USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 984 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: B 41 TYR OH : rot 74:sc= 0.854 USER MOD Set 1.2: B 74 HIS : no HE2:sc= 1.23 K(o=2.1,f=-5.3!) USER MOD Set 2.1: A 51 LYS NZ :NH3+ -148:sc= 1.26 (180deg=0) USER MOD Set 2.2: A 61 GLN : amide:sc= 0.639 K(o=1.9,f=-11!) USER MOD Set 3.1: A 24 MET CE :methyl 151:sc= -0.678 (180deg=-0.438) USER MOD Set 3.2: A 27 TYR OH : rot 15:sc= 0.738 USER MOD Set 3.3: A 60 HIS : no HE2:sc= -1.13 K(o=-1.1,f=-12!) USER MOD Single : A 14 THR OG1 : rot -70:sc= 1.29 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0834 USER MOD Single : A 21 SER OG : rot -87:sc= 1.19 USER MOD Single : A 23 LYS NZ :NH3+ 170:sc= 1.66 (180deg=1.27) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.0181 F(o=-1,f=-0.018) USER MOD Single : A 26 GLN : amide:sc= 0.987 K(o=0.99,f=-7.2!) USER MOD Single : A 28 THR OG1 : rot 99:sc= 1.26 USER MOD Single : A 30 HIS : no HE2:sc= 0.176 K(o=0.18,f=-1.7) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot -138:sc= 1.06 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0685 USER MOD Single : A 41 LYS NZ :NH3+ 138:sc= 1.08 (180deg=-0.318) USER MOD Single : A 44 GLN : amide:sc= -0.039 X(o=-0.039,f=-0.5) USER MOD Single : A 45 MET CE :methyl -123:sc= -1.51 (180deg=-3.72) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0424 USER MOD Single : A 47 ASN : amide:sc=-0.00155 X(o=-0.0016,f=-0.16) USER MOD Single : A 62 LYS NZ :NH3+ 160:sc= 1.28 (180deg=0.344!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 81:sc= -1.91! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.215 K(o=-0.22,f=-3.3!) USER MOD Single : A 76 ASN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 77 THR OG1 : rot 67:sc= 1.22 USER MOD Single : B 29 MET CE :methyl -164:sc= -0.471 (180deg=-0.705) USER MOD Single : B 30 SER OG : rot 180:sc= 0.139 USER MOD Single : B 47 HIS : no HD1:sc= -0.175 X(o=-0.17,f=0.027) USER MOD Single : B 48 ASN : amide:sc= -0.465 K(o=-0.47,f=-3.1!) USER MOD Single : B 57 SER OG : rot 96:sc= 1.27 USER MOD Single : B 60 THR OG1 : rot -75:sc= 1.83 USER MOD Single : B 70 GLN : amide:sc= 1.22 K(o=1.2,f=-0.045) USER MOD Single : B 75 LYS NZ :NH3+ 155:sc= 1.2 (180deg=1.1) USER MOD Single : B 81 THR OG1 : rot 78:sc= 0.66 USER MOD Single : B 83 GLN : amide:sc= -0.112 K(o=-0.11,f=-0.93) USER MOD Single : B 85 SER OG : rot -119:sc= 0.566 USER MOD Single : B 86 LYS NZ :NH3+ -144:sc= 1.02 (180deg=-1.48!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -15.494 -6.877 8.691 1.00 0.00 N ATOM 2 CA THR A 14 -15.915 -5.464 8.774 1.00 0.00 C ATOM 3 C THR A 14 -15.075 -4.596 7.844 1.00 0.00 C ATOM 4 O THR A 14 -14.058 -5.046 7.311 1.00 0.00 O ATOM 5 CB THR A 14 -15.765 -4.925 10.210 1.00 0.00 C ATOM 6 OG1 THR A 14 -14.394 -5.017 10.625 1.00 0.00 O ATOM 7 CG2 THR A 14 -16.646 -5.696 11.180 1.00 0.00 C ATOM 0 HA THR A 14 -16.963 -5.422 8.476 1.00 0.00 H new ATOM 0 HB THR A 14 -16.080 -3.882 10.215 1.00 0.00 H new ATOM 0 HG1 THR A 14 -14.154 -5.958 10.755 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.519 -5.294 12.185 1.00 0.00 H new ATOM 0 HG22 THR A 14 -17.689 -5.600 10.879 1.00 0.00 H new ATOM 0 HG23 THR A 14 -16.362 -6.748 11.172 1.00 0.00 H new ATOM 15 N VAL A 15 -15.514 -3.357 7.649 1.00 0.00 N ATOM 16 CA VAL A 15 -14.794 -2.410 6.808 1.00 0.00 C ATOM 17 C VAL A 15 -13.440 -2.088 7.435 1.00 0.00 C ATOM 18 O VAL A 15 -12.434 -1.960 6.737 1.00 0.00 O ATOM 19 CB VAL A 15 -15.594 -1.104 6.597 1.00 0.00 C ATOM 20 CG1 VAL A 15 -14.825 -0.128 5.717 1.00 0.00 C ATOM 21 CG2 VAL A 15 -16.956 -1.403 5.992 1.00 0.00 C ATOM 0 H VAL A 15 -16.368 -2.985 8.064 1.00 0.00 H new ATOM 0 HA VAL A 15 -14.651 -2.875 5.832 1.00 0.00 H new ATOM 0 HB VAL A 15 -15.741 -0.639 7.572 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.411 0.782 5.585 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -13.875 0.118 6.191 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -14.639 -0.584 4.745 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.504 -0.471 5.851 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -16.826 -1.897 5.029 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -17.516 -2.056 6.662 1.00 0.00 H new ATOM 31 N SER A 16 -13.421 -1.994 8.760 1.00 0.00 N ATOM 32 CA SER A 16 -12.202 -1.700 9.496 1.00 0.00 C ATOM 33 C SER A 16 -11.134 -2.764 9.231 1.00 0.00 C ATOM 34 O SER A 16 -9.979 -2.436 8.978 1.00 0.00 O ATOM 35 CB SER A 16 -12.515 -1.613 10.988 1.00 0.00 C ATOM 36 OG SER A 16 -13.851 -1.174 11.196 1.00 0.00 O ATOM 0 H SER A 16 -14.245 -2.119 9.348 1.00 0.00 H new ATOM 0 HA SER A 16 -11.808 -0.742 9.157 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.371 -2.589 11.452 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.821 -0.925 11.471 1.00 0.00 H new ATOM 0 HG SER A 16 -14.034 -1.126 12.158 1.00 0.00 H new ATOM 42 N GLU A 17 -11.543 -4.034 9.254 1.00 0.00 N ATOM 43 CA GLU A 17 -10.627 -5.155 9.010 1.00 0.00 C ATOM 44 C GLU A 17 -9.987 -5.058 7.629 1.00 0.00 C ATOM 45 O GLU A 17 -8.843 -5.472 7.422 1.00 0.00 O ATOM 46 CB GLU A 17 -11.373 -6.482 9.112 1.00 0.00 C ATOM 47 CG GLU A 17 -11.654 -6.930 10.532 1.00 0.00 C ATOM 48 CD GLU A 17 -12.719 -7.999 10.580 1.00 0.00 C ATOM 49 OE1 GLU A 17 -12.377 -9.196 10.477 1.00 0.00 O ATOM 50 OE2 GLU A 17 -13.908 -7.644 10.694 1.00 0.00 O ATOM 0 H GLU A 17 -12.506 -4.315 9.440 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.845 -5.107 9.768 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.318 -6.396 8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.790 -7.253 8.608 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.737 -7.310 10.982 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.971 -6.074 11.128 1.00 0.00 H new ATOM 57 N TRP A 18 -10.738 -4.510 6.691 1.00 0.00 N ATOM 58 CA TRP A 18 -10.278 -4.359 5.322 1.00 0.00 C ATOM 59 C TRP A 18 -9.307 -3.185 5.200 1.00 0.00 C ATOM 60 O TRP A 18 -8.410 -3.196 4.360 1.00 0.00 O ATOM 61 CB TRP A 18 -11.488 -4.154 4.408 1.00 0.00 C ATOM 62 CG TRP A 18 -11.145 -4.041 2.959 1.00 0.00 C ATOM 63 CD1 TRP A 18 -10.744 -5.047 2.130 1.00 0.00 C ATOM 64 CD2 TRP A 18 -11.180 -2.853 2.164 1.00 0.00 C ATOM 65 NE1 TRP A 18 -10.523 -4.555 0.868 1.00 0.00 N ATOM 66 CE2 TRP A 18 -10.785 -3.211 0.864 1.00 0.00 C ATOM 67 CE3 TRP A 18 -11.506 -1.519 2.427 1.00 0.00 C ATOM 68 CZ2 TRP A 18 -10.709 -2.285 -0.171 1.00 0.00 C ATOM 69 CZ3 TRP A 18 -11.431 -0.600 1.400 1.00 0.00 C ATOM 70 CH2 TRP A 18 -11.035 -0.987 0.113 1.00 0.00 C ATOM 0 H TRP A 18 -11.681 -4.158 6.856 1.00 0.00 H new ATOM 0 HA TRP A 18 -9.744 -5.261 5.022 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -12.177 -4.987 4.543 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -12.015 -3.251 4.717 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -10.619 -6.079 2.423 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -10.214 -5.101 0.064 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -11.811 -1.213 3.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -10.403 -2.580 -1.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -11.681 0.433 1.591 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -10.986 -0.246 -0.671 1.00 0.00 H new ATOM 81 N LEU A 19 -9.480 -2.187 6.058 1.00 0.00 N ATOM 82 CA LEU A 19 -8.631 -1.004 6.031 1.00 0.00 C ATOM 83 C LEU A 19 -7.406 -1.146 6.940 1.00 0.00 C ATOM 84 O LEU A 19 -6.385 -0.498 6.710 1.00 0.00 O ATOM 85 CB LEU A 19 -9.447 0.233 6.422 1.00 0.00 C ATOM 86 CG LEU A 19 -10.407 0.739 5.342 1.00 0.00 C ATOM 87 CD1 LEU A 19 -11.392 1.738 5.925 1.00 0.00 C ATOM 88 CD2 LEU A 19 -9.630 1.363 4.191 1.00 0.00 C ATOM 0 H LEU A 19 -10.200 -2.174 6.780 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.260 -0.889 5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.021 0.003 7.319 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.759 1.037 6.682 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.971 -0.111 4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.065 2.085 5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.971 1.259 6.715 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.848 2.587 6.338 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.327 1.718 3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.040 2.201 4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.966 0.617 3.754 1.00 0.00 H new ATOM 100 N GLU A 20 -7.493 -1.995 7.956 1.00 0.00 N ATOM 101 CA GLU A 20 -6.376 -2.181 8.879 1.00 0.00 C ATOM 102 C GLU A 20 -5.272 -3.041 8.262 1.00 0.00 C ATOM 103 O GLU A 20 -4.090 -2.731 8.404 1.00 0.00 O ATOM 104 CB GLU A 20 -6.856 -2.776 10.212 1.00 0.00 C ATOM 105 CG GLU A 20 -7.561 -4.120 10.098 1.00 0.00 C ATOM 106 CD GLU A 20 -6.705 -5.274 10.571 1.00 0.00 C ATOM 107 OE1 GLU A 20 -6.458 -5.374 11.784 1.00 0.00 O ATOM 108 OE2 GLU A 20 -6.286 -6.094 9.727 1.00 0.00 O ATOM 0 H GLU A 20 -8.316 -2.561 8.162 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.951 -1.197 9.080 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.997 -2.888 10.873 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.533 -2.066 10.687 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.481 -4.093 10.682 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.847 -4.288 9.060 1.00 0.00 H new ATOM 115 N SER A 21 -5.662 -4.104 7.567 1.00 0.00 N ATOM 116 CA SER A 21 -4.715 -5.024 6.928 1.00 0.00 C ATOM 117 C SER A 21 -3.767 -4.341 5.955 1.00 0.00 C ATOM 118 O SER A 21 -2.608 -4.744 5.831 1.00 0.00 O ATOM 119 CB SER A 21 -5.469 -6.113 6.181 1.00 0.00 C ATOM 120 OG SER A 21 -6.730 -5.644 5.729 1.00 0.00 O ATOM 0 H SER A 21 -6.641 -4.356 7.428 1.00 0.00 H new ATOM 0 HA SER A 21 -4.114 -5.442 7.735 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.877 -6.451 5.330 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.611 -6.975 6.834 1.00 0.00 H new ATOM 0 HG SER A 21 -7.398 -5.771 6.434 1.00 0.00 H new ATOM 126 N ILE A 22 -4.234 -3.294 5.299 1.00 0.00 N ATOM 127 CA ILE A 22 -3.415 -2.610 4.319 1.00 0.00 C ATOM 128 C ILE A 22 -2.806 -1.372 4.952 1.00 0.00 C ATOM 129 O ILE A 22 -2.087 -0.611 4.302 1.00 0.00 O ATOM 130 CB ILE A 22 -4.236 -2.216 3.076 1.00 0.00 C ATOM 131 CG1 ILE A 22 -5.556 -1.556 3.494 1.00 0.00 C ATOM 132 CG2 ILE A 22 -4.488 -3.445 2.221 1.00 0.00 C ATOM 133 CD1 ILE A 22 -6.390 -1.074 2.329 1.00 0.00 C ATOM 0 H ILE A 22 -5.167 -2.903 5.426 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.626 -3.288 3.994 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.673 -1.492 2.487 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.140 -2.269 4.077 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.339 -0.711 4.148 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.069 -3.164 1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.535 -3.870 1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.041 -4.184 2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.308 -0.619 2.702 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.826 -0.337 1.758 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.639 -1.918 1.686 1.00 0.00 H new ATOM 145 N LYS A 23 -3.112 -1.185 6.234 1.00 0.00 N ATOM 146 CA LYS A 23 -2.622 -0.052 7.007 1.00 0.00 C ATOM 147 C LYS A 23 -3.105 1.280 6.427 1.00 0.00 C ATOM 148 O LYS A 23 -2.320 2.200 6.225 1.00 0.00 O ATOM 149 CB LYS A 23 -1.092 -0.090 7.085 1.00 0.00 C ATOM 150 CG LYS A 23 -0.550 -1.247 7.914 1.00 0.00 C ATOM 151 CD LYS A 23 -0.977 -1.142 9.369 1.00 0.00 C ATOM 152 CE LYS A 23 -0.323 -2.215 10.228 1.00 0.00 C ATOM 153 NZ LYS A 23 1.121 -1.945 10.456 1.00 0.00 N ATOM 0 H LYS A 23 -3.709 -1.819 6.765 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.029 -0.131 8.015 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.687 -0.157 6.075 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.735 0.848 7.510 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.904 -2.190 7.498 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.538 -1.260 7.854 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.714 -0.157 9.755 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.061 -1.232 9.437 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.836 -2.273 11.188 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.438 -3.185 9.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.487 -2.599 11.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.644 -2.082 9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.244 -0.965 10.783 1.00 0.00 H new ATOM 167 N MET A 24 -4.403 1.372 6.164 1.00 0.00 N ATOM 168 CA MET A 24 -4.998 2.595 5.626 1.00 0.00 C ATOM 169 C MET A 24 -6.240 2.944 6.434 1.00 0.00 C ATOM 170 O MET A 24 -7.267 3.343 5.890 1.00 0.00 O ATOM 171 CB MET A 24 -5.361 2.428 4.144 1.00 0.00 C ATOM 172 CG MET A 24 -4.228 1.884 3.287 1.00 0.00 C ATOM 173 SD MET A 24 -3.457 3.148 2.257 1.00 0.00 S ATOM 174 CE MET A 24 -2.565 4.104 3.482 1.00 0.00 C ATOM 0 H MET A 24 -5.068 0.613 6.314 1.00 0.00 H new ATOM 0 HA MET A 24 -4.270 3.402 5.701 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.217 1.759 4.064 1.00 0.00 H new ATOM 0 HB3 MET A 24 -5.673 3.394 3.746 1.00 0.00 H new ATOM 0 HG2 MET A 24 -3.472 1.439 3.934 1.00 0.00 H new ATOM 0 HG3 MET A 24 -4.612 1.087 2.650 1.00 0.00 H new ATOM 0 HE1 MET A 24 -1.683 4.552 3.023 1.00 0.00 H new ATOM 0 HE2 MET A 24 -3.211 4.891 3.870 1.00 0.00 H new ATOM 0 HE3 MET A 24 -2.257 3.452 4.299 1.00 0.00 H new ATOM 184 N GLN A 25 -6.116 2.807 7.747 1.00 0.00 N ATOM 185 CA GLN A 25 -7.221 3.041 8.668 1.00 0.00 C ATOM 186 C GLN A 25 -7.740 4.473 8.651 1.00 0.00 C ATOM 187 O GLN A 25 -8.898 4.705 8.995 1.00 0.00 O ATOM 188 CB GLN A 25 -6.800 2.674 10.089 1.00 0.00 C ATOM 189 CG GLN A 25 -5.967 1.406 10.173 1.00 0.00 C ATOM 190 CD GLN A 25 -5.659 0.995 11.601 1.00 0.00 C ATOM 191 OE1 GLN A 25 -6.607 1.203 12.505 1.00 0.00 O flip ATOM 192 NE2 GLN A 25 -4.578 0.486 11.888 1.00 0.00 N flip ATOM 0 H GLN A 25 -5.247 2.531 8.204 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.039 2.405 8.329 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.231 3.501 10.514 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.693 2.553 10.703 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.497 0.595 9.673 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.032 1.555 9.634 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.874 0.342 11.164 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.385 0.207 12.850 1.00 0.00 H new ATOM 201 N GLN A 26 -6.922 5.446 8.263 1.00 0.00 N ATOM 202 CA GLN A 26 -7.351 6.841 8.244 1.00 0.00 C ATOM 203 C GLN A 26 -8.323 7.138 7.100 1.00 0.00 C ATOM 204 O GLN A 26 -8.781 8.272 6.941 1.00 0.00 O ATOM 205 CB GLN A 26 -6.127 7.760 8.131 1.00 0.00 C ATOM 206 CG GLN A 26 -5.282 7.540 6.878 1.00 0.00 C ATOM 207 CD