USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 819 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 HIS : no HE2:sc= -4.4! C(o=-3.1!,f=-14!) USER MOD Set 1.2: A 52 TYR OH : rot 46:sc= 1.34 USER MOD Set 2.1: A 28 TYR OH : rot 137:sc= 0.264 USER MOD Set 2.2: A 46 GLN : amide:sc= -6.03! C(o=-5.8!,f=-7.8!) USER MOD Set 3.1: A 8 MET CE :methyl -142:sc= -0.999 (180deg=-3.76!) USER MOD Set 3.2: A 73 TYR OH : rot 157:sc= 1.26 USER MOD Single : A 4 GLN : amide:sc= -3.16 K(o=-3.2,f=-6.4!) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 10 LYS NZ :NH3+ 178:sc= 0.865 (180deg=0.847) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.253 K(o=-0.25,f=-1.3) USER MOD Single : A 24 ASN : amide:sc= -1.85! C(o=-1.9!,f=-7.6!) USER MOD Single : A 25 TYR OH : rot 110:sc= -1.06 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 83:sc= 0.149 USER MOD Single : A 50 ASN : amide:sc= 0.133 X(o=0.13,f=-0.12) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.384 K(o=-0.38,f=-3.2!) USER MOD Single : A 56 LYS NZ :NH3+ -113:sc= -0.0872 (180deg=-0.392) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0.174 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 71 ASN :FLIP amide:sc= -2.68! F(o=-3.4,f=-2.7!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 130:sc= -0.386 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -1.37! USER MOD Single : A 79 ASN : amide:sc= -0.587 K(o=-0.59,f=-5.2!) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.0887 F(o=-0.68,f=-0.089) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -90:sc= -1.05 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -1.72 K(o=-1.7,f=-6!) USER MOD Single : A 89 ASN : amide:sc= -3.86! C(o=-3.9!,f=-20!) USER MOD Single : A 97 ASN : amide:sc= -0.389 K(o=-0.39,f=-2.2!) USER MOD Single : A 101 ASN : amide:sc= -0.0889 K(o=-0.089,f=-1.8!) USER MOD Single : A 107 SER OG : rot -51:sc= 1.16 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0.663 K(o=0.66,f=-0.054) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS : no HD1:sc= -0.456 K(o=-0.46,f=-1.1) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -0.677 K(o=-0.68,f=-2.3!) USER MOD Single : A 120 LYS NZ :NH3+ 172:sc=-0.00937 (180deg=-0.04) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc=-0.00989 X(o=-0.0099,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 2 84.115 -5.166 -4.124 1.00 0.00 N ATOM 14 CA LEU A 2 84.765 -4.225 -3.168 1.00 0.00 C ATOM 15 C LEU A 2 84.163 -4.394 -1.770 1.00 0.00 C ATOM 16 O LEU A 2 84.502 -3.679 -0.847 1.00 0.00 O ATOM 17 CB LEU A 2 84.463 -2.830 -3.719 1.00 0.00 C ATOM 18 CG LEU A 2 85.747 -2.209 -4.271 1.00 0.00 C ATOM 19 CD1 LEU A 2 85.394 -1.076 -5.236 1.00 0.00 C ATOM 20 CD2 LEU A 2 86.580 -1.651 -3.115 1.00 0.00 C ATOM 0 HA LEU A 2 85.836 -4.403 -3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 2 83.710 -2.893 -4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 2 84.050 -2.198 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 2 86.320 -2.971 -4.800 1.00 0.00 H new ATOM 0 HD11 LEU A 2 86.310 -0.634 -5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 2 84.800 -1.472 -6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 2 84.821 -0.314 -4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 2 87.496 -1.208 -3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 2 86.006 -0.890 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 2 86.833 -2.457 -2.426 1.00 0.00 H new ATOM 32 N TRP A 3 83.273 -5.334 -1.606 1.00 0.00 N ATOM 33 CA TRP A 3 82.653 -5.548 -0.265 1.00 0.00 C ATOM 34 C TRP A 3 83.660 -6.199 0.688 1.00 0.00 C ATOM 35 O TRP A 3 83.618 -5.993 1.886 1.00 0.00 O ATOM 36 CB TRP A 3 81.461 -6.477 -0.517 1.00 0.00 C ATOM 37 CG TRP A 3 81.943 -7.876 -0.743 1.00 0.00 C ATOM 38 CD1 TRP A 3 82.573 -8.312 -1.858 1.00 0.00 C ATOM 39 CD2 TRP A 3 81.841 -9.026 0.146 1.00 0.00 C ATOM 40 NE1 TRP A 3 82.866 -9.656 -1.708 1.00 0.00 N ATOM 41 CE2 TRP A 3 82.435 -10.141 -0.491 1.00 0.00 C ATOM 42 CE3 TRP A 3 81.299 -9.209 1.432 1.00 0.00 C ATOM 43 CZ2 TRP A 3 82.488 -11.391 0.122 1.00 0.00 C ATOM 44 CZ3 TRP A 3 81.350 -10.469 2.052 1.00 0.00 C ATOM 45 CH2 TRP A 3 81.945 -11.557 1.397 1.00 0.00 C ATOM 0 H TRP A 3 82.948 -5.963 -2.340 1.00 0.00 H new ATOM 0 HA TRP A 3 82.342 -4.612 0.199 1.00 0.00 H new ATOM 0 HB2 TRP A 3 80.782 -6.450 0.335 1.00 0.00 H new ATOM 0 HB3 TRP A 3 80.898 -6.133 -1.384 1.00 0.00 H new ATOM 0 HD1 TRP A 3 82.809 -7.710 -2.723 1.00 0.00 H new ATOM 0 HE1 TRP A 3 83.343 -10.220 -2.412 1.00 0.00 H new ATOM 0 HE3 TRP A 3 80.841 -8.376 1.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 82.946 -12.226 -0.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 80.929 -10.600 3.038 1.00 0.00 H new ATOM 0 HH2 TRP A 3 81.983 -12.523 1.879 1.00 0.00 H new ATOM 56 N GLN A 4 84.569 -6.978 0.168 1.00 0.00 N ATOM 57 CA GLN A 4 85.576 -7.632 1.051 1.00 0.00 C ATOM 58 C GLN A 4 86.503 -6.570 1.646 1.00 0.00 C ATOM 59 O GLN A 4 86.728 -6.523 2.840 1.00 0.00 O ATOM 60 CB GLN A 4 86.357 -8.580 0.138 1.00 0.00 C ATOM 61 CG GLN A 4 85.580 -9.889 -0.025 1.00 0.00 C ATOM 62 CD GLN A 4 86.563 -11.060 -0.097 1.00 0.00 C ATOM 63 OE1 GLN A 4 87.647 -10.991 0.448 1.00 0.00 O ATOM 64 NE2 GLN A 4 86.229 -12.141 -0.748 1.00 0.00 N ATOM 0 H GLN A 4 84.658 -7.189 -0.826 1.00 0.00 H new ATOM 0 HA GLN A 4 85.118 -8.166 1.883 1.00 0.00 H new ATOM 0 HB2 GLN A 4 86.516 -8.116 -0.835 1.00 0.00 H new ATOM 0 HB3 GLN A 4 87.342 -8.780 0.561 1.00 0.00 H new ATOM 0 HG2 GLN A 4 84.896 -10.025 0.813 1.00 0.00 H new ATOM 0 HG3 GLN A 4 84.973 -9.854 -0.930 1.00 0.00 H new ATOM 0 HE21 GLN A 4 85.319 -12.200 -1.206 1.00 0.00 H new ATOM 0 HE22 GLN A 4 86.878 -12.927 -0.799 1.00 0.00 H new ATOM 73 N PHE A 5 87.035 -5.709 0.822 1.00 0.00 N ATOM 74 CA PHE A 5 87.937 -4.642 1.339 1.00 0.00 C ATOM 75 C PHE A 5 87.267 -3.917 2.508 1.00 0.00 C ATOM 76 O PHE A 5 87.918 -3.458 3.427 1.00 0.00 O ATOM 77 CB PHE A 5 88.136 -3.692 0.158 1.00 0.00 C ATOM 78 CG PHE A 5 88.817 -2.431 0.631 1.00 0.00 C ATOM 79 CD1 PHE A 5 89.919 -2.513 1.491 1.00 0.00 C ATOM 80 CD2 PHE A 5 88.348 -1.181 0.209 1.00 0.00 C ATOM 81 CE1 PHE A 5 90.553 -1.344 1.928 1.00 0.00 C ATOM 82 CE2 PHE A 5 88.982 -0.012 0.648 1.00 0.00 C ATOM 83 CZ PHE A 5 90.084 -0.094 1.506 1.00 0.00 C ATOM 0 H PHE A 5 86.884 -5.699 -0.187 1.00 0.00 H new ATOM 0 HA PHE A 5 88.884 -5.035 1.708 1.00 0.00 H new ATOM 0 HB2 PHE A 5 88.737 -4.175 -0.613 1.00 0.00 H new ATOM 0 HB3 PHE A 5 87.174 -3.450 -0.293 1.00 0.00 H new ATOM 0 HD1 PHE A 5 90.280 -3.477 1.817 1.00 0.00 H new ATOM 0 HD2 PHE A 5 87.498 -1.118 -0.454 1.00 0.00 H new ATOM 0 HE1 PHE A 5 91.404 -1.406 2.590 1.00 0.00 H new ATOM 0 HE2 PHE A 5 88.620 0.953 0.324 1.00 0.00 H new ATOM 0 HZ PHE A 5 90.573 0.808 1.843 1.00 0.00 H new ATOM 93 N ASN A 6 85.966 -3.820 2.484 1.00 0.00 N ATOM 94 CA ASN A 6 85.249 -3.135 3.595 1.00 0.00 C ATOM 95 C ASN A 6 85.371 -3.964 4.875 1.00 0.00 C ATOM 96 O ASN A 6 85.568 -3.437 5.952 1.00 0.00 O ATOM 97 CB ASN A 6 83.793 -3.057 3.141 1.00 0.00 C ATOM 98 CG ASN A 6 83.543 -1.712 2.459 1.00 0.00 C ATOM 99 OD1 ASN A 6 84.404 -1.193 1.777 1.00 0.00 O ATOM 100 ND2 ASN A 6 82.391 -1.120 2.616 1.00 0.00 N ATOM 0 H ASN A 6 85.369 -4.186 1.742 1.00 0.00 H new ATOM 0 HA ASN A 6 85.657 -2.147 3.810 1.00 0.00 H new ATOM 0 HB2 ASN A 6 83.571 -3.873 2.453 1.00 0.00 H new ATOM 0 HB3 ASN A 6 83.128 -3.172 3.997 1.00 0.00 H new ATOM 0 HD21 ASN A 6 82.214 -0.222 2.166 1.00 0.00 H new ATOM 0 HD22 ASN A 6 81.668 -1.555 3.188 1.00 0.00 H new ATOM 107 N GLY A 7 85.260 -5.259 4.763 1.00 0.00 N ATOM 108 CA GLY A 7 85.378 -6.119 5.973 1.00 0.00 C ATOM 109 C GLY A 7 86.723 -5.849 6.645 1.00 0.00 C ATOM 110 O GLY A 7 86.866 -5.970 7.846 1.00 0.00 O ATOM 0 H GLY A 7 85.093 -5.757 3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 7 84.562 -5.909 6.665 1.00 0.00 H new ATOM 0 HA3 GLY A 7 85.299 -7.170 5.697 1.00 0.00 H new ATOM 114 N MET A 8 87.710 -5.476 5.878 1.00 0.00 N ATOM 115 CA MET A 8 89.046 -5.189 6.467 1.00 0.00 C ATOM 116 C MET A 8 88.974 -3.919 7.317 1.00 0.00 C ATOM 117 O MET A 8 89.470 -3.872 8.425 1.00 0.00 O ATOM 118 CB MET A 8 89.972 -4.983 5.267 1.00 0.00 C ATOM 119 CG MET A 8 90.470 -6.342 4.770 1.00 0.00 C ATOM 120 SD MET A 8 92.055 -6.130 3.923 1.00 0.00 S ATOM 121 CE MET A 8 92.371 -7.881 3.592 1.00 0.00 C ATOM 0 H MET A 8 87.648 -5.358 4.867 1.00 0.00 H new ATOM 0 HA MET A 8 89.399 -5.991 7.116 1.00 0.00 H new ATOM 0 HB2 MET A 8 89.441 -4.464 4.469 1.00 0.00 H new ATOM 0 HB3 MET A 8 90.817 -4.355 5.549 1.00 0.00 H new ATOM 0 HG2 MET A 8 90.583 -7.029 5.609 1.00 0.00 H new ATOM 0 HG3 MET A 8 89.739 -6.783 4.092 1.00 0.00 H new ATOM 0 HE1 MET A 8 93.434 -8.089 3.716 1.00 0.00 H new ATOM 0 HE2 MET A 8 91.798 -8.492 4.290 1.00 0.00 H new ATOM 0 HE3 MET A 8 92.071 -8.118 2.571 1.00 0.00 H new ATOM 131 N ILE A 9 88.353 -2.890 6.807 1.00 0.00 N ATOM 132 CA ILE A 9 88.245 -1.625 7.589 1.00 0.00 C ATOM 133 C ILE A 9 87.444 -1.870 8.871 1.00 0.00 C ATOM 134 O ILE A 9 87.564 -1.145 9.838 1.00 0.00 O ATOM 135 CB ILE A 9 87.506 -0.651 6.671 1.00 0.00 C ATOM 136 CG1 ILE A 9 88.287 -0.490 5.364 1.00 0.00 C ATOM 137 CG2 ILE A 9 87.383 0.708 7.361 1.00 0.00 C ATOM 138 CD1 ILE A 9 87.543 0.476 4.441 1.00 0.00 C ATOM 0 H ILE A 9 87.917 -2.870 5.885 1.00 0.00 H new ATOM 0 HA ILE A 9 89.219 -1.238 7.889 1.00 0.00 H new ATOM 0 HB ILE A 9 86.511 -1.040 6.455 1.00 0.00 H new ATOM 0 HG12 ILE A 9 89.289 -0.113 5.571 1.00 0.00 H new ATOM 0 HG13 ILE A 9 88.404 -1.458 4.877 1.00 0.00 H new ATOM 0 HG21 ILE A 9 86.856 1.402 6.706 1.00 0.00 H new ATOM 0 HG22 ILE A 9 86.827 0.594 8.292 1.00 0.00 H new ATOM 0 HG23 ILE A 9 88.378 1.098 7.577 1.00 0.00 H new ATOM 0 HD11 ILE A 9 88.099 0.591 3.510 1.00 0.00 H new ATOM 0 HD12 ILE A 9 86.551 0.081 4.225 1.00 0.00 H new ATOM 0 HD13 ILE A 9 87.449 1.446 4.929 1.00 0.00 H new ATOM 150 N LYS A 10 86.629 -2.891 8.886 1.00 0.00 N ATOM 151 CA LYS A 10 85.824 -3.184 10.106 1.00 0.00 C ATOM 152 C LYS A 10 86.653 -3.997 11.102 1.00 0.00 C ATOM 153 O LYS A 10 86.478 -3.894 12.301 1.00 0.00 O ATOM 154 CB LYS A 10 84.632 -4.002 9.610 1.00 0.00 C ATOM 155 CG LYS A 10 83.546 -3.061 9.089 1.00 0.00 C ATOM 156 CD LYS A 10 82.531 -2.790 10.202 1.00 0.00 C ATOM 157 CE LYS A 10 81.395 -3.811 10.116 1.00 0.00 C ATOM 158 NZ LYS A 10 80.155 -2.995 9.994 1.00 0.00 N ATOM 0 H LYS A 10 86.486 -3.534 8.107 1.00 0.00 H new ATOM 0 HA LYS A 10 85.509 -2.276 10.619 1.00 0.00 H new ATOM 0 HB2 LYS A 10 84.948 -4.682 8.819 1.00 0.00 H new ATOM 0 HB3 LYS A 10 84.238 -4.616 10.419 1.00 0.00 H new ATOM 0 HG2 LYS A 10 83.991 -2.125 8.752 1.00 0.00 H new ATOM 0 HG3 LYS A 10 83.047 -3.505 8.227 1.00 0.00 H new ATOM 0 HD2 LYS A 10 83.017 -2.852 11.175 1.00 0.00 H new ATOM 0 HD3 LYS A 10 82.134 -1.779 10.108 1.00 0.00 H new ATOM 0 HE2 LYS A 10 81.520 -4.470 9.257 1.00 0.00 H new ATOM 0 HE3 LYS A 10 81.365 -4.445 11.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 79.333 -3.625 9.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 80.041 -2.407 10.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 80.224 -2.382 9.156 1.00 0.00 H new ATOM 172 N CYS A 11 87.554 -4.807 10.617 1.00 0.00 N ATOM 173 CA CYS A 11 88.391 -5.623 11.531 1.00 0.00 C ATOM 174 C CYS A 11 89.299 -4.713 12.357 1.00 0.00 C ATOM 175 O CYS A 11 89.341 -4.792 13.568 1.00 0.00 O ATOM 176 CB CYS A 11 89.223 -6.520 10.617 1.00 0.00 C ATOM 177 SG CYS A 11 90.131 -7.721 11.621 1.00 0.00 S ATOM 0 H CYS A 11 87.744 -4.937 9.623 1.00 0.00 H new ATOM 0 HA CYS A 11 87.792 -6.204 12.233 1.00 0.00 H new ATOM 0 HB2 CYS A 11 88.576 -7.037 9.908 1.00 0.00 H new ATOM 0 HB3 CYS A 11 89.919 -5.918 10.033 1.00 0.00 H new ATOM 182 N LYS A 12 90.022 -3.846 11.706 1.00 0.00 N ATOM 183 CA LYS A 12 90.924 -2.923 12.451 1.00 0.00 C ATOM 184 C LYS A 12 90.093 -1.875 13.194 1.00 0.00 C ATOM 185 O LYS A 12 90.452 -1.425 14.264 1.00 0.00 O ATOM 186 CB LYS A 12 91.791 -2.256 11.381 1.00 0.00 C ATOM 187 CG LYS A 12 92.452 -3.329 10.514 1.00 0.00 C ATOM 188 CD LYS A 12 93.972 -3.169 10.576 1.00 0.00 C ATOM 189 CE LYS A 12 94.525 -4.003 11.733 1.00 0.00 C ATOM 190 NZ LYS A 12 95.425 -3.079 12.477 1.00 0.00 N ATOM 0 H LYS A 12 90.028 -3.736 10.692 1.00 0.00 H new ATOM 0 HA LYS A 12 91.529 -3.444 13.193 1.00 0.00 H new ATOM 0 HB2 LYS A 12 91.181 -1.599 10.762 1.00 0.00 H new ATOM 0 HB3 LYS A 12 92.553 -1.634 11.851 1.00 0.00 H new ATOM 0 HG2 LYS A 12 92.165 -4.321 10.863 1.00 0.00 H new ATOM 0 HG3 LYS A 12 92.108 -3.242 9.483 1.00 0.00 H new ATOM 0 HD2 LYS A 12 94.421 -3.489 9.636 1.00 0.00 H new ATOM 0 HD3 LYS A 12 94.233 -2.120 10.713 1.00 0.00 H new ATOM 0 HE2 LYS A 12 93.723 -4.373 12.372 1.00 0.00 H new ATOM 0 HE3 LYS A 12 95.068 -4.874 11.