478 17.630 1.00 22.43 H new ATOM 0 HG21 ILE A 8 1.113 11.044 20.117 1.00 12.12 H new ATOM 0 HG22 ILE A 8 0.200 10.076 18.934 1.00 12.12 H new ATOM 0 HG23 ILE A 8 1.977 9.983 18.979 1.00 12.12 H new ATOM 0 HD11 ILE A 8 3.296 13.981 19.897 1.00 52.21 H new ATOM 0 HD12 ILE A 8 1.517 14.003 19.845 1.00 52.21 H new ATOM 0 HD13 ILE A 8 2.370 12.606 20.544 1.00 52.21 H new ATOM 129 N ASN A 9 -1.179 10.704 16.537 1.00 63.50 N ATOM 130 CA ASN A 9 -2.379 9.837 16.475 1.00 53.14 C ATOM 131 C ASN A 9 -2.482 9.116 15.125 1.00 25.11 C ATOM 132 O ASN A 9 -2.808 7.928 15.083 1.00 1.32 O ATOM 133 CB ASN A 9 -3.692 10.632 16.747 1.00 62.11 C ATOM 134 CG ASN A 9 -3.860 11.045 18.215 1.00 11.24 C ATOM 135 OD1 ASN A 9 -4.325 10.261 19.043 1.00 34.20 O ATOM 136 ND2 ASN A 9 -3.540 12.282 18.543 1.00 54.11 N ATOM 0 H ASN A 9 -1.396 11.688 16.696 1.00 63.50 H new ATOM 0 HA ASN A 9 -2.261 9.094 17.264 1.00 53.14 H new ATOM 0 HB2 ASN A 9 -3.703 11.525 16.122 1.00 62.11 H new ATOM 0 HB3 ASN A 9 -4.545 10.023 16.448 1.00 62.11 H new ATOM 0 HD21 ASN A 9 -3.676 12.607 19.500 1.00 54.11 H new ATOM 0 HD22 ASN A 9 -3.156 12.913 17.840 1.00 54.11 H new ATOM 143 N ARG A 10 -2.187 9.845 14.032 1.00 40.25 N ATOM 144 CA ARG A 10 -2.275 9.287 12.673 1.00 25.24 C ATOM 145 C ARG A 10 -1.156 8.284 12.401 1.00 34.02 C ATOM 146 O ARG A 10 -1.371 7.351 11.651 1.00 73.42 O ATOM 147 CB ARG A 10 -2.298 10.389 11.592 1.00 70.23 C ATOM 148 CG ARG A 10 -3.579 11.239 11.600 1.00 73.11 C ATOM 149 CD ARG A 10 -3.602 12.250 10.453 1.00 23.34 C ATOM 150 NE ARG A 10 -2.425 13.145 10.466 1.00 64.14 N ATOM 151 CZ ARG A 10 -2.469 14.479 10.374 1.00 63.21 C ATOM 152 NH1 ARG A 10 -3.634 15.113 10.265 1.00 41.12 N ATOM 153 NH2 ARG A 10 -1.348 15.184 10.410 1.00 51.30 N ATOM 0 H ARG A 10 -1.887 10.819 14.065 1.00 40.25 H new ATOM 0 HA ARG A 10 -3.224 8.754 12.618 1.00 25.24 H new ATOM 0 HB2 ARG A 10 -1.438 11.043 11.735 1.00 70.23 H new ATOM 0 HB3 ARG A 10 -2.187 9.926 10.612 1.00 70.23 H new ATOM 0 HG2 ARG A 10 -4.448 10.586 11.525 1.00 73.11 H new ATOM 0 HG3 ARG A 10 -3.658 11.767 12.550 1.00 73.11 H new ATOM 0 HD2 ARG A 10 -3.639 11.717 9.503 1.00 23.34 H new ATOM 0 HD3 ARG A 10 -4.511 12.848 10.518 1.00 23.34 H new ATOM 0 HE ARG A 10 -1.506 12.711 10.552 1.00 64.14 H new ATOM 0 HH11 ARG A 10 -4.504 14.582 10.251 1.00 41.12 H new ATOM 0 HH12 ARG A 10 -3.656 16.130 10.195 1.00 41.12 H new ATOM 0 HH21 ARG A 10 -0.450 14.710 10.508 1.00 51.30 H new ATOM 0 HH22 ARG A 10 -1.383 16.201 10.340 1.00 51.30 H new ATOM 167 N TRP A 11 0.031 8.470 13.012 1.00 13.24 N ATOM 168 CA TRP A 11 1.124 7.478 12.910 1.00 41.33 C ATOM 169 C TRP A 11 0.753 6.167 13.617 1.00 20.45 C ATOM 170 O TRP A 11 1.090 5.080 13.125 1.00 32.41 O ATOM 171 CB TRP A 11 2.488 8.041 13.423 1.00 41.04 C ATOM 172 CG TRP A 11 3.299 8.671 12.321 1.00 62.33 C ATOM 173 CD1 TRP A 11 3.681 9.969 12.201 1.00 53.22 C ATOM 174 CD2 TRP A 11 3.791 8.003 11.150 1.00 11.45 C ATOM 175 NE1 TRP A 11 4.382 10.148 11.039 1.00 3.41 N ATOM 176 CE2 TRP A 11 4.460 8.957 10.375 1.00 74.42 C ATOM 177 CE3 TRP A 11 3.722 6.684 10.689 1.00 12.43 C ATOM 178 CZ2 TRP A 11 5.049 8.642 9.153 1.00 62.31 C ATOM 179 CZ3 TRP A 11 4.315 6.368 9.489 1.00 71.13 C ATOM 180 CH2 TRP A 11 4.968 7.341 8.731 1.00 2.03 C ATOM 0 H TRP A 11 0.258 9.289 13.576 1.00 13.24 H new ATOM 0 HA TRP A 11 1.257 7.260 11.850 1.00 41.33 H new ATOM 0 HB2 TRP A 11 2.303 8.780 14.203 1.00 41.04 H new ATOM 0 HB3 TRP A 11 3.063 7.235 13.878 1.00 41.04 H new ATOM 0 HD1 TRP A 11 3.463 10.747 12.918 1.00 53.22 H new ATOM 0 HE1 TRP A 11 4.782 11.030 10.720 1.00 3.41 H new ATOM 0 HE3 TRP A 11 3.212 5.927 11.266 1.00 12.43 H new ATOM 0 HZ2 TRP A 11 5.550 9.394 8.561 1.00 62.31 H new ATOM 0 HZ3 TRP A 11 4.275 5.351 9.128 1.00 71.13 H new ATOM 0 HH2 TRP A 11 5.420 7.062 7.790 1.00 2.03 H new ATOM 191 N GLN A 12 0.058 6.280 14.767 1.00 32.33 N ATOM 192 CA GLN A 12 -0.542 5.121 15.452 1.00 30.21 C ATOM 193 C GLN A 12 -1.501 4.380 14.503 1.00 32.51 C ATOM 194 O GLN A 12 -1.446 3.149 14.400 1.00 42.43 O ATOM 195 CB GLN A 12 -1.287 5.574 16.732 1.00 70.05 C ATOM 196 CG GLN A 12 -1.952 4.433 17.527 1.00 33.21 C ATOM 197 CD GLN A 12 -2.692 4.899 18.783 1.00 42.11 C ATOM 198 OE1 GLN A 12 -3.197 6.020 18.851 1.00 34.13 O ATOM 199 NE2 GLN A 12 -2.780 4.032 19.775 1.00 33.43 N ATOM 0 H GLN A 12 -0.101 7.169 15.242 1.00 32.33 H new ATOM 0 HA GLN A 12 0.255 4.437 15.744 1.00 30.21 H new ATOM 0 HB2 GLN A 12 -0.582 6.090 17.384 1.00 70.05 H new ATOM 0 HB3 GLN A 12 -2.052 6.299 16.454 1.00 70.05 H new ATOM 0 HG2 GLN A 12 -2.654 3.912 16.876 1.00 33.21 H new ATOM 0 HG3 GLN A 12 -1.188 3.711 17.815 1.00 33.21 H new ATOM 0 HE21 GLN A 12 -2.350 3.111 19.687 1.00 33.43 H new ATOM 0 HE22 GLN A 12 -3.278 4.283 20.629 1.00 33.43 H new ATOM 208 N ARG A 13 -2.343 5.159 13.778 1.00 14.31 N ATOM 209 CA ARG A 13 -3.285 4.611 12.785 1.00 10.42 C ATOM 210 C ARG A 13 -2.513 3.828 11.696 1.00 74.32 C ATOM 211 O ARG A 13 -2.790 2.661 11.481 1.00 63.10 O ATOM 212 CB ARG A 13 -4.139 5.720 12.104 1.00 31.13 C ATOM 213 CG ARG A 13 -4.916 6.676 13.041 1.00 25.14 C ATOM 214 CD ARG A 13 -5.866 5.977 14.028 1.00 2.34 C ATOM 215 NE ARG A 13 -6.679 6.960 14.780 1.00 0.05 N ATOM 216 CZ ARG A 13 -6.782 7.046 16.120 1.00 25.41 C ATOM 217 NH1 ARG A 13 -6.119 6.215 16.917 1.00 62.13 N ATOM 218 NH2 ARG A 13 -7.569 7.964 16.658 1.00 51.13 N ATOM 0 H ARG A 13 -2.384 6.174 13.868 1.00 14.31 H new ATOM 0 HA ARG A 13 -3.962 3.947 13.322 1.00 10.42 H new ATOM 0 HB2 ARG A 13 -3.479 6.320 11.477 1.00 31.13 H new ATOM 0 HB3 ARG A 13 -4.856 5.237 11.441 1.00 31.13 H new ATOM 0 HG2 ARG A 13 -4.199 7.270 13.607 1.00 25.14 H new ATOM 0 HG3 ARG A 13 -5.494 7.370 12.431 1.00 25.14 H new ATOM 0 HD2 ARG A 13 -6.523 5.298 13.485 1.00 2.34 H new ATOM 0 HD3 ARG A 13 -5.288 5.371 14.725 1.00 2.34 H new ATOM 0 HE ARG A 13 -7.211 7.636 14.231 1.00 0.05 H new ATOM 0 HH11 ARG A 13 -5.518 5.495 16.516 1.00 62.13 H new ATOM 0 HH12 ARG A 13 -6.211 6.297 17.930 1.00 62.13 H new ATOM 0 HH21 ARG A 13 -8.093 8.601 16.058 1.00 51.13 H new ATOM 0 HH22 ARG A 13 -7.651 8.034 17.672 1.00 51.13 H new ATOM 232 N ILE A 14 -1.503 4.496 11.081 1.00 64.44 N ATOM 233 CA ILE A 14 -0.712 3.966 9.940 1.00 12.34 C ATOM 234 C ILE A 14 -0.055 2.610 10.283 1.00 21.35 C ATOM 235 O ILE A 14 -0.097 1.684 9.482 1.00 71.01 O ATOM 236 CB ILE A 14 0.401 5.006 9.491 1.00 13.41 C ATOM 237 CG1 ILE A 14 -0.239 6.335 8.982 1.00 75.22 C ATOM 238 CG2 ILE A 14 1.342 4.426 8.409 1.00 74.34 C ATOM 239 CD1 ILE A 14 0.740 7.483 8.761 1.00 34.20 C ATOM 0 H ILE A 14 -1.211 5.430 11.368 1.00 64.44 H new ATOM 0 HA ILE A 14 -1.406 3.809 9.114 1.00 12.34 H new ATOM 0 HB ILE A 14 1.000 5.218 10.377 1.00 13.41 H new ATOM 0 HG12 ILE A 14 -0.757 6.134 8.044 1.00 75.22 H new ATOM 0 HG13 ILE A 14 -0.993 6.655 9.701 1.00 75.22 H new ATOM 0 HG21 ILE A 14 2.086 5.174 8.135 1.00 74.34 H new ATOM 0 HG22 ILE A 14 1.844 3.541 8.800 1.00 74.34 H new ATOM 0 HG23 ILE A 14 0.760 4.153 7.529 1.00 74.34 H new ATOM 0 HD11 ILE A 14 0.198 8.360 8.408 1.00 34.20 H new ATOM 0 HD12 ILE A 14 1.241 7.719 9.700 1.00 34.20 H new ATOM 0 HD13 ILE A 14 1.481 7.191 8.017 1.00 34.20 H new ATOM 251 N ALA A 15 0.518 2.516 11.496 1.00 11.53 N ATOM 252 CA ALA A 15 1.241 1.315 11.959 1.00 14.33 C ATOM 253 C ALA A 15 0.292 0.127 12.208 1.00 65.32 C ATOM 254 O ALA A 15 0.586 -1.014 11.814 1.00 54.53 O ATOM 255 CB ALA A 15 2.024 1.644 13.228 1.00 2.44 C ATOM 0 H ALA A 15 0.494 3.269 12.184 1.00 11.53 H new ATOM 0 HA ALA A 15 1.930 1.015 11.170 1.00 14.33 H new ATOM 0 HB1 ALA A 15 2.557 0.756 13.567 1.00 2.44 H new ATOM 0 HB2 ALA A 15 2.740 2.438 13.018 1.00 2.44 H new ATOM 0 HB3 ALA A 15 1.335 1.973 14.006 1.00 2.44 H new ATOM 261 N LEU A 16 -0.847 0.408 12.874 1.00 5.23 N ATOM 262 CA LEU A 16 -1.865 -0.618 13.166 1.00 15.40 C ATOM 263 C LEU A 16 -2.557 -1.079 11.865 1.00 65.04 C ATOM 264 O LEU A 16 -2.875 -2.260 11.716 1.00 32.22 O ATOM 265 CB LEU A 16 -2.902 -0.089 14.196 1.00 11.13 C ATOM 266 CG LEU A 16 -2.343 0.304 15.608 1.00 51.55 C ATOM 267 CD1 LEU A 16 -3.467 0.797 16.538 1.00 53.42 C ATOM 268 CD2 LEU A 16 -1.564 -0.853 16.259 1.00 4.04 C ATOM 0 H LEU A 16 -1.083 1.338 13.219 1.00 5.23 H new ATOM 0 HA LEU A 16 -1.368 -1.481 13.608 1.00 15.40 H new ATOM 0 HB2 LEU A 16 -3.394 0.784 13.768 1.00 11.13 H new ATOM 0 HB3 LEU A 16 -3.668 -0.852 14.332 1.00 11.13 H new ATOM 0 HG LEU A 16 -1.644 1.126 15.455 1.00 51.55 H new ATOM 0 HD11 LEU A 16 -3.047 1.061 17.508 1.00 53.42 H new ATOM 0 HD12 LEU A 16 -3.945 1.673 16.099 1.00 53.42 H new ATOM 0 HD13 LEU A 16 -4.206 0.006 16.666 1.00 53.42 H new ATOM 0 HD21 LEU A 16 -1.194 -0.539 17.235 1.00 4.04 H new ATOM 0 HD22 LEU A 16 -2.223 -1.713 16.380 1.00 4.04 H new ATOM 0 HD23 LEU A 16 -0.722 -1.128 15.623 1.00 4.04 H new ATOM 280 N LEU A 17 -2.744 -0.128 10.918 1.00 64.22 N ATOM 281 CA LEU A 17 -3.328 -0.400 9.590 1.00 74.32 C ATOM 282 C LEU A 17 -2.402 -1.304 8.779 1.00 72.32 C ATOM 283 O LEU A 17 -2.823 -2.373 8.380 1.00 72.21 O ATOM 284 CB LEU A 17 -3.642 0.917 8.805 1.00 24.21 C ATOM 285 CG LEU A 17 -4.843 1.757 9.342 1.00 31.41 C ATOM 286 CD1 LEU A 17 -4.993 3.095 8.588 1.00 32.25 C ATOM 287 CD2 LEU A 17 -6.146 0.938 9.292 1.00 75.52 C ATOM 0 H LEU A 17 -2.492 0.850 11.058 1.00 64.22 H new ATOM 0 HA LEU A 17 -4.276 -0.914 9.747 1.00 74.32 H new ATOM 0 HB2 LEU A 17 -2.751 1.545 8.814 1.00 24.21 H new ATOM 0 HB3 LEU A 17 -3.839 0.659 7.764 1.00 24.21 H new ATOM 0 HG LEU A 17 -4.634 2.001 10.383 1.00 31.41 H new ATOM 0 HD11 LEU A 17 -5.840 3.648 8.993 1.00 32.25 H new ATOM 0 HD12 LEU A 17 -4.084 3.684 8.708 1.00 32.25 H new ATOM 0 HD13 LEU A 17 -5.161 2.899 7.529 1.00 32.25 H new ATOM 0 HD21 LEU A 17 -6.970 1.542 9.671 1.00 75.52 H new ATOM 0 HD22 LEU A 17 -6.353 0.646 8.262 1.00 75.52 H new ATOM 0 HD23 LEU A 17 -6.038 0.045 9.907 1.00 75.52 H new ATOM 299 N SER A 18 -1.127 -0.876 8.615 1.00 30.04 N ATOM 300 CA SER A 18 -0.114 -1.585 7.800 1.00 54.44 C ATOM 301 C SER A 18 0.019 -3.051 8.230 1.00 21.11 C ATOM 302 O SER A 18 0.050 -3.948 7.388 1.00 72.31 O ATOM 303 CB SER A 18 1.257 -0.874 7.906 1.00 41.31 C ATOM 304 OG SER A 18 1.682 -0.751 9.250 1.00 20.40 O ATOM 0 H SER A 18 -0.772 -0.024 9.048 1.00 30.04 H new ATOM 0 HA SER A 18 -0.447 -1.564 6.762 1.00 54.44 H new ATOM 0 HB2 SER A 18 2.001 -1.433 7.339 1.00 41.31 H new ATOM 0 HB3 SER A 18 1.189 0.116 7.454 1.00 41.31 H new ATOM 0 HG SER A 18 2.209 -1.538 9.500 1.00 20.40 H new ATOM 310 N GLN A 19 0.060 -3.255 9.560 1.00 53.53 N ATOM 311 CA GLN A 19 0.144 -4.585 10.179 1.00 64.02 C ATOM 312 C GLN A 19 -1.112 -5.435 9.865 1.00 1.14 C ATOM 313 O GLN A 19 -0.994 -6.593 9.439 1.00 23.23 O ATOM 314 CB GLN A 19 0.333 -4.420 11.710 1.00 63.23 C ATOM 315 CG GLN A 19 0.567 -5.732 12.481 1.00 15.14 C ATOM 316 CD GLN A 19 0.701 -5.556 14.001 1.00 3.33 C ATOM 317 OE1 GLN A 19 -0.028 -4.605 14.580 1.00 21.11 O flip ATOM 318 NE2 GLN A 19 1.435 -6.300 14.657 1.00 43.31 N flip ATOM 0 H GLN A 19 0.035 -2.493 10.238 1.00 53.53 H new ATOM 0 HA GLN A 19 1.000 -5.116 9.763 1.00 64.02 H new ATOM 0 HB2 GLN A 19 1.179 -3.756 11.887 1.00 63.23 H new ATOM 0 HB3 GLN A 19 -0.549 -3.928 12.119 1.00 63.23 H new ATOM 0 HG2 GLN A 19 -0.260 -6.412 12.277 1.00 15.14 H new ATOM 0 HG3 GLN A 19 1.471 -6.207 12.101 1.00 15.14 H new ATOM 0 HE21 GLN A 19 1.983 -7.021 14.186 1.00 43.31 H new ATOM 0 HE22 GLN A 19 1.494 -6.195 15.670 1.00 43.31 H new ATOM 327 N SER A 20 -2.307 -4.830 10.047 1.00 31.24 N ATOM 328 CA SER A 20 -3.601 -5.523 9.857 1.00 35.25 C ATOM 329 C SER A 20 -3.834 -5.927 8.389 1.00 63.33 C ATOM 330 O SER A 20 -4.119 -7.090 8.112 1.00 75.25 O ATOM 331 CB SER A 20 -4.771 -4.649 10.360 1.00 4.34 C ATOM 332 OG SER A 20 -4.652 -4.396 11.749 1.00 63.41 O ATOM 0 H SER A 20 -2.402 -3.854 10.328 1.00 31.24 H new ATOM 0 HA SER A 20 -3.560 -6.438 10.448 1.00 35.25 H new ATOM 0 HB2 SER A 20 -4.786 -3.706 9.814 1.00 4.34 H new ATOM 0 HB3 SER A 20 -5.718 -5.150 10.157 1.00 4.34 H new ATOM 0 HG SER A 20 -4.049 -3.637 11.893 1.00 63.41 H new ATOM 338 N LEU A 21 -3.691 -4.961 7.458 1.00 10.35 N ATOM 339 CA LEU A 21 -3.930 -5.195 6.022 1.00 41.45 C ATOM 340 C LEU A 21 -2.844 -6.100 5.412 1.00 24.34 C ATOM 341 O LEU A 21 -3.097 -6.768 4.411 1.00 70.44 O ATOM 342 CB LEU A 21 -4.125 -3.848 5.247 1.00 42.22 C ATOM 343 CG LEU A 21 -2.980 -2.765 5.310 1.00 12.33 C ATOM 344 CD1 LEU A 21 -1.776 -3.108 4.426 1.00 15.31 C ATOM 345 CD2 LEU A 21 -3.502 -1.352 4.975 1.00 14.44 C ATOM 0 H LEU A 21 -3.409 -4.006 7.679 1.00 10.35 H new ATOM 0 HA LEU A 21 -4.869 -5.739 5.917 1.00 41.45 H new ATOM 0 HB2 LEU A 21 -4.292 -4.092 4.198 1.00 42.22 H new ATOM 0 HB3 LEU A 21 -5.040 -3.384 5.616 1.00 42.22 H new ATOM 0 HG LEU A 21 -2.635 -2.771 6.344 1.00 12.33 H new ATOM 0 HD11 LEU A 21 -1.024 -2.324 4.514 1.00 15.31 H new ATOM 0 HD12 LEU A 21 -1.348 -4.058 4.746 1.00 15.31 H new ATOM 0 HD13 LEU A 21 -2.098 -3.187 3.388 1.00 15.31 H new ATOM 0 HD21 LEU A 21 -2.680 -0.638 5.030 1.00 14.44 H new ATOM 0 HD22 LEU A 21 -3.919 -1.348 3.968 1.00 14.44 H new ATOM 0 HD23 LEU A 21 -4.276 -1.071 5.690 1.00 14.44 H new ATOM 357 N LEU A 22 -1.647 -6.124 6.039 1.00 23.45 N ATOM 358 CA LEU A 22 -0.583 -7.090 5.702 1.00 32.43 C ATOM 359 C LEU A 22 -1.074 -8.520 5.954 1.00 22.01 C ATOM 360 O LEU A 22 -0.911 -9.406 5.100 1.00 4.03 O ATOM 361 CB LEU A 22 0.691 -6.822 6.540 1.00 11.14 C ATOM 362 CG LEU A 22 1.848 -7.849 6.373 1.00 24.30 C ATOM 363 CD1 LEU A 22 2.367 -7.876 4.922 1.00 43.35 C ATOM 364 CD2 LEU A 22 2.975 -7.577 7.385 1.00 22.33 C ATOM 0 H LEU A 22 -1.394 -5.478 6.787 1.00 23.45 H new ATOM 0 HA LEU A 22 -0.336 -6.971 4.647 1.00 32.43 H new ATOM 0 HB2 LEU A 22 1.070 -5.833 6.282 1.00 11.14 H new ATOM 0 HB3 LEU A 22 0.409 -6.791 7.592 1.00 11.14 H new ATOM 0 HG LEU A 22 1.453 -8.842 6.587 1.00 24.30 H new ATOM 0 HD11 LEU A 22 3.175 -8.603 4.838 1.00 43.35 H new ATOM 0 HD12 LEU A 22 1.555 -8.156 4.250 1.00 43.35 H new ATOM 0 HD13 LEU A 22 2.739 -6.888 4.650 1.00 43.35 H new ATOM 0 HD21 LEU A 22 3.772 -8.308 7.248 1.00 22.33 H new ATOM 0 HD22 LEU A 22 3.372 -6.574 7.227 1.00 22.33 H new ATOM 0 HD23 LEU A 22 2.581 -7.656 8.398 1.00 22.33 H new ATOM 376 N GLU A 23 -1.674 -8.721 7.148 1.00 23.42 N ATOM 377 CA GLU A 23 -2.300 -9.994 7.528 1.00 60.04 C ATOM 378 C GLU A 23 -3.413 -10.357 6.528 1.00 33.31 C ATOM 379 O GLU A 23 -3.448 -11.467 6.034 1.00 2.43 O ATOM 380 CB GLU A 23 -2.840 -9.926 8.979 1.00 34.33 C ATOM 381 CG GLU A 23 -1.741 -9.735 10.045 1.00 62.40 C ATOM 382 CD GLU A 23 -2.297 -9.523 11.459 1.00 12.22 C ATOM 383 OE1 GLU A 23 -2.676 -10.520 12.117 1.00 54.24 O ATOM 384 OE2 GLU A 23 -2.376 -8.365 11.921 1.00 33.45 O ATOM 0 H GLU A 23 -1.735 -8.003 7.870 1.00 23.42 H new ATOM 0 HA GLU A 23 -1.547 -10.782 7.495 1.00 60.04 H new ATOM 0 HB2 GLU A 23 -3.552 -9.104 9.053 1.00 34.33 H new ATOM 0 