GLN A 26 -4.156 6.537 7.072 1.00 0.00 C ATOM 208 OE1 GLN A 26 -4.320 5.520 7.740 1.00 0.00 O ATOM 209 NE2 GLN A 26 -3.001 6.828 6.501 1.00 0.00 N ATOM 0 H GLN A 26 -5.960 5.295 7.958 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.879 7.029 9.179 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.464 8.796 8.149 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.497 7.614 9.009 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.928 7.197 6.070 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.858 8.494 6.564 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.904 7.683 5.953 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.206 6.198 6.608 1.00 0.00 H new ATOM 218 N TYR A 27 -8.625 6.135 6.292 1.00 0.00 N ATOM 219 CA TYR A 27 -9.550 6.327 5.187 1.00 0.00 C ATOM 220 C TYR A 27 -10.964 5.938 5.595 1.00 0.00 C ATOM 221 O TYR A 27 -11.908 6.087 4.818 1.00 0.00 O ATOM 222 CB TYR A 27 -9.101 5.540 3.955 1.00 0.00 C ATOM 223 CG TYR A 27 -7.902 6.148 3.253 1.00 0.00 C ATOM 224 CD1 TYR A 27 -7.735 7.528 3.177 1.00 0.00 C ATOM 225 CD2 TYR A 27 -6.935 5.340 2.671 1.00 0.00 C ATOM 226 CE1 TYR A 27 -6.642 8.080 2.538 1.00 0.00 C ATOM 227 CE2 TYR A 27 -5.839 5.886 2.031 1.00 0.00 C ATOM 228 CZ TYR A 27 -5.697 7.255 1.970 1.00 0.00 C ATOM 229 OH TYR A 27 -4.611 7.802 1.327 1.00 0.00 O ATOM 0 H TYR A 27 -8.249 5.191 6.378 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.551 7.385 4.926 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.859 4.520 4.254 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.931 5.477 3.251 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.472 8.178 3.625 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.041 4.266 2.719 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.529 9.153 2.484 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.097 5.243 1.581 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.534 8.750 1.564 1.00 0.00 H new ATOM 239 N THR A 28 -11.110 5.449 6.822 1.00 0.00 N ATOM 240 CA THR A 28 -12.414 5.066 7.339 1.00 0.00 C ATOM 241 C THR A 28 -13.312 6.298 7.419 1.00 0.00 C ATOM 242 O THR A 28 -14.487 6.264 7.044 1.00 0.00 O ATOM 243 CB THR A 28 -12.296 4.415 8.734 1.00 0.00 C ATOM 244 OG1 THR A 28 -11.213 3.477 8.745 1.00 0.00 O ATOM 245 CG2 THR A 28 -13.584 3.700 9.112 1.00 0.00 C ATOM 0 H THR A 28 -10.339 5.309 7.475 1.00 0.00 H new ATOM 0 HA THR A 28 -12.849 4.333 6.660 1.00 0.00 H new ATOM 0 HB THR A 28 -12.108 5.205 9.461 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.422 3.895 9.146 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.474 3.250 10.099 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.406 4.416 9.129 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.796 2.921 8.380 1.00 0.00 H new ATOM 253 N GLU A 29 -12.715 7.408 7.843 1.00 0.00 N ATOM 254 CA GLU A 29 -13.413 8.677 7.970 1.00 0.00 C ATOM 255 C GLU A 29 -13.347 9.413 6.638 1.00 0.00 C ATOM 256 O GLU A 29 -13.125 10.619 6.578 1.00 0.00 O ATOM 257 CB GLU A 29 -12.781 9.532 9.074 1.00 0.00 C ATOM 258 CG GLU A 29 -12.392 8.743 10.316 1.00 0.00 C ATOM 259 CD GLU A 29 -10.948 8.273 10.297 1.00 0.00 C ATOM 260 OE1 GLU A 29 -10.572 7.510 9.385 1.00 0.00 O ATOM 261 OE2 GLU A 29 -10.187 8.650 11.216 1.00 0.00 O ATOM 0 H GLU A 29 -11.731 7.450 8.108 1.00 0.00 H new ATOM 0 HA GLU A 29 -14.453 8.490 8.238 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.894 10.025 8.676 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.482 10.317 9.358 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.554 9.363 11.198 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.048 7.878 10.409 1.00 0.00 H new ATOM 268 N HIS A 30 -13.584 8.658 5.576 1.00 0.00 N ATOM 269 CA HIS A 30 -13.540 9.164 4.212 1.00 0.00 C ATOM 270 C HIS A 30 -14.439 8.290 3.355 1.00 0.00 C ATOM 271 O HIS A 30 -15.364 8.766 2.705 1.00 0.00 O ATOM 272 CB HIS A 30 -12.107 9.145 3.647 1.00 0.00 C ATOM 273 CG HIS A 30 -11.220 10.247 4.157 1.00 0.00 C ATOM 274 ND1 HIS A 30 -10.254 10.076 5.130 1.00 0.00 N ATOM 275 CD2 HIS A 30 -11.153 11.555 3.795 1.00 0.00 C ATOM 276 CE1 HIS A 30 -9.650 11.255 5.323 1.00 0.00 C ATOM 277 NE2 HIS A 30 -10.156 12.185 4.539 1.00 0.00 N ATOM 0 H HIS A 30 -13.815 7.666 5.637 1.00 0.00 H new ATOM 0 HA HIS A 30 -13.881 10.199 4.205 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -11.648 8.186 3.887 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -12.158 9.210 2.560 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -10.039 9.205 5.616 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -11.773 12.031 3.050 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -8.851 11.422 6.030 1.00 0.00 H new ATOM 285 N PHE A 31 -14.174 6.989 3.404 1.00 0.00 N ATOM 286 CA PHE A 31 -14.947 6.006 2.656 1.00 0.00 C ATOM 287 C PHE A 31 -16.374 5.937 3.184 1.00 0.00 C ATOM 288 O PHE A 31 -17.332 5.866 2.416 1.00 0.00 O ATOM 289 CB PHE A 31 -14.296 4.621 2.768 1.00 0.00 C ATOM 290 CG PHE A 31 -13.148 4.394 1.822 1.00 0.00 C ATOM 291 CD1 PHE A 31 -12.021 5.199 1.860 1.00 0.00 C ATOM 292 CD2 PHE A 31 -13.199 3.364 0.899 1.00 0.00 C ATOM 293 CE1 PHE A 31 -10.969 4.982 0.990 1.00 0.00 C ATOM 294 CE2 PHE A 31 -12.151 3.143 0.027 1.00 0.00 C ATOM 295 CZ PHE A 31 -11.035 3.953 0.073 1.00 0.00 C ATOM 0 H PHE A 31 -13.420 6.588 3.961 1.00 0.00 H new ATOM 0 HA PHE A 31 -14.967 6.312 1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -13.942 4.481 3.789 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -15.056 3.860 2.587 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.964 6.005 2.577 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -14.069 2.725 0.860 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -10.096 5.617 1.028 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -12.205 2.337 -0.690 1.00 0.00 H new ATOM 0 HZ PHE A 31 -10.214 3.782 -0.608 1.00 0.00 H new ATOM 305 N MET A 32 -16.507 6.008 4.504 1.00 0.00 N ATOM 306 CA MET A 32 -17.811 5.927 5.149 1.00 0.00 C ATOM 307 C MET A 32 -18.579 7.234 5.009 1.00 0.00 C ATOM 308 O MET A 32 -19.794 7.278 5.207 1.00 0.00 O ATOM 309 CB MET A 32 -17.659 5.575 6.627 1.00 0.00 C ATOM 310 CG MET A 32 -17.180 4.154 6.870 1.00 0.00 C ATOM 311 SD MET A 32 -17.832 3.462 8.402 1.00 0.00 S ATOM 312 CE MET A 32 -17.147 1.809 8.342 1.00 0.00 C ATOM 0 H MET A 32 -15.725 6.122 5.149 1.00 0.00 H new ATOM 0 HA MET A 32 -18.376 5.139 4.650 1.00 0.00 H new ATOM 0 HB2 MET A 32 -16.956 6.270 7.086 1.00 0.00 H new ATOM 0 HB3 MET A 32 -18.618 5.716 7.126 1.00 0.00 H new ATOM 0 HG2 MET A 32 -17.481 3.524 6.033 1.00 0.00 H new ATOM 0 HG3 MET A 32 -16.091 4.141 6.903 1.00 0.00 H new ATOM 0 HE1 MET A 32 -17.461 1.253 9.225 1.00 0.00 H new ATOM 0 HE2 MET A 32 -17.503 1.300 7.447 1.00 0.00 H new ATOM 0 HE3 MET A 32 -16.059 1.867 8.318 1.00 0.00 H new ATOM 322 N ALA A 33 -17.879 8.297 4.640 1.00 0.00 N ATOM 323 CA ALA A 33 -18.508 9.599 4.475 1.00 0.00 C ATOM 324 C ALA A 33 -19.109 9.714 3.081 1.00 0.00 C ATOM 325 O ALA A 33 -20.016 10.509 2.839 1.00 0.00 O ATOM 326 CB ALA A 33 -17.495 10.707 4.715 1.00 0.00 C ATOM 0 H ALA A 33 -16.877 8.284 4.450 1.00 0.00 H new ATOM 0 HA ALA A 33 -19.308 9.702 5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.978 11.676 4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -17.102 10.627 5.729 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.677 10.613 4.000 1.00 0.00 H new ATOM 332 N ALA A 34 -18.596 8.892 2.173 1.00 0.00 N ATOM 333 CA ALA A 34 -19.065 8.873 0.797 1.00 0.00 C ATOM 334 C ALA A 34 -20.260 7.938 0.648 1.00 0.00 C ATOM 335 O ALA A 34 -20.793 7.761 -0.448 1.00 0.00 O ATOM 336 CB ALA A 34 -17.939 8.455 -0.134 1.00 0.00 C ATOM 0 H ALA A 34 -17.849 8.226 2.370 1.00 0.00 H new ATOM 0 HA ALA A 34 -19.386 9.879 0.526 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -18.302 8.444 -1.162 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -17.114 9.162 -0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -17.592 7.458 0.139 1.00 0.00 H new ATOM 342 N GLY A 35 -20.669 7.332 1.755 1.00 0.00 N ATOM 343 CA GLY A 35 -21.803 6.434 1.732 1.00 0.00 C ATOM 344 C GLY A 35 -21.401 4.975 1.764 1.00 0.00 C ATOM 345 O GLY A 35 -22.252 4.096 1.911 1.00 0.00 O ATOM 0 H GLY A 35 -20.233 7.448 2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -22.446 6.647 2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -22.392 6.624 0.835 1.00 0.00 H new ATOM 349 N TYR A 36 -20.109 4.701 1.640 1.00 0.00 N ATOM 350 CA TYR A 36 -19.623 3.331 1.655 1.00 0.00 C ATOM 351 C TYR A 36 -19.319 2.906 3.089 1.00 0.00 C ATOM 352 O TYR A 36 -18.163 2.827 3.503 1.00 0.00 O ATOM 353 CB TYR A 36 -18.381 3.197 0.765 1.00 0.00 C ATOM 354 CG TYR A 36 -18.572 3.787 -0.620 1.00 0.00 C ATOM 355 CD1 TYR A 36 -19.426 3.188 -1.537 1.00 0.00 C ATOM 356 CD2 TYR A 36 -17.907 4.946 -1.006 1.00 0.00 C ATOM 357 CE1 TYR A 36 -19.615 3.725 -2.796 1.00 0.00 C ATOM 358 CE2 TYR A 36 -18.089 5.489 -2.267 1.00 0.00 C ATOM 359 CZ TYR A 36 -18.945 4.875 -3.158 1.00 0.00 C ATOM 360 OH TYR A 36 -19.142 5.413 -4.411 1.00 0.00 O ATOM 0 H TYR A 36 -19.382 5.408 1.528 1.00 0.00 H new ATOM 0 HA TYR A 36 -20.394 2.672 1.256 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -17.539 3.691 1.250 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -18.121 2.143 0.671 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -19.952 2.286 -1.261 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -17.238 5.431 -0.311 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -20.285 3.246 -3.494 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -17.563 6.389 -2.551 1.00 0.00 H new ATOM 0 HH TYR A 36 -18.282 5.703 -4.782 1.00 0.00 H new ATOM 370 N THR A 37 -20.377 2.650 3.848 1.00 0.00 N ATOM 371 CA THR A 37 -20.259 2.255 5.242 1.00 0.00 C ATOM 372 C THR A 37 -20.262 0.736 5.409 1.00 0.00 C ATOM 373 O THR A 37 -20.261 0.229 6.532 1.00 0.00 O ATOM 374 CB THR A 37 -21.422 2.849 6.055 1.00 0.00 C ATOM 375 OG1 THR A 37 -22.560 3.028 5.197 1.00 0.00 O ATOM 376 CG2 THR A 37 -21.031 4.182 6.671 1.00 0.00 C ATOM 0 H THR A 37 -21.339 2.711 3.513 1.00 0.00 H new ATOM 0 HA THR A 37 -19.306 2.637 5.607 1.00 0.00 H new ATOM 0 HB THR A 37 -21.670 2.159 6.862 1.00 0.00 H new ATOM 0 HG1 THR A 37 -23.303 3.405 5.713 1.00 0.00 H new ATOM 0 HG21 THR A 37 -21.871 4.580 7.240 1.00 0.00 H new ATOM 0 HG22 THR A 37 -20.178 4.040 7.334 1.00 0.00 H new ATOM 0 HG23 THR A 37 -20.763 4.883 5.881 1.00 0.00 H new ATOM 384 N ALA A 38 -20.249 0.012 4.298 1.00 0.00 N ATOM 385 CA ALA A 38 -20.263 -1.442 4.339 1.00 0.00 C ATOM 386 C ALA A 38 -19.537 -2.023 3.130 1.00 0.00 C ATOM 387 O ALA A 38 -19.444 -1.377 2.085 1.00 0.00 O ATOM 388 CB ALA A 38 -21.691 -1.957 4.422 1.00 0.00 C ATOM 0 H ALA A 38 -20.229 0.408 3.358 1.00 0.00 H new ATOM 0 HA ALA A 38 -19.733 -1.769 5.234 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -21.684 -3.047 4.452 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -22.165 -1.572 5.325 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -22.250 -1.622 3.548 1.00 0.00 H new ATOM 394 N ILE A 39 -19.042 -3.245 3.285 1.00 0.00 N ATOM 395 CA ILE A 39 -18.281 -3.933 2.241 1.00 0.00 C ATOM 396 C ILE A 39 -19.043 -4.056 0.917 1.00 0.00 C ATOM 397 O ILE A 39 -18.467 -3.830 -0.150 1.00 0.00 O ATOM 398 CB ILE A 39 -17.853 -5.341 2.713 1.00 0.00 C ATOM 399 CG1 ILE A 39 -16.940 -5.236 3.941 1.00 0.00 C ATOM 400 CG2 ILE A 39 -17.157 -6.110 1.594 1.00 0.00 C ATOM 401 CD1 ILE A 39 -15.666 -4.453 3.696 1.00 0.00 C ATOM 0 H ILE A 39 -19.156 -3.791 4.139 1.00 0.00 H new ATOM 0 HA ILE A 39 -17.403 -3.314 2.057 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.752 -5.893 2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -17.493 -4.765 4.753 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -16.679 -6.241 4.274 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.868 -7.097 1.956 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -17.837 -6.219 0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.268 -5.565 1.276 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.075 -4.424 4.611 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.089 -4.935 2.907 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -15.916 -3.436 3.394 1.00 0.00 H new ATOM 413 N GLU A 40 -20.332 -4.383 0.978 1.00 0.00 N ATOM 414 CA GLU A 40 -21.126 -4.548 -0.242 1.00 0.00 C ATOM 415 C GLU A 40 -21.190 -3.248 -1.039 1.00 0.00 C ATOM 416 O GLU A 40 -21.336 -3.268 -2.258 1.00 0.00 O ATOM 417 CB GLU A 40 -22.545 -5.057 0.053 1.00 0.00 C ATOM 418 CG GLU A 40 -22.817 -5.375 1.514 1.00 0.00 C ATOM 419 CD GLU A 40 -23.447 -4.210 2.241 1.00 0.00 C ATOM 420 OE1 GLU A 40 -23.057 -3.058 1.971 1.00 0.00 O ATOM 421 OE2 GLU A 40 -24.343 -4.438 3.077 1.00 0.00 O ATOM 0 H GLU A 40 -20.845 -4.538 1.846 1.00 0.00 H new ATOM 0 HA GLU A 40 -20.620 -5.304 -0.842 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -23.262 -4.307 -0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -22.724 -5.954 -0.539 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -23.475 -6.241 1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -21.883 -5.646 2.006 1.00 0.00 H new ATOM 428 N LYS A 41 -21.096 -2.121 -0.350 1.00 0.00 N ATOM 429 CA LYS A 41 -21.110 -0.825 -1.016 1.00 0.00 C ATOM 430 C LYS A 41 -19.708 -0.471 -1.498 1.00 0.00 C ATOM 431 O LYS A 41 -19.538 0.185 -2.523 1.00 0.00 O ATOM 432 CB LYS A 41 -21.637 0.257 -0.074 1.00 0.00 C ATOM 433 CG LYS A 41 -23.109 0.101 0.258 1.00 0.00 C ATOM 434 CD LYS A 41 -23.365 0.269 1.744 1.00 0.00 C ATOM 435 CE LYS A 41 -24.799 -0.083 2.102 1.00 0.00 C ATOM 436 NZ LYS A 41 -25.158 -1.459 1.669 1.00 0.00 N ATOM 0 H LYS A 41 -21.010 -2.076 0.665 1.00 0.00 H new ATOM 0 HA LYS A 41 -21.775 -0.883 -1.878 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -21.059 0.237 0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -21.476 1.234 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -23.688 0.838 -0.298 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -23.453 -0.882 -0.063 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -22.681 -0.367 2.307 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -23.157 1.298 2.037 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -24.936 0.006 3.180 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -25.476 0.633 1.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -25.710 -1.925 2.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -25.725 -1.412 0.