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 95.843 -3.579 13.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 96.182 -2.749 11.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 94.879 -2.263 12.819 1.00 0.00 H new ATOM 204 N ILE A 13 88.979 -1.489 12.633 1.00 0.00 N ATOM 205 CA ILE A 13 88.117 -0.475 13.302 1.00 0.00 C ATOM 206 C ILE A 13 86.676 -0.982 13.371 1.00 0.00 C ATOM 207 O ILE A 13 85.835 -0.580 12.592 1.00 0.00 O ATOM 208 CB ILE A 13 88.206 0.770 12.420 1.00 0.00 C ATOM 209 CG1 ILE A 13 89.675 1.080 12.122 1.00 0.00 C ATOM 210 CG2 ILE A 13 87.574 1.956 13.148 1.00 0.00 C ATOM 211 CD1 ILE A 13 89.759 2.277 11.173 1.00 0.00 C ATOM 0 H ILE A 13 88.629 -1.833 11.739 1.00 0.00 H new ATOM 0 HA ILE A 13 88.435 -0.269 14.324 1.00 0.00 H new ATOM 0 HB ILE A 13 87.675 0.592 11.485 1.00 0.00 H new ATOM 0 HG12 ILE A 13 90.207 1.298 13.048 1.00 0.00 H new ATOM 0 HG13 ILE A 13 90.158 0.212 11.674 1.00 0.00 H new ATOM 0 HG21 ILE A 13 87.637 2.844 12.520 1.00 0.00 H new ATOM 0 HG22 ILE A 13 86.528 1.736 13.362 1.00 0.00 H new ATOM 0 HG23 ILE A 13 88.106 2.134 14.083 1.00 0.00 H new ATOM 0 HD11 ILE A 13 90.804 2.499 10.960 1.00 0.00 H new ATOM 0 HD12 ILE A 13 89.241 2.041 10.243 1.00 0.00 H new ATOM 0 HD13 ILE A 13 89.291 3.144 11.639 1.00 0.00 H new ATOM 223 N PRO A 14 86.445 -1.860 14.308 1.00 0.00 N ATOM 224 CA PRO A 14 85.096 -2.445 14.493 1.00 0.00 C ATOM 225 C PRO A 14 84.164 -1.435 15.168 1.00 0.00 C ATOM 226 O PRO A 14 82.977 -1.406 14.913 1.00 0.00 O ATOM 227 CB PRO A 14 85.348 -3.643 15.403 1.00 0.00 C ATOM 228 CG PRO A 14 86.605 -3.313 16.146 1.00 0.00 C ATOM 229 CD PRO A 14 87.415 -2.384 15.276 1.00 0.00 C ATOM 0 HA PRO A 14 84.616 -2.722 13.554 1.00 0.00 H new ATOM 0 HB2 PRO A 14 84.515 -3.799 16.088 1.00 0.00 H new ATOM 0 HB3 PRO A 14 85.461 -4.560 14.825 1.00 0.00 H new ATOM 0 HG2 PRO A 14 86.373 -2.840 17.100 1.00 0.00 H new ATOM 0 HG3 PRO A 14 87.168 -4.219 16.368 1.00 0.00 H new ATOM 0 HD2 PRO A 14 87.866 -1.583 15.861 1.00 0.00 H new ATOM 0 HD3 PRO A 14 88.228 -2.912 14.779 1.00 0.00 H new ATOM 237 N SER A 15 84.693 -0.609 16.027 1.00 0.00 N ATOM 238 CA SER A 15 83.838 0.398 16.719 1.00 0.00 C ATOM 239 C SER A 15 83.346 1.448 15.720 1.00 0.00 C ATOM 240 O SER A 15 82.499 2.262 16.028 1.00 0.00 O ATOM 241 CB SER A 15 84.748 1.038 17.765 1.00 0.00 C ATOM 242 OG SER A 15 85.478 2.101 17.167 1.00 0.00 O ATOM 0 H SER A 15 85.681 -0.587 16.280 1.00 0.00 H new ATOM 0 HA SER A 15 82.953 -0.051 17.170 1.00 0.00 H new ATOM 0 HB2 SER A 15 84.155 1.413 18.599 1.00 0.00 H new ATOM 0 HB3 SER A 15 85.434 0.294 18.171 1.00 0.00 H new ATOM 0 HG SER A 15 86.062 2.515 17.837 1.00 0.00 H new ATOM 248 N SER A 16 83.872 1.435 14.526 1.00 0.00 N ATOM 249 CA SER A 16 83.434 2.433 13.509 1.00 0.00 C ATOM 250 C SER A 16 83.025 1.726 12.214 1.00 0.00 C ATOM 251 O SER A 16 83.628 0.752 11.810 1.00 0.00 O ATOM 252 CB SER A 16 84.655 3.320 13.271 1.00 0.00 C ATOM 253 OG SER A 16 84.412 4.610 13.816 1.00 0.00 O ATOM 0 H SER A 16 84.585 0.777 14.211 1.00 0.00 H new ATOM 0 HA SER A 16 82.571 3.009 13.843 1.00 0.00 H new ATOM 0 HB2 SER A 16 85.536 2.877 13.734 1.00 0.00 H new ATOM 0 HB3 SER A 16 84.861 3.397 12.203 1.00 0.00 H new ATOM 0 HG SER A 16 85.194 5.181 13.666 1.00 0.00 H new ATOM 259 N GLU A 17 82.003 2.210 11.564 1.00 0.00 N ATOM 260 CA GLU A 17 81.551 1.569 10.296 1.00 0.00 C ATOM 261 C GLU A 17 82.091 2.346 9.091 1.00 0.00 C ATOM 262 O GLU A 17 82.055 3.560 9.068 1.00 0.00 O ATOM 263 CB GLU A 17 80.025 1.639 10.341 1.00 0.00 C ATOM 264 CG GLU A 17 79.531 1.241 11.734 1.00 0.00 C ATOM 265 CD GLU A 17 80.068 -0.145 12.093 1.00 0.00 C ATOM 266 OE1 GLU A 17 81.226 -0.231 12.468 1.00 0.00 O ATOM 267 OE2 GLU A 17 79.313 -1.098 11.987 1.00 0.00 O ATOM 0 H GLU A 17 81.460 3.023 11.856 1.00 0.00 H new ATOM 0 HA GLU A 17 81.909 0.544 10.199 1.00 0.00 H new ATOM 0 HB2 GLU A 17 79.690 2.648 10.101 1.00 0.00 H new ATOM 0 HB3 GLU A 17 79.599 0.974 9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 17 79.862 1.972 12.471 1.00 0.00 H new ATOM 0 HG3 GLU A 17 78.441 1.237 11.757 1.00 0.00 H new ATOM 274 N PRO A 18 82.580 1.613 8.128 1.00 0.00 N ATOM 275 CA PRO A 18 83.138 2.240 6.907 1.00 0.00 C ATOM 276 C PRO A 18 82.016 2.769 6.008 1.00 0.00 C ATOM 277 O PRO A 18 82.231 3.617 5.166 1.00 0.00 O ATOM 278 CB PRO A 18 83.884 1.096 6.227 1.00 0.00 C ATOM 279 CG PRO A 18 83.220 -0.151 6.720 1.00 0.00 C ATOM 280 CD PRO A 18 82.659 0.149 8.087 1.00 0.00 C ATOM 0 HA PRO A 18 83.779 3.095 7.122 1.00 0.00 H new ATOM 0 HB2 PRO A 18 83.820 1.174 5.142 1.00 0.00 H new ATOM 0 HB3 PRO A 18 84.943 1.107 6.485 1.00 0.00 H new ATOM 0 HG2 PRO A 18 82.427 -0.459 6.039 1.00 0.00 H new ATOM 0 HG3 PRO A 18 83.934 -0.973 6.770 1.00 0.00 H new ATOM 0 HD2 PRO A 18 81.679 -0.307 8.224 1.00 0.00 H new ATOM 0 HD3 PRO A 18 83.304 -0.238 8.876 1.00 0.00 H new ATOM 288 N LEU A 19 80.817 2.277 6.179 1.00 0.00 N ATOM 289 CA LEU A 19 79.690 2.758 5.328 1.00 0.00 C ATOM 290 C LEU A 19 79.314 4.193 5.711 1.00 0.00 C ATOM 291 O LEU A 19 78.580 4.861 5.010 1.00 0.00 O ATOM 292 CB LEU A 19 78.536 1.800 5.617 1.00 0.00 C ATOM 293 CG LEU A 19 78.580 0.636 4.623 1.00 0.00 C ATOM 294 CD1 LEU A 19 77.828 -0.563 5.204 1.00 0.00 C ATOM 295 CD2 LEU A 19 77.919 1.064 3.310 1.00 0.00 C ATOM 0 H LEU A 19 80.570 1.566 6.868 1.00 0.00 H new ATOM 0 HA LEU A 19 79.948 2.772 4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 19 78.608 1.424 6.638 1.00 0.00 H new ATOM 0 HB3 LEU A 19 77.584 2.325 5.537 1.00 0.00 H new ATOM 0 HG LEU A 19 79.617 0.357 4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 19 77.860 -1.391 4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 19 78.297 -0.868 6.140 1.00 0.00 H new ATOM 0 HD13 LEU A 19 76.791 -0.286 5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 19 77.949 0.237 2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 19 76.882 1.343 3.499 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.454 1.918 2.895 1.00 0.00 H new ATOM 307 N LEU A 20 79.818 4.672 6.815 1.00 0.00 N ATOM 308 CA LEU A 20 79.497 6.066 7.242 1.00 0.00 C ATOM 309 C LEU A 20 80.771 6.782 7.700 1.00 0.00 C ATOM 310 O LEU A 20 80.721 7.814 8.339 1.00 0.00 O ATOM 311 CB LEU A 20 78.505 5.932 8.407 1.00 0.00 C ATOM 312 CG LEU A 20 78.851 4.707 9.258 1.00 0.00 C ATOM 313 CD1 LEU A 20 78.594 5.020 10.733 1.00 0.00 C ATOM 314 CD2 LEU A 20 77.973 3.529 8.829 1.00 0.00 C ATOM 0 H LEU A 20 80.439 4.159 7.441 1.00 0.00 H new ATOM 0 HA LEU A 20 79.073 6.651 6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 20 78.532 6.831 9.023 1.00 0.00 H new ATOM 0 HB3 LEU A 20 77.490 5.841 8.021 1.00 0.00 H new ATOM 0 HG LEU A 20 79.902 4.452 9.119 1.00 0.00 H new ATOM 0 HD11 LEU A 20 78.840 4.148 11.338 1.00 0.00 H new ATOM 0 HD12 LEU A 20 79.215 5.862 11.040 1.00 0.00 H new ATOM 0 HD13 LEU A 20 77.543 5.274 10.873 1.00 0.00 H new ATOM 0 HD21 LEU A 20 78.217 2.655 9.433 1.00 0.00 H new ATOM 0 HD22 LEU A 20 76.923 3.787 8.971 1.00 0.00 H new ATOM 0 HD23 LEU A 20 78.153 3.305 7.777 1.00 0.00 H new ATOM 326 N ASP A 21 81.914 6.244 7.372 1.00 0.00 N ATOM 327 CA ASP A 21 83.191 6.894 7.782 1.00 0.00 C ATOM 328 C ASP A 21 84.154 6.953 6.594 1.00 0.00 C ATOM 329 O ASP A 21 84.515 8.015 6.127 1.00 0.00 O ATOM 330 CB ASP A 21 83.753 6.000 8.888 1.00 0.00 C ATOM 331 CG ASP A 21 82.991 6.256 10.189 1.00 0.00 C ATOM 332 OD1 ASP A 21 81.882 5.762 10.309 1.00 0.00 O ATOM 333 OD2 ASP A 21 83.529 6.942 11.043 1.00 0.00 O ATOM 0 H ASP A 21 82.019 5.382 6.837 1.00 0.00 H new ATOM 0 HA ASP A 21 83.045 7.919 8.124 1.00 0.00 H new ATOM 0 HB2 ASP A 21 83.664 4.952 8.603 1.00 0.00 H new ATOM 0 HB3 ASP A 21 84.814 6.203 9.030 1.00 0.00 H new ATOM 338 N PHE A 22 84.571 5.820 6.099 1.00 0.00 N ATOM 339 CA PHE A 22 85.506 5.812 4.939 1.00 0.00 C ATOM 340 C PHE A 22 84.719 5.760 3.627 1.00 0.00 C ATOM 341 O PHE A 22 85.081 5.061 2.700 1.00 0.00 O ATOM 342 CB PHE A 22 86.346 4.546 5.115 1.00 0.00 C ATOM 343 CG PHE A 22 86.958 4.542 6.495 1.00 0.00 C ATOM 344 CD1 PHE A 22 87.980 5.445 6.810 1.00 0.00 C ATOM 345 CD2 PHE A 22 86.501 3.638 7.461 1.00 0.00 C ATOM 346 CE1 PHE A 22 88.547 5.442 8.090 1.00 0.00 C ATOM 347 CE2 PHE A 22 87.066 3.635 8.740 1.00 0.00 C ATOM 348 CZ PHE A 22 88.090 4.538 9.056 1.00 0.00 C ATOM 0 H PHE A 22 84.304 4.899 6.448 1.00 0.00 H new ATOM 0 HA PHE A 22 86.126 6.708 4.901 1.00 0.00 H new ATOM 0 HB2 PHE A 22 85.724 3.661 4.978 1.00 0.00 H new ATOM 0 HB3 PHE A 22 87.129 4.507 4.357 1.00 0.00 H new ATOM 0 HD1 PHE A 22 88.331 6.144 6.066 1.00 0.00 H new ATOM 0 HD2 PHE A 22 85.711 2.942 7.218 1.00 0.00 H new ATOM 0 HE1 PHE A 22 89.337 6.137 8.332 1.00 0.00 H new ATOM 0 HE2 PHE A 22 86.713 2.937 9.484 1.00 0.00 H new ATOM 0 HZ PHE A 22 88.526 4.536 10.044 1.00 0.00 H new ATOM 358 N ASN A 23 83.645 6.496 3.539 1.00 0.00 N ATOM 359 CA ASN A 23 82.835 6.492 2.287 1.00 0.00 C ATOM 360 C ASN A 23 82.909 7.865 1.614 1.00 0.00 C ATOM 361 O ASN A 23 82.542 8.870 2.191 1.00 0.00 O ATOM 362 CB ASN A 23 81.406 6.193 2.743 1.00 0.00 C ATOM 363 CG ASN A 23 80.471 6.197 1.533 1.00 0.00 C ATOM 364 OD1 ASN A 23 80.140 7.242 1.007 1.00 0.00 O ATOM 365 ND2 ASN A 23 80.025 5.063 1.064 1.00 0.00 N ATOM 0 H ASN A 23 83.293 7.101 4.281 1.00 0.00 H new ATOM 0 HA ASN A 23 83.191 5.760 1.562 1.00 0.00 H new ATOM 0 HB2 ASN A 23 81.368 5.225 3.242 1.00 0.00 H new ATOM 0 HB3 ASN A 23 81.081 6.939 3.469 1.00 0.00 H new ATOM 0 HD21 ASN A 23 79.400 5.055 0.258 1.00 0.00 H new ATOM 0 HD22 ASN A 23 80.301 4.185 1.504 1.00 0.00 H new ATOM 372 N ASN A 24 83.387 7.919 0.400 1.00 0.00 N ATOM 373 CA ASN A 24 83.487 9.232 -0.299 1.00 0.00 C ATOM 374 C ASN A 24 84.143 10.262 0.625 1.00 0.00 C ATOM 375 O ASN A 24 83.480 11.091 1.217 1.00 0.00 O ATOM 376 CB ASN A 24 82.043 9.629 -0.609 1.00 0.00 C ATOM 377 CG ASN A 24 82.023 11.012 -1.260 1.00 0.00 C ATOM 378 OD1 ASN A 24 82.978 11.757 -1.161 1.00 0.00 O ATOM 379 ND2 ASN A 24 80.968 11.392 -1.928 1.00 0.00 N ATOM 0 H ASN A 24 83.711 7.114 -0.136 1.00 0.00 H new ATOM 0 HA ASN A 24 84.093 9.178 -1.203 1.00 0.00 H new ATOM 0 HB2 ASN A 24 81.588 8.895 -1.275 1.00 0.00 H new ATOM 0 HB3 ASN A 24 81.452 9.638 0.307 1.00 0.00 H new ATOM 0 HD21 ASN A 24 80.946 12.313 -2.366 1.00 0.00 H new ATOM 0 HD22 ASN A 24 80.166 10.768 -2.012 1.00 0.00 H new ATOM 386 N TYR A 25 85.439 10.209 0.762 1.00 0.00 N ATOM 387 CA TYR A 25 86.135 11.178 1.655 1.00 0.00 C ATOM 388 C TYR A 25 87.404 11.707 0.980 1.00 0.00 C ATOM 389 O TYR A 25 87.949 11.085 0.090 1.00 0.00 O ATOM 390 CB TYR A 25 86.485 10.365 2.903 1.00 0.00 C ATOM 391 CG TYR A 25 87.338 11.192 3.835 1.00 0.00 C ATOM 392 CD1 TYR A 25 86.733 12.059 4.754 1.00 0.00 C ATOM 393 CD2 TYR A 25 88.732 11.086 3.786 1.00 0.00 C ATOM 394 CE1 TYR A 25 87.524 12.821 5.622 1.00 0.00 C ATOM 395 CE2 TYR A 25 89.524 11.848 4.654 1.00 0.00 C ATOM 396 CZ TYR A 25 88.920 12.716 5.572 1.00 0.00 C ATOM 397 OH TYR A 25 89.699 13.467 6.428 1.00 0.00 O ATOM 0 H TYR A 25 86.047 9.536 0.294 1.00 0.00 H new ATOM 0 HA TYR A 25 85.521 12.048 1.888 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.573 10.053 3.412 1.00 0.00 H new ATOM 0 HB3 TYR A 25 87.017 9.457 2.618 1.00 0.00 H new ATOM 0 HD1 TYR A 25 85.657 12.140 4.793 1.00 0.00 H new ATOM 0 HD2 TYR A 25 89.198 10.416 3.078 1.00 0.00 H new ATOM 0 HE1 TYR A 25 87.058 13.490 6.330 1.00 0.00 H new ATOM 0 HE2 TYR A 25 90.600 11.766 4.615 1.00 0.00 H new ATOM 0 HH TYR A 25 90.116 12.879 7.092 1.00 0.00 H new ATOM 407 N GLY A 26 87.880 12.851 1.394 1.00 0.00 N ATOM 408 CA GLY A 26 89.114 13.412 0.773 1.00 0.00 C ATOM 409 C GLY A 26 89.044 13.249 -0.743 1.00 0.00 C ATOM 410 O GLY A 26 88.007 12.953 -1.301 1.00 0.00 O ATOM 0 H GLY A 26 87.468 13.420 2.134 1.00 0.00 H new ATOM 0 HA2 GLY A 26 89.216 14.466 1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 26 89.994 12.901 1.164 1.00 0.00 H new ATOM 414 N CYS A 27 90.143 13.445 -1.414 1.00 0.00 N ATOM 415 CA CYS A 27 90.145 13.305 -2.897 1.00 0.00 C ATOM 416 C CYS A 27 90.439 11.855 -3.301 1.00 0.00 C ATOM 417 O CYS A 27 90.122 11.434 -4.395 1.00 0.00 O ATOM 418 CB CYS A 27 91.257 14.238 -3.381 1.00 0.00 C ATOM 419 SG CYS A 27 90.726 15.073 -4.897 1.00 0.00 S ATOM 0 H CYS A 27 91.041 13.696 -1.000 1.00 0.00 H new ATOM 0 HA CYS A 27 89.180 13.559 -3.335 1.00 0.00 H new ATOM 0 HB2 CYS A 27 91.491 14.973 -2.611 1.00 0.00 H new ATOM 0 HB3 CYS A 27 92.168 13.670 -3.566 1.00 0.00 H new ATOM 424 N TYR A 28 91.045 11.087 -2.433 1.00 0.00 N ATOM 425 CA TYR A 28 91.353 9.671 -2.787 1.00 0.00 C ATOM 426 C TYR A 28 90.298 8.723 -2.204 1.00 0.00 C ATOM 427 O TYR A 28 89.720 7.921 -2.910 1.00 0.00 O ATOM 428 CB TYR A 28 92.725 9.403 -2.170 1.00 0.00 C ATOM 429 CG TYR A 28 93.730 10.369 -2.754 1.00 0.00 C ATOM 430 CD1 TYR A 28 94.313 10.105 -3.999 1.00 0.00 C ATOM 431 CD2 TYR A 28 94.071 11.533 -2.054 1.00 0.00 C ATOM 432 CE1 TYR A 28 95.239 11.003 -4.544 1.00 0.00 C ATOM 433 CE2 TYR A 28 94.997 12.431 -2.599 1.00 0.00 C ATOM 434 CZ TYR A 28 95.581 12.165 -3.843 1.00 0.00 C ATOM 435 OH TYR A 28 96.492 13.051 -4.380 1.00 0.00 O ATOM 0 H TYR A 28 91.338 11.377 -1.500 1.00 0.00 H new ATOM 0 HA TYR A 28 91.349 9.507 -3.865 1.00 0.00 H new ATOM 0 HB2 TYR A 28 92.679 9.518 -1.087 1.00 0.00 H new ATOM 0 HB3 TYR A 28 93.032 8.376 -2.368 1.00 0.00 H new ATOM 0 HD1 TYR A 28 94.048 9.208 -4.540 1.00 0.00 H new ATOM 0 HD2 TYR A 28 93.620 11.738 -1.094 1.00 0.00 H new ATOM 0 HE1 TYR A 28 95.689 10.799 -5.504 1.00 0.00 H new ATOM 0 HE2 TYR A 28 95.261 13.329 -2.060 1.00 0.00 H new ATOM 0 HH TYR A 28 96.170 13.968 -4.255 1.00 0.00 H new ATOM 445 N CYS A 29 90.040 8.804 -0.926 1.00 0.00 N ATOM 446 CA CYS A 29 89.022 7.899 -0.314 1.00 0.00 C ATOM 447 C CYS A 29 87.688 8.024 -1.056 1.00 0.00 C ATOM 448 O CYS A 29 87.061 9.064 -1.052 1.00 0.00 O ATOM 449 CB CYS A 29 88.871 8.375 1.132 1.00 0.00 C ATOM 450 SG CYS A 29 90.471 8.280 1.972 1.00 0.00 S ATOM 0 H CYS A 29 90.488 9.455 -0.281 1.00 0.00 H new ATOM 0 HA CYS A 29 89.324 6.853 -0.367 1.00 0.00 H new ATOM 0 HB2 CYS A 29 88.499 9.399 1.151 1.00 0.00 H new ATOM 0 HB3 CYS A 29 88.138 7.760 1.653 1.00 0.00 H new ATOM 455 N GLY A 30 87.247 6.971 -1.688 1.00 0.00 N ATOM 456 CA GLY A 30 85.952 7.035 -2.423 1.00 0.00 C ATOM 457 C GLY A 30 86.113 6.408 -3.808 1.00 0.00 C ATOM 458 O GLY A 30 87.069 5.708 -4.077 1.00 0.00 O ATOM 0 H GLY A 30 87.726 6.071 -1.727 1.00 0.00 H new ATOM 0 HA2 GLY A 30 85.179 6.509 -1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 30 85.628 8.071 -2.518 1.00 0.00 H new ATOM 506 N GLY A 35 93.642 14.754 -7.116 1.00 0.00 N ATOM 507 CA GLY A 35 94.225 16.011 -6.567 1.00 0.00 C ATOM 508 C GLY A 35 94.809 15.751 -5.175 1.00 0.00 C ATOM 509 O GLY A 35 94.663 14.681 -4.618 1.00 0.00 O ATOM 0 HA2 GLY A 35 95.003 16.383 -7.234 1.00 0.00 H new ATOM 0 HA3 GLY A 35 93.458 16.783 -6.511 1.00 0.00 H new ATOM 513 N THR A 36 95.470 16.726 -4.612 1.00 0.00 N ATOM 514 CA THR A 36 96.069 16.547 -3.257 1.00 0.00 C ATOM 515 C THR A 36 94.991 16.143 -2.248 1.00 0.00 C ATOM 516 O THR A 36 93.845 16.528 -2.375 1.00 0.00 O ATOM 517 CB THR A 36 96.650 17.921 -2.908 1.00 0.00 C ATOM 518 OG1 THR A 36 97.780 18.175 -3.731 1.00 0.00 O ATOM 519 CG2 THR A 36 97.073 17.955 -1.438 1.00 0.00 C ATOM 0 H THR A 36 95.622 17.642 -5.033 1.00 0.00 H new ATOM 0 HA THR A 36 96.826 15.763 -3.235 1.00 0.00 H new ATOM 0 HB THR A 36 95.890 18.684 -3.077 1.00 0.00 H new ATOM 0 HG1 THR A 36 98.153 19.054 -3.512 1.00 0.00 H new ATOM 0 HG21 THR A 36 97.485 18.936 -1.200 1.00 0.00 H new ATOM 0 HG22 THR A 36 96.206 17.762 -0.805 1.00 0.00 H new ATOM 0 HG23 THR A 36 97.830 17.191 -1.259 1.00 0.00 H new ATOM 527 N PRO A 37 95.401 15.380 -1.270 1.00 0.00 N ATOM 528 CA PRO A 37 94.463 14.918 -0.218 1.00 0.00 C ATOM 529 C PRO A 37 94.103 16.074 0.722 1.00 0.00 C ATOM 530 O PRO A 37 94.536 17.193 0.537 1.00 0.00 O ATOM 531 CB PRO A 37 95.252 13.839 0.517 1.00 0.00 C ATOM 532 CG PRO A 37 96.690 14.175 0.275 1.00 0.00 C ATOM 533 CD PRO A 37 96.763 14.879 -1.056 1.00 0.00 C ATOM 0 HA PRO A 37 93.518 14.548 -0.616 1.00 0.00 H new ATOM 0 HB2 PRO A 37 95.021 13.838 1.582 1.00 0.00 H new ATOM 0 HB3 PRO A 37 95.010 12.846 0.138 1.00 0.00 H new ATOM 0 HG2 PRO A 37 97.075 14.813 1.070 1.00 0.00 H new ATOM 0 HG3 PRO A 37 97.300 13.272 0.267 1.00 0.00 H new ATOM 0 HD2 PRO A 37 97.489 15.692 -1.038 1.00 0.00 H new ATOM 0 HD3 PRO A 37 97.067 14.198 -1.851 1.00 0.00 H new ATOM 541 N VAL A 38 93.307 15.814 1.725 1.00 0.00 N ATOM 542 CA VAL A 38 92.917 16.904 2.666 1.00 0.00 C ATOM 543 C VAL A 38 93.219 16.503 4.114 1.00 0.00 C ATOM 544 O VAL A 38 93.226 17.328 5.007 1.00 0.00 O ATOM 545 CB VAL A 38 91.412 17.075 2.464 1.00 0.00 C ATOM 546 CG1 VAL A 38 91.123 17.324 0.983 1.00 0.00 C ATOM 547 CG2 VAL A 38 90.691 15.803 2.915 1.00 0.00 C ATOM 0 H VAL A 38 92.911 14.897 1.933 1.00 0.00 H new ATOM 0 HA VAL A 38 93.468 17.825 2.476 1.00 0.00 H new ATOM 0 HB VAL A 38 91.059 17.922 3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 38 90.050 17.446 0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 38 91.638 18.228 0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 38 91.475 16.475 0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 38 89.617 15.923 2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 38 91.043 14.957 2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 38 90.898 15.622 3.970 1.00 0.00 H new ATOM 557 N ASP A 39 93.463 15.245 4.357 1.00 0.00 N ATOM 558 CA ASP A 39 93.760 14.800 5.749 1.00 0.00 C ATOM 559 C ASP A 39 94.635 13.544 5.725 1.00 0.00 C ATOM 560 O ASP A 39 94.746 12.873 4.717 1.00 0.00 O ATOM 561 CB ASP A 39 92.394 14.490 6.362 1.00 0.00 C ATOM 562 CG ASP A 39 92.586 13.858 7.742 1.00 0.00 C ATOM 563 OD1 ASP A 39 92.920 12.685 7.793 1.00 0.00 O ATOM 564 OD2 ASP A 39 92.394 14.555 8.724 1.00 0.00 O ATOM 0 H ASP A 39 93.470 14.506 3.654 1.00 0.00 H new ATOM 0 HA ASP A 39 94.302 15.554 6.319 1.00 0.00 H new ATOM 0 HB2 ASP A 39 91.806 15.404 6.447 1.00 0.00 H new ATOM 0 HB3 ASP A 39 91.838 13.812 5.714 1.00 0.00 H new ATOM 569 N ASP A 40 95.255 13.218 6.825 1.00 0.00 N ATOM 570 CA ASP A 40 96.121 12.005 6.860 1.00 0.00 C ATOM 571 C ASP A 40 95.344 10.788 6.352 1.00 0.00 C ATOM 572 O ASP A 40 95.878 9.943 5.663 1.00 0.00 O ATOM 573 CB ASP A 40 96.496 11.826 8.330 1.00 0.00 C ATOM 574 CG ASP A 40 97.614 12.803 8.694 1.00 0.00 C ATOM 575 OD1 ASP A 40 97.679 13.855 8.079 1.00 0.00 O ATOM 576 OD2 ASP A 40 98.387 12.484 9.584 1.00 0.00 O ATOM 0 H ASP A 40 95.200 13.738 7.701 1.00 0.00 H new ATOM 0 HA ASP A 40 97.002 12.108 6.226 1.00 0.00 H new ATOM 0 HB2 ASP A 40 95.626 12.001 8.962 1.00 0.00 H new ATOM 0 HB3 ASP A 40 96.821 10.801 8.511 1.00 0.00 H new ATOM 581 N LEU A 41 94.084 10.691 6.679 1.00 0.00 N ATOM 582 CA LEU A 41 93.285 9.525 6.204 1.00 0.00 C ATOM 583 C LEU A 41 93.250 9.511 4.674 1.00 0.00 C ATOM 584 O LEU A 41 93.431 8.486 4.047 1.00 0.00 O ATOM 585 CB LEU A 41 91.881 9.737 6.769 1.00 0.00 C ATOM 586 CG LEU A 41 91.091 8.431 6.664 1.00 0.00 C ATOM 587 CD1 LEU A 41 91.781 7.351 7.499 1.00 0.00 C ATOM 588 CD2 LEU A 41 89.669 8.646 7.186 1.00 0.00 C ATOM 0 H LEU A 41 93.575 11.365 7.251 1.00 0.00 H new ATOM 0 HA LEU A 41 93.708 8.574 6.529 1.00 0.00 H new ATOM 0 HB2 LEU A 41 91.940 10.057 7.809 1.00 0.00 H new ATOM 0 HB3 LEU A 41 91.371 10.529 6.220 1.00 0.00 H new ATOM 0 HG LEU A 41 91.050 8.117 5.621 1.00 0.00 H new ATOM 0 HD11 LEU A 41 91.219 6.420 7.425 1.00 0.00 H new ATOM 0 HD12 LEU A 41 92.793 7.195 7.127 1.00 0.00 H new ATOM 0 HD13 LEU A 41 91.823 7.668 8.541 1.00 0.00 H new ATOM 0 HD21 LEU A 41 89.109 7.714 7.110 1.00 0.00 H new ATOM 0 HD22 LEU A 41 89.708 8.962 8.228 1.00 0.00 H new ATOM 0 HD23 LEU A 41 89.176 9.415 6.592 1.00 0.00 H new ATOM 600 N ASP A 42 93.027 10.647 4.070 1.00 0.00 N ATOM 601 CA ASP A 42 92.989 10.701 2.582 1.00 0.00 C ATOM 602 C ASP A 42 94.314 10.189 2.019 1.00 0.00 C ATOM 603 O ASP A 42 94.353 9.497 1.021 1.00 0.00 O ATOM 604 CB ASP A 42 92.795 12.179 2.243 1.00 0.00 C ATOM 605 CG ASP A 42 92.223 12.306 0.830 1.00 0.00 C ATOM 606 OD1 ASP A 42 92.016 11.282 0.202 1.00 0.00 O ATOM 607 OD2 ASP A 42 92.002 13.427 0.402 1.00 0.00 O ATOM 0 H ASP A 42 92.870 11.537 4.542 1.00 0.00 H new ATOM 0 HA ASP A 42 92.196 10.084 2.159 1.00 0.00 H new ATOM 0 HB2 ASP A 42 92.121 12.643 2.963 1.00 0.00 H new ATOM 0 HB3 ASP A 42 93.746 12.707 2.311 1.00 0.00 H new ATOM 612 N ARG A 43 95.400 10.518 2.662 1.00 0.00 N ATOM 613 CA ARG A 43 96.725 10.046 2.181 1.00 0.00 C ATOM 614 C ARG A 43 96.739 8.522 2.120 1.00 0.00 C ATOM 615 O ARG A 43 97.297 7.927 1.218 1.00 0.00 O ATOM 616 CB ARG A 43 97.716 10.543 3.232 1.00 0.00 C ATOM 617 CG ARG A 43 98.115 11.980 2.912 1.00 0.00 C ATOM 618 CD ARG A 43 99.618 12.046 2.653 1.00 0.00 C ATOM 619 NE ARG A 43 99.903 10.940 1.708 1.00 0.00 N ATOM 620 CZ ARG A 43 101.083 10.832 1.162 1.00 0.00 C ATOM 621 NH1 ARG A 43 102.155 10.922 1.900 1.00 0.00 N ATOM 622 NH2 ARG A 43 101.191 10.636 -0.123 1.00 0.00 N ATOM 0 H ARG A 43 95.425 11.095 3.502 1.00 0.00 H new ATOM 0 HA ARG A 43 96.965 10.412 1.183 1.00 0.00 H new ATOM 0 HB2 ARG A 43 97.268 10.491 4.224 1.00 0.00 H new ATOM 0 HB3 ARG A 43 98.599 9.904 3.247 1.00 0.00 H new ATOM 0 HG2 ARG A 43 97.569 12.334 2.038 1.00 0.00 H new ATOM 0 HG3 ARG A 43 97.849 12.636 3.741 1.00 0.00 H new ATOM 0 HD2 ARG A 43 99.902 13.009 2.228 1.00 0.00 H new ATOM 0 HD3 ARG A 43 100.182 11.927 3.578 1.00 0.00 H new ATOM 0 HE ARG A 43 99.175 10.262 1.484 1.00 0.00 H new ATOM 0 HH11 ARG A 43 102.071 11.077 2.905 1.00 0.00 H new ATOM 0 HH12 ARG A 43 103.077 10.837 1.472 1.00 0.00 H new ATOM 0 HH21 ARG A 43 100.353 10.567 -0.701 1.00 0.00 H new ATOM 0 HH22 ARG A 43 102.113 10.552 -0.550 1.00 0.00 H new ATOM 636 N CYS A 44 96.131 7.886 3.079 1.00 0.00 N ATOM 637 CA CYS A 44 96.104 6.405 3.090 1.00 0.00 C ATOM 638 C CYS A 44 95.423 5.884 1.824 1.00 0.00 C ATOM 639 O CYS A 44 95.840 4.907 1.236 1.00 0.00 O ATOM 640 CB CYS A 44 95.292 6.035 4.329 1.00 0.00 C ATOM 641 SG CYS A 44 96.120 6.678 5.804 1.00 0.00 S ATOM 0 H CYS A 44 95.650 8.334 3.859 1.00 0.00 H new ATOM 0 HA CYS A 44 97.103 5.971 3.115 1.00 0.00 H new ATOM 0 HB2 CYS A 44 94.286 6.447 4.254 1.00 0.00 H new ATOM 0 HB3 CYS A 44 95.188 4.952 4.399 1.00 0.00 H new ATOM 646 N CYS A 45 94.376 6.536 1.401 1.00 0.00 N ATOM 647 CA CYS A 45 93.664 6.085 0.172 1.00 0.00 C ATOM 648 C CYS A 45 94.565 6.268 -1.049 1.00 0.00 C ATOM 649 O CYS A 45 94.735 5.369 -1.848 1.00 0.00 O ATOM 650 CB CYS A 45 92.435 6.985 0.072 1.00 0.00 C ATOM 651 SG CYS A 45 91.249 6.520 1.357 1.00 0.00 S ATOM 0 H CYS A 45 93.982 7.361 1.853 1.00 0.00 H new ATOM 0 HA CYS A 45 93.391 5.031 0.213 1.00 0.00 H new ATOM 0 HB2 CYS A 45 92.724 8.029 0.188 1.00 0.00 H new ATOM 0 HB3 CYS A 45 91.978 6.889 -0.913 1.00 0.00 H new ATOM 656 N GLN A 46 95.153 7.423 -1.193 1.00 0.00 N ATOM 657 CA GLN A 46 96.053 7.657 -2.356 1.00 0.00 C ATOM 658 C GLN A 46 97.060 6.513 -2.454 1.00 0.00 C ATOM 659 O GLN A 46 97.420 6.072 -3.528 1.00 0.00 O ATOM 660 CB GLN A 46 96.763 8.975 -2.046 1.00 0.00 C ATOM 661 CG GLN A 46 97.586 9.407 -3.260 1.00 0.00 C ATOM 662 CD GLN A 46 98.002 10.864 -3.105 1.00 0.00 C ATOM 663 OE1 GLN A 46 97.742 11.482 -2.092 1.00 0.00 O ATOM 664 NE2 GLN A 46 98.644 11.445 -4.078 1.00 0.00 N ATOM 0 H GLN A 46 95.049 8.213 -0.557 1.00 0.00 H new ATOM 0 HA GLN A 46 95.517 7.702 -3.304 1.00 0.00 H new ATOM 0 HB2 GLN A 46 96.032 9.744 -1.796 1.00 0.00 H new ATOM 0 HB3 GLN A 46 97.411 8.856 -1.177 1.00 0.00 H new ATOM 0 HG2 GLN A 46 98.469 8.775 -3.357 1.00 0.00 H new ATOM 0 HG3 GLN A 46 97.002 9.280 -4.171 1.00 0.00 H new ATOM 0 HE21 GLN A 46 98.862 10.925 -4.928 1.00 0.00 H new ATOM 0 HE22 GLN A 46 98.929 12.420 -3.990 1.00 0.00 H new ATOM 673 N THR A 47 97.512 6.029 -1.331 1.00 0.00 N ATOM 674 CA THR A 47 98.492 4.912 -1.334 1.00 0.00 C ATOM 675 C THR A 47 97.825 3.624 -1.821 1.00 0.00 C ATOM 676 O THR A 47 98.448 2.787 -2.442 1.00 0.00 O ATOM 677 CB THR A 47 98.934 4.766 0.121 1.00 0.00 C ATOM 678 OG1 THR A 47 99.644 5.930 0.520 1.00 0.00 O ATOM 679 CG2 THR A 47 99.840 3.541 0.258 1.00 0.00 C ATOM 0 H THR A 47 97.242 6.363 -0.406 1.00 0.00 H new ATOM 0 HA THR A 47 99.334 5.106 -1.998 1.00 0.00 H new ATOM 0 HB THR A 47 98.057 4.641 0.757 1.00 0.00 H new ATOM 0 HG1 THR A 47 99.008 6.629 0.779 1.00 0.00 H new ATOM 0 HG21 THR A 47 100.156 3.436 1.296 1.00 0.00 H new ATOM 0 HG22 THR A 47 99.294 2.648 -0.047 1.00 0.00 H new ATOM 0 HG23 THR A 47 100.717 3.664 -0.377 1.00 0.00 H new ATOM 687 N HIS A 48 96.558 3.464 -1.548 1.00 