USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 885 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 116 LYS NZ :NH3+ -112:sc= 1.1 (180deg=-0.013) USER MOD Set 1.2: A 117 ASN :FLIP amide:sc= 0.242 F(o=-3.1,f=1.3) USER MOD Set 2.1: A 78 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 79 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.041) USER MOD Set 3.1: A 74 SER OG : rot 79:sc= -0.962! USER MOD Set 3.2: A 85 SER OG : rot 54:sc= 0.173 USER MOD Set 3.3: A 88 ASN : amide:sc= -1.23 K(o=-2,f=-3.6!) USER MOD Set 4.1: A 48 HIS : no HD1:sc= -3.63! C(o=-2.9!,f=-11!) USER MOD Set 4.2: A 52 TYR OH : rot -35:sc= 0.753 USER MOD Set 5.1: A 23 ASN : amide:sc= -2.05 K(o=-3.6,f=-6.3!) USER MOD Set 5.2: A 24 ASN : amide:sc= -1.56! C(o=-3.6!,f=-4.2!) USER MOD Set 6.1: A 8 MET CE :methyl -169:sc= -0.0342 (180deg=-0.0959) USER MOD Set 6.2: A 73 TYR OH : rot -120:sc=-0.00449 USER MOD Single : A 1 ALA N :NH3+ -120:sc= 0.0889 (180deg=-0.691) USER MOD Single : A 4 GLN :FLIP amide:sc= -2.18 F(o=-2.8!,f=-2.2) USER MOD Single : A 6 ASN : amide:sc= -2.51! C(o=-2.5!,f=-2.8!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -150:sc= -0.304 (180deg=-0.805) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 150:sc= -0.816 USER MOD Single : A 28 TYR OH : rot 121:sc= 0.352 USER MOD Single : A 34 SER OG : rot 63:sc= 1.17 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0474 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 47 THR OG1 : rot 82:sc= 0.279 USER MOD Single : A 50 ASN : amide:sc= -0.643 K(o=-0.64,f=-2.4!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 56 LYS NZ :NH3+ 147:sc= -0.268 (180deg=-1.66!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 160:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -44:sc= 1.1 USER MOD Single : A 71 ASN : amide:sc= -4.84! C(o=-4.8!,f=-16!) USER MOD Single : A 72 ASN : amide:sc= -0.832 K(o=-0.83,f=-4!) USER MOD Single : A 75 TYR OH : rot 150:sc= -0.676 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.041) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.0815 USER MOD Single : A 89 ASN : amide:sc= -5.22! C(o=-5.2!,f=-18!) USER MOD Single : A 97 ASN : amide:sc= -2.33 K(o=-2.3,f=-5.8!) USER MOD Single : A 101 ASN : amide:sc= -0.0679 K(o=-0.068,f=-2!) USER MOD Single : A 107 SER OG : rot -25: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 :FLIP amide:sc= -1.56 F(o=-2.8!,f=-1.6) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS :FLIP no HD1:sc= -0.192 F(o=-1.3,f=-0.19) USER MOD Single : A 120 LYS NZ :NH3+ 167:sc= -0.0351 (180deg=-0.39) USER MOD Single : A 121 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0868) USER MOD Single : A 122 ASN :FLIP amide:sc= -0.378 F(o=-1.2,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 84.657 -9.265 -4.446 1.00 0.00 N ATOM 2 CA ALA A 1 85.548 -8.414 -5.284 1.00 0.00 C ATOM 3 C ALA A 1 85.681 -7.019 -4.666 1.00 0.00 C ATOM 4 O ALA A 1 86.753 -6.450 -4.621 1.00 0.00 O ATOM 5 CB ALA A 1 84.855 -8.333 -6.644 1.00 0.00 C ATOM 0 H1 ALA A 1 85.184 -10.098 -4.115 1.00 0.00 H new ATOM 0 H2 ALA A 1 84.324 -8.718 -3.627 1.00 0.00 H new ATOM 0 H3 ALA A 1 83.840 -9.574 -5.011 1.00 0.00 H new ATOM 0 HA ALA A 1 86.555 -8.824 -5.364 1.00 0.00 H new ATOM 0 HB1 ALA A 1 85.451 -7.721 -7.320 1.00 0.00 H new ATOM 0 HB2 ALA A 1 84.750 -9.335 -7.059 1.00 0.00 H new ATOM 0 HB3 ALA A 1 83.869 -7.885 -6.524 1.00 0.00 H new ATOM 13 N LEU A 2 84.598 -6.466 -4.191 1.00 0.00 N ATOM 14 CA LEU A 2 84.661 -5.109 -3.576 1.00 0.00 C ATOM 15 C LEU A 2 84.336 -5.187 -2.083 1.00 0.00 C ATOM 16 O LEU A 2 84.916 -4.495 -1.272 1.00 0.00 O ATOM 17 CB LEU A 2 83.599 -4.294 -4.316 1.00 0.00 C ATOM 18 CG LEU A 2 84.236 -3.037 -4.908 1.00 0.00 C ATOM 19 CD1 LEU A 2 83.573 -2.709 -6.246 1.00 0.00 C ATOM 20 CD2 LEU A 2 84.041 -1.866 -3.944 1.00 0.00 C ATOM 0 H LEU A 2 83.673 -6.895 -4.202 1.00 0.00 H new ATOM 0 HA LEU A 2 85.652 -4.662 -3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 2 83.152 -4.895 -5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 2 82.796 -4.019 -3.632 1.00 0.00 H new ATOM 0 HG LEU A 2 85.301 -3.209 -5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 2 84.028 -1.813 -6.667 1.00 0.00 H new ATOM 0 HD12 LEU A 2 83.710 -3.543 -6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 2 82.508 -2.537 -6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 2 84.495 -0.969 -4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 2 82.976 -1.695 -3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 2 84.513 -2.098 -2.989 1.00 0.00 H new ATOM 32 N TRP A 3 83.410 -6.029 -1.714 1.00 0.00 N ATOM 33 CA TRP A 3 83.045 -6.156 -0.274 1.00 0.00 C ATOM 34 C TRP A 3 84.254 -6.617 0.543 1.00 0.00 C ATOM 35 O TRP A 3 84.289 -6.477 1.750 1.00 0.00 O ATOM 36 CB TRP A 3 81.944 -7.216 -0.243 1.00 0.00 C ATOM 37 CG TRP A 3 82.504 -8.521 -0.711 1.00 0.00 C ATOM 38 CD1 TRP A 3 82.576 -8.917 -2.003 1.00 0.00 C ATOM 39 CD2 TRP A 3 83.074 -9.602 0.082 1.00 0.00 C ATOM 40 NE1 TRP A 3 83.153 -10.173 -2.052 1.00 0.00 N ATOM 41 CE2 TRP A 3 83.477 -10.638 -0.794 1.00 0.00 C ATOM 42 CE3 TRP A 3 83.277 -9.784 1.462 1.00 0.00 C ATOM 43 CZ2 TRP A 3 84.061 -11.812 -0.319 1.00 0.00 C ATOM 44 CZ3 TRP A 3 83.865 -10.965 1.944 1.00 0.00 C ATOM 45 CH2 TRP A 3 84.257 -11.976 1.055 1.00 0.00 C ATOM 0 H TRP A 3 82.890 -6.635 -2.348 1.00 0.00 H new ATOM 0 HA TRP A 3 82.717 -5.209 0.155 1.00 0.00 H new ATOM 0 HB2 TRP A 3 81.549 -7.318 0.768 1.00 0.00 H new ATOM 0 HB3 TRP A 3 81.113 -6.913 -0.881 1.00 0.00 H new ATOM 0 HD1 TRP A 3 82.238 -8.346 -2.855 1.00 0.00 H new ATOM 0 HE1 TRP A 3 83.319 -10.693 -2.914 1.00 0.00 H new ATOM 0 HE3 TRP A 3 82.979 -9.011 2.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 84.360 -12.589 -1.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 84.016 -11.095 3.005 1.00 0.00 H new ATOM 0 HH2 TRP A 3 84.710 -12.881 1.432 1.00 0.00 H new ATOM 56 N GLN A 4 85.244 -7.171 -0.102 1.00 0.00 N ATOM 57 CA GLN A 4 86.447 -7.645 0.641 1.00 0.00 C ATOM 58 C GLN A 4 87.185 -6.463 1.275 1.00 0.00 C ATOM 59 O GLN A 4 87.643 -6.536 2.397 1.00 0.00 O ATOM 60 CB GLN A 4 87.325 -8.321 -0.414 1.00 0.00 C ATOM 61 CG GLN A 4 86.482 -9.302 -1.231 1.00 0.00 C ATOM 62 CD GLN A 4 86.974 -10.728 -0.981 1.00 0.00 C ATOM 63 OE1 GLN A 4 87.199 -11.515 -1.997 1.00 0.00 O flip ATOM 64 NE2 GLN A 4 87.156 -11.131 0.151 1.00 0.00 N flip ATOM 0 H GLN A 4 85.272 -7.316 -1.111 1.00 0.00 H new ATOM 0 HA GLN A 4 86.186 -8.325 1.452 1.00 0.00 H new ATOM 0 HB2 GLN A 4 87.766 -7.570 -1.070 1.00 0.00 H new ATOM 0 HB3 GLN A 4 88.149 -8.847 0.067 1.00 0.00 H new ATOM 0 HG2 GLN A 4 85.432 -9.214 -0.953 1.00 0.00 H new ATOM 0 HG3 GLN A 4 86.552 -9.062 -2.292 1.00 0.00 H new ATOM 0 HE21 GLN A 4 86.980 -10.516 0.946 1.00 0.00 H new ATOM 0 HE22 GLN A 4 87.485 -12.084 0.306 1.00 0.00 H new ATOM 73 N PHE A 5 87.306 -5.376 0.564 1.00 0.00 N ATOM 74 CA PHE A 5 88.020 -4.192 1.126 1.00 0.00 C ATOM 75 C PHE A 5 87.338 -3.719 2.415 1.00 0.00 C ATOM 76 O PHE A 5 87.905 -3.786 3.487 1.00 0.00 O ATOM 77 CB PHE A 5 87.926 -3.119 0.043 1.00 0.00 C ATOM 78 CG PHE A 5 88.788 -1.939 0.425 1.00 0.00 C ATOM 79 CD1 PHE A 5 90.050 -2.148 0.995 1.00 0.00 C ATOM 80 CD2 PHE A 5 88.324 -0.635 0.210 1.00 0.00 C ATOM 81 CE1 PHE A 5 90.848 -1.054 1.349 1.00 0.00 C ATOM 82 CE2 PHE A 5 89.123 0.459 0.564 1.00 0.00 C ATOM 83 CZ PHE A 5 90.385 0.250 1.134 1.00 0.00 C ATOM 0 H PHE A 5 86.942 -5.255 -0.381 1.00 0.00 H new ATOM 0 HA PHE A 5 89.054 -4.421 1.383 1.00 0.00 H new ATOM 0 HB2 PHE A 5 88.251 -3.525 -0.915 1.00 0.00 H new ATOM 0 HB3 PHE A 5 86.891 -2.802 -0.080 1.00 0.00 H new ATOM 0 HD1 PHE A 5 90.408 -3.153 1.161 1.00 0.00 H new ATOM 0 HD2 PHE A 5 87.350 -0.473 -0.229 1.00 0.00 H new ATOM 0 HE1 PHE A 5 91.821 -1.216 1.788 1.00 0.00 H new ATOM 0 HE2 PHE A 5 88.766 1.465 0.397 1.00 0.00 H new ATOM 0 HZ PHE A 5 91.001 1.094 1.408 1.00 0.00 H new ATOM 93 N ASN A 6 86.128 -3.238 2.318 1.00 0.00 N ATOM 94 CA ASN A 6 85.418 -2.758 3.540 1.00 0.00 C ATOM 95 C ASN A 6 85.467 -3.823 4.640 1.00 0.00 C ATOM 96 O ASN A 6 85.328 -3.527 5.810 1.00 0.00 O ATOM 97 CB ASN A 6 83.977 -2.514 3.090 1.00 0.00 C ATOM 98 CG ASN A 6 83.810 -1.048 2.685 1.00 0.00 C ATOM 99 OD1 ASN A 6 84.783 -0.344 2.496 1.00 0.00 O ATOM 100 ND2 ASN A 6 82.611 -0.554 2.543 1.00 0.00 N ATOM 0 H ASN A 6 85.601 -3.156 1.448 1.00 0.00 H new ATOM 0 HA ASN A 6 85.874 -1.859 3.954 1.00 0.00 H new ATOM 0 HB2 ASN A 6 83.732 -3.164 