HB3 GLU A 23 -3.388 -10.843 9.196 1.00 34.33 H new ATOM 0 HG2 GLU A 23 -1.089 -10.609 10.046 1.00 62.40 H new ATOM 0 HG3 GLU A 23 -1.125 -8.878 9.772 1.00 62.40 H new ATOM 391 N LEU A 24 -4.259 -9.366 6.188 1.00 33.32 N ATOM 392 CA LEU A 24 -5.391 -9.540 5.244 1.00 61.24 C ATOM 393 C LEU A 24 -4.906 -9.914 3.821 1.00 1.35 C ATOM 394 O LEU A 24 -5.574 -10.669 3.114 1.00 64.35 O ATOM 395 CB LEU A 24 -6.242 -8.245 5.211 1.00 11.24 C ATOM 396 CG LEU A 24 -6.839 -7.806 6.590 1.00 11.20 C ATOM 397 CD1 LEU A 24 -7.448 -6.394 6.508 1.00 40.31 C ATOM 398 CD2 LEU A 24 -7.857 -8.839 7.119 1.00 4.11 C ATOM 0 H LEU A 24 -4.181 -8.419 6.558 1.00 33.32 H new ATOM 0 HA LEU A 24 -6.005 -10.369 5.598 1.00 61.24 H new ATOM 0 HB2 LEU A 24 -5.625 -7.433 4.825 1.00 11.24 H new ATOM 0 HB3 LEU A 24 -7.062 -8.385 4.506 1.00 11.24 H new ATOM 0 HG LEU A 24 -6.021 -7.766 7.309 1.00 11.20 H new ATOM 0 HD11 LEU A 24 -7.855 -6.116 7.480 1.00 40.31 H new ATOM 0 HD12 LEU A 24 -6.676 -5.681 6.221 1.00 40.31 H new ATOM 0 HD13 LEU A 24 -8.245 -6.384 5.765 1.00 40.31 H new ATOM 0 HD21 LEU A 24 -8.252 -8.503 8.078 1.00 4.11 H new ATOM 0 HD22 LEU A 24 -8.675 -8.942 6.406 1.00 4.11 H new ATOM 0 HD23 LEU A 24 -7.364 -9.803 7.247 1.00 4.11 H new ATOM 410 N ALA A 25 -3.728 -9.382 3.439 1.00 41.35 N ATOM 411 CA ALA A 25 -3.088 -9.655 2.139 1.00 3.31 C ATOM 412 C ALA A 25 -2.633 -11.125 2.048 1.00 62.31 C ATOM 413 O ALA A 25 -2.910 -11.808 1.059 1.00 33.03 O ATOM 414 CB ALA A 25 -1.899 -8.702 1.919 1.00 13.33 C ATOM 0 H ALA A 25 -3.191 -8.746 4.029 1.00 41.35 H new ATOM 0 HA ALA A 25 -3.822 -9.482 1.352 1.00 3.31 H new ATOM 0 HB1 ALA A 25 -1.436 -8.915 0.956 1.00 13.33 H new ATOM 0 HB2 ALA A 25 -2.252 -7.671 1.932 1.00 13.33 H new ATOM 0 HB3 ALA A 25 -1.166 -8.845 2.713 1.00 13.33 H new ATOM 420 N GLN A 26 -1.946 -11.607 3.104 1.00 35.04 N ATOM 421 CA GLN A 26 -1.464 -13.008 3.166 1.00 33.40 C ATOM 422 C GLN A 26 -2.606 -13.989 3.505 1.00 61.30 C ATOM 423 O GLN A 26 -2.470 -15.196 3.285 1.00 31.03 O ATOM 424 CB GLN A 26 -0.280 -13.151 4.163 1.00 4.20 C ATOM 425 CG GLN A 26 -0.597 -12.771 5.623 1.00 13.32 C ATOM 426 CD GLN A 26 0.566 -12.951 6.606 1.00 10.30 C ATOM 427 OE1 GLN A 26 0.354 -13.234 7.787 1.00 20.21 O ATOM 428 NE2 GLN A 26 1.795 -12.770 6.153 1.00 3.54 N ATOM 0 H GLN A 26 -1.711 -11.050 3.926 1.00 35.04 H new ATOM 0 HA GLN A 26 -1.097 -13.271 2.174 1.00 33.40 H new ATOM 0 HB2 GLN A 26 0.069 -14.184 4.141 1.00 4.20 H new ATOM 0 HB3 GLN A 26 0.544 -12.529 3.814 1.00 4.20 H new ATOM 0 HG2 GLN A 26 -0.918 -11.730 5.650 1.00 13.32 H new ATOM 0 HG3 GLN A 26 -1.439 -13.373 5.965 1.00 13.32 H new ATOM 0 HE21 GLN A 26 1.948 -12.536 5.172 1.00 3.54 H new ATOM 0 HE22 GLN A 26 2.590 -12.864 6.785 1.00 3.54 H new ATOM 437 N ARG A 27 -3.724 -13.461 4.041 1.00 21.02 N ATOM 438 CA ARG A 27 -4.968 -14.234 4.253 1.00 52.01 C ATOM 439 C ARG A 27 -5.755 -14.349 2.931 1.00 44.02 C ATOM 440 O ARG A 27 -6.549 -15.278 2.755 1.00 44.03 O ATOM 441 CB ARG A 27 -5.841 -13.579 5.360 1.00 71.01 C ATOM 442 CG ARG A 27 -5.301 -13.727 6.803 1.00 32.41 C ATOM 443 CD ARG A 27 -5.310 -15.179 7.305 1.00 2.34 C ATOM 444 NE ARG A 27 -6.666 -15.756 7.294 1.00 32.21 N ATOM 445 CZ ARG A 27 -7.069 -16.850 7.962 1.00 11.03 C ATOM 446 NH1 ARG A 27 -6.224 -17.545 8.727 1.00 24.21 N ATOM 447 NH2 ARG A 27 -8.329 -17.248 7.854 1.00 41.53 N ATOM 0 H ARG A 27 -3.792 -12.488 4.339 1.00 21.02 H new ATOM 0 HA ARG A 27 -4.701 -15.237 4.585 1.00 52.01 H new ATOM 0 HB2 ARG A 27 -5.946 -12.517 5.136 1.00 71.01 H new ATOM 0 HB3 ARG A 27 -6.839 -14.014 5.317 1.00 71.01 H new ATOM 0 HG2 ARG A 27 -4.282 -13.341 6.845 1.00 32.41 H new ATOM 0 HG3 ARG A 27 -5.902 -13.113 7.474 1.00 32.41 H new ATOM 0 HD2 ARG A 27 -4.653 -15.783 6.679 1.00 2.34 H new ATOM 0 HD3 ARG A 27 -4.908 -15.216 8.318 1.00 2.34 H new ATOM 0 HE ARG A 27 -7.365 -15.279 6.725 1.00 32.21 H new ATOM 0 HH11 ARG A 27 -5.252 -17.248 8.813 1.00 24.21 H new ATOM 0 HH12 ARG A 27 -6.551 -18.373 9.226 1.00 24.21 H new ATOM 0 HH21 ARG A 27 -8.981 -16.725 7.269 1.00 41.53 H new ATOM 0 HH22 ARG A 27 -8.647 -18.077 8.356 1.00 41.53 H new ATOM 461 N GLY A 28 -5.526 -13.382 2.015 1.00 54.13 N ATOM 462 CA GLY A 28 -6.089 -13.409 0.659 1.00 74.41 C ATOM 463 C GLY A 28 -7.291 -12.498 0.462 1.00 23.22 C ATOM 464 O GLY A 28 -7.840 -12.442 -0.647 1.00 34.50 O ATOM 0 H GLY A 28 -4.945 -12.564 2.201 1.00 54.13 H new ATOM 0 HA2 GLY A 28 -5.312 -13.124 -0.050 1.00 74.41 H new ATOM 0 HA3 GLY A 28 -6.380 -14.432 0.419 1.00 74.41 H new ATOM 468 N GLU A 29 -7.727 -11.804 1.530 1.00 20.43 N ATOM 469 CA GLU A 29 -8.850 -10.850 1.451 1.00 34.52 C ATOM 470 C GLU A 29 -8.358 -9.514 0.900 1.00 12.41 C ATOM 471 O GLU A 29 -7.901 -8.638 1.646 1.00 53.11 O ATOM 472 CB GLU A 29 -9.559 -10.650 2.819 1.00 5.13 C ATOM 473 CG GLU A 29 -10.442 -11.829 3.267 1.00 21.02 C ATOM 474 CD GLU A 29 -9.647 -13.106 3.554 1.00 52.02 C ATOM 475 OE1 GLU A 29 -9.687 -14.062 2.743 1.00 15.13 O ATOM 476 OE2 GLU A 29 -8.961 -13.147 4.590 1.00 61.35 O ATOM 0 H GLU A 29 -7.317 -11.886 2.460 1.00 20.43 H new ATOM 0 HA GLU A 29 -9.592 -11.273 0.773 1.00 34.52 H new ATOM 0 HB2 GLU A 29 -8.802 -10.471 3.582 1.00 5.13 H new ATOM 0 HB3 GLU A 29 -10.175 -9.753 2.765 1.00 5.13 H new ATOM 0 HG2 GLU A 29 -10.992 -11.542 4.164 1.00 21.02 H new ATOM 0 HG3 GLU A 29 -11.181 -12.035 2.493 1.00 21.02 H new ATOM 483 N TRP A 30 -8.430 -9.401 -0.431 1.00 0.54 N ATOM 484 CA TRP A 30 -8.097 -8.178 -1.158 1.00 3.34 C ATOM 485 C TRP A 30 -9.142 -7.101 -0.874 1.00 42.32 C ATOM 486 O TRP A 30 -8.799 -5.946 -0.781 1.00 12.12 O ATOM 487 CB TRP A 30 -7.981 -8.454 -2.681 1.00 41.41 C ATOM 488 CG TRP A 30 -7.149 -9.681 -2.999 1.00 0.13 C ATOM 489 CD1 TRP A 30 -7.532 -10.779 -3.733 1.00 32.31 C ATOM 490 CD2 TRP A 30 -5.814 -9.957 -2.548 1.00 14.33 C ATOM 491 NE1 TRP A 30 -6.517 -11.698 -3.766 1.00 10.21 N ATOM 492 CE2 TRP A 30 -5.460 -11.216 -3.049 1.00 32.31 C ATOM 493 CE3 TRP A 30 -4.884 -9.256 -1.772 1.00 5.45 C ATOM 494 CZ2 TRP A 30 -4.228 -11.793 -2.791 1.00 3.01 C ATOM 495 CZ3 TRP A 30 -3.658 -9.824 -1.525 1.00 14.53 C ATOM 496 CH2 TRP A 30 -3.341 -11.078 -2.032 1.00 24.30 C ATOM 0 H TRP A 30 -8.725 -10.166 -1.037 1.00 0.54 H new ATOM 0 HA TRP A 30 -7.127 -7.819 -0.813 1.00 3.34 H new ATOM 0 HB2 TRP A 30 -8.980 -8.581 -3.099 1.00 41.41 H new ATOM 0 HB3 TRP A 30 -7.539 -7.586 -3.169 1.00 41.41 H new ATOM 0 HD1 TRP A 30 -8.492 -10.899 -4.213 1.00 32.31 H new ATOM 0 HE1 TRP A 30 -6.546 -12.596 -4.248 1.00 10.21 H new ATOM 0 HE3 TRP A 30 -5.127 -8.282 -1.373 1.00 5.45 H new ATOM 0 HZ2 TRP A 30 -3.976 -12.771 -3.174 1.00 3.01 H new ATOM 0 HZ3 TRP A 30 -2.932 -9.290 -0.930 1.00 14.53 H new ATOM 0 HH2 TRP A 30 -2.369 -11.500 -1.822 1.00 24.30 H new ATOM 507 N ASP A 31 -10.415 -7.514 -0.701 1.00 54.34 N ATOM 508 CA ASP A 31 -11.520 -6.596 -0.332 1.00 42.43 C ATOM 509 C ASP A 31 -11.169 -5.795 0.930 1.00 31.41 C ATOM 510 O ASP A 31 -11.295 -4.572 0.956 1.00 24.53 O ATOM 511 CB ASP A 31 -12.838 -7.376 -0.090 1.00 12.32 C ATOM 512 CG ASP A 31 -13.354 -8.092 -1.344 1.00 63.33 C ATOM 513 OD1 ASP A 31 -13.168 -9.323 -1.463 1.00 53.03 O ATOM 514 OD2 ASP A 31 -13.939 -7.426 -2.226 1.00 1.23 O ATOM 0 H ASP A 31 -10.707 -8.485 -0.811 1.00 54.34 H new ATOM 0 HA ASP A 31 -11.661 -5.909 -1.166 1.00 42.43 H new ATOM 0 HB2 ASP A 31 -12.679 -8.110 0.700 1.00 12.32 H new ATOM 0 HB3 ASP A 31 -13.602 -6.685 0.266 1.00 12.32 H new ATOM 519 N LEU A 32 -10.685 -6.518 1.954 1.00 34.35 N ATOM 520 CA LEU A 32 -10.333 -5.939 3.256 1.00 11.53 C ATOM 521 C LEU A 32 -9.003 -5.160 3.183 1.00 35.42 C ATOM 522 O LEU A 32 -8.857 -4.132 3.837 1.00 45.21 O ATOM 523 CB LEU A 32 -10.286 -7.052 4.332 1.00 51.34 C ATOM 524 CG LEU A 32 -11.640 -7.779 4.616 1.00 1.14 C ATOM 525 CD1 LEU A 32 -11.473 -8.838 5.719 1.00 5.25 C ATOM 526 CD2 LEU A 32 -12.754 -6.777 4.984 1.00 25.13 C ATOM 0 H LEU A 32 -10.527 -7.524 1.899 1.00 34.35 H new ATOM 0 HA LEU A 32 -11.103 -5.221 3.539 1.00 11.53 H new ATOM 0 HB2 LEU A 32 -9.552 -7.797 4.025 1.00 51.34 H new ATOM 0 HB3 LEU A 32 -9.927 -6.616 5.264 1.00 51.34 H new ATOM 0 HG LEU A 32 -11.940 -8.284 3.698 1.00 1.14 H new ATOM 0 HD11 LEU A 32 -12.429 -9.330 5.899 1.00 5.25 H new ATOM 0 HD12 LEU A 32 -10.737 -9.578 5.404 1.00 5.25 H new ATOM 0 HD13 LEU A 32 -11.134 -8.357 6.637 1.00 5.25 H new ATOM 0 HD21 LEU A 32 -13.681 -7.318 5.175 1.00 25.13 H new ATOM 0 HD22 LEU A 32 -12.465 -6.224 5.878 1.00 25.13 H new ATOM 0 HD23 LEU A 32 -12.904 -6.080 4.159 1.00 25.13 H new ATOM 538 N LEU A 33 -8.052 -5.666 2.371 1.00 61.11 N ATOM 539 CA LEU A 33 -6.759 -4.992 2.088 1.00 0.04 C ATOM 540 C LEU A 33 -6.989 -3.579 1.488 1.00 54.01 C ATOM 541 O LEU A 33 -6.424 -2.587 1.959 1.00 30.42 O ATOM 542 CB LEU A 33 -5.925 -5.856 1.097 1.00 52.35 C ATOM 543 CG LEU A 33 -4.565 -5.246 0.609 1.00 24.13 C ATOM 544 CD1 LEU A 33 -3.538 -5.163 1.747 1.00 33.14 C ATOM 545 CD2 LEU A 33 -3.995 -6.020 -0.590 1.00 13.53 C ATOM 0 H LEU A 33 -8.156 -6.559 1.888 1.00 61.11 H new ATOM 0 HA LEU A 33 -6.215 -4.881 3.026 1.00 0.04 H new ATOM 0 HB2 LEU A 33 -5.718 -6.815 1.572 1.00 52.35 H new ATOM 0 HB3 LEU A 33 -6.541 -6.060 0.221 1.00 52.35 H new ATOM 0 HG LEU A 33 -4.775 -4.229 0.279 1.00 24.13 H new ATOM 0 HD11 LEU A 33 -2.610 -4.735 1.369 1.00 33.14 H new ATOM 0 HD12 LEU A 33 -3.929 -4.532 2.545 1.00 33.14 H new ATOM 0 HD13 LEU A 33 -3.345 -6.163 2.136 1.00 33.14 H new ATOM 0 HD21 LEU A 33 -3.053 -5.568 -0.900 1.00 13.53 H new ATOM 0 HD22 LEU A 33 -3.823 -7.058 -0.305 1.00 13.53 H new ATOM 0 HD23 LEU A 33 -4.704 -5.984 -1.417 1.00 13.53 H new ATOM 557 N LEU A 34 -7.860 -3.531 0.466 1.00 54.20 N ATOM 558 CA LEU A 34 -8.149 -2.316 -0.328 1.00 30.24 C ATOM 559 C LEU A 34 -9.126 -1.390 0.423 1.00 40.21 C ATOM 560 O LEU A 34 -9.155 -0.175 0.182 1.00 61.32 O ATOM 561 CB LEU A 34 -8.734 -2.741 -1.701 1.00 4.13 C ATOM 562 CG LEU A 34 -7.841 -3.717 -2.539 1.00 24.35 C ATOM 563 CD1 LEU A 34 -8.610 -4.284 -3.747 1.00 33.44 C ATOM 564 CD2 LEU A 34 -6.513 -3.068 -2.969 1.00 74.32 C ATOM 0 H LEU A 34 -8.393 -4.345 0.161 1.00 54.20 H new ATOM 0 HA LEU A 34 -7.227 -1.757 -0.485 1.00 30.24 H new ATOM 0 HB2 LEU A 34 -9.702 -3.214 -1.534 1.00 4.13 H new ATOM 0 HB3 LEU A 34 -8.916 -1.844 -2.293 1.00 4.13 H new ATOM 0 HG LEU A 34 -7.586 -4.552 -1.887 1.00 24.35 H new ATOM 0 HD11 LEU A 34 -7.962 -4.958 -4.307 1.00 33.44 H new ATOM 0 HD12 LEU A 34 -9.486 -4.831 -3.397 1.00 33.44 H new ATOM 0 HD13 LEU A 34 -8.928 -3.465 -4.393 1.00 33.44 H new ATOM 0 HD21 LEU A 34 -5.929 -3.784 -3.547 1.00 74.32 H new ATOM 0 HD22 LEU A 34 -6.719 -2.189 -3.580 1.00 74.32 H new ATOM 0 HD23 LEU A 34 -5.950 -2.771 -2.084 1.00 74.32 H new ATOM 576 N GLN A 35 -9.922 -1.981 1.333 1.00 51.13 N ATOM 577 CA GLN A 35 -10.797 -1.237 2.261 1.00 22.02 C ATOM 578 C GLN A 35 -9.937 -0.372 3.197 1.00 73.41 C ATOM 579 O GLN A 35 -10.271 0.779 3.493 1.00 50.41 O ATOM 580 CB GLN A 35 -11.669 -2.231 3.084 1.00 22.50 C ATOM 581 CG GLN A 35 -12.651 -1.592 4.097 1.00 21.41 C ATOM 582 CD GLN A 35 -13.711 -0.665 3.477 1.00 51.23 C ATOM 583 OE1 GLN A 35 -14.154 0.296 4.111 1.00 4.04 O ATOM 584 NE2 GLN A 35 -14.146 -0.941 2.252 1.00 35.12 N ATOM 0 H GLN A 35 -9.977 -2.993 1.447 1.00 51.13 H new ATOM 0 HA GLN A 35 -11.461 -0.587 1.691 1.00 22.02 H new ATOM 0 HB2 GLN A 35 -12.243 -2.843 2.388 1.00 22.50 H new ATOM 0 HB3 GLN A 35 -11.005 -2.904 3.627 1.00 22.50 H new ATOM 0 HG2 GLN A 35 -13.159 -2.389 4.640 1.00 21.41 H new ATOM 0 HG3 GLN A 35 -12.076 -1.024 4.829 1.00 21.41 H new ATOM 0 HE21 GLN A 35 -13.767 -1.740 1.744 1.00 35.12 H new ATOM 0 HE22 GLN A 35 -14.859 -0.353 1.820 1.00 35.12 H new ATOM 593 N GLN A 36 -8.806 -0.955 3.632 1.00 23.24 N ATOM 594 CA GLN A 36 -7.849 -0.288 4.524 1.00 43.21 C ATOM 595 C GLN A 36 -6.868 0.596 3.729 1.00 24.40 C ATOM 596 O GLN A 36 -6.336 1.545 4.294 1.00 45.34 O ATOM 597 CB GLN A 36 -7.081 -1.336 5.374 1.00 74.42 C ATOM 598 CG GLN A 36 -7.976 -2.257 6.237 1.00 42.12 C ATOM 599 CD GLN A 36 -8.907 -1.514 7.202 1.00 45.32 C ATOM 600 OE1 GLN A 36 -8.583 -0.445 7.711 1.00 15.43 O ATOM 601 NE2 GLN A 36 -10.082 -2.070 7.453 1.00 34.32 N ATOM 0 H GLN A 36 -8.532 -1.903 3.373 1.00 23.24 H new ATOM 0 HA GLN A 36 -8.409 0.361 5.197 1.00 43.21 H new ATOM 0 HB2 GLN A 36 -6.483 -1.956 4.706 1.00 74.42 H new ATOM 0 HB3 GLN A 36 -6.386 -0.812 6.029 1.00 74.42 H new ATOM 0 HG2 GLN A 36 -8.580 -2.879 5.576 1.00 42.12 H new ATOM 0 HG3 GLN A 36 -7.338 -2.928 6.812 1.00 42.12 H new ATOM 0 HE21 GLN A 36 -10.329 -2.959 7.018 1.00 34.32 H new ATOM 0 HE22 GLN A 36 -10.740 -1.609 8.081 1.00 34.32 H new ATOM 610 N GLU A 37 -6.652 0.273 2.419 1.00 52.11 N ATOM 611 CA GLU A 37 -5.729 1.018 1.514 1.00 3.44 C ATOM 612 C GLU A 37 -5.995 2.530 1.548 1.00 3.01 C ATOM 613 O GLU A 37 -5.076 3.318 1.772 1.00 74.04 O ATOM 614 CB GLU A 37 -5.873 0.545 0.035 1.00 50.32 C ATOM 615 CG GLU A 37 -5.005 1.340 -0.985 1.00 12.11 C ATOM 616 CD GLU A 37 -5.308 1.088 -2.478 1.00 32.45 C ATOM 617 OE1 GLU A 37 -5.974 0.091 -2.819 1.00 43.02 O ATOM 618 OE2 GLU A 37 -4.880 1.912 -3.325 1.00 23.41 O ATOM 0 H GLU A 37 -7.115 -0.513 1.963 1.00 52.11 H new ATOM 0 HA GLU A 37 -4.723 0.811 1.878 1.00 3.44 H new ATOM 0 HB2 GLU A 37 -5.605 -0.510 -0.024 1.00 50.32 H new ATOM 0 HB3 GLU A 37 -6.920 0.625 -0.258 1.00 50.32 H new ATOM 0 HG2 GLU A 37 -5.129 2.404 -0.785 1.00 12.11 H new ATOM 0 HG3 GLU A 37 -3.957 1.102 -0.803 1.00 12.11 H new ATOM 625 N VAL A 38 -7.272 2.897 1.315 1.00 22.52 N ATOM 626 CA VAL A 38 -7.694 4.299 1.212 1.00 62.23 C ATOM 627 C VAL A 38 -7.347 5.086 2.495 1.00 22.22 C ATOM 628 O VAL A 38 -6.740 6.151 2.415 1.00 1.51 O ATOM 629 CB VAL A 38 -9.226 4.423 0.857 1.00 30.40 C ATOM 630 CG1 VAL A 38 -9.504 3.905 -0.572 1.00 11.04 C ATOM 631 CG2 VAL A 38 -10.126 3.691 1.884 1.00 35.21 C ATOM 0 H VAL A 38 -8.033 2.229 1.194 1.00 22.52 H new ATOM 0 HA VAL A 38 -7.135 4.746 0.390 1.00 62.23 H new ATOM 0 HB VAL A 38 -9.478 5.483 0.901 1.00 30.40 H new ATOM 0 HG11 VAL A 38 -10.567 4.001 -0.793 1.00 11.04 H new ATOM 0 HG12 VAL A 38 -8.930 4.491 -1.290 1.00 11.04 H new ATOM 0 HG13 VAL A 38 -9.212 2.857 -0.642 1.00 11.04 H new ATOM 0 HG21 VAL A 38 -11.172 3.804 1.598 1.00 35.21 H new ATOM 0 HG22 VAL A 38 -9.868 2.632 1.904 1.00 35.21 H new ATOM 0 HG23 VAL A 38 -9.972 4.121 2.874 1.00 35.21 H new ATOM 641 N SER A 39 -7.665 4.496 3.666 1.00 21.10 N ATOM 642 CA SER A 39 -7.409 5.100 4.986 1.00 52.42 C ATOM 643 C SER A 39 -5.892 5.190 5.267 1.00 12.20 C ATOM 644 O SER A 39 -5.392 6.204 5.758 1.00 31.42 O ATOM 645 CB SER A 39 -8.113 4.251 6.076 1.00 64.42 C ATOM 646 OG SER A 39 -9.486 4.076 5.769 1.00 55.13 O ATOM 0 H SER A 39 -8.110 3.580 3.720 1.00 21.10 H new ATOM 0 HA SER A 39 -7.808 6.114 4.998 1.00 52.42 H new ATOM 0 HB2 SER A 39 -7.627 3.279 6.156 1.00 64.42 H new ATOM 0 HB3 SER A 39 -8.012 4.739 7.045 1.00 64.42 H new ATOM 0 