0.00 N ATOM 688 CA HIS A 48 95.846 2.235 -2.000 1.00 0.00 C ATOM 689 C HIS A 48 95.920 2.145 -3.519 1.00 0.00 C ATOM 690 O HIS A 48 96.281 1.130 -4.080 1.00 0.00 O ATOM 691 CB HIS A 48 94.399 2.430 -1.548 1.00 0.00 C ATOM 692 CG HIS A 48 93.586 1.217 -1.906 1.00 0.00 C ATOM 693 ND1 HIS A 48 92.531 1.275 -2.804 1.00 0.00 N ATOM 694 CD2 HIS A 48 93.653 -0.091 -1.493 1.00 0.00 C ATOM 695 CE1 HIS A 48 92.011 0.038 -2.902 1.00 0.00 C ATOM 696 NE2 HIS A 48 92.659 -0.834 -2.124 1.00 0.00 N ATOM 0 H HIS A 48 95.986 4.132 -1.031 1.00 0.00 H new ATOM 0 HA HIS A 48 96.277 1.320 -1.592 1.00 0.00 H new ATOM 0 HB2 HIS A 48 94.364 2.598 -0.472 1.00 0.00 H new ATOM 0 HB3 HIS A 48 93.976 3.316 -2.023 1.00 0.00 H new ATOM 0 HD1 HIS A 48 92.208 2.105 -3.300 1.00 0.00 H new ATOM 0 HD2 HIS A 48 94.368 -0.484 -0.786 1.00 0.00 H new ATOM 0 HE1 HIS A 48 91.172 -0.219 -3.532 1.00 0.00 H new ATOM 704 N ASP A 49 95.592 3.213 -4.183 1.00 0.00 N ATOM 705 CA ASP A 49 95.650 3.217 -5.664 1.00 0.00 C ATOM 706 C ASP A 49 97.084 2.942 -6.113 1.00 0.00 C ATOM 707 O ASP A 49 97.335 2.116 -6.969 1.00 0.00 O ATOM 708 CB ASP A 49 95.216 4.626 -6.071 1.00 0.00 C ATOM 709 CG ASP A 49 93.691 4.679 -6.181 1.00 0.00 C ATOM 710 OD1 ASP A 49 93.115 3.703 -6.633 1.00 0.00 O ATOM 711 OD2 ASP A 49 93.125 5.695 -5.811 1.00 0.00 O ATOM 0 H ASP A 49 95.284 4.088 -3.760 1.00 0.00 H new ATOM 0 HA ASP A 49 95.015 2.456 -6.117 1.00 0.00 H new ATOM 0 HB2 ASP A 49 95.564 5.352 -5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 49 95.670 4.896 -7.025 1.00 0.00 H new ATOM 716 N ASN A 50 98.027 3.626 -5.527 1.00 0.00 N ATOM 717 CA ASN A 50 99.451 3.414 -5.896 1.00 0.00 C ATOM 718 C ASN A 50 99.819 1.938 -5.718 1.00 0.00 C ATOM 719 O ASN A 50 100.643 1.401 -6.430 1.00 0.00 O ATOM 720 CB ASN A 50 100.241 4.293 -4.926 1.00 0.00 C ATOM 721 CG ASN A 50 100.382 5.698 -5.513 1.00 0.00 C ATOM 722 OD1 ASN A 50 100.891 5.864 -6.604 1.00 0.00 O ATOM 723 ND2 ASN A 50 99.947 6.723 -4.833 1.00 0.00 N ATOM 0 H ASN A 50 97.869 4.327 -4.803 1.00 0.00 H new ATOM 0 HA ASN A 50 99.660 3.670 -6.935 1.00 0.00 H new ATOM 0 HB2 ASN A 50 99.733 4.339 -3.963 1.00 0.00 H new ATOM 0 HB3 ASN A 50 101.226 3.861 -4.746 1.00 0.00 H new ATOM 0 HD21 ASN A 50 100.034 7.664 -5.217 1.00 0.00 H new ATOM 0 HD22 ASN A 50 99.520 6.583 -3.917 1.00 0.00 H new ATOM 730 N CYS A 51 99.205 1.283 -4.771 1.00 0.00 N ATOM 731 CA CYS A 51 99.504 -0.159 -4.541 1.00 0.00 C ATOM 732 C CYS A 51 98.900 -1.005 -5.664 1.00 0.00 C ATOM 733 O CYS A 51 99.514 -1.929 -6.158 1.00 0.00 O ATOM 734 CB CYS A 51 98.838 -0.488 -3.206 1.00 0.00 C ATOM 735 SG CYS A 51 99.580 -1.983 -2.508 1.00 0.00 S ATOM 0 H CYS A 51 98.507 1.685 -4.145 1.00 0.00 H new ATOM 0 HA CYS A 51 100.574 -0.366 -4.526 1.00 0.00 H new ATOM 0 HB2 CYS A 51 98.956 0.346 -2.514 1.00 0.00 H new ATOM 0 HB3 CYS A 51 97.767 -0.634 -3.349 1.00 0.00 H new ATOM 740 N TYR A 52 97.701 -0.693 -6.072 1.00 0.00 N ATOM 741 CA TYR A 52 97.056 -1.475 -7.164 1.00 0.00 C ATOM 742 C TYR A 52 97.855 -1.318 -8.461 1.00 0.00 C ATOM 743 O TYR A 52 97.872 -2.193 -9.304 1.00 0.00 O ATOM 744 CB TYR A 52 95.660 -0.868 -7.310 1.00 0.00 C ATOM 745 CG TYR A 52 94.739 -1.463 -6.270 1.00 0.00 C ATOM 746 CD1 TYR A 52 95.149 -1.542 -4.932 1.00 0.00 C ATOM 747 CD2 TYR A 52 93.475 -1.935 -6.643 1.00 0.00 C ATOM 748 CE1 TYR A 52 94.295 -2.092 -3.969 1.00 0.00 C ATOM 749 CE2 TYR A 52 92.620 -2.485 -5.678 1.00 0.00 C ATOM 750 CZ TYR A 52 93.030 -2.563 -4.341 1.00 0.00 C ATOM 751 OH TYR A 52 92.188 -3.104 -3.392 1.00 0.00 O ATOM 0 H TYR A 52 97.139 0.071 -5.696 1.00 0.00 H new ATOM 0 HA TYR A 52 97.012 -2.542 -6.946 1.00 0.00 H new ATOM 0 HB2 TYR A 52 95.709 0.214 -7.191 1.00 0.00 H new ATOM 0 HB3 TYR A 52 95.270 -1.062 -8.309 1.00 0.00 H new ATOM 0 HD1 TYR A 52 96.124 -1.178 -4.644 1.00 0.00 H new ATOM 0 HD2 TYR A 52 93.159 -1.875 -7.674 1.00 0.00 H new ATOM 0 HE1 TYR A 52 94.612 -2.153 -2.938 1.00 0.00 H new ATOM 0 HE2 TYR A 52 91.645 -2.849 -5.966 1.00 0.00 H new ATOM 0 HH TYR A 52 92.177 -2.529 -2.599 1.00 0.00 H new ATOM 761 N LYS A 53 98.532 -0.213 -8.617 1.00 0.00 N ATOM 762 CA LYS A 53 99.344 -0.006 -9.851 1.00 0.00 C ATOM 763 C LYS A 53 100.595 -0.860 -9.741 1.00 0.00 C ATOM 764 O LYS A 53 100.913 -1.656 -10.603 1.00 0.00 O ATOM 765 CB LYS A 53 99.733 1.481 -9.874 1.00 0.00 C ATOM 766 CG LYS A 53 98.599 2.348 -9.324 1.00 0.00 C ATOM 767 CD LYS A 53 98.080 3.273 -10.427 1.00 0.00 C ATOM 768 CE LYS A 53 96.718 2.772 -10.914 1.00 0.00 C ATOM 769 NZ LYS A 53 96.425 3.578 -12.132 1.00 0.00 N ATOM 0 H LYS A 53 98.558 0.554 -7.945 1.00 0.00 H new ATOM 0 HA LYS A 53 98.800 -0.278 -10.755 1.00 0.00 H new ATOM 0 HB2 LYS A 53 100.635 1.635 -9.281 1.00 0.00 H new ATOM 0 HB3 LYS A 53 99.967 1.785 -10.894 1.00 0.00 H new ATOM 0 HG2 LYS A 53 97.791 1.717 -8.955 1.00 0.00 H new ATOM 0 HG3 LYS A 53 98.955 2.937 -8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 53 97.991 4.292 -10.050 1.00 0.00 H new ATOM 0 HD3 LYS A 53 98.787 3.300 -11.256 1.00 0.00 H new ATOM 0 HE2 LYS A 53 96.748 1.707 -11.143 1.00 0.00 H new ATOM 0 HE3 LYS A 53 95.950 2.913 -10.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 95.505 3.292 -12.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 96.396 4.587 -11.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 97.169 3.418 -12.841 1.00 0.00 H new ATOM 783 N GLN A 54 101.299 -0.695 -8.662 1.00 0.00 N ATOM 784 CA GLN A 54 102.536 -1.489 -8.441 1.00 0.00 C ATOM 785 C GLN A 54 102.217 -2.980 -8.540 1.00 0.00 C ATOM 786 O GLN A 54 103.029 -3.777 -8.968 1.00 0.00 O ATOM 787 CB GLN A 54 102.985 -1.136 -7.024 1.00 0.00 C ATOM 788 CG GLN A 54 103.595 0.266 -7.010 1.00 0.00 C ATOM 789 CD GLN A 54 105.104 0.163 -6.777 1.00 0.00 C ATOM 790 OE1 GLN A 54 105.591 -0.852 -6.319 1.00 0.00 O ATOM 791 NE2 GLN A 54 105.868 1.176 -7.076 1.00 0.00 N ATOM 0 H GLN A 54 101.070 -0.038 -7.916 1.00 0.00 H new ATOM 0 HA GLN A 54 103.308 -1.271 -9.179 1.00 0.00 H new ATOM 0 HB2 GLN A 54 102.136 -1.180 -6.342 1.00 0.00 H new ATOM 0 HB3 GLN A 54 103.715 -1.864 -6.672 1.00 0.00 H new ATOM 0 HG2 GLN A 54 103.396 0.770 -7.955 1.00 0.00 H new ATOM 0 HG3 GLN A 54 103.135 0.867 -6.225 1.00 0.00 H new ATOM 0 HE21 GLN A 54 105.459 2.028 -7.460 1.00 0.00 H new ATOM 0 HE22 GLN A 54 106.875 1.117 -6.926 1.00 0.00 H new ATOM 800 N ALA A 55 101.034 -3.360 -8.142 1.00 0.00 N ATOM 801 CA ALA A 55 100.648 -4.798 -8.208 1.00 0.00 C ATOM 802 C ALA A 55 100.652 -5.274 -9.659 1.00 0.00 C ATOM 803 O ALA A 55 101.149 -6.335 -9.973 1.00 0.00 O ATOM 804 CB ALA A 55 99.236 -4.858 -7.625 1.00 0.00 C ATOM 0 H ALA A 55 100.317 -2.736 -7.773 1.00 0.00 H new ATOM 0 HA ALA A 55 101.339 -5.439 -7.660 1.00 0.00 H new ATOM 0 HB1 ALA A 55 98.880 -5.888 -7.639 1.00 0.00 H new ATOM 0 HB2 ALA A 55 99.251 -4.493 -6.598 1.00 0.00 H new ATOM 0 HB3 ALA A 55 98.569 -4.236 -8.222 1.00 0.00 H new ATOM 810 N LYS A 56 100.104 -4.494 -10.549 1.00 0.00 N ATOM 811 CA LYS A 56 100.087 -4.906 -11.980 1.00 0.00 C ATOM 812 C LYS A 56 101.515 -4.910 -12.530 1.00 0.00 C ATOM 813 O LYS A 56 101.872 -5.726 -13.355 1.00 0.00 O ATOM 814 CB LYS A 56 99.235 -3.853 -12.690 1.00 0.00 C ATOM 815 CG LYS A 56 97.763 -4.267 -12.634 1.00 0.00 C ATOM 816 CD LYS A 56 96.877 -3.022 -12.713 1.00 0.00 C ATOM 817 CE LYS A 56 96.729 -2.591 -14.174 1.00 0.00 C ATOM 818 NZ LYS A 56 97.750 -1.523 -14.365 1.00 0.00 N ATOM 0 H LYS A 56 99.669 -3.593 -10.349 1.00 0.00 H new ATOM 0 HA LYS A 56 99.683 -5.908 -12.123 1.00 0.00 H new ATOM 0 HB2 LYS A 56 99.369 -2.881 -12.216 1.00 0.00 H new ATOM 0 HB3 LYS A 56 99.556 -3.749 -13.727 1.00 0.00 H new ATOM 0 HG2 LYS A 56 97.533 -4.942 -13.458 1.00 0.00 H new ATOM 0 HG3 LYS A 56 97.562 -4.811 -11.711 1.00 0.00 H new ATOM 0 HD2 LYS A 56 95.897 -3.232 -12.284 1.00 0.00 H new ATOM 0 HD3 LYS A 56 97.315 -2.214 -12.127 1.00 0.00 H new ATOM 0 HE2 LYS A 56 96.901 -3.427 -14.852 1.00 0.00 H new ATOM 0 HE3 LYS A 56 95.725 -2.218 -14.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 97.274 -0.613 -14.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 98.344 -1.454 -13.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 98.346 -1.755 -15.185 1.00 0.00 H new ATOM 832 N LYS A 57 102.334 -4.002 -12.073 1.00 0.00 N ATOM 833 CA LYS A 57 103.736 -3.945 -12.557 1.00 0.00 C ATOM 834 C LYS A 57 104.462 -5.254 -12.232 1.00 0.00 C ATOM 835 O LYS A 57 105.296 -5.716 -12.984 1.00 0.00 O ATOM 836 CB LYS A 57 104.366 -2.776 -11.800 1.00 0.00 C ATOM 837 CG LYS A 57 104.025 -1.465 -12.511 1.00 0.00 C ATOM 838 CD LYS A 57 105.273 -0.927 -13.214 1.00 0.00 C ATOM 839 CE LYS A 57 104.922 -0.535 -14.651 1.00 0.00 C ATOM 840 NZ LYS A 57 104.954 0.955 -14.661 1.00 0.00 N ATOM 0 H LYS A 57 102.087 -3.294 -11.381 1.00 0.00 H new ATOM 0 HA LYS A 57 103.797 -3.811 -13.637 1.00 0.00 H new ATOM 0 HB2 LYS A 57 103.998 -2.752 -10.774 1.00 0.00 H new ATOM 0 HB3 LYS A 57 105.447 -2.903 -11.748 1.00 0.00 H new ATOM 0 HG2 LYS A 57 103.228 -1.629 -13.236 1.00 0.00 H new ATOM 0 HG3 LYS A 57 103.656 -0.734 -11.792 1.00 0.00 H new ATOM 0 HD2 LYS A 57 105.663 -0.063 -12.675 1.00 0.00 H new ATOM 0 HD3 LYS A 57 106.058 -1.683 -13.214 1.00 0.00 H new ATOM 0 HE2 LYS A 57 105.638 -0.950 -15.360 1.00 0.00 H new ATOM 0 HE3 LYS A 57 103.939 -0.911 -14.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 104.723 1.301 -15.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 104.257 1.322 -13.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 105.904 1.284 -14.394 1.00 0.00 H new ATOM 854 N LEU A 58 104.151 -5.853 -11.113 1.00 0.00 N ATOM 855 CA LEU A 58 104.824 -7.128 -10.739 1.00 0.00 C ATOM 856 C LEU A 58 104.931 -8.051 -11.957 1.00 0.00 C ATOM 857 O LEU A 58 103.983 -8.233 -12.695 1.00 0.00 O ATOM 858 CB LEU A 58 103.923 -7.755 -9.675 1.00 0.00 C ATOM 859 CG LEU A 58 104.667 -7.811 -8.340 1.00 0.00 C ATOM 860 CD1 LEU A 58 104.591 -6.446 -7.652 1.00 0.00 C ATOM 861 CD2 LEU A 58 104.016 -8.867 -7.444 1.00 0.00 C ATOM 0 H LEU A 58 103.460 -5.514 -10.443 1.00 0.00 H new ATOM 0 HA LEU A 58 105.838 -6.965 -10.374 1.00 0.00 H new ATOM 0 HB2 LEU A 58 103.008 -7.172 -9.569 1.00 0.00 H new ATOM 0 HB3 LEU A 58 103.627 -8.759 -9.980 1.00 0.00 H new ATOM 0 HG LEU A 58 105.711 -8.070 -8.516 1.00 0.00 H new ATOM 0 HD11 LEU A 58 105.122 -6.488 -6.701 1.00 0.00 H new ATOM 0 HD12 LEU A 58 105.049 -5.691 -8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 58 103.548 -6.186 -7.474 1.00 0.00 H new ATOM 0 HD21 LEU A 58 104.543 -8.911 -6.491 1.00 0.00 H new ATOM 0 HD22 LEU A 58 102.973 -8.603 -7.270 1.00 0.00 H new ATOM 0 HD23 LEU A 58 104.068 -9.840 -7.932 1.00 0.00 H new ATOM 873 N ASP A 59 106.076 -8.639 -12.170 1.00 0.00 N ATOM 874 CA ASP A 59 106.238 -9.552 -13.338 1.00 0.00 C ATOM 875 C ASP A 59 105.137 -10.618 -13.328 1.00 0.00 C ATOM 876 O ASP A 59 104.326 -10.694 -14.229 1.00 0.00 O ATOM 877 CB ASP A 59 107.612 -10.196 -13.148 1.00 0.00 C ATOM 878 CG ASP A 59 108.154 -10.657 -14.503 1.00 0.00 C ATOM 879 OD1 ASP A 59 108.615 -9.812 -15.253 1.00 0.00 O ATOM 880 OD2 ASP A 59 108.102 -11.846 -14.766 1.00 0.00 O ATOM 0 H ASP A 59 106.906 -8.527 -11.587 1.00 0.00 H new ATOM 0 HA ASP A 59 106.164 -9.026 -14.290 1.00 0.00 H new ATOM 0 HB2 ASP A 59 108.300 -9.483 -12.693 1.00 0.00 H new ATOM 0 HB3 ASP A 59 107.536 -11.044 -12.467 1.00 0.00 H new ATOM 885 N SER A 60 105.104 -11.441 -12.316 1.00 0.00 N ATOM 886 CA SER A 60 104.059 -12.501 -12.246 1.00 0.00 C ATOM 887 C SER A 60 102.699 -11.943 -12.677 1.00 0.00 C ATOM 888 O SER A 60 102.004 -12.532 -13.480 1.00 0.00 O ATOM 889 CB SER A 60 104.022 -12.922 -10.779 1.00 0.00 C ATOM 890 OG SER A 60 105.294 -12.687 -10.190 1.00 0.00 O ATOM 0 H SER A 60 105.757 -11.425 -11.533 1.00 0.00 H new ATOM 0 HA SER A 60 104.280 -13.338 -12.908 1.00 0.00 H new ATOM 0 HB2 SER A 60 103.253 -12.361 -10.247 1.00 0.00 H new ATOM 0 HB3 SER A 60 103.760 -13.977 -10.698 1.00 0.00 H new ATOM 0 HG SER A 60 105.273 -12.955 -9.248 1.00 0.00 H new ATOM 896 N CYS A 61 102.313 -10.814 -12.148 1.00 0.00 N ATOM 897 CA CYS A 61 100.997 -10.225 -12.529 1.00 0.00 C ATOM 898 C CYS A 61 101.053 -9.699 -13.967 1.00 0.00 C ATOM 899 O CYS A 61 100.211 -10.013 -14.785 1.00 0.00 O ATOM 900 CB CYS A 61 100.772 -9.080 -11.542 1.00 0.00 C ATOM 901 SG CYS A 61 100.813 -9.726 -9.852 1.00 0.00 S ATOM 0 H CYS A 61 102.851 -10.275 -11.470 1.00 0.00 H new ATOM 0 HA CYS A 61 100.189 -10.955 -12.490 1.00 0.00 H new ATOM 0 HB2 CYS A 61 101.541 -8.318 -11.671 1.00 0.00 H new ATOM 0 HB3 CYS A 61 99.813 -8.601 -11.737 1.00 0.00 H new ATOM 906 N LYS A 62 102.039 -8.905 -14.281 1.00 0.00 N ATOM 907 CA LYS A 62 102.146 -8.366 -15.669 1.00 0.00 C ATOM 908 C LYS A 62 101.983 -9.500 -16.684 1.00 0.00 C ATOM 909 O LYS A 62 101.580 -9.285 -17.810 1.00 0.00 O ATOM 910 CB LYS A 62 103.551 -7.766 -15.756 1.00 0.00 C ATOM 911 CG LYS A 62 103.825 -7.313 -17.191 1.00 0.00 C ATOM 912 CD LYS A 62 104.860 -6.187 -17.183 1.00 0.00 C ATOM 913 CE LYS A 62 105.484 -6.055 -18.575 1.00 0.00 C ATOM 914 NZ LYS A 62 106.917 -5.735 -18.327 1.00 0.00 N ATOM 0 H LYS A 62 102.774 -8.606 -13.640 1.00 0.00 H new ATOM 0 HA LYS A 62 101.375 -7.627 -15.887 1.00 0.00 H new ATOM 0 HB2 LYS A 62 103.640 -6.921 -15.073 1.00 0.00 H new ATOM 0 HB3 LYS A 62 104.292 -8.503 -15.448 1.00 0.00 H new ATOM 0 HG2 LYS A 62 104.189 -8.151 -17.785 1.00 0.00 H new ATOM 0 HG3 LYS A 62 102.902 -6.969 -17.657 1.00 0.00 H new ATOM 0 HD2 LYS A 62 104.389 -5.248 -16.894 1.00 0.00 H new ATOM 0 HD3 LYS A 62 105.634 -6.396 -16.444 1.00 0.00 H new ATOM 0 HE2 LYS A 62 105.379 -6.979 -19.144 1.00 0.00 H new ATOM 0 HE3 LYS A 62 104.998 -5.268 -19.