2.250 1.00 0.00 H new ATOM 0 HB3 ASN A 6 83.286 -2.761 3.896 1.00 0.00 H new ATOM 0 HD21 ASN A 6 82.490 0.422 2.274 1.00 0.00 H new ATOM 0 HD22 ASN A 6 81.794 -1.144 2.701 1.00 0.00 H new ATOM 107 N GLY A 7 85.659 -5.061 4.275 1.00 0.00 N ATOM 108 CA GLY A 7 85.716 -6.139 5.302 1.00 0.00 C ATOM 109 C GLY A 7 86.984 -5.980 6.143 1.00 0.00 C ATOM 110 O GLY A 7 86.955 -6.085 7.353 1.00 0.00 O ATOM 0 H GLY A 7 85.779 -5.372 3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 7 84.835 -6.092 5.942 1.00 0.00 H new ATOM 0 HA3 GLY A 7 85.708 -7.116 4.819 1.00 0.00 H new ATOM 114 N MET A 8 88.099 -5.725 5.513 1.00 0.00 N ATOM 115 CA MET A 8 89.368 -5.556 6.280 1.00 0.00 C ATOM 116 C MET A 8 89.266 -4.344 7.210 1.00 0.00 C ATOM 117 O MET A 8 89.603 -4.411 8.376 1.00 0.00 O ATOM 118 CB MET A 8 90.445 -5.330 5.218 1.00 0.00 C ATOM 119 CG MET A 8 90.547 -6.567 4.322 1.00 0.00 C ATOM 120 SD MET A 8 91.860 -7.651 4.938 1.00 0.00 S ATOM 121 CE MET A 8 92.497 -8.176 3.328 1.00 0.00 C ATOM 0 H MET A 8 88.187 -5.626 4.502 1.00 0.00 H new ATOM 0 HA MET A 8 89.590 -6.419 6.908 1.00 0.00 H new ATOM 0 HB2 MET A 8 90.201 -4.453 4.619 1.00 0.00 H new ATOM 0 HB3 MET A 8 91.405 -5.133 5.695 1.00 0.00 H new ATOM 0 HG2 MET A 8 89.596 -7.100 4.310 1.00 0.00 H new ATOM 0 HG3 MET A 8 90.758 -6.269 3.295 1.00 0.00 H new ATOM 0 HE1 MET A 8 93.192 -9.004 3.464 1.00 0.00 H new ATOM 0 HE2 MET A 8 91.669 -8.498 2.696 1.00 0.00 H new ATOM 0 HE3 MET A 8 93.014 -7.343 2.852 1.00 0.00 H new ATOM 131 N ILE A 9 88.803 -3.234 6.701 1.00 0.00 N ATOM 132 CA ILE A 9 88.680 -2.018 7.554 1.00 0.00 C ATOM 133 C ILE A 9 87.705 -2.274 8.707 1.00 0.00 C ATOM 134 O ILE A 9 87.858 -1.745 9.790 1.00 0.00 O ATOM 135 CB ILE A 9 88.135 -0.933 6.624 1.00 0.00 C ATOM 136 CG1 ILE A 9 89.107 -0.726 5.458 1.00 0.00 C ATOM 137 CG2 ILE A 9 87.986 0.376 7.400 1.00 0.00 C ATOM 138 CD1 ILE A 9 88.466 0.194 4.418 1.00 0.00 C ATOM 0 H ILE A 9 88.505 -3.117 5.732 1.00 0.00 H new ATOM 0 HA ILE A 9 89.632 -1.732 8.001 1.00 0.00 H new ATOM 0 HB ILE A 9 87.163 -1.240 6.238 1.00 0.00 H new ATOM 0 HG12 ILE A 9 90.038 -0.290 5.820 1.00 0.00 H new ATOM 0 HG13 ILE A 9 89.358 -1.685 5.005 1.00 0.00 H new ATOM 0 HG21 ILE A 9 87.598 1.150 6.737 1.00 0.00 H new ATOM 0 HG22 ILE A 9 87.296 0.230 8.231 1.00 0.00 H new ATOM 0 HG23 ILE A 9 88.958 0.683 7.786 1.00 0.00 H new ATOM 0 HD11 ILE A 9 89.157 0.342 3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 9 87.546 -0.260 4.048 1.00 0.00 H new ATOM 0 HD13 ILE A 9 88.237 1.157 4.875 1.00 0.00 H new ATOM 150 N LYS A 10 86.704 -3.082 8.484 1.00 0.00 N ATOM 151 CA LYS A 10 85.725 -3.368 9.572 1.00 0.00 C ATOM 152 C LYS A 10 86.406 -4.144 10.702 1.00 0.00 C ATOM 153 O LYS A 10 86.047 -4.021 11.856 1.00 0.00 O ATOM 154 CB LYS A 10 84.634 -4.217 8.919 1.00 0.00 C ATOM 155 CG LYS A 10 83.540 -3.303 8.363 1.00 0.00 C ATOM 156 CD LYS A 10 82.686 -2.769 9.516 1.00 0.00 C ATOM 157 CE LYS A 10 81.668 -3.832 9.935 1.00 0.00 C ATOM 158 NZ LYS A 10 80.951 -3.242 11.099 1.00 0.00 N ATOM 0 H LYS A 10 86.522 -3.555 7.599 1.00 0.00 H new ATOM 0 HA LYS A 10 85.319 -2.456 10.010 1.00 0.00 H new ATOM 0 HB2 LYS A 10 85.059 -4.821 8.118 1.00 0.00 H new ATOM 0 HB3 LYS A 10 84.210 -4.907 9.648 1.00 0.00 H new ATOM 0 HG2 LYS A 10 83.988 -2.475 7.814 1.00 0.00 H new ATOM 0 HG3 LYS A 10 82.916 -3.852 7.658 1.00 0.00 H new ATOM 0 HD2 LYS A 10 83.322 -2.506 10.362 1.00 0.00 H new ATOM 0 HD3 LYS A 10 82.171 -1.859 9.209 1.00 0.00 H new ATOM 0 HE2 LYS A 10 80.979 -4.061 9.122 1.00 0.00 H new ATOM 0 HE3 LYS A 10 82.161 -4.765 10.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 80.235 -3.914 11.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 81.631 -3.041 11.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 80.485 -2.359 10.808 1.00 0.00 H new ATOM 172 N CYS A 11 87.388 -4.939 10.379 1.00 0.00 N ATOM 173 CA CYS A 11 88.091 -5.715 11.430 1.00 0.00 C ATOM 174 C CYS A 11 88.823 -4.763 12.370 1.00 0.00 C ATOM 175 O CYS A 11 88.659 -4.805 13.573 1.00 0.00 O ATOM 176 CB CYS A 11 89.087 -6.589 10.675 1.00 0.00 C ATOM 177 SG CYS A 11 90.024 -7.590 11.857 1.00 0.00 S ATOM 0 H CYS A 11 87.732 -5.083 9.430 1.00 0.00 H new ATOM 0 HA CYS A 11 87.409 -6.309 12.038 1.00 0.00 H new ATOM 0 HB2 CYS A 11 88.561 -7.234 9.971 1.00 0.00 H new ATOM 0 HB3 CYS A 11 89.765 -5.966 10.091 1.00 0.00 H new ATOM 182 N LYS A 12 89.629 -3.901 11.821 1.00 0.00 N ATOM 183 CA LYS A 12 90.380 -2.933 12.670 1.00 0.00 C ATOM 184 C LYS A 12 89.402 -2.002 13.393 1.00 0.00 C ATOM 185 O LYS A 12 89.652 -1.558 14.496 1.00 0.00 O ATOM 186 CB LYS A 12 91.249 -2.141 11.694 1.00 0.00 C ATOM 187 CG LYS A 12 92.090 -3.107 10.857 1.00 0.00 C ATOM 188 CD LYS A 12 93.548 -3.044 11.315 1.00 0.00 C ATOM 189 CE LYS A 12 94.139 -4.455 11.337 1.00 0.00 C ATOM 190 NZ LYS A 12 95.227 -4.399 12.353 1.00 0.00 N ATOM 0 H LYS A 12 89.802 -3.823 10.819 1.00 0.00 H new ATOM 0 HA LYS A 12 90.977 -3.429 13.436 1.00 0.00 H new ATOM 0 HB2 LYS A 12 90.621 -1.532 11.044 1.00 0.00 H new ATOM 0 HB3 LYS A 12 91.898 -1.458 12.241 1.00 0.00 H new ATOM 0 HG2 LYS A 12 91.708 -4.123 10.962 1.00 0.00 H new ATOM 0 HG3 LYS A 12 92.018 -2.847 9.801 1.00 0.00 H new ATOM 0 HD2 LYS A 12 94.124 -2.408 10.643 1.00 0.00 H new ATOM 0 HD3 LYS A 12 93.609 -2.597 12.307 1.00 0.00 H new ATOM 0 HE2 LYS A 12 93.385 -5.195 11.606 1.00 0.00 H new ATOM 0 HE3 LYS A 12 94.527 -4.736 10.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 95.974 -5.076 12.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 95.625 -3.439 12.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 94.842 -4.643 13.288 1.00 0.00 H new ATOM 204 N ILE A 13 88.289 -1.706 12.778 1.00 0.00 N ATOM 205 CA ILE A 13 87.291 -0.806 13.424 1.00 0.00 C ATOM 206 C ILE A 13 85.874 -1.343 13.197 1.00 0.00 C ATOM 207 O ILE A 13 85.178 -0.904 12.303 1.00 0.00 O ATOM 208 CB ILE A 13 87.471 0.544 12.728 1.00 0.00 C ATOM 209 CG1 ILE A 13 88.925 0.999 12.868 1.00 0.00 C ATOM 210 CG2 ILE A 13 86.548 1.577 13.375 1.00 0.00 C ATOM 211 CD1 ILE A 13 89.173 2.211 11.967 1.00 0.00 C ATOM 0 H ILE A 13 88.027 -2.050 11.854 1.00 0.00 H new ATOM 0 HA ILE A 13 87.434 -0.732 14.502 1.00 0.00 H new ATOM 0 HB ILE A 13 87.222 0.446 11.672 1.00 0.00 H new ATOM 0 HG12 ILE A 13 89.138 1.255 13.906 1.00 0.00 H new ATOM 0 HG13 ILE A 13 89.599 0.187 12.595 1.00 0.00 H new ATOM 0 HG21 ILE A 13 86.675 2.540 12.880 1.00 0.00 H new ATOM 0 HG22 ILE A 13 85.512 1.252 13.276 1.00 0.00 H new ATOM 0 HG23 ILE A 13 86.797 1.677 14.431 1.00 0.00 H new ATOM 0 HD11 ILE A 13 90.209 2.534 12.068 1.00 0.00 H new ATOM 0 HD12 ILE A 13 88.977 1.939 10.930 1.00 0.00 H new ATOM 0 HD13 ILE A 13 88.509 3.024 12.261 1.00 0.00 H new ATOM 223 N PRO A 14 85.498 -2.285 14.019 1.00 0.00 N ATOM 224 CA PRO A 14 84.154 -2.901 13.909 1.00 0.00 C ATOM 225 C PRO A 14 83.083 -1.974 14.492 1.00 0.00 C ATOM 226 O PRO A 14 81.913 -2.098 14.190 1.00 0.00 O ATOM 227 CB PRO A 14 84.278 -4.170 14.746 1.00 0.00 C ATOM 228 CG PRO A 14 85.373 -3.892 15.728 1.00 0.00 C ATOM 229 CD PRO A 14 86.286 -2.861 15.113 1.00 0.00 C ATOM 0 HA PRO A 14 83.858 -3.095 12.878 1.00 0.00 H new ATOM 0 HB2 PRO A 14 83.342 -4.398 15.255 1.00 0.00 H new ATOM 0 HB3 PRO A 14 84.519 -5.031 14.122 1.00 0.00 H new ATOM 0 HG2 PRO A 14 84.960 -3.526 16.668 1.00 0.00 H new ATOM 0 HG3 PRO A 14 85.924 -4.804 15.956 1.00 0.00 H new ATOM 0 HD2 PRO A 14 86.573 -2.101 15.839 1.00 0.00 H new ATOM 0 HD3 PRO A 14 87.206 -3.314 14.745 1.00 0.00 H new ATOM 237 N SER A 15 83.470 -1.052 15.331 1.00 0.00 N ATOM 238 CA SER A 15 82.467 -0.128 15.935 1.00 0.00 C ATOM 239 C SER A 15 82.103 0.989 14.953 1.00 0.00 C ATOM 240 O SER A 15 81.170 1.737 15.169 1.00 0.00 O ATOM 241 CB SER A 15 83.156 0.450 17.170 1.00 0.00 C ATOM 242 OG SER A 15 84.358 1.099 16.774 1.00 0.00 O ATOM 0 H SER A 15 84.435 -0.898 15.624 1.00 0.00 H new ATOM 0 HA SER A 15 81.538 -0.640 16.185 1.00 0.00 H new ATOM 0 HB2 SER A 15 82.495 1.157 17.672 1.00 0.00 H new ATOM 0 HB3 SER A 15 83.375 -0.344 17.884 1.00 0.00 H new ATOM 0 HG SER A 15 84.803 1.473 17.563 1.00 0.00 H new ATOM 248 N SER A 16 82.832 1.111 13.878 1.00 0.00 N ATOM 249 CA SER A 16 82.522 2.184 12.892 1.00 0.00 C ATOM 250 C SER A 16 82.367 1.591 11.489 1.00 0.00 C ATOM 251 O SER A 16 83.023 0.632 11.133 1.00 0.00 O ATOM 252 CB SER A 16 83.720 3.128 12.945 1.00 0.00 C ATOM 253 OG SER A 16 83.258 4.472 12.979 1.00 0.00 O ATOM 0 H SER A 16 83.626 0.516 13.640 1.00 0.00 H