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -24.291 -2.004 1.489 1.00 0.00 H new ATOM 450 N VAL A 42 -18.706 -0.930 -0.758 1.00 0.00 N ATOM 451 CA VAL A 42 -17.312 -0.676 -1.101 1.00 0.00 C ATOM 452 C VAL A 42 -16.964 -1.303 -2.451 1.00 0.00 C ATOM 453 O VAL A 42 -16.238 -0.718 -3.250 1.00 0.00 O ATOM 454 CB VAL A 42 -16.355 -1.217 -0.009 1.00 0.00 C ATOM 455 CG1 VAL A 42 -14.901 -1.123 -0.449 1.00 0.00 C ATOM 456 CG2 VAL A 42 -16.558 -0.463 1.298 1.00 0.00 C ATOM 0 H VAL A 42 -18.834 -1.484 0.089 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.184 0.404 -1.167 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.592 -2.269 0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.256 -1.511 0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.757 -1.709 -1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.647 -0.081 -0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.878 -0.856 2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.355 0.596 1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.587 -0.589 1.635 1.00 0.00 H new ATOM 466 N VAL A 43 -17.513 -2.483 -2.719 1.00 0.00 N ATOM 467 CA VAL A 43 -17.248 -3.175 -3.977 1.00 0.00 C ATOM 468 C VAL A 43 -18.010 -2.539 -5.143 1.00 0.00 C ATOM 469 O VAL A 43 -17.800 -2.902 -6.303 1.00 0.00 O ATOM 470 CB VAL A 43 -17.597 -4.678 -3.893 1.00 0.00 C ATOM 471 CG1 VAL A 43 -16.787 -5.352 -2.798 1.00 0.00 C ATOM 472 CG2 VAL A 43 -19.087 -4.882 -3.660 1.00 0.00 C ATOM 0 H VAL A 43 -18.141 -2.979 -2.086 1.00 0.00 H new ATOM 0 HA VAL A 43 -16.178 -3.076 -4.160 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.341 -5.138 -4.847 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -17.046 -6.410 -2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -15.724 -5.247 -3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -17.010 -4.883 -1.840 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -19.304 -5.949 -3.605 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -19.378 -4.404 -2.725 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -19.648 -4.440 -4.483 1.00 0.00 H new ATOM 482 N GLN A 44 -18.892 -1.593 -4.834 1.00 0.00 N ATOM 483 CA GLN A 44 -19.669 -0.909 -5.861 1.00 0.00 C ATOM 484 C GLN A 44 -18.886 0.271 -6.417 1.00 0.00 C ATOM 485 O GLN A 44 -19.111 0.699 -7.550 1.00 0.00 O ATOM 486 CB GLN A 44 -21.012 -0.437 -5.303 1.00 0.00 C ATOM 487 CG GLN A 44 -21.910 -1.575 -4.853 1.00 0.00 C ATOM 488 CD GLN A 44 -23.206 -1.091 -4.238 1.00 0.00 C ATOM 489 OE1 GLN A 44 -23.752 -0.062 -4.633 1.00 0.00 O ATOM 490 NE2 GLN A 44 -23.702 -1.827 -3.258 1.00 0.00 N ATOM 0 H GLN A 44 -19.086 -1.283 -3.882 1.00 0.00 H new ATOM 0 HA GLN A 44 -19.863 -1.615 -6.669 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.833 0.230 -4.460 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.530 0.145 -6.065 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -22.135 -2.214 -5.707 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -21.376 -2.189 -4.128 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -23.217 -2.674 -2.961 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -24.569 -1.548 -2.799 1.00 0.00 H new ATOM 499 N MET A 45 -17.969 0.796 -5.610 1.00 0.00 N ATOM 500 CA MET A 45 -17.133 1.918 -6.024 1.00 0.00 C ATOM 501 C MET A 45 -16.128 1.461 -7.081 1.00 0.00 C ATOM 502 O MET A 45 -16.085 0.286 -7.441 1.00 0.00 O ATOM 503 CB MET A 45 -16.399 2.521 -4.819 1.00 0.00 C ATOM 504 CG MET A 45 -15.097 1.815 -4.463 1.00 0.00 C ATOM 505 SD MET A 45 -14.159 2.684 -3.192 1.00 0.00 S ATOM 506 CE MET A 45 -15.303 2.601 -1.821 1.00 0.00 C ATOM 0 H MET A 45 -17.786 0.462 -4.664 1.00 0.00 H new ATOM 0 HA MET A 45 -17.775 2.687 -6.454 1.00 0.00 H new ATOM 0 HB2 MET A 45 -16.186 3.570 -5.025 1.00 0.00 H new ATOM 0 HB3 MET A 45 -17.062 2.495 -3.954 1.00 0.00 H new ATOM 0 HG2 MET A 45 -15.319 0.805 -4.118 1.00 0.00 H new ATOM 0 HG3 MET A 45 -14.484 1.719 -5.359 1.00 0.00 H new ATOM 0 HE1 MET A 45 -15.525 3.609 -1.471 1.00 0.00 H new ATOM 0 HE2 MET A 45 -16.225 2.118 -2.145 1.00 0.00 H new ATOM 0 HE3 MET A 45 -14.858 2.025 -1.010 1.00 0.00 H new ATOM 516 N THR A 46 -15.300 2.373 -7.553 1.00 0.00 N ATOM 517 CA THR A 46 -14.317 2.045 -8.565 1.00 0.00 C ATOM 518 C THR A 46 -13.009 2.777 -8.267 1.00 0.00 C ATOM 519 O THR A 46 -12.927 3.517 -7.286 1.00 0.00 O ATOM 520 CB THR A 46 -14.841 2.397 -9.981 1.00 0.00 C ATOM 521 OG1 THR A 46 -14.011 1.807 -10.992 1.00 0.00 O ATOM 522 CG2 THR A 46 -14.908 3.903 -10.189 1.00 0.00 C ATOM 0 H THR A 46 -15.289 3.347 -7.251 1.00 0.00 H new ATOM 0 HA THR A 46 -14.132 0.971 -8.542 1.00 0.00 H new ATOM 0 HB THR A 46 -15.849 1.991 -10.064 1.00 0.00 H new ATOM 0 HG1 THR A 46 -14.359 2.039 -11.878 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.279 4.116 -11.192 1.00 0.00 H new ATOM 0 HG22 THR A 46 -15.580 4.342 -9.452 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.912 4.331 -10.072 1.00 0.00 H new ATOM 530 N ASN A 47 -11.996 2.557 -9.101 1.00 0.00 N ATOM 531 CA ASN A 47 -10.688 3.194 -8.924 1.00 0.00 C ATOM 532 C ASN A 47 -10.829 4.706 -8.786 1.00 0.00 C ATOM 533 O ASN A 47 -10.185 5.327 -7.941 1.00 0.00 O ATOM 534 CB ASN A 47 -9.767 2.873 -10.105 1.00 0.00 C ATOM 535 CG ASN A 47 -8.767 1.777 -9.790 1.00 0.00 C ATOM 536 OD1 ASN A 47 -9.076 0.822 -9.078 1.00 0.00 O ATOM 537 ND2 ASN A 47 -7.557 1.910 -10.316 1.00 0.00 N ATOM 0 H ASN A 47 -12.054 1.940 -9.911 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.250 2.797 -8.008 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.372 2.572 -10.960 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -9.230 3.776 -10.397 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.842 1.205 -10.135 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.341 2.717 -10.901 1.00 0.00 H new ATOM 544 N ASP A 48 -11.674 5.287 -9.628 1.00 0.00 N ATOM 545 CA ASP A 48 -11.924 6.726 -9.617 1.00 0.00 C ATOM 546 C ASP A 48 -12.461 7.198 -8.268 1.00 0.00 C ATOM 547 O ASP A 48 -12.036 8.233 -7.757 1.00 0.00 O ATOM 548 CB ASP A 48 -12.910 7.092 -10.726 1.00 0.00 C ATOM 549 CG ASP A 48 -13.272 8.560 -10.714 1.00 0.00 C ATOM 550 OD1 ASP A 48 -12.398 9.395 -11.033 1.00 0.00 O ATOM 551 OD2 ASP A 48 -14.434 8.883 -10.390 1.00 0.00 O ATOM 0 H ASP A 48 -12.204 4.778 -10.336 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.973 7.229 -9.790 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.477 6.835 -11.693 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.816 6.496 -10.614 1.00 0.00 H new ATOM 556 N ASP A 49 -13.388 6.431 -7.694 1.00 0.00 N ATOM 557 CA ASP A 49 -13.986 6.770 -6.399 1.00 0.00 C ATOM 558 C ASP A 49 -12.913 7.010 -5.351 1.00 0.00 C ATOM 559 O ASP A 49 -12.949 8.003 -4.624 1.00 0.00 O ATOM 560 CB ASP A 49 -14.898 5.645 -5.906 1.00 0.00 C ATOM 561 CG ASP A 49 -16.286 5.696 -6.503 1.00 0.00 C ATOM 562 OD1 ASP A 49 -17.134 6.452 -5.987 1.00 0.00 O ATOM 563 OD2 ASP A 49 -16.533 4.970 -7.485 1.00 0.00 O ATOM 0 H ASP A 49 -13.743 5.568 -8.106 1.00 0.00 H new ATOM 0 HA ASP A 49 -14.569 7.680 -6.544 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.442 4.685 -6.146 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.975 5.698 -4.820 1.00 0.00 H new ATOM 568 N ILE A 50 -11.961 6.110 -5.293 1.00 0.00 N ATOM 569 CA ILE A 50 -10.837 6.172 -4.363 1.00 0.00 C ATOM 570 C ILE A 50 -10.113 7.492 -4.476 1.00 0.00 C ATOM 571 O ILE A 50 -9.696 8.084 -3.478 1.00 0.00 O ATOM 572 CB ILE A 50 -9.857 4.945 -4.560 1.00 0.00 C ATOM 573 CG1 ILE A 50 -10.457 3.560 -4.157 1.00 0.00 C ATOM 574 CG2 ILE A 50 -8.502 5.124 -3.806 1.00 0.00 C ATOM 575 CD1 ILE A 50 -9.639 2.323 -4.580 1.00 0.00 C ATOM 0 H ILE A 50 -11.937 5.292 -5.901 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.235 6.104 -3.351 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.689 4.941 -5.637 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.577 3.539 -3.074 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.454 3.478 -4.590 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.872 4.252 -3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.996 6.016 -4.175 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.691 5.230 -2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -10.149 1.419 -4.248 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.540 2.306 -5.665 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.649 2.369 -4.126 1.00 0.00 H new ATOM 587 N LYS A 51 -9.920 7.943 -5.707 1.00 0.00 N ATOM 588 CA LYS A 51 -9.190 9.177 -5.973 1.00 0.00 C ATOM 589 C LYS A 51 -10.067 10.409 -5.749 1.00 0.00 C ATOM 590 O LYS A 51 -9.560 11.518 -5.590 1.00 0.00 O ATOM 591 CB LYS A 51 -8.665 9.176 -7.408 1.00 0.00 C ATOM 592 CG LYS A 51 -7.997 7.869 -7.811 1.00 0.00 C ATOM 593 CD LYS A 51 -7.872 7.745 -9.321 1.00 0.00 C ATOM 594 CE LYS A 51 -6.857 8.726 -9.885 1.00 0.00 C ATOM 595 NZ LYS A 51 -5.468 8.206 -9.787 1.00 0.00 N ATOM 0 H LYS A 51 -10.261 7.470 -6.544 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.354 9.224 -5.275 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.492 9.377 -8.089 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.951 9.991 -7.525 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.007 7.811 -7.358 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.575 7.030 -7.423 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.577 6.728 -9.579 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.844 7.922 -9.782 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.094 8.933 -10.929 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.929 9.672 -9.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.809 8.999 -9.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.398 7.554 -8.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.224 7.701 -10.663 1.00 0.00 H new ATOM 609 N ARG A 52 -11.379 10.217 -5.743 1.00 0.00 N ATOM 610 CA ARG A 52 -12.311 11.320 -5.550 1.00 0.00 C ATOM 611 C ARG A 52 -12.521 11.595 -4.066 1.00 0.00 C ATOM 612 O ARG A 52 -12.579 12.750 -3.642 1.00 0.00 O ATOM 613 CB ARG A 52 -13.646 11.016 -6.240 1.00 0.00 C ATOM 614 CG ARG A 52 -14.808 11.867 -5.744 1.00 0.00 C ATOM 615 CD ARG A 52 -15.902 11.982 -6.792 1.00 0.00 C ATOM 616 NE ARG A 52 -17.201 12.308 -6.198 1.00 0.00 N ATOM 617 CZ ARG A 52 -17.615 13.547 -5.926 1.00 0.00 C ATOM 618 NH1 ARG A 52 -16.825 14.590 -6.163 1.00 0.00 N ATOM 619 NH2 ARG A 52 -18.818 13.739 -5.403 1.00 0.00 N ATOM 0 H ARG A 52 -11.822 9.307 -5.870 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.885 12.215 -6.002 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.531 11.167 -7.313 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.889 9.964 -6.090 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.219 11.429 -4.834 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.446 12.862 -5.483 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.631 12.751 -7.515 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -15.979 11.043 -7.339 1.00 0.00 H new ATOM 0 HE ARG A 52 -17.831 11.537 -5.978 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.895 14.446 -6.556 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -17.149 15.534 -5.952 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.423 12.941 -5.210 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -19.138 14.685 -5.194 1.00 0.00 H new ATOM 633 N ILE A 53 -12.613 10.531 -3.277 1.00 0.00 N ATOM 634 CA ILE A 53 -12.815 10.660 -1.835 1.00 0.00 C ATOM 635 C ILE A 53 -11.501 10.959 -1.109 1.00 0.00 C ATOM 636 O ILE A 53 -11.401 10.810 0.110 1.00 0.00 O ATOM 637 CB ILE A 53 -13.461 9.387 -1.245 1.00 0.00 C ATOM 638 CG1 ILE A 53 -12.577 8.162 -1.504 1.00 0.00 C ATOM 639 CG2 ILE A 53 -14.846 9.184 -1.840 1.00 0.00 C ATOM 640 CD1 ILE A 53 -13.192 6.857 -1.047 1.00 0.00 C ATOM 0 H ILE A 53 -12.551 9.569 -3.609 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.493 11.500 -1.682 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.558 9.511 -0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.364 8.098 -2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -11.623 8.301 -0.996 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -15.295 8.284 -1.419 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.472 10.045 -1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -14.765 9.077 -2.922 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.508 6.037 -1.264 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -13.379 6.899 0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -14.132 6.694 -1.573 1.00 0.00 H new ATOM 652 N GLY A 54 -10.501 11.392 -1.867 1.00 0.00 N ATOM 653 CA GLY A 54 -9.213 11.717 -1.296 1.00 0.00 C ATOM 654 C GLY A 54 -8.109 10.867 -1.880 1.00 0.00 C ATOM 655 O GLY A 54 -7.950 10.812 -3.100 1.00 0.00 O ATOM 0 H GLY A 54 -10.563 11.524 -2.877 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.993 12.770 -1.472 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.248 11.575 -0.216 1.00 0.00 H new ATOM 659 N VAL A 55 -7.369 10.198 -0.992 1.00 0.00 N ATOM 660 CA VAL A 55 -6.260 9.315 -1.370 1.00 0.00 C ATOM 661 C VAL A 55 -5.440 9.888 -2.533 1.00 0.00 C ATOM 662 O VAL A 55 -5.358 9.288 -3.603 1.00 0.00 O ATOM 663 CB VAL A 55 -6.788 7.916 -1.762 1.00 0.00 C ATOM 664 CG1 VAL A 55 -5.673 6.885 -1.733 1.00 0.00 C ATOM 665 CG2 VAL A 55 -7.929 7.489 -0.848 1.00 0.00 C ATOM 0 H VAL A 55 -7.522 10.253 0.015 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.610 9.234 -0.499 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.169 7.979 -2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.072 5.910 -2.013 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.892 7.173 -2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.254 6.831 -0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.283 6.502 -1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.576 7.453 0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.746 8.206 -0.927 1.00 0.00 H new ATOM 675 N ARG A 56 -4.830 11.048 -2.324 1.00 0.00 N ATOM 676 CA ARG A 56 -4.048 11.690 -3.380 1.00 0.00 C ATOM 677 C ARG A 56 -2.746 10.939 -3.693 1.00 0.00 C ATOM 678 O ARG A 56 -2.189 11.091 -4.781 1.00 0.00 O ATOM 679 CB ARG A 56 -3.763 13.155 -3.022 1.00 0.00 C ATOM 680 CG ARG A 56 -2.554 13.374 -2.120 1.00 0.00 C ATOM 681 CD ARG A 56 -1.345 13.850 -2.914 1.00 0.00 C ATOM 682 NE ARG A 56 -0.607 14.895 -2.210 1.00 0.00 N ATOM 683 CZ ARG A 56 0.722 14.958 -2.136 1.00 0.00 C ATOM 684 NH1 ARG A 56 1.479 14.058 -2.763 1.00 0.00 N ATOM 685 NH2 ARG A 56 1.295 15.935 -1.449 1.00 0.00 N ATOM 0 H ARG A 56 -4.859 11.561 -1.443 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.651 11.658 -4.288 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.616 13.717 -3.944 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.643 13.572 -2.532 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.799 14.109 -1.353 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.310 12.445 -1.605 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.683 13.006 -3.108 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.673 14.227 -3.883 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.145 