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 107.411 -5.629 -19.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 106.987 -4.847 -17.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 107.355 -6.505 -17.782 1.00 0.00 H new ATOM 928 N VAL A 63 102.291 -10.706 -16.291 1.00 0.00 N ATOM 929 CA VAL A 63 102.152 -11.856 -17.230 1.00 0.00 C ATOM 930 C VAL A 63 100.783 -12.518 -17.049 1.00 0.00 C ATOM 931 O VAL A 63 100.213 -13.050 -17.980 1.00 0.00 O ATOM 932 CB VAL A 63 103.272 -12.820 -16.839 1.00 0.00 C ATOM 933 CG1 VAL A 63 103.162 -14.101 -17.668 1.00 0.00 C ATOM 934 CG2 VAL A 63 104.626 -12.158 -17.104 1.00 0.00 C ATOM 0 H VAL A 63 102.633 -10.945 -15.360 1.00 0.00 H new ATOM 0 HA VAL A 63 102.223 -11.552 -18.274 1.00 0.00 H new ATOM 0 HB VAL A 63 103.185 -13.066 -15.781 1.00 0.00 H new ATOM 0 HG11 VAL A 63 103.962 -14.786 -17.387 1.00 0.00 H new ATOM 0 HG12 VAL A 63 102.197 -14.573 -17.482 1.00 0.00 H new ATOM 0 HG13 VAL A 63 103.248 -13.858 -18.727 1.00 0.00 H new ATOM 0 HG21 VAL A 63 105.427 -12.843 -16.826 1.00 0.00 H new ATOM 0 HG22 VAL A 63 104.710 -11.912 -18.163 1.00 0.00 H new ATOM 0 HG23 VAL A 63 104.707 -11.246 -16.512 1.00 0.00 H new ATOM 1019 N TYR A 69 90.400 -5.811 -10.017 1.00 0.00 N ATOM 1020 CA TYR A 69 89.036 -5.636 -9.438 1.00 0.00 C ATOM 1021 C TYR A 69 88.354 -6.996 -9.266 1.00 0.00 C ATOM 1022 O TYR A 69 88.034 -7.403 -8.167 1.00 0.00 O ATOM 1023 CB TYR A 69 88.280 -4.774 -10.448 1.00 0.00 C ATOM 1024 CG TYR A 69 88.258 -3.331 -9.958 1.00 0.00 C ATOM 1025 CD1 TYR A 69 89.436 -2.573 -9.962 1.00 0.00 C ATOM 1026 CD2 TYR A 69 87.062 -2.764 -9.500 1.00 0.00 C ATOM 1027 CE1 TYR A 69 89.418 -1.250 -9.508 1.00 0.00 C ATOM 1028 CE2 TYR A 69 87.045 -1.440 -9.045 1.00 0.00 C ATOM 1029 CZ TYR A 69 88.223 -0.682 -9.050 1.00 0.00 C ATOM 1030 OH TYR A 69 88.206 0.622 -8.601 1.00 0.00 O ATOM 0 HA TYR A 69 89.063 -5.172 -8.452 1.00 0.00 H new ATOM 0 HB2 TYR A 69 88.760 -4.832 -11.425 1.00 0.00 H new ATOM 0 HB3 TYR A 69 87.262 -5.145 -10.571 1.00 0.00 H new ATOM 0 HD1 TYR A 69 90.358 -3.010 -10.316 1.00 0.00 H new ATOM 0 HD2 TYR A 69 86.153 -3.348 -9.498 1.00 0.00 H new ATOM 0 HE1 TYR A 69 90.327 -0.666 -9.511 1.00 0.00 H new ATOM 0 HE2 TYR A 69 86.123 -1.003 -8.690 1.00 0.00 H new ATOM 0 HH TYR A 69 87.298 0.860 -8.320 1.00 0.00 H new ATOM 1040 N THR A 70 88.131 -7.703 -10.339 1.00 0.00 N ATOM 1041 CA THR A 70 87.473 -9.030 -10.227 1.00 0.00 C ATOM 1042 C THR A 70 88.257 -9.923 -9.261 1.00 0.00 C ATOM 1043 O THR A 70 87.758 -10.918 -8.775 1.00 0.00 O ATOM 1044 CB THR A 70 87.499 -9.609 -11.643 1.00 0.00 C ATOM 1045 OG1 THR A 70 88.614 -9.084 -12.348 1.00 0.00 O ATOM 1046 CG2 THR A 70 86.207 -9.233 -12.372 1.00 0.00 C ATOM 0 H THR A 70 88.377 -7.418 -11.287 1.00 0.00 H new ATOM 0 HA THR A 70 86.457 -8.959 -9.840 1.00 0.00 H new ATOM 0 HB THR A 70 87.582 -10.695 -11.591 1.00 0.00 H new ATOM 0 HG1 THR A 70 88.632 -9.456 -13.255 1.00 0.00 H new ATOM 0 HG21 THR A 70 86.225 -9.645 -13.381 1.00 0.00 H new ATOM 0 HG22 THR A 70 85.352 -9.638 -11.830 1.00 0.00 H new ATOM 0 HG23 THR A 70 86.122 -8.148 -12.425 1.00 0.00 H new ATOM 1054 N ASN A 71 89.482 -9.571 -8.980 1.00 0.00 N ATOM 1055 CA ASN A 71 90.301 -10.394 -8.044 1.00 0.00 C ATOM 1056 C ASN A 71 89.548 -10.600 -6.726 1.00 0.00 C ATOM 1057 O ASN A 71 89.559 -9.752 -5.855 1.00 0.00 O ATOM 1058 CB ASN A 71 91.574 -9.579 -7.810 1.00 0.00 C ATOM 1059 CG ASN A 71 92.683 -10.501 -7.298 1.00 0.00 C ATOM 1060 OD1 ASN A 71 92.494 -11.180 -6.199 1.00 0.00 O flip ATOM 1061 ND2 ASN A 71 93.731 -10.604 -7.902 1.00 0.00 N flip ATOM 0 H ASN A 71 89.952 -8.748 -9.358 1.00 0.00 H new ATOM 0 HA ASN A 71 90.518 -11.384 -8.446 1.00 0.00 H new ATOM 0 HB2 ASN A 71 91.886 -9.097 -8.737 1.00 0.00 H new ATOM 0 HB3 ASN A 71 91.383 -8.786 -7.087 1.00 0.00 H new ATOM 0 HD21 ASN A 71 93.879 -10.074 -8.761 1.00 0.00 H new ATOM 0 HD22 ASN A 71 94.464 -11.221 -7.551 1.00 0.00 H new ATOM 1068 N ASN A 72 88.891 -11.717 -6.574 1.00 0.00 N ATOM 1069 CA ASN A 72 88.136 -11.971 -5.314 1.00 0.00 C ATOM 1070 C ASN A 72 88.987 -12.790 -4.339 1.00 0.00 C ATOM 1071 O ASN A 72 88.602 -13.861 -3.914 1.00 0.00 O ATOM 1072 CB ASN A 72 86.903 -12.766 -5.745 1.00 0.00 C ATOM 1073 CG ASN A 72 85.697 -12.327 -4.912 1.00 0.00 C ATOM 1074 OD1 ASN A 72 85.386 -12.933 -3.906 1.00 0.00 O ATOM 1075 ND2 ASN A 72 85.000 -11.292 -5.292 1.00 0.00 N ATOM 0 H ASN A 72 88.844 -12.464 -7.267 1.00 0.00 H new ATOM 0 HA ASN A 72 87.869 -11.047 -4.801 1.00 0.00 H new ATOM 0 HB2 ASN A 72 86.705 -12.604 -6.805 1.00 0.00 H new ATOM 0 HB3 ASN A 72 87.081 -13.833 -5.613 1.00 0.00 H new ATOM 0 HD21 ASN A 72 84.194 -10.991 -4.744 1.00 0.00 H new ATOM 0 HD22 ASN A 72 85.261 -10.783 -6.137 1.00 0.00 H new ATOM 1082 N TYR A 73 90.139 -12.293 -3.978 1.00 0.00 N ATOM 1083 CA TYR A 73 91.007 -13.045 -3.027 1.00 0.00 C ATOM 1084 C TYR A 73 90.239 -13.332 -1.733 1.00 0.00 C ATOM 1085 O TYR A 73 89.110 -12.916 -1.566 1.00 0.00 O ATOM 1086 CB TYR A 73 92.196 -12.121 -2.759 1.00 0.00 C ATOM 1087 CG TYR A 73 91.730 -10.902 -1.997 1.00 0.00 C ATOM 1088 CD1 TYR A 73 91.505 -10.984 -0.618 1.00 0.00 C ATOM 1089 CD2 TYR A 73 91.524 -9.691 -2.669 1.00 0.00 C ATOM 1090 CE1 TYR A 73 91.076 -9.855 0.090 1.00 0.00 C ATOM 1091 CE2 TYR A 73 91.094 -8.563 -1.961 1.00 0.00 C ATOM 1092 CZ TYR A 73 90.870 -8.645 -0.582 1.00 0.00 C ATOM 1093 OH TYR A 73 90.446 -7.531 0.116 1.00 0.00 O ATOM 0 H TYR A 73 90.516 -11.401 -4.299 1.00 0.00 H new ATOM 0 HA TYR A 73 91.327 -14.007 -3.426 1.00 0.00 H new ATOM 0 HB2 TYR A 73 92.959 -12.650 -2.187 1.00 0.00 H new ATOM 0 HB3 TYR A 73 92.655 -11.820 -3.701 1.00 0.00 H new ATOM 0 HD1 TYR A 73 91.662 -11.918 -0.100 1.00 0.00 H new ATOM 0 HD2 TYR A 73 91.697 -9.627 -3.733 1.00 0.00 H new ATOM 0 HE1 TYR A 73 90.904 -9.918 1.154 1.00 0.00 H new ATOM 0 HE2 TYR A 73 90.935 -7.629 -2.479 1.00 0.00 H new ATOM 0 HH TYR A 73 90.696 -6.722 -0.377 1.00 0.00 H new ATOM 1103 N SER A 74 90.839 -14.042 -0.817 1.00 0.00 N ATOM 1104 CA SER A 74 90.135 -14.354 0.461 1.00 0.00 C ATOM 1105 C SER A 74 90.932 -13.813 1.652 1.00 0.00 C ATOM 1106 O SER A 74 92.112 -13.542 1.550 1.00 0.00 O ATOM 1107 CB SER A 74 90.065 -15.880 0.510 1.00 0.00 C ATOM 1108 OG SER A 74 88.941 -16.321 -0.241 1.00 0.00 O ATOM 0 H SER A 74 91.783 -14.419 -0.897 1.00 0.00 H new ATOM 0 HA SER A 74 89.146 -13.898 0.510 1.00 0.00 H new ATOM 0 HB2 SER A 74 90.980 -16.311 0.104 1.00 0.00 H new ATOM 0 HB3 SER A 74 89.983 -16.219 1.543 1.00 0.00 H new ATOM 0 HG SER A 74 88.893 -17.299 -0.214 1.00 0.00 H new ATOM 1114 N TYR A 75 90.297 -13.654 2.781 1.00 0.00 N ATOM 1115 CA TYR A 75 91.023 -13.130 3.975 1.00 0.00 C ATOM 1116 C TYR A 75 90.223 -13.411 5.252 1.00 0.00 C ATOM 1117 O TYR A 75 89.128 -13.936 5.208 1.00 0.00 O ATOM 1118 CB TYR A 75 91.145 -11.624 3.732 1.00 0.00 C ATOM 1119 CG TYR A 75 89.799 -10.955 3.974 1.00 0.00 C ATOM 1120 CD1 TYR A 75 88.844 -10.914 2.950 1.00 0.00 C ATOM 1121 CD2 TYR A 75 89.513 -10.384 5.220 1.00 0.00 C ATOM 1122 CE1 TYR A 75 87.606 -10.301 3.172 1.00 0.00 C ATOM 1123 CE2 TYR A 75 88.275 -9.771 5.442 1.00 0.00 C ATOM 1124 CZ TYR A 75 87.321 -9.730 4.418 1.00 0.00 C ATOM 1125 OH TYR A 75 86.101 -9.127 4.639 1.00 0.00 O ATOM 0 H TYR A 75 89.310 -13.863 2.929 1.00 0.00 H new ATOM 0 HA TYR A 75 91.997 -13.602 4.107 1.00 0.00 H new ATOM 0 HB2 TYR A 75 91.898 -11.199 4.395 1.00 0.00 H new ATOM 0 HB3 TYR A 75 91.477 -11.436 2.711 1.00 0.00 H new ATOM 0 HD1 TYR A 75 89.063 -11.356 1.989 1.00 0.00 H new ATOM 0 HD2 TYR A 75 90.248 -10.417 6.010 1.00 0.00 H new ATOM 0 HE1 TYR A 75 86.870 -10.268 2.382 1.00 0.00 H new ATOM 0 HE2 TYR A 75 88.055 -9.330 6.403 1.00 0.00 H new ATOM 0 HH TYR A 75 85.711 -9.472 5.469 1.00 0.00 H new ATOM 1135 N SER A 76 90.765 -13.065 6.388 1.00 0.00 N ATOM 1136 CA SER A 76 90.041 -13.310 7.670 1.00 0.00 C ATOM 1137 C SER A 76 90.355 -12.192 8.670 1.00 0.00 C ATOM 1138 O SER A 76 91.216 -11.368 8.441 1.00 0.00 O ATOM 1139 CB SER A 76 90.575 -14.649 8.177 1.00 0.00 C ATOM 1140 OG SER A 76 89.507 -15.398 8.741 1.00 0.00 O ATOM 0 H SER A 76 91.679 -12.623 6.485 1.00 0.00 H new ATOM 0 HA SER A 76 88.959 -13.328 7.539 1.00 0.00 H new ATOM 0 HB2 SER A 76 91.031 -15.205 7.358 1.00 0.00 H new ATOM 0 HB3 SER A 76 91.353 -14.484 8.923 1.00 0.00 H new ATOM 0 HG SER A 76 89.846 -16.258 9.066 1.00 0.00 H new ATOM 1146 N CYS A 77 89.663 -12.158 9.776 1.00 0.00 N ATOM 1147 CA CYS A 77 89.931 -11.092 10.782 1.00 0.00 C ATOM 1148 C CYS A 77 90.183 -11.710 12.154 1.00 0.00 C ATOM 1149 O CYS A 77 89.909 -12.871 12.388 1.00 0.00 O ATOM 1150 CB CYS A 77 88.665 -10.238 10.809 1.00 0.00 C ATOM 1151 SG CYS A 77 88.728 -9.061 12.181 1.00 0.00 S ATOM 0 H CYS A 77 88.927 -12.819 10.026 1.00 0.00 H new ATOM 0 HA CYS A 77 90.814 -10.505 10.529 1.00 0.00 H new ATOM 0 HB2 CYS A 77 88.560 -9.702 9.866 1.00 0.00 H new ATOM 0 HB3 CYS A 77 87.789 -10.878 10.911 1.00 0.00 H new ATOM 1156 N SER A 78 90.701 -10.933 13.057 1.00 0.00 N ATOM 1157 CA SER A 78 90.985 -11.446 14.433 1.00 0.00 C ATOM 1158 C SER A 78 91.909 -10.480 15.181 1.00 0.00 C ATOM 1159 O SER A 78 92.759 -9.842 14.595 1.00 0.00 O ATOM 1160 CB SER A 78 91.682 -12.793 14.233 1.00 0.00 C ATOM 1161 OG SER A 78 92.378 -12.780 12.993 1.00 0.00 O ATOM 0 H SER A 78 90.944 -9.954 12.905 1.00 0.00 H new ATOM 0 HA SER A 78 90.074 -11.544 15.023 1.00 0.00 H new ATOM 0 HB2 SER A 78 92.377 -12.982 15.052 1.00 0.00 H new ATOM 0 HB3 SER A 78 90.950 -13.600 14.244 1.00 0.00 H new ATOM 0 HG SER A 78 92.827 -13.641 12.861 1.00 0.00 H new ATOM 1167 N ASN A 79 91.752 -10.378 16.474 1.00 0.00 N ATOM 1168 CA ASN A 79 92.624 -9.465 17.275 1.00 0.00 C ATOM 1169 C ASN A 79 92.902 -8.162 16.518 1.00 0.00 C ATOM 1170 O ASN A 79 94.037 -7.778 16.322 1.00 0.00 O ATOM 1171 CB ASN A 79 93.919 -10.246 17.487 1.00 0.00 C ATOM 1172 CG ASN A 79 93.626 -11.506 18.307 1.00 0.00 C ATOM 1173 OD1 ASN A 79 92.485 -11.895 18.457 1.00 0.00 O ATOM 1174 ND2 ASN A 79 94.615 -12.163 18.847 1.00 0.00 N ATOM 0 H ASN A 79 91.054 -10.890 17.014 1.00 0.00 H new ATOM 0 HA ASN A 79 92.153 -9.178 18.215 1.00 0.00 H new ATOM 0 HB2 ASN A 79 94.354 -10.518 16.525 1.00 0.00 H new ATOM 0 HB3 ASN A 79 94.651 -9.625 18.004 1.00 0.00 H new ATOM 0 HD21 ASN A 79 94.430 -13.003 19.395 1.00 0.00 H new ATOM 0 HD22 ASN A 79 95.573 -11.837 18.721 1.00 0.00 H new ATOM 1181 N ASN A 80 91.875 -7.478 16.098 1.00 0.00 N ATOM 1182 CA ASN A 80 92.070 -6.207 15.365 1.00 0.00 C ATOM 1183 C ASN A 80 93.170 -6.369 14.328 1.00 0.00 C ATOM 1184 O ASN A 80 93.978 -5.490 14.105 1.00 0.00 O ATOM 1185 CB ASN A 80 92.455 -5.189 16.433 1.00 0.00 C ATOM 1186 CG ASN A 80 91.576 -5.356 17.645 1.00 0.00 C ATOM 1187 OD1 ASN A 80 90.346 -5.677 17.475 1.00 0.00 O flip ATOM 1188 ND2 ASN A 80 92.017 -5.191 18.765 1.00 0.00 N flip ATOM 0 H ASN A 80 90.902 -7.752 16.235 1.00 0.00 H new ATOM 0 HA ASN A 80 91.178 -5.893 14.823 1.00 0.00 H new ATOM 0 HB2 ASN A 80 93.501 -5.320 16.711 1.00 0.00 H new ATOM 0 HB3 ASN A 80 92.354 -4.178 16.037 1.00 0.00 H new ATOM 0 HD21 ASN A 80 92.996 -4.936 18.895 1.00 0.00 H new ATOM 0 HD22 ASN A 80 91.408 -5.308 19.575 1.00 0.00 H new ATOM 1195 N GLU A 81 93.185 -7.495 13.686 1.00 0.00 N ATOM 1196 CA GLU A 81 94.205 -7.750 