new ATOM 0 HA SER A 16 81.588 2.696 13.122 1.00 0.00 H new ATOM 0 HB2 SER A 16 84.325 2.917 13.827 1.00 0.00 H new ATOM 0 HB3 SER A 16 84.359 2.973 12.075 1.00 0.00 H new ATOM 0 HG SER A 16 84.025 5.081 13.015 1.00 0.00 H new ATOM 259 N GLU A 17 81.505 2.156 10.689 1.00 0.00 N ATOM 260 CA GLU A 17 81.307 1.629 9.309 1.00 0.00 C ATOM 261 C GLU A 17 82.115 2.461 8.308 1.00 0.00 C ATOM 262 O GLU A 17 81.990 3.667 8.263 1.00 0.00 O ATOM 263 CB GLU A 17 79.809 1.778 9.040 1.00 0.00 C ATOM 264 CG GLU A 17 79.032 0.773 9.893 1.00 0.00 C ATOM 265 CD GLU A 17 78.515 1.464 11.156 1.00 0.00 C ATOM 266 OE1 GLU A 17 79.244 2.274 11.705 1.00 0.00 O ATOM 267 OE2 GLU A 17 77.399 1.172 11.552 1.00 0.00 O ATOM 0 H GLU A 17 80.928 2.961 10.932 1.00 0.00 H new ATOM 0 HA GLU A 17 81.639 0.596 9.209 1.00 0.00 H new ATOM 0 HB2 GLU A 17 79.487 2.793 9.272 1.00 0.00 H new ATOM 0 HB3 GLU A 17 79.601 1.611 7.983 1.00 0.00 H new ATOM 0 HG2 GLU A 17 78.198 0.364 9.322 1.00 0.00 H new ATOM 0 HG3 GLU A 17 79.675 -0.065 10.162 1.00 0.00 H new ATOM 274 N PRO A 18 82.918 1.782 7.531 1.00 0.00 N ATOM 275 CA PRO A 18 83.754 2.471 6.518 1.00 0.00 C ATOM 276 C PRO A 18 82.886 2.960 5.354 1.00 0.00 C ATOM 277 O PRO A 18 83.109 4.020 4.803 1.00 0.00 O ATOM 278 CB PRO A 18 84.723 1.387 6.056 1.00 0.00 C ATOM 279 CG PRO A 18 84.021 0.096 6.335 1.00 0.00 C ATOM 280 CD PRO A 18 83.124 0.329 7.525 1.00 0.00 C ATOM 0 HA PRO A 18 84.263 3.352 6.909 1.00 0.00 H new ATOM 0 HB2 PRO A 18 84.954 1.490 4.996 1.00 0.00 H new ATOM 0 HB3 PRO A 18 85.668 1.447 6.595 1.00 0.00 H new ATOM 0 HG2 PRO A 18 83.439 -0.221 5.470 1.00 0.00 H new ATOM 0 HG3 PRO A 18 84.740 -0.696 6.543 1.00 0.00 H new ATOM 0 HD2 PRO A 18 82.181 -0.208 7.426 1.00 0.00 H new ATOM 0 HD3 PRO A 18 83.590 -0.013 8.449 1.00 0.00 H new ATOM 288 N LEU A 19 81.897 2.196 4.977 1.00 0.00 N ATOM 289 CA LEU A 19 81.017 2.620 3.849 1.00 0.00 C ATOM 290 C LEU A 19 80.107 3.769 4.291 1.00 0.00 C ATOM 291 O LEU A 19 79.383 4.339 3.500 1.00 0.00 O ATOM 292 CB LEU A 19 80.187 1.382 3.506 1.00 0.00 C ATOM 293 CG LEU A 19 79.490 0.866 4.765 1.00 0.00 C ATOM 294 CD1 LEU A 19 77.999 0.680 4.484 1.00 0.00 C ATOM 295 CD2 LEU A 19 80.103 -0.476 5.172 1.00 0.00 C ATOM 0 H LEU A 19 81.660 1.298 5.400 1.00 0.00 H new ATOM 0 HA LEU A 19 81.588 2.978 2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 19 79.448 1.627 2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 19 80.829 0.606 3.089 1.00 0.00 H new ATOM 0 HG LEU A 19 79.620 1.586 5.573 1.00 0.00 H new ATOM 0 HD11 LEU A 19 77.503 0.312 5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 19 77.562 1.635 4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 19 77.868 -0.040 3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 19 79.607 -0.845 6.070 1.00 0.00 H new ATOM 0 HD22 LEU A 19 79.973 -1.195 4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 19 81.166 -0.344 5.373 1.00 0.00 H new ATOM 307 N LEU A 20 80.138 4.112 5.550 1.00 0.00 N ATOM 308 CA LEU A 20 79.272 5.223 6.041 1.00 0.00 C ATOM 309 C LEU A 20 80.132 6.369 6.577 1.00 0.00 C ATOM 310 O LEU A 20 79.627 7.394 6.991 1.00 0.00 O ATOM 311 CB LEU A 20 78.440 4.608 7.166 1.00 0.00 C ATOM 312 CG LEU A 20 77.609 3.452 6.612 1.00 0.00 C ATOM 313 CD1 LEU A 20 77.142 2.561 7.763 1.00 0.00 C ATOM 314 CD2 LEU A 20 76.389 4.012 5.876 1.00 0.00 C ATOM 0 H LEU A 20 80.724 3.672 6.259 1.00 0.00 H new ATOM 0 HA LEU A 20 78.647 5.639 5.250 1.00 0.00 H new ATOM 0 HB2 LEU A 20 79.093 4.251 7.962 1.00 0.00 H new ATOM 0 HB3 LEU A 20 77.786 5.363 7.604 1.00 0.00 H new ATOM 0 HG LEU A 20 78.216 2.866 5.922 1.00 0.00 H new ATOM 0 HD11 LEU A 20 76.549 1.736 7.367 1.00 0.00 H new ATOM 0 HD12 LEU A 20 78.009 2.164 8.291 1.00 0.00 H new ATOM 0 HD13 LEU A 20 76.534 3.146 8.453 1.00 0.00 H new ATOM 0 HD21 LEU A 20 75.794 3.189 5.479 1.00 0.00 H new ATOM 0 HD22 LEU A 20 75.783 4.597 6.568 1.00 0.00 H new ATOM 0 HD23 LEU A 20 76.720 4.649 5.056 1.00 0.00 H new ATOM 326 N ASP A 21 81.426 6.205 6.578 1.00 0.00 N ATOM 327 CA ASP A 21 82.311 7.287 7.094 1.00 0.00 C ATOM 328 C ASP A 21 83.498 7.497 6.152 1.00 0.00 C ATOM 329 O ASP A 21 83.613 8.515 5.498 1.00 0.00 O ATOM 330 CB ASP A 21 82.789 6.788 8.457 1.00 0.00 C ATOM 331 CG ASP A 21 81.772 7.178 9.530 1.00 0.00 C ATOM 332 OD1 ASP A 21 81.052 8.139 9.314 1.00 0.00 O ATOM 333 OD2 ASP A 21 81.730 6.510 10.550 1.00 0.00 O ATOM 0 H ASP A 21 81.908 5.370 6.245 1.00 0.00 H new ATOM 0 HA ASP A 21 81.794 8.244 7.167 1.00 0.00 H new ATOM 0 HB2 ASP A 21 82.914 5.705 8.436 1.00 0.00 H new ATOM 0 HB3 ASP A 21 83.763 7.217 8.692 1.00 0.00 H new ATOM 338 N PHE A 22 84.385 6.544 6.079 1.00 0.00 N ATOM 339 CA PHE A 22 85.566 6.690 5.181 1.00 0.00 C ATOM 340 C PHE A 22 85.127 6.685 3.714 1.00 0.00 C ATOM 341 O PHE A 22 85.908 6.950 2.822 1.00 0.00 O ATOM 342 CB PHE A 22 86.444 5.473 5.486 1.00 0.00 C ATOM 343 CG PHE A 22 86.691 5.373 6.977 1.00 0.00 C ATOM 344 CD1 PHE A 22 86.428 6.467 7.815 1.00 0.00 C ATOM 345 CD2 PHE A 22 87.186 4.182 7.521 1.00 0.00 C ATOM 346 CE1 PHE A 22 86.659 6.366 9.192 1.00 0.00 C ATOM 347 CE2 PHE A 22 87.418 4.082 8.898 1.00 0.00 C ATOM 348 CZ PHE A 22 87.154 5.174 9.734 1.00 0.00 C ATOM 0 H PHE A 22 84.344 5.670 6.602 1.00 0.00 H new ATOM 0 HA PHE A 22 86.096 7.629 5.345 1.00 0.00 H new ATOM 0 HB2 PHE A 22 85.959 4.565 5.128 1.00 0.00 H new ATOM 0 HB3 PHE A 22 87.393 5.557 4.957 1.00 0.00 H new ATOM 0 HD1 PHE A 22 86.047 7.387 7.398 1.00 0.00 H new ATOM 0 HD2 PHE A 22 87.389 3.339 6.877 1.00 0.00 H new ATOM 0 HE1 PHE A 22 86.455 7.208 9.837 1.00 0.00 H new ATOM 0 HE2 PHE A 22 87.801 3.162 9.316 1.00 0.00 H new ATOM 0 HZ PHE A 22 87.332 5.097 10.796 1.00 0.00 H new ATOM 358 N ASN A 23 83.884 6.385 3.456 1.00 0.00 N ATOM 359 CA ASN A 23 83.399 6.363 2.045 1.00 0.00 C ATOM 360 C ASN A 23 83.506 7.759 1.423 1.00 0.00 C ATOM 361 O ASN A 23 83.244 8.755 2.066 1.00 0.00 O ATOM 362 CB ASN A 23 81.935 5.933 2.140 1.00 0.00 C ATOM 363 CG ASN A 23 81.123 7.040 2.814 1.00 0.00 C ATOM 364 OD1 ASN A 23 81.099 7.141 4.024 1.00 0.00 O ATOM 365 ND2 ASN A 23 80.452 7.883 2.077 1.00 0.00 N ATOM 0 H ASN A 23 83.183 6.154 4.160 1.00 0.00 H new ATOM 0 HA ASN A 23 83.985 5.691 1.418 1.00 0.00 H new ATOM 0 HB2 ASN A 23 81.539 5.731 1.145 1.00 0.00 H new ATOM 0 HB3 ASN A 23 81.853 5.008 2.710 1.00 0.00 H new ATOM 0 HD21 ASN A 23 79.909 8.625 2.518 1.00 0.00 H new ATOM 0 HD22 ASN A 23 80.471 7.799 1.061 1.00 0.00 H new ATOM 372 N ASN A 24 83.878 7.831 0.171 1.00 0.00 N ATOM 373 CA ASN A 24 83.997 9.147 -0.515 1.00 0.00 C ATOM 374 C ASN A 24 84.556 10.205 0.438 1.00 0.00 C ATOM 375 O ASN A 24 83.820 10.907 1.102 1.00 0.00 O ATOM 376 CB ASN A 24 82.576 9.513 -0.946 1.00 0.00 C ATOM 377 CG ASN A 24 81.777 8.252 -1.294 1.00 0.00 C ATOM 378 OD1 ASN A 24 82.340 7.256 -1.704 1.00 0.00 O ATOM 379 ND2 ASN A 24 80.481 8.254 -1.143 1.00 0.00 N ATOM 0 H ASN A 24 84.106 7.024 -0.409 1.00 0.00 H new ATOM 0 HA ASN A 24 84.679 9.097 -1.364 1.00 0.00 H new ATOM 0 HB2 ASN A 24 82.076 10.058 -0.145 1.00 0.00 H new ATOM 0 HB3 ASN A 24 82.612 10.177 -1.809 1.00 0.00 H new ATOM 0 HD21 ASN A 24 79.940 7.419 -1.369 1.00 0.00 H new ATOM 0 HD22 ASN A 24 80.009 9.090 -0.799 1.00 0.00 H new ATOM 386 N TYR A 25 85.851 10.325 0.508 1.00 0.00 N ATOM 387 CA TYR A 25 86.456 11.340 1.416 1.00 0.00 C ATOM 388 C TYR A 25 87.789 11.829 0.844 1.00 0.00 C ATOM 389 O TYR A 25 88.375 11.200 -0.014 1.00 0.00 O ATOM 390 CB TYR A 25 86.666 10.601 2.741 1.00 0.00 C ATOM 391 CG TYR A 25 87.682 11.336 3.584 1.00 0.00 C ATOM 392 CD1 TYR A 25 89.047 11.089 3.404 1.00 0.00 C ATOM 393 CD2 TYR A 25 87.259 12.262 4.544 1.00 0.00 C ATOM 394 CE1 TYR A 25 89.991 11.767 4.184 1.00 0.00 C ATOM 395 CE2 TYR A 25 88.203 12.941 5.324 1.00 0.00 C ATOM 396 CZ TYR A 25 89.568 12.693 5.144 1.00 0.00 C ATOM 397 OH TYR A 25 90.498 13.363 5.914 1.00 0.00 O ATOM 0 H TYR A 25 86.518 9.765 -0.024 1.00 0.00 H new ATOM 0 HA TYR A 25 85.827 12.222 1.539 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.721 10.525 3.279 1.00 0.00 H new ATOM 0 HB3 TYR A 25 87.007 9.583 2.550 1.00 0.00 H new ATOM 0 HD1 TYR A 25 89.373 10.375 2.663 1.00 0.00 H new ATOM 0 HD2 TYR A 25 86.205 12.453 4.683 1.00 0.00 H new ATOM 0 HE1 TYR A 25 91.045 11.576 4.045 1.00 0.00 H new ATOM 0 HE2 TYR A 25 87.877 13.656 6.065 1.00 0.00 H new ATOM 0 HH TYR A 25 90.148 14.246 6.156 1.00 0.00 H new ATOM 407 N GLY A 26 88.272 12.947 1.312 1.00 0.00 N ATOM 408 CA GLY A 26 89.569 