HG SER A 39 -9.911 3.536 6.468 1.00 55.13 H new ATOM 652 N TYR A 40 -5.184 4.122 4.879 1.00 40.42 N ATOM 653 CA TYR A 40 -3.756 3.908 5.162 1.00 30.21 C ATOM 654 C TYR A 40 -2.874 4.919 4.411 1.00 63.23 C ATOM 655 O TYR A 40 -2.167 5.721 5.038 1.00 12.33 O ATOM 656 CB TYR A 40 -3.410 2.447 4.770 1.00 62.34 C ATOM 657 CG TYR A 40 -1.933 2.059 4.819 1.00 33.04 C ATOM 658 CD1 TYR A 40 -1.180 2.216 5.981 1.00 23.22 C ATOM 659 CD2 TYR A 40 -1.302 1.492 3.702 1.00 4.12 C ATOM 660 CE1 TYR A 40 0.136 1.823 6.025 1.00 54.21 C ATOM 661 CE2 TYR A 40 0.016 1.104 3.749 1.00 53.00 C ATOM 662 CZ TYR A 40 0.732 1.267 4.910 1.00 13.44 C ATOM 663 OH TYR A 40 2.041 0.860 4.965 1.00 12.33 O ATOM 0 H TYR A 40 -5.599 3.360 4.344 1.00 40.42 H new ATOM 0 HA TYR A 40 -3.558 4.065 6.222 1.00 30.21 H new ATOM 0 HB2 TYR A 40 -3.961 1.777 5.430 1.00 62.34 H new ATOM 0 HB3 TYR A 40 -3.776 2.269 3.759 1.00 62.34 H new ATOM 0 HD1 TYR A 40 -1.636 2.652 6.858 1.00 23.22 H new ATOM 0 HD2 TYR A 40 -1.862 1.358 2.788 1.00 4.12 H new ATOM 0 HE1 TYR A 40 0.706 1.949 6.934 1.00 54.21 H new ATOM 0 HE2 TYR A 40 0.486 0.673 2.877 1.00 53.00 H new ATOM 0 HH TYR A 40 2.511 1.364 5.661 1.00 12.33 H new ATOM 673 N LEU A 41 -2.951 4.871 3.068 1.00 41.33 N ATOM 674 CA LEU A 41 -2.168 5.738 2.183 1.00 40.21 C ATOM 675 C LEU A 41 -2.554 7.216 2.369 1.00 31.24 C ATOM 676 O LEU A 41 -1.680 8.073 2.317 1.00 10.40 O ATOM 677 CB LEU A 41 -2.320 5.280 0.702 1.00 41.12 C ATOM 678 CG LEU A 41 -1.751 3.852 0.371 1.00 53.32 C ATOM 679 CD1 LEU A 41 -2.023 3.459 -1.097 1.00 53.53 C ATOM 680 CD2 LEU A 41 -0.241 3.762 0.699 1.00 20.23 C ATOM 0 H LEU A 41 -3.563 4.225 2.569 1.00 41.33 H new ATOM 0 HA LEU A 41 -1.116 5.649 2.453 1.00 40.21 H new ATOM 0 HB2 LEU A 41 -3.378 5.299 0.441 1.00 41.12 H new ATOM 0 HB3 LEU A 41 -1.821 6.008 0.062 1.00 41.12 H new ATOM 0 HG LEU A 41 -2.276 3.138 1.005 1.00 53.32 H new ATOM 0 HD11 LEU A 41 -1.616 2.466 -1.289 1.00 53.53 H new ATOM 0 HD12 LEU A 41 -3.098 3.452 -1.279 1.00 53.53 H new ATOM 0 HD13 LEU A 41 -1.548 4.181 -1.761 1.00 53.53 H new ATOM 0 HD21 LEU A 41 0.124 2.763 0.460 1.00 20.23 H new ATOM 0 HD22 LEU A 41 0.304 4.499 0.109 1.00 20.23 H new ATOM 0 HD23 LEU A 41 -0.087 3.960 1.760 1.00 20.23 H new ATOM 692 N GLN A 42 -3.859 7.501 2.632 1.00 43.12 N ATOM 693 CA GLN A 42 -4.324 8.876 2.940 1.00 24.14 C ATOM 694 C GLN A 42 -3.646 9.418 4.213 1.00 32.13 C ATOM 695 O GLN A 42 -3.202 10.567 4.232 1.00 25.32 O ATOM 696 CB GLN A 42 -5.862 8.916 3.103 1.00 33.10 C ATOM 697 CG GLN A 42 -6.468 10.313 3.361 1.00 13.44 C ATOM 698 CD GLN A 42 -8.001 10.325 3.471 1.00 50.15 C ATOM 699 OE1 GLN A 42 -8.685 9.476 2.709 1.00 75.05 O flip ATOM 700 NE2 GLN A 42 -8.574 11.126 4.216 1.00 41.00 N flip ATOM 0 H GLN A 42 -4.600 6.800 2.636 1.00 43.12 H new ATOM 0 HA GLN A 42 -4.045 9.513 2.100 1.00 24.14 H new ATOM 0 HB2 GLN A 42 -6.316 8.503 2.202 1.00 33.10 H new ATOM 0 HB3 GLN A 42 -6.139 8.261 3.929 1.00 33.10 H new ATOM 0 HG2 GLN A 42 -6.046 10.715 4.282 1.00 13.44 H new ATOM 0 HG3 GLN A 42 -6.168 10.981 2.554 1.00 13.44 H new ATOM 0 HE21 GLN A 42 -8.028 11.768 4.791 1.00 41.00 H new ATOM 0 HE22 GLN A 42 -9.593 11.146 4.256 1.00 41.00 H new ATOM 709 N SER A 43 -3.564 8.568 5.265 1.00 10.20 N ATOM 710 CA SER A 43 -2.938 8.944 6.552 1.00 21.13 C ATOM 711 C SER A 43 -1.428 9.239 6.386 1.00 22.23 C ATOM 712 O SER A 43 -0.898 10.154 7.031 1.00 10.35 O ATOM 713 CB SER A 43 -3.185 7.861 7.624 1.00 55.40 C ATOM 714 OG SER A 43 -4.560 7.770 7.963 1.00 3.32 O ATOM 0 H SER A 43 -3.926 7.614 5.245 1.00 10.20 H new ATOM 0 HA SER A 43 -3.411 9.865 6.892 1.00 21.13 H new ATOM 0 HB2 SER A 43 -2.835 6.897 7.256 1.00 55.40 H new ATOM 0 HB3 SER A 43 -2.603 8.092 8.517 1.00 55.40 H new ATOM 0 HG SER A 43 -5.030 7.243 7.284 1.00 3.32 H new ATOM 720 N ILE A 44 -0.755 8.471 5.505 1.00 24.12 N ATOM 721 CA ILE A 44 0.668 8.692 5.160 1.00 62.55 C ATOM 722 C ILE A 44 0.841 10.043 4.419 1.00 5.03 C ATOM 723 O ILE A 44 1.678 10.881 4.781 1.00 4.12 O ATOM 724 CB ILE A 44 1.240 7.524 4.267 1.00 64.12 C ATOM 725 CG1 ILE A 44 1.145 6.145 5.003 1.00 33.13 C ATOM 726 CG2 ILE A 44 2.694 7.822 3.831 1.00 72.52 C ATOM 727 CD1 ILE A 44 1.600 4.942 4.180 1.00 22.31 C ATOM 0 H ILE A 44 -1.178 7.684 5.014 1.00 24.12 H new ATOM 0 HA ILE A 44 1.229 8.713 6.094 1.00 62.55 H new ATOM 0 HB ILE A 44 0.625 7.462 3.369 1.00 64.12 H new ATOM 0 HG12 ILE A 44 1.745 6.193 5.911 1.00 33.13 H new ATOM 0 HG13 ILE A 44 0.112 5.985 5.312 1.00 33.13 H new ATOM 0 HG21 ILE A 44 3.065 7.002 3.217 1.00 72.52 H new ATOM 0 HG22 ILE A 44 2.719 8.747 3.255 1.00 72.52 H new ATOM 0 HG23 ILE A 44 3.324 7.928 4.714 1.00 72.52 H new ATOM 0 HD11 ILE A 44 1.497 4.034 4.775 1.00 22.31 H new ATOM 0 HD12 ILE A 44 0.985 4.860 3.284 1.00 22.31 H new ATOM 0 HD13 ILE A 44 2.644 5.071 3.893 1.00 22.31 H new ATOM 739 N GLU A 45 0.017 10.238 3.388 1.00 54.42 N ATOM 740 CA GLU A 45 0.064 11.430 2.532 1.00 41.11 C ATOM 741 C GLU A 45 -0.327 12.705 3.304 1.00 1.51 C ATOM 742 O GLU A 45 0.115 13.790 2.939 1.00 24.22 O ATOM 743 CB GLU A 45 -0.845 11.224 1.291 1.00 25.13 C ATOM 744 CG GLU A 45 -0.365 10.095 0.344 1.00 40.11 C ATOM 745 CD GLU A 45 -1.339 9.820 -0.815 1.00 71.23 C ATOM 746 OE1 GLU A 45 -1.084 10.276 -1.957 1.00 13.14 O ATOM 747 OE2 GLU A 45 -2.380 9.160 -0.586 1.00 60.15 O ATOM 0 H GLU A 45 -0.707 9.571 3.120 1.00 54.42 H new ATOM 0 HA GLU A 45 1.092 11.568 2.197 1.00 41.11 H new ATOM 0 HB2 GLU A 45 -1.857 10.998 1.627 1.00 25.13 H new ATOM 0 HB3 GLU A 45 -0.896 12.158 0.731 1.00 25.13 H new ATOM 0 HG2 GLU A 45 0.609 10.362 -0.065 1.00 40.11 H new ATOM 0 HG3 GLU A 45 -0.229 9.180 0.920 1.00 40.11 H new ATOM 754 N THR A 46 -1.155 12.565 4.371 1.00 22.25 N ATOM 755 CA THR A 46 -1.610 13.719 5.175 1.00 12.03 C ATOM 756 C THR A 46 -0.621 14.080 6.311 1.00 44.30 C ATOM 757 O THR A 46 -0.555 15.248 6.715 1.00 2.21 O ATOM 758 CB THR A 46 -3.067 13.549 5.723 1.00 55.14 C ATOM 759 OG1 THR A 46 -3.562 14.816 6.171 1.00 64.14 O ATOM 760 CG2 THR A 46 -3.168 12.549 6.873 1.00 15.53 C ATOM 0 H THR A 46 -1.517 11.667 4.690 1.00 22.25 H new ATOM 0 HA THR A 46 -1.630 14.561 4.483 1.00 12.03 H new ATOM 0 HB THR A 46 -3.664 13.159 4.899 1.00 55.14 H new ATOM 0 HG1 THR A 46 -3.421 15.488 5.472 1.00 64.14 H new ATOM 0 HG21 THR A 46 -4.204 12.480 7.205 1.00 15.53 H new ATOM 0 HG22 THR A 46 -2.829 11.570 6.535 1.00 15.53 H new ATOM 0 HG23 THR A 46 -2.543 12.883 7.701 1.00 15.53 H new ATOM 768 N VAL A 47 0.151 13.092 6.846 1.00 70.34 N ATOM 769 CA VAL A 47 1.260 13.407 7.787 1.00 13.34 C ATOM 770 C VAL A 47 2.445 14.040 7.016 1.00 61.32 C ATOM 771 O VAL A 47 3.260 14.770 7.593 1.00 61.03 O ATOM 772 CB VAL A 47 1.757 12.173 8.645 1.00 4.24 C ATOM 773 CG1 VAL A 47 0.633 11.609 9.538 1.00 40.44 C ATOM 774 CG2 VAL A 47 2.386 11.060 7.782 1.00 43.02 C ATOM 0 H VAL A 47 0.030 12.099 6.648 1.00 70.34 H new ATOM 0 HA VAL A 47 0.852 14.118 8.505 1.00 13.34 H new ATOM 0 HB VAL A 47 2.545 12.555 9.294 1.00 4.24 H new ATOM 0 HG11 VAL A 47 1.013 10.763 10.111 1.00 40.44 H new ATOM 0 HG12 VAL A 47 0.288 12.385 10.221 1.00 40.44 H new ATOM 0 HG13 VAL A 47 -0.197 11.280 8.913 1.00 40.44 H new ATOM 0 HG21 VAL A 47 2.708 10.240 8.424 1.00 43.02 H new ATOM 0 HG22 VAL A 47 1.649 10.693 7.067 1.00 43.02 H new ATOM 0 HG23 VAL A 47 3.246 11.459 7.244 1.00 43.02 H new ATOM 784 N MET A 48 2.517 13.748 5.702 1.00 34.21 N ATOM 785 CA MET A 48 3.480 14.381 4.778 1.00 43.25 C ATOM 786 C MET A 48 2.934 15.701 4.188 1.00 60.03 C ATOM 787 O MET A 48 3.712 16.556 3.753 1.00 24.35 O ATOM 788 CB MET A 48 3.871 13.378 3.670 1.00 1.34 C ATOM 789 CG MET A 48 4.766 12.248 4.192 1.00 61.21 C ATOM 790 SD MET A 48 6.284 12.893 4.936 1.00 44.10 S ATOM 791 CE MET A 48 7.099 11.400 5.491 1.00 62.30 C ATOM 0 H MET A 48 1.908 13.065 5.251 1.00 34.21 H new ATOM 0 HA MET A 48 4.375 14.647 5.341 1.00 43.25 H new ATOM 0 HB2 MET A 48 2.967 12.950 3.236 1.00 1.34 H new ATOM 0 HB3 MET A 48 4.389 13.908 2.871 1.00 1.34 H new ATOM 0 HG2 MET A 48 4.219 11.661 4.930 1.00 61.21 H new ATOM 0 HG3 MET A 48 5.019 11.575 3.373 1.00 61.21 H new ATOM 0 HE1 MET A 48 7.883 11.657 6.203 1.00 62.30 H new ATOM 0 HE2 MET A 48 6.372 10.746 5.972 1.00 62.30 H new ATOM 0 HE3 MET A 48 7.539 10.886 4.636 1.00 62.30 H new ATOM 801 N GLU A 49 1.597 15.841 4.169 1.00 14.31 N ATOM 802 CA GLU A 49 0.913 17.131 3.894 1.00 70.21 C ATOM 803 C GLU A 49 1.165 18.096 5.059 1.00 52.43 C ATOM 804 O GLU A 49 1.283 19.310 4.871 1.00 21.23 O ATOM 805 CB GLU A 49 -0.608 16.883 3.727 1.00 14.23 C ATOM 806 CG GLU A 49 -1.481 18.139 3.541 1.00 71.02 C ATOM 807 CD GLU A 49 -2.982 17.813 3.593 1.00 3.32 C ATOM 808 OE1 GLU A 49 -3.628 17.711 2.524 1.00 64.42 O ATOM 809 OE2 GLU A 49 -3.512 17.625 4.709 1.00 51.21 O ATOM 0 H GLU A 49 0.955 15.068 4.343 1.00 14.31 H new ATOM 0 HA GLU A 49 1.304 17.569 2.976 1.00 70.21 H new ATOM 0 HB2 GLU A 49 -0.757 16.230 2.867 1.00 14.23 H new ATOM 0 HB3 GLU A 49 -0.966 16.342 4.603 1.00 14.23 H new ATOM 0 HG2 GLU A 49 -1.241 18.865 4.318 1.00 71.02 H new ATOM 0 HG3 GLU A 49 -1.245 18.606 2.585 1.00 71.02 H new ATOM 816 N LYS A 50 1.290 17.501 6.262 1.00 53.54 N ATOM 817 CA LYS A 50 1.627 18.204 7.503 1.00 12.23 C ATOM 818 C LYS A 50 3.087 18.723 7.463 1.00 73.02 C ATOM 819 O LYS A 50 3.479 19.547 8.295 1.00 74.23 O ATOM 820 CB LYS A 50 1.412 17.232 8.710 1.00 2.12 C ATOM 821 CG LYS A 50 1.385 17.874 10.130 1.00 31.31 C ATOM 822 CD LYS A 50 -0.012 18.383 10.569 1.00 51.02 C ATOM 823 CE LYS A 50 -0.545 19.601 9.787 1.00 30.31 C ATOM 824 NZ LYS A 50 0.230 20.840 10.058 1.00 51.02 N ATOM 0 H LYS A 50 1.156 16.499 6.394 1.00 53.54 H new ATOM 0 HA LYS A 50 0.977 19.071 7.617 1.00 12.23 H new ATOM 0 HB2 LYS A 50 0.471 16.703 8.558 1.00 2.12 H new ATOM 0 HB3 LYS A 50 2.205 16.484 8.690 1.00 2.12 H new ATOM 0 HG2 LYS A 50 1.737 17.140 10.855 1.00 31.31 H new ATOM 0 HG3 LYS A 50 2.087 18.707 10.153 1.00 31.31 H new ATOM 0 HD2 LYS A 50 -0.726 17.566 10.468 1.00 51.02 H new ATOM 0 HD3 LYS A 50 0.029 18.641 11.627 1.00 51.02 H new ATOM 0 HE2 LYS A 50 -0.514 19.384 8.719 1.00 30.31 H new ATOM 0 HE3 LYS A 50 -1.590 19.767 10.048 1.00 30.31 H new ATOM 0 HZ1 LYS A 50 -0.080 21.592 9.410 1.00 51.02 H new ATOM 0 HZ2 LYS A 50 0.070 21.141 11.041 1.00 51.02 H new ATOM 0 HZ3 LYS A 50 1.243 20.655 9.913 1.00 51.02 H new ATOM 838 N GLN A 51 3.881 18.184 6.490 1.00 3.20 N ATOM 839 CA GLN A 51 5.299 18.542 6.237 1.00 71.53 C ATOM 840 C GLN A 51 6.227 17.977 7.346 1.00 64.05 C ATOM 841 O GLN A 51 7.448 18.154 7.290 1.00 24.24 O ATOM 842 CB GLN A 51 5.461 20.096 6.057 1.00 73.20 C ATOM 843 CG GLN A 51 6.863 20.599 5.632 1.00 74.44 C ATOM 844 CD GLN A 51 6.985 22.130 5.610 1.00 32.14 C ATOM 845 OE1 GLN A 51 6.303 22.834 6.356 1.00 34.01 O ATOM 846 NE2 GLN A 51 7.865 22.659 4.774 1.00 2.33 N ATOM 0 H GLN A 51 3.537 17.471 5.847 1.00 3.20 H new ATOM 0 HA GLN A 51 5.608 18.077 5.301 1.00 71.53 H new ATOM 0 HB2 GLN A 51 4.738 20.431 5.313 1.00 73.20 H new ATOM 0 HB3 GLN A 51 5.196 20.578 6.998 1.00 73.20 H new ATOM 0 HG2 GLN A 51 7.608 20.193 6.316 1.00 74.44 H new ATOM 0 HG3 GLN A 51 7.095 20.210 4.641 1.00 74.44 H new ATOM 0 HE21 GLN A 51 8.418 22.055 4.166 1.00 2.33 H new ATOM 0 HE22 GLN A 51 7.990 23.671 4.738 1.00 2.33 H new ATOM 855 N THR A 52 5.627 17.224 8.307 1.00 20.32 N ATOM 856 CA THR A 52 6.282 16.786 9.556 1.00 73.13 C ATOM 857 C THR A 52 6.692 18.014 10.422 1.00 51.42 C ATOM 858 O THR A 52 7.596 18.762 10.034 1.00 21.32 O ATOM 859 CB THR A 52 7.514 15.839 9.283 1.00 34.44 C ATOM 860 OG1 THR A 52 7.069 14.672 8.561 1.00 72.02 O ATOM 861 CG2 THR A 52 8.226 15.406 10.584 1.00 14.33 C ATOM 0 H THR A 52 4.662 16.903 8.228 1.00 20.32 H new ATOM 0 HA THR A 52 5.555 16.199 10.117 1.00 73.13 H new ATOM 0 HB THR A 52 8.237 16.401 8.691 1.00 34.44 H new ATOM 0 HG1 THR A 52 6.390 14.201 9.088 1.00 72.02 H new ATOM 0 HG21 THR A 52 9.066 14.756 10.340 1.00 14.33 H new ATOM 0 HG22 THR A 52 8.591 16.288 11.110 1.00 14.33 H new ATOM 0 HG23 THR A 52 7.524 14.868 11.221 1.00 14.33 H new ATOM 869 N PRO A 53 6.012 18.268 11.595 1.00 23.13 N ATOM 870 CA PRO A 53 6.378 19.394 12.500 1.00 14.43 C ATOM 871 C PRO A 53 7.842 19.270 12.998 1.00 24.41 C ATOM 872 O PRO A 53 8.217 18.204 13.465 1.00 63.03 O ATOM 873 CB PRO A 53 5.363 19.254 13.679 1.00 11.51 C ATOM 874 CG PRO A 53 4.227 18.457 13.114 1.00 35.24 C ATOM 875 CD PRO A 53 4.859 17.495 12.132 1.00 54.31 C ATOM 0 HA PRO A 53 6.327 20.365 12.008 1.00 14.43 H new ATOM 0 HB2 PRO A 53 5.815 18.748 14.532 1.00 11.51 H new ATOM 0 HB3 PRO A 53 5.026 20.230 14.029 1.00 11.51 H new ATOM 0 HG2 PRO A 53 3.694 17.922 13.900 1.00 35.24 H new ATOM 0 HG3 PRO A 53 3.502 19.103 12.619 1.00 35.24 H new ATOM 0 HD2 PRO A 53 5.183 16.576 12.620 1.00 54.31 H new ATOM 0 HD3 PRO A 53 4.163 17.209 11.343 1.00 54.31 H new ATOM 883 N PRO A 54 8.708 20.328 12.873 1.00 51.13 N ATOM 884 CA PRO A 54 10.086 20.308 13.447 1.00 13.51 C ATOM 885 C PRO A 54 10.096 20.212 14.997 1.00 61.13 C ATOM 886 O PRO A 54 11.131 19.904 15.605 1.00 14.51 O ATOM 887 CB PRO A 54 10.718 21.636 12.933 1.00 54.42 C ATOM 888 CG PRO A 54 9.862 22.029 11.760 1.00 71.21 C ATOM 889 CD PRO A 54 8.463 21.581 12.123 1.00 1.32 C ATOM 0 HA PRO A 54 10.646 19.426 13.136 1.00 13.51 H new ATOM 0 HB2 PRO A 54 10.710 22.405 13.706 1.00 54.42 H new ATOM 0 HB3 PRO A 54 11.757 21.493 12.636 1.00 54.42 H new ATOM 0 HG2 PRO A 54 9.899 23.105 11.588 1.00 71.21 H new ATOM 0 HG3 PRO A 54 10.204 21.548 10.844 1.00 71.21 H new ATOM 0 HD2 PRO A 54 7.945 22.323 12.731 1.00 1.32 H new ATOM 0 HD3 PRO A 54 7.850 21.410 11.238 1.00 1.32 H new ATOM 897 N GLY A 55 8.919 20.457 15.616 1.00 3.20 N ATOM 898 CA GLY A 55 8.735 20.326 17.062 1.00 75.33 C ATOM 899 C GLY A 55 8.353 18.906 17.493 1.00 51.35 C ATOM 900 O GLY A 55 7.356 18.710 18.201 1.00 62.24 O ATOM 0 H GLY A 55 8.077 20.750 15.120 1.00 3.20 H new ATOM 0 HA2 GLY A 55 9.656 20.617 17.567 1.00 75.33 H new ATOM 0 HA3 GLY A 55 7.960 21.019 17.388 1.00 75.33 H new ATOM 904 N ILE A 56 9.137 17.907 17.031 1.00 54.30 N ATOM 905 CA ILE A 56 9.032 16.507 17.487 1.00 72.20 C ATOM 906 C ILE A 56 10.091 16.272 18.588 1.00 72.40 C ATOM 907 O ILE A 56 11.283 16.114 18.298 1.00 52.02 O ATOM 908 CB ILE A 56 9.246 15.484 16.293 1.00 42.45 C ATOM 909 CG1 ILE A 56 8.163 15.656 15.179 1.00 40.03 C ATOM 910 CG2 ILE A 56 9.284 14.016 16.783 1.00 4.41 C ATOM 911 CD1 ILE A 56 6.723 15.430 15.613 1.00 22.11 C ATOM 0 H ILE A 56 9.862 18.052 16.329 1.00 54.30 H new ATOM 0 HA ILE A 56 8.030 16.336 17.880 1.00 72.20 H new ATOM 0 HB ILE A 56 10.219 15.718 15.861 1.00 42.45 H new ATOM 0 HG12 ILE A 56 8.246 16.664 14.771 1.00 40.03 H new ATOM 0 HG13 ILE A 56 8.391 14.964 14.368 1.00 40.03 H new ATOM 0 HG21 ILE A 56 9.432 13.352 15.931 1.00 4.41 H new ATOM 0 HG22 ILE A 56 10.105 13.889 17.489 1.00 4.41 H new ATOM 0 HG23 ILE A 56 