15.626 -1.744 1.00 0.00 H new ATOM 0 HH11 ARG A 56 1.042 13.313 -3.305 1.00 0.00 H new ATOM 0 HH12 ARG A 56 2.496 14.114 -2.701 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.719 16.634 -0.980 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.312 15.988 -1.389 1.00 0.00 H new ATOM 699 N LEU A 57 -2.255 10.140 -2.749 1.00 0.00 N ATOM 700 CA LEU A 57 -1.022 9.382 -2.970 1.00 0.00 C ATOM 701 C LEU A 57 -1.297 8.184 -3.883 1.00 0.00 C ATOM 702 O LEU A 57 -2.181 7.375 -3.598 1.00 0.00 O ATOM 703 CB LEU A 57 -0.408 8.916 -1.640 1.00 0.00 C ATOM 704 CG LEU A 57 0.284 10.005 -0.805 1.00 0.00 C ATOM 705 CD1 LEU A 57 1.074 9.385 0.343 1.00 0.00 C ATOM 706 CD2 LEU A 57 1.199 10.857 -1.674 1.00 0.00 C ATOM 0 H LEU A 57 -2.684 10.000 -1.834 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.301 10.040 -3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.196 8.467 -1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.318 8.131 -1.852 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.490 10.648 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.556 10.174 0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.398 8.823 0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.833 8.714 -0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.677 11.620 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.963 10.225 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.613 11.337 -2.458 1.00 0.00 H new ATOM 718 N PRO A 58 -0.537 8.055 -4.990 1.00 0.00 N ATOM 719 CA PRO A 58 -0.713 6.965 -5.965 1.00 0.00 C ATOM 720 C PRO A 58 -0.557 5.577 -5.349 1.00 0.00 C ATOM 721 O PRO A 58 -1.338 4.668 -5.644 1.00 0.00 O ATOM 722 CB PRO A 58 0.391 7.215 -7.000 1.00 0.00 C ATOM 723 CG PRO A 58 1.366 8.117 -6.323 1.00 0.00 C ATOM 724 CD PRO A 58 0.558 8.958 -5.381 1.00 0.00 C ATOM 0 HA PRO A 58 -1.720 6.972 -6.383 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.864 6.281 -7.304 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.012 7.677 -7.902 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.121 7.544 -5.786 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.893 8.738 -7.048 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.145 9.278 -4.520 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.184 9.861 -5.865 1.00 0.00 H new ATOM 732 N GLY A 59 0.445 5.416 -4.493 1.00 0.00 N ATOM 733 CA GLY A 59 0.669 4.139 -3.853 1.00 0.00 C ATOM 734 C GLY A 59 -0.432 3.802 -2.875 1.00 0.00 C ATOM 735 O GLY A 59 -0.745 2.631 -2.653 1.00 0.00 O ATOM 0 H GLY A 59 1.105 6.149 -4.232 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.733 3.359 -4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.626 4.156 -3.331 1.00 0.00 H new ATOM 739 N HIS A 60 -1.037 4.838 -2.301 1.00 0.00 N ATOM 740 CA HIS A 60 -2.129 4.649 -1.363 1.00 0.00 C ATOM 741 C HIS A 60 -3.332 4.127 -2.130 1.00 0.00 C ATOM 742 O HIS A 60 -4.097 3.304 -1.636 1.00 0.00 O ATOM 743 CB HIS A 60 -2.484 5.963 -0.661 1.00 0.00 C ATOM 744 CG HIS A 60 -1.613 6.291 0.509 1.00 0.00 C ATOM 745 ND1 HIS A 60 -1.986 7.139 1.528 1.00 0.00 N ATOM 746 CD2 HIS A 60 -0.360 5.877 0.810 1.00 0.00 C ATOM 747 CE1 HIS A 60 -0.973 7.215 2.396 1.00 0.00 C ATOM 748 NE2 HIS A 60 0.038 6.467 2.007 1.00 0.00 N ATOM 0 H HIS A 60 -0.788 5.812 -2.471 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.828 3.935 -0.596 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.422 6.776 -1.384 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.520 5.914 -0.325 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -2.880 7.624 1.606 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.235 5.198 0.217 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.982 7.811 3.297 1.00 0.00 H new ATOM 756 N GLN A 61 -3.464 4.602 -3.363 1.00 0.00 N ATOM 757 CA GLN A 61 -4.554 4.179 -4.232 1.00 0.00 C ATOM 758 C GLN A 61 -4.344 2.720 -4.594 1.00 0.00 C ATOM 759 O GLN A 61 -5.173 1.873 -4.289 1.00 0.00 O ATOM 760 CB GLN A 61 -4.606 5.027 -5.504 1.00 0.00 C ATOM 761 CG GLN A 61 -5.138 6.433 -5.288 1.00 0.00 C ATOM 762 CD GLN A 61 -4.772 7.370 -6.422 1.00 0.00 C ATOM 763 OE1 GLN A 61 -4.575 6.944 -7.559 1.00 0.00 O ATOM 764 NE2 GLN A 61 -4.694 8.654 -6.127 1.00 0.00 N ATOM 0 H GLN A 61 -2.829 5.281 -3.783 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.500 4.308 -3.706 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -3.604 5.090 -5.928 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.232 4.522 -6.240 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.223 6.396 -5.186 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.743 6.828 -4.352 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.864 8.969 -5.172 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.464 9.331 -6.854 1.00 0.00 H new ATOM 773 N LYS A 62 -3.246 2.470 -5.309 1.00 0.00 N ATOM 774 CA LYS A 62 -2.845 1.115 -5.705 1.00 0.00 C ATOM 775 C LYS A 62 -3.077 0.092 -4.587 1.00 0.00 C ATOM 776 O LYS A 62 -3.579 -1.003 -4.836 1.00 0.00 O ATOM 777 CB LYS A 62 -1.371 1.081 -6.098 1.00 0.00 C ATOM 778 CG LYS A 62 -0.927 -0.287 -6.591 1.00 0.00 C ATOM 779 CD LYS A 62 0.559 -0.512 -6.392 1.00 0.00 C ATOM 780 CE LYS A 62 0.902 -1.985 -6.535 1.00 0.00 C ATOM 781 NZ LYS A 62 2.358 -2.235 -6.424 1.00 0.00 N ATOM 0 H LYS A 62 -2.609 3.199 -5.631 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.468 0.846 -6.558 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.190 1.820 -6.878 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.764 1.368 -5.240 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.484 -1.060 -6.062 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.169 -0.387 -7.649 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.121 0.070 -7.122 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.857 -0.158 -5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.378 -2.554 -5.767 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.546 -2.347 -7.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.522 -3.235 -6.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.818 -2.013 -7.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.758 -1.633 -5.676 1.00 0.00 H new ATOM 795 N ARG A 63 -2.708 0.456 -3.362 1.00 0.00 N ATOM 796 CA ARG A 63 -2.889 -0.423 -2.211 1.00 0.00 C ATOM 797 C ARG A 63 -4.370 -0.757 -2.032 1.00 0.00 C ATOM 798 O ARG A 63 -4.753 -1.924 -1.893 1.00 0.00 O ATOM 799 CB ARG A 63 -2.338 0.253 -0.954 1.00 0.00 C ATOM 800 CG ARG A 63 -2.282 -0.655 0.258 1.00 0.00 C ATOM 801 CD ARG A 63 -1.570 0.022 1.415 1.00 0.00 C ATOM 802 NE ARG A 63 -0.139 0.180 1.159 1.00 0.00 N ATOM 803 CZ ARG A 63 0.709 0.769 2.001 1.00 0.00 C ATOM 804 NH1 ARG A 63 0.276 1.255 3.159 1.00 0.00 N ATOM 805 NH2 ARG A 63 1.994 0.865 1.691 1.00 0.00 N ATOM 0 H ARG A 63 -2.281 1.356 -3.141 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.344 -1.352 -2.380 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.335 0.625 -1.164 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.956 1.119 -0.718 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.293 -0.928 0.559 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.766 -1.580 0.000 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.017 1.000 1.594 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.714 -0.564 2.322 1.00 0.00 H new ATOM 0 HE ARG A 63 0.233 -0.183 0.281 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.710 1.178 3.407 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.930 1.705 3.800 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.335 0.488 0.807 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.642 1.316 2.337 1.00 0.00 H new ATOM 819 N ILE A 64 -5.197 0.278 -2.044 1.00 0.00 N ATOM 820 CA ILE A 64 -6.638 0.121 -1.908 1.00 0.00 C ATOM 821 C ILE A 64 -7.206 -0.661 -3.097 1.00 0.00 C ATOM 822 O ILE A 64 -8.024 -1.562 -2.923 1.00 0.00 O ATOM 823 CB ILE A 64 -7.334 1.491 -1.803 1.00 0.00 C ATOM 824 CG1 ILE A 64 -6.842 2.233 -0.559 1.00 0.00 C ATOM 825 CG2 ILE A 64 -8.843 1.323 -1.761 1.00 0.00 C ATOM 826 CD1 ILE A 64 -7.255 3.687 -0.515 1.00 0.00 C ATOM 0 H ILE A 64 -4.891 1.245 -2.148 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.829 -0.436 -0.991 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.083 2.079 -2.686 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.224 1.729 0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.755 2.172 -0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.316 2.302 -1.687 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.179 0.826 -2.671 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -9.118 0.721 -0.895 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.870 4.147 0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.850 4.207 -1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.343 3.757 -0.525 1.00 0.00 H new ATOM 838 N ALA A 65 -6.746 -0.320 -4.296 1.00 0.00 N ATOM 839 CA ALA A 65 -7.181 -0.993 -5.522 1.00 0.00 C ATOM 840 C ALA A 65 -6.899 -2.490 -5.442 1.00 0.00 C ATOM 841 O ALA A 65 -7.753 -3.314 -5.783 1.00 0.00 O ATOM 842 CB ALA A 65 -6.489 -0.392 -6.737 1.00 0.00 C ATOM 0 H ALA A 65 -6.066 0.425 -4.449 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.256 -0.847 -5.627 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.825 -0.905 -7.638 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.736 0.667 -6.809 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.410 -0.507 -6.635 1.00 0.00 H new ATOM 848 N TYR A 66 -5.694 -2.822 -4.981 1.00 0.00 N ATOM 849 CA TYR A 66 -5.261 -4.210 -4.809 1.00 0.00 C ATOM 850 C TYR A 66 -6.252 -4.931 -3.909 1.00 0.00 C ATOM 851 O TYR A 66 -6.706 -6.044 -4.190 1.00 0.00 O ATOM 852 CB TYR A 66 -3.852 -4.217 -4.183 1.00 0.00 C ATOM 853 CG TYR A 66 -3.309 -5.573 -3.773 1.00 0.00 C ATOM 854 CD1 TYR A 66 -3.604 -6.725 -4.490 1.00 0.00 C ATOM 855 CD2 TYR A 66 -2.476 -5.690 -2.660 1.00 0.00 C ATOM 856 CE1 TYR A 66 -3.086 -7.951 -4.112 1.00 0.00 C ATOM 857 CE2 TYR A 66 -1.956 -6.914 -2.275 1.00 0.00 C ATOM 858 CZ TYR A 66 -2.265 -8.042 -3.005 1.00 0.00 C ATOM 859 OH TYR A 66 -1.746 -9.266 -2.635 1.00 0.00 O ATOM 0 H TYR A 66 -4.988 -2.135 -4.715 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.224 -4.722 -5.770 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.158 -3.771 -4.896 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.864 -3.573 -3.304 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.247 -6.663 -5.355 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.232 -4.808 -2.087 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.324 -8.837 -4.682 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.313 -6.985 -1.410 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.188 -9.157 -1.837 1.00 0.00 H new ATOM 869 N SER A 67 -6.600 -4.246 -2.838 1.00 0.00 N ATOM 870 CA SER A 67 -7.535 -4.754 -1.852 1.00 0.00 C ATOM 871 C SER A 67 -8.972 -4.790 -2.373 1.00 0.00 C ATOM 872 O SER A 67 -9.820 -5.476 -1.801 1.00 0.00 O ATOM 873 CB SER A 67 -7.453 -3.881 -0.610 1.00 0.00 C ATOM 874 OG SER A 67 -6.101 -3.691 -0.231 1.00 0.00 O ATOM 0 H SER A 67 -6.240 -3.316 -2.625 1.00 0.00 H new ATOM 0 HA SER A 67 -7.259 -5.783 -1.620 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.923 -2.917 -0.803 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.005 -4.346 0.207 1.00 0.00 H new ATOM 0 HG SER A 67 -5.705 -2.981 -0.778 1.00 0.00 H new ATOM 880 N LEU A 68 -9.256 -4.061 -3.446 1.00 0.00 N ATOM 881 CA LEU A 68 -10.599 -4.045 -4.005 1.00 0.00 C ATOM 882 C LEU A 68 -10.804 -5.238 -4.921 1.00 0.00 C ATOM 883 O LEU A 68 -11.887 -5.820 -4.967 1.00 0.00 O ATOM 884 CB LEU A 68 -10.860 -2.746 -4.772 1.00 0.00 C ATOM 885 CG LEU A 68 -11.239 -1.547 -3.905 1.00 0.00 C ATOM 886 CD1 LEU A 68 -11.126 -0.259 -4.702 1.00 0.00 C ATOM 887 CD2 LEU A 68 -12.650 -1.712 -3.363 1.00 0.00 C ATOM 0 H LEU A 68 -8.580 -3.479 -3.941 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.308 -4.104 -3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.967 -2.494 -5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.660 -2.922 -5.492 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.547 -1.495 -3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.400 0.585 -4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.100 -0.135 -5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.797 -0.302 -5.560 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.906 -0.850 -2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.352 -1.786 -4.193 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.704 -2.618 -2.760 1.00 0.00 H new ATOM 899 N LEU A 69 -9.752 -5.593 -5.651 1.00 0.00 N ATOM 900 CA LEU A 69 -9.790 -6.732 -6.561 1.00 0.00 C ATOM 901 C LEU A 69 -10.156 -7.995 -5.796 1.00 0.00 C ATOM 902 O LEU A 69 -10.995 -8.780 -6.236 1.00 0.00 O ATOM 903 CB LEU A 69 -8.434 -6.902 -7.249 1.00 0.00 C ATOM 904 CG LEU A 69 -7.970 -5.695 -8.064 1.00 0.00 C ATOM 905 CD1 LEU A 69 -6.519 -5.859 -8.477 1.00 0.00 C ATOM 906 CD2 LEU A 69 -8.852 -5.502 -9.288 1.00 0.00 C ATOM 0 H LEU A 69 -8.857 -5.105 -5.629 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.547 -6.551 -7.324 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.683 -7.120 -6.490 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.483 -7.769 -7.907 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.054 -4.807 -7.438 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.205 -4.991 -9.056 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.895 -5.946 -7.587 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.413 -6.758 -9.084 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.505 -4.638 -9.854 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.802 -6.391 -9.916 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.882 -5.338 -8.972 1.00 0.00 H new ATOM 918 N GLY A 70 -9.539 -8.161 -4.630 1.00 0.00 N ATOM 919 CA GLY A 70 -9.812 -9.316 -3.800 1.00 0.00 C ATOM 920 C GLY A 70 -11.259 -9.371 -3.364 1.00 0.00 C ATOM 921 O GLY A 70 -11.883 -10.424 -3.415 1.00 0.00 O ATOM 0 H GLY A 70 -8.852 -7.512 -4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.564 -10.224 -4.350 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.169 -9.290 -2.920 1.00 0.00 H new ATOM 925 N LEU A 71 -11.796 -8.227 -2.943 1.00 0.00 N ATOM 926 CA LEU A 71 -13.187 -8.152 -2.507 1.00 0.00 C ATOM 927 C LEU A 71 -14.128 -8.562 -3.635 1.00 0.00 C ATOM 928 O LEU A 71 -15.093 -9.295 -3.414 1.00 0.00 O ATOM 929 CB LEU A 71 -13.544 -6.740 -2.037 1.00 0.00 C ATOM 930 CG LEU A 71 -13.027 -6.347 -0.652 1.00 0.00 C ATOM 931 CD1 LEU A 71 -13.597 -4.997 -0.246 1.00 0.00 C ATOM 932 CD2 LEU A 71 -13.382 -7.405 0.383 1.00 0.00 C ATOM 0 H LEU A 71 -11.290 -7.343 -2.895 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.304 -8.841 -1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.156 -6.027 -2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -14.629 -6.640 -2.040 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.941 -6.273 -0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.223 -4.726 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.292 -4.241 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.685 -5.055 -0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.003 -7.101 1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -14.465 -7.516 0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.932 -8.357 0.099 1.00 0.00 H new ATOM 944 N LYS A 72 -13.837 -8.094 -4.846 1.00 0.00 N ATOM 945 CA LYS A 72 -14.660 -8.420 -6.005 1.00 0.00 C ATOM 946 C LYS A 72 -14.610 -9.918 -6.284 1.00 0.00 C ATOM 947 O LYS A 72 -15.643 -10.553 -6.497 1.00 0.00 O ATOM 948 CB LYS A 72 -14.210 -7.635 -7.241 1.00 0.00 C ATOM 949 CG LYS A 72 -14.374 -6.129 -7.101 1.00 0.00 C ATOM 950 CD LYS A 72 -14.341 -5.439 -8.456 1.00 0.00 C ATOM 951 CE LYS A 72 -14.585 -3.943 -8.335 1.00 0.00 C ATOM 952 NZ LYS A 72 -14.912 -3.327 -9.650 1.00 0.00 N ATOM 0 H LYS A 72 -13.040 -7.490 -5.049 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.688 -8.136 -5.780 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.163 -7.861 -7.443 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.781 -7.975 -8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.318 -5.909 -6.602 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.579 -5.732 -6.469 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.374 -5.612 -8.929 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.097 -5.879 -9.106 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.402 -3.764 -7.637 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.699 -3.463 -7.