13.470 0.796 1.00 0.00 C ATOM 409 C GLY A 26 89.611 13.335 -0.724 1.00 0.00 C ATOM 410 O GLY A 26 88.604 13.125 -1.370 1.00 0.00 O ATOM 0 H GLY A 26 87.826 13.520 2.028 1.00 0.00 H new ATOM 0 HA2 GLY A 26 89.690 14.515 1.081 1.00 0.00 H new ATOM 0 HA3 GLY A 26 90.397 12.920 1.242 1.00 0.00 H new ATOM 414 N CYS A 27 90.772 13.463 -1.299 1.00 0.00 N ATOM 415 CA CYS A 27 90.893 13.351 -2.782 1.00 0.00 C ATOM 416 C CYS A 27 91.079 11.891 -3.205 1.00 0.00 C ATOM 417 O CYS A 27 90.729 11.507 -4.303 1.00 0.00 O ATOM 418 CB CYS A 27 92.138 14.163 -3.139 1.00 0.00 C ATOM 419 SG CYS A 27 91.988 15.831 -2.455 1.00 0.00 S ATOM 0 H CYS A 27 91.647 13.641 -0.806 1.00 0.00 H new ATOM 0 HA CYS A 27 89.999 13.714 -3.288 1.00 0.00 H new ATOM 0 HB2 CYS A 27 93.029 13.675 -2.744 1.00 0.00 H new ATOM 0 HB3 CYS A 27 92.255 14.212 -4.222 1.00 0.00 H new ATOM 424 N TYR A 28 91.643 11.079 -2.353 1.00 0.00 N ATOM 425 CA TYR A 28 91.866 9.652 -2.726 1.00 0.00 C ATOM 426 C TYR A 28 90.758 8.754 -2.163 1.00 0.00 C ATOM 427 O TYR A 28 90.136 8.002 -2.886 1.00 0.00 O ATOM 428 CB TYR A 28 93.220 9.302 -2.112 1.00 0.00 C ATOM 429 CG TYR A 28 94.286 10.158 -2.755 1.00 0.00 C ATOM 430 CD1 TYR A 28 94.752 9.847 -4.038 1.00 0.00 C ATOM 431 CD2 TYR A 28 94.800 11.267 -2.074 1.00 0.00 C ATOM 432 CE1 TYR A 28 95.733 10.644 -4.639 1.00 0.00 C ATOM 433 CE2 TYR A 28 95.781 12.065 -2.676 1.00 0.00 C ATOM 434 CZ TYR A 28 96.248 11.754 -3.958 1.00 0.00 C ATOM 435 OH TYR A 28 97.213 12.543 -4.551 1.00 0.00 O ATOM 0 H TYR A 28 91.958 11.340 -1.419 1.00 0.00 H new ATOM 0 HA TYR A 28 91.851 9.502 -3.805 1.00 0.00 H new ATOM 0 HB2 TYR A 28 93.200 9.470 -1.035 1.00 0.00 H new ATOM 0 HB3 TYR A 28 93.442 8.246 -2.265 1.00 0.00 H new ATOM 0 HD1 TYR A 28 94.354 8.992 -4.564 1.00 0.00 H new ATOM 0 HD2 TYR A 28 94.440 11.508 -1.084 1.00 0.00 H new ATOM 0 HE1 TYR A 28 96.093 10.403 -5.628 1.00 0.00 H new ATOM 0 HE2 TYR A 28 96.177 12.921 -2.150 1.00 0.00 H new ATOM 0 HH TYR A 28 96.883 13.463 -4.625 1.00 0.00 H new ATOM 445 N CYS A 29 90.507 8.818 -0.883 1.00 0.00 N ATOM 446 CA CYS A 29 89.439 7.955 -0.296 1.00 0.00 C ATOM 447 C CYS A 29 88.149 8.077 -1.113 1.00 0.00 C ATOM 448 O CYS A 29 87.318 8.926 -0.855 1.00 0.00 O ATOM 449 CB CYS A 29 89.224 8.483 1.124 1.00 0.00 C ATOM 450 SG CYS A 29 90.781 8.398 2.042 1.00 0.00 S ATOM 0 H CYS A 29 90.991 9.426 -0.222 1.00 0.00 H new ATOM 0 HA CYS A 29 89.720 6.902 -0.298 1.00 0.00 H new ATOM 0 HB2 CYS A 29 88.865 9.512 1.090 1.00 0.00 H new ATOM 0 HB3 CYS A 29 88.459 7.895 1.630 1.00 0.00 H new ATOM 455 N GLY A 30 87.974 7.234 -2.094 1.00 0.00 N ATOM 456 CA GLY A 30 86.736 7.304 -2.922 1.00 0.00 C ATOM 457 C GLY A 30 87.094 7.138 -4.401 1.00 0.00 C ATOM 458 O GLY A 30 88.174 7.491 -4.833 1.00 0.00 O ATOM 0 H GLY A 30 88.633 6.501 -2.358 1.00 0.00 H new ATOM 0 HA2 GLY A 30 86.038 6.524 -2.617 1.00 0.00 H new ATOM 0 HA3 GLY A 30 86.235 8.259 -2.764 1.00 0.00 H new ATOM 462 N LEU A 31 86.194 6.605 -5.182 1.00 0.00 N ATOM 463 CA LEU A 31 86.481 6.418 -6.635 1.00 0.00 C ATOM 464 C LEU A 31 86.862 7.756 -7.273 1.00 0.00 C ATOM 465 O LEU A 31 87.983 7.955 -7.698 1.00 0.00 O ATOM 466 CB LEU A 31 85.173 5.894 -7.231 1.00 0.00 C ATOM 467 CG LEU A 31 85.468 5.143 -8.529 1.00 0.00 C ATOM 468 CD1 LEU A 31 84.401 4.070 -8.753 1.00 0.00 C ATOM 469 CD2 LEU A 31 85.454 6.128 -9.700 1.00 0.00 C ATOM 0 H LEU A 31 85.272 6.291 -4.878 1.00 0.00 H new ATOM 0 HA LEU A 31 87.312 5.734 -6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 31 84.677 5.233 -6.521 1.00 0.00 H new ATOM 0 HB3 LEU A 31 84.492 6.723 -7.425 1.00 0.00 H new ATOM 0 HG LEU A 31 86.448 4.671 -8.461 1.00 0.00 H new ATOM 0 HD11 LEU A 31 84.612 3.535 -9.679 1.00 0.00 H new ATOM 0 HD12 LEU A 31 84.409 3.369 -7.919 1.00 0.00 H new ATOM 0 HD13 LEU A 31 83.420 4.541 -8.821 1.00 0.00 H new ATOM 0 HD21 LEU A 31 85.664 5.594 -10.627 1.00 0.00 H new ATOM 0 HD22 LEU A 31 84.474 6.600 -9.767 1.00 0.00 H new ATOM 0 HD23 LEU A 31 86.214 6.893 -9.541 1.00 0.00 H new ATOM 481 N GLY A 32 85.938 8.675 -7.342 1.00 0.00 N ATOM 482 CA GLY A 32 86.249 9.997 -7.950 1.00 0.00 C ATOM 483 C GLY A 32 87.270 10.732 -7.080 1.00 0.00 C ATOM 484 O GLY A 32 87.729 10.220 -6.079 1.00 0.00 O ATOM 0 H GLY A 32 84.982 8.566 -7.003 1.00 0.00 H new ATOM 0 HA2 GLY A 32 86.644 9.862 -8.957 1.00 0.00 H new ATOM 0 HA3 GLY A 32 85.339 10.590 -8.041 1.00 0.00 H new ATOM 488 N GLY A 33 87.627 11.931 -7.451 1.00 0.00 N ATOM 489 CA GLY A 33 88.618 12.696 -6.644 1.00 0.00 C ATOM 490 C GLY A 33 90.015 12.506 -7.236 1.00 0.00 C ATOM 491 O GLY A 33 90.307 11.500 -7.852 1.00 0.00 O ATOM 0 H GLY A 33 87.275 12.414 -8.278 1.00 0.00 H new ATOM 0 HA2 GLY A 33 88.356 13.754 -6.635 1.00 0.00 H new ATOM 0 HA3 GLY A 33 88.601 12.355 -5.609 1.00 0.00 H new ATOM 495 N SER A 34 90.880 13.464 -7.055 1.00 0.00 N ATOM 496 CA SER A 34 92.258 13.338 -7.609 1.00 0.00 C ATOM 497 C SER A 34 93.025 14.648 -7.416 1.00 0.00 C ATOM 498 O SER A 34 92.620 15.691 -7.890 1.00 0.00 O ATOM 499 CB SER A 34 92.062 13.044 -9.095 1.00 0.00 C ATOM 500 OG SER A 34 92.260 11.655 -9.329 1.00 0.00 O ATOM 0 H SER A 34 90.693 14.329 -6.548 1.00 0.00 H new ATOM 0 HA SER A 34 92.834 12.557 -7.113 1.00 0.00 H new ATOM 0 HB2 SER A 34 91.060 13.338 -9.407 1.00 0.00 H new ATOM 0 HB3 SER A 34 92.765 13.628 -9.689 1.00 0.00 H new ATOM 0 HG SER A 34 91.582 11.141 -8.842 1.00 0.00 H new ATOM 506 N GLY A 35 94.126 14.602 -6.720 1.00 0.00 N ATOM 507 CA GLY A 35 94.917 15.843 -6.493 1.00 0.00 C ATOM 508 C GLY A 35 95.559 15.789 -5.108 1.00 0.00 C ATOM 509 O GLY A 35 95.365 14.853 -4.359 1.00 0.00 O ATOM 0 H GLY A 35 94.513 13.758 -6.298 1.00 0.00 H new ATOM 0 HA2 GLY A 35 95.686 15.942 -7.259 1.00 0.00 H new ATOM 0 HA3 GLY A 35 94.272 16.718 -6.573 1.00 0.00 H new ATOM 513 N THR A 36 96.325 16.785 -4.760 1.00 0.00 N ATOM 514 CA THR A 36 96.980 16.788 -3.421 1.00 0.00 C ATOM 515 C THR A 36 95.989 16.329 -2.348 1.00 0.00 C ATOM 516 O THR A 36 94.828 16.687 -2.379 1.00 0.00 O ATOM 517 CB THR A 36 97.394 18.241 -3.186 1.00 0.00 C ATOM 518 OG1 THR A 36 98.094 18.720 -4.326 1.00 0.00 O ATOM 519 CG2 THR A 36 98.298 18.325 -1.957 1.00 0.00 C ATOM 0 H THR A 36 96.526 17.597 -5.344 1.00 0.00 H new ATOM 0 HA THR A 36 97.833 16.110 -3.375 1.00 0.00 H new ATOM 0 HB THR A 36 96.506 18.851 -3.020 1.00 0.00 H new ATOM 0 HG1 THR A 36 98.359 19.652 -4.179 1.00 0.00 H new ATOM 0 HG21 THR A 36 98.592 19.362 -1.792 1.00 0.00 H new ATOM 0 HG22 THR A 36 97.760 17.957 -1.084 1.00 0.00 H new ATOM 0 HG23 THR A 36 99.188 17.717 -2.118 1.00 0.00 H new ATOM 527 N PRO A 37 96.488 15.549 -1.429 1.00 0.00 N ATOM 528 CA PRO A 37 95.642 15.028 -0.325 1.00 0.00 C ATOM 529 C PRO A 37 95.257 16.162 0.630 1.00 0.00 C ATOM 530 O PRO A 37 95.714 17.279 0.496 1.00 0.00 O ATOM 531 CB PRO A 37 96.542 14.005 0.362 1.00 0.00 C ATOM 532 CG PRO A 37 97.935 14.434 0.030 1.00 0.00 C ATOM 533 CD PRO A 37 97.875 15.082 -1.328 1.00 0.00 C ATOM 0 HA PRO A 37 94.703 14.593 -0.667 1.00 0.00 H new ATOM 0 HB2 PRO A 37 96.378 13.995 1.440 1.00 0.00 H new ATOM 0 HB3 PRO A 37 96.342 12.997 -0.000 1.00 0.00 H new ATOM 0 HG2 PRO A 37 98.313 15.133 0.776 1.00 0.00 H new ATOM 0 HG3 PRO A 37 98.612 13.580 0.022 1.00 0.00 H new ATOM 0 HD2 PRO A 37 98.582 15.907 -1.410 1.00 0.00 H new ATOM 0 HD3 PRO A 37 98.118 14.374 -2.121 1.00 0.00 H new ATOM 541 N VAL A 38 94.414 15.887 1.587 1.00 0.00 N ATOM 542 CA VAL A 38 93.997 16.957 2.539 1.00 0.00 C ATOM 543 C VAL A 38 94.366 16.582 3.978 1.00 0.00 C ATOM 544 O VAL A 38 94.853 17.400 4.733 1.00 0.00 O ATOM 545 CB VAL A 38 92.479 17.054 2.383 1.00 0.00 C ATOM 546 CG1 VAL A 38 92.121 17.119 0.897 1.00 0.00 C ATOM 547 CG2 VAL A 38 91.822 15.824 3.010 1.00 0.00 C ATOM 0 H VAL A 38 93.997 14.971 1.751 1.00 0.00 H new ATOM 0 HA VAL A 38 94.495 17.904 2.329 1.00 0.00 H new ATOM 0 HB VAL A 38 92.120 17.954 2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 38 91.039 17.188 0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 38 92.588 17.995 0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 38 92.480 16.220 0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 38 90.740 15.893 2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 38 92.181 14.925 2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 38 92.076 15.776 4.069 1.00 0.00 H new ATOM 557 N ASP A 39 94.135 15.358 4.369 1.00 0.00 N ATOM 558 CA ASP A 39 94.471 14.952 5.765 1.00 0.00 C ATOM 559 C ASP A 39 95.273 13.648 5.769 