8.342 13.772 17.274 1.00 4.41 H new ATOM 0 HD11 ILE A 56 6.059 15.576 14.761 1.00 22.11 H new ATOM 0 HD12 ILE A 56 6.612 14.413 15.990 1.00 22.11 H new ATOM 0 HD13 ILE A 56 6.465 16.139 16.400 1.00 22.11 H new ATOM 923 N THR A 57 9.648 16.326 19.855 1.00 64.43 N ATOM 924 CA THR A 57 10.507 16.029 21.025 1.00 5.14 C ATOM 925 C THR A 57 10.696 14.500 21.183 1.00 44.21 C ATOM 926 O THR A 57 9.974 13.724 20.565 1.00 20.32 O ATOM 927 CB THR A 57 9.937 16.705 22.319 1.00 75.35 C ATOM 928 OG1 THR A 57 10.721 16.351 23.470 1.00 73.40 O ATOM 929 CG2 THR A 57 8.464 16.366 22.571 1.00 44.24 C ATOM 0 H THR A 57 8.690 16.575 20.102 1.00 64.43 H new ATOM 0 HA THR A 57 11.496 16.457 20.859 1.00 5.14 H new ATOM 0 HB THR A 57 9.999 17.780 22.152 1.00 75.35 H new ATOM 0 HG1 THR A 57 10.348 16.785 24.266 1.00 73.40 H new ATOM 0 HG21 THR A 57 8.127 16.863 23.481 1.00 44.24 H new ATOM 0 HG22 THR A 57 7.863 16.706 21.728 1.00 44.24 H new ATOM 0 HG23 THR A 57 8.353 15.288 22.684 1.00 44.24 H new ATOM 937 N ARG A 58 11.636 14.080 22.052 1.00 33.24 N ATOM 938 CA ARG A 58 12.259 12.730 21.984 1.00 53.35 C ATOM 939 C ARG A 58 11.304 11.540 22.298 1.00 14.03 C ATOM 940 O ARG A 58 11.508 10.449 21.756 1.00 11.50 O ATOM 941 CB ARG A 58 13.560 12.678 22.859 1.00 42.11 C ATOM 942 CG ARG A 58 13.525 13.404 24.232 1.00 44.35 C ATOM 943 CD ARG A 58 12.530 12.816 25.252 1.00 54.55 C ATOM 944 NE ARG A 58 12.664 13.441 26.582 1.00 64.33 N ATOM 945 CZ ARG A 58 12.159 14.632 26.948 1.00 64.14 C ATOM 946 NH1 ARG A 58 11.458 15.386 26.101 1.00 41.12 N ATOM 947 NH2 ARG A 58 12.366 15.075 28.176 1.00 73.44 N ATOM 0 H ARG A 58 11.987 14.656 22.817 1.00 33.24 H new ATOM 0 HA ARG A 58 12.522 12.587 20.936 1.00 53.35 H new ATOM 0 HB2 ARG A 58 13.805 11.631 23.037 1.00 42.11 H new ATOM 0 HB3 ARG A 58 14.377 13.101 22.274 1.00 42.11 H new ATOM 0 HG2 ARG A 58 14.525 13.379 24.666 1.00 44.35 H new ATOM 0 HG3 ARG A 58 13.276 14.452 24.066 1.00 44.35 H new ATOM 0 HD2 ARG A 58 11.512 12.956 24.887 1.00 54.55 H new ATOM 0 HD3 ARG A 58 12.693 11.742 25.339 1.00 54.55 H new ATOM 0 HE ARG A 58 13.187 12.922 27.288 1.00 64.33 H new ATOM 0 HH11 ARG A 58 11.293 15.063 25.148 1.00 41.12 H new ATOM 0 HH12 ARG A 58 11.087 16.286 26.406 1.00 41.12 H new ATOM 0 HH21 ARG A 58 12.905 14.515 28.836 1.00 73.44 H new ATOM 0 HH22 ARG A 58 11.987 15.977 28.463 1.00 73.44 H new ATOM 961 N SER A 59 10.279 11.737 23.147 1.00 52.14 N ATOM 962 CA SER A 59 9.289 10.670 23.451 1.00 30.31 C ATOM 963 C SER A 59 8.323 10.492 22.265 1.00 43.52 C ATOM 964 O SER A 59 7.955 9.362 21.911 1.00 41.45 O ATOM 965 CB SER A 59 8.519 10.977 24.755 1.00 65.42 C ATOM 966 OG SER A 59 7.627 9.930 25.093 1.00 24.21 O ATOM 0 H SER A 59 10.109 12.616 23.635 1.00 52.14 H new ATOM 0 HA SER A 59 9.826 9.734 23.604 1.00 30.31 H new ATOM 0 HB2 SER A 59 9.227 11.129 25.569 1.00 65.42 H new ATOM 0 HB3 SER A 59 7.962 11.907 24.639 1.00 65.42 H new ATOM 0 HG SER A 59 7.157 10.155 25.923 1.00 24.21 H new ATOM 972 N ILE A 60 7.950 11.631 21.644 1.00 14.20 N ATOM 973 CA ILE A 60 7.147 11.657 20.407 1.00 54.22 C ATOM 974 C ILE A 60 7.924 10.968 19.283 1.00 3.41 C ATOM 975 O ILE A 60 7.378 10.132 18.577 1.00 24.22 O ATOM 976 CB ILE A 60 6.784 13.133 19.983 1.00 21.14 C ATOM 977 CG1 ILE A 60 5.939 13.817 21.098 1.00 40.44 C ATOM 978 CG2 ILE A 60 6.058 13.169 18.610 1.00 60.32 C ATOM 979 CD1 ILE A 60 5.554 15.255 20.807 1.00 30.43 C ATOM 0 H ILE A 60 8.198 12.559 21.988 1.00 14.20 H new ATOM 0 HA ILE A 60 6.214 11.126 20.594 1.00 54.22 H new ATOM 0 HB ILE A 60 7.710 13.695 19.863 1.00 21.14 H new ATOM 0 HG12 ILE A 60 5.030 13.236 21.255 1.00 40.44 H new ATOM 0 HG13 ILE A 60 6.501 13.787 22.031 1.00 40.44 H new ATOM 0 HG21 ILE A 60 5.823 14.201 18.350 1.00 60.32 H new ATOM 0 HG22 ILE A 60 6.705 12.740 17.845 1.00 60.32 H new ATOM 0 HG23 ILE A 60 5.136 12.591 18.671 1.00 60.32 H new ATOM 0 HD11 ILE A 60 4.968 15.650 21.637 1.00 30.43 H new ATOM 0 HD12 ILE A 60 6.455 15.855 20.682 1.00 30.43 H new ATOM 0 HD13 ILE A 60 4.962 15.295 19.893 1.00 30.43 H new ATOM 991 N GLN A 61 9.220 11.317 19.191 1.00 23.04 N ATOM 992 CA GLN A 61 10.170 10.772 18.210 1.00 54.13 C ATOM 993 C GLN A 61 10.270 9.244 18.334 1.00 52.42 C ATOM 994 O GLN A 61 10.268 8.544 17.336 1.00 64.43 O ATOM 995 CB GLN A 61 11.554 11.434 18.429 1.00 62.44 C ATOM 996 CG GLN A 61 12.666 10.975 17.471 1.00 4.02 C ATOM 997 CD GLN A 61 14.003 11.653 17.773 1.00 32.25 C ATOM 998 OE1 GLN A 61 14.814 11.145 18.546 1.00 75.10 O ATOM 999 NE2 GLN A 61 14.227 12.819 17.190 1.00 74.02 N ATOM 0 H GLN A 61 9.644 12.004 19.814 1.00 23.04 H new ATOM 0 HA GLN A 61 9.817 10.995 17.203 1.00 54.13 H new ATOM 0 HB2 GLN A 61 11.440 12.514 18.335 1.00 62.44 H new ATOM 0 HB3 GLN A 61 11.875 11.236 19.452 1.00 62.44 H new ATOM 0 HG2 GLN A 61 12.784 9.894 17.545 1.00 4.02 H new ATOM 0 HG3 GLN A 61 12.373 11.194 16.444 1.00 4.02 H new ATOM 0 HE21 GLN A 61 13.534 13.213 16.554 1.00 74.02 H new ATOM 0 HE22 GLN A 61 15.093 13.324 17.377 1.00 74.02 H new ATOM 1008 N ASP A 62 10.318 8.764 19.587 1.00 5.01 N ATOM 1009 CA ASP A 62 10.397 7.327 19.913 1.00 12.12 C ATOM 1010 C ASP A 62 9.149 6.577 19.391 1.00 3.14 C ATOM 1011 O ASP A 62 9.265 5.536 18.722 1.00 64.22 O ATOM 1012 CB ASP A 62 10.548 7.172 21.447 1.00 41.21 C ATOM 1013 CG ASP A 62 10.764 5.722 21.904 1.00 1.41 C ATOM 1014 OD1 ASP A 62 9.828 5.097 22.446 1.00 31.21 O ATOM 1015 OD2 ASP A 62 11.881 5.198 21.723 1.00 63.02 O ATOM 0 H ASP A 62 10.303 9.366 20.411 1.00 5.01 H new ATOM 0 HA ASP A 62 11.264 6.885 19.422 1.00 12.12 H new ATOM 0 HB2 ASP A 62 11.389 7.778 21.783 1.00 41.21 H new ATOM 0 HB3 ASP A 62 9.656 7.567 21.933 1.00 41.21 H new ATOM 1020 N MET A 63 7.959 7.156 19.662 1.00 71.00 N ATOM 1021 CA MET A 63 6.665 6.584 19.236 1.00 61.22 C ATOM 1022 C MET A 63 6.553 6.558 17.705 1.00 24.15 C ATOM 1023 O MET A 63 6.455 5.477 17.112 1.00 24.44 O ATOM 1024 CB MET A 63 5.467 7.375 19.833 1.00 42.04 C ATOM 1025 CG MET A 63 5.390 7.375 21.363 1.00 11.41 C ATOM 1026 SD MET A 63 3.881 8.154 21.986 1.00 62.31 S ATOM 1027 CE MET A 63 3.913 9.758 21.180 1.00 41.42 C ATOM 0 H MET A 63 7.869 8.030 20.180 1.00 71.00 H new ATOM 0 HA MET A 63 6.627 5.562 19.614 1.00 61.22 H new ATOM 0 HB2 MET A 63 5.524 8.407 19.487 1.00 42.04 H new ATOM 0 HB3 MET A 63 4.541 6.957 19.438 1.00 42.04 H new ATOM 0 HG2 MET A 63 5.440 6.348 21.725 1.00 11.41 H new ATOM 0 HG3 MET A 63 6.257 7.898 21.766 1.00 11.41 H new ATOM 0 HE1 MET A 63 2.942 10.240 21.291 1.00 41.42 H new ATOM 0 HE2 MET A 63 4.681 10.380 21.639 1.00 41.42 H new ATOM 0 HE3 MET A 63 4.135 9.629 20.121 1.00 41.42 H new ATOM 1037 N VAL A 64 6.594 7.760 17.078 1.00 31.53 N ATOM 1038 CA VAL A 64 6.361 7.918 15.631 1.00 2.45 C ATOM 1039 C VAL A 64 7.403 7.156 14.797 1.00 51.43 C ATOM 1040 O VAL A 64 7.023 6.515 13.834 1.00 60.22 O ATOM 1041 CB VAL A 64 6.268 9.426 15.164 1.00 55.02 C ATOM 1042 CG1 VAL A 64 5.065 10.149 15.817 1.00 41.23 C ATOM 1043 CG2 VAL A 64 7.580 10.191 15.417 1.00 2.04 C ATOM 0 H VAL A 64 6.788 8.637 17.561 1.00 31.53 H new ATOM 0 HA VAL A 64 5.381 7.476 15.450 1.00 2.45 H new ATOM 0 HB VAL A 64 6.104 9.413 14.086 1.00 55.02 H new ATOM 0 HG11 VAL A 64 5.032 11.183 15.474 1.00 41.23 H new ATOM 0 HG12 VAL A 64 4.141 9.644 15.536 1.00 41.23 H new ATOM 0 HG13 VAL A 64 5.174 10.130 16.901 1.00 41.23 H new ATOM 0 HG21 VAL A 64 7.471 11.222 15.081 1.00 2.04 H new ATOM 0 HG22 VAL A 64 7.809 10.179 16.483 1.00 2.04 H new ATOM 0 HG23 VAL A 64 8.391 9.714 14.867 1.00 2.04 H new ATOM 1053 N ALA A 65 8.695 7.183 15.207 1.00 32.12 N ATOM 1054 CA ALA A 65 9.769 6.437 14.513 1.00 74.01 C ATOM 1055 C ALA A 65 9.529 4.923 14.607 1.00 72.14 C ATOM 1056 O ALA A 65 9.851 4.185 13.675 1.00 3.50 O ATOM 1057 CB ALA A 65 11.149 6.791 15.076 1.00 55.00 C ATOM 0 H ALA A 65 9.017 7.715 16.016 1.00 32.12 H new ATOM 0 HA ALA A 65 9.747 6.730 13.463 1.00 74.01 H new ATOM 0 HB1 ALA A 65 11.915 6.226 14.544 1.00 55.00 H new ATOM 0 HB2 ALA A 65 11.331 7.858 14.948 1.00 55.00 H new ATOM 0 HB3 ALA A 65 11.184 6.541 16.136 1.00 55.00 H new ATOM 1063 N GLY A 66 8.961 4.478 15.750 1.00 33.44 N ATOM 1064 CA GLY A 66 8.498 3.097 15.895 1.00 42.22 C ATOM 1065 C GLY A 66 7.397 2.747 14.900 1.00 52.11 C ATOM 1066 O GLY A 66 7.420 1.671 14.308 1.00 13.14 O ATOM 0 H GLY A 66 8.817 5.058 16.576 1.00 33.44 H new ATOM 0 HA2 GLY A 66 9.339 2.418 15.756 1.00 42.22 H new ATOM 0 HA3 GLY A 66 8.129 2.945 16.909 1.00 42.22 H new ATOM 1070 N TYR A 67 6.450 3.688 14.699 1.00 65.00 N ATOM 1071 CA TYR A 67 5.315 3.509 13.773 1.00 43.13 C ATOM 1072 C TYR A 67 5.774 3.531 12.302 1.00 40.22 C ATOM 1073 O TYR A 67 5.193 2.833 11.460 1.00 33.45 O ATOM 1074 CB TYR A 67 4.240 4.599 13.999 1.00 15.15 C ATOM 1075 CG TYR A 67 3.629 4.629 15.414 1.00 50.00 C ATOM 1076 CD1 TYR A 67 3.469 5.830 16.109 1.00 3.43 C ATOM 1077 CD2 TYR A 67 3.207 3.459 16.054 1.00 32.31 C ATOM 1078 CE1 TYR A 67 2.926 5.864 17.371 1.00 50.11 C ATOM 1079 CE2 TYR A 67 2.659 3.492 17.322 1.00 12.21 C ATOM 1080 CZ TYR A 67 2.521 4.695 17.977 1.00 1.43 C ATOM 1081 OH TYR A 67 1.978 4.726 19.243 1.00 50.51 O ATOM 0 H TYR A 67 6.452 4.591 15.174 1.00 65.00 H new ATOM 0 HA TYR A 67 4.882 2.531 13.984 1.00 43.13 H new ATOM 0 HB2 TYR A 67 4.682 5.573 13.790 1.00 15.15 H new ATOM 0 HB3 TYR A 67 3.437 4.452 13.276 1.00 15.15 H new ATOM 0 HD1 TYR A 67 3.779 6.754 15.644 1.00 3.43 H new ATOM 0 HD2 TYR A 67 3.312 2.511 15.547 1.00 32.31 H new ATOM 0 HE1 TYR A 67 2.817 6.806 17.887 1.00 50.11 H new ATOM 0 HE2 TYR A 67 2.340 2.577 17.798 1.00 12.21 H new ATOM 0 HH TYR A 67 1.745 3.816 19.521 1.00 50.51 H new ATOM 1091 N ILE A 68 6.818 4.347 12.008 1.00 41.30 N ATOM 1092 CA ILE A 68 7.414 4.420 10.661 1.00 64.32 C ATOM 1093 C ILE A 68 8.139 3.098 10.375 1.00 1.33 C ATOM 1094 O ILE A 68 8.002 2.535 9.307 1.00 30.42 O ATOM 1095 CB ILE A 68 8.431 5.617 10.463 1.00 1.00 C ATOM 1096 CG1 ILE A 68 7.822 6.980 10.907 1.00 1.21 C ATOM 1097 CG2 ILE A 68 8.872 5.703 8.977 1.00 2.40 C ATOM 1098 CD1 ILE A 68 8.785 8.162 10.878 1.00 64.32 C ATOM 0 H ILE A 68 7.261 4.962 12.691 1.00 41.30 H new ATOM 0 HA ILE A 68 6.594 4.599 9.966 1.00 64.32 H new ATOM 0 HB ILE A 68 9.296 5.416 11.095 1.00 1.00 H new ATOM 0 HG12 ILE A 68 6.973 7.208 10.262 1.00 1.21 H new ATOM 0 HG13 ILE A 68 7.433 6.873 11.920 1.00 1.21 H new ATOM 0 HG21 ILE A 68 9.571 6.530 8.852 1.00 2.40 H new ATOM 0 HG22 ILE A 68 9.357 4.771 8.687 1.00 2.40 H new ATOM 0 HG23 ILE A 68 7.998 5.869 8.347 1.00 2.40 H new ATOM 0 HD11 ILE A 68 8.265 9.063 11.204 1.00 64.32 H new ATOM 0 HD12 ILE A 68 9.623 7.965 11.546 1.00 64.32 H new ATOM 0 HD13 ILE A 68 9.156 8.304 9.863 1.00 64.32 H new ATOM 1110 N LYS A 69 8.880 2.600 11.380 1.00 61.22 N ATOM 1111 CA LYS A 69 9.619 1.325 11.292 1.00 12.45 C ATOM 1112 C LYS A 69 8.649 0.151 11.001 1.00 61.23 C ATOM 1113 O LYS A 69 8.942 -0.711 10.155 1.00 4.20 O ATOM 1114 CB LYS A 69 10.410 1.094 12.603 1.00 50.02 C ATOM 1115 CG LYS A 69 11.239 -0.213 12.652 1.00 20.50 C ATOM 1116 CD LYS A 69 12.038 -0.377 13.969 1.00 74.32 C ATOM 1117 CE LYS A 69 11.154 -0.302 15.233 1.00 12.01 C ATOM 1118 NZ LYS A 69 10.075 -1.325 15.247 1.00 42.32 N ATOM 0 H LYS A 69 8.985 3.070 12.279 1.00 61.22 H new ATOM 0 HA LYS A 69 10.327 1.374 10.465 1.00 12.45 H new ATOM 0 HB2 LYS A 69 11.083 1.938 12.756 1.00 50.02 H new ATOM 0 HB3 LYS A 69 9.708 1.091 13.436 1.00 50.02 H new ATOM 0 HG2 LYS A 69 10.570 -1.065 12.531 1.00 20.50 H new ATOM 0 HG3 LYS A 69 11.931 -0.229 11.810 1.00 20.50 H new ATOM 0 HD2 LYS A 69 12.558 -1.335 13.954 1.00 74.32 H new ATOM 0 HD3 LYS A 69 12.802 0.399 14.022 1.00 74.32 H new ATOM 0 HE2 LYS A 69 11.780 -0.430 16.116 1.00 12.01 H new ATOM 0 HE3 LYS A 69 10.708 0.690 15.300 1.00 12.01 H new ATOM 0 HZ1 LYS A 69 9.525 -1.238 16.126 1.00 42.32 H new ATOM 0 HZ2 LYS A 69 9.448 -1.179 14.430 1.00 42.32 H new ATOM 0 HZ3 LYS A 69 10.496 -2.274 15.195 1.00 42.32 H new ATOM 1132 N GLN A 70 7.478 0.166 11.684 1.00 14.31 N ATOM 1133 CA GLN A 70 6.414 -0.833 11.478 1.00 53.44 C ATOM 1134 C GLN A 70 5.887 -0.771 10.038 1.00 4.30 C ATOM 1135 O GLN A 70 5.907 -1.776 9.325 1.00 3.35 O ATOM 1136 CB GLN A 70 5.230 -0.626 12.462 1.00 2.12 C ATOM 1137 CG GLN A 70 5.536 -0.917 13.948 1.00 11.31 C ATOM 1138 CD GLN A 70 4.282 -0.919 14.841 1.00 64.21 C ATOM 1139 OE1 GLN A 70 3.155 -1.393 14.313 1.00 41.05 O flip ATOM 1140 NE2 GLN A 70 4.332 -0.528 16.011 1.00 54.44 N flip ATOM 0 H GLN A 70 7.251 0.869 12.388 1.00 14.31 H new ATOM 0 HA GLN A 70 6.855 -1.812 11.668 1.00 53.44 H new ATOM 0 HB2 GLN A 70 4.886 0.405 12.376 1.00 2.12 H new ATOM 0 HB3 GLN A 70 4.405 -1.265 12.148 1.00 2.12 H new ATOM 0 HG2 GLN A 70 6.031 -1.885 14.027 1.00 11.31 H new ATOM 0 HG3 GLN A 70 6.237 -0.170 14.320 1.00 11.31 H new ATOM 0 HE21 GLN A 70 5.208 -0.169 16.392 1.00 54.44 H new ATOM 0 HE22 GLN A 70 3.498 -0.564 16.597 1.00 54.44 H new ATOM 1149 N THR A 71 5.466 0.441 9.616 1.00 31.41 N ATOM 1150 CA THR A 71 4.806 0.634 8.325 1.00 51.13 C ATOM 1151 C THR A 71 5.769 0.312 7.163 1.00 34.03 C ATOM 1152 O THR A 71 5.353 -0.293 6.203 1.00 42.13 O ATOM 1153 CB THR A 71 4.183 2.072 8.181 1.00 40.04 C ATOM 1154 OG1 THR A 71 3.236 2.103 7.109 1.00 1.14 O ATOM 1155 CG2 THR A 71 5.215 3.176 7.932 1.00 24.13 C ATOM 0 H THR A 71 5.576 1.297 10.159 1.00 31.41 H new ATOM 0 HA THR A 71 3.974 -0.068 8.278 1.00 51.13 H new ATOM 0 HB THR A 71 3.706 2.272 9.140 1.00 40.04 H new ATOM 0 HG1 THR A 71 3.097 3.030 6.822 1.00 1.14 H new ATOM 0 HG21 THR A 71 4.707 4.136 7.844 1.00 24.13 H new ATOM 0 HG22 THR A 71 5.917 3.212 8.765 1.00 24.13 H new ATOM 0 HG23 THR A 71 5.756 2.967 7.009 1.00 24.13 H new ATOM 1163 N LEU A 72 7.073 0.657 7.323 1.00 72.21 N ATOM 1164 CA LEU A 72 8.129 0.366 6.323 1.00 33.53 C ATOM 1165 C LEU A 72 8.286 -1.145 6.118 1.00 42.42 C ATOM 1166 O LEU A 72 8.376 -1.618 4.984 1.00 25.42 O ATOM 1167 CB LEU A 72 9.499 0.968 6.762 1.00 21.14 C ATOM 1168 CG LEU A 72 9.624 2.519 6.710 1.00 20.03 C ATOM 1169 CD1 LEU A 72 10.963 2.994 7.322 1.00 53.23 C ATOM 1170 CD2 LEU A 72 9.442 3.035 5.271 1.00 52.52 C ATOM 0 H LEU A 72 7.420 1.144 8.149 1.00 72.21 H new ATOM 0 HA LEU A 72 7.822 0.827 5.384 1.00 33.53 H new ATOM 0 HB2 LEU A 72 9.703 0.643 7.782 1.00 21.14 H new ATOM 0 HB3 LEU A 72 10.278 0.541 6.130 1.00 21.14 H new ATOM 0 HG LEU A 72 8.824 2.944 7.316 1.00 20.03 H new ATOM 0 HD11 LEU A 72 11.021 4.081 7.271 1.00 53.23 H new ATOM 0 HD12 LEU A 72 11.020 2.676 8.363 1.00 53.23 H new ATOM 0 HD13 LEU A 72 11.792 2.560 6.764 1.00 53.23 H new ATOM 0 HD21 LEU A 72 9.533 4.121 5.260 1.00 52.52 H new ATOM 0 HD22 LEU A 72 10.208 2.600 4.629 1.00 52.52 H new ATOM 0 HD23 LEU A 72 8.456 2.750 4.904 1.00 52.52 H new ATOM 1182 N ASP A 73 8.322 -1.877 7.249 1.00 1.44 N ATOM 1183 CA ASP A 73 8.483 -3.338 7.267 1.00 10.12 C ATOM 1184 C ASP A 73 7.308 -4.028 6.554 1.00 