12.643 1.00 0.00 C ATOM 1197 C GLU A 81 93.557 -8.348 11.398 1.00 0.00 C ATOM 1198 O GLU A 81 92.538 -9.006 11.467 1.00 0.00 O ATOM 1199 CB GLU A 81 95.192 -8.738 13.260 1.00 0.00 C ATOM 1200 CG GLU A 81 96.105 -7.991 14.225 1.00 0.00 C ATOM 1201 CD GLU A 81 97.565 -8.323 13.912 1.00 0.00 C ATOM 1202 OE1 GLU A 81 98.154 -7.616 13.112 1.00 0.00 O ATOM 1203 OE2 GLU A 81 98.071 -9.277 14.479 1.00 0.00 O ATOM 0 H GLU A 81 92.527 -8.259 13.841 1.00 0.00 H new ATOM 0 HA GLU A 81 94.701 -6.830 12.333 1.00 0.00 H new ATOM 0 HB2 GLU A 81 94.655 -9.528 13.785 1.00 0.00 H new ATOM 0 HB3 GLU A 81 95.782 -9.218 12.479 1.00 0.00 H new ATOM 0 HG2 GLU A 81 95.940 -6.917 14.140 1.00 0.00 H new ATOM 0 HG3 GLU A 81 95.871 -8.269 15.252 1.00 0.00 H new ATOM 1210 N ILE A 82 94.147 -8.124 10.262 1.00 0.00 N ATOM 1211 CA ILE A 82 93.574 -8.677 9.000 1.00 0.00 C ATOM 1212 C ILE A 82 94.355 -9.919 8.568 1.00 0.00 C ATOM 1213 O ILE A 82 95.570 -9.927 8.548 1.00 0.00 O ATOM 1214 CB ILE A 82 93.720 -7.555 7.970 1.00 0.00 C ATOM 1215 CG1 ILE A 82 92.678 -6.469 8.251 1.00 0.00 C ATOM 1216 CG2 ILE A 82 93.500 -8.120 6.565 1.00 0.00 C ATOM 1217 CD1 ILE A 82 93.147 -5.140 7.656 1.00 0.00 C ATOM 0 H ILE A 82 95.003 -7.581 10.148 1.00 0.00 H new ATOM 0 HA ILE A 82 92.534 -8.983 9.115 1.00 0.00 H new ATOM 0 HB ILE A 82 94.720 -7.127 8.037 1.00 0.00 H new ATOM 0 HG12 ILE A 82 91.718 -6.753 7.821 1.00 0.00 H new ATOM 0 HG13 ILE A 82 92.528 -6.365 9.326 1.00 0.00 H new ATOM 0 HG21 ILE A 82 93.604 -7.321 5.831 1.00 0.00 H new ATOM 0 HG22 ILE A 82 94.240 -8.895 6.365 1.00 0.00 H new ATOM 0 HG23 ILE A 82 92.499 -8.547 6.497 1.00 0.00 H new ATOM 0 HD11 ILE A 82 92.404 -4.369 7.857 1.00 0.00 H new ATOM 0 HD12 ILE A 82 94.097 -4.855 8.107 1.00 0.00 H new ATOM 0 HD13 ILE A 82 93.275 -5.248 6.579 1.00 0.00 H new ATOM 1229 N THR A 83 93.665 -10.972 8.224 1.00 0.00 N ATOM 1230 CA THR A 83 94.360 -12.220 7.798 1.00 0.00 C ATOM 1231 C THR A 83 94.074 -12.498 6.318 1.00 0.00 C ATOM 1232 O THR A 83 92.983 -12.268 5.835 1.00 0.00 O ATOM 1233 CB THR A 83 93.769 -13.313 8.702 1.00 0.00 C ATOM 1234 OG1 THR A 83 94.523 -13.383 9.905 1.00 0.00 O ATOM 1235 CG2 THR A 83 93.811 -14.672 7.998 1.00 0.00 C ATOM 0 H THR A 83 92.646 -11.022 8.220 1.00 0.00 H new ATOM 0 HA THR A 83 95.444 -12.162 7.894 1.00 0.00 H new ATOM 0 HB THR A 83 92.731 -13.065 8.924 1.00 0.00 H new ATOM 0 HG1 THR A 83 94.149 -14.078 10.486 1.00 0.00 H new ATOM 0 HG21 THR A 83 93.389 -15.434 8.653 1.00 0.00 H new ATOM 0 HG22 THR A 83 93.230 -14.623 7.077 1.00 0.00 H new ATOM 0 HG23 THR A 83 94.844 -14.928 7.763 1.00 0.00 H new ATOM 1243 N CYS A 84 95.043 -12.988 5.595 1.00 0.00 N ATOM 1244 CA CYS A 84 94.819 -13.275 4.149 1.00 0.00 C ATOM 1245 C CYS A 84 95.224 -14.715 3.820 1.00 0.00 C ATOM 1246 O CYS A 84 96.215 -15.219 4.311 1.00 0.00 O ATOM 1247 CB CYS A 84 95.710 -12.284 3.401 1.00 0.00 C ATOM 1248 SG CYS A 84 94.719 -11.393 2.178 1.00 0.00 S ATOM 0 H CYS A 84 95.978 -13.202 5.941 1.00 0.00 H new ATOM 0 HA CYS A 84 93.770 -13.171 3.870 1.00 0.00 H new ATOM 0 HB2 CYS A 84 96.161 -11.582 4.102 1.00 0.00 H new ATOM 0 HB3 CYS A 84 96.527 -12.812 2.909 1.00 0.00 H new ATOM 1253 N SER A 85 94.463 -15.379 2.992 1.00 0.00 N ATOM 1254 CA SER A 85 94.800 -16.785 2.629 1.00 0.00 C ATOM 1255 C SER A 85 96.213 -16.859 2.044 1.00 0.00 C ATOM 1256 O SER A 85 96.517 -16.228 1.051 1.00 0.00 O ATOM 1257 CB SER A 85 93.767 -17.180 1.575 1.00 0.00 C ATOM 1258 OG SER A 85 92.667 -16.282 1.633 1.00 0.00 O ATOM 0 H SER A 85 93.622 -15.008 2.551 1.00 0.00 H new ATOM 0 HA SER A 85 94.778 -17.449 3.493 1.00 0.00 H new ATOM 0 HB2 SER A 85 94.217 -17.158 0.582 1.00 0.00 H new ATOM 0 HB3 SER A 85 93.427 -18.201 1.748 1.00 0.00 H new ATOM 0 HG SER A 85 91.996 -16.626 2.259 1.00 0.00 H new ATOM 1264 N SER A 86 97.076 -17.627 2.647 1.00 0.00 N ATOM 1265 CA SER A 86 98.465 -17.741 2.120 1.00 0.00 C ATOM 1266 C SER A 86 98.432 -18.154 0.647 1.00 0.00 C ATOM 1267 O SER A 86 99.377 -17.948 -0.087 1.00 0.00 O ATOM 1268 CB SER A 86 99.124 -18.824 2.972 1.00 0.00 C ATOM 1269 OG SER A 86 98.680 -20.102 2.533 1.00 0.00 O ATOM 0 H SER A 86 96.881 -18.180 3.481 1.00 0.00 H new ATOM 0 HA SER A 86 99.010 -16.799 2.173 1.00 0.00 H new ATOM 0 HB2 SER A 86 100.209 -18.756 2.892 1.00 0.00 H new ATOM 0 HB3 SER A 86 98.872 -18.680 4.023 1.00 0.00 H new ATOM 0 HG SER A 86 99.102 -20.800 3.077 1.00 0.00 H new ATOM 1275 N GLU A 87 97.346 -18.730 0.209 1.00 0.00 N ATOM 1276 CA GLU A 87 97.249 -19.151 -1.217 1.00 0.00 C ATOM 1277 C GLU A 87 97.425 -17.935 -2.129 1.00 0.00 C ATOM 1278 O GLU A 87 97.793 -18.055 -3.281 1.00 0.00 O ATOM 1279 CB GLU A 87 95.841 -19.727 -1.363 1.00 0.00 C ATOM 1280 CG GLU A 87 95.860 -21.220 -1.029 1.00 0.00 C ATOM 1281 CD GLU A 87 94.836 -21.953 -1.901 1.00 0.00 C ATOM 1282 OE1 GLU A 87 94.399 -21.373 -2.881 1.00 0.00 O ATOM 1283 OE2 GLU A 87 94.508 -23.081 -1.572 1.00 0.00 O ATOM 0 H GLU A 87 96.522 -18.927 0.777 1.00 0.00 H new ATOM 0 HA GLU A 87 98.016 -19.875 -1.492 1.00 0.00 H new ATOM 0 HB2 GLU A 87 95.153 -19.204 -0.699 1.00 0.00 H new ATOM 0 HB3 GLU A 87 95.479 -19.576 -2.380 1.00 0.00 H new ATOM 0 HG2 GLU A 87 96.856 -21.629 -1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 87 95.629 -21.370 0.026 1.00 0.00 H new ATOM 1290 N ASN A 88 97.158 -16.765 -1.618 1.00 0.00 N ATOM 1291 CA ASN A 88 97.299 -15.534 -2.443 1.00 0.00 C ATOM 1292 C ASN A 88 98.647 -15.528 -3.170 1.00 0.00 C ATOM 1293 O ASN A 88 99.676 -15.254 -2.585 1.00 0.00 O ATOM 1294 CB ASN A 88 97.227 -14.379 -1.445 1.00 0.00 C ATOM 1295 CG ASN A 88 95.809 -14.280 -0.881 1.00 0.00 C ATOM 1296 OD1 ASN A 88 95.075 -15.248 -0.876 1.00 0.00 O ATOM 1297 ND2 ASN A 88 95.391 -13.142 -0.400 1.00 0.00 N ATOM 0 H ASN A 88 96.847 -16.609 -0.659 1.00 0.00 H new ATOM 0 HA ASN A 88 96.527 -15.464 -3.209 1.00 0.00 H new ATOM 0 HB2 ASN A 88 97.941 -14.538 -0.637 1.00 0.00 H new ATOM 0 HB3 ASN A 88 97.501 -13.444 -1.934 1.00 0.00 H new ATOM 0 HD21 ASN A 88 94.448 -13.065 -0.020 1.00 0.00 H new ATOM 0 HD22 ASN A 88 96.007 -12.329 -0.404 1.00 0.00 H new ATOM 1304 N ASN A 89 98.649 -15.818 -4.442 1.00 0.00 N ATOM 1305 CA ASN A 89 99.932 -15.818 -5.199 1.00 0.00 C ATOM 1306 C ASN A 89 100.541 -14.413 -5.193 1.00 0.00 C ATOM 1307 O ASN A 89 100.020 -13.504 -4.577 1.00 0.00 O ATOM 1308 CB ASN A 89 99.557 -16.238 -6.620 1.00 0.00 C ATOM 1309 CG ASN A 89 98.356 -15.420 -7.097 1.00 0.00 C ATOM 1310 OD1 ASN A 89 97.995 -14.435 -6.486 1.00 0.00 O ATOM 1311 ND2 ASN A 89 97.719 -15.790 -8.175 1.00 0.00 N ATOM 0 H ASN A 89 97.821 -16.054 -4.988 1.00 0.00 H new ATOM 0 HA ASN A 89 100.672 -16.489 -4.763 1.00 0.00 H new ATOM 0 HB2 ASN A 89 100.403 -16.085 -7.290 1.00 0.00 H new ATOM 0 HB3 ASN A 89 99.318 -17.301 -6.645 1.00 0.00 H new ATOM 0 HD21 ASN A 89 96.918 -15.251 -8.504 1.00 0.00 H new ATOM 0 HD22 ASN A 89 98.023 -16.618 -8.688 1.00 0.00 H new ATOM 1318 N ALA A 90 101.643 -14.229 -5.865 1.00 0.00 N ATOM 1319 CA ALA A 90 102.288 -12.887 -5.892 1.00 0.00 C ATOM 1320 C ALA A 90 101.248 -11.790 -6.146 1.00 0.00 C ATOM 1321 O ALA A 90 101.273 -10.746 -5.525 1.00 0.00 O ATOM 1322 CB ALA A 90 103.288 -12.951 -7.048 1.00 0.00 C ATOM 0 H ALA A 90 102.126 -14.952 -6.398 1.00 0.00 H new ATOM 0 HA ALA A 90 102.769 -12.648 -4.943 1.00 0.00 H new ATOM 0 HB1 ALA A 90 103.806 -11.996 -7.134 1.00 0.00 H new ATOM 0 HB2 ALA A 90 104.014 -13.742 -6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 90 102.757 -13.161 -7.977 1.00 0.00 H new ATOM 1328 N CYS A 91 100.340 -12.014 -7.057 1.00 0.00 N ATOM 1329 CA CYS A 91 99.306 -10.977 -7.353 1.00 0.00 C ATOM 1330 C CYS A 91 98.281 -10.899 -6.219 1.00 0.00 C ATOM 1331 O CYS A 91 98.007 -9.840 -5.690 1.00 0.00 O ATOM 1332 CB CYS A 91 98.635 -11.444 -8.644 1.00 0.00 C ATOM 1333 SG CYS A 91 99.860 -11.502 -9.976 1.00 0.00 S ATOM 0 H CYS A 91 100.268 -12.869 -7.609 1.00 0.00 H new ATOM 0 HA CYS A 91 99.743 -9.983 -7.452 1.00 0.00 H new ATOM 0 HB2 CYS A 91 98.192 -12.429 -8.500 1.00 0.00 H new ATOM 0 HB3 CYS A 91 97.824 -10.766 -8.911 1.00 0.00 H new ATOM 1338 N GLU A 92 97.711 -12.009 -5.842 1.00 0.00 N ATOM 1339 CA GLU A 92 96.701 -11.992 -4.745 1.00 0.00 C ATOM 1340 C GLU A 92 97.337 -11.486 -3.450 1.00 0.00 C ATOM 1341 O GLU A 92 96.729 -10.758 -2.691 1.00 0.00 O ATOM 1342 CB GLU A 92 96.259 -13.447 -4.592 1.00 0.00 C ATOM 1343 CG GLU A 92 95.345 -13.829 -5.756 1.00 0.00 C ATOM 1344 CD GLU A 92 94.908 -15.286 -5.603 1.00 0.00 C ATOM 1345 OE1 GLU A 92 95.740 -16.097 -5.228 1.00 0.00 O ATOM 1346 OE2 GLU A 92 93.749 -15.569 -5.862 1.00 0.00 O ATOM 0 H GLU A 92 97.900 -12.927 -6.245 1.00 0.00 H new ATOM 0 HA GLU A 92 95.862 -11.332 -4.966 1.00 0.00 H new ATOM 0 HB2 GLU A 92 97.130 -14.102 -4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 92 95.735 -13.581 -3.646 1.00 0.00 H new ATOM 0 HG2 GLU A 92 94.472 -13.176 -5.776 1.00 0.00 H new ATOM 0 HG3 GLU A 92 95.867 -13.692 -6.703 1.00 0.00 H new ATOM 1353 N ALA A 93 98.558 -11.866 -3.192 1.00 0.00 N ATOM 1354 CA ALA A 93 99.230 -11.405 -1.945 1.00 0.00 C ATOM 1355 C ALA A 93 99.513 -9.903 -2.022 1.00 0.00 C ATOM 1356 O ALA A 93 99.386 -9.188 -1.047 1.00 0.00 O ATOM 1357 CB ALA A 93 100.536 -12.199 -1.881 1.00 0.00 C ATOM 0 H ALA A 93 99.118 -12.474 -3.789 1.00 0.00 H new ATOM 0 HA ALA A 93 98.615 -11.565 -1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 93 101.091 -11.915 -0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 93 100.312 -13.265 -1.846 1.00 0.00 H new ATOM 0 HB3 ALA A 93 101.137 -11.983 -2.764 1.00 0.00 H new ATOM 1363 N PHE A 94 99.891 -9.416 -3.172 1.00 0.00 N ATOM 1364 CA PHE A 94 100.174 -7.959 -3.303 1.00 0.00 C ATOM 1365 C PHE A 94 98.870 -7.164 -3.210 1.00 0.00 C ATOM 1366 O PHE A 94 98.794 -6.152 -2.543 1.00 0.00 O ATOM 1367 CB PHE A 94 100.806 -7.795 -4.686 1.00 0.00 C ATOM 1368 CG PHE A 94 101.474 -6.444 -4.772 1.00 0.00 C ATOM 1369 CD1 PHE A 94 100.698 -5.280 -4.822 1.00 0.00 C ATOM 1370 CD2 PHE A 94 102.871 -6.355 -4.800 1.00 0.00 C ATOM 1371 CE1 PHE A 94 101.319 -4.028 -4.899 1.00 0.00 C ATOM 1372 CE2 PHE A 94 103.491 -5.102 -4.878 1.00 0.00 C ATOM 1373 CZ PHE A 94 102.715 -3.939 -4.927 1.00 0.00 C ATOM 0 H PHE A 94 100.016 -9.962 -4.024 1.00 0.00 H new ATOM 0 HA PHE A 94 100.831 -7.592 -2.514 1.00 0.00 H new ATOM 0 HB2 PHE A 94 101.535 -8.586 -4.861 1.00 0.00 H new ATOM 0 HB3 PHE A 94 100.044 -7.887 -5.460 1.00 0.00 H new ATOM 0 HD1 PHE A 94 99.620 -5.348 -4.801 1.00 0.00 H new ATOM 0 HD2 PHE A 94 103.470 -7.253 -4.761 1.00 0.00 H new ATOM 0 HE1 PHE A 94 100.720 -3.130 -4.937 1.00 0.00 H new ATOM 0 HE2 PHE A 94 104.569 -5.033 -4.900 1.00 0.00 H new ATOM 0 HZ PHE A 94 103.193 -2.973 -4.986 1.00 0.00 H new ATOM 1383 N ILE A 95 97.841 -7.618 -3.874 1.00 0.00 N ATOM 1384 CA ILE A 95 96.540 -6.891 -3.821 1.00 0.00 C ATOM 1385 C ILE A 95 95.990 -6.905 -2.394 1.00 0.00 C ATOM 1386 O ILE A 95 95.407 -5.944 -1.934 1.00 0.00 O ATOM 1387 CB ILE A 95 95.618 -7.667 -4.760 1.00 0.00 C ATOM 1388 CG1 ILE A 95 96.052 -7.428 -6.208 1.00 0.00 C ATOM 1389 CG2 ILE A 95 94.177 -7.185 -4.575 1.00 0.00 C ATOM 1390 CD1 ILE A 95 95.341 -8.423 -7.127 1.00 0.00 C ATOM 0 H ILE A 95 97.845 -8.460 -4.450 1.00 0.00 H new ATOM 0 HA ILE A 95 96.634 -5.846 -4.115 1.00 0.00 H new ATOM 0 HB ILE A 95 95.677 -8.731 -4.531 1.00 0.00 H new ATOM 0 HG12 ILE A 95 95.813 -6.407 -6.506 1.00 0.00 H new ATOM 0 HG13 ILE A 95 97.132 -7.542 -6.298 1.00 0.00 H new ATOM 0 HG21 ILE A 95 93.519 -7.739 -5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 95 93.867 -7.351 -3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 95 94.117 -6.121 -4.805 1.00 0.00 H new ATOM 0 HD11 ILE A 95 95.651 -8.252 -8.158 1.00 0.00 H new ATOM 0 HD12 ILE A 95 95.602 -9.440 -6.834 1.00 0.00 H new ATOM 0 HD13 ILE A 95 94.263 -8.287 -7.045 1.00 0.00 H new ATOM 1402 N CYS A 96 96.174 -7.988 -1.689 1.00 0.00 N ATOM 1403 CA CYS A 96 95.665 -8.061 -0.291 1.00 0.00 C ATOM 1404 C CYS A 96 96.434 -7.080 0.594 1.00 0.00 C ATOM 1405 O CYS A 96 95.871 -6.425 1.449 1.00 0.00 O ATOM 1406 CB CYS A 96 95.923 -9.500 0.149 1.00 0.00 C ATOM 1407 SG CYS A 96 95.690 -9.638 1.938 1.00 0.00 S ATOM 0 H CYS A 96 96.654 -8.824 -2.021 1.00 0.00 H new ATOM 0 HA CYS A 96 94.610 -7.799 -0.217 1.00 0.00 H new ATOM 0 HB2 CYS A 96 95.244 -10.177 -0.370 1.00 0.00 H new ATOM 0 HB3 CYS A 96 96.937 -9.797 -0.120 1.00 0.00 H new ATOM 1412 N ASN A 97 97.719 -6.967 0.392 1.00 0.00 N ATOM 1413 CA ASN