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.071 -2.307 -9.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.122 -3.476 -10.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.772 -3.767 -10.035 1.00 0.00 H new ATOM 966 N ASP A 73 -13.405 -10.476 -6.284 1.00 0.00 N ATOM 967 CA ASP A 73 -13.221 -11.908 -6.517 1.00 0.00 C ATOM 968 C ASP A 73 -13.903 -12.727 -5.422 1.00 0.00 C ATOM 969 O ASP A 73 -14.528 -13.753 -5.697 1.00 0.00 O ATOM 970 CB ASP A 73 -11.732 -12.254 -6.572 1.00 0.00 C ATOM 971 CG ASP A 73 -11.488 -13.718 -6.888 1.00 0.00 C ATOM 972 OD1 ASP A 73 -11.642 -14.109 -8.063 1.00 0.00 O ATOM 973 OD2 ASP A 73 -11.138 -14.481 -5.962 1.00 0.00 O ATOM 0 H ASP A 73 -12.539 -9.961 -6.125 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.679 -12.155 -7.475 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.246 -11.636 -7.328 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -11.270 -12.010 -5.616 1.00 0.00 H new ATOM 978 N GLN A 74 -13.799 -12.249 -4.187 1.00 0.00 N ATOM 979 CA GLN A 74 -14.397 -12.924 -3.036 1.00 0.00 C ATOM 980 C GLN A 74 -15.914 -13.002 -3.153 1.00 0.00 C ATOM 981 O GLN A 74 -16.530 -13.948 -2.669 1.00 0.00 O ATOM 982 CB GLN A 74 -14.029 -12.204 -1.737 1.00 0.00 C ATOM 983 CG GLN A 74 -12.626 -12.504 -1.239 1.00 0.00 C ATOM 984 CD GLN A 74 -12.521 -13.849 -0.547 1.00 0.00 C ATOM 985 OE1 GLN A 74 -13.192 -14.814 -0.920 1.00 0.00 O ATOM 986 NE2 GLN A 74 -11.690 -13.920 0.477 1.00 0.00 N ATOM 0 H GLN A 74 -13.302 -11.389 -3.954 1.00 0.00 H new ATOM 0 HA GLN A 74 -13.998 -13.938 -3.019 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.127 -11.129 -1.889 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.745 -12.483 -0.964 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.934 -12.479 -2.081 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.316 -11.720 -0.548 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -11.152 -13.099 0.755 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.586 -14.796 0.990 1.00 0.00 H new ATOM 995 N VAL A 75 -16.518 -12.014 -3.802 1.00 0.00 N ATOM 996 CA VAL A 75 -17.966 -11.985 -3.957 1.00 0.00 C ATOM 997 C VAL A 75 -18.383 -12.676 -5.255 1.00 0.00 C ATOM 998 O VAL A 75 -19.559 -12.969 -5.468 1.00 0.00 O ATOM 999 CB VAL A 75 -18.509 -10.530 -3.915 1.00 0.00 C ATOM 1000 CG1 VAL A 75 -18.420 -9.851 -5.276 1.00 0.00 C ATOM 1001 CG2 VAL A 75 -19.939 -10.501 -3.395 1.00 0.00 C ATOM 0 H VAL A 75 -16.030 -11.226 -4.227 1.00 0.00 H new ATOM 0 HA VAL A 75 -18.401 -12.529 -3.119 1.00 0.00 H new ATOM 0 HB VAL A 75 -17.877 -9.969 -3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -18.810 -8.836 -5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -17.379 -9.818 -5.599 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -19.007 -10.413 -6.002 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -20.298 -9.472 -3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -20.577 -11.095 -4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -19.968 -10.916 -2.387 1.00 0.00 H new ATOM 1011 N ASN A 76 -17.409 -12.949 -6.111 1.00 0.00 N ATOM 1012 CA ASN A 76 -17.673 -13.612 -7.384 1.00 0.00 C ATOM 1013 C ASN A 76 -17.533 -15.122 -7.244 1.00 0.00 C ATOM 1014 O ASN A 76 -18.111 -15.885 -8.019 1.00 0.00 O ATOM 1015 CB ASN A 76 -16.714 -13.105 -8.461 1.00 0.00 C ATOM 1016 CG ASN A 76 -17.317 -12.008 -9.315 1.00 0.00 C ATOM 1017 OD1 ASN A 76 -17.890 -12.272 -10.373 1.00 0.00 O ATOM 1018 ND2 ASN A 76 -17.184 -10.768 -8.870 1.00 0.00 N ATOM 0 H ASN A 76 -16.428 -12.722 -5.949 1.00 0.00 H new ATOM 0 HA ASN A 76 -18.696 -13.378 -7.679 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -15.806 -12.732 -7.986 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.421 -13.937 -9.101 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -17.563 -9.989 -9.409 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -16.702 -10.591 -7.988 1.00 0.00 H new ATOM 1025 N THR A 77 -16.763 -15.543 -6.255 1.00 0.00 N ATOM 1026 CA THR A 77 -16.539 -16.956 -6.008 1.00 0.00 C ATOM 1027 C THR A 77 -17.650 -17.542 -5.139 1.00 0.00 C ATOM 1028 O THR A 77 -18.076 -16.929 -4.162 1.00 0.00 O ATOM 1029 CB THR A 77 -15.173 -17.173 -5.327 1.00 0.00 C ATOM 1030 OG1 THR A 77 -14.157 -16.463 -6.052 1.00 0.00 O ATOM 1031 CG2 THR A 77 -14.813 -18.649 -5.271 1.00 0.00 C ATOM 0 H THR A 77 -16.280 -14.921 -5.607 1.00 0.00 H new ATOM 0 HA THR A 77 -16.544 -17.469 -6.969 1.00 0.00 H new ATOM 0 HB THR A 77 -15.238 -16.796 -4.306 1.00 0.00 H new ATOM 0 HG1 THR A 77 -14.311 -15.499 -5.972 1.00 0.00 H new ATOM 0 HG21 THR A 77 -13.845 -18.769 -4.785 1.00 0.00 H new ATOM 0 HG22 THR A 77 -15.573 -19.188 -4.704 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.763 -19.050 -6.283 1.00 0.00 H new ATOM 1039 N VAL A 78 -18.116 -18.730 -5.510 1.00 0.00 N ATOM 1040 CA VAL A 78 -19.172 -19.402 -4.766 1.00 0.00 C ATOM 1041 C VAL A 78 -18.571 -20.319 -3.710 1.00 0.00 C ATOM 1042 O VAL A 78 -19.218 -20.546 -2.668 1.00 0.00 O ATOM 1043 CB VAL A 78 -20.105 -20.222 -5.686 1.00 0.00 C ATOM 1044 CG1 VAL A 78 -20.956 -19.301 -6.545 1.00 0.00 C ATOM 1045 CG2 VAL A 78 -19.312 -21.187 -6.557 1.00 0.00 C ATOM 1046 OXT VAL A 78 -17.439 -20.800 -3.919 1.00 0.00 O ATOM 0 H VAL A 78 -17.778 -19.246 -6.322 1.00 0.00 H new ATOM 0 HA VAL A 78 -19.770 -18.625 -4.289 1.00 0.00 H new ATOM 0 HB VAL A 78 -20.767 -20.811 -5.051 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -21.606 -19.898 -7.185 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -21.565 -18.664 -5.903 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -20.309 -18.679 -7.164 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -19.996 -21.749 -7.193 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -18.615 -20.626 -7.180 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -18.756 -21.877 -5.922 1.00 0.00 H new TER 1056 VAL A 78 ATOM 1057 N GLY B 28 9.845 6.370 10.993 1.00 0.00 N ATOM 1058 CA GLY B 28 9.458 5.449 9.901 1.00 0.00 C ATOM 1059 C GLY B 28 10.360 4.241 9.832 1.00 0.00 C ATOM 1060 O GLY B 28 10.296 3.362 10.691 1.00 0.00 O ATOM 0 HA2 GLY B 28 8.428 5.124 10.049 1.00 0.00 H new ATOM 0 HA3 GLY B 28 9.491 5.981 8.950 1.00 0.00 H new ATOM 1064 N MET B 29 11.217 4.197 8.824 1.00 0.00 N ATOM 1065 CA MET B 29 12.124 3.075 8.653 1.00 0.00 C ATOM 1066 C MET B 29 13.486 3.542 8.150 1.00 0.00 C ATOM 1067 O MET B 29 14.259 2.758 7.602 1.00 0.00 O ATOM 1068 CB MET B 29 11.522 2.048 7.693 1.00 0.00 C ATOM 1069 CG MET B 29 11.294 2.578 6.288 1.00 0.00 C ATOM 1070 SD MET B 29 10.563 1.345 5.199 1.00 0.00 S ATOM 1071 CE MET B 29 10.582 2.225 3.641 1.00 0.00 C ATOM 0 H MET B 29 11.303 4.924 8.114 1.00 0.00 H new ATOM 0 HA MET B 29 12.269 2.604 9.625 1.00 0.00 H new ATOM 0 HB2 MET B 29 12.183 1.183 7.641 1.00 0.00 H new ATOM 0 HB3 MET B 29 10.572 1.700 8.098 1.00 0.00 H new ATOM 0 HG2 MET B 29 10.642 3.451 6.333 1.00 0.00 H new ATOM 0 HG3 MET B 29 12.244 2.911 5.870 1.00 0.00 H new ATOM 0 HE1 MET B 29 9.918 1.728 2.934 1.00 0.00 H new ATOM 0 HE2 MET B 29 10.244 3.249 3.798 1.00 0.00 H new ATOM 0 HE3 MET B 29 11.596 2.235 3.241 1.00 0.00 H new ATOM 1081 N SER B 30 13.780 4.822 8.345 1.00 0.00 N ATOM 1082 CA SER B 30 15.056 5.391 7.932 1.00 0.00 C ATOM 1083 C SER B 30 16.194 4.675 8.657 1.00 0.00 C ATOM 1084 O SER B 30 17.114 4.144 8.030 1.00 0.00 O ATOM 1085 CB SER B 30 15.072 6.886 8.250 1.00 0.00 C ATOM 1086 OG SER B 30 13.764 7.341 8.565 1.00 0.00 O ATOM 0 H SER B 30 13.148 5.488 8.789 1.00 0.00 H new ATOM 0 HA SER B 30 15.190 5.259 6.858 1.00 0.00 H new ATOM 0 HB2 SER B 30 15.742 7.079 9.088 1.00 0.00 H new ATOM 0 HB3 SER B 30 15.461 7.441 7.397 1.00 0.00 H new ATOM 0 HG SER B 30 13.791 8.299 8.768 1.00 0.00 H new ATOM 1092 N ALA B 31 16.109 4.664 9.985 1.00 0.00 N ATOM 1093 CA ALA B 31 17.095 3.990 10.826 1.00 0.00 C ATOM 1094 C ALA B 31 17.229 2.515 10.442 1.00 0.00 C ATOM 1095 O ALA B 31 18.266 1.895 10.680 1.00 0.00 O ATOM 1096 CB ALA B 31 16.715 4.123 12.292 1.00 0.00 C ATOM 0 H ALA B 31 15.359 5.119 10.506 1.00 0.00 H new ATOM 0 HA ALA B 31 18.061 4.469 10.667 1.00 0.00 H new ATOM 0 HB1 ALA B 31 17.458 3.616 12.908 1.00 0.00 H new ATOM 0 HB2 ALA B 31 16.677 5.178 12.564 1.00 0.00 H new ATOM 0 HB3 ALA B 31 15.737 3.670 12.457 1.00 0.00 H new ATOM 1102 N TRP B 32 16.175 1.967 9.847 1.00 0.00 N ATOM 1103 CA TRP B 32 16.170 0.580 9.410 1.00 0.00 C ATOM 1104 C TRP B 32 16.946 0.442 8.102 1.00 0.00 C ATOM 1105 O TRP B 32 17.853 -0.382 7.992 1.00 0.00 O ATOM 1106 CB TRP B 32 14.729 0.084 9.225 1.00 0.00 C ATOM 1107 CG TRP B 32 14.636 -1.206 8.469 1.00 0.00 C ATOM 1108 CD1 TRP B 32 14.971 -2.441 8.928 1.00 0.00 C ATOM 1109 CD2 TRP B 32 14.184 -1.390 7.120 1.00 0.00 C ATOM 1110 NE1 TRP B 32 14.767 -3.379 7.950 1.00 0.00 N ATOM 1111 CE2 TRP B 32 14.282 -2.762 6.832 1.00 0.00 C ATOM 1112 CE3 TRP B 32 13.710 -0.529 6.127 1.00 0.00 C ATOM 1113 CZ2 TRP B 32 13.923 -3.294 5.597 1.00 0.00 C ATOM 1114 CZ3 TRP B 32 13.353 -1.057 4.902 1.00 0.00 C ATOM 1115 CH2 TRP B 32 13.461 -2.429 4.646 1.00 0.00 C ATOM 0 H TRP B 32 15.308 2.469 9.656 1.00 0.00 H new ATOM 0 HA TRP B 32 16.652 -0.030 10.174 1.00 0.00 H new ATOM 0 HB2 TRP B 32 14.268 -0.043 10.204 1.00 0.00 H new ATOM 0 HB3 TRP B 32 14.155 0.847 8.699 1.00 0.00 H new ATOM 0 HD1 TRP B 32 15.344 -2.652 9.919 1.00 0.00 H new ATOM 0 HE1 TRP B 32 14.948 -4.378 8.042 1.00 0.00 H new ATOM 0 HE3 TRP B 32 13.624 0.531 6.314 1.00 0.00 H new ATOM 0 HZ2 TRP B 32 14.007 -4.352 5.398 1.00 0.00 H new ATOM 0 HZ3 TRP B 32 12.984 -0.400 4.128 1.00 0.00 H new ATOM 0 HH2 TRP B 32 13.173 -2.811 3.678 1.00 0.00 H new ATOM 1126 N LEU B 33 16.584 1.267 7.123 1.00 0.00 N ATOM 1127 CA LEU B 33 17.236 1.254 5.815 1.00 0.00 C ATOM 1128 C LEU B 33 18.740 1.487 5.948 1.00 0.00 C ATOM 1129 O LEU B 33 19.521 1.040 5.105 1.00 0.00 O ATOM 1130 CB LEU B 33 16.605 2.296 4.894 1.00 0.00 C ATOM 1131 CG LEU B 33 15.347 1.829 4.159 1.00 0.00 C ATOM 1132 CD1 LEU B 33 14.573 3.017 3.618 1.00 0.00 C ATOM 1133 CD2 LEU B 33 15.707 0.875 3.031 1.00 0.00 C ATOM 0 H LEU B 33 15.838 1.957 7.211 1.00 0.00 H new ATOM 0 HA LEU B 33 17.090 0.269 5.372 1.00 0.00 H new ATOM 0 HB2 LEU B 33 16.357 3.178 5.484 1.00 0.00 H new ATOM 0 HB3 LEU B 33 17.346 2.604 4.156 1.00 0.00 H new ATOM 0 HG LEU B 33 14.715 1.298 4.871 1.00 0.00 H new ATOM 0 HD11 LEU B 33 13.682 2.665 3.099 1.00 0.00 H new ATOM 0 HD12 LEU B 33 14.279 3.666 4.443 1.00 0.00 H new ATOM 0 HD13 LEU B 33 15.201 3.575 2.923 1.00 0.00 H new ATOM 0 HD21 LEU B 33 14.798 0.555 2.521 1.00 0.00 H new ATOM 0 HD22 LEU B 33 16.362 1.381 2.322 1.00 0.00 H new ATOM 0 HD23 LEU B 33 16.219 0.004 3.440 1.00 0.00 H new ATOM 1145 N ARG B 34 19.130 2.218 6.994 1.00 0.00 N ATOM 1146 CA ARG B 34 20.542 2.480 7.296 1.00 0.00 C ATOM 1147 C ARG B 34 21.352 1.177 7.385 1.00 0.00 C ATOM 1148 O ARG B 34 22.582 1.192 7.319 1.00 0.00 O ATOM 1149 CB ARG B 34 20.651 3.255 8.613 1.00 0.00 C ATOM 1150 CG ARG B 34 22.080 3.499 9.077 1.00 0.00 C ATOM 1151 CD ARG B 34 22.331 4.966 9.372 1.00 0.00 C ATOM 1152 NE ARG B 34 21.453 5.478 10.424 1.00 0.00 N ATOM 1153 CZ ARG B 34 20.504 6.395 10.227 1.00 0.00 C ATOM 1154 NH1 ARG B 34 20.254 6.853 9.007 1.00 0.00 N ATOM 1155 NH2 ARG B 34 19.788 6.838 11.253 1.00 0.00 N ATOM 0 H ARG B 34 18.480 2.644 7.654 1.00 0.00 H new ATOM 0 HA ARG B 34 20.958 3.075 6.483 1.00 0.00 H new ATOM 0 HB2 ARG B 34 20.149 4.216 8.499 1.00 0.00 H new ATOM 0 HB3 ARG B 34 20.117 2.707 9.389 1.00 0.00 H new ATOM 0 HG2 ARG B 34 22.278 2.909 9.972 1.00 0.00 H new ATOM 0 HG3 ARG B 34 22.775 3.158 8.310 1.00 0.00 H new ATOM 0 HD2 ARG B 34 23.370 5.102 9.671 1.00 0.00 H new ATOM 0 HD3 ARG B 34 22.182 5.548 8.462 1.00 0.00 H new ATOM 0 HE ARG B 34 21.574 5.111 11.368 1.00 0.00 H new ATOM 0 HH11 ARG B 34 20.789 6.504 8.212 1.00 0.00 H new ATOM 0 HH12 ARG B 34 19.527 7.554 8.864 1.00 0.00 H new ATOM 0 HH21 ARG B 34 19.964 6.477 12.191 1.00 0.00 H new ATOM 0 HH22 ARG B 34 19.062 7.539 11.104 1.00 0.00 H new ATOM 1169 N ALA B 35 20.655 0.052 7.511 1.00 0.00 N ATOM 1170 CA ALA B 35 21.306 -1.248 7.590 1.00 0.00 C ATOM 1171 C ALA B 35 22.155 -1.477 6.346 1.00 0.00 C ATOM 1172 O ALA B 35 23.233 -2.062 6.411 1.00 0.00 O ATOM 1173 CB ALA B 35 20.279 -2.359 7.749 1.00 0.00 C ATOM 0 H ALA B 35 19.637 0.016 7.561 1.00 0.00 H new ATOM 0 HA ALA B 35 21.953 -1.262 8.467 1.00 0.00 H new ATOM 0 HB1 ALA B 35 20.789 -3.321 7.806 1.00 0.00 H new ATOM 0 HB2 ALA B 35 19.707 -2.197 8.662 1.00 0.00 H new ATOM 0 HB3 ALA B 35 19.604 -2.356 6.893 1.00 0.00 H new ATOM 1179 N ILE B 36 21.660 -0.991 5.213 1.00 0.00 N ATOM 1180 CA ILE B 36 22.364 -1.111 3.941 1.00 0.00 C ATOM 1181 C ILE B 36 22.570 0.269 3.315 1.00 0.00 C ATOM 1182 O ILE B 36 22.738 0.389 2.100 1.00 0.00 O ATOM 1183 CB ILE B 36 21.597 -2.007 2.946 1.00 0.00 C ATOM 1184 CG1 ILE B 36 20.159 -1.507 2.770 1.00 0.00 C ATOM 1185 CG2 ILE B 36 21.608 -3.456 3.417 1.00 0.00 C ATOM 1186 CD1 ILE B 36 19.541 -1.896 1.444 1.00 0.00 C ATOM 0 H ILE B 36 20.765 -0.506 5.150 1.00 0.00 H