1.00 0.00 C ATOM 560 O ASP A 39 95.579 13.092 4.733 1.00 0.00 O ATOM 561 CB ASP A 39 93.120 14.754 6.452 1.00 0.00 C ATOM 562 CG ASP A 39 93.295 14.869 7.967 1.00 0.00 C ATOM 563 OD1 ASP A 39 93.775 13.918 8.562 1.00 0.00 O ATOM 564 OD2 ASP A 39 92.948 15.907 8.506 1.00 0.00 O ATOM 0 H ASP A 39 93.731 14.625 3.786 1.00 0.00 H new ATOM 0 HA ASP A 39 95.085 15.696 6.272 1.00 0.00 H new ATOM 0 HB2 ASP A 39 92.408 15.501 6.100 1.00 0.00 H new ATOM 0 HB3 ASP A 39 92.710 13.777 6.196 1.00 0.00 H new ATOM 569 N ASP A 40 95.614 13.158 6.931 1.00 0.00 N ATOM 570 CA ASP A 40 96.395 11.891 7.007 1.00 0.00 C ATOM 571 C ASP A 40 95.555 10.720 6.489 1.00 0.00 C ATOM 572 O ASP A 40 96.037 9.871 5.767 1.00 0.00 O ATOM 573 CB ASP A 40 96.711 11.710 8.492 1.00 0.00 C ATOM 574 CG ASP A 40 97.822 12.678 8.900 1.00 0.00 C ATOM 575 OD1 ASP A 40 98.977 12.337 8.710 1.00 0.00 O ATOM 576 OD2 ASP A 40 97.499 13.745 9.396 1.00 0.00 O ATOM 0 H ASP A 40 95.385 13.581 7.830 1.00 0.00 H new ATOM 0 HA ASP A 40 97.299 11.925 6.399 1.00 0.00 H new ATOM 0 HB2 ASP A 40 95.818 11.893 9.089 1.00 0.00 H new ATOM 0 HB3 ASP A 40 97.020 10.683 8.686 1.00 0.00 H new ATOM 581 N LEU A 41 94.300 10.669 6.844 1.00 0.00 N ATOM 582 CA LEU A 41 93.444 9.552 6.355 1.00 0.00 C ATOM 583 C LEU A 41 93.460 9.529 4.825 1.00 0.00 C ATOM 584 O LEU A 41 93.600 8.490 4.209 1.00 0.00 O ATOM 585 CB LEU A 41 92.041 9.862 6.879 1.00 0.00 C ATOM 586 CG LEU A 41 91.179 8.601 6.806 1.00 0.00 C ATOM 587 CD1 LEU A 41 91.911 7.439 7.478 1.00 0.00 C ATOM 588 CD2 LEU A 41 89.854 8.846 7.527 1.00 0.00 C ATOM 0 H LEU A 41 93.834 11.347 7.447 1.00 0.00 H new ATOM 0 HA LEU A 41 93.790 8.577 6.697 1.00 0.00 H new ATOM 0 HB2 LEU A 41 92.096 10.219 7.908 1.00 0.00 H new ATOM 0 HB3 LEU A 41 91.589 10.659 6.289 1.00 0.00 H new ATOM 0 HG LEU A 41 90.988 8.356 5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 41 91.295 6.541 7.425 1.00 0.00 H new ATOM 0 HD12 LEU A 41 92.857 7.261 6.967 1.00 0.00 H new ATOM 0 HD13 LEU A 41 92.104 7.685 8.522 1.00 0.00 H new ATOM 0 HD21 LEU A 41 89.240 7.947 7.475 1.00 0.00 H new ATOM 0 HD22 LEU A 41 90.048 9.093 8.571 1.00 0.00 H new ATOM 0 HD23 LEU A 41 89.328 9.673 7.050 1.00 0.00 H new ATOM 600 N ASP A 42 93.334 10.673 4.210 1.00 0.00 N ATOM 601 CA ASP A 42 93.360 10.725 2.722 1.00 0.00 C ATOM 602 C ASP A 42 94.701 10.195 2.216 1.00 0.00 C ATOM 603 O ASP A 42 94.770 9.473 1.242 1.00 0.00 O ATOM 604 CB ASP A 42 93.199 12.205 2.374 1.00 0.00 C ATOM 605 CG ASP A 42 92.840 12.348 0.894 1.00 0.00 C ATOM 606 OD1 ASP A 42 92.014 11.581 0.428 1.00 0.00 O ATOM 607 OD2 ASP A 42 93.397 13.222 0.251 1.00 0.00 O ATOM 0 H ASP A 42 93.214 11.573 4.674 1.00 0.00 H new ATOM 0 HA ASP A 42 92.578 10.118 2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 42 92.420 12.652 2.992 1.00 0.00 H new ATOM 0 HB3 ASP A 42 94.123 12.742 2.588 1.00 0.00 H new ATOM 612 N ARG A 43 95.768 10.544 2.881 1.00 0.00 N ATOM 613 CA ARG A 43 97.107 10.056 2.454 1.00 0.00 C ATOM 614 C ARG A 43 97.099 8.532 2.384 1.00 0.00 C ATOM 615 O ARG A 43 97.706 7.932 1.519 1.00 0.00 O ATOM 616 CB ARG A 43 98.061 10.533 3.546 1.00 0.00 C ATOM 617 CG ARG A 43 98.495 11.964 3.248 1.00 0.00 C ATOM 618 CD ARG A 43 99.976 11.978 2.874 1.00 0.00 C ATOM 619 NE ARG A 43 100.135 10.905 1.864 1.00 0.00 N ATOM 620 CZ ARG A 43 101.266 10.769 1.226 1.00 0.00 C ATOM 621 NH1 ARG A 43 102.206 10.009 1.719 1.00 0.00 N ATOM 622 NH2 ARG A 43 101.455 11.390 0.094 1.00 0.00 N ATOM 0 H ARG A 43 95.769 11.147 3.703 1.00 0.00 H new ATOM 0 HA ARG A 43 97.395 10.425 1.470 1.00 0.00 H new ATOM 0 HB2 ARG A 43 97.572 10.485 4.519 1.00 0.00 H new ATOM 0 HB3 ARG A 43 98.932 9.879 3.595 1.00 0.00 H new ATOM 0 HG2 ARG A 43 97.899 12.374 2.433 1.00 0.00 H new ATOM 0 HG3 ARG A 43 98.323 12.597 4.119 1.00 0.00 H new ATOM 0 HD2 ARG A 43 100.270 12.946 2.469 1.00 0.00 H new ATOM 0 HD3 ARG A 43 100.604 11.793 3.746 1.00 0.00 H new ATOM 0 HE ARG A 43 99.360 10.272 1.667 1.00 0.00 H new ATOM 0 HH11 ARG A 43 102.057 9.522 2.602 1.00 0.00 H new ATOM 0 HH12 ARG A 43 103.090 9.903 1.221 1.00 0.00 H new ATOM 0 HH21 ARG A 43 100.719 11.982 -0.292 1.00 0.00 H new ATOM 0 HH22 ARG A 43 102.338 11.284 -0.405 1.00 0.00 H new ATOM 636 N CYS A 44 96.416 7.905 3.297 1.00 0.00 N ATOM 637 CA CYS A 44 96.362 6.424 3.299 1.00 0.00 C ATOM 638 C CYS A 44 95.709 5.920 2.010 1.00 0.00 C ATOM 639 O CYS A 44 96.148 4.958 1.412 1.00 0.00 O ATOM 640 CB CYS A 44 95.504 6.062 4.511 1.00 0.00 C ATOM 641 SG CYS A 44 96.299 6.667 6.020 1.00 0.00 S ATOM 0 H CYS A 44 95.891 8.359 4.045 1.00 0.00 H new ATOM 0 HA CYS A 44 97.353 5.973 3.352 1.00 0.00 H new ATOM 0 HB2 CYS A 44 94.511 6.500 4.410 1.00 0.00 H new ATOM 0 HB3 CYS A 44 95.372 4.981 4.566 1.00 0.00 H new ATOM 646 N CYS A 45 94.661 6.567 1.578 1.00 0.00 N ATOM 647 CA CYS A 45 93.979 6.128 0.327 1.00 0.00 C ATOM 648 C CYS A 45 94.909 6.314 -0.872 1.00 0.00 C ATOM 649 O CYS A 45 95.018 5.453 -1.723 1.00 0.00 O ATOM 650 CB CYS A 45 92.755 7.034 0.203 1.00 0.00 C ATOM 651 SG CYS A 45 91.573 6.619 1.508 1.00 0.00 S ATOM 0 H CYS A 45 94.248 7.379 2.036 1.00 0.00 H new ATOM 0 HA CYS A 45 93.703 5.074 0.355 1.00 0.00 H new ATOM 0 HB2 CYS A 45 93.052 8.080 0.284 1.00 0.00 H new ATOM 0 HB3 CYS A 45 92.293 6.909 -0.776 1.00 0.00 H new ATOM 656 N GLN A 46 95.592 7.423 -0.941 1.00 0.00 N ATOM 657 CA GLN A 46 96.522 7.643 -2.081 1.00 0.00 C ATOM 658 C GLN A 46 97.492 6.467 -2.167 1.00 0.00 C ATOM 659 O GLN A 46 97.803 5.975 -3.233 1.00 0.00 O ATOM 660 CB GLN A 46 97.268 8.932 -1.750 1.00 0.00 C ATOM 661 CG GLN A 46 98.337 9.186 -2.813 1.00 0.00 C ATOM 662 CD GLN A 46 99.084 10.474 -2.492 1.00 0.00 C ATOM 663 OE1 GLN A 46 98.782 11.143 -1.524 1.00 0.00 O ATOM 664 NE2 GLN A 46 100.053 10.852 -3.273 1.00 0.00 N ATOM 0 H GLN A 46 95.546 8.182 -0.261 1.00 0.00 H new ATOM 0 HA GLN A 46 96.007 7.719 -3.038 1.00 0.00 H new ATOM 0 HB2 GLN A 46 96.571 9.769 -1.712 1.00 0.00 H new ATOM 0 HB3 GLN A 46 97.729 8.856 -0.765 1.00 0.00 H new ATOM 0 HG2 GLN A 46 99.034 8.349 -2.849 1.00 0.00 H new ATOM 0 HG3 GLN A 46 97.875 9.258 -3.798 1.00 0.00 H new ATOM 0 HE21 GLN A 46 100.304 10.287 -4.085 1.00 0.00 H new ATOM 0 HE22 GLN A 46 100.562 11.713 -3.074 1.00 0.00 H new ATOM 673 N THR A 47 97.962 6.010 -1.042 1.00 0.00 N ATOM 674 CA THR A 47 98.900 4.861 -1.038 1.00 0.00 C ATOM 675 C THR A 47 98.188 3.614 -1.564 1.00 0.00 C ATOM 676 O THR A 47 98.786 2.757 -2.184 1.00 0.00 O ATOM 677 CB THR A 47 99.298 4.677 0.426 1.00 0.00 C ATOM 678 OG1 THR A 47 99.917 5.865 0.901 1.00 0.00 O ATOM 679 CG2 THR A 47 100.275 3.506 0.547 1.00 0.00 C ATOM 0 H THR A 47 97.734 6.386 -0.122 1.00 0.00 H new ATOM 0 HA THR A 47 99.770 5.028 -1.673 1.00 0.00 H new ATOM 0 HB THR A 47 98.409 4.469 1.021 1.00 0.00 H new ATOM 0 HG1 THR A 47 99.228 6.511 1.161 1.00 0.00 H new ATOM 0 HG21 THR A 47 100.559 3.375 1.591 1.00 0.00 H new ATOM 0 HG22 THR A 47 99.798 2.596 0.184 1.00 0.00 H new ATOM 0 HG23 THR A 47 101.165 3.712 -0.048 1.00 0.00 H new ATOM 687 N HIS A 48 96.907 3.517 -1.331 1.00 0.00 N ATOM 688 CA HIS A 48 96.145 2.338 -1.828 1.00 0.00 C ATOM 689 C HIS A 48 96.066 2.402 -3.350 1.00 0.00 C ATOM 690 O HIS A 48 96.450 1.482 -4.044 1.00 0.00 O ATOM 691 CB HIS A 48 94.752 2.473 -1.212 1.00 0.00 C ATOM 692 CG HIS A 48 93.912 1.290 -1.607 1.00 0.00 C ATOM 693 ND1 HIS A 48 92.649 1.435 -2.160 1.00 0.00 N ATOM 694 CD2 HIS A 48 94.137 -0.062 -1.535 1.00 0.00 C ATOM 695 CE1 HIS A 48 92.167 0.201 -2.398 1.00 0.00 C ATOM 696 NE2 HIS A 48 93.034 -0.748 -2.036 1.00 0.00 N ATOM 0 H HIS A 48 96.356 4.204 -0.817 1.00 0.00 H new ATOM 0 HA HIS A 48 96.609 1.389 -1.559 1.00 0.00 H new ATOM 0 HB2 HIS A 48 94.827 2.533 -0.126 1.00 0.00 H new ATOM 0 HB3 HIS A 48 94.281 3.396 -1.550 1.00 0.00 H new ATOM 0 HD2 HIS A 48 95.034 -0.524 -1.148 1.00 0.00 H new ATOM 0 HE1 HIS A 48 91.197 0.002 -2.829 1.00 0.00 H new ATOM 0 HE2 HIS A 48 92.914 -1.758 -2.111 1.00 0.00 H new ATOM 704 N ASP A 49 95.589 3.496 -3.870 1.00 0.00 N ATOM 705 CA ASP A 49 95.502 3.640 -5.342 1.00 0.00 C ATOM 706 C ASP A 49 96.891 3.434 -5.941 1.00 0.00 C ATOM 707 O ASP A 49 97.068 2.724 -6.911 1.00 0.00 O ATOM 708 CB ASP A 49 95.019 5.071 -5.568 1.00 0.00 C ATOM 709 CG ASP A 49 93.619 5.235 -4.975 1.00 0.00 C ATOM 710 OD1 ASP A 49 93.237 4.404 -4.168 1.00 0.00 O ATOM 711 OD2 ASP A 49 92.951 6.190 -5.337 1.00 0.00 O ATOM 0 H ASP A 49 95.255 4.298 -3.335 1.00 0.00 H new ATOM 0 HA ASP A 49 94.832 2.916 -5.807 1.00 0.00 