A 97 98.517 -6.020 1.217 1.00 0.00 C ATOM 1414 C ASN A 97 97.983 -4.599 1.030 1.00 0.00 C ATOM 1415 O ASN A 97 97.928 -3.819 1.959 1.00 0.00 O ATOM 1416 CB ASN A 97 99.948 -6.132 0.688 1.00 0.00 C ATOM 1417 CG ASN A 97 100.521 -7.499 1.047 1.00 0.00 C ATOM 1418 OD1 ASN A 97 99.884 -8.284 1.721 1.00 0.00 O ATOM 1419 ND2 ASN A 97 101.709 -7.817 0.622 1.00 0.00 N ATOM 0 H ASN A 97 98.248 -7.489 -0.307 1.00 0.00 H new ATOM 0 HA ASN A 97 98.465 -6.248 2.282 1.00 0.00 H new ATOM 0 HB2 ASN A 97 99.958 -5.995 -0.393 1.00 0.00 H new ATOM 0 HB3 ASN A 97 100.567 -5.343 1.115 1.00 0.00 H new ATOM 0 HD21 ASN A 97 102.107 -8.727 0.855 1.00 0.00 H new ATOM 0 HD22 ASN A 97 102.242 -7.156 0.056 1.00 0.00 H new ATOM 1426 N CYS A 98 97.575 -4.265 -0.164 1.00 0.00 N ATOM 1427 CA CYS A 98 97.030 -2.900 -0.408 1.00 0.00 C ATOM 1428 C CYS A 98 95.744 -2.718 0.398 1.00 0.00 C ATOM 1429 O CYS A 98 95.566 -1.736 1.091 1.00 0.00 O ATOM 1430 CB CYS A 98 96.742 -2.846 -1.910 1.00 0.00 C ATOM 1431 SG CYS A 98 98.195 -3.419 -2.827 1.00 0.00 S ATOM 0 H CYS A 98 97.596 -4.877 -0.979 1.00 0.00 H new ATOM 0 HA CYS A 98 97.718 -2.110 -0.107 1.00 0.00 H new ATOM 0 HB2 CYS A 98 95.880 -3.469 -2.148 1.00 0.00 H new ATOM 0 HB3 CYS A 98 96.491 -1.828 -2.206 1.00 0.00 H new ATOM 1436 N ASP A 99 94.852 -3.669 0.324 1.00 0.00 N ATOM 1437 CA ASP A 99 93.584 -3.560 1.101 1.00 0.00 C ATOM 1438 C ASP A 99 93.903 -3.540 2.597 1.00 0.00 C ATOM 1439 O ASP A 99 93.305 -2.810 3.363 1.00 0.00 O ATOM 1440 CB ASP A 99 92.788 -4.815 0.740 1.00 0.00 C ATOM 1441 CG ASP A 99 91.959 -4.551 -0.517 1.00 0.00 C ATOM 1442 OD1 ASP A 99 91.649 -3.398 -0.768 1.00 0.00 O ATOM 1443 OD2 ASP A 99 91.647 -5.506 -1.209 1.00 0.00 O ATOM 0 H ASP A 99 94.946 -4.514 -0.239 1.00 0.00 H new ATOM 0 HA ASP A 99 93.028 -2.651 0.873 1.00 0.00 H new ATOM 0 HB2 ASP A 99 93.466 -5.652 0.572 1.00 0.00 H new ATOM 0 HB3 ASP A 99 92.135 -5.094 1.567 1.00 0.00 H new ATOM 1448 N ARG A 100 94.854 -4.333 3.015 1.00 0.00 N ATOM 1449 CA ARG A 100 95.227 -4.359 4.457 1.00 0.00 C ATOM 1450 C ARG A 100 96.002 -3.088 4.811 1.00 0.00 C ATOM 1451 O ARG A 100 95.643 -2.360 5.714 1.00 0.00 O ATOM 1452 CB ARG A 100 96.118 -5.592 4.613 1.00 0.00 C ATOM 1453 CG ARG A 100 96.179 -5.998 6.087 1.00 0.00 C ATOM 1454 CD ARG A 100 97.537 -6.639 6.384 1.00 0.00 C ATOM 1455 NE ARG A 100 97.223 -8.013 6.833 1.00 0.00 N ATOM 1456 CZ ARG A 100 98.181 -8.875 7.028 1.00 0.00 C ATOM 1457 NH1 ARG A 100 98.619 -9.601 6.036 1.00 0.00 N ATOM 1458 NH2 ARG A 100 98.705 -9.011 8.216 1.00 0.00 N ATOM 0 H ARG A 100 95.388 -4.964 2.418 1.00 0.00 H new ATOM 0 HA ARG A 100 94.358 -4.402 5.114 1.00 0.00 H new ATOM 0 HB2 ARG A 100 95.726 -6.414 4.015 1.00 0.00 H new ATOM 0 HB3 ARG A 100 97.121 -5.378 4.243 1.00 0.00 H new ATOM 0 HG2 ARG A 100 96.030 -5.125 6.722 1.00 0.00 H new ATOM 0 HG3 ARG A 100 95.376 -6.699 6.316 1.00 0.00 H new ATOM 0 HD2 ARG A 100 98.171 -6.649 5.497 1.00 0.00 H new ATOM 0 HD3 ARG A 100 98.075 -6.086 7.154 1.00 0.00 H new ATOM 0 HE ARG A 100 96.253 -8.287 6.991 1.00 0.00 H new ATOM 0 HH11 ARG A 100 98.212 -9.494 5.107 1.00 0.00 H new ATOM 0 HH12 ARG A 100 99.369 -10.275 6.190 1.00 0.00 H new ATOM 0 HH21 ARG A 100 98.365 -8.443 8.992 1.00 0.00 H new ATOM 0 HH22 ARG A 100 99.455 -9.686 8.369 1.00 0.00 H new ATOM 1472 N ASN A 101 97.061 -2.813 4.097 1.00 0.00 N ATOM 1473 CA ASN A 101 97.853 -1.584 4.384 1.00 0.00 C ATOM 1474 C ASN A 101 96.940 -0.360 4.318 1.00 0.00 C ATOM 1475 O ASN A 101 97.157 0.630 4.988 1.00 0.00 O ATOM 1476 CB ASN A 101 98.914 -1.523 3.284 1.00 0.00 C ATOM 1477 CG ASN A 101 100.064 -2.465 3.624 1.00 0.00 C ATOM 1478 OD1 ASN A 101 100.018 -3.172 4.611 1.00 0.00 O ATOM 1479 ND2 ASN A 101 101.102 -2.503 2.840 1.00 0.00 N ATOM 0 H ASN A 101 97.411 -3.386 3.329 1.00 0.00 H new ATOM 0 HA ASN A 101 98.305 -1.600 5.376 1.00 0.00 H new ATOM 0 HB2 ASN A 101 98.475 -1.801 2.326 1.00 0.00 H new ATOM 0 HB3 ASN A 101 99.285 -0.503 3.180 1.00 0.00 H new ATOM 0 HD21 ASN A 101 101.880 -3.127 3.053 1.00 0.00 H new ATOM 0 HD22 ASN A 101 101.138 -1.908 2.012 1.00 0.00 H new ATOM 1486 N ALA A 102 95.913 -0.425 3.514 1.00 0.00 N ATOM 1487 CA ALA A 102 94.976 0.729 3.403 1.00 0.00 C ATOM 1488 C ALA A 102 94.129 0.836 4.674 1.00 0.00 C ATOM 1489 O ALA A 102 94.068 1.872 5.307 1.00 0.00 O ATOM 1490 CB ALA A 102 94.095 0.410 2.196 1.00 0.00 C ATOM 0 H ALA A 102 95.683 -1.228 2.929 1.00 0.00 H new ATOM 0 HA ALA A 102 95.497 1.679 3.284 1.00 0.00 H new ATOM 0 HB1 ALA A 102 93.376 1.215 2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 102 94.718 0.311 1.307 1.00 0.00 H new ATOM 0 HB3 ALA A 102 93.562 -0.525 2.371 1.00 0.00 H new ATOM 1496 N ALA A 103 93.480 -0.230 5.055 1.00 0.00 N ATOM 1497 CA ALA A 103 92.643 -0.195 6.288 1.00 0.00 C ATOM 1498 C ALA A 103 93.527 0.060 7.511 1.00 0.00 C ATOM 1499 O ALA A 103 93.164 0.790 8.412 1.00 0.00 O ATOM 1500 CB ALA A 103 91.998 -1.578 6.369 1.00 0.00 C ATOM 0 H ALA A 103 93.493 -1.125 4.565 1.00 0.00 H new ATOM 0 HA ALA A 103 91.896 0.599 6.262 1.00 0.00 H new ATOM 0 HB1 ALA A 103 91.364 -1.632 7.254 1.00 0.00 H new ATOM 0 HB2 ALA A 103 91.394 -1.751 5.478 1.00 0.00 H new ATOM 0 HB3 ALA A 103 92.776 -2.339 6.433 1.00 0.00 H new ATOM 1506 N ILE A 104 94.689 -0.533 7.545 1.00 0.00 N ATOM 1507 CA ILE A 104 95.603 -0.323 8.704 1.00 0.00 C ATOM 1508 C ILE A 104 95.945 1.164 8.833 1.00 0.00 C ATOM 1509 O ILE A 104 96.099 1.684 9.920 1.00 0.00 O ATOM 1510 CB ILE A 104 96.853 -1.137 8.372 1.00 0.00 C ATOM 1511 CG1 ILE A 104 96.574 -2.622 8.619 1.00 0.00 C ATOM 1512 CG2 ILE A 104 98.013 -0.683 9.260 1.00 0.00 C ATOM 1513 CD1 ILE A 104 97.874 -3.416 8.485 1.00 0.00 C ATOM 0 H ILE A 104 95.046 -1.155 6.819 1.00 0.00 H new ATOM 0 HA ILE A 104 95.158 -0.632 9.650 1.00 0.00 H new ATOM 0 HB ILE A 104 97.117 -0.984 7.326 1.00 0.00 H new ATOM 0 HG12 ILE A 104 96.151 -2.763 9.614 1.00 0.00 H new ATOM 0 HG13 ILE A 104 95.837 -2.988 7.904 1.00 0.00 H new ATOM 0 HG21 ILE A 104 98.903 -1.265 9.021 1.00 0.00 H new ATOM 0 HG22 ILE A 104 98.213 0.374 9.085 1.00 0.00 H new ATOM 0 HG23 ILE A 104 97.751 -0.834 10.307 1.00 0.00 H new ATOM 0 HD11 ILE A 104 97.675 -4.473 8.661 1.00 0.00 H new ATOM 0 HD12 ILE A 104 98.278 -3.285 7.481 1.00 0.00 H new ATOM 0 HD13 ILE A 104 98.597 -3.056 9.217 1.00 0.00 H new ATOM 1525 N CYS A 105 96.063 1.850 7.729 1.00 0.00 N ATOM 1526 CA CYS A 105 96.392 3.303 7.785 1.00 0.00 C ATOM 1527 C CYS A 105 95.250 4.077 8.452 1.00 0.00 C ATOM 1528 O CYS A 105 95.475 4.962 9.254 1.00 0.00 O ATOM 1529 CB CYS A 105 96.551 3.730 6.327 1.00 0.00 C ATOM 1530 SG CYS A 105 97.498 5.270 6.251 1.00 0.00 S ATOM 0 H CYS A 105 95.946 1.467 6.791 1.00 0.00 H new ATOM 0 HA CYS A 105 97.292 3.501 8.367 1.00 0.00 H new ATOM 0 HB2 CYS A 105 97.060 2.949 5.761 1.00 0.00 H new ATOM 0 HB3 CYS A 105 95.572 3.869 5.869 1.00 0.00 H new ATOM 1535 N PHE A 106 94.028 3.746 8.133 1.00 0.00 N ATOM 1536 CA PHE A 106 92.881 4.458 8.753 1.00 0.00 C ATOM 1537 C PHE A 106 93.000 4.391 10.273 1.00 0.00 C ATOM 1538 O PHE A 106 92.755 5.353 10.973 1.00 0.00 O ATOM 1539 CB PHE A 106 91.637 3.699 8.283 1.00 0.00 C ATOM 1540 CG PHE A 106 91.575 3.685 6.770 1.00 0.00 C ATOM 1541 CD1 PHE A 106 92.389 4.543 6.018 1.00 0.00 C ATOM 1542 CD2 PHE A 106 90.698 2.808 6.121 1.00 0.00 C ATOM 1543 CE1 PHE A 106 92.325 4.524 4.619 1.00 0.00 C ATOM 1544 CE2 PHE A 106 90.634 2.789 4.722 1.00 0.00 C ATOM 1545 CZ PHE A 106 91.446 3.647 3.971 1.00 0.00 C ATOM 0 H PHE A 106 93.777 3.013 7.470 1.00 0.00 H new ATOM 0 HA PHE A 106 92.842 5.511 8.472 1.00 0.00 H new ATOM 0 HB2 PHE A 106 91.660 2.678 8.663 1.00 0.00 H new ATOM 0 HB3 PHE A 106 90.741 4.169 8.687 1.00 0.00 H new ATOM 0 HD1 PHE A 106 93.066 5.220 6.518 1.00 0.00 H new ATOM 0 HD2 PHE A 106 90.071 2.146 6.699 1.00 0.00 H new ATOM 0 HE1 PHE A 106 92.953 5.185 4.040 1.00 0.00 H new ATOM 0 HE2 PHE A 106 89.957 2.112 4.222 1.00 0.00 H new ATOM 0 HZ PHE A 106 91.395 3.633 2.892 1.00 0.00 H new ATOM 1555 N SER A 107 93.382 3.254 10.783 1.00 0.00 N ATOM 1556 CA SER A 107 93.529 3.108 12.259 1.00 0.00 C ATOM 1557 C SER A 107 94.857 3.718 12.712 1.00 0.00 C ATOM 1558 O SER A 107 95.066 3.978 13.880 1.00 0.00 O ATOM 1559 CB SER A 107 93.515 1.601 12.514 1.00 0.00 C ATOM 1560 OG SER A 107 94.808 1.069 12.257 1.00 0.00 O ATOM 0 H SER A 107 93.599 2.418 10.241 1.00 0.00 H new ATOM 0 HA SER A 107 92.737 3.618 12.808 1.00 0.00 H new ATOM 0 HB2 SER A 107 93.224 1.398 13.544 1.00 0.00 H new ATOM 0 HB3 SER A 107 92.777 1.119 11.873 1.00 0.00 H new ATOM 0 HG SER A 107 95.110 1.358 11.371 1.00 0.00 H new ATOM 1566 N LYS A 108 95.754 3.946 11.794 1.00 0.00 N ATOM 1567 CA LYS A 108 97.070 4.540 12.166 1.00 0.00 C ATOM 1568 C LYS A 108 97.058 6.050 11.910 1.00 0.00 C ATOM 1569 O LYS A 108 98.065 6.718 12.033 1.00 0.00 O ATOM 1570 CB LYS A 108 98.087 3.849 11.258 1.00 0.00 C ATOM 1571 CG LYS A 108 98.055 2.340 11.507 1.00 0.00 C ATOM 1572 CD LYS A 108 99.135 1.968 12.525 1.00 0.00 C ATOM 1573 CE LYS A 108 98.491 1.256 13.717 1.00 0.00 C ATOM 1574 NZ LYS A 108 99.548 0.343 14.234 1.00 0.00 N ATOM 0 H LYS A 108 95.633 3.747 10.801 1.00 0.00 H new ATOM 0 HA LYS A 108 97.305 4.399 13.221 1.00 0.00 H new ATOM 0 HB2 LYS A 108 97.859 4.060 10.213 1.00 0.00 H new ATOM 0 HB3 LYS A 108 99.086 4.239 11.452 1.00 0.00 H new ATOM 0 HG2 LYS A 108 97.074 2.042 11.877 1.00 0.00 H new ATOM 0 HG3 LYS A 108 98.220 1.803 10.573 1.00 0.00 H new ATOM 0 HD2 LYS A 108 99.880 1.321 12.061 1.00 0.00 H new ATOM 0 HD3 LYS A 108 99.656 2.864 12.862 1.00 0.00 H new ATOM 0 HE2 LYS A 108 98.176 1.968 14.480 1.00 0.00 H new ATOM 0 HE3 LYS A 108 97.603 0.701 13.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 99.183 -0.182 15.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 99.823 -0.328 13.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 100.378 0.900 14.521 1.00 0.00 H new ATOM 1588 N VAL A 109 95.925 6.589 11.552 1.00 0.00 N ATOM 1589 CA VAL A 109 95.848 8.054 11.286 1.00 0.00 C ATOM 1590 C VAL A 109 94.521 8.614 11.805 1.00 0.00 C ATOM 1591 O VAL A 109 93.574 7.880 12.003 1.00 0.00 O ATOM 1592 CB VAL A 109 95.926 8.185 9.765 1.00 0.00 C ATOM 1593 CG1 VAL A 109 97.236 7.573 9.266 1.00 0.00 C ATOM 1594 CG2 VAL A 109 94.745 7.448 9.130 1.00 0.00 C ATOM 0 H VAL A 109 95.050 6.079 11.432 1.00 0.00 H new ATOM 0 HA VAL A 109 96.644 8.607 11.784 1.00 0.00 H new ATOM 0 HB VAL A 109 95.889 9.239 9.489 1.00 0.00 H new ATOM 0 HG11 VAL A 109 97.291 7.667 8.181 1.00 0.00 H new ATOM 0 HG12 VAL A 109 98.078 8.097 9.719 1.00 0.00 H new ATOM 0 HG13 VAL A 109 97.273 6.519 9.542 1.00 0.00 H new ATOM 0 HG21 VAL A 109 94.799 7.540 8.045 1.00 0.00 H new ATOM 0 HG22 VAL A 109 94.782 6.394 9.407 1.00 0.00 H new ATOM 0 HG23 VAL A 109 93.811 7.883 9.485 1.00 0.00 H new ATOM 1604 N PRO A 110 94.500 9.903 12.003 1.00 0.00 N ATOM 1605 CA PRO A 110 93.277 10.578 12.502 1.00 0.00 C ATOM 1606 C PRO A 110 92.214 10.636 11.400 1.00 0.00 C ATOM 1607 O PRO A 110 92.481 10.338 10.252 1.00 0.00 O ATOM 1608 CB PRO A 110 93.764 11.979 12.864 1.00 0.00 C ATOM 1609 CG PRO A 110 94.979 12.197 12.019 1.00 0.00 C ATOM 1610 CD PRO A 110 95.603 10.845 11.784 1.00 0.00 C ATOM 0 HA PRO A 110 92.814 10.063 13.344 1.00 0.00 H new ATOM 0 HB2 PRO A 110 93.000 12.728 12.657 1.00 0.00 H new ATOM 0 HB3 PRO A 110 94.003 12.052 13.925 1.00 0.00 H new ATOM 0 HG2 PRO A 110 94.711 12.667 11.073 1.00 0.00 H new ATOM 0 HG3 PRO A 110 95.681 12.864 12.519 1.00 0.00 H new ATOM 0 HD2 PRO A 110 96.005 10.761 10.774 1.00 0.00 H new ATOM 0 HD3 PRO A 110 96.428 10.661 12.472 1.00 0.00 H new ATOM 1618 N TYR A 111 91.012 11.014 11.739 1.00 0.00 N ATOM 1619 CA TYR A 111 89.937 11.084 10.708 1.00 0.00 C ATOM 1620 C TYR A 111 89.050 12.313 10.944 1.00 0.00 C ATOM 1621 O TYR A 111 88.080 12.258 11.673 1.00 0.00 O ATOM 1622 CB TYR A 111 89.134 9.793 10.889 1.00 0.00 C ATOM 1623 CG TYR A 111 87.784 9.934 10.224 1.00 0.00 C ATOM 1624 CD1 TYR A 111 87.701 10.288 8.873 1.00 0.00 C ATOM 1625 CD2 TYR A 111 86.616 9.711 10.962 1.00 0.00 C ATOM 1626 CE1 TYR A 111 86.450 10.419 8.258 1.00 0.00 C ATOM 1627 CE2 TYR A 111 85.364 9.841 10.348 1.00 0.00 C ATOM 1628 CZ TYR A 111 85.281 10.196 8.996 1.00 0.00 C ATOM 1629 OH TYR A 111 84.047 10.326 8.393 1.00 0.00 O ATOM 0 H TYR A 111 90.728 11.277 12.683 1.00 0.00 H new ATOM 0 HA TYR A 111 90.337 11.177 9.698 1.00 0.00 H new ATOM 0 HB2 TYR A 111 89.677 8.952 10.457 1.00 0.00 H new ATOM 