74.24 C ATOM 1185 O ASP A 73 7.505 -4.823 5.631 1.00 24.43 O ATOM 1186 CB ASP A 73 8.589 -3.840 8.730 1.00 74.22 C ATOM 1187 CG ASP A 73 8.880 -5.347 8.815 1.00 11.22 C ATOM 1188 OD1 ASP A 73 10.069 -5.736 8.727 1.00 32.10 O ATOM 1189 OD2 ASP A 73 7.933 -6.151 8.973 1.00 44.11 O ATOM 0 H ASP A 73 8.239 -1.466 8.179 1.00 1.44 H new ATOM 0 HA ASP A 73 9.400 -3.590 6.734 1.00 10.12 H new ATOM 0 HB2 ASP A 73 9.379 -3.291 9.243 1.00 74.22 H new ATOM 0 HB3 ASP A 73 7.658 -3.623 9.254 1.00 74.22 H new ATOM 1194 N ASN A 74 6.087 -3.667 6.985 1.00 62.54 N ATOM 1195 CA ASN A 74 4.843 -4.281 6.502 1.00 61.34 C ATOM 1196 C ASN A 74 4.586 -3.951 5.021 1.00 65.44 C ATOM 1197 O ASN A 74 4.131 -4.804 4.260 1.00 54.34 O ATOM 1198 CB ASN A 74 3.643 -3.808 7.364 1.00 61.43 C ATOM 1199 CG ASN A 74 3.796 -4.047 8.878 1.00 41.00 C ATOM 1200 OD1 ASN A 74 3.252 -3.293 9.682 1.00 12.13 O ATOM 1201 ND2 ASN A 74 4.530 -5.077 9.292 1.00 14.23 N ATOM 0 H ASN A 74 5.937 -2.937 7.682 1.00 62.54 H new ATOM 0 HA ASN A 74 4.951 -5.362 6.592 1.00 61.34 H new ATOM 0 HB2 ASN A 74 3.490 -2.742 7.193 1.00 61.43 H new ATOM 0 HB3 ASN A 74 2.744 -4.319 7.020 1.00 61.43 H new ATOM 0 HD21 ASN A 74 4.648 -5.251 10.290 1.00 14.23 H new ATOM 0 HD22 ASN A 74 4.974 -5.693 8.611 1.00 14.23 H new ATOM 1208 N GLU A 75 4.908 -2.708 4.641 1.00 61.00 N ATOM 1209 CA GLU A 75 4.695 -2.170 3.283 1.00 44.45 C ATOM 1210 C GLU A 75 5.752 -2.708 2.296 1.00 73.33 C ATOM 1211 O GLU A 75 5.500 -2.807 1.095 1.00 73.21 O ATOM 1212 CB GLU A 75 4.684 -0.625 3.384 1.00 31.32 C ATOM 1213 CG GLU A 75 4.377 0.162 2.114 1.00 62.11 C ATOM 1214 CD GLU A 75 4.094 1.652 2.400 1.00 32.04 C ATOM 1215 OE1 GLU A 75 2.919 2.082 2.284 1.00 74.42 O ATOM 1216 OE2 GLU A 75 5.025 2.385 2.783 1.00 35.11 O ATOM 0 H GLU A 75 5.332 -2.033 5.277 1.00 61.00 H new ATOM 0 HA GLU A 75 3.738 -2.501 2.881 1.00 44.45 H new ATOM 0 HB2 GLU A 75 3.951 -0.343 4.140 1.00 31.32 H new ATOM 0 HB3 GLU A 75 5.659 -0.305 3.750 1.00 31.32 H new ATOM 0 HG2 GLU A 75 5.219 0.080 1.427 1.00 62.11 H new ATOM 0 HG3 GLU A 75 3.514 -0.280 1.615 1.00 62.11 H new ATOM 1223 N GLN A 76 6.925 -3.091 2.839 1.00 74.21 N ATOM 1224 CA GLN A 76 7.961 -3.833 2.092 1.00 25.21 C ATOM 1225 C GLN A 76 7.458 -5.257 1.776 1.00 21.45 C ATOM 1226 O GLN A 76 7.655 -5.780 0.670 1.00 60.13 O ATOM 1227 CB GLN A 76 9.267 -3.897 2.925 1.00 72.21 C ATOM 1228 CG GLN A 76 10.419 -4.697 2.281 1.00 75.11 C ATOM 1229 CD GLN A 76 11.678 -4.806 3.151 1.00 70.14 C ATOM 1230 OE1 GLN A 76 11.515 -4.879 4.467 1.00 4.45 O flip ATOM 1231 NE2 GLN A 76 12.795 -4.865 2.635 1.00 12.02 N flip ATOM 0 H GLN A 76 7.181 -2.895 3.807 1.00 74.21 H new ATOM 0 HA GLN A 76 8.168 -3.317 1.155 1.00 25.21 H new ATOM 0 HB2 GLN A 76 9.611 -2.879 3.110 1.00 72.21 H new ATOM 0 HB3 GLN A 76 9.039 -4.337 3.896 1.00 72.21 H new ATOM 0 HG2 GLN A 76 10.063 -5.701 2.050 1.00 75.11 H new ATOM 0 HG3 GLN A 76 10.686 -4.228 1.334 1.00 75.11 H new ATOM 0 HE21 GLN A 76 12.892 -4.806 1.621 1.00 12.02 H new ATOM 0 HE22 GLN A 76 13.623 -4.972 3.221 1.00 12.02 H new ATOM 1240 N LEU A 77 6.794 -5.871 2.772 1.00 62.14 N ATOM 1241 CA LEU A 77 6.189 -7.202 2.623 1.00 22.11 C ATOM 1242 C LEU A 77 5.000 -7.155 1.634 1.00 74.51 C ATOM 1243 O LEU A 77 4.783 -8.110 0.898 1.00 72.10 O ATOM 1244 CB LEU A 77 5.754 -7.767 4.003 1.00 74.15 C ATOM 1245 CG LEU A 77 6.890 -7.956 5.061 1.00 43.24 C ATOM 1246 CD1 LEU A 77 6.347 -8.568 6.370 1.00 25.21 C ATOM 1247 CD2 LEU A 77 8.054 -8.790 4.495 1.00 74.45 C ATOM 0 H LEU A 77 6.664 -5.460 3.696 1.00 62.14 H new ATOM 0 HA LEU A 77 6.939 -7.876 2.210 1.00 22.11 H new ATOM 0 HB2 LEU A 77 5.001 -7.101 4.424 1.00 74.15 H new ATOM 0 HB3 LEU A 77 5.272 -8.731 3.842 1.00 74.15 H new ATOM 0 HG LEU A 77 7.280 -6.966 5.299 1.00 43.24 H new ATOM 0 HD11 LEU A 77 7.163 -8.685 7.083 1.00 25.21 H new ATOM 0 HD12 LEU A 77 5.588 -7.909 6.792 1.00 25.21 H new ATOM 0 HD13 LEU A 77 5.905 -9.542 6.160 1.00 25.21 H new ATOM 0 HD21 LEU A 77 8.826 -8.902 5.257 1.00 74.45 H new ATOM 0 HD22 LEU A 77 7.688 -9.774 4.202 1.00 74.45 H new ATOM 0 HD23 LEU A 77 8.474 -8.285 3.625 1.00 74.45 H new ATOM 1259 N LEU A 78 4.260 -6.020 1.618 1.00 43.11 N ATOM 1260 CA LEU A 78 3.184 -5.769 0.624 1.00 1.14 C ATOM 1261 C LEU A 78 3.775 -5.689 -0.792 1.00 73.22 C ATOM 1262 O LEU A 78 3.239 -6.267 -1.718 1.00 42.25 O ATOM 1263 CB LEU A 78 2.434 -4.440 0.922 1.00 71.45 C ATOM 1264 CG LEU A 78 1.633 -4.363 2.249 1.00 31.41 C ATOM 1265 CD1 LEU A 78 1.102 -2.928 2.471 1.00 42.02 C ATOM 1266 CD2 LEU A 78 0.492 -5.405 2.279 1.00 53.20 C ATOM 0 H LEU A 78 4.389 -5.259 2.285 1.00 43.11 H new ATOM 0 HA LEU A 78 2.480 -6.598 0.693 1.00 1.14 H new ATOM 0 HB2 LEU A 78 3.165 -3.631 0.921 1.00 71.45 H new ATOM 0 HB3 LEU A 78 1.745 -4.248 0.099 1.00 71.45 H new ATOM 0 HG LEU A 78 2.305 -4.606 3.072 1.00 31.41 H new ATOM 0 HD11 LEU A 78 0.542 -2.888 3.405 1.00 42.02 H new ATOM 0 HD12 LEU A 78 1.941 -2.233 2.520 1.00 42.02 H new ATOM 0 HD13 LEU A 78 0.449 -2.650 1.644 1.00 42.02 H new ATOM 0 HD21 LEU A 78 -0.049 -5.325 3.222 1.00 53.20 H new ATOM 0 HD22 LEU A 78 -0.192 -5.220 1.451 1.00 53.20 H new ATOM 0 HD23 LEU A 78 0.912 -6.407 2.186 1.00 53.20 H new ATOM 1278 N LYS A 79 4.891 -4.948 -0.914 1.00 41.04 N ATOM 1279 CA LYS A 79 5.625 -4.751 -2.179 1.00 71.21 C ATOM 1280 C LYS A 79 5.913 -6.109 -2.870 1.00 2.40 C ATOM 1281 O LYS A 79 5.505 -6.327 -4.019 1.00 4.31 O ATOM 1282 CB LYS A 79 6.935 -3.974 -1.864 1.00 74.03 C ATOM 1283 CG LYS A 79 7.890 -3.738 -3.050 1.00 42.25 C ATOM 1284 CD LYS A 79 9.182 -3.001 -2.617 1.00 3.11 C ATOM 1285 CE LYS A 79 10.204 -2.864 -3.759 1.00 44.14 C ATOM 1286 NZ LYS A 79 9.665 -2.085 -4.902 1.00 72.14 N ATOM 0 H LYS A 79 5.316 -4.461 -0.125 1.00 41.04 H new ATOM 0 HA LYS A 79 5.022 -4.171 -2.877 1.00 71.21 H new ATOM 0 HB2 LYS A 79 6.666 -3.005 -1.444 1.00 74.03 H new ATOM 0 HB3 LYS A 79 7.478 -4.517 -1.090 1.00 74.03 H new ATOM 0 HG2 LYS A 79 8.152 -4.695 -3.500 1.00 42.25 H new ATOM 0 HG3 LYS A 79 7.379 -3.155 -3.816 1.00 42.25 H new ATOM 0 HD2 LYS A 79 8.922 -2.009 -2.248 1.00 3.11 H new ATOM 0 HD3 LYS A 79 9.641 -3.540 -1.788 1.00 3.11 H new ATOM 0 HE2 LYS A 79 11.104 -2.378 -3.383 1.00 44.14 H new ATOM 0 HE3 LYS A 79 10.497 -3.856 -4.103 1.00 44.14 H new ATOM 0 HZ1 LYS A 79 10.393 -2.004 -5.641 1.00 72.14 H new ATOM 0 HZ2 LYS A 79 8.831 -2.570 -5.290 1.00 72.14 H new ATOM 0 HZ3 LYS A 79 9.393 -1.135 -4.577 1.00 72.14 H new ATOM 1300 N GLY A 80 6.552 -7.033 -2.122 1.00 20.22 N ATOM 1301 CA GLY A 80 6.879 -8.371 -2.644 1.00 32.01 C ATOM 1302 C GLY A 80 5.652 -9.266 -2.878 1.00 41.04 C ATOM 1303 O GLY A 80 5.533 -9.898 -3.941 1.00 43.10 O ATOM 0 H GLY A 80 6.849 -6.875 -1.159 1.00 20.22 H new ATOM 0 HA2 GLY A 80 7.421 -8.261 -3.584 1.00 32.01 H new ATOM 0 HA3 GLY A 80 7.551 -8.869 -1.945 1.00 32.01 H new ATOM 1307 N LEU A 81 4.737 -9.296 -1.886 1.00 23.11 N ATOM 1308 CA LEU A 81 3.526 -10.156 -1.893 1.00 53.30 C ATOM 1309 C LEU A 81 2.638 -9.813 -3.105 1.00 13.22 C ATOM 1310 O LEU A 81 2.335 -10.687 -3.933 1.00 61.41 O ATOM 1311 CB LEU A 81 2.768 -9.970 -0.532 1.00 23.12 C ATOM 1312 CG LEU A 81 1.558 -10.923 -0.173 1.00 31.03 C ATOM 1313 CD1 LEU A 81 1.246 -10.855 1.341 1.00 61.35 C ATOM 1314 CD2 LEU A 81 0.268 -10.593 -0.967 1.00 72.34 C ATOM 0 H LEU A 81 4.815 -8.720 -1.048 1.00 23.11 H new ATOM 0 HA LEU A 81 3.804 -11.205 -1.991 1.00 53.30 H new ATOM 0 HB2 LEU A 81 3.504 -10.064 0.266 1.00 23.12 H new ATOM 0 HB3 LEU A 81 2.396 -8.946 -0.504 1.00 23.12 H new ATOM 0 HG LEU A 81 1.872 -11.928 -0.453 1.00 31.03 H new ATOM 0 HD11 LEU A 81 0.411 -11.517 1.570 1.00 61.35 H new ATOM 0 HD12 LEU A 81 2.123 -11.168 1.908 1.00 61.35 H new ATOM 0 HD13 LEU A 81 0.984 -9.833 1.613 1.00 61.35 H new ATOM 0 HD21 LEU A 81 -0.525 -11.282 -0.676 1.00 72.34 H new ATOM 0 HD22 LEU A 81 -0.041 -9.571 -0.750 1.00 72.34 H new ATOM 0 HD23 LEU A 81 0.462 -10.694 -2.035 1.00 72.34 H new ATOM 1326 N LEU A 82 2.258 -8.525 -3.193 1.00 33.30 N ATOM 1327 CA LEU A 82 1.385 -8.012 -4.254 1.00 13.51 C ATOM 1328 C LEU A 82 2.061 -8.133 -5.630 1.00 12.32 C ATOM 1329 O LEU A 82 1.371 -8.336 -6.606 1.00 44.35 O ATOM 1330 CB LEU A 82 0.946 -6.541 -3.974 1.00 32.33 C ATOM 1331 CG LEU A 82 0.233 -6.273 -2.603 1.00 23.23 C ATOM 1332 CD1 LEU A 82 -0.210 -4.798 -2.475 1.00 52.53 C ATOM 1333 CD2 LEU A 82 -0.946 -7.238 -2.373 1.00 43.21 C ATOM 0 H LEU A 82 2.551 -7.812 -2.526 1.00 33.30 H new ATOM 0 HA LEU A 82 0.485 -8.626 -4.264 1.00 13.51 H new ATOM 0 HB2 LEU A 82 1.829 -5.905 -4.029 1.00 32.33 H new ATOM 0 HB3 LEU A 82 0.276 -6.227 -4.774 1.00 32.33 H new ATOM 0 HG LEU A 82 0.964 -6.465 -1.817 1.00 23.23 H new ATOM 0 HD11 LEU A 82 -0.700 -4.648 -1.513 1.00 52.53 H new ATOM 0 HD12 LEU A 82 0.663 -4.149 -2.543 1.00 52.53 H new ATOM 0 HD13 LEU A 82 -0.905 -4.556 -3.279 1.00 52.53 H new ATOM 0 HD21 LEU A 82 -1.413 -7.019 -1.413 1.00 43.21 H new ATOM 0 HD22 LEU A 82 -1.679 -7.113 -3.170 1.00 43.21 H new ATOM 0 HD23 LEU A 82 -0.581 -8.265 -2.374 1.00 43.21 H new ATOM 1345 N GLN A 83 3.415 -8.015 -5.694 1.00 63.44 N ATOM 1346 CA GLN A 83 4.183 -8.213 -6.954 1.00 74.41 C ATOM 1347 C GLN A 83 3.923 -9.604 -7.556 1.00 10.24 C ATOM 1348 O GLN A 83 3.653 -9.734 -8.763 1.00 24.20 O ATOM 1349 CB GLN A 83 5.700 -8.014 -6.704 1.00 3.44 C ATOM 1350 CG GLN A 83 6.599 -8.212 -7.944 1.00 54.13 C ATOM 1351 CD GLN A 83 8.100 -8.102 -7.655 1.00 52.21 C ATOM 1352 OE1 GLN A 83 8.535 -8.518 -6.465 1.00 74.41 O flip ATOM 1353 NE2 GLN A 83 8.872 -7.669 -8.511 1.00 11.21 N flip ATOM 0 H GLN A 83 3.996 -7.784 -4.888 1.00 63.44 H new ATOM 0 HA GLN A 83 3.842 -7.465 -7.670 1.00 74.41 H new ATOM 0 HB2 GLN A 83 5.860 -7.008 -6.315 1.00 3.44 H new ATOM 0 HB3 GLN A 83 6.019 -8.710 -5.928 1.00 3.44 H new ATOM 0 HG2 GLN A 83 6.394 -9.192 -8.375 1.00 54.13 H new ATOM 0 HG3 GLN A 83 6.330 -7.471 -8.696 1.00 54.13 H new ATOM 0 HE21 GLN A 83 8.511 -7.358 -9.413 1.00 11.21 H new ATOM 0 HE22 GLN A 83 9.873 -7.622 -8.318 1.00 11.21 H new ATOM 1362 N GLN A 84 3.990 -10.629 -6.684 1.00 22.54 N ATOM 1363 CA GLN A 84 3.721 -12.028 -7.062 1.00 33.24 C ATOM 1364 C GLN A 84 2.277 -12.180 -7.572 1.00 11.22 C ATOM 1365 O GLN A 84 2.046 -12.772 -8.633 1.00 60.42 O ATOM 1366 CB GLN A 84 3.972 -12.959 -5.854 1.00 60.43 C ATOM 1367 CG GLN A 84 5.411 -12.900 -5.307 1.00 14.44 C ATOM 1368 CD GLN A 84 5.661 -13.785 -4.082 1.00 33.21 C ATOM 1369 OE1 GLN A 84 6.461 -13.438 -3.213 1.00 51.12 O ATOM 1370 NE2 GLN A 84 5.024 -14.950 -4.016 1.00 55.42 N ATOM 0 H GLN A 84 4.232 -10.510 -5.700 1.00 22.54 H new ATOM 0 HA GLN A 84 4.398 -12.311 -7.868 1.00 33.24 H new ATOM 0 HB2 GLN A 84 3.279 -12.695 -5.055 1.00 60.43 H new ATOM 0 HB3 GLN A 84 3.747 -13.985 -6.146 1.00 60.43 H new ATOM 0 HG2 GLN A 84 6.100 -13.194 -6.099 1.00 14.44 H new ATOM 0 HG3 GLN A 84 5.646 -11.868 -5.048 1.00 14.44 H new ATOM 0 HE21 GLN A 84 4.366 -15.214 -4.749 1.00 55.42 H new ATOM 0 HE22 GLN A 84 5.193 -15.580 -3.232 1.00 55.42 H new ATOM 1379 N ARG A 85 1.329 -11.574 -6.822 1.00 62.23 N ATOM 1380 CA ARG A 85 -0.109 -11.601 -7.155 1.00 3.40 C ATOM 1381 C ARG A 85 -0.366 -10.994 -8.542 1.00 75.15 C ATOM 1382 O ARG A 85 -0.975 -11.629 -9.385 1.00 10.32 O ATOM 1383 CB ARG A 85 -0.941 -10.842 -6.085 1.00 33.42 C ATOM 1384 CG ARG A 85 -0.795 -11.357 -4.637 1.00 41.31 C ATOM 1385 CD ARG A 85 -1.321 -12.792 -4.416 1.00 31.32 C ATOM 1386 NE ARG A 85 -0.466 -13.840 -4.995 1.00 73.44 N ATOM 1387 CZ ARG A 85 0.307 -14.686 -4.297 1.00 52.14 C ATOM 1388 NH1 ARG A 85 0.364 -14.633 -2.970 1.00 53.10 N ATOM 1389 NH2 ARG A 85 0.996 -15.612 -4.938 1.00 72.41 N ATOM 0 H ARG A 85 1.541 -11.054 -5.971 1.00 62.23 H new ATOM 0 HA ARG A 85 -0.423 -12.645 -7.168 1.00 3.40 H new ATOM 0 HB2 ARG A 85 -0.656 -9.790 -6.108 1.00 33.42 H new ATOM 0 HB3 ARG A 85 -1.993 -10.893 -6.365 1.00 33.42 H new ATOM 0 HG2 ARG A 85 0.257 -11.321 -4.356 1.00 41.31 H new ATOM 0 HG3 ARG A 85 -1.327 -10.681 -3.968 1.00 41.31 H new ATOM 0 HD2 ARG A 85 -1.421 -12.970 -3.345 1.00 31.32 H new ATOM 0 HD3 ARG A 85 -2.319 -12.872 -4.847 1.00 31.32 H new ATOM 0 HE ARG A 85 -0.460 -13.931 -6.011 1.00 73.44 H new ATOM 0 HH11 ARG A 85 -0.186 -13.940 -2.463 1.00 53.10 H new ATOM 0 HH12 ARG A 85 0.958 -15.286 -2.459 1.00 53.10 H new ATOM 0 HH21 ARG A 85 0.938 -15.679 -5.954 1.00 72.41 H new ATOM 0 HH22 ARG A 85 1.587 -16.260 -4.417 1.00 72.41 H new ATOM 1403 N LEU A 86 0.170 -9.779 -8.758 1.00 30.43 N ATOM 1404 CA LEU A 86 -0.040 -8.979 -9.985 1.00 74.32 C ATOM 1405 C LEU A 86 0.563 -9.647 -11.222 1.00 14.25 C ATOM 1406 O LEU A 86 0.063 -9.453 -12.335 1.00 11.11 O ATOM 1407 CB LEU A 86 0.564 -7.559 -9.804 1.00 32.24 C ATOM 1408 CG LEU A 86 -0.126 -6.672 -8.728 1.00 64.22 C ATOM 1409 CD1 LEU A 86 0.617 -5.337 -8.524 1.00 44.40 C ATOM 1410 CD2 LEU A 86 -1.602 -6.445 -9.075 1.00 10.40 C ATOM 0 H LEU A 86 0.771 -9.316 -8.076 1.00 30.43 H new ATOM 0 HA LEU A 86 -1.116 -8.905 -10.144 1.00 74.32 H new ATOM 0 HB2 LEU A 86 1.618 -7.661 -9.545 1.00 32.24 H new ATOM 0 HB3 LEU A 86 0.520 -7.039 -10.761 1.00 32.24 H new ATOM 0 HG LEU A 86 -0.081 -7.208 -7.780 1.00 64.22 H new ATOM 0 HD11 LEU A 86 0.103 -4.747 -7.765 1.00 44.40 H new ATOM 0 HD12 LEU A 86 1.639 -5.535 -8.200 1.00 44.40 H new ATOM 0 HD13 LEU A 86 0.635 -4.784 -9.463 1.00 44.40 H new ATOM 0 HD21 LEU A 86 -2.064 -5.822 -8.309 1.00 10.40 H new ATOM 0 HD22 LEU A 86 -1.676 -5.946 -10.041 1.00 10.40 H new ATOM 0 HD23 LEU A 86 -2.117 -7.405 -9.122 1.00 10.40 H new ATOM 1422 N ASP A 87 1.649 -10.410 -11.016 1.00 21.12 N ATOM 1423 CA ASP A 87 2.303 -11.174 -12.089 1.00 54.31 C ATOM 1424 C ASP A 87 1.366 -12.300 -12.565 1.00 1.33 C ATOM 1425 O ASP A 87 1.159 -12.483 -13.769 1.00 64.35 O ATOM 1426 CB ASP A 87 3.661 -11.749 -11.607 1.00 34.12 C ATOM 1427 CG ASP A 87 4.514 -12.288 -12.776 1.00 64.43 C ATOM 1428 OD1 ASP A 87 5.249 -11.488 -13.404 1.00 3.30 O ATOM 1429 OD2 ASP A 87 4.444 -13.495 -13.087 1.00 10.34 O ATOM 0 H ASP A 87 2.096 -10.514 -10.105 1.00 21.12 H new ATOM 0 HA ASP A 87 2.507 -10.507 -12.927 1.00 54.31 H new ATOM 0 HB2 ASP A 87 4.217 -10.972 -11.082 1.00 34.12 H new ATOM 0 HB3 ASP A 87 3.481 -12.551 -10.891 1.00 34.12 H new ATOM 1434 N GLU A 88 0.768 -13.003 -11.581 1.00 40.34 N ATOM 1435 CA GLU A 88 -0.195 -14.096 -11.822 1.00 20.14 C ATOM 1436 C GLU A 88 -1.489 -13.567 -12.469 1.00 50.10 C ATOM 1437 O GLU A 88 -1.979 -14.148 -13.438 1.00 72.22 O ATOM 1438 CB GLU A 88 -0.510 -14.809 -10.487 1.00 1.31 C ATOM 1439 CG GLU A 88 0.730 -15.427 -9.809 1.00 52.14 C ATOM 1440 CD GLU A 88 0.457 -15.944 -8.392 1.00 4.02 C ATOM 1441 OE1 GLU A 88 0.803 -17.106 -8.068 1.00 22.34 O ATOM 1442 OE2 GLU A 88 -0.091 -15.176 -7.586 1.00 52.32 O ATOM 0 H GLU A 88 0.941 -12.827 -10.591 1.00 40.34 H new ATOM 0 HA GLU A 88 0.253 -14.808 -12.516 1.00 20.14 H new ATOM 0 HB2 GLU A 88 -0.970 -14.095 -9.803 1.00 1.31 H new ATOM 0 HB3 