H new ATOM 0 HB2 ASP A 49 95.708 5.777 -5.103 1.00 0.00 H new ATOM 0 HB3 ASP A 49 95.003 5.297 -6.634 1.00 0.00 H new ATOM 716 N ASN A 50 97.880 4.048 -5.352 1.00 0.00 N ATOM 717 CA ASN A 50 99.268 3.893 -5.857 1.00 0.00 C ATOM 718 C ASN A 50 99.681 2.422 -5.784 1.00 0.00 C ATOM 719 O ASN A 50 100.493 1.954 -6.557 1.00 0.00 O ATOM 720 CB ASN A 50 100.124 4.743 -4.916 1.00 0.00 C ATOM 721 CG ASN A 50 100.136 6.191 -5.406 1.00 0.00 C ATOM 722 OD1 ASN A 50 99.916 6.452 -6.573 1.00 0.00 O ATOM 723 ND2 ASN A 50 100.387 7.152 -4.559 1.00 0.00 N ATOM 0 H ASN A 50 97.783 4.654 -4.537 1.00 0.00 H new ATOM 0 HA ASN A 50 99.377 4.205 -6.896 1.00 0.00 H new ATOM 0 HB2 ASN A 50 99.727 4.694 -3.902 1.00 0.00 H new ATOM 0 HB3 ASN A 50 101.141 4.352 -4.879 1.00 0.00 H new ATOM 0 HD21 ASN A 50 100.398 8.121 -4.876 1.00 0.00 H new ATOM 0 HD22 ASN A 50 100.572 6.934 -3.580 1.00 0.00 H new ATOM 730 N CYS A 51 99.120 1.690 -4.860 1.00 0.00 N ATOM 731 CA CYS A 51 99.470 0.247 -4.737 1.00 0.00 C ATOM 732 C CYS A 51 98.801 -0.542 -5.866 1.00 0.00 C ATOM 733 O CYS A 51 99.374 -1.457 -6.422 1.00 0.00 O ATOM 734 CB CYS A 51 98.918 -0.182 -3.377 1.00 0.00 C ATOM 735 SG CYS A 51 99.772 -1.680 -2.823 1.00 0.00 S ATOM 0 H CYS A 51 98.434 2.029 -4.185 1.00 0.00 H new ATOM 0 HA CYS A 51 100.543 0.068 -4.809 1.00 0.00 H new ATOM 0 HB2 CYS A 51 99.054 0.617 -2.649 1.00 0.00 H new ATOM 0 HB3 CYS A 51 97.846 -0.367 -3.450 1.00 0.00 H new ATOM 740 N TYR A 52 97.593 -0.185 -6.215 1.00 0.00 N ATOM 741 CA TYR A 52 96.891 -0.906 -7.316 1.00 0.00 C ATOM 742 C TYR A 52 97.645 -0.708 -8.632 1.00 0.00 C ATOM 743 O TYR A 52 97.545 -1.506 -9.543 1.00 0.00 O ATOM 744 CB TYR A 52 95.502 -0.268 -7.392 1.00 0.00 C ATOM 745 CG TYR A 52 94.549 -1.019 -6.491 1.00 0.00 C ATOM 746 CD1 TYR A 52 94.884 -1.248 -5.151 1.00 0.00 C ATOM 747 CD2 TYR A 52 93.330 -1.485 -6.997 1.00 0.00 C ATOM 748 CE1 TYR A 52 93.999 -1.942 -4.317 1.00 0.00 C ATOM 749 CE2 TYR A 52 92.445 -2.180 -6.163 1.00 0.00 C ATOM 750 CZ TYR A 52 92.780 -2.408 -4.823 1.00 0.00 C ATOM 751 OH TYR A 52 91.906 -3.092 -4.002 1.00 0.00 O ATOM 0 H TYR A 52 97.063 0.574 -5.786 1.00 0.00 H new ATOM 0 HA TYR A 52 96.833 -1.980 -7.137 1.00 0.00 H new ATOM 0 HB2 TYR A 52 95.554 0.778 -7.091 1.00 0.00 H new ATOM 0 HB3 TYR A 52 95.138 -0.286 -8.419 1.00 0.00 H new ATOM 0 HD1 TYR A 52 95.825 -0.889 -4.761 1.00 0.00 H new ATOM 0 HD2 TYR A 52 93.072 -1.309 -8.031 1.00 0.00 H new ATOM 0 HE1 TYR A 52 94.257 -2.118 -3.283 1.00 0.00 H new ATOM 0 HE2 TYR A 52 91.505 -2.540 -6.554 1.00 0.00 H new ATOM 0 HH TYR A 52 92.414 -3.638 -3.366 1.00 0.00 H new ATOM 761 N LYS A 53 98.412 0.343 -8.730 1.00 0.00 N ATOM 762 CA LYS A 53 99.189 0.586 -9.981 1.00 0.00 C ATOM 763 C LYS A 53 100.381 -0.355 -9.987 1.00 0.00 C ATOM 764 O LYS A 53 100.564 -1.160 -10.879 1.00 0.00 O ATOM 765 CB LYS A 53 99.685 2.038 -9.908 1.00 0.00 C ATOM 766 CG LYS A 53 98.622 2.941 -9.288 1.00 0.00 C ATOM 767 CD LYS A 53 98.114 3.931 -10.339 1.00 0.00 C ATOM 768 CE LYS A 53 96.808 3.411 -10.942 1.00 0.00 C ATOM 769 NZ LYS A 53 96.242 4.568 -11.689 1.00 0.00 N ATOM 0 H LYS A 53 98.535 1.044 -7.999 1.00 0.00 H new ATOM 0 HA LYS A 53 98.592 0.420 -10.878 1.00 0.00 H new ATOM 0 HB2 LYS A 53 100.600 2.086 -9.317 1.00 0.00 H new ATOM 0 HB3 LYS A 53 99.933 2.394 -10.908 1.00 0.00 H new ATOM 0 HG2 LYS A 53 97.795 2.340 -8.910 1.00 0.00 H new ATOM 0 HG3 LYS A 53 99.039 3.480 -8.437 1.00 0.00 H new ATOM 0 HD2 LYS A 53 97.953 4.909 -9.885 1.00 0.00 H new ATOM 0 HD3 LYS A 53 98.861 4.062 -11.122 1.00 0.00 H new ATOM 0 HE2 LYS A 53 96.988 2.564 -11.604 1.00 0.00 H new ATOM 0 HE3 LYS A 53 96.123 3.069 -10.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 95.343 4.289 -12.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 96.074 5.357 -11.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 96.913 4.867 -12.426 1.00 0.00 H new ATOM 783 N GLN A 54 101.184 -0.255 -8.973 1.00 0.00 N ATOM 784 CA GLN A 54 102.373 -1.138 -8.867 1.00 0.00 C ATOM 785 C GLN A 54 101.936 -2.594 -9.012 1.00 0.00 C ATOM 786 O GLN A 54 102.647 -3.422 -9.547 1.00 0.00 O ATOM 787 CB GLN A 54 102.930 -0.887 -7.468 1.00 0.00 C ATOM 788 CG GLN A 54 103.727 0.419 -7.459 1.00 0.00 C ATOM 789 CD GLN A 54 104.643 0.450 -6.235 1.00 0.00 C ATOM 790 OE1 GLN A 54 104.237 0.093 -5.148 1.00 0.00 O ATOM 791 NE2 GLN A 54 105.875 0.862 -6.367 1.00 0.00 N ATOM 0 H GLN A 54 101.068 0.406 -8.205 1.00 0.00 H new ATOM 0 HA GLN A 54 103.116 -0.938 -9.639 1.00 0.00 H new ATOM 0 HB2 GLN A 54 102.115 -0.833 -6.746 1.00 0.00 H new ATOM 0 HB3 GLN A 54 103.569 -1.717 -7.166 1.00 0.00 H new ATOM 0 HG2 GLN A 54 104.318 0.503 -8.371 1.00 0.00 H new ATOM 0 HG3 GLN A 54 103.048 1.271 -7.440 1.00 0.00 H new ATOM 0 HE21 GLN A 54 106.217 1.162 -7.280 1.00 0.00 H new ATOM 0 HE22 GLN A 54 106.495 0.884 -5.557 1.00 0.00 H new ATOM 800 N ALA A 55 100.762 -2.906 -8.537 1.00 0.00 N ATOM 801 CA ALA A 55 100.258 -4.304 -8.642 1.00 0.00 C ATOM 802 C ALA A 55 100.111 -4.693 -10.113 1.00 0.00 C ATOM 803 O ALA A 55 100.492 -5.770 -10.524 1.00 0.00 O ATOM 804 CB ALA A 55 98.893 -4.287 -7.953 1.00 0.00 C ATOM 0 H ALA A 55 100.128 -2.251 -8.079 1.00 0.00 H new ATOM 0 HA ALA A 55 100.934 -5.026 -8.184 1.00 0.00 H new ATOM 0 HB1 ALA A 55 98.455 -5.284 -7.989 1.00 0.00 H new ATOM 0 HB2 ALA A 55 99.014 -3.981 -6.914 1.00 0.00 H new ATOM 0 HB3 ALA A 55 98.236 -3.584 -8.465 1.00 0.00 H new ATOM 810 N LYS A 56 99.564 -3.819 -10.912 1.00 0.00 N ATOM 811 CA LYS A 56 99.399 -4.137 -12.357 1.00 0.00 C ATOM 812 C LYS A 56 100.771 -4.345 -13.006 1.00 0.00 C ATOM 813 O LYS A 56 100.956 -5.228 -13.821 1.00 0.00 O ATOM 814 CB LYS A 56 98.706 -2.913 -12.955 1.00 0.00 C ATOM 815 CG LYS A 56 97.280 -2.813 -12.407 1.00 0.00 C ATOM 816 CD LYS A 56 96.800 -1.363 -12.490 1.00 0.00 C ATOM 817 CE LYS A 56 96.295 -1.072 -13.905 1.00 0.00 C ATOM 818 NZ LYS A 56 95.092 -1.935 -14.068 1.00 0.00 N ATOM 0 H LYS A 56 99.225 -2.900 -10.627 1.00 0.00 H new ATOM 0 HA LYS A 56 98.825 -5.049 -12.519 1.00 0.00 H new ATOM 0 HB2 LYS A 56 99.265 -2.010 -12.710 1.00 0.00 H new ATOM 0 HB3 LYS A 56 98.684 -2.989 -14.042 1.00 0.00 H new ATOM 0 HG2 LYS A 56 96.614 -3.461 -12.977 1.00 0.00 H new ATOM 0 HG3 LYS A 56 97.252 -3.158 -11.373 1.00 0.00 H new ATOM 0 HD2 LYS A 56 96.004 -1.190 -11.766 1.00 0.00 H new ATOM 0 HD3 LYS A 56 97.614 -0.684 -12.236 1.00 0.00 H new ATOM 0 HE2 LYS A 56 96.044 -0.018 -14.026 1.00 0.00 H new ATOM 0 HE3 LYS A 56 97.054 -1.307 -14.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 94.400 -1.455 -14.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 95.369 -2.838 -14.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 94.666 -2.116 -13.137 1.00 0.00 H new ATOM 832 N LYS A 57 101.731 -3.536 -12.653 1.00 0.00 N ATOM 833 CA LYS A 57 103.085 -3.680 -13.245 1.00 0.00 C ATOM 834 C LYS A 57 103.665 -5.060 -12.923 1.00 0.00 C ATOM 835 O LYS A 57 104.392 -5.637 -13.706 1.00 0.00 O ATOM 836 CB LYS A 57 103.921 -2.582 -12.587 1.00 0.00 C ATOM 837 CG LYS A 57 104.722 -1.839 -13.657 1.00 0.00 C ATOM 838 CD LYS A 57 106.210 -2.149 -13.489 1.00 0.00 C ATOM 839 CE LYS A 57 106.488 -3.584 -13.943 1.00 0.00 C ATOM 840 NZ LYS A 57 107.623 -3.471 -14.901 1.00 0.00 N ATOM 0 H LYS A 57 101.633 -2.779 -11.977 1.00 0.00 H new ATOM 0 HA LYS A 57 103.071 -3.590 -14.331 1.00 0.00 H new ATOM 0 HB2 LYS A 57 103.272 -1.886 -12.055 1.00 0.00 H new ATOM 0 HB3 LYS A 57 104.595 -3.017 -11.849 1.00 0.00 H new ATOM 0 HG2 LYS A 57 104.387 -2.139 -14.650 1.00 0.00 H new ATOM 0 HG3 LYS A 57 104.552 -0.766 -13.574 1.00 0.00 H new ATOM 0 HD2 LYS A 57 106.806 -1.449 -14.075 1.00 0.00 H new ATOM 0 HD3 LYS A 57 106.503 -2.023 -12.447 1.00 0.00 H new ATOM 0 HE2 LYS A 57 106.746 -4.222 -13.098 1.00 0.00 H new ATOM 0 HE3 LYS A 57 105.612 -4.024 -14.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 107.872 -4.416 -15.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 107.345 -2.863 -15.