new ATOM 0 HA ILE B 36 23.329 -1.573 4.149 1.00 0.00 H new ATOM 0 HB ILE B 36 22.097 -1.956 1.979 1.00 0.00 H new ATOM 0 HG12 ILE B 36 19.544 -1.903 3.578 1.00 0.00 H new ATOM 0 HG13 ILE B 36 20.147 -0.421 2.863 1.00 0.00 H new ATOM 0 HG21 ILE B 36 21.063 -4.074 2.704 1.00 0.00 H new ATOM 0 HG22 ILE B 36 22.637 -3.807 3.489 1.00 0.00 H new ATOM 0 HG23 ILE B 36 21.132 -3.524 4.395 1.00 0.00 H new ATOM 0 HD11 ILE B 36 18.524 -1.509 1.389 1.00 0.00 H new ATOM 0 HD12 ILE B 36 20.133 -1.478 0.630 1.00 0.00 H new ATOM 0 HD13 ILE B 36 19.521 -2.982 1.357 1.00 0.00 H new ATOM 1198 N GLY B 37 22.595 1.290 4.170 1.00 0.00 N ATOM 1199 CA GLY B 37 22.762 2.667 3.721 1.00 0.00 C ATOM 1200 C GLY B 37 21.814 3.068 2.601 1.00 0.00 C ATOM 1201 O GLY B 37 22.233 3.683 1.618 1.00 0.00 O ATOM 0 H GLY B 37 22.501 1.187 5.180 1.00 0.00 H new ATOM 0 HA2 GLY B 37 22.612 3.336 4.568 1.00 0.00 H new ATOM 0 HA3 GLY B 37 23.789 2.807 3.383 1.00 0.00 H new ATOM 1205 N LEU B 38 20.539 2.727 2.740 1.00 0.00 N ATOM 1206 CA LEU B 38 19.555 3.065 1.716 1.00 0.00 C ATOM 1207 C LEU B 38 18.426 3.927 2.277 1.00 0.00 C ATOM 1208 O LEU B 38 17.372 4.064 1.653 1.00 0.00 O ATOM 1209 CB LEU B 38 18.979 1.795 1.086 1.00 0.00 C ATOM 1210 CG LEU B 38 19.114 1.707 -0.436 1.00 0.00 C ATOM 1211 CD1 LEU B 38 20.549 1.389 -0.830 1.00 0.00 C ATOM 1212 CD2 LEU B 38 18.160 0.663 -0.997 1.00 0.00 C ATOM 0 H LEU B 38 20.163 2.222 3.543 1.00 0.00 H new ATOM 0 HA LEU B 38 20.070 3.645 0.950 1.00 0.00 H new ATOM 0 HB2 LEU B 38 19.474 0.931 1.530 1.00 0.00 H new ATOM 0 HB3 LEU B 38 17.923 1.726 1.346 1.00 0.00 H new ATOM 0 HG LEU B 38 18.851 2.676 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU B 38 20.624 1.331 -1.916 1.00 0.00 H new ATOM 0 HD12 LEU B 38 21.210 2.174 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU B 38 20.843 0.434 -0.394 1.00 0.00 H new ATOM 0 HD21 LEU B 38 18.270 0.614 -2.080 1.00 0.00 H new ATOM 0 HD22 LEU B 38 18.391 -0.311 -0.565 1.00 0.00 H new ATOM 0 HD23 LEU B 38 17.135 0.936 -0.748 1.00 0.00 H new ATOM 1224 N GLU B 39 18.651 4.528 3.442 1.00 0.00 N ATOM 1225 CA GLU B 39 17.641 5.380 4.078 1.00 0.00 C ATOM 1226 C GLU B 39 17.334 6.609 3.232 1.00 0.00 C ATOM 1227 O GLU B 39 16.287 7.235 3.387 1.00 0.00 O ATOM 1228 CB GLU B 39 18.100 5.814 5.473 1.00 0.00 C ATOM 1229 CG GLU B 39 19.385 6.628 5.473 1.00 0.00 C ATOM 1230 CD GLU B 39 20.613 5.778 5.706 1.00 0.00 C ATOM 1231 OE1 GLU B 39 20.872 4.873 4.891 1.00 0.00 O ATOM 1232 OE2 GLU B 39 21.321 6.018 6.706 1.00 0.00 O ATOM 0 H GLU B 39 19.521 4.443 3.967 1.00 0.00 H new ATOM 0 HA GLU B 39 16.729 4.790 4.169 1.00 0.00 H new ATOM 0 HB2 GLU B 39 17.309 6.402 5.939 1.00 0.00 H new ATOM 0 HB3 GLU B 39 18.243 4.927 6.090 1.00 0.00 H new ATOM 0 HG2 GLU B 39 19.482 7.146 4.519 1.00 0.00 H new ATOM 0 HG3 GLU B 39 19.326 7.393 6.247 1.00 0.00 H new ATOM 1239 N ARG B 40 18.235 6.926 2.314 1.00 0.00 N ATOM 1240 CA ARG B 40 18.077 8.085 1.442 1.00 0.00 C ATOM 1241 C ARG B 40 16.966 7.861 0.414 1.00 0.00 C ATOM 1242 O ARG B 40 16.670 8.741 -0.392 1.00 0.00 O ATOM 1243 CB ARG B 40 19.398 8.381 0.724 1.00 0.00 C ATOM 1244 CG ARG B 40 20.619 8.308 1.632 1.00 0.00 C ATOM 1245 CD ARG B 40 21.898 8.644 0.882 1.00 0.00 C ATOM 1246 NE ARG B 40 22.145 7.731 -0.236 1.00 0.00 N ATOM 1247 CZ ARG B 40 22.352 8.126 -1.493 1.00 0.00 C ATOM 1248 NH1 ARG B 40 22.395 9.420 -1.794 1.00 0.00 N ATOM 1249 NH2 ARG B 40 22.539 7.224 -2.448 1.00 0.00 N ATOM 0 H ARG B 40 19.090 6.394 2.152 1.00 0.00 H new ATOM 0 HA ARG B 40 17.798 8.938 2.061 1.00 0.00 H new ATOM 0 HB2 ARG B 40 19.523 7.673 -0.095 1.00 0.00 H new ATOM 0 HB3 ARG B 40 19.345 9.375 0.280 1.00 0.00 H new ATOM 0 HG2 ARG B 40 20.494 8.999 2.466 1.00 0.00 H new ATOM 0 HG3 ARG B 40 20.698 7.307 2.056 1.00 0.00 H new ATOM 0 HD2 ARG B 40 21.838 9.666 0.507 1.00 0.00 H new ATOM 0 HD3 ARG B 40 22.741 8.606 1.572 1.00 0.00 H new ATOM 0 HE ARG B 40 22.160 6.730 -0.041 1.00 0.00 H new ATOM 0 HH11 ARG B 40 22.269 10.118 -1.061 1.00 0.00 H new ATOM 0 HH12 ARG B 40 22.554 9.714 -2.758 1.00 0.00 H new ATOM 0 HH21 ARG B 40 22.524 6.230 -2.220 1.00 0.00 H new ATOM 0 HH22 ARG B 40 22.697 7.525 -3.410 1.00 0.00 H new ATOM 1263 N TYR B 41 16.356 6.681 0.443 1.00 0.00 N ATOM 1264 CA TYR B 41 15.289 6.352 -0.492 1.00 0.00 C ATOM 1265 C TYR B 41 13.941 6.208 0.213 1.00 0.00 C ATOM 1266 O TYR B 41 12.904 6.139 -0.446 1.00 0.00 O ATOM 1267 CB TYR B 41 15.625 5.059 -1.239 1.00 0.00 C ATOM 1268 CG TYR B 41 16.778 5.201 -2.207 1.00 0.00 C ATOM 1269 CD1 TYR B 41 18.092 5.038 -1.785 1.00 0.00 C ATOM 1270 CD2 TYR B 41 16.550 5.499 -3.544 1.00 0.00 C ATOM 1271 CE1 TYR B 41 19.146 5.168 -2.669 1.00 0.00 C ATOM 1272 CE2 TYR B 41 17.599 5.631 -4.434 1.00 0.00 C ATOM 1273 CZ TYR B 41 18.893 5.464 -3.991 1.00 0.00 C ATOM 1274 OH TYR B 41 19.939 5.593 -4.877 1.00 0.00 O ATOM 0 H TYR B 41 16.583 5.938 1.104 1.00 0.00 H new ATOM 0 HA TYR B 41 15.208 7.175 -1.202 1.00 0.00 H new ATOM 0 HB2 TYR B 41 15.864 4.282 -0.513 1.00 0.00 H new ATOM 0 HB3 TYR B 41 14.743 4.725 -1.785 1.00 0.00 H new ATOM 0 HD1 TYR B 41 18.293 4.806 -0.749 1.00 0.00 H new ATOM 0 HD2 TYR B 41 15.537 5.630 -3.894 1.00 0.00 H new ATOM 0 HE1 TYR B 41 20.162 5.038 -2.326 1.00 0.00 H new ATOM 0 HE2 TYR B 41 17.406 5.864 -5.471 1.00 0.00 H new ATOM 0 HH TYR B 41 20.300 4.707 -5.088 1.00 0.00 H new ATOM 1284 N GLU B 42 13.964 6.159 1.547 1.00 0.00 N ATOM 1285 CA GLU B 42 12.742 6.016 2.348 1.00 0.00 C ATOM 1286 C GLU B 42 11.653 6.993 1.910 1.00 0.00 C ATOM 1287 O GLU B 42 10.546 6.583 1.565 1.00 0.00 O ATOM 1288 CB GLU B 42 13.050 6.241 3.830 1.00 0.00 C ATOM 1289 CG GLU B 42 11.840 6.055 4.732 1.00 0.00 C ATOM 1290 CD GLU B 42 11.995 6.747 6.068 1.00 0.00 C ATOM 1291 OE1 GLU B 42 12.520 7.882 6.101 1.00 0.00 O ATOM 1292 OE2 GLU B 42 11.596 6.164 7.094 1.00 0.00 O ATOM 0 H GLU B 42 14.820 6.216 2.099 1.00 0.00 H new ATOM 0 HA GLU B 42 12.374 5.002 2.192 1.00 0.00 H new ATOM 0 HB2 GLU B 42 13.835 5.551 4.140 1.00 0.00 H new ATOM 0 HB3 GLU B 42 13.442 7.249 3.963 1.00 0.00 H new ATOM 0 HG2 GLU B 42 10.954 6.441 4.228 1.00 0.00 H new ATOM 0 HG3 GLU B 42 11.675 4.990 4.896 1.00 0.00 H new ATOM 1299 N GLU B 43 11.975 8.281 1.977 1.00 0.00 N ATOM 1300 CA GLU B 43 11.052 9.346 1.585 1.00 0.00 C ATOM 1301 C GLU B 43 10.345 9.049 0.257 1.00 0.00 C ATOM 1302 O GLU B 43 9.151 9.316 0.118 1.00 0.00 O ATOM 1303 CB GLU B 43 11.788 10.678 1.496 1.00 0.00 C ATOM 1304 CG GLU B 43 10.855 11.872 1.408 1.00 0.00 C ATOM 1305 CD GLU B 43 11.588 13.190 1.471 1.00 0.00 C ATOM 1306 OE1 GLU B 43 12.238 13.463 2.502 1.00 0.00 O ATOM 1307 OE2 GLU B 43 11.514 13.959 0.495 1.00 0.00 O ATOM 0 H GLU B 43 12.881 8.618 2.304 1.00 0.00 H new ATOM 0 HA GLU B 43 10.284 9.402 2.357 1.00 0.00 H new ATOM 0 HB2 GLU B 43 12.430 10.790 2.370 1.00 0.00 H new ATOM 0 HB3 GLU B 43 12.439 10.668 0.622 1.00 0.00 H new ATOM 0 HG2 GLU B 43 10.291 11.819 0.477 1.00 0.00 H new ATOM 0 HG3 GLU B 43 10.132 11.824 2.222 1.00 0.00 H new ATOM 1314 N GLY B 44 11.074 8.491 -0.705 1.00 0.00 N ATOM 1315 CA GLY B 44 10.484 8.173 -1.995 1.00 0.00 C ATOM 1316 C GLY B 44 9.393 7.121 -1.881 1.00 0.00 C ATOM 1317 O GLY B 44 8.384 7.181 -2.583 1.00 0.00 O ATOM 0 H GLY B 44 12.062 8.253 -0.615 1.00 0.00 H new ATOM 0 HA2 GLY B 44 10.069 9.079 -2.436 1.00 0.00 H new ATOM 0 HA3 GLY B 44 11.261 7.817 -2.671 1.00 0.00 H new ATOM 1321 N LEU B 45 9.593 6.168 -0.981 1.00 0.00 N ATOM 1322 CA LEU B 45 8.626 5.100 -0.765 1.00 0.00 C ATOM 1323 C LEU B 45 7.392 5.632 -0.037 1.00 0.00 C ATOM 1324 O LEU B 45 6.268 5.231 -0.339 1.00 0.00 O ATOM 1325 CB LEU B 45 9.270 3.957 0.026 1.00 0.00 C ATOM 1326 CG LEU B 45 10.195 3.049 -0.791 1.00 0.00 C ATOM 1327 CD1 LEU B 45 11.407 2.639 0.029 1.00 0.00 C ATOM 1328 CD2 LEU B 45 9.440 1.820 -1.273 1.00 0.00 C ATOM 0 H LEU B 45 10.420 6.113 -0.386 1.00 0.00 H new ATOM 0 HA LEU B 45 8.308 4.715 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU B 45 9.839 4.382 0.853 1.00 0.00 H new ATOM 0 HB3 LEU B 45 8.480 3.347 0.464 1.00 0.00 H new ATOM 0 HG LEU B 45 10.543 3.607 -1.660 1.00 0.00 H new ATOM 0 HD11 LEU B 45 12.051 1.995 -0.570 1.00 0.00 H new ATOM 0 HD12 LEU B 45 11.962 3.528 0.328 1.00 0.00 H new ATOM 0 HD13 LEU B 45 11.079 2.099 0.918 1.00 0.00 H new ATOM 0 HD21 LEU B 45 10.111 1.185 -1.852 1.00 0.00 H new ATOM 0 HD22 LEU B 45 9.064 1.264 -0.414 1.00 0.00 H new ATOM 0 HD23 LEU B 45 8.603 2.129 -1.899 1.00 0.00 H new ATOM 1340 N VAL B 46 7.621 6.492 0.960 1.00 0.00 N ATOM 1341 CA VAL B 46 6.541 7.126 1.736 1.00 0.00 C ATOM 1342 C VAL B 46 5.390 7.654 0.861 1.00 0.00 C ATOM 1343 O VAL B 46 4.226 7.613 1.269 1.00 0.00 O ATOM 1344 CB VAL B 46 7.097 8.287 2.597 1.00 0.00 C ATOM 1345 CG1 VAL B 46 5.989 8.970 3.386 1.00 0.00 C ATOM 1346 CG2 VAL B 46 8.183 7.783 3.537 1.00 0.00 C ATOM 0 H VAL B 46 8.557 6.770 1.255 1.00 0.00 H new ATOM 0 HA VAL B 46 6.133 6.342 2.374 1.00 0.00 H new ATOM 0 HB VAL B 46 7.532 9.023 1.921 1.00 0.00 H new ATOM 0 HG11 VAL B 46 6.412 9.780 3.980 1.00 0.00 H new ATOM 0 HG12 VAL B 46 5.247 9.374 2.697 1.00 0.00 H new ATOM 0 HG13 VAL B 46 5.513 8.246 4.047 1.00 0.00 H new ATOM 0 HG21 VAL B 46 8.562 8.613 4.134 1.00 0.00 H new ATOM 0 HG22 VAL B 46 7.768 7.021 4.197 1.00 0.00 H new ATOM 0 HG23 VAL B 46 8.998 7.354 2.954 1.00 0.00 H new ATOM 1356 N HIS B 47 5.701 8.122 -0.345 1.00 0.00 N ATOM 1357 CA HIS B 47 4.672 8.648 -1.248 1.00 0.00 C ATOM 1358 C HIS B 47 3.670 7.567 -1.648 1.00 0.00 C ATOM 1359 O HIS B 47 2.601 7.862 -2.180 1.00 0.00 O ATOM 1360 CB HIS B 47 5.296 9.240 -2.510 1.00 0.00 C ATOM 1361 CG HIS B 47 5.913 10.592 -2.306 1.00 0.00 C ATOM 1362 ND1 HIS B 47 5.275 11.780 -2.594 1.00 0.00 N ATOM 1363 CD2 HIS B 47 7.143 10.932 -1.841 1.00 0.00 C ATOM 1364 CE1 HIS B 47 6.116 12.781 -2.306 1.00 0.00 C ATOM 1365 NE2 HIS B 47 7.265 12.321 -1.846 1.00 0.00 N ATOM 0 H HIS B 47 6.649 8.149 -0.721 1.00 0.00 H new ATOM 0 HA HIS B 47 4.147 9.432 -0.702 1.00 0.00 H new ATOM 0 HB2 HIS B 47 6.059 8.556 -2.882 1.00 0.00 H new ATOM 0 HB3 HIS B 47 4.530 9.314 -3.282 1.00 0.00 H new ATOM 0 HD2 HIS B 47 7.905 10.238 -1.519 1.00 0.00 H new ATOM 0 HE1 HIS B 47 5.885 13.828 -2.433 1.00 0.00 H new ATOM 0 HE2 HIS B 47 8.075 12.869 -1.555 1.00 0.00 H new ATOM 1373 N ASN B 48 4.022 6.317 -1.403 1.00 0.00 N ATOM 1374 CA ASN B 48 3.146 5.208 -1.735 1.00 0.00 C ATOM 1375 C ASN B 48 2.673 4.508 -0.469 1.00 0.00 C ATOM 1376 O ASN B 48 2.109 3.414 -0.521 1.00 0.00 O ATOM 1377 CB ASN B 48 3.854 4.216 -2.661 1.00 0.00 C ATOM 1378 CG ASN B 48 4.118 4.795 -4.040 1.00 0.00 C ATOM 1379 OD1 ASN B 48 3.400 5.678 -4.507 1.00 0.00 O ATOM 1380 ND2 ASN B 48 5.147 4.298 -4.704 1.00 0.00 N ATOM 0 H ASN B 48 4.907 6.045 -0.976 1.00 0.00 H new ATOM 0 HA ASN B 48 2.276 5.604 -2.259 1.00 0.00 H new ATOM 0 HB2 ASN B 48 4.799 3.914 -2.210 1.00 0.00 H new ATOM 0 HB3 ASN B 48 3.246 3.317 -2.758 1.00 0.00 H new ATOM 0 HD21 ASN B 48 5.368 4.646 -5.637 1.00 0.00 H new ATOM 0 HD22 ASN B 48 5.720 3.566 -4.284 1.00 0.00 H new ATOM 1387 N GLY B 49 2.916 5.148 0.669 1.00 0.00 N ATOM 1388 CA GLY B 49 2.502 4.598 1.946 1.00 0.00 C ATOM 1389 C GLY B 49 3.351 3.434 2.397 1.00 0.00 C ATOM 1390 O GLY B 49 2.999 2.730 3.344 1.00 0.00 O ATOM 0 H GLY B 49 3.397 6.046 0.729 1.00 0.00 H new ATOM 0 HA2 GLY B 49 2.542 5.382 2.702 1.00 0.00 H new ATOM 0 HA3 GLY B 49 1.463 4.276 1.876 1.00 0.00 H new ATOM 1394 N TRP B 50 4.463 3.206 1.719 1.00 0.00 N ATOM 1395 CA TRP B 50 5.355 2.117 2.083 1.00 0.00 C ATOM 1396 C TRP B 50 6.281 2.566 3.203 1.00 0.00 C ATOM 1397 O TRP B 50 7.492 2.383 3.143 1.00 0.00 O ATOM 1398 CB TRP B 50 6.157 1.643 0.867 1.00 0.00 C ATOM 1399 CG TRP B 50 5.385 0.721 -0.031 1.00 0.00 C ATOM 1400 CD1 TRP B 50 5.118 0.898 -1.360 1.00 0.00 C ATOM 1401 CD2 TRP B 50 4.777 -0.525 0.336 1.00 0.00 C ATOM 1402 NE1 TRP B 50 4.384 -0.162 -1.837 1.00 0.00 N ATOM 1403 CE2 TRP B 50 4.163 -1.046 -0.818 1.00 0.00 C ATOM 1404 CE3 TRP B 50 4.693 -1.251 1.526 1.00 0.00 C ATOM 1405 CZ2 TRP B 50 3.477 -2.258 -0.816 1.00 0.00 C ATOM 1406 CZ3 TRP B 50 4.012 -2.453 1.525 1.00 0.00 C ATOM 1407 CH2 TRP B 50 3.412 -2.945 0.362 1.00 0.00 C ATOM 0 H TRP B 50 4.769 3.757 0.917 1.00 0.00 H new ATOM 0 HA TRP B 50 4.760 1.275 2.436 1.00 0.00 H new ATOM 0 HB2 TRP B 50 6.480 2.511 0.293 1.00 0.00 H new ATOM 0 HB3 TRP B 50 7.058 1.134 1.210 1.00 0.00 H new ATOM 0 HD1 TRP B 50 5.437 1.746 -1.948 1.00 0.00 H new ATOM 0 HE1 TRP B 50 4.057 -0.271 -2.797 1.00 0.00 H new ATOM 0 HE3 TRP B 50 5.152 -0.880 2.430 1.00 0.00 H new ATOM 0 HZ2 TRP B 50 3.013 -2.640 -1.713 1.00 0.00 H new ATOM 0 HZ3 TRP B 50 3.942 -3.023 2.440 1.00 0.00 H new ATOM 0 HH2 TRP B 50 2.886 -3.888 0.396 1.00 0.00 H new ATOM 1418 N ASP B 51 5.681 3.161 4.223 1.00 0.00 N ATOM 1419 CA ASP B 51 6.418 3.666 5.374 1.00 0.00 C ATOM 1420 C ASP B 51 6.214 2.759 6.580 1.00 0.00 C ATOM 1421 O ASP B 51 6.908 2.878 7.592 1.00 0.00 O ATOM 1422 CB ASP B 51 5.955 5.088 5.707 1.00 0.00 C ATOM 1423 CG ASP B 51 4.566 5.120 6.320 1.00 0.00 C ATOM 1424 OD1 ASP B 51 3.632 4.556 5.717 1.00 0.00 O ATOM 1425 OD2 ASP B 51 4.406 5.709 7.412 1.00 0.00 O ATOM 0 H ASP B 51 4.673 3.308 4.277 1.00 0.00 H new ATOM 0 HA ASP B 51 7.479 3.682 5.127 1.00 0.00 H new ATOM 0 HB2 ASP B 51 6.664 5.545 6.398 1.00 0.00 H new ATOM 0 HB3 ASP B 51 5.962 5.691 4.799 1.00 0.00 H new ATOM 1430 N ASP B 52 5.248 1.859 6.471 1.00 0.00 N ATOM 1431 CA ASP B 52 4.945 0.924 7.545 1.00 0.00 C ATOM 1432 C ASP B 52 5.793 -0.332 7.399 1.00 0.00 C ATOM 1433 O ASP B 52 5.614 -1.103 6.457 1.00 0.00 O ATOM 1434 CB ASP B 52 3.460 0.562 7.539 1.00 0.00 C ATOM 1435 CG ASP B 52 3.091 -0.374 8.670 1.00 0.00 C ATOM 1436 OD1 ASP B 52 3.040 0.077 9.829 1.00 0.00 O ATOM 1437 OD2 ASP B 52 2.842 -1.566 8.409 1.00 0.00 O ATOM 0 H ASP B 52 4.658 1.756 5.645 1.00 0.00 H new ATOM 0 HA ASP B 52 5.180 1.401 8.497 1.00 0.00 H new ATOM 0 HB2 ASP B 52 2.866 1.473 7.616 1.00 0.00 H new ATOM 0 HB3 ASP B 52 3.206 0.096 6.587 1.00 0.00 H new ATOM 1442 N LEU B 53 6.707 -0.529 8.341 1.00 0.00 N ATOM 1443 CA LEU B 53 7.616 -1.674 8.329 1.00 0.00 C ATOM 1444 C LEU B 53 6.877 -3.013 8.341 1.00 0.00 C ATOM 1445 O LEU B 53 7.366 -4.000 7.797 1.00 0.00 O ATOM 1446 CB LEU B 53 8.559 -1.606 9.533 1.00 0.00 C ATOM 1447 CG LEU B 53 9.909 -0.940 9.269 1.00 0.00 C ATOM 1448 CD1 LEU B 53 10.639 -0.680 10.578 1.00 0.00 C ATOM 1449 CD2 LEU B 53 10.758 -1.805 8.350 1.00 0.00 C ATOM 0 H LEU B 53 6.841 0.098 9.134 1.00 0.00 H new ATOM 0 HA LEU B 53 8.182 -1.619 7.399 1.00 0.00 H new ATOM 0 HB2 LEU B 53 8.057 -1.067 10.336 1.00 0.00 H new ATOM 0 HB3 LEU B 53 8.737 -2.620 9.892 1.00 0.00 H new ATOM 0 HG LEU B 53 9.731 0.016 8.777 1.00 0.00 H new ATOM 0 HD11 LEU B 53 11.598 -0.205 10.372 1.00 0.00 H new ATOM 0 HD12 LEU B 53 10.037 -0.023 11.206 1.00 0.00 H new ATOM 0 HD13 LEU B 53 10.805 -1.625 11.096 