GLU A 88 -1.244 -15.594 -10.669 1.00 1.31 H new ATOM 0 HG2 GLU A 88 1.098 -16.249 -10.423 1.00 52.14 H new ATOM 0 HG3 GLU A 88 1.523 -14.680 -9.768 1.00 52.14 H new ATOM 1449 N LEU A 89 -2.002 -12.430 -11.937 1.00 63.24 N ATOM 1450 CA LEU A 89 -3.244 -11.789 -12.414 1.00 43.34 C ATOM 1451 C LEU A 89 -3.092 -11.366 -13.882 1.00 3.35 C ATOM 1452 O LEU A 89 -3.910 -11.741 -14.714 1.00 32.02 O ATOM 1453 CB LEU A 89 -3.623 -10.558 -11.532 1.00 71.43 C ATOM 1454 CG LEU A 89 -3.941 -10.854 -10.029 1.00 43.33 C ATOM 1455 CD1 LEU A 89 -4.192 -9.552 -9.246 1.00 21.44 C ATOM 1456 CD2 LEU A 89 -5.126 -11.833 -9.878 1.00 33.41 C ATOM 0 H LEU A 89 -1.561 -11.933 -11.163 1.00 63.24 H new ATOM 0 HA LEU A 89 -4.051 -12.518 -12.335 1.00 43.34 H new ATOM 0 HB2 LEU A 89 -2.802 -9.842 -11.573 1.00 71.43 H new ATOM 0 HB3 LEU A 89 -4.492 -10.073 -11.977 1.00 71.43 H new ATOM 0 HG LEU A 89 -3.063 -11.338 -9.601 1.00 43.33 H new ATOM 0 HD11 LEU A 89 -4.410 -9.790 -8.205 1.00 21.44 H new ATOM 0 HD12 LEU A 89 -3.305 -8.921 -9.296 1.00 21.44 H new ATOM 0 HD13 LEU A 89 -5.039 -9.022 -9.682 1.00 21.44 H new ATOM 0 HD21 LEU A 89 -5.316 -12.014 -8.820 1.00 33.41 H new ATOM 0 HD22 LEU A 89 -6.015 -11.402 -10.338 1.00 33.41 H new ATOM 0 HD23 LEU A 89 -4.884 -12.775 -10.369 1.00 33.41 H new ATOM 1468 N SER A 90 -1.990 -10.644 -14.180 1.00 71.44 N ATOM 1469 CA SER A 90 -1.688 -10.141 -15.537 1.00 54.13 C ATOM 1470 C SER A 90 -1.486 -11.298 -16.527 1.00 12.02 C ATOM 1471 O SER A 90 -1.863 -11.184 -17.693 1.00 72.23 O ATOM 1472 CB SER A 90 -0.433 -9.248 -15.516 1.00 52.51 C ATOM 1473 OG SER A 90 -0.169 -8.678 -16.787 1.00 2.14 O ATOM 0 H SER A 90 -1.285 -10.394 -13.486 1.00 71.44 H new ATOM 0 HA SER A 90 -2.542 -9.550 -15.867 1.00 54.13 H new ATOM 0 HB2 SER A 90 -0.565 -8.453 -14.782 1.00 52.51 H new ATOM 0 HB3 SER A 90 0.427 -9.837 -15.197 1.00 52.51 H new ATOM 0 HG SER A 90 0.633 -8.117 -16.734 1.00 2.14 H new ATOM 1479 N SER A 91 -0.899 -12.410 -16.042 1.00 61.22 N ATOM 1480 CA SER A 91 -0.695 -13.623 -16.844 1.00 44.23 C ATOM 1481 C SER A 91 -2.062 -14.186 -17.298 1.00 30.13 C ATOM 1482 O SER A 91 -2.260 -14.481 -18.475 1.00 33.21 O ATOM 1483 CB SER A 91 0.097 -14.672 -16.027 1.00 73.43 C ATOM 1484 OG SER A 91 0.468 -15.792 -16.819 1.00 74.14 O ATOM 0 H SER A 91 -0.555 -12.488 -15.085 1.00 61.22 H new ATOM 0 HA SER A 91 -0.113 -13.377 -17.732 1.00 44.23 H new ATOM 0 HB2 SER A 91 0.992 -14.208 -15.612 1.00 73.43 H new ATOM 0 HB3 SER A 91 -0.508 -15.008 -15.185 1.00 73.43 H new ATOM 0 HG SER A 91 0.967 -16.431 -16.269 1.00 74.14 H new ATOM 1490 N LEU A 92 -3.016 -14.243 -16.343 1.00 62.44 N ATOM 1491 CA LEU A 92 -4.380 -14.762 -16.577 1.00 5.13 C ATOM 1492 C LEU A 92 -5.187 -13.834 -17.511 1.00 11.24 C ATOM 1493 O LEU A 92 -5.901 -14.316 -18.394 1.00 34.22 O ATOM 1494 CB LEU A 92 -5.112 -14.954 -15.219 1.00 21.34 C ATOM 1495 CG LEU A 92 -4.460 -15.983 -14.241 1.00 41.12 C ATOM 1496 CD1 LEU A 92 -5.223 -16.047 -12.899 1.00 52.45 C ATOM 1497 CD2 LEU A 92 -4.337 -17.379 -14.896 1.00 75.31 C ATOM 0 H LEU A 92 -2.860 -13.929 -15.385 1.00 62.44 H new ATOM 0 HA LEU A 92 -4.298 -15.728 -17.075 1.00 5.13 H new ATOM 0 HB2 LEU A 92 -5.168 -13.988 -14.717 1.00 21.34 H new ATOM 0 HB3 LEU A 92 -6.136 -15.269 -15.420 1.00 21.34 H new ATOM 0 HG LEU A 92 -3.450 -15.637 -14.021 1.00 41.12 H new ATOM 0 HD11 LEU A 92 -4.743 -16.772 -12.242 1.00 52.45 H new ATOM 0 HD12 LEU A 92 -5.210 -15.065 -12.426 1.00 52.45 H new ATOM 0 HD13 LEU A 92 -6.254 -16.349 -13.081 1.00 52.45 H new ATOM 0 HD21 LEU A 92 -3.880 -18.073 -14.191 1.00 75.31 H new ATOM 0 HD22 LEU A 92 -5.328 -17.741 -15.170 1.00 75.31 H new ATOM 0 HD23 LEU A 92 -3.717 -17.308 -15.789 1.00 75.31 H new ATOM 1509 N ILE A 93 -5.044 -12.503 -17.303 1.00 30.44 N ATOM 1510 CA ILE A 93 -5.676 -11.461 -18.147 1.00 61.54 C ATOM 1511 C ILE A 93 -5.164 -11.573 -19.596 1.00 33.35 C ATOM 1512 O ILE A 93 -5.937 -11.485 -20.542 1.00 24.44 O ATOM 1513 CB ILE A 93 -5.385 -10.005 -17.604 1.00 42.10 C ATOM 1514 CG1 ILE A 93 -5.917 -9.830 -16.150 1.00 53.05 C ATOM 1515 CG2 ILE A 93 -5.985 -8.915 -18.535 1.00 52.35 C ATOM 1516 CD1 ILE A 93 -5.465 -8.548 -15.466 1.00 72.43 C ATOM 0 H ILE A 93 -4.484 -12.120 -16.541 1.00 30.44 H new ATOM 0 HA ILE A 93 -6.753 -11.627 -18.116 1.00 61.54 H new ATOM 0 HB ILE A 93 -4.303 -9.878 -17.593 1.00 42.10 H new ATOM 0 HG12 ILE A 93 -7.007 -9.852 -16.169 1.00 53.05 H new ATOM 0 HG13 ILE A 93 -5.591 -10.681 -15.552 1.00 53.05 H new ATOM 0 HG21 ILE A 93 -5.764 -7.928 -18.129 1.00 52.35 H new ATOM 0 HG22 ILE A 93 -5.547 -9.004 -19.529 1.00 52.35 H new ATOM 0 HG23 ILE A 93 -7.065 -9.047 -18.601 1.00 52.35 H new ATOM 0 HD11 ILE A 93 -5.880 -8.507 -14.459 1.00 72.43 H new ATOM 0 HD12 ILE A 93 -4.377 -8.529 -15.411 1.00 72.43 H new ATOM 0 HD13 ILE A 93 -5.814 -7.688 -16.038 1.00 72.43 H new ATOM 1528 N GLY A 94 -3.851 -11.811 -19.730 1.00 2.43 N ATOM 1529 CA GLY A 94 -3.205 -11.918 -21.038 1.00 12.44 C ATOM 1530 C GLY A 94 -3.670 -13.129 -21.840 1.00 23.10 C ATOM 1531 O GLY A 94 -3.588 -13.131 -23.072 1.00 21.40 O ATOM 0 H GLY A 94 -3.216 -11.933 -18.941 1.00 2.43 H new ATOM 0 HA2 GLY A 94 -3.406 -11.012 -21.610 1.00 12.44 H new ATOM 0 HA3 GLY A 94 -2.125 -11.975 -20.899 1.00 12.44 H new ATOM 1535 N GLN A 95 -4.158 -14.165 -21.131 1.00 0.54 N ATOM 1536 CA GLN A 95 -4.686 -15.390 -21.752 1.00 15.32 C ATOM 1537 C GLN A 95 -6.160 -15.218 -22.153 1.00 23.43 C ATOM 1538 O GLN A 95 -6.532 -15.497 -23.300 1.00 50.33 O ATOM 1539 CB GLN A 95 -4.526 -16.607 -20.796 1.00 2.52 C ATOM 1540 CG GLN A 95 -3.075 -16.904 -20.368 1.00 1.13 C ATOM 1541 CD GLN A 95 -2.122 -17.167 -21.538 1.00 34.50 C ATOM 1542 OE1 GLN A 95 -1.494 -16.248 -22.073 1.00 54.04 O ATOM 1543 NE2 GLN A 95 -2.003 -18.423 -21.943 1.00 54.41 N ATOM 0 H GLN A 95 -4.196 -14.174 -20.112 1.00 0.54 H new ATOM 0 HA GLN A 95 -4.107 -15.579 -22.656 1.00 15.32 H new ATOM 0 HB2 GLN A 95 -5.125 -16.431 -19.903 1.00 2.52 H new ATOM 0 HB3 GLN A 95 -4.935 -17.492 -21.285 1.00 2.52 H new ATOM 0 HG2 GLN A 95 -2.698 -16.061 -19.788 1.00 1.13 H new ATOM 0 HG3 GLN A 95 -3.072 -17.772 -19.708 1.00 1.13 H new ATOM 0 HE21 GLN A 95 -2.535 -19.160 -21.481 1.00 54.41 H new ATOM 0 HE22 GLN A 95 -1.379 -18.652 -22.717 1.00 54.41 H new ATOM 1552 N VAL A 96 -6.994 -14.757 -21.198 1.00 4.24 N ATOM 1553 CA VAL A 96 -8.451 -14.654 -21.401 1.00 24.12 C ATOM 1554 C VAL A 96 -8.813 -13.478 -22.328 1.00 75.35 C ATOM 1555 O VAL A 96 -9.582 -13.652 -23.271 1.00 32.05 O ATOM 1556 CB VAL A 96 -9.247 -14.562 -20.033 1.00 73.24 C ATOM 1557 CG1 VAL A 96 -9.057 -15.848 -19.199 1.00 32.50 C ATOM 1558 CG2 VAL A 96 -8.872 -13.311 -19.198 1.00 53.24 C ATOM 0 H VAL A 96 -6.681 -14.450 -20.277 1.00 4.24 H new ATOM 0 HA VAL A 96 -8.759 -15.577 -21.891 1.00 24.12 H new ATOM 0 HB VAL A 96 -10.300 -14.460 -20.295 1.00 73.24 H new ATOM 0 HG11 VAL A 96 -9.612 -15.761 -18.265 1.00 32.50 H new ATOM 0 HG12 VAL A 96 -9.426 -16.705 -19.763 1.00 32.50 H new ATOM 0 HG13 VAL A 96 -7.998 -15.987 -18.980 1.00 32.50 H new ATOM 0 HG21 VAL A 96 -9.450 -13.304 -18.274 1.00 53.24 H new ATOM 0 HG22 VAL A 96 -7.808 -13.337 -18.961 1.00 53.24 H new ATOM 0 HG23 VAL A 96 -9.094 -12.411 -19.771 1.00 53.24 H new ATOM 1568 N LEU A 97 -8.228 -12.297 -22.073 1.00 44.21 N ATOM 1569 CA LEU A 97 -8.527 -11.069 -22.830 1.00 24.01 C ATOM 1570 C LEU A 97 -7.755 -11.113 -24.160 1.00 41.14 C ATOM 1571 O LEU A 97 -6.521 -11.098 -24.169 1.00 2.12 O ATOM 1572 CB LEU A 97 -8.145 -9.804 -21.988 1.00 35.32 C ATOM 1573 CG LEU A 97 -8.842 -8.436 -22.349 1.00 43.41 C ATOM 1574 CD1 LEU A 97 -8.527 -7.373 -21.281 1.00 51.12 C ATOM 1575 CD2 LEU A 97 -8.466 -7.902 -23.750 1.00 73.11 C ATOM 0 H LEU A 97 -7.534 -12.166 -21.337 1.00 44.21 H new ATOM 0 HA LEU A 97 -9.595 -11.007 -23.040 1.00 24.01 H new ATOM 0 HB2 LEU A 97 -8.359 -10.022 -20.942 1.00 35.32 H new ATOM 0 HB3 LEU A 97 -7.067 -9.661 -22.070 1.00 35.32 H new ATOM 0 HG LEU A 97 -9.913 -8.639 -22.369 1.00 43.41 H new ATOM 0 HD11 LEU A 97 -9.016 -6.435 -21.546 1.00 51.12 H new ATOM 0 HD12 LEU A 97 -8.893 -7.712 -20.312 1.00 51.12 H new ATOM 0 HD13 LEU A 97 -7.449 -7.218 -21.228 1.00 51.12 H new ATOM 0 HD21 LEU A 97 -8.982 -6.959 -23.930 1.00 73.11 H new ATOM 0 HD22 LEU A 97 -7.389 -7.742 -23.801 1.00 73.11 H new ATOM 0 HD23 LEU A 97 -8.762 -8.628 -24.507 1.00 73.11 H new ATOM 1830 N ILE A 429 -16.018 -14.137 -20.798 1.00 54.41 N ATOM 1831 CA ILE A 429 -14.623 -13.663 -20.842 1.00 14.12 C ATOM 1832 C ILE A 429 -14.510 -12.240 -20.251 1.00 51.23 C ATOM 1833 O ILE A 429 -13.564 -11.941 -19.541 1.00 51.52 O ATOM 1834 CB ILE A 429 -14.081 -13.728 -22.335 1.00 61.25 C ATOM 1835 CG1 ILE A 429 -12.589 -13.236 -22.493 1.00 1.34 C ATOM 1836 CG2 ILE A 429 -15.020 -12.978 -23.308 1.00 52.25 C ATOM 1837 CD1 ILE A 429 -12.374 -11.754 -22.814 1.00 11.45 C ATOM 0 HA ILE A 429 -14.002 -14.315 -20.227 1.00 14.12 H new ATOM 0 HB ILE A 429 -14.077 -14.785 -22.600 1.00 61.25 H new ATOM 0 HG12 ILE A 429 -12.058 -13.462 -21.568 1.00 1.34 H new ATOM 0 HG13 ILE A 429 -12.120 -13.825 -23.282 1.00 1.34 H new ATOM 0 HG21 ILE A 429 -14.621 -13.041 -24.320 1.00 52.25 H new ATOM 0 HG22 ILE A 429 -16.011 -13.431 -23.280 1.00 52.25 H new ATOM 0 HG23 ILE A 429 -15.091 -11.932 -23.011 1.00 52.25 H new ATOM 0 HD11 ILE A 429 -11.306 -11.551 -22.896 1.00 11.45 H new ATOM 0 HD12 ILE A 429 -12.863 -11.511 -23.758 1.00 11.45 H new ATOM 0 HD13 ILE A 429 -12.800 -11.144 -22.018 1.00 11.45 H new ATOM 1849 N ASP A 430 -15.522 -11.396 -20.526 1.00 15.55 N ATOM 1850 CA ASP A 430 -15.615 -10.026 -19.993 1.00 72.12 C ATOM 1851 C ASP A 430 -15.643 -10.015 -18.452 1.00 34.04 C ATOM 1852 O ASP A 430 -14.996 -9.180 -17.818 1.00 23.04 O ATOM 1853 CB ASP A 430 -16.885 -9.347 -20.553 1.00 2.11 C ATOM 1854 CG ASP A 430 -17.196 -8.001 -19.890 1.00 64.10 C ATOM 1855 OD1 ASP A 430 -16.407 -7.057 -20.071 1.00 62.20 O ATOM 1856 OD2 ASP A 430 -18.222 -7.877 -19.185 1.00 51.51 O ATOM 0 H ASP A 430 -16.304 -11.649 -21.130 1.00 15.55 H new ATOM 0 HA ASP A 430 -14.729 -9.475 -20.307 1.00 72.12 H new ATOM 0 HB2 ASP A 430 -16.765 -9.196 -21.626 1.00 2.11 H new ATOM 0 HB3 ASP A 430 -17.735 -10.015 -20.418 1.00 2.11 H new ATOM 1861 N GLU A 431 -16.401 -10.966 -17.877 1.00 23.14 N ATOM 1862 CA GLU A 431 -16.594 -11.081 -16.428 1.00 74.14 C ATOM 1863 C GLU A 431 -15.285 -11.493 -15.736 1.00 2.10 C ATOM 1864 O GLU A 431 -14.876 -10.856 -14.767 1.00 4.02 O ATOM 1865 CB GLU A 431 -17.717 -12.097 -16.118 1.00 33.23 C ATOM 1866 CG GLU A 431 -19.073 -11.755 -16.757 1.00 61.24 C ATOM 1867 CD GLU A 431 -20.123 -12.829 -16.463 1.00 50.33 C ATOM 1868 OE1 GLU A 431 -20.292 -13.750 -17.287 1.00 74.32 O ATOM 1869 OE2 GLU A 431 -20.747 -12.794 -15.385 1.00 54.10 O ATOM 0 H GLU A 431 -16.898 -11.678 -18.412 1.00 23.14 H new ATOM 0 HA GLU A 431 -16.890 -10.106 -16.040 1.00 74.14 H new ATOM 0 HB2 GLU A 431 -17.404 -13.083 -16.462 1.00 33.23 H new ATOM 0 HB3 GLU A 431 -17.844 -12.162 -15.037 1.00 33.23 H new ATOM 0 HG2 GLU A 431 -19.421 -10.793 -16.380 1.00 61.24 H new ATOM 0 HG3 GLU A 431 -18.951 -11.650 -17.835 1.00 61.24 H new ATOM 1876 N THR A 432 -14.618 -12.544 -16.269 1.00 3.22 N ATOM 1877 CA THR A 432 -13.363 -13.060 -15.682 1.00 1.33 C ATOM 1878 C THR A 432 -12.222 -12.023 -15.805 1.00 4.25 C ATOM 1879 O THR A 432 -11.399 -11.894 -14.885 1.00 72.55 O ATOM 1880 CB THR A 432 -12.937 -14.438 -16.296 1.00 64.10 C ATOM 1881 OG1 THR A 432 -11.839 -14.991 -15.557 1.00 25.43 O ATOM 1882 CG2 THR A 432 -12.535 -14.342 -17.773 1.00 4.44 C ATOM 0 H THR A 432 -14.928 -13.048 -17.100 1.00 3.22 H new ATOM 0 HA THR A 432 -13.559 -13.231 -14.623 1.00 1.33 H new ATOM 0 HB THR A 432 -13.813 -15.083 -16.231 1.00 64.10 H new ATOM 0 HG1 THR A 432 -11.582 -15.852 -15.948 1.00 25.43 H new ATOM 0 HG21 THR A 432 -12.251 -15.329 -18.138 1.00 4.44 H new ATOM 0 HG22 THR A 432 -13.377 -13.968 -18.356 1.00 4.44 H new ATOM 0 HG23 THR A 432 -11.691 -13.660 -17.877 1.00 4.44 H new ATOM 1890 N VAL A 433 -12.213 -11.267 -16.935 1.00 61.13 N ATOM 1891 CA VAL A 433 -11.319 -10.117 -17.116 1.00 3.05 C ATOM 1892 C VAL A 433 -11.566 -9.116 -15.992 1.00 2.31 C ATOM 1893 O VAL A 433 -10.654 -8.815 -15.255 1.00 2.22 O ATOM 1894 CB VAL A 433 -11.508 -9.414 -18.518 1.00 42.21 C ATOM 1895 CG1 VAL A 433 -10.828 -8.021 -18.569 1.00 12.40 C ATOM 1896 CG2 VAL A 433 -10.974 -10.307 -19.657 1.00 12.51 C ATOM 0 H VAL A 433 -12.823 -11.444 -17.733 1.00 61.13 H new ATOM 0 HA VAL A 433 -10.293 -10.483 -17.085 1.00 3.05 H new ATOM 0 HB VAL A 433 -12.579 -9.265 -18.656 1.00 42.21 H new ATOM 0 HG11 VAL A 433 -10.984 -7.576 -19.552 1.00 12.40 H new ATOM 0 HG12 VAL A 433 -11.262 -7.376 -17.805 1.00 12.40 H new ATOM 0 HG13 VAL A 433 -9.759 -8.131 -18.386 1.00 12.40 H new ATOM 0 HG21 VAL A 433 -11.115 -9.802 -20.612 1.00 12.51 H new ATOM 0 HG22 VAL A 433 -9.912 -10.499 -19.502 1.00 12.51 H new ATOM 0 HG23 VAL A 433 -11.517 -11.252 -19.663 1.00 12.51 H new ATOM 1906 N ALA A 434 -12.841 -8.707 -15.830 1.00 45.20 N ATOM 1907 CA ALA A 434 -13.266 -7.706 -14.834 1.00 41.23 C ATOM 1908 C ALA A 434 -12.792 -8.069 -13.415 1.00 5.32 C ATOM 1909 O ALA A 434 -12.434 -7.179 -12.643 1.00 65.04 O ATOM 1910 CB ALA A 434 -14.792 -7.534 -14.865 1.00 5.23 C ATOM 0 H ALA A 434 -13.611 -9.067 -16.394 1.00 45.20 H new ATOM 0 HA ALA A 434 -12.797 -6.759 -15.101 1.00 41.23 H new ATOM 0 HB1 ALA A 434 -15.090 -6.792 -14.124 1.00 5.23 H new ATOM 0 HB2 ALA A 434 -15.101 -7.201 -15.856 1.00 5.23 H new ATOM 0 HB3 ALA A 434 -15.270 -8.487 -14.637 1.00 5.23 H new ATOM 1916 N ARG A 435 -12.768 -9.386 -13.094 1.00 75.33 N ATOM 1917 CA ARG A 435 -12.304 -9.879 -11.784 1.00 0.02 C ATOM 1918 C ARG A 435 -10.798 -9.620 -11.614 1.00 74.14 C ATOM 1919 O ARG A 435 -10.402 -8.807 -10.781 1.00 61.20 O ATOM 1920 CB ARG A 435 -12.620 -11.391 -11.608 1.00 42.42 C ATOM 1921 CG ARG A 435 -14.105 -11.764 -11.815 1.00 34.20 C ATOM 1922 CD ARG A 435 -15.076 -10.950 -10.929 1.00 62.41 C ATOM 1923 NE ARG A 435 -16.482 -11.157 -11.320 1.00 70.21 N ATOM 1924 CZ ARG A 435 -17.337 -10.194 -11.692 1.00 41.21 C ATOM 1925 NH1 ARG A 435 -16.962 -8.913 -11.729 1.00 54.11 N ATOM 1926 NH2 ARG A 435 -18.572 -10.520 -12.023 1.00 75.41 N ATOM 0 H ARG A 435 -13.067 -10.124 -13.731 1.00 75.33 H new ATOM 0 HA ARG A 435 -12.842 -9.332 -11.010 1.00 0.02 H new ATOM 0 HB2 ARG A 435 -12.014 -11.960 -12.313 1.00 42.42 H new ATOM 0 HB3 ARG A 435 -12.318 -11.698 -10.607 1.00 42.42 H new ATOM 0 HG2 ARG A 435 -14.367 -11.611 -12.862 1.00 34.20 H new ATOM 0 HG3 ARG A 435 -14.237 -12.825 -11.605 1.00 34.20 H new ATOM 0 HD2 ARG A 435 -14.943 -11.237 -9.886 1.00 62.41 H new ATOM 0 HD3 ARG A 435 -14.831 -9.890 -11.001 1.00 62.41 H new ATOM 0 HE ARG A 435 -16.834 -12.114 -11.306 1.00 70.21 H new ATOM 0 HH11 ARG A 435 -16.010 -8.653 -11.471 1.00 54.11 H new ATOM 0 HH12 ARG A 435 -17.628 -8.195 -12.015 1.00 54.11 H new ATOM 0 HH21 ARG A 435 -18.867 -11.496 -11.994 1.00 75.41 H new ATOM 0 HH22 ARG A 435 -19.232 -9.796 -12.308 1.00 75.41 H new ATOM 1940 N TYR A 436 -9.978 -10.256 -12.476 1.00 20.43 N ATOM 1941 CA TYR A 436 -8.500 -10.206 -12.356 1.00 11.52 C ATOM 1942 C TYR A 436 -7.932 -8.806 -12.661 1.00 43.43 C ATOM 1943 O TYR A 436 -6.856 -8.468 -12.185 1.00 43.51 O ATOM 1944 CB TYR A 436 -7.833 -11.250 -13.288 1.00 14.33 C ATOM 1945 CG TYR A 436 -8.241 -12.699 -13.000 1.00 4.23 C ATOM 1946 CD1 TYR A 436 -7.971 -13.290 -11.763 1.00 72.25 C ATOM 1947 CD2 TYR A 436 -8.893 -13.476 -13.962 1.00 11.42 C ATOM 1948 CE1 TYR A 436 -8.340 -14.593 -11.500 1.00 62.44 C ATOM 1949 CE2 TYR A 436 -9.261 -14.776 -13.700 1.00 64.04 C ATOM 1950 CZ TYR A 436 -8.985 -15.333 -12.472 1.00 33.11 C ATOM 1951 OH TYR A 436 -9.363 -16.633 -12.209 1.00 51.20 O ATOM 0 H TYR A 436 -10.311 -10.811 -13.264 1.00 20.43 H new ATOM 0 HA TYR A 436 -8.267 -10.443 -11.318 1.00 11.52 H new ATOM 0 HB2 TYR A 436 -8.085 -11.012 -14.321 1.00 14.33 H new ATOM 0 HB3 TYR A 436 -6.750 -11.164 -13.196 1.00 14.33 H new ATOM 0 HD1 TYR A 436 -7.465 -12.717 -11.000 1.00 72.25 H new ATOM 0 HD2 TYR A 436 -9.112 -13.048 -14.929 1.00 11.42 H new ATOM 0 HE1 TYR A 436 -8.125 -15.033 -10.537 1.00 62.44 H new ATOM 0 HE2 TYR A 436 -9.766 -15.358 -14.457 1.00 64.04 H new ATOM 0 HH TYR A 436 -9.806 -17.011 -12.997 1.00 51.20 H new ATOM 1961 N LYS A 437 -8.676 -8.020 -13.457 1.00 64.32 N ATOM 1962 CA LYS A 437 -8.263 -6.680 -13.916 1.00 14.31 C ATOM 1963 C LYS A 437 -8.538 -5.640 -12.834 1.00 64.15 C ATOM 1964 O LYS A 437 -7.740 -4.719 -12.648 1.00 31.44 O ATOM 1965 CB LYS A 437 -9.004 -6.296 -15.225 1.00 71.42 C ATOM 1966 CG LYS A 437 -8.625 -4.917 -15.802 1.00 0.44 C ATOM 1967 CD LYS A 437 -9.461 -4.530 -17.038 1.00 31.12 C ATOM 1968 CE LYS A 437 -9.100 -3.133 -17.563 1.00 44.21 C ATOM 1969 NZ LYS A 437 -7.689 -3.065 -18.029 1.00 42.40 N ATOM 0 H LYS A 437 -9.593 -8.300 -13.805 1.00 64.32 H new ATOM 0 HA LYS A 437 -7.192 -6.704 -14.118 1.00 14.31 H new ATOM 0 HB2 LYS A 437 -8.801 -7.058 -15.978 1.00 71.42 H new ATOM 0 HB3 LYS A 437 -10.077 -6.313 -15.037 1.00 71.42 H new ATOM 0 HG2 LYS A 437 -8.755 -4.158 -15.030 1.00 0.44 H new ATOM 0 HG3 LYS A 437 -7.569 -4.920 -16.071 1.00 0.44 H new ATOM 0 HD2 LYS A 437 -9.303 -5.265 -17.827 1.00 31.12 H new ATOM 0 HD3 LYS A 437 -10.520 -4.559 -16.783 1.00 31.12 H new ATOM 0 HE2 LYS A 437 -9.767 -2.870 -18.384 1.00 44.21 H new ATOM 0 HE3 LYS A 437 -9.258 -2.397 -16.775 1.00 44.21 H new ATOM 0 HZ1 LYS A 437 -7.522 -2.152 -18.499 1.00 42.40 H new ATOM 0 HZ2 LYS A 437 -7.049 -3.157 -17.214 1.00 42.40 H new ATOM 0 HZ3 LYS A 437 -7.508 -3.838 -18.700 1.00 42.40 H new ATOM 1983 N ALA A 438 -9.687 -5.775 -12.139 1.00 72.31 N ATOM 1984 CA ALA A 438 -9.986 -4.941 -10.967 1.00 54.41 C ATOM 1985 C ALA A 438 -8.941 -5.209 -9.883 1.00 62.43 C ATOM 1986 O ALA A 438 -8.313 -4.278 -9.393 1.00 55.34 O ATOM 1987 CB ALA A 438 -11.405 -5.186 -10.447 1.00 44.43 C ATOM 0 H ALA A 438 -10.415 -6.450 -12.371 1.00 72.31 H new ATOM 0 HA ALA A 438 -9.939 -3.892 -11.258 1.00 54.41 H new ATOM 0 HB1 ALA A 438 -11.589 -4.552 -9.580 1.00 44.43 H new ATOM 0 HB2 ALA A 438 -12.125 -4.949 -11.230 1.00 44.43 H new ATOM 0 HB3 ALA A 438 -11.512 -6.232 -10.160 1.00 44.43 H new ATOM 1993 N GLN A 439 -8.711 -6.504 -9.585 1.00 4.23 N ATOM 1994 CA GLN A 439 -7.699 -6.939 -8.603 1.00 13.32 C ATOM 1995 C GLN A 439 -6.292 -6.457 -9.005 1.00 24.33 C ATOM 1996 O GLN A 439 -5.495 -6.075 -8.146 1.00 51.11 O ATOM 1997 CB GLN A 439 -7.712 -8.484 -8.446 1.00 21.50 C ATOM 1998 CG GLN A 439 -9.046 -9.083 -7.955 1.00 45.54 C ATOM 1999 CD GLN A 439 -9.560 -8.433 -6.676 1.00 52.41 C ATOM 2000 OE1 GLN A 439 -9.241 -8.859 -5.581 1.00 12.02 O ATOM 2001 NE2 GLN A 439 -10.371 -7.400 -6.807 1.00 21.32 N ATOM 0 H GLN A 439 -9.220 -7.275 -10.017 1.00 4.23 H new ATOM 0 HA GLN A 439 -7.954 -6.489 -7.644 1.00 13.32 H new ATOM 0 HB2 GLN A 439 -7.463 -8.933 -9.407 1.00 21.50 H new ATOM 0 HB3 GLN A 439 -6.925 -8.769 -7.747 1.00 21.50 H new ATOM 0 HG2 GLN A 439 -9.796 -8.973 -8.738 1.00 45.54 H new ATOM 0 HG3 GLN A 439 -8.917 -10.152 -7.785 1.00 45.54 H new ATOM 0 HE21 GLN A 439 -10.622 -7.063 -7.737 1.00 21.32 H new ATOM 0 HE22 GLN A 439 -10.747 -6.938 -5.979 1.00 21.32 H new ATOM 2010 N PHE A 440 -6.016 -6.460 -10.326 1.00 22.23 N ATOM 2011 CA PHE A 440 -4.733 -6.004 -10.865 1.00 23.12 C ATOM 2012 C PHE A 440 -4.541 -4.509 -10.567 1.00 1.50 C ATOM 2013 O PHE A 440 -3.677 -4.153 -9.784 1.00 12.41 O ATOM 2014 CB PHE A 440 -4.624 -6.284 -12.388 1.00 61.14 C ATOM 2015 CG PHE A 440 -3.266 -5.929 -12.990 1.00 74.11 C ATOM 2016 CD1 PHE A 440 -2.159 -6.743 -12.761 1.00 15.31 C ATOM 2017 CD2 PHE A 440 -3.089 -4.781 -13.770 1.00 61.54 C ATOM 2018 CE1 PHE A 440 -0.925 -6.422 -13.288 1.00 32.24 C ATOM 2019 CE2 PHE A 440 -1.854 -4.465 -14.298 1.00 70.24 C ATOM 2020 CZ PHE A 440 -0.772 -5.286 -14.055 1.00 40.34 C ATOM 0 H PHE A 440 -6.675 -6.777 -11.037 1.00 22.23 H new ATOM 0 HA PHE A 440 -3.938 -6.566 -10.376 1.00 23.12 H new ATOM 0 HB2 PHE A 440 -4.825 -7.340 -12.568 1.00 61.14 H new ATOM 0 HB3 PHE A 440 -5.399 -5.719 -12.907 1.00 61.14 H new ATOM 0 HD1 PHE A 440 -2.268 -7.636 -12.164 1.00 15.31 H new ATOM 0 HD2 PHE A 440 -3.931 -4.133 -13.962 1.00 61.54 H new ATOM 0 HE1 PHE A 440 -0.076 -7.062 -13.099 1.00 32.24 H new ATOM 0 HE2 PHE A 440 -1.734 -3.577 -14.900 1.00 70.24 H new ATOM 0 HZ PHE A 440 0.196 -5.039 -14.466 1.00 40.34 H new ATOM 2030 N THR A 441 -5.430 -3.671 -11.132 1.00 71.12 N ATOM 2031 CA THR A 441 -5.331 -2.200 -11.070 1.00 1.43 C ATOM 2032 C THR A 441 -5.362 -1.660 -9.618 1.00 25.34 C ATOM 2033 O THR A 441 -4.672 -0.694 -9.303 1.00 15.20 O ATOM 2034 CB THR A 441 -6.485 -1.556 -11.909 1.00 43.22 C ATOM 2035 OG1 THR A 441 -6.467 -2.087 -13.246 1.00 62.04 O ATOM 2036 CG2 THR A 441 -6.388 -0.017 -11.969 1.00 20.32 C ATOM 0 H THR A 441 -6.245 -3.999 -11.650 1.00 71.12 H new ATOM 0 HA THR A 441 -4.365 -1.922 -11.491 1.00 1.43 H new ATOM 0 HB THR A 441 -7.422 -1.806 -11.411 1.00 43.22 H new ATOM 0 HG1 THR A 441 -6.875 -2.978 -13.250 1.00 62.04 H new ATOM 0 HG21 THR A 441 -7.213 0.377 -12.563 1.00 20.32 H new ATOM 0 HG22 THR A 441 -6.441 0.391 -10.959 1.00 20.32 H new ATOM 0 HG23 THR A 441 -5.441 0.270 -12.427 1.00 20.32 H new ATOM 2044 N GLN A 442 -6.153 -2.315 -8.750 1.00 45.02 N ATOM 2045 CA GLN A 442 -6.313 -1.918 -7.337 1.00 11.42 C ATOM 2046 C GLN A 442 -5.039 -2.208 -6.521 1.00 42.33 C ATOM 2047 O GLN A 442 -4.530 -1.324 -5.833 1.00 35.33 O ATOM 2048 CB GLN A 442 -7.544 -2.632 -6.724 1.00 31.14 C ATOM 2049 CG GLN A 442 -8.906 -2.132 -7.263 1.00 71.32 C ATOM 2050 CD GLN A 442 -10.106 -3.011 -6.869 1.00 11.31 C ATOM 2051 OE1 GLN A 442 -9.912 -4.327 -6.811 1.00 32.54 O flip ATOM 2052 NE2 GLN A 442 -11.217 -2.515 -6.673 1.00 2.44 N flip ATOM 0 H GLN A 442 -6.701 -3.136 -9.007 1.00 45.02 H new ATOM 0 HA GLN A 442 -6.478 -0.841 -7.300 1.00 11.42 H new ATOM 0 HB2 GLN A 442 -7.461 -3.702 -6.916 1.00 31.14 H new ATOM 0 HB3 GLN A 442 -7.524 -2.500 -5.642 1.00 31.14 H new ATOM 0 HG2 GLN A 442 -9.078 -1.119 -6.899 1.00 71.32 H new ATOM 0 HG3 GLN A 442 -8.854 -2.075 -8.350 1.00 71.32 H new ATOM 0 HE21 GLN A 442 -11.340 -1.504 -6.723 1.00 2.44 H new ATOM 0 HE22 GLN A 442 -12.013 -3.116 -6.461 1.00 2.44 H new ATOM 2061 N LEU A 443 -4.521 -3.454 -6.619 1.00 61.00 N ATOM 2062 CA LEU A 443 -3.255 -3.853 -5.943 1.00 2.15 C ATOM 2063 C LEU A 443 -2.027 -3.167 -6.609 1.00 21.30 C ATOM 2064 O LEU A 443 -0.966 -3.046 -5.984 1.00 64.23 O ATOM 2065 CB LEU A 443 -3.083 -5.410 -5.945 1.00 42.02 C ATOM 2066 CG LEU A 443 -3.896 -6.262 -4.894 1.00 32.00 C ATOM 2067 CD1 LEU A 443 -5.420 -6.065 -4.993 1.00 3.24 C ATOM 2068 CD2 LEU A 443 -3.534 -7.763 -5.032 1.00 10.23 C ATOM 0 H LEU A 443 -4.956 -4.203 -7.158 1.00 61.00 H new ATOM 0 HA LEU A 443 -3.312 -3.518 -4.907 1.00 2.15 H new ATOM 0 HB2 LEU A 443 -3.347 -5.771 -6.939 1.00 42.02 H new ATOM 0 HB3 LEU A 443 -2.025 -5.626 -5.799 1.00 42.02 H new ATOM 0 HG LEU A 443 -3.606 -5.900 -3.908 1.00 32.00 H new ATOM 0 HD11 LEU A 443 -5.916 -6.680 -4.242 1.00 3.24 H new ATOM 0 HD12 LEU A 443 -5.663 -5.016 -4.822 1.00 3.24 H new ATOM 0 HD13 LEU A 443 -5.761 -6.359 -5.986 1.00 3.24 H new ATOM 0 HD21 LEU A 443 -4.100 -8.342 -4.303 1.00 10.23 H new ATOM 0 HD22 LEU A 443 -3.780 -8.106 -6.037 1.00 10.23 H new ATOM 0 HD23 LEU A 443 -2.467 -7.898 -4.853 1.00 10.23 H new ATOM 2080 N ASP A 444 -2.192 -2.724 -7.878 1.00 12.33 N ATOM 2081 CA ASP A 444 -1.120 -2.077 -8.677 1.00 71.43 C ATOM 2082 C ASP A 444 -0.988 -0.597 -8.312 1.00 71.31 C ATOM 2083 O ASP A 444 0.127 -0.095 -8.163 1.00 32.51 O ATOM 2084 CB ASP A 444 -1.390 -2.227 -10.204 1.00 43.45 C ATOM 2085 CG ASP A 444 -0.280 -1.621 -11.085 1.00 5.51 C ATOM 2086 OD1 ASP A 444 -0.415 -0.461 -11.540 1.00 51.44 O ATOM 2087 OD2 ASP A 444 0.740 -2.303 -11.323 1.00 60.11 O ATOM 0 H ASP A 444 -3.076 -2.805 -8.380 1.00 12.33 H new ATOM 0 HA ASP A 444 -0.183 -2.581 -8.441 1.00 71.43 H new ATOM 0 HB2 ASP A 444 -1.497 -3.285 -10.444 1.00 43.45 H new ATOM 0 HB3 ASP A 444 -2.338 -1.747 -10.446 1.00 43.45 H new ATOM 2092 N THR A 445 -2.133 0.105 -8.172 1.00 50.43 N ATOM 2093 CA THR A 445 -2.134 1.521 -7.767 1.00 32.41 C ATOM 2094 C THR A 445 -1.757 1.629 -6.285 1.00 64.24 C ATOM 2095 O THR A 445 -1.131 2.609 -5.869 1.00 41.32 O ATOM 2096 CB THR A 445 -3.493 2.252 -8.053 1.00 71.13 C ATOM 2097 OG1 THR A 445 -3.325 3.673 -7.875 1.00 52.34 O ATOM 2098 CG2 THR A 445 -4.646 1.768 -7.160 1.00 10.11 C ATOM 0 H THR A 445 -3.061 -0.286 -8.333 1.00 50.43 H new ATOM 0 HA THR A 445 -1.390 2.032 -8.379 1.00 32.41 H new ATOM 0 HB THR A 445 -3.762 2.014 -9.082 1.00 71.13 H new ATOM 0 HG1 THR A 445 -4.174 4.128 -8.055 1.00 52.34 H new ATOM 0 HG21 THR A 445 -5.555 2.315 -7.411 1.00 10.11 H new ATOM 0 HG22 THR A 445 -4.808 0.702 -7.321 1.00 10.11 H new ATOM 0 HG23 THR A 445 -4.394 1.943 -6.114 1.00 10.11 H new ATOM 2106 N MET A 446 -2.130 0.585 -5.505 1.00 44.42 N ATOM 2107 CA MET A 446 -1.687 0.439 -4.127 1.00 12.52 C ATOM 2108 C MET A 446 -0.161 0.311 -4.102 1.00 51.41 C ATOM 2109 O MET A 446 0.481 0.984 -3.323 1.00 45.04 O ATOM 2110 CB MET A 446 -2.338 -0.784 -3.427 1.00 52.25 C ATOM 2111 CG MET A 446 -1.997 -0.870 -1.929 1.00 54.11 C ATOM 2112 SD MET A 446 -2.752 -2.266 -1.078 1.00 33.20 S ATOM 2113 CE MET A 446 -2.263 -1.917 0.616 1.00 33.33 C ATOM 0 H MET A 446 -2.742 -0.166 -5.825 1.00 44.42 H new ATOM 0 HA MET A 446 -2.000 1.325 -3.575 1.00 12.52 H new ATOM 0 HB2 MET A 446 -3.420 -0.730 -3.545 1.00 52.25 H new ATOM 0 HB3 MET A 446 -2.008 -1.697 -3.922 1.00 52.25 H new ATOM 0 HG2 MET A 446 -0.915 -0.933 -1.817 1.00 54.11 H new ATOM 0 HG3 MET A 446 -2.314 0.052 -1.442 1.00 54.11 H new ATOM 0 HE1 MET A 446 -1.665 -2.743 1.000 1.00 33.33 H new ATOM 0 HE2 MET A 446 -1.675 -1.000 0.643 1.00 33.33 H new ATOM 0 HE3 MET A 446 -3.153 -1.796 1.234 1.00 33.33 H new ATOM 2123 N MET A 447 0.388 -0.534 -5.015 1.00 52.34 N ATOM 2124 CA MET A 447 1.840 -0.786 -5.124 1.00 13.42 C ATOM 2125 C MET A 447 2.637 0.478 -5.464 1.00 54.23 C ATOM 2126 O MET A 447 3.622 0.778 -4.794 1.00 61.54 O ATOM 2127 CB MET A 447 2.153 -1.890 -6.160 1.00 52.24 C ATOM 2128 CG MET A 447 3.661 -2.076 -6.452 1.00 20.40 C ATOM 2129 SD MET A 447 4.008 -3.574 -7.372 1.00 23.14 S ATOM 2130 CE MET A 447 3.509 -4.777 -6.157 1.00 21.33 C ATOM 0 H MET A 447 -0.168 -1.056 -5.693 1.00 52.34 H new ATOM 0 HA MET A 447 2.154 -1.125 -4.137 1.00 13.42 H new ATOM 0 HB2 MET A 447 1.744 -2.835 -5.802 1.00 52.24 H new ATOM 0 HB3 MET A 447 1.640 -1.654 -7.092 1.00 52.24 H new ATOM 0 HG2 MET A 447 4.027 -1.217 -7.014 1.00 20.40 H new ATOM 0 HG3 MET A 447 4.209 -2.098 -5.510 1.00 20.40 H new ATOM 0 HE1 MET A 447 4.275 -5.548 -6.073 1.00 21.33 H new ATOM 0 HE2 MET A 447 3.380 -4.287 -5.192 1.00 21.33 H new ATOM 0 HE3 MET A 447 2.567 -5.233 -6.462 1.00 21.33 H new ATOM 2140 N SER A 448 2.206 1.200 -6.509 1.00 3.31 N ATOM 2141 CA SER A 448 2.907 2.400 -7.000 1.00 50.34 C ATOM 2142 C SER A 448 2.943 3.491 -5.918 1.00 52.43 C ATOM 2143 O SER A 448 3.980 4.136 -5.699 1.00 1.12 O ATOM 2144 CB SER A 448 2.215 2.912 -8.275 1.00 75.10 C ATOM 2145 OG SER A 448 0.830 3.100 -8.053 1.00 70.32 O ATOM 0 H SER A 448 1.364 0.971 -7.038 1.00 3.31 H new ATOM 0 HA SER A 448 3.938 2.139 -7.238 1.00 50.34 H new ATOM 0 HB2 SER A 448 2.669 3.852 -8.588 1.00 75.10 H new ATOM 0 HB3 SER A 448 2.365 2.200 -9.087 1.00 75.10 H new ATOM 0 HG SER A 448 0.408 3.427 -8.875 1.00 70.32 H new ATOM 2151 N LYS A 449 1.797 3.659 -5.227 1.00 45.51 N ATOM 2152 CA LYS A 449 1.679 4.605 -4.117 1.00 50.13 C ATOM 2153 C LYS A 449 2.475 4.123 -2.894 1.00 43.21 C ATOM 2154 O LYS A 449 3.133 4.931 -2.264 1.00 2.22 O ATOM 2155 CB LYS A 449 0.203 4.851 -3.732 1.00 34.25 C ATOM 2156 CG LYS A 449 -0.633 5.580 -4.807 1.00 61.12 C ATOM 2157 CD LYS A 449 -2.059 5.923 -4.310 1.00 60.21 C ATOM 2158 CE LYS A 449 -2.054 6.926 -3.140 1.00 21.30 C ATOM 2159 NZ LYS A 449 -3.418 7.180 -2.603 1.00 35.32 N ATOM 0 H LYS A 449 0.939 3.144 -5.426 1.00 45.51 H new ATOM 0 HA LYS A 449 2.100 5.552 -4.455 1.00 50.13 H new ATOM 0 HB2 LYS A 449 -0.266 3.891 -3.516 1.00 34.25 H new ATOM 0 HB3 LYS A 449 0.174 5.435 -2.812 1.00 34.25 H new ATOM 0 HG2 LYS A 449 -0.123 6.497 -5.101 1.00 61.12 H new ATOM 0 HG3 LYS A 449 -0.701 4.954 -5.697 1.00 61.12 H new ATOM 0 HD2 LYS A 449 -2.638 6.337 -5.136 1.00 60.21 H new ATOM 0 HD3 LYS A 449 -2.560 5.007 -3.997 1.00 60.21 H new ATOM 0 HE2 LYS A 449 -1.418 6.545 -2.341 1.00 21.30 H new ATOM 0 HE3 LYS A 449 -1.617 7.867 -3.474 1.00 21.30 H new ATOM 0 HZ1 LYS A 449 -3.361 7.861 -1.819 1.00 35.32 H new ATOM 0 HZ2 LYS A 449 -4.021 7.569 -3.356 1.00 35.32 H new ATOM 0 HZ3 LYS A 449 -3.827 6.288 -2.258 1.00 35.32 H new ATOM 2173 N LEU A 450 2.441 2.802 -2.585 1.00 34.13 N ATOM 2174 CA LEU A 450 3.103 2.263 -1.368 1.00 43.22 C ATOM 2175 C LEU A 450 4.630 2.216 -1.550 1.00 55.41 C ATOM 2176 O LEU A 450 5.376 2.218 -0.577 1.00 60.23 O ATOM 2177 CB LEU A 450 2.495 0.887 -0.894 1.00 1.21 C ATOM 2178 CG LEU A 450 2.800 -0.452 -1.678 1.00 2.24 C ATOM 2179 CD1 LEU A 450 4.220 -1.023 -1.445 1.00 10.32 C ATOM 2180 CD2 LEU A 450 1.743 -1.534 -1.348 1.00 63.04 C ATOM 0 H LEU A 450 1.969 2.098 -3.153 1.00 34.13 H new ATOM 0 HA LEU A 450 2.896 2.956 -0.552 1.00 43.22 H new ATOM 0 HB2 LEU A 450 2.817 0.734 0.136 1.00 1.21 H new ATOM 0 HB3 LEU A 450 1.412 1.006 -0.875 1.00 1.21 H new ATOM 0 HG LEU A 450 2.749 -0.181 -2.733 1.00 2.24 H new ATOM 0 HD11 LEU A 450 4.342 -1.941 -2.020 1.00 10.32 H new ATOM 0 HD12 LEU A 450 4.963 -0.292 -1.765 1.00 10.32 H new ATOM 0 HD13 LEU A 450 4.356 -1.239 -0.385 1.00 10.32 H new ATOM 0 HD21 LEU A 450 1.972 -2.447 -1.898 1.00 63.04 H new ATOM 0 HD22 LEU A 450 1.757 -1.742 -0.278 1.00 63.04 H new ATOM 0 HD23 LEU A 450 0.754 -1.176 -1.635 1.00 63.04 H new ATOM 2192 N ASN A 451 5.069 2.175 -2.815 1.00 11.23 N ATOM 2193 CA ASN A 451 6.491 2.227 -3.192 1.00 62.25 C ATOM 2194 C ASN A 451 6.996 3.671 -3.045 1.00 60.34 C ATOM 2195 O ASN A 451 8.095 3.910 -2.534 1.00 4.41 O ATOM 2196 CB ASN A 451 6.673 1.704 -4.646 1.00 72.24 C ATOM 2197 CG ASN A 451 8.123 1.732 -5.137 1.00 41.31 C ATOM 2198 OD1 ASN A 451 8.878 0.777 -4.942 1.00 11.45 O ATOM 2199 ND2 ASN A 451 8.519 2.827 -5.775 1.00 30.44 N ATOM 0 H ASN A 451 4.441 2.104 -3.616 1.00 11.23 H new ATOM 0 HA ASN A 451 7.078 1.586 -2.534 1.00 62.25 H new ATOM 0 HB2 ASN A 451 6.300 0.682 -4.704 1.00 72.24 H new ATOM 0 HB3 ASN A 451 6.060 2.305 -5.318 1.00 72.24 H new ATOM 0 HD21 ASN A 451 9.476 2.897 -6.122 1.00 30.44 H new ATOM 0 HD22 ASN A 451 7.867 3.598 -5.918 1.00 30.44 H new ATOM 2206 N ASN A 452 6.143 4.620 -3.486 1.00 10.52 N ATOM 2207 CA ASN A 452 6.389 6.069 -3.363 1.00 42.30 C ATOM 2208 C ASN A 452 6.447 6.478 -1.882 1.00 51.13 C ATOM 2209 O ASN A 452 7.344 7.235 -1.468 1.00 15.00 O ATOM 2210 CB ASN A 452 5.267 6.862 -4.088 1.00 34.51 C ATOM 2211 CG ASN A 452 5.463 8.384 -4.067 1.00 64.42 C ATOM 2212 OD1 ASN A 452 6.591 8.889 -4.119 1.00 42.51 O ATOM 2213 ND2 ASN A 452 4.370 9.126 -3.969 1.00 65.35 N ATOM 0 H ASN A 452 5.257 4.398 -3.941 1.00 10.52 H new ATOM 0 HA ASN A 452 7.347 6.301 -3.828 1.00 42.30 H new ATOM 0 HB2 ASN A 452 5.212 6.528 -5.124 1.00 34.51 H new ATOM 0 HB3 ASN A 452 4.310 6.623 -3.624 1.00 34.51 H new ATOM 0 HD21 ASN A 452 4.445 10.143 -3.934 1.00 65.35 H new ATOM 0 HD22 ASN A 452 3.453 8.681 -3.928 1.00 65.35 H new ATOM 2220 N THR A 453 5.492 5.950 -1.088 1.00 73.22 N ATOM 2221 CA THR A 453 5.381 6.268 0.331 1.00 23.14 C ATOM 2222 C THR A 453 6.590 5.702 1.081 1.00 14.22 C ATOM 2223 O THR A 453 7.339 6.484 1.641 1.00 24.51 O ATOM 2224 CB THR A 453 4.040 5.771 0.960 1.00 73.20 C ATOM 2225 OG1 THR A 453 3.891 4.393 0.705 1.00 14.42 O ATOM 2226 CG2 THR A 453 2.802 6.521 0.417 1.00 32.22 C ATOM 0 H THR A 453 4.784 5.295 -1.421 1.00 73.22 H new ATOM 0 HA THR A 453 5.372 7.354 0.428 1.00 23.14 H new ATOM 0 HB THR A 453 4.095 5.971 2.030 1.00 73.20 H new ATOM 0 HG1 THR A 453 3.385 3.978 1.434 1.00 14.42 H new ATOM 0 HG21 THR A 453 1.902 6.130 0.892 1.00 32.22 H new ATOM 0 HG22 THR A 453 2.896 7.585 0.637 1.00 32.22 H new ATOM 0 HG23 THR A 453 2.734 6.378 -0.661 1.00 32.22 H new ATOM 2234 N SER A 454 6.821 4.363 1.002 1.00 63.22 N ATOM 2235 CA SER A 454 7.963 3.685 1.673 1.00 73.34 C ATOM 2236 C SER A 454 9.316 4.333 1.323 1.00 25.24 C ATOM 2237 O SER A 454 10.232 4.336 2.146 1.00 22.54 O ATOM 2238 CB SER A 454 7.998 2.179 1.330 1.00 11.34 C ATOM 2239 OG SER A 454 8.132 1.961 -0.066 1.00 34.22 O ATOM 0 H SER A 454 6.224 3.727 0.474 1.00 63.22 H new ATOM 0 HA SER A 454 7.804 3.802 2.745 1.00 73.34 H new ATOM 0 HB2 SER A 454 8.829 1.706 1.853 1.00 11.34 H new ATOM 0 HB3 SER A 454 7.084 1.703 1.686 1.00 11.34 H new ATOM 0 HG SER A 454 7.252 2.020 -0.492 1.00 34.22 H new ATOM 2245 N SER A 455 9.414 4.886 0.094 1.00 1.12 N ATOM 2246 CA SER A 455 10.572 5.673 -0.339 1.00 41.23 C ATOM 2247 C SER A 455 10.776 6.907 0.570 1.00 71.21 C ATOM 2248 O SER A 455 11.769 6.984 1.311 1.00 14.24 O ATOM 2249 CB SER A 455 10.405 6.108 -1.809 1.00 23.52 C ATOM 2250 OG SER A 455 11.499 6.886 -2.261 1.00 35.31 O ATOM 0 H SER A 455 8.690 4.795 -0.619 1.00 1.12 H new ATOM 0 HA SER A 455 11.459 5.045 -0.258 1.00 41.23 H new ATOM 0 HB2 SER A 455 10.304 5.224 -2.439 1.00 23.52 H new ATOM 0 HB3 SER A 455 9.484 6.682 -1.915 1.00 23.52 H new ATOM 0 HG SER A 455 11.355 7.140 -3.197 1.00 35.31 H new ATOM 2256 N TYR A 456 9.817 7.869 0.539 1.00 44.44 N ATOM 2257 CA TYR A 456 9.966 9.129 1.301 1.00 34.42 C ATOM 2258 C TYR A 456 9.822 8.916 2.823 1.00 45.13 C ATOM 2259 O TYR A 456 10.300 9.736 3.601 1.00 73.14 O ATOM 2260 CB TYR A 456 9.059 10.287 0.768 1.00 4.32 C ATOM 2261 CG TYR A 456 7.524 10.075 0.689 1.00 24.23 C ATOM 2262 CD1 TYR A 456 6.744 9.798 1.819 1.00 33.34 C ATOM 2263 CD2 TYR A 456 6.842 10.246 -0.529 1.00 43.41 C ATOM 2264 CE1 TYR A 456 5.365 9.701 1.737 1.00 12.20 C ATOM 2265 CE2 TYR A 456 5.464 10.136 -0.609 1.00 35.42 C ATOM 2266 CZ TYR A 456 4.731 9.868 0.525 1.00 64.41 C ATOM 2267 OH TYR A 456 3.356 9.788 0.448 1.00 4.10 O ATOM 0 H TYR A 456 8.951 7.796 0.005 1.00 44.44 H new ATOM 0 HA TYR A 456 10.990 9.459 1.128 1.00 34.42 H new ATOM 0 HB2 TYR A 456 9.237 11.159 1.398 1.00 4.32 H new ATOM 0 HB3 TYR A 456 9.407 10.541 -0.233 1.00 4.32 H new ATOM 0 HD1 TYR A 456 7.228 9.657 2.774 1.00 33.34 H new ATOM 0 HD2 TYR A 456 7.406 10.468 -1.423 1.00 43.41 H new ATOM 0 HE1 TYR A 456 4.785 9.494 2.625 1.00 12.20 H new ATOM 0 HE2 TYR A 456 4.965 10.260 -1.559 1.00 35.42 H new ATOM 0 HH TYR A 456 3.071 9.930 -0.479 1.00 4.10 H new ATOM 2277 N LEU A 457 9.182 7.803 3.231 1.00 13.01 N ATOM 2278 CA LEU A 457 9.019 7.435 4.650 1.00 12.04 C ATOM 2279 C LEU A 457 10.356 6.972 5.243 1.00 43.14 C ATOM 2280 O LEU A 457 10.683 7.357 6.357 1.00 23.44 O ATOM 2281 CB LEU A 457 7.943 6.322 4.858 1.00 15.03 C ATOM 2282 CG LEU A 457 6.452 6.705 4.597 1.00 41.20 C ATOM 2283 CD1 LEU A 457 5.511 5.517 4.909 1.00 74.44 C ATOM 2284 CD2 LEU A 457 6.057 7.964 5.385 1.00 72.24 C ATOM 0 H LEU A 457 8.763 7.134 2.585 1.00 13.01 H new ATOM 0 HA LEU A 457 8.676 8.331 5.168 1.00 12.04 H new ATOM 0 HB2 LEU A 457 8.194 5.485 4.207 1.00 15.03 H new ATOM 0 HB3 LEU A 457 8.024 5.963 5.884 1.00 15.03 H new ATOM 0 HG LEU A 457 6.344 6.938 3.538 1.00 41.20 H new ATOM 0 HD11 LEU A 457 4.479 5.811 4.719 1.00 74.44 H new ATOM 0 HD12 LEU A 457 5.770 4.671 4.273 1.00 74.44 H new ATOM 0 HD13 LEU A 457 5.620 5.232 5.955 1.00 74.44 H new ATOM 0 HD21 LEU A 457 5.014 8.207 5.184 1.00 72.24 H new ATOM 0 HD22 LEU A 457 6.188 7.782 6.452 1.00 72.24 H new ATOM 0 HD23 LEU A 457 6.689 8.798 5.079 1.00 72.24 H new ATOM 2296 N THR A 458 11.119 6.136 4.497 1.00 54.05 N ATOM 2297 CA THR A 458 12.406 5.592 4.990 1.00 14.34 C ATOM 2298 C THR A 458 13.501 6.681 4.998 1.00 72.41 C ATOM 2299 O THR A 458 14.374 6.686 5.873 1.00 71.41 O ATOM 2300 CB THR A 458 12.873 4.323 4.188 1.00 63.03 C ATOM 2301 OG1 THR A 458 13.910 3.646 4.911 1.00 21.44 O ATOM 2302 CG2 THR A 458 13.379 4.637 2.763 1.00 64.22 C ATOM 0 H THR A 458 10.867 5.826 3.558 1.00 54.05 H new ATOM 0 HA THR A 458 12.238 5.267 6.017 1.00 14.34 H new ATOM 0 HB THR A 458 11.990 3.693 4.081 1.00 63.03 H new ATOM 0 HG1 THR A 458 14.197 2.855 4.408 1.00 21.44 H new ATOM 0 HG21 THR A 458 13.683 3.712 2.273 1.00 64.22 H new ATOM 0 HG22 THR A 458 12.580 5.106 2.189 1.00 64.22 H new ATOM 0 HG23 THR A 458 14.231 5.314 2.820 1.00 64.22 H new ATOM 2310 N GLN A 459 13.425 7.613 4.020 1.00 73.34 N ATOM 2311 CA GLN A 459 14.324 8.786 3.945 1.00 2.41 C ATOM 2312 C GLN A 459 14.074 9.734 5.138 1.00 11.31 C ATOM 2313 O GLN A 459 15.011 10.140 5.848 1.00 44.51 O ATOM 2314 CB GLN A 459 14.115 9.536 2.598 1.00 13.00 C ATOM 2315 CG GLN A 459 14.516 8.734 1.346 1.00 63.42 C ATOM 2316 CD GLN A 459 14.204 9.477 0.042 1.00 23.23 C ATOM 2317 OE1 GLN A 459 13.032 9.239 -0.527 1.00 71.33 O flip ATOM 2318 NE2 GLN A 459 15.018 10.259 -0.452 1.00 41.22 N flip ATOM 0 H GLN A 459 12.741 7.573 3.264 1.00 73.34 H new ATOM 0 HA GLN A 459 15.356 8.440 3.994 1.00 2.41 H new ATOM 0 HB2 GLN A 459 13.065 9.816 2.513 1.00 13.00 H new ATOM 0 HB3 GLN A 459 14.691 10.461 2.620 1.00 13.00 H new ATOM 0 HG2 GLN A 459 15.583 8.513 1.387 1.00 63.42 H new ATOM 0 HG3 GLN A 459 13.992 7.778 1.349 1.00 63.42 H new ATOM 0 HE21 GLN A 459 15.913 10.422 0.009 1.00 41.22 H new ATOM 0 HE22 GLN A 459 14.797 10.743 -1.322 1.00 41.22 H new ATOM 2327 N GLN A 460 12.785 10.049 5.366 1.00 13.35 N ATOM 2328 CA GLN A 460 12.353 10.970 6.437 1.00 4.33 C ATOM 2329 C GLN A 460 12.542 10.296 7.816 1.00 41.23 C ATOM 2330 O GLN A 460 12.781 10.975 8.806 1.00 13.32 O ATOM 2331 CB GLN A 460 10.875 11.424 6.186 1.00 64.04 C ATOM 2332 CG GLN A 460 10.485 12.804 6.782 1.00 73.30 C ATOM 2333 CD GLN A 460 10.316 12.818 8.305 1.00 74.43 C ATOM 2334 OE1 GLN A 460 9.869 11.840 8.904 1.00 54.22 O ATOM 2335 NE2 GLN A 460 10.703 13.911 8.944 1.00 11.24 N ATOM 0 H GLN A 460 12.014 9.673 4.814 1.00 13.35 H new ATOM 0 HA GLN A 460 12.970 11.868 6.430 1.00 4.33 H new ATOM 0 HB2 GLN A 460 10.700 11.451 5.110 1.00 64.04 H new ATOM 0 HB3 GLN A 460 10.207 10.668 6.599 1.00 64.04 H new ATOM 0 HG2 GLN A 460 11.249 13.532 6.508 1.00 73.30 H new ATOM 0 HG3 GLN A 460 9.552 13.132 6.323 1.00 73.30 H new ATOM 0 HE21 GLN A 460 11.069 14.706 8.420 1.00 11.24 H new ATOM 0 HE22 GLN A 460 10.635 13.959 9.961 1.00 11.24 H new ATOM 2344 N PHE A 461 12.463 8.944 7.846 1.00 74.21 N ATOM 2345 CA PHE A 461 12.765 8.135 9.048 1.00 13.23 C ATOM 2346 C PHE A 461 14.237 8.305 9.433 1.00 71.21 C ATOM 2347 O PHE A 461 14.548 8.470 10.603 1.00 71.11 O ATOM 2348 CB PHE A 461 12.443 6.635 8.801 1.00 31.41 C ATOM 2349 CG PHE A 461 12.832 5.680 9.934 1.00 34.34 C ATOM 2350 CD1 PHE A 461 12.223 5.766 11.188 1.00 63.50 C ATOM 2351 CD2 PHE A 461 13.810 4.697 9.749 1.00 33.13 C ATOM 2352 CE1 PHE A 461 12.582 4.907 12.210 1.00 74.05 C ATOM 2353 CE2 PHE A 461 14.161 3.841 10.775 1.00 21.11 C ATOM 2354 CZ PHE A 461 13.549 3.947 12.006 1.00 64.13 C ATOM 0 H PHE A 461 12.188 8.386 7.038 1.00 74.21 H new ATOM 0 HA PHE A 461 12.138 8.486 9.868 1.00 13.23 H new ATOM 0 HB2 PHE A 461 11.373 6.537 8.618 1.00 31.41 H new ATOM 0 HB3 PHE A 461 12.952 6.317 7.891 1.00 31.41 H new ATOM 0 HD1 PHE A 461 11.462 6.513 11.361 1.00 63.50 H new ATOM 0 HD2 PHE A 461 14.298 4.606 8.790 1.00 33.13 H new ATOM 0 HE1 PHE A 461 12.102 4.989 13.174 1.00 74.05 H new ATOM 0 HE2 PHE A 461 14.917 3.087 10.612 1.00 21.11 H new ATOM 0 HZ PHE A 461 13.827 3.279 12.808 1.00 64.13 H new ATOM 2364 N THR A 462 15.125 8.280 8.421 1.00 45.30 N ATOM 2365 CA THR A 462 16.571 8.477 8.618 1.00 62.50 C ATOM 2366 C THR A 462 16.858 9.873 9.207 1.00 31.32 C ATOM 2367 O THR A 462 17.737 10.019 10.049 1.00 70.11 O ATOM 2368 CB THR A 462 17.356 8.275 7.281 1.00 33.10 C ATOM 2369 OG1 THR A 462 17.000 7.008 6.711 1.00 51.31 O ATOM 2370 CG2 THR A 462 18.883 8.321 7.473 1.00 24.33 C ATOM 0 H THR A 462 14.860 8.123 7.448 1.00 45.30 H new ATOM 0 HA THR A 462 16.915 7.725 9.328 1.00 62.50 H new ATOM 0 HB THR A 462 17.082 9.097 6.620 1.00 33.10 H new ATOM 0 HG1 THR A 462 16.071 7.039 6.400 1.00 51.31 H new ATOM 0 HG21 THR A 462 19.375 8.175 6.511 1.00 24.33 H new ATOM 0 HG22 THR A 462 19.169 9.289 7.884 1.00 24.33 H new ATOM 0 HG23 THR A 462 19.187 7.531 8.160 1.00 24.33 H new ATOM 2378 N ALA A 463 16.089 10.889 8.765 1.00 2.24 N ATOM 2379 CA ALA A 463 16.198 12.258 9.317 1.00 2.23 C ATOM 2380 C ALA A 463 15.687 12.338 10.778 1.00 13.52 C ATOM 2381 O ALA A 463 16.420 12.748 11.682 1.00 35.01 O ATOM 2382 CB ALA A 463 15.431 13.254 8.436 1.00 51.50 C ATOM 0 H ALA A 463 15.388 10.790 8.031 1.00 2.24 H new ATOM 0 HA ALA A 463 17.256 12.521 9.322 1.00 2.23 H new ATOM 0 HB1 ALA A 463 15.521 14.256 8.856 1.00 51.50 H new ATOM 0 HB2 ALA A 463 15.847 13.244 7.429 1.00 51.50 H new ATOM 0 HB3 ALA A 463 14.379 12.970 8.397 1.00 51.50 H new ATOM 2388 N MET A 464 14.443 11.876 10.992 1.00 42.44 N ATOM 2389 CA MET A 464 13.729 12.010 12.282 1.00 0.20 C ATOM 2390 C MET A 464 14.424 11.199 13.395 1.00 4.11 C ATOM 2391 O MET A 464 14.470 11.626 14.552 1.00 64.34 O ATOM 2392 CB MET A 464 12.260 11.534 12.120 1.00 52.21 C ATOM 2393 CG MET A 464 11.399 11.633 13.391 1.00 51.02 C ATOM 2394 SD MET A 464 9.765 10.904 13.186 1.00 11.42 S ATOM 2395 CE MET A 464 8.994 12.016 12.015 1.00 33.01 C ATOM 0 H MET A 464 13.899 11.397 10.275 1.00 42.44 H new ATOM 0 HA MET A 464 13.744 13.061 12.571 1.00 0.20 H new ATOM 0 HB2 MET A 464 11.788 12.123 11.333 1.00 52.21 H new ATOM 0 HB3 MET A 464 12.265 10.497 11.783 1.00 52.21 H new ATOM 0 HG2 MET A 464 11.914 11.135 14.213 1.00 51.02 H new ATOM 0 HG3 MET A 464 11.292 12.681 13.671 1.00 51.02 H new ATOM 0 HE1 MET A 464 8.436 11.438 11.278 1.00 33.01 H new ATOM 0 HE2 MET A 464 8.314 12.685 12.542 1.00 33.01 H new ATOM 0 HE3 MET A 464 9.762 12.603 11.511 1.00 33.01 H new ATOM 2405 N ASN A 465 14.989 10.050 13.004 1.00 71.33 N ATOM 2406 CA ASN A 465 15.698 9.139 13.916 1.00 64.14 C ATOM 2407 C ASN A 465 17.135 9.662 14.145 1.00 11.33 C ATOM 2408 O ASN A 465 17.510 9.949 15.285 1.00 2.45 O ATOM 2409 CB ASN A 465 15.665 7.694 13.334 1.00 73.44 C ATOM 2410 CG ASN A 465 16.313 6.620 14.214 1.00 21.43 C ATOM 2411 OD1 ASN A 465 16.467 6.783 15.419 1.00 25.12 O ATOM 2412 ND2 ASN A 465 16.641 5.485 13.613 1.00 21.00 N ATOM 0 H ASN A 465 14.968 9.722 12.038 1.00 71.33 H new ATOM 0 HA ASN A 465 15.208 9.104 14.889 1.00 64.14 H new ATOM 0 HB2 ASN A 465 14.627 7.416 13.155 1.00 73.44 H new ATOM 0 HB3 ASN A 465 16.166 7.698 12.366 1.00 73.44 H new ATOM 0 HD21 ASN A 465 17.034 4.716 14.155 1.00 21.00 H new ATOM 0 HD22 ASN A 465 16.500 5.381 12.608 1.00 21.00 H new ATOM 2419 N LYS A 466 17.932 9.792 13.057 1.00 33.10 N ATOM 2420 CA LYS A 466 19.309 10.347 13.124 1.00 34.42 C ATOM 2421 C LYS A 466 19.496 11.558 12.154 1.00 63.43 C ATOM 2422 O LYS A 466 20.015 11.404 11.045 1.00 22.31 O ATOM 2423 CB LYS A 466 20.386 9.218 12.889 1.00 44.23 C ATOM 2424 CG LYS A 466 20.276 8.405 11.559 1.00 43.04 C ATOM 2425 CD LYS A 466 19.244 7.248 11.590 1.00 4.41 C ATOM 2426 CE LYS A 466 19.683 6.080 12.493 1.00 13.41 C ATOM 2427 NZ LYS A 466 20.957 5.458 12.035 1.00 0.02 N ATOM 0 H LYS A 466 17.644 9.519 12.117 1.00 33.10 H new ATOM 0 HA LYS A 466 19.463 10.735 14.131 1.00 34.42 H new ATOM 0 HB2 LYS A 466 21.374 9.678 12.925 1.00 44.23 H new ATOM 0 HB3 LYS A 466 20.330 8.517 13.721 1.00 44.23 H new ATOM 0 HG2 LYS A 466 20.011 9.088 10.752 1.00 43.04 H new ATOM 0 HG3 LYS A 466 21.256 7.993 11.319 1.00 43.04 H new ATOM 0 HD2 LYS A 466 18.286 7.631 11.940 1.00 4.41 H new ATOM 0 HD3 LYS A 466 19.088 6.879 10.576 1.00 4.41 H new ATOM 0 HE2 LYS A 466 19.804 6.439 13.515 1.00 13.41 H new ATOM 0 HE3 LYS A 466 18.898 5.324 12.512 1.00 13.41 H new ATOM 0 HZ1 LYS A 466 21.099 4.553 12.528 1.00 0.02 H new ATOM 0 HZ2 LYS A 466 20.912 5.290 11.010 1.00 0.02 H new ATOM 0 HZ3 LYS A 466 21.751 6.096 12.247 1.00 0.02 H new ATOM 2441 N SER A 467 18.982 12.747 12.554 1.00 31.42 N ATOM 2442 CA SER A 467 19.305 14.044 11.906 1.00 73.14 C ATOM 2443 C SER A 467 20.831 14.229 11.674 1.00 15.44 C ATOM 2444 O SER A 467 21.564 14.514 12.643 1.00 0.14 O ATOM 2445 CB SER A 467 18.730 15.207 12.759 1.00 23.22 C ATOM 2446 OG SER A 467 17.325 15.103 12.873 1.00 30.30 O ATOM 2447 OXT SER A 467 21.289 14.082 10.514 1.00 37.75 O ATOM 0 H SER A 467 18.332 12.835 13.335 1.00 31.42 H new ATOM 0 HA SER A 467 18.841 14.050 10.920 1.00 73.14 H new ATOM 0 HB2 SER A 467 19.181 15.193 13.751 1.00 23.22 H new ATOM 0 HB3 SER A 467 18.992 16.162 12.303 1.00 23.22 H new ATOM 0 HG SER A 467 17.021 14.281 12.435 1.00 30.30 H new