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 108.445 -3.055 -14.418 1.00 0.00 H new ATOM 854 N LEU A 58 103.351 -5.589 -11.772 1.00 0.00 N ATOM 855 CA LEU A 58 103.885 -6.925 -11.395 1.00 0.00 C ATOM 856 C LEU A 58 103.540 -7.961 -12.467 1.00 0.00 C ATOM 857 O LEU A 58 102.400 -8.102 -12.863 1.00 0.00 O ATOM 858 CB LEU A 58 103.196 -7.265 -10.073 1.00 0.00 C ATOM 859 CG LEU A 58 104.121 -6.912 -8.909 1.00 0.00 C ATOM 860 CD1 LEU A 58 103.303 -6.296 -7.772 1.00 0.00 C ATOM 861 CD2 LEU A 58 104.813 -8.182 -8.408 1.00 0.00 C ATOM 0 H LEU A 58 102.747 -5.152 -11.076 1.00 0.00 H new ATOM 0 HA LEU A 58 104.971 -6.924 -11.301 1.00 0.00 H new ATOM 0 HB2 LEU A 58 102.259 -6.714 -9.987 1.00 0.00 H new ATOM 0 HB3 LEU A 58 102.946 -8.325 -10.044 1.00 0.00 H new ATOM 0 HG LEU A 58 104.870 -6.195 -9.245 1.00 0.00 H new ATOM 0 HD11 LEU A 58 103.964 -6.045 -6.943 1.00 0.00 H new ATOM 0 HD12 LEU A 58 102.808 -5.392 -8.128 1.00 0.00 H new ATOM 0 HD13 LEU A 58 102.553 -7.011 -7.434 1.00 0.00 H new ATOM 0 HD21 LEU A 58 105.474 -7.933 -7.578 1.00 0.00 H new ATOM 0 HD22 LEU A 58 104.062 -8.897 -8.072 1.00 0.00 H new ATOM 0 HD23 LEU A 58 105.397 -8.621 -9.217 1.00 0.00 H new ATOM 873 N ASP A 59 104.515 -8.688 -12.940 1.00 0.00 N ATOM 874 CA ASP A 59 104.241 -9.716 -13.985 1.00 0.00 C ATOM 875 C ASP A 59 103.146 -10.674 -13.508 1.00 0.00 C ATOM 876 O ASP A 59 102.156 -10.886 -14.181 1.00 0.00 O ATOM 877 CB ASP A 59 105.563 -10.461 -14.167 1.00 0.00 C ATOM 878 CG ASP A 59 106.697 -9.453 -14.360 1.00 0.00 C ATOM 879 OD1 ASP A 59 106.908 -8.649 -13.467 1.00 0.00 O ATOM 880 OD2 ASP A 59 107.335 -9.503 -15.399 1.00 0.00 O ATOM 0 H ASP A 59 105.490 -8.615 -12.648 1.00 0.00 H new ATOM 0 HA ASP A 59 103.893 -9.273 -14.918 1.00 0.00 H new ATOM 0 HB2 ASP A 59 105.763 -11.086 -13.297 1.00 0.00 H new ATOM 0 HB3 ASP A 59 105.502 -11.125 -15.029 1.00 0.00 H new ATOM 885 N SER A 60 103.319 -11.257 -12.353 1.00 0.00 N ATOM 886 CA SER A 60 102.295 -12.203 -11.830 1.00 0.00 C ATOM 887 C SER A 60 100.893 -11.597 -11.939 1.00 0.00 C ATOM 888 O SER A 60 99.913 -12.299 -12.086 1.00 0.00 O ATOM 889 CB SER A 60 102.669 -12.422 -10.365 1.00 0.00 C ATOM 890 OG SER A 60 103.895 -13.136 -10.294 1.00 0.00 O ATOM 0 H SER A 60 104.128 -11.118 -11.748 1.00 0.00 H new ATOM 0 HA SER A 60 102.277 -13.136 -12.394 1.00 0.00 H new ATOM 0 HB2 SER A 60 102.763 -11.463 -9.855 1.00 0.00 H new ATOM 0 HB3 SER A 60 101.881 -12.978 -9.856 1.00 0.00 H new ATOM 0 HG SER A 60 104.299 -13.005 -9.411 1.00 0.00 H new ATOM 896 N CYS A 61 100.786 -10.298 -11.865 1.00 0.00 N ATOM 897 CA CYS A 61 99.443 -9.656 -11.961 1.00 0.00 C ATOM 898 C CYS A 61 99.129 -9.293 -13.415 1.00 0.00 C ATOM 899 O CYS A 61 97.989 -9.293 -13.833 1.00 0.00 O ATOM 900 CB CYS A 61 99.545 -8.395 -11.101 1.00 0.00 C ATOM 901 SG CYS A 61 99.658 -8.862 -9.356 1.00 0.00 S ATOM 0 H CYS A 61 101.568 -9.655 -11.743 1.00 0.00 H new ATOM 0 HA CYS A 61 98.645 -10.317 -11.623 1.00 0.00 H new ATOM 0 HB2 CYS A 61 100.421 -7.814 -11.391 1.00 0.00 H new ATOM 0 HB3 CYS A 61 98.674 -7.760 -11.263 1.00 0.00 H new ATOM 906 N LYS A 62 100.133 -8.980 -14.186 1.00 0.00 N ATOM 907 CA LYS A 62 99.893 -8.615 -15.611 1.00 0.00 C ATOM 908 C LYS A 62 99.722 -9.876 -16.464 1.00 0.00 C ATOM 909 O LYS A 62 99.091 -9.852 -17.502 1.00 0.00 O ATOM 910 CB LYS A 62 101.143 -7.845 -16.037 1.00 0.00 C ATOM 911 CG LYS A 62 100.734 -6.589 -16.806 1.00 0.00 C ATOM 912 CD LYS A 62 101.934 -5.648 -16.921 1.00 0.00 C ATOM 913 CE LYS A 62 102.279 -5.437 -18.396 1.00 0.00 C ATOM 914 NZ LYS A 62 103.651 -5.994 -18.553 1.00 0.00 N ATOM 0 H LYS A 62 101.109 -8.961 -13.891 1.00 0.00 H new ATOM 0 HA LYS A 62 98.986 -8.024 -15.737 1.00 0.00 H new ATOM 0 HB2 LYS A 62 101.731 -7.572 -15.160 1.00 0.00 H new ATOM 0 HB3 LYS A 62 101.776 -8.476 -16.661 1.00 0.00 H new ATOM 0 HG2 LYS A 62 100.373 -6.859 -17.799 1.00 0.00 H new ATOM 0 HG3 LYS A 62 99.913 -6.087 -16.294 1.00 0.00 H new ATOM 0 HD2 LYS A 62 101.706 -4.692 -16.450 1.00 0.00 H new ATOM 0 HD3 LYS A 62 102.790 -6.068 -16.393 1.00 0.00 H new ATOM 0 HE2 LYS A 62 101.568 -5.949 -19.045 1.00 0.00 H new ATOM 0 HE3 LYS A 62 102.249 -4.380 -18.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 103.959 -5.886 -19.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 104.307 -5.483 -17.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 103.647 -7.003 -18.300 1.00 0.00 H new ATOM 928 N VAL A 63 100.281 -10.975 -16.037 1.00 0.00 N ATOM 929 CA VAL A 63 100.149 -12.231 -16.830 1.00 0.00 C ATOM 930 C VAL A 63 98.899 -13.005 -16.399 1.00 0.00 C ATOM 931 O VAL A 63 98.741 -14.170 -16.708 1.00 0.00 O ATOM 932 CB VAL A 63 101.416 -13.029 -16.521 1.00 0.00 C ATOM 933 CG1 VAL A 63 101.419 -14.321 -17.341 1.00 0.00 C ATOM 934 CG2 VAL A 63 102.643 -12.192 -16.887 1.00 0.00 C ATOM 0 H VAL A 63 100.822 -11.058 -15.176 1.00 0.00 H new ATOM 0 HA VAL A 63 100.042 -12.037 -17.897 1.00 0.00 H new ATOM 0 HB VAL A 63 101.443 -13.273 -15.459 1.00 0.00 H new ATOM 0 HG11 VAL A 63 102.322 -14.890 -17.121 1.00 0.00 H new ATOM 0 HG12 VAL A 63 100.543 -14.917 -17.084 1.00 0.00 H new ATOM 0 HG13 VAL A 63 101.394 -14.078 -18.403 1.00 0.00 H new ATOM 0 HG21 VAL A 63 103.548 -12.758 -16.668 1.00 0.00 H new ATOM 0 HG22 VAL A 63 102.615 -11.950 -17.949 1.00 0.00 H new ATOM 0 HG23 VAL A 63 102.642 -11.270 -16.305 1.00 0.00 H new ATOM 944 N LEU A 64 98.006 -12.365 -15.695 1.00 0.00 N ATOM 945 CA LEU A 64 96.762 -13.060 -15.254 1.00 0.00 C ATOM 946 C LEU A 64 95.579 -12.600 -16.109 1.00 0.00 C ATOM 947 O LEU A 64 95.097 -13.323 -16.958 1.00 0.00 O ATOM 948 CB LEU A 64 96.570 -12.644 -13.792 1.00 0.00 C ATOM 949 CG LEU A 64 97.273 -13.643 -12.864 1.00 0.00 C ATOM 950 CD1 LEU A 64 96.402 -14.890 -12.703 1.00 0.00 C ATOM 951 CD2 LEU A 64 98.629 -14.044 -13.455 1.00 0.00 C ATOM 0 H LEU A 64 98.084 -11.390 -15.406 1.00 0.00 H new ATOM 0 HA LEU A 64 96.829 -14.143 -15.358 1.00 0.00 H new ATOM 0 HB2 LEU A 64 96.973 -11.644 -13.634 1.00 0.00 H new ATOM 0 HB3 LEU A 64 95.507 -12.601 -13.554 1.00 0.00 H new ATOM 0 HG LEU A 64 97.430 -13.176 -11.892 1.00 0.00 H new ATOM 0 HD11 LEU A 64 96.901 -15.600 -12.044 1.00 0.00 H new ATOM 0 HD12 LEU A 64 95.441 -14.609 -12.273 1.00 0.00 H new ATOM 0 HD13 LEU A 64 96.242 -15.351 -13.678 1.00 0.00 H new ATOM 0 HD21 LEU A 64 99.121 -14.753 -12.789 1.00 0.00 H new ATOM 0 HD22 LEU A 64 98.478 -14.506 -14.431 1.00 0.00 H new ATOM 0 HD23 LEU A 64 99.254 -13.158 -13.566 1.00 0.00 H new ATOM 963 N VAL A 65 95.111 -11.400 -15.897 1.00 0.00 N ATOM 964 CA VAL A 65 93.970 -10.896 -16.697 1.00 0.00 C ATOM 965 C VAL A 65 93.988 -9.374 -16.741 1.00 0.00 C ATOM 966 O VAL A 65 92.990 -8.725 -16.982 1.00 0.00 O ATOM 967 CB VAL A 65 92.737 -11.392 -15.967 1.00 0.00 C ATOM 968 CG1 VAL A 65 91.478 -10.954 -16.721 1.00 0.00 C ATOM 969 CG2 VAL A 65 92.773 -12.920 -15.870 1.00 0.00 C ATOM 0 H VAL A 65 95.474 -10.749 -15.201 1.00 0.00 H new ATOM 0 HA VAL A 65 94.003 -11.242 -17.730 1.00 0.00 H new ATOM 0 HB VAL A 65 92.721 -10.968 -14.963 1.00 0.00 H new ATOM 0 HG11 VAL A 65 90.594 -11.313 -16.193 1.00 0.00 H new ATOM 0 HG12 VAL A 65 91.449 -9.866 -16.780 1.00 0.00 H new ATOM 0 HG13 VAL A 65 91.493 -11.371 -17.728 1.00 0.00 H new ATOM 0 HG21 VAL A 65 91.885 -13.272 -15.345 1.00 0.00 H new ATOM 0 HG22 VAL A 65 92.795 -13.348 -16.872 1.00 0.00 H new ATOM 0 HG23 VAL A 65 93.664 -13.229 -15.324 1.00 0.00 H new ATOM 979 N ASP A 66 95.128 -8.823 -16.511 1.00 0.00 N ATOM 980 CA ASP A 66 95.282 -7.336 -16.527 1.00 0.00 C ATOM 981 C ASP A 66 94.044 -6.660 -15.931 1.00 0.00 C ATOM 982 O ASP A 66 93.408 -5.841 -16.565 1.00 0.00 O ATOM 983 CB ASP A 66 95.434 -6.969 -18.004 1.00 0.00 C ATOM 984 CG ASP A 66 95.978 -5.543 -18.122 1.00 0.00 C ATOM 985 OD1 ASP A 66 96.979 -5.257 -17.487 1.00 0.00 O ATOM 986 OD2 ASP A 66 95.383 -4.761 -18.847 1.00 0.00 O ATOM 0 H ASP A 66 95.984 -9.338 -16.307 1.00 0.00 H new ATOM 0 HA ASP A 66 96.135 -7.007 -15.933 1.00 0.00 H new ATOM 0 HB2 ASP A 66 96.109 -7.669 -18.496 1.00 0.00 H new ATOM 0 HB3 ASP A 66 94.471 -7.045 -18.510 1.00 0.00 H new ATOM 991 N ASN A 67 93.694 -6.996 -14.719 1.00 0.00 N ATOM 992 CA ASN A 67 92.496 -6.369 -14.089 1.00 0.00 C ATOM 993 C ASN A 67 92.493 -6.627 -12.579 1.00 0.00 C ATOM 994 O ASN A 67 91.971 -7.622 -12.120 1.00 0.00 O ATOM 995 CB ASN A 67 91.298 -7.052 -14.751 1.00 0.00 C ATOM 996 CG ASN A 67 90.072 -6.143 -14.651 1.00 0.00 C ATOM 997 OD1 ASN A 67 89.117 -6.446 -13.815 1.00 0.00 O flip ATOM 998 ND2 ASN A 67 89.982 -5.146 -15.338 1.00 0.00 N flip ATOM 0 H ASN A 67 94.185 -7.676 -14.138 1.00 0.00 H new ATOM 0 HA ASN A 67 92.477 -5.288 -14.225 1.00 0.00 H new ATOM 0 HB2 ASN A 67 91.520 -7.267 -15.796 1.00 0.00 H new ATOM 0 HB3 ASN A 67 91.096 -8.007 -14.265 1.00 0.00 H new ATOM 0 HD21 ASN A 67 90.728 -4.908 -15.992 1.00 0.00 H new ATOM 0 HD22 ASN A 67 89.161 -4.546 -15.261 1.00 0.00 H new ATOM 1005 N PRO A 68 93.081 -5.713 -11.856 1.00 0.00 N ATOM 1006 CA PRO A 68 