1.00 0.00 H new ATOM 0 HD21 LEU B 53 11.716 -1.316 8.172 1.00 0.00 H new ATOM 0 HD22 LEU B 53 10.927 -2.775 8.817 1.00 0.00 H new ATOM 0 HD23 LEU B 53 10.240 -1.945 7.401 1.00 0.00 H new ATOM 1461 N GLU B 54 5.701 -3.044 8.949 1.00 0.00 N ATOM 1462 CA GLU B 54 4.935 -4.277 9.037 1.00 0.00 C ATOM 1463 C GLU B 54 4.322 -4.656 7.696 1.00 0.00 C ATOM 1464 O GLU B 54 4.507 -5.776 7.221 1.00 0.00 O ATOM 1465 CB GLU B 54 3.861 -4.157 10.111 1.00 0.00 C ATOM 1466 CG GLU B 54 4.440 -3.959 11.499 1.00 0.00 C ATOM 1467 CD GLU B 54 3.383 -3.939 12.575 1.00 0.00 C ATOM 1468 OE1 GLU B 54 2.283 -3.414 12.316 1.00 0.00 O ATOM 1469 OE2 GLU B 54 3.652 -4.438 13.686 1.00 0.00 O ATOM 0 H GLU B 54 5.259 -2.235 9.386 1.00 0.00 H new ATOM 0 HA GLU B 54 5.621 -5.077 9.316 1.00 0.00 H new ATOM 0 HB2 GLU B 54 3.206 -3.319 9.872 1.00 0.00 H new ATOM 0 HB3 GLU B 54 3.244 -5.056 10.104 1.00 0.00 H new ATOM 0 HG2 GLU B 54 5.151 -4.758 11.709 1.00 0.00 H new ATOM 0 HG3 GLU B 54 4.997 -3.022 11.525 1.00 0.00 H new ATOM 1476 N PHE B 55 3.602 -3.730 7.074 1.00 0.00 N ATOM 1477 CA PHE B 55 2.985 -4.004 5.781 1.00 0.00 C ATOM 1478 C PHE B 55 4.054 -4.090 4.695 1.00 0.00 C ATOM 1479 O PHE B 55 3.829 -4.670 3.635 1.00 0.00 O ATOM 1480 CB PHE B 55 1.943 -2.939 5.425 1.00 0.00 C ATOM 1481 CG PHE B 55 1.016 -3.363 4.317 1.00 0.00 C ATOM 1482 CD1 PHE B 55 0.189 -4.465 4.473 1.00 0.00 C ATOM 1483 CD2 PHE B 55 0.981 -2.672 3.117 1.00 0.00 C ATOM 1484 CE1 PHE B 55 -0.657 -4.866 3.455 1.00 0.00 C ATOM 1485 CE2 PHE B 55 0.138 -3.070 2.095 1.00 0.00 C ATOM 1486 CZ PHE B 55 -0.682 -4.168 2.264 1.00 0.00 C ATOM 0 H PHE B 55 3.432 -2.793 7.439 1.00 0.00 H new ATOM 0 HA PHE B 55 2.471 -4.963 5.848 1.00 0.00 H new ATOM 0 HB2 PHE B 55 1.355 -2.705 6.312 1.00 0.00 H new ATOM 0 HB3 PHE B 55 2.455 -2.023 5.131 1.00 0.00 H new ATOM 0 HD1 PHE B 55 0.206 -5.017 5.401 1.00 0.00 H new ATOM 0 HD2 PHE B 55 1.620 -1.812 2.978 1.00 0.00 H new ATOM 0 HE1 PHE B 55 -1.298 -5.725 3.592 1.00 0.00 H new ATOM 0 HE2 PHE B 55 0.121 -2.522 1.165 1.00 0.00 H new ATOM 0 HZ PHE B 55 -1.341 -4.480 1.467 1.00 0.00 H new ATOM 1496 N LEU B 56 5.228 -3.527 4.979 1.00 0.00 N ATOM 1497 CA LEU B 56 6.348 -3.551 4.041 1.00 0.00 C ATOM 1498 C LEU B 56 6.789 -4.990 3.779 1.00 0.00 C ATOM 1499 O LEU B 56 7.471 -5.275 2.800 1.00 0.00 O ATOM 1500 CB LEU B 56 7.524 -2.737 4.591 1.00 0.00 C ATOM 1501 CG LEU B 56 8.596 -2.357 3.567 1.00 0.00 C ATOM 1502 CD1 LEU B 56 8.138 -1.179 2.722 1.00 0.00 C ATOM 1503 CD2 LEU B 56 9.905 -2.032 4.266 1.00 0.00 C ATOM 0 H LEU B 56 5.428 -3.046 5.856 1.00 0.00 H new ATOM 0 HA LEU B 56 6.020 -3.105 3.102 1.00 0.00 H new ATOM 0 HB2 LEU B 56 7.133 -1.823 5.039 1.00 0.00 H new ATOM 0 HB3 LEU B 56 7.996 -3.307 5.391 1.00 0.00 H new ATOM 0 HG LEU B 56 8.757 -3.209 2.907 1.00 0.00 H new ATOM 0 HD11 LEU B 56 8.915 -0.925 2.001 1.00 0.00 H new ATOM 0 HD12 LEU B 56 7.223 -1.445 2.192 1.00 0.00 H new ATOM 0 HD13 LEU B 56 7.947 -0.321 3.367 1.00 0.00 H new ATOM 0 HD21 LEU B 56 10.657 -1.764 3.524 1.00 0.00 H new ATOM 0 HD22 LEU B 56 9.755 -1.196 4.949 1.00 0.00 H new ATOM 0 HD23 LEU B 56 10.244 -2.903 4.827 1.00 0.00 H new ATOM 1515 N SER B 57 6.381 -5.891 4.662 1.00 0.00 N ATOM 1516 CA SER B 57 6.716 -7.300 4.530 1.00 0.00 C ATOM 1517 C SER B 57 5.911 -7.947 3.397 1.00 0.00 C ATOM 1518 O SER B 57 6.211 -9.060 2.967 1.00 0.00 O ATOM 1519 CB SER B 57 6.450 -8.022 5.852 1.00 0.00 C ATOM 1520 OG SER B 57 6.779 -7.194 6.957 1.00 0.00 O ATOM 0 H SER B 57 5.815 -5.669 5.481 1.00 0.00 H new ATOM 0 HA SER B 57 7.774 -7.385 4.284 1.00 0.00 H new ATOM 0 HB2 SER B 57 5.400 -8.310 5.909 1.00 0.00 H new ATOM 0 HB3 SER B 57 7.036 -8.940 5.894 1.00 0.00 H new ATOM 0 HG SER B 57 5.972 -6.739 7.276 1.00 0.00 H new ATOM 1526 N ASP B 58 4.886 -7.240 2.920 1.00 0.00 N ATOM 1527 CA ASP B 58 4.046 -7.736 1.830 1.00 0.00 C ATOM 1528 C ASP B 58 4.361 -6.969 0.549 1.00 0.00 C ATOM 1529 O ASP B 58 3.570 -6.932 -0.393 1.00 0.00 O ATOM 1530 CB ASP B 58 2.556 -7.590 2.180 1.00 0.00 C ATOM 1531 CG ASP B 58 1.651 -8.393 1.255 1.00 0.00 C ATOM 1532 OD1 ASP B 58 2.013 -9.539 0.914 1.00 0.00 O ATOM 1533 OD2 ASP B 58 0.565 -7.891 0.881 1.00 0.00 O ATOM 0 H ASP B 58 4.617 -6.321 3.272 1.00 0.00 H new ATOM 0 HA ASP B 58 4.259 -8.794 1.679 1.00 0.00 H new ATOM 0 HB2 ASP B 58 2.396 -7.914 3.208 1.00 0.00 H new ATOM 0 HB3 ASP B 58 2.277 -6.537 2.130 1.00 0.00 H new ATOM 1538 N ILE B 59 5.536 -6.356 0.520 1.00 0.00 N ATOM 1539 CA ILE B 59 5.958 -5.582 -0.635 1.00 0.00 C ATOM 1540 C ILE B 59 6.449 -6.496 -1.754 1.00 0.00 C ATOM 1541 O ILE B 59 6.985 -7.580 -1.504 1.00 0.00 O ATOM 1542 CB ILE B 59 7.066 -4.563 -0.263 1.00 0.00 C ATOM 1543 CG1 ILE B 59 7.092 -3.418 -1.275 1.00 0.00 C ATOM 1544 CG2 ILE B 59 8.434 -5.236 -0.188 1.00 0.00 C ATOM 1545 CD1 ILE B 59 7.973 -2.260 -0.860 1.00 0.00 C ATOM 0 H ILE B 59 6.212 -6.381 1.283 1.00 0.00 H new ATOM 0 HA ILE B 59 5.088 -5.028 -0.987 1.00 0.00 H new ATOM 0 HB ILE B 59 6.836 -4.160 0.723 1.00 0.00 H new ATOM 0 HG12 ILE B 59 7.439 -3.801 -2.235 1.00 0.00 H new ATOM 0 HG13 ILE B 59 6.076 -3.054 -1.425 1.00 0.00 H new ATOM 0 HG21 ILE B 59 9.190 -4.496 0.075 1.00 0.00 H new ATOM 0 HG22 ILE B 59 8.413 -6.019 0.571 1.00 0.00 H new ATOM 0 HG23 ILE B 59 8.677 -5.675 -1.156 1.00 0.00 H new ATOM 0 HD11 ILE B 59 7.942 -1.486 -1.627 1.00 0.00 H new ATOM 0 HD12 ILE B 59 7.614 -1.850 0.084 1.00 0.00 H new ATOM 0 HD13 ILE B 59 8.999 -2.609 -0.738 1.00 0.00 H new ATOM 1557 N THR B 60 6.239 -6.068 -2.985 1.00 0.00 N ATOM 1558 CA THR B 60 6.672 -6.832 -4.135 1.00 0.00 C ATOM 1559 C THR B 60 7.873 -6.156 -4.783 1.00 0.00 C ATOM 1560 O THR B 60 8.176 -4.996 -4.487 1.00 0.00 O ATOM 1561 CB THR B 60 5.546 -6.959 -5.183 1.00 0.00 C ATOM 1562 OG1 THR B 60 5.203 -5.661 -5.691 1.00 0.00 O ATOM 1563 CG2 THR B 60 4.311 -7.617 -4.584 1.00 0.00 C ATOM 0 H THR B 60 5.769 -5.192 -3.212 1.00 0.00 H new ATOM 0 HA THR B 60 6.941 -7.829 -3.788 1.00 0.00 H new ATOM 0 HB THR B 60 5.909 -7.587 -5.997 1.00 0.00 H new ATOM 0 HG1 THR B 60 4.679 -5.175 -5.020 1.00 0.00 H new ATOM 0 HG21 THR B 60 3.534 -7.693 -5.345 1.00 0.00 H new ATOM 0 HG22 THR B 60 4.567 -8.614 -4.226 1.00 0.00 H new ATOM 0 HG23 THR B 60 3.946 -7.015 -3.752 1.00 0.00 H new ATOM 1571 N GLU B 61 8.557 -6.878 -5.657 1.00 0.00 N ATOM 1572 CA GLU B 61 9.701 -6.328 -6.366 1.00 0.00 C ATOM 1573 C GLU B 61 9.208 -5.249 -7.325 1.00 0.00 C ATOM 1574 O GLU B 61 9.944 -4.337 -7.708 1.00 0.00 O ATOM 1575 CB GLU B 61 10.422 -7.435 -7.132 1.00 0.00 C ATOM 1576 CG GLU B 61 11.805 -7.046 -7.621 1.00 0.00 C ATOM 1577 CD GLU B 61 12.146 -7.692 -8.946 1.00 0.00 C ATOM 1578 OE1 GLU B 61 11.833 -8.884 -9.126 1.00 0.00 O ATOM 1579 OE2 GLU B 61 12.718 -7.006 -9.816 1.00 0.00 O ATOM 0 H GLU B 61 8.339 -7.846 -5.892 1.00 0.00 H new ATOM 0 HA GLU B 61 10.405 -5.891 -5.657 1.00 0.00 H new ATOM 0 HB2 GLU B 61 10.508 -8.311 -6.489 1.00 0.00 H new ATOM 0 HB3 GLU B 61 9.814 -7.726 -7.988 1.00 0.00 H new ATOM 0 HG2 GLU B 61 11.861 -5.962 -7.722 1.00 0.00 H new ATOM 0 HG3 GLU B 61 12.546 -7.335 -6.876 1.00 0.00 H new ATOM 1586 N GLU B 62 7.939 -5.368 -7.690 1.00 0.00 N ATOM 1587 CA GLU B 62 7.295 -4.427 -8.589 1.00 0.00 C ATOM 1588 C GLU B 62 6.980 -3.130 -7.851 1.00 0.00 C ATOM 1589 O GLU B 62 7.159 -2.039 -8.393 1.00 0.00 O ATOM 1590 CB GLU B 62 6.015 -5.044 -9.151 1.00 0.00 C ATOM 1591 CG GLU B 62 6.217 -6.440 -9.718 1.00 0.00 C ATOM 1592 CD GLU B 62 4.925 -7.078 -10.175 1.00 0.00 C ATOM 1593 OE1 GLU B 62 4.504 -6.817 -11.322 1.00 0.00 O ATOM 1594 OE2 GLU B 62 4.323 -7.843 -9.398 1.00 0.00 O ATOM 0 H GLU B 62 7.329 -6.120 -7.370 1.00 0.00 H new ATOM 0 HA GLU B 62 7.970 -4.201 -9.415 1.00 0.00 H new ATOM 0 HB2 GLU B 62 5.264 -5.085 -8.362 1.00 0.00 H new ATOM 0 HB3 GLU B 62 5.621 -4.395 -9.933 1.00 0.00 H new ATOM 0 HG2 GLU B 62 6.909 -6.389 -10.558 1.00 0.00 H new ATOM 0 HG3 GLU B 62 6.681 -7.072 -8.960 1.00 0.00 H new ATOM 1601 N ASP B 63 6.512 -3.263 -6.609 1.00 0.00 N ATOM 1602 CA ASP B 63 6.170 -2.111 -5.772 1.00 0.00 C ATOM 1603 C ASP B 63 7.317 -1.120 -5.677 1.00 0.00 C ATOM 1604 O ASP B 63 7.109 0.085 -5.833 1.00 0.00 O ATOM 1605 CB ASP B 63 5.772 -2.560 -4.367 1.00 0.00 C ATOM 1606 CG ASP B 63 4.282 -2.762 -4.232 1.00 0.00 C ATOM 1607 OD1 ASP B 63 3.549 -1.755 -4.105 1.00 0.00 O ATOM 1608 OD2 ASP B 63 3.834 -3.925 -4.281 1.00 0.00 O ATOM 0 H ASP B 63 6.360 -4.165 -6.157 1.00 0.00 H new ATOM 0 HA ASP B 63 5.325 -1.614 -6.249 1.00 0.00 H new ATOM 0 HB2 ASP B 63 6.286 -3.490 -4.126 1.00 0.00 H new ATOM 0 HB3 ASP B 63 6.103 -1.816 -3.643 1.00 0.00 H new ATOM 1613 N LEU B 64 8.522 -1.620 -5.400 1.00 0.00 N ATOM 1614 CA LEU B 64 9.702 -0.769 -5.304 1.00 0.00 C ATOM 1615 C LEU B 64 9.834 0.084 -6.559 1.00 0.00 C ATOM 1616 O LEU B 64 9.976 1.302 -6.481 1.00 0.00 O ATOM 1617 CB LEU B 64 10.952 -1.636 -5.116 1.00 0.00 C ATOM 1618 CG LEU B 64 10.968 -2.480 -3.841 1.00 0.00 C ATOM 1619 CD1 LEU B 64 12.158 -3.426 -3.841 1.00 0.00 C ATOM 1620 CD2 LEU B 64 11.001 -1.583 -2.615 1.00 0.00 C ATOM 0 H LEU B 64 8.703 -2.611 -5.239 1.00 0.00 H new ATOM 0 HA LEU B 64 9.598 -0.108 -4.444 1.00 0.00 H new ATOM 0 HB2 LEU B 64 11.047 -2.301 -5.975 1.00 0.00 H new ATOM 0 HB3 LEU B 64 11.828 -0.988 -5.116 1.00 0.00 H new ATOM 0 HG LEU B 64 10.057 -3.077 -3.810 1.00 0.00 H new ATOM 0 HD11 LEU B 64 12.152 -4.018 -2.926 1.00 0.00 H new ATOM 0 HD12 LEU B 64 12.095 -4.090 -4.703 1.00 0.00 H new ATOM 0 HD13 LEU B 64 13.081 -2.849 -3.894 1.00 0.00 H new ATOM 0 HD21 LEU B 64 11.012 -2.197 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU B 64 11.897 -0.963 -2.642 1.00 0.00 H new ATOM 0 HD23 LEU B 64 10.118 -0.944 -2.608 1.00 0.00 H new ATOM 1632 N GLU B 65 9.837 -0.589 -7.702 1.00 0.00 N ATOM 1633 CA GLU B 65 9.901 0.062 -9.009 1.00 0.00 C ATOM 1634 C GLU B 65 8.949 1.261 -9.111 1.00 0.00 C ATOM 1635 O GLU B 65 9.351 2.341 -9.548 1.00 0.00 O ATOM 1636 CB GLU B 65 9.580 -0.965 -10.096 1.00 0.00 C ATOM 1637 CG GLU B 65 9.289 -0.368 -11.462 1.00 0.00 C ATOM 1638 CD GLU B 65 10.050 -1.066 -12.566 1.00 0.00 C ATOM 1639 OE1 GLU B 65 10.217 -2.300 -12.488 1.00 0.00 O ATOM 1640 OE2 GLU B 65 10.479 -0.384 -13.522 1.00 0.00 O ATOM 0 H GLU B 65 9.795 -1.607 -7.752 1.00 0.00 H new ATOM 0 HA GLU B 65 10.911 0.450 -9.144 1.00 0.00 H new ATOM 0 HB2 GLU B 65 10.420 -1.654 -10.186 1.00 0.00 H new ATOM 0 HB3 GLU B 65 8.718 -1.553 -9.780 1.00 0.00 H new ATOM 0 HG2 GLU B 65 8.220 -0.432 -11.664 1.00 0.00 H new ATOM 0 HG3 GLU B 65 9.550 0.690 -11.457 1.00 0.00 H new ATOM 1647 N GLU B 66 7.702 1.085 -8.679 1.00 0.00 N ATOM 1648 CA GLU B 66 6.703 2.154 -8.748 1.00 0.00 C ATOM 1649 C GLU B 66 7.020 3.297 -7.780 1.00 0.00 C ATOM 1650 O GLU B 66 6.455 4.387 -7.883 1.00 0.00 O ATOM 1651 CB GLU B 66 5.313 1.586 -8.457 1.00 0.00 C ATOM 1652 CG GLU B 66 4.912 0.466 -9.405 1.00 0.00 C ATOM 1653 CD GLU B 66 3.610 -0.201 -9.014 1.00 0.00 C ATOM 1654 OE1 GLU B 66 2.539 0.404 -9.224 1.00 0.00 O ATOM 1655 OE2 GLU B 66 3.647 -1.337 -8.504 1.00 0.00 O ATOM 0 H GLU B 66 7.357 0.213 -8.277 1.00 0.00 H new ATOM 0 HA GLU B 66 6.726 2.565 -9.757 1.00 0.00 H new ATOM 0 HB2 GLU B 66 5.287 1.213 -7.433 1.00 0.00 H new ATOM 0 HB3 GLU B 66 4.579 2.389 -8.522 1.00 0.00 H new ATOM 0 HG2 GLU B 66 4.820 0.867 -10.414 1.00 0.00 H new ATOM 0 HG3 GLU B 66 5.704 -0.282 -9.430 1.00 0.00 H new ATOM 1662 N ALA B 67 7.921 3.044 -6.841 1.00 0.00 N ATOM 1663 CA ALA B 67 8.322 4.054 -5.870 1.00 0.00 C ATOM 1664 C ALA B 67 9.592 4.764 -6.330 1.00 0.00 C ATOM 1665 O ALA B 67 10.119 5.630 -5.636 1.00 0.00 O ATOM 1666 CB ALA B 67 8.532 3.421 -4.503 1.00 0.00 C ATOM 0 H ALA B 67 8.390 2.145 -6.730 1.00 0.00 H new ATOM 0 HA ALA B 67 7.524 4.793 -5.791 1.00 0.00 H new ATOM 0 HB1 ALA B 67 8.831 4.188 -3.789 1.00 0.00 H new ATOM 0 HB2 ALA B 67 7.603 2.958 -4.170 1.00 0.00 H new ATOM 0 HB3 ALA B 67 9.312 2.663 -4.569 1.00 0.00 H new ATOM 1672 N GLY B 68 10.079 4.385 -7.507 1.00 0.00 N ATOM 1673 CA GLY B 68 11.278 4.997 -8.045 1.00 0.00 C ATOM 1674 C GLY B 68 12.468 4.064 -8.008 1.00 0.00 C ATOM 1675 O GLY B 68 13.475 4.299 -8.673 1.00 0.00 O ATOM 0 H GLY B 68 9.664 3.664 -8.098 1.00 0.00 H new ATOM 0 HA2 GLY B 68 11.094 5.307 -9.074 1.00 0.00 H new ATOM 0 HA3 GLY B 68 11.509 5.898 -7.477 1.00 0.00 H new ATOM 1679 N VAL B 69 12.350 2.991 -7.243 1.00 0.00 N ATOM 1680 CA VAL B 69 13.429 2.023 -7.123 1.00 0.00 C ATOM 1681 C VAL B 69 13.344 1.000 -8.251 1.00 0.00 C ATOM 1682 O VAL B 69 12.930 -0.140 -8.048 1.00 0.00 O ATOM 1683 CB VAL B 69 13.398 1.301 -5.759 1.00 0.00 C ATOM 1684 CG1 VAL B 69 14.694 0.540 -5.521 1.00 0.00 C ATOM 1685 CG2 VAL B 69 13.144 2.290 -4.629 1.00 0.00 C ATOM 0 H VAL B 69 11.519 2.768 -6.696 1.00 0.00 H new ATOM 0 HA VAL B 69 14.371 2.568 -7.194 1.00 0.00 H new ATOM 0 HB VAL B 69 12.578 0.583 -5.776 1.00 0.00 H new ATOM 0 HG11 VAL B 69 14.649 0.039 -4.554 1.00 0.00 H new ATOM 0 HG12 VAL B 69 14.830 -0.202 -6.308 1.00 0.00 H new ATOM 0 HG13 VAL B 69 15.532 1.237 -5.530 1.00 0.00 H new ATOM 0 HG21 VAL B 69 13.126 1.759 -3.677 1.00 0.00 H new ATOM 0 HG22 VAL B 69 13.938 3.036 -4.613 1.00 0.00 H new ATOM 0 HG23 VAL B 69 12.185 2.784 -4.786 1.00 0.00 H new ATOM 1695 N GLN B 70 13.715 1.429 -9.449 1.00 0.00 N ATOM 1696 CA GLN B 70 13.682 0.561 -10.617 1.00 0.00 C ATOM 1697 C GLN B 70 15.013 -0.157 -10.798 1.00 0.00 C ATOM 1698 O GLN B 70 15.103 -1.145 -11.529 1.00 0.00 O ATOM 1699 CB GLN B 70 13.363 1.375 -11.869 1.00 0.00 C ATOM 1700 CG GLN B 70 12.051 2.136 -11.789 1.00 0.00 C ATOM 1701 CD GLN B 70 11.747 2.898 -13.061 1.00 0.00 C ATOM 1702 OE1 GLN B 70 12.099 4.069 -13.195 1.00 0.00 O ATOM 1703 NE2 GLN B 70 11.099 2.237 -14.006 1.00 0.00 N ATOM 0 H GLN B 70 14.043 2.376 -9.638 1.00 0.00 H new ATOM 0 HA GLN B 70 12.902 -0.185 -10.462 1.00 0.00 H new ATOM 0 HB2 GLN B 70 14.172 2.083 -12.046 1.00 0.00 H new ATOM 0 HB3 GLN B 70 13.332 0.705 -12.728 1.00 0.00 H new ATOM 0 HG2 GLN B 70 11.240 1.436 -11.585 1.00 0.00 H new ATOM 0 HG3 GLN B 70 12.089 2.833 -10.952 1.00 0.00 H new ATOM 0 HE21 GLN B 70 10.826 1.266 -13.853 1.00 0.00 H new ATOM 0 HE22 GLN B 70 10.873 2.698 -14.887 1.00 0.00 H new ATOM 1712 N ASP B 71 16.042 0.345 -10.126 1.00 0.00 N ATOM 1713 CA ASP B 71 17.376 -0.237 -10.214 1.00 0.00 C ATOM 1714 C ASP B 71 17.379 -1.667 -9.672 1.00 0.00 C ATOM 1715 O ASP B 71 16.896 -1.923 -8.567 1.00 0.00 O ATOM 1716 CB ASP B 71 18.384 0.627 -9.453 1.00 0.00 C ATOM 1717 CG ASP B 71 19.784 0.050 -9.481 1.00 0.00 C ATOM 1718 OD1 ASP B 71 20.547 0.372 -10.415 1.00 0.00 O ATOM 1719 OD2 ASP B 71 20.126 -0.720 -8.560 1.00 0.00 O ATOM 0 H ASP B 71 15.978 1.157 -9.512 1.00 0.00 H new ATOM 0 HA ASP B 71 17.669 -0.270 -11.263 1.00 0.00 H new ATOM 0 HB2 ASP B 71 18.399 1.628 -9.885 1.00 0.00 H new ATOM 0 HB3 ASP B 71 18.059 0.732 -8.418 1.00 0.00 H new ATOM 1724 N PRO B 72 17.922 -2.614 -10.455 