0 HB3 TYR A 111 89.007 9.579 11.950 1.00 0.00 H new ATOM 0 HD1 TYR A 111 88.603 10.460 8.304 1.00 0.00 H new ATOM 0 HD2 TYR A 111 86.680 9.439 12.005 1.00 0.00 H new ATOM 0 HE1 TYR A 111 86.387 10.692 7.215 1.00 0.00 H new ATOM 0 HE2 TYR A 111 84.463 9.667 10.917 1.00 0.00 H new ATOM 0 HH TYR A 111 83.342 10.135 9.046 1.00 0.00 H new ATOM 1639 N ASN A 112 89.373 13.418 10.328 1.00 0.00 N ATOM 1640 CA ASN A 112 88.543 14.643 10.514 1.00 0.00 C ATOM 1641 C ASN A 112 87.250 14.529 9.701 1.00 0.00 C ATOM 1642 O ASN A 112 87.253 14.641 8.492 1.00 0.00 O ATOM 1643 CB ASN A 112 89.408 15.792 9.993 1.00 0.00 C ATOM 1644 CG ASN A 112 90.306 16.305 11.121 1.00 0.00 C ATOM 1645 OD1 ASN A 112 89.824 16.775 12.131 1.00 0.00 O ATOM 1646 ND2 ASN A 112 91.603 16.233 10.989 1.00 0.00 N ATOM 0 H ASN A 112 90.174 13.526 9.705 1.00 0.00 H new ATOM 0 HA ASN A 112 88.253 14.794 11.554 1.00 0.00 H new ATOM 0 HB2 ASN A 112 90.017 15.452 9.155 1.00 0.00 H new ATOM 0 HB3 ASN A 112 88.776 16.598 9.622 1.00 0.00 H new ATOM 0 HD21 ASN A 112 92.211 16.572 11.735 1.00 0.00 H new ATOM 0 HD22 ASN A 112 92.008 15.838 10.140 1.00 0.00 H new ATOM 1653 N LYS A 113 86.146 14.296 10.358 1.00 0.00 N ATOM 1654 CA LYS A 113 84.853 14.162 9.627 1.00 0.00 C ATOM 1655 C LYS A 113 84.493 15.468 8.910 1.00 0.00 C ATOM 1656 O LYS A 113 83.687 15.483 8.001 1.00 0.00 O ATOM 1657 CB LYS A 113 83.820 13.843 10.711 1.00 0.00 C ATOM 1658 CG LYS A 113 83.867 14.921 11.797 1.00 0.00 C ATOM 1659 CD LYS A 113 83.687 14.271 13.170 1.00 0.00 C ATOM 1660 CE LYS A 113 84.340 15.150 14.240 1.00 0.00 C ATOM 1661 NZ LYS A 113 83.234 15.502 15.174 1.00 0.00 N ATOM 0 H LYS A 113 86.084 14.193 11.371 1.00 0.00 H new ATOM 0 HA LYS A 113 84.898 13.390 8.859 1.00 0.00 H new ATOM 0 HB2 LYS A 113 82.822 13.795 10.274 1.00 0.00 H new ATOM 0 HB3 LYS A 113 84.025 12.865 11.146 1.00 0.00 H new ATOM 0 HG2 LYS A 113 84.818 15.452 11.756 1.00 0.00 H new ATOM 0 HG3 LYS A 113 83.083 15.658 11.626 1.00 0.00 H new ATOM 0 HD2 LYS A 113 82.627 14.142 13.387 1.00 0.00 H new ATOM 0 HD3 LYS A 113 84.136 13.278 13.176 1.00 0.00 H new ATOM 0 HE2 LYS A 113 85.138 14.617 14.756 1.00 0.00 H new ATOM 0 HE3 LYS A 113 84.785 16.043 13.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 83.603 16.105 15.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 82.492 16.014 14.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 82.834 14.633 15.582 1.00 0.00 H new ATOM 1675 N GLU A 114 85.076 16.564 9.310 1.00 0.00 N ATOM 1676 CA GLU A 114 84.755 17.857 8.650 1.00 0.00 C ATOM 1677 C GLU A 114 85.232 17.844 7.196 1.00 0.00 C ATOM 1678 O GLU A 114 84.745 18.588 6.366 1.00 0.00 O ATOM 1679 CB GLU A 114 85.510 18.916 9.453 1.00 0.00 C ATOM 1680 CG GLU A 114 84.571 20.083 9.764 1.00 0.00 C ATOM 1681 CD GLU A 114 85.381 21.372 9.897 1.00 0.00 C ATOM 1682 OE1 GLU A 114 85.754 21.921 8.874 1.00 0.00 O ATOM 1683 OE2 GLU A 114 85.616 21.788 11.020 1.00 0.00 O ATOM 0 H GLU A 114 85.760 16.619 10.065 1.00 0.00 H new ATOM 0 HA GLU A 114 83.683 18.052 8.630 1.00 0.00 H new ATOM 0 HB2 GLU A 114 85.890 18.484 10.379 1.00 0.00 H new ATOM 0 HB3 GLU A 114 86.373 19.270 8.889 1.00 0.00 H new ATOM 0 HG2 GLU A 114 83.830 20.188 8.972 1.00 0.00 H new ATOM 0 HG3 GLU A 114 84.025 19.888 10.687 1.00 0.00 H new ATOM 1690 N HIS A 115 86.181 17.009 6.882 1.00 0.00 N ATOM 1691 CA HIS A 115 86.689 16.952 5.483 1.00 0.00 C ATOM 1692 C HIS A 115 85.868 15.957 4.662 1.00 0.00 C ATOM 1693 O HIS A 115 86.158 15.699 3.510 1.00 0.00 O ATOM 1694 CB HIS A 115 88.137 16.479 5.612 1.00 0.00 C ATOM 1695 CG HIS A 115 89.026 17.661 5.891 1.00 0.00 C ATOM 1696 ND1 HIS A 115 89.435 18.531 4.892 1.00 0.00 N ATOM 1697 CD2 HIS A 115 89.592 18.131 7.052 1.00 0.00 C ATOM 1698 CE1 HIS A 115 90.211 19.470 5.464 1.00 0.00 C ATOM 1699 NE2 HIS A 115 90.339 19.272 6.779 1.00 0.00 N ATOM 0 H HIS A 115 86.627 16.363 7.533 1.00 0.00 H new ATOM 0 HA HIS A 115 86.617 17.914 4.975 1.00 0.00 H new ATOM 0 HB2 HIS A 115 88.222 15.748 6.416 1.00 0.00 H new ATOM 0 HB3 HIS A 115 88.452 15.982 4.695 1.00 0.00 H new ATOM 0 HD2 HIS A 115 89.475 17.683 8.028 1.00 0.00 H new ATOM 0 HE1 HIS A 115 90.674 20.284 4.926 1.00 0.00 H new ATOM 0 HE2 HIS A 115 90.871 19.837 7.441 1.00 0.00 H new ATOM 1707 N LYS A 116 84.841 15.396 5.242 1.00 0.00 N ATOM 1708 CA LYS A 116 84.001 14.425 4.500 1.00 0.00 C ATOM 1709 C LYS A 116 83.330 15.111 3.307 1.00 0.00 C ATOM 1710 O LYS A 116 82.932 16.257 3.383 1.00 0.00 O ATOM 1711 CB LYS A 116 82.964 13.982 5.525 1.00 0.00 C ATOM 1712 CG LYS A 116 82.530 12.552 5.225 1.00 0.00 C ATOM 1713 CD LYS A 116 81.110 12.327 5.748 1.00 0.00 C ATOM 1714 CE LYS A 116 81.161 11.449 7.001 1.00 0.00 C ATOM 1715 NZ LYS A 116 79.793 11.530 7.583 1.00 0.00 N ATOM 0 H LYS A 116 84.550 15.573 6.204 1.00 0.00 H new ATOM 0 HA LYS A 116 84.570 13.588 4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 116 83.382 14.043 6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 116 82.102 14.648 5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 116 82.567 12.368 4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 116 83.217 11.847 5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 116 80.641 13.283 5.980 1.00 0.00 H new ATOM 0 HD3 LYS A 116 80.500 11.850 4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 116 81.424 10.421 6.752 1.00 0.00 H new ATOM 0 HE3 LYS A 116 81.912 11.809 7.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 79.749 10.953 8.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 79.573 12.519 7.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 79.101 11.175 6.893 1.00 0.00 H new ATOM 1729 N ASN A 117 83.205 14.425 2.204 1.00 0.00 N ATOM 1730 CA ASN A 117 82.563 15.050 1.013 1.00 0.00 C ATOM 1731 C ASN A 117 83.266 16.367 0.682 1.00 0.00 C ATOM 1732 O ASN A 117 82.661 17.421 0.675 1.00 0.00 O ATOM 1733 CB ASN A 117 81.114 15.304 1.433 1.00 0.00 C ATOM 1734 CG ASN A 117 80.565 14.070 2.151 1.00 0.00 C ATOM 1735 OD1 ASN A 117 81.078 12.980 1.988 1.00 0.00 O ATOM 1736 ND2 ASN A 117 79.539 14.195 2.948 1.00 0.00 N ATOM 0 H ASN A 117 83.518 13.463 2.076 1.00 0.00 H new ATOM 0 HA ASN A 117 82.622 14.420 0.125 1.00 0.00 H new ATOM 0 HB2 ASN A 117 81.062 16.173 2.089 1.00 0.00 H new ATOM 0 HB3 ASN A 117 80.505 15.529 0.558 1.00 0.00 H new ATOM 0 HD21 ASN A 117 79.168 13.378 3.434 1.00 0.00 H new ATOM 0 HD22 ASN A 117 79.108 15.109 3.085 1.00 0.00 H new ATOM 1743 N LEU A 118 84.542 16.315 0.414 1.00 0.00 N ATOM 1744 CA LEU A 118 85.292 17.535 0.093 1.00 0.00 C ATOM 1745 C LEU A 118 84.892 18.038 -1.293 1.00 0.00 C ATOM 1746 O LEU A 118 84.212 17.368 -2.045 1.00 0.00 O ATOM 1747 CB LEU A 118 86.745 17.057 0.145 1.00 0.00 C ATOM 1748 CG LEU A 118 87.625 17.838 -0.822 1.00 0.00 C ATOM 1749 CD1 LEU A 118 87.971 19.204 -0.228 1.00 0.00 C ATOM 1750 CD2 LEU A 118 88.915 17.055 -1.076 1.00 0.00 C ATOM 0 H LEU A 118 85.095 15.458 0.407 1.00 0.00 H new ATOM 0 HA LEU A 118 85.110 18.373 0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 118 87.129 17.168 1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 118 86.789 15.995 -0.098 1.00 0.00 H new ATOM 0 HG LEU A 118 87.088 17.981 -1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 118 88.601 19.756 -0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 118 87.054 19.764 -0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 118 88.505 19.067 0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 118 89.548 17.611 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 118 89.445 16.912 -0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 118 88.672 16.084 -1.507 1.00 0.00 H new ATOM 1762 N ASP A 119 85.320 19.211 -1.626 1.00 0.00 N ATOM 1763 CA ASP A 119 84.988 19.789 -2.961 1.00 0.00 C ATOM 1764 C ASP A 119 86.135 19.544 -3.945 1.00 0.00 C ATOM 1765 O ASP A 119 87.251 19.972 -3.729 1.00 0.00 O ATOM 1766 CB ASP A 119 84.805 21.286 -2.712 1.00 0.00 C ATOM 1767 CG ASP A 119 84.111 21.921 -3.918 1.00 0.00 C ATOM 1768 OD1 ASP A 119 83.931 21.229 -4.907 1.00 0.00 O ATOM 1769 OD2 ASP A 119 83.769 23.089 -3.833 1.00 0.00 O ATOM 0 H ASP A 119 85.893 19.808 -1.030 1.00 0.00 H new ATOM 0 HA ASP A 119 84.096 19.337 -3.395 1.00 0.00 H new ATOM 0 HB2 ASP A 119 84.212 21.446 -1.811 1.00 0.00 H new ATOM 0 HB3 ASP A 119 85.773 21.759 -2.545 1.00 0.00 H new ATOM 1774 N LYS A 120 85.870 18.863 -5.025 1.00 0.00 N ATOM 1775 CA LYS A 120 86.945 18.598 -6.017 1.00 0.00 C ATOM 1776 C LYS A 120 87.554 19.917 -6.505 1.00 0.00 C ATOM 1777 O LYS A 120 88.616 19.941 -7.093 1.00 0.00 O ATOM 1778 CB LYS A 120 86.254 17.863 -7.164 1.00 0.00 C ATOM 1779 CG LYS A 120 85.723 16.520 -6.660 1.00 0.00 C ATOM 1780 CD LYS A 120 85.294 15.660 -7.849 1.00 0.00 C ATOM 1781 CE LYS A 120 84.313 16.448 -8.719 1.00 0.00 C ATOM 1782 NZ LYS A 120 85.059 16.729 -9.977 1.00 0.00 N ATOM 0 H LYS A 120 84.955 18.479 -5.262 1.00 0.00 H new ATOM 0 HA LYS A 120 87.762 18.013 -5.595 1.00 0.00 H new ATOM 0 HB2 LYS A 120 85.435 18.466 -7.556 1.00 0.00 H new ATOM 0 HB3 LYS A 120 86.955 17.705 -7.984 1.00 0.00 H new ATOM 0 HG2 LYS A 120 86.493 16.006 -6.085 1.00 0.00 H new ATOM 0 HG3 LYS A 120 84.878 16.680 -5.990 1.00 0.00 H new ATOM 0 HD2 LYS A 120 86.166 15.370 -8.436 1.00 0.00 H new ATOM 0 HD3 LYS A 120 84.827 14.740 -7.497 1.00 0.00 H new ATOM 0 HE2 LYS A 120 83.409 15.872 -8.916 1.00 0.00 H new ATOM 0 HE3 LYS A 120 84.003 17.371 -8.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 84.414 17.147 -10.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 85.834 17.394 -9.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 85.451 15.842 -10.353 1.00 0.00 H new ATOM 1796 N LYS A 121 86.889 21.015 -6.261 1.00 0.00 N ATOM 1797 CA LYS A 121 87.428 22.334 -6.706 1.00 0.00 C ATOM 1798 C LYS A 121 88.775 22.603 -6.048 1.00 0.00 C ATOM 1799 O LYS A 121 89.528 23.463 -6.463 1.00 0.00 O ATOM 1800 CB LYS A 121 86.402 23.356 -6.236 1.00 0.00 C ATOM 1801 CG LYS A 121 85.559 23.801 -7.422 1.00 0.00 C ATOM 1802 CD LYS A 121 84.674 22.643 -7.884 1.00 0.00 C ATOM 1803 CE LYS A 121 83.957 23.033 -9.177 1.00 0.00 C ATOM 1804 NZ LYS A 121 84.843 22.539 -10.269 1.00 0.00 N ATOM 0 H LYS A 121 85.995 21.056 -5.772 1.00 0.00 H new ATOM 0 HA LYS A 121 87.584 22.371 -7.784 1.00 0.00 H new ATOM 0 HB2 LYS A 121 85.766 22.922 -5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 121 86.904 24.214 -5.789 1.00 0.00 H new ATOM 0 HG2 LYS A 121 84.942 24.655 -7.143 1.00 0.00 H new ATOM 0 HG3 LYS A 121 86.204 24.127 -8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 121 85.279 21.751 -8.046 1.00 0.00 H new ATOM 0 HD3 LYS A 121 83.945 22.398 -7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 121 82.968 22.578 -9.234 1.00 0.00 H new ATOM 0 HE3 LYS A 121 83.815 24.112 -9.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 84.419 22.769 -11.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 85.775 22.995 -10.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 84.954 21.508 -10.186 1.00 0.00 H new ATOM 1818 N ASN A 122 89.088 21.853 -5.046 1.00 0.00 N ATOM 1819 CA ASN A 122 90.393 22.017 -4.361 1.00 0.00 C ATOM 1820 C ASN A 122 91.369 21.014 -4.955 1.00 0.00 C ATOM 1821 O ASN A 122 92.557 21.036 -4.703 1.00 0.00 O ATOM 1822 CB ASN A 122 90.113 21.675 -2.905 1.00 0.00 C ATOM 1823 CG ASN A 122 89.729 22.942 -2.140 1.00 0.00 C ATOM 1824 OD1 ASN A 122 90.467 23.908 -2.130 1.00 0.00 O ATOM 1825 ND2 ASN A 122 88.597 22.978 -1.491 1.00 0.00 N ATOM 0 H ASN A 122 88.490 21.121 -4.663 1.00 0.00 H new ATOM 0 HA ASN A 122 90.817 23.016 -4.466 1.00 0.00 H new ATOM 0 HB2 ASN A 122 89.308 20.943 -2.842 1.00 0.00 H new ATOM 0 HB3 ASN A 122 90.994 21.219 -2.453 1.00 0.00 H new ATOM 0 HD21 ASN A 122 88.331 23.817 -0.975 1.00 0.00 H new ATOM 0 HD22 ASN A 122 87.978 22.167 -1.500 1.00 0.00 H new ATOM 1832 N CYS A 123 90.841 20.123 -5.737 1.00 0.00 N ATOM 1833 CA CYS A 123 91.670 19.074 -6.372 1.00 0.00 C ATOM 1834 C CYS A 123 91.874 19.378 -7.860 1.00 0.00 C ATOM 1835 O CYS A 123 91.661 18.484 -8.661 1.00 0.00 O ATOM 1836 CB CYS A 123 90.840 17.809 -6.183 1.00 0.00 C ATOM 1837 SG CYS A 123 91.319 16.988 -4.642 1.00 0.00 S ATOM 1838 OXT CYS A 123 92.240 20.501 -8.170 1.00 0.00 O ATOM 0 H CYS A 123 89.848 20.078 -5.967 1.00 0.00 H new ATOM 0 HA CYS A 123 92.669 18.994 -5.942 1.00 0.00 H new ATOM 0 HB2 CYS A 123 89.779 18.059 -6.158 1.00 0.00 H new ATOM 0 HB3 CYS A 123 90.989 17.135 -7.027 1.00 0.00 H new