1.00 0.00 N ATOM 1725 CA PRO B 72 17.973 -4.033 -10.082 1.00 0.00 C ATOM 1726 C PRO B 72 18.736 -4.296 -8.783 1.00 0.00 C ATOM 1727 O PRO B 72 18.248 -5.025 -7.916 1.00 0.00 O ATOM 1728 CB PRO B 72 18.683 -4.698 -11.269 1.00 0.00 C ATOM 1729 CG PRO B 72 19.389 -3.590 -11.972 1.00 0.00 C ATOM 1730 CD PRO B 72 18.540 -2.372 -11.768 1.00 0.00 C ATOM 0 HA PRO B 72 16.973 -4.423 -9.890 1.00 0.00 H new ATOM 0 HB2 PRO B 72 19.385 -5.461 -10.931 1.00 0.00 H new ATOM 0 HB3 PRO B 72 17.969 -5.191 -11.929 1.00 0.00 H new ATOM 0 HG2 PRO B 72 20.389 -3.443 -11.564 1.00 0.00 H new ATOM 0 HG3 PRO B 72 19.507 -3.812 -13.033 1.00 0.00 H new ATOM 0 HD2 PRO B 72 19.136 -1.460 -11.771 1.00 0.00 H new ATOM 0 HD3 PRO B 72 17.791 -2.266 -12.553 1.00 0.00 H new ATOM 1738 N ALA B 73 19.917 -3.704 -8.648 1.00 0.00 N ATOM 1739 CA ALA B 73 20.737 -3.895 -7.456 1.00 0.00 C ATOM 1740 C ALA B 73 20.028 -3.377 -6.210 1.00 0.00 C ATOM 1741 O ALA B 73 19.997 -4.052 -5.181 1.00 0.00 O ATOM 1742 CB ALA B 73 22.084 -3.210 -7.623 1.00 0.00 C ATOM 0 H ALA B 73 20.329 -3.088 -9.349 1.00 0.00 H new ATOM 0 HA ALA B 73 20.901 -4.965 -7.329 1.00 0.00 H new ATOM 0 HB1 ALA B 73 22.683 -3.362 -6.725 1.00 0.00 H new ATOM 0 HB2 ALA B 73 22.604 -3.634 -8.482 1.00 0.00 H new ATOM 0 HB3 ALA B 73 21.932 -2.142 -7.781 1.00 0.00 H new ATOM 1748 N HIS B 74 19.457 -2.182 -6.315 1.00 0.00 N ATOM 1749 CA HIS B 74 18.744 -1.569 -5.198 1.00 0.00 C ATOM 1750 C HIS B 74 17.590 -2.453 -4.737 1.00 0.00 C ATOM 1751 O HIS B 74 17.417 -2.685 -3.540 1.00 0.00 O ATOM 1752 CB HIS B 74 18.221 -0.184 -5.586 1.00 0.00 C ATOM 1753 CG HIS B 74 19.268 0.888 -5.564 1.00 0.00 C ATOM 1754 ND1 HIS B 74 20.286 0.989 -6.485 1.00 0.00 N ATOM 1755 CD2 HIS B 74 19.438 1.927 -4.707 1.00 0.00 C ATOM 1756 CE1 HIS B 74 21.025 2.058 -6.171 1.00 0.00 C ATOM 1757 NE2 HIS B 74 20.553 2.666 -5.098 1.00 0.00 N ATOM 0 H HIS B 74 19.474 -1.617 -7.164 1.00 0.00 H new ATOM 0 HA HIS B 74 19.447 -1.460 -4.372 1.00 0.00 H new ATOM 0 HB2 HIS B 74 17.789 -0.236 -6.586 1.00 0.00 H new ATOM 0 HB3 HIS B 74 17.416 0.094 -4.905 1.00 0.00 H new ATOM 0 HD1 HIS B 74 20.448 0.358 -7.270 1.00 0.00 H new ATOM 0 HD2 HIS B 74 18.809 2.146 -3.857 1.00 0.00 H new ATOM 0 HE1 HIS B 74 21.895 2.382 -6.723 1.00 0.00 H new ATOM 1765 N LYS B 75 16.808 -2.952 -5.692 1.00 0.00 N ATOM 1766 CA LYS B 75 15.680 -3.823 -5.377 1.00 0.00 C ATOM 1767 C LYS B 75 16.176 -5.088 -4.685 1.00 0.00 C ATOM 1768 O LYS B 75 15.657 -5.485 -3.640 1.00 0.00 O ATOM 1769 CB LYS B 75 14.906 -4.191 -6.648 1.00 0.00 C ATOM 1770 CG LYS B 75 14.176 -3.016 -7.282 1.00 0.00 C ATOM 1771 CD LYS B 75 13.288 -3.458 -8.438 1.00 0.00 C ATOM 1772 CE LYS B 75 14.102 -3.921 -9.636 1.00 0.00 C ATOM 1773 NZ LYS B 75 13.258 -4.597 -10.655 1.00 0.00 N ATOM 0 H LYS B 75 16.935 -2.768 -6.687 1.00 0.00 H new ATOM 0 HA LYS B 75 15.008 -3.287 -4.707 1.00 0.00 H new ATOM 0 HB2 LYS B 75 15.600 -4.612 -7.376 1.00 0.00 H new ATOM 0 HB3 LYS B 75 14.183 -4.971 -6.409 1.00 0.00 H new ATOM 0 HG2 LYS B 75 13.568 -2.516 -6.528 1.00 0.00 H new ATOM 0 HG3 LYS B 75 14.903 -2.287 -7.640 1.00 0.00 H new ATOM 0 HD2 LYS B 75 12.638 -4.268 -8.107 1.00 0.00 H new ATOM 0 HD3 LYS B 75 12.642 -2.632 -8.736 1.00 0.00 H new ATOM 0 HE2 LYS B 75 14.600 -3.064 -10.089 1.00 0.00 H new ATOM 0 HE3 LYS B 75 14.883 -4.604 -9.302 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 13.711 -4.519 -11.588 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 13.149 -5.601 -10.405 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 12.322 -4.145 -10.686 1.00 0.00 H new ATOM 1787 N ARG B 76 17.187 -5.705 -5.284 1.00 0.00 N ATOM 1788 CA ARG B 76 17.790 -6.918 -4.743 1.00 0.00 C ATOM 1789 C ARG B 76 18.260 -6.700 -3.303 1.00 0.00 C ATOM 1790 O ARG B 76 18.005 -7.528 -2.425 1.00 0.00 O ATOM 1791 CB ARG B 76 18.962 -7.360 -5.625 1.00 0.00 C ATOM 1792 CG ARG B 76 19.692 -8.594 -5.115 1.00 0.00 C ATOM 1793 CD ARG B 76 18.760 -9.791 -4.996 1.00 0.00 C ATOM 1794 NE ARG B 76 19.479 -11.003 -4.615 1.00 0.00 N ATOM 1795 CZ ARG B 76 19.608 -11.436 -3.362 1.00 0.00 C ATOM 1796 NH1 ARG B 76 19.080 -10.744 -2.357 1.00 0.00 N ATOM 1797 NH2 ARG B 76 20.279 -12.554 -3.112 1.00 0.00 N ATOM 0 H ARG B 76 17.611 -5.381 -6.154 1.00 0.00 H new ATOM 0 HA ARG B 76 17.035 -7.704 -4.736 1.00 0.00 H new ATOM 0 HB2 ARG B 76 18.591 -7.560 -6.630 1.00 0.00 H new ATOM 0 HB3 ARG B 76 19.673 -6.538 -5.705 1.00 0.00 H new ATOM 0 HG2 ARG B 76 20.512 -8.837 -5.791 1.00 0.00 H new ATOM 0 HG3 ARG B 76 20.134 -8.379 -4.142 1.00 0.00 H new ATOM 0 HD2 ARG B 76 17.988 -9.579 -4.256 1.00 0.00 H new ATOM 0 HD3 ARG B 76 18.253 -9.953 -5.947 1.00 0.00 H new ATOM 0 HE ARG B 76 19.911 -11.554 -5.357 1.00 0.00 H new ATOM 0 HH11 ARG B 76 18.574 -9.878 -2.544 1.00 0.00 H new ATOM 0 HH12 ARG B 76 19.181 -11.079 -1.399 1.00 0.00 H new ATOM 0 HH21 ARG B 76 20.696 -13.081 -3.879 1.00 0.00 H new ATOM 0 HH22 ARG B 76 20.378 -12.886 -2.153 1.00 0.00 H new ATOM 1811 N LEU B 77 18.953 -5.589 -3.074 1.00 0.00 N ATOM 1812 CA LEU B 77 19.451 -5.251 -1.744 1.00 0.00 C ATOM 1813 C LEU B 77 18.310 -5.094 -0.744 1.00 0.00 C ATOM 1814 O LEU B 77 18.374 -5.622 0.367 1.00 0.00 O ATOM 1815 CB LEU B 77 20.276 -3.961 -1.796 1.00 0.00 C ATOM 1816 CG LEU B 77 21.793 -4.139 -1.672 1.00 0.00 C ATOM 1817 CD1 LEU B 77 22.151 -4.834 -0.365 1.00 0.00 C ATOM 1818 CD2 LEU B 77 22.341 -4.919 -2.860 1.00 0.00 C ATOM 0 H LEU B 77 19.183 -4.905 -3.795 1.00 0.00 H new ATOM 0 HA LEU B 77 20.085 -6.072 -1.411 1.00 0.00 H new ATOM 0 HB2 LEU B 77 20.064 -3.453 -2.737 1.00 0.00 H new ATOM 0 HB3 LEU B 77 19.939 -3.303 -0.995 1.00 0.00 H new ATOM 0 HG LEU B 77 22.251 -3.150 -1.669 1.00 0.00 H new ATOM 0 HD11 LEU B 77 23.233 -4.950 -0.299 1.00 0.00 H new ATOM 0 HD12 LEU B 77 21.798 -4.235 0.474 1.00 0.00 H new ATOM 0 HD13 LEU B 77 21.679 -5.816 -0.334 1.00 0.00 H new ATOM 0 HD21 LEU B 77 23.420 -5.035 -2.753 1.00 0.00 H new ATOM 0 HD22 LEU B 77 21.872 -5.902 -2.897 1.00 0.00 H new ATOM 0 HD23 LEU B 77 22.124 -4.379 -3.781 1.00 0.00 H new ATOM 1830 N LEU B 78 17.265 -4.377 -1.142 1.00 0.00 N ATOM 1831 CA LEU B 78 16.117 -4.153 -0.269 1.00 0.00 C ATOM 1832 C LEU B 78 15.474 -5.478 0.129 1.00 0.00 C ATOM 1833 O LEU B 78 15.180 -5.704 1.305 1.00 0.00 O ATOM 1834 CB LEU B 78 15.093 -3.241 -0.949 1.00 0.00 C ATOM 1835 CG LEU B 78 14.357 -2.282 -0.007 1.00 0.00 C ATOM 1836 CD1 LEU B 78 14.053 -0.971 -0.713 1.00 0.00 C ATOM 1837 CD2 LEU B 78 13.074 -2.917 0.511 1.00 0.00 C ATOM 0 H LEU B 78 17.188 -3.942 -2.061 1.00 0.00 H new ATOM 0 HA LEU B 78 16.469 -3.659 0.637 1.00 0.00 H new ATOM 0 HB2 LEU B 78 15.602 -2.656 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU B 78 14.357 -3.862 -1.459 1.00 0.00 H new ATOM 0 HG LEU B 78 15.005 -2.074 0.844 1.00 0.00 H new ATOM 0 HD11 LEU B 78 13.530 -0.302 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU B 78 14.985 -0.506 -1.034 1.00 0.00 H new ATOM 0 HD13 LEU B 78 13.425 -1.163 -1.583 1.00 0.00 H new ATOM 0 HD21 LEU B 78 12.567 -2.220 1.178 1.00 0.00 H new ATOM 0 HD22 LEU B 78 12.421 -3.156 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU B 78 13.314 -3.830 1.055 1.00 0.00 H new ATOM 1849 N LEU B 79 15.264 -6.351 -0.852 1.00 0.00 N ATOM 1850 CA LEU B 79 14.672 -7.664 -0.603 1.00 0.00 C ATOM 1851 C LEU B 79 15.498 -8.451 0.415 1.00 0.00 C ATOM 1852 O LEU B 79 14.950 -9.160 1.261 1.00 0.00 O ATOM 1853 CB LEU B 79 14.555 -8.458 -1.908 1.00 0.00 C ATOM 1854 CG LEU B 79 13.161 -8.471 -2.546 1.00 0.00 C ATOM 1855 CD1 LEU B 79 12.728 -7.065 -2.936 1.00 0.00 C ATOM 1856 CD2 LEU B 79 13.140 -9.387 -3.759 1.00 0.00 C ATOM 0 H LEU B 79 15.495 -6.173 -1.829 1.00 0.00 H new ATOM 0 HA LEU B 79 13.674 -7.509 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU B 79 15.262 -8.047 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU B 79 14.858 -9.487 -1.716 1.00 0.00 H new ATOM 0 HG LEU B 79 12.455 -8.852 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU B 79 11.736 -7.102 -3.386 1.00 0.00 H new ATOM 0 HD12 LEU B 79 12.700 -6.433 -2.048 1.00 0.00 H new ATOM 0 HD13 LEU B 79 13.437 -6.652 -3.653 1.00 0.00 H new ATOM 0 HD21 LEU B 79 12.143 -9.384 -4.200 1.00 0.00 H new ATOM 0 HD22 LEU B 79 13.863 -9.034 -4.494 1.00 0.00 H new ATOM 0 HD23 LEU B 79 13.399 -10.401 -3.454 1.00 0.00 H new ATOM 1868 N ASP B 80 16.817 -8.308 0.341 1.00 0.00 N ATOM 1869 CA ASP B 80 17.711 -9.005 1.261 1.00 0.00 C ATOM 1870 C ASP B 80 17.634 -8.385 2.650 1.00 0.00 C ATOM 1871 O ASP B 80 17.686 -9.087 3.664 1.00 0.00 O ATOM 1872 CB ASP B 80 19.152 -8.962 0.753 1.00 0.00 C ATOM 1873 CG ASP B 80 19.897 -10.250 1.037 1.00 0.00 C ATOM 1874 OD1 ASP B 80 20.464 -10.388 2.140 1.00 0.00 O ATOM 1875 OD2 ASP B 80 19.918 -11.132 0.152 1.00 0.00 O ATOM 0 H ASP B 80 17.290 -7.718 -0.344 1.00 0.00 H new ATOM 0 HA ASP B 80 17.392 -10.046 1.319 1.00 0.00 H new ATOM 0 HB2 ASP B 80 19.152 -8.774 -0.321 1.00 0.00 H new ATOM 0 HB3 ASP B 80 19.676 -8.130 1.223 1.00 0.00 H new ATOM 1880 N THR B 81 17.493 -7.063 2.687 1.00 0.00 N ATOM 1881 CA THR B 81 17.395 -6.331 3.943 1.00 0.00 C ATOM 1882 C THR B 81 16.121 -6.725 4.686 1.00 0.00 C ATOM 1883 O THR B 81 16.104 -6.810 5.916 1.00 0.00 O ATOM 1884 CB THR B 81 17.406 -4.810 3.700 1.00 0.00 C ATOM 1885 OG1 THR B 81 18.474 -4.476 2.807 1.00 0.00 O ATOM 1886 CG2 THR B 81 17.578 -4.044 5.005 1.00 0.00 C ATOM 0 H THR B 81 17.444 -6.475 1.855 1.00 0.00 H new ATOM 0 HA THR B 81 18.262 -6.590 4.551 1.00 0.00 H new ATOM 0 HB THR B 81 16.449 -4.528 3.261 1.00 0.00 H new ATOM 0 HG1 THR B 81 18.213 -4.695 1.888 1.00 0.00 H new ATOM 0 HG21 THR B 81 17.582 -2.973 4.801 1.00 0.00 H new ATOM 0 HG22 THR B 81 16.754 -4.282 5.678 1.00 0.00 H new ATOM 0 HG23 THR B 81 18.521 -4.328 5.472 1.00 0.00 H new ATOM 1894 N LEU B 82 15.060 -6.977 3.923 1.00 0.00 N ATOM 1895 CA LEU B 82 13.786 -7.393 4.491 1.00 0.00 C ATOM 1896 C LEU B 82 13.966 -8.695 5.253 1.00 0.00 C ATOM 1897 O LEU B 82 13.418 -8.874 6.333 1.00 0.00 O ATOM 1898 CB LEU B 82 12.738 -7.574 3.391 1.00 0.00 C ATOM 1899 CG LEU B 82 12.164 -6.278 2.817 1.00 0.00 C ATOM 1900 CD1 LEU B 82 11.358 -6.567 1.562 1.00 0.00 C ATOM 1901 CD2 LEU B 82 11.301 -5.572 3.852 1.00 0.00 C ATOM 0 H LEU B 82 15.061 -6.899 2.906 1.00 0.00 H new ATOM 0 HA LEU B 82 13.439 -6.618 5.174 1.00 0.00 H new ATOM 0 HB2 LEU B 82 13.184 -8.146 2.578 1.00 0.00 H new ATOM 0 HB3 LEU B 82 11.917 -8.171 3.788 1.00 0.00 H new ATOM 0 HG LEU B 82 12.992 -5.620 2.554 1.00 0.00 H new ATOM 0 HD11 LEU B 82 10.956 -5.635 1.165 1.00 0.00 H new ATOM 0 HD12 LEU B 82 12.002 -7.032 0.815 1.00 0.00 H new ATOM 0 HD13 LEU B 82 10.537 -7.242 1.804 1.00 0.00 H new ATOM 0 HD21 LEU B 82 10.901 -4.652 3.426 1.00 0.00 H new ATOM 0 HD22 LEU B 82 10.478 -6.224 4.145 1.00 0.00 H new ATOM 0 HD23 LEU B 82 11.905 -5.334 4.728 1.00 0.00 H new ATOM 1913 N GLN B 83 14.753 -9.596 4.680 1.00 0.00 N ATOM 1914 CA GLN B 83 15.031 -10.881 5.306 1.00 0.00 C ATOM 1915 C GLN B 83 15.863 -10.683 6.569 1.00 0.00 C ATOM 1916 O GLN B 83 15.587 -11.283 7.607 1.00 0.00 O ATOM 1917 CB GLN B 83 15.770 -11.795 4.328 1.00 0.00 C ATOM 1918 CG GLN B 83 14.909 -12.258 3.165 1.00 0.00 C ATOM 1919 CD GLN B 83 13.799 -13.187 3.609 1.00 0.00 C ATOM 1920 OE1 GLN B 83 13.953 -13.944 4.565 1.00 0.00 O ATOM 1921 NE2 GLN B 83 12.673 -13.133 2.920 1.00 0.00 N ATOM 0 H GLN B 83 15.212 -9.459 3.779 1.00 0.00 H new ATOM 0 HA GLN B 83 14.085 -11.349 5.579 1.00 0.00 H new ATOM 0 HB2 GLN B 83 16.641 -11.269 3.938 1.00 0.00 H new ATOM 0 HB3 GLN B 83 16.140 -12.668 4.867 1.00 0.00 H new ATOM 0 HG2 GLN B 83 14.477 -11.390 2.667 1.00 0.00 H new ATOM 0 HG3 GLN B 83 15.535 -12.767 2.432 1.00 0.00 H new ATOM 0 HE21 GLN B 83 12.587 -12.490 2.133 1.00 0.00 H new ATOM 0 HE22 GLN B 83 11.890 -13.734 3.175 1.00 0.00 H new ATOM 1930 N LEU B 84 16.893 -9.847 6.459 1.00 0.00 N ATOM 1931 CA LEU B 84 17.784 -9.534 7.573 1.00 0.00 C ATOM 1932 C LEU B 84 17.019 -9.102 8.827 1.00 0.00 C ATOM 1933 O LEU B 84 17.269 -9.612 9.920 1.00 0.00 O ATOM 1934 CB LEU B 84 18.752 -8.426 7.149 1.00 0.00 C ATOM 1935 CG LEU B 84 19.765 -7.988 8.208 1.00 0.00 C ATOM 1936 CD1 LEU B 84 20.883 -9.008 8.336 1.00 0.00 C ATOM 1937 CD2 LEU B 84 20.326 -6.618 7.862 1.00 0.00 C ATOM 0 H LEU B 84 17.134 -9.366 5.592 1.00 0.00 H new ATOM 0 HA LEU B 84 18.332 -10.442 7.826 1.00 0.00 H new ATOM 0 HB2 LEU B 84 19.298 -8.764 6.268 1.00 0.00 H new ATOM 0 HB3 LEU B 84 18.169 -7.555 6.848 1.00 0.00 H new ATOM 0 HG LEU B 84 19.256 -7.923 9.169 1.00 0.00 H new ATOM 0 HD11 LEU B 84 21.592 -8.677 9.094 1.00 0.00 H new ATOM 0 HD12 LEU B 84 20.465 -9.972 8.626 1.00 0.00 H new ATOM 0 HD13 LEU B 84 21.395 -9.108 7.379 1.00 0.00 H new ATOM 0 HD21 LEU B 84 21.046 -6.317 8.623 1.00 0.00 H new ATOM 0 HD22 LEU B 84 20.821 -6.662 6.892 1.00 0.00 H new ATOM 0 HD23 LEU B 84 19.514 -5.892 7.823 1.00 0.00 H new ATOM 1949 N SER B 85 16.102 -8.158 8.674 1.00 0.00 N ATOM 1950 CA SER B 85 15.321 -7.670 9.803 1.00 0.00 C ATOM 1951 C SER B 85 14.114 -8.562 10.071 1.00 0.00 C ATOM 1952 O SER B 85 13.625 -8.626 11.200 1.00 0.00 O ATOM 1953 CB SER B 85 14.881 -6.238 9.542 1.00 0.00 C ATOM 1954 OG SER B 85 15.986 -5.455 9.125 1.00 0.00 O ATOM 0 H SER B 85 15.880 -7.715 7.782 1.00 0.00 H new ATOM 0 HA SER B 85 15.950 -7.695 10.693 1.00 0.00 H new ATOM 0 HB2 SER B 85 14.105 -6.222 8.777 1.00 0.00 H new ATOM 0 HB3 SER B 85 14.445 -5.813 10.446 1.00 0.00 H new ATOM 0 HG SER B 85 16.130 -4.726 9.764 1.00 0.00 H new ATOM 1960 N LYS B 86 13.658 -9.246 9.025 1.00 0.00 N ATOM 1961 CA LYS B 86 12.521 -10.154 9.104 1.00 0.00 C ATOM 1962 C LYS B 86 11.244 -9.411 9.496 1.00 0.00 C ATOM 1963 O LYS B 86 10.861 -9.455 10.686 1.00 0.00 O ATOM 1964 CB LYS B 86 12.808 -11.290 10.090 1.00 0.00 C ATOM 1965 CG LYS B 86 11.781 -12.406 10.049 1.00 0.00 C ATOM 1966 CD LYS B 86 11.364 -12.823 11.449 1.00 0.00 C ATOM 1967 CE LYS B 86 9.853 -12.801 11.607 1.00 0.00 C ATOM 1968 NZ LYS B 86 9.265 -11.500 11.188 1.00 0.00 N ATOM 1969 OXT LYS B 86 10.619 -8.801 8.606 1.00 0.00 O ATOM 0 H LYS B 86 14.070 -9.184 8.094 1.00 0.00 H new ATOM 0 HA LYS B 86 12.366 -10.584 8.114 1.00 0.00 H new ATOM 0 HB2 LYS B 86 13.792 -11.706 9.875 1.00 0.00 H new ATOM 0 HB3 LYS B 86 12.848 -10.882 11.100 1.00 0.00 H new ATOM 0 HG2 LYS B 86 10.905 -12.077 9.489 1.00 0.00 H new ATOM 0 HG3 LYS B 86 12.194 -13.264 9.519 1.00 0.00 H new ATOM 0 HD2 LYS B 86 11.739 -13.825 11.659 1.00 0.00 H new ATOM 0 HD3 LYS B 86 11.818 -12.154 12.180 1.00 0.00 H new ATOM 0 HE2 LYS B 86 9.415 -13.604 11.014 1.00 0.00 H new ATOM 0 HE3 LYS B 86 9.595 -12.996 12.648 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 8.463 -11.266 11.807 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 9.986 -10.754 11.259 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 8.934 -11.569 10.204 1.00 0.00 H new TER 1983 LYS B 86