93.152 -5.835 -10.379 1.00 0.00 C ATOM 1007 C PRO A 68 91.785 -5.545 -9.752 1.00 0.00 C ATOM 1008 O PRO A 68 91.656 -4.709 -8.879 1.00 0.00 O ATOM 1009 CB PRO A 68 94.169 -4.769 -9.981 1.00 0.00 C ATOM 1010 CG PRO A 68 94.129 -3.760 -11.085 1.00 0.00 C ATOM 1011 CD PRO A 68 93.731 -4.490 -12.343 1.00 0.00 C ATOM 0 HA PRO A 68 93.434 -6.833 -10.044 1.00 0.00 H new ATOM 0 HB2 PRO A 68 93.911 -4.316 -9.024 1.00 0.00 H new ATOM 0 HB3 PRO A 68 95.166 -5.196 -9.873 1.00 0.00 H new ATOM 0 HG2 PRO A 68 93.415 -2.969 -10.857 1.00 0.00 H new ATOM 0 HG3 PRO A 68 95.102 -3.285 -11.208 1.00 0.00 H new ATOM 0 HD2 PRO A 68 93.052 -3.893 -12.952 1.00 0.00 H new ATOM 0 HD3 PRO A 68 94.598 -4.719 -12.963 1.00 0.00 H new ATOM 1019 N TYR A 69 90.763 -6.230 -10.188 1.00 0.00 N ATOM 1020 CA TYR A 69 89.407 -5.995 -9.615 1.00 0.00 C ATOM 1021 C TYR A 69 88.513 -7.215 -9.863 1.00 0.00 C ATOM 1022 O TYR A 69 87.375 -7.091 -10.268 1.00 0.00 O ATOM 1023 CB TYR A 69 88.867 -4.772 -10.356 1.00 0.00 C ATOM 1024 CG TYR A 69 89.001 -3.541 -9.468 1.00 0.00 C ATOM 1025 CD1 TYR A 69 88.116 -3.349 -8.399 1.00 0.00 C ATOM 1026 CD2 TYR A 69 90.009 -2.603 -9.718 1.00 0.00 C ATOM 1027 CE1 TYR A 69 88.240 -2.220 -7.582 1.00 0.00 C ATOM 1028 CE2 TYR A 69 90.133 -1.474 -8.901 1.00 0.00 C ATOM 1029 CZ TYR A 69 89.249 -1.282 -7.833 1.00 0.00 C ATOM 1030 OH TYR A 69 89.371 -0.169 -7.028 1.00 0.00 O ATOM 0 H TYR A 69 90.808 -6.942 -10.917 1.00 0.00 H new ATOM 0 HA TYR A 69 89.435 -5.835 -8.537 1.00 0.00 H new ATOM 0 HB2 TYR A 69 89.417 -4.625 -11.286 1.00 0.00 H new ATOM 0 HB3 TYR A 69 87.822 -4.928 -10.625 1.00 0.00 H new ATOM 0 HD1 TYR A 69 87.338 -4.073 -8.206 1.00 0.00 H new ATOM 0 HD2 TYR A 69 90.691 -2.751 -10.542 1.00 0.00 H new ATOM 0 HE1 TYR A 69 87.558 -2.072 -6.758 1.00 0.00 H new ATOM 0 HE2 TYR A 69 90.911 -0.750 -9.095 1.00 0.00 H new ATOM 0 HH TYR A 69 90.122 0.379 -7.339 1.00 0.00 H new ATOM 1040 N THR A 70 89.025 -8.389 -9.614 1.00 0.00 N ATOM 1041 CA THR A 70 88.220 -9.622 -9.823 1.00 0.00 C ATOM 1042 C THR A 70 89.068 -10.859 -9.508 1.00 0.00 C ATOM 1043 O THR A 70 88.903 -11.905 -10.104 1.00 0.00 O ATOM 1044 CB THR A 70 87.828 -9.605 -11.302 1.00 0.00 C ATOM 1045 OG1 THR A 70 87.166 -10.819 -11.628 1.00 0.00 O ATOM 1046 CG2 THR A 70 89.084 -9.459 -12.162 1.00 0.00 C ATOM 0 H THR A 70 89.973 -8.546 -9.272 1.00 0.00 H new ATOM 0 HA THR A 70 87.344 -9.656 -9.175 1.00 0.00 H new ATOM 0 HB THR A 70 87.161 -8.765 -11.493 1.00 0.00 H new ATOM 0 HG1 THR A 70 87.653 -11.573 -11.235 1.00 0.00 H new ATOM 0 HG21 THR A 70 88.804 -9.447 -13.215 1.00 0.00 H new ATOM 0 HG22 THR A 70 89.591 -8.527 -11.910 1.00 0.00 H new ATOM 0 HG23 THR A 70 89.753 -10.298 -11.974 1.00 0.00 H new ATOM 1054 N ASN A 71 89.975 -10.745 -8.576 1.00 0.00 N ATOM 1055 CA ASN A 71 90.835 -11.910 -8.223 1.00 0.00 C ATOM 1056 C ASN A 71 90.205 -12.703 -7.075 1.00 0.00 C ATOM 1057 O ASN A 71 89.423 -12.182 -6.304 1.00 0.00 O ATOM 1058 CB ASN A 71 92.167 -11.299 -7.786 1.00 0.00 C ATOM 1059 CG ASN A 71 93.131 -12.414 -7.378 1.00 0.00 C ATOM 1060 OD1 ASN A 71 92.826 -13.209 -6.511 1.00 0.00 O ATOM 1061 ND2 ASN A 71 94.289 -12.506 -7.971 1.00 0.00 N ATOM 0 H ASN A 71 90.158 -9.894 -8.043 1.00 0.00 H new ATOM 0 HA ASN A 71 90.958 -12.602 -9.056 1.00 0.00 H new ATOM 0 HB2 ASN A 71 92.595 -10.714 -8.600 1.00 0.00 H new ATOM 0 HB3 ASN A 71 92.009 -10.616 -6.951 1.00 0.00 H new ATOM 0 HD21 ASN A 71 94.940 -13.246 -7.707 1.00 0.00 H new ATOM 0 HD22 ASN A 71 94.544 -11.838 -8.699 1.00 0.00 H new ATOM 1068 N ASN A 72 90.538 -13.958 -6.956 1.00 0.00 N ATOM 1069 CA ASN A 72 89.956 -14.781 -5.858 1.00 0.00 C ATOM 1070 C ASN A 72 89.989 -14.004 -4.539 1.00 0.00 C ATOM 1071 O ASN A 72 88.973 -13.789 -3.909 1.00 0.00 O ATOM 1072 CB ASN A 72 90.849 -16.019 -5.773 1.00 0.00 C ATOM 1073 CG ASN A 72 90.288 -16.979 -4.723 1.00 0.00 C ATOM 1074 OD1 ASN A 72 89.452 -16.604 -3.926 1.00 0.00 O ATOM 1075 ND2 ASN A 72 90.715 -18.211 -4.689 1.00 0.00 N ATOM 0 H ASN A 72 91.187 -14.449 -7.570 1.00 0.00 H new ATOM 0 HA ASN A 72 88.915 -15.042 -6.047 1.00 0.00 H new ATOM 0 HB2 ASN A 72 90.898 -16.513 -6.744 1.00 0.00 H new ATOM 0 HB3 ASN A 72 91.867 -15.730 -5.510 1.00 0.00 H new ATOM 0 HD21 ASN A 72 90.347 -18.859 -3.993 1.00 0.00 H new ATOM 0 HD22 ASN A 72 91.417 -18.526 -5.358 1.00 0.00 H new ATOM 1082 N TYR A 73 91.150 -13.585 -4.114 1.00 0.00 N ATOM 1083 CA TYR A 73 91.244 -12.827 -2.834 1.00 0.00 C ATOM 1084 C TYR A 73 90.785 -13.708 -1.669 1.00 0.00 C ATOM 1085 O TYR A 73 90.014 -14.630 -1.844 1.00 0.00 O ATOM 1086 CB TYR A 73 90.303 -11.635 -3.008 1.00 0.00 C ATOM 1087 CG TYR A 73 90.740 -10.510 -2.101 1.00 0.00 C ATOM 1088 CD1 TYR A 73 90.464 -10.568 -0.730 1.00 0.00 C ATOM 1089 CD2 TYR A 73 91.417 -9.407 -2.634 1.00 0.00 C ATOM 1090 CE1 TYR A 73 90.867 -9.522 0.110 1.00 0.00 C ATOM 1091 CE2 TYR A 73 91.820 -8.361 -1.794 1.00 0.00 C ATOM 1092 CZ TYR A 73 91.545 -8.418 -0.423 1.00 0.00 C ATOM 1093 OH TYR A 73 91.941 -7.387 0.404 1.00 0.00 O ATOM 0 H TYR A 73 92.036 -13.735 -4.597 1.00 0.00 H new ATOM 0 HA TYR A 73 92.263 -12.510 -2.614 1.00 0.00 H new ATOM 0 HB2 TYR A 73 90.309 -11.302 -4.046 1.00 0.00 H new ATOM 0 HB3 TYR A 73 89.280 -11.929 -2.773 1.00 0.00 H new ATOM 0 HD1 TYR A 73 89.940 -11.419 -0.320 1.00 0.00 H new ATOM 0 HD2 TYR A 73 91.629 -9.362 -3.692 1.00 0.00 H new ATOM 0 HE1 TYR A 73 90.655 -9.567 1.168 1.00 0.00 H new ATOM 0 HE2 TYR A 73 92.343 -7.510 -2.205 1.00 0.00 H new ATOM 0 HH TYR A 73 91.518 -6.552 0.112 1.00 0.00 H new ATOM 1103 N SER A 74 91.253 -13.432 -0.483 1.00 0.00 N ATOM 1104 CA SER A 74 90.842 -14.257 0.689 1.00 0.00 C ATOM 1105 C SER A 74 91.617 -13.827 1.937 1.00 0.00 C ATOM 1106 O SER A 74 92.797 -13.540 1.878 1.00 0.00 O ATOM 1107 CB SER A 74 91.200 -15.692 0.308 1.00 0.00 C ATOM 1108 OG SER A 74 92.183 -15.672 -0.720 1.00 0.00 O ATOM 0 H SER A 74 91.901 -12.672 -0.274 1.00 0.00 H new ATOM 0 HA SER A 74 89.782 -14.147 0.919 1.00 0.00 H new ATOM 0 HB2 SER A 74 91.578 -16.228 1.178 1.00 0.00 H new ATOM 0 HB3 SER A 74 90.311 -16.223 -0.033 1.00 0.00 H new ATOM 0 HG SER A 74 93.064 -15.497 -0.327 1.00 0.00 H new ATOM 1114 N TYR A 75 90.966 -13.785 3.065 1.00 0.00 N ATOM 1115 CA TYR A 75 91.670 -13.378 4.314 1.00 0.00 C ATOM 1116 C TYR A 75 90.771 -13.613 5.530 1.00 0.00 C ATOM 1117 O TYR A 75 89.731 -14.234 5.435 1.00 0.00 O ATOM 1118 CB TYR A 75 91.969 -11.886 4.140 1.00 0.00 C ATOM 1119 CG TYR A 75 90.699 -11.073 4.364 1.00 0.00 C ATOM 1120 CD1 TYR A 75 89.709 -11.033 3.376 1.00 0.00 C ATOM 1121 CD2 TYR A 75 90.528 -10.360 5.557 1.00 0.00 C ATOM 1122 CE1 TYR A 75 88.545 -10.280 3.581 1.00 0.00 C ATOM 1123 CE2 TYR A 75 89.365 -9.608 5.762 1.00 0.00 C ATOM 1124 CZ TYR A 75 88.375 -9.569 4.774 1.00 0.00 C ATOM 1125 OH TYR A 75 87.229 -8.825 4.975 1.00 0.00 O ATOM 0 H TYR A 75 89.978 -14.014 3.177 1.00 0.00 H new ATOM 0 HA TYR A 75 92.580 -13.954 4.479 1.00 0.00 H new ATOM 0 HB2 TYR A 75 92.739 -11.576 4.846 1.00 0.00 H new ATOM 0 HB3 TYR A 75 92.360 -11.699 3.140 1.00 0.00 H new ATOM 0 HD1 TYR A 75 89.842 -11.582 2.456 1.00 0.00 H new ATOM 0 HD2 TYR A 75 91.293 -10.390 6.319 1.00 0.00 H new ATOM 0 HE1 TYR A 75 87.780 -10.249 2.819 1.00 0.00 H new ATOM 0 HE2 TYR A 75 89.232 -9.058 6.682 1.00 0.00 H new ATOM 0 HH TYR A 75 87.023 -8.794 5.933 1.00 0.00 H new ATOM 1135 N SER A 76 91.166 -13.122 6.669 1.00 0.00 N ATOM 1136 CA SER A 76 90.340 -13.318 7.892 1.00 0.00 C ATOM 1137 C SER A 76 90.595 -12.180 8.884 1.00 0.00 C ATOM 1138 O SER A 76 91.400 -11.304 8.641 1.00 0.00 O ATOM 1139 CB SER A 76 90.799 -14.656 8.467 1.00 0.00 C ATOM 1140 OG SER A 76 89.663 -15.474 8.713 1.00 0.00 O ATOM 0 H SER A 76 92.027 -12.592 6.807 1.00 0.00 H new ATOM 0 HA SER A 76 89.271 -13.317 7.680 1.00 0.00 H new ATOM 0 HB2 SER A 76 91.475 -15.152 7.770 1.00 0.00 H new ATOM 0 HB3 SER A 76 91.354 -14.497 9.391 1.00 0.00 H new ATOM 0 HG SER A 76 89.953 -16.335 9.081 1.00 0.00 H new ATOM 1146 N CYS A 77 89.916 -12.186 9.996 1.00 0.00 N ATOM 1147 CA CYS A 77 90.124 -11.103 11.000 1.00 0.00 C ATOM 1148 C CYS A 77 90.253 -11.706 12.395 1.00 0.00 C ATOM 1149 O CYS A 77 89.960 -12.863 12.617 1.00 0.00 O ATOM 1150 CB CYS A 77 88.877 -10.223 10.904 1.00 0.00 C ATOM 1151 SG CYS A 77 88.773 -9.105 12.325 1.00 0.00 S ATOM 0 H CYS A 77 89.227 -12.892 10.254 1.00 0.00 H new ATOM 0 HA CYS A 77 91.034 -10.532 10.813 1.00 0.00 H new ATOM 0 HB2 CYS A 77 88.904 -9.644 9.981 1.00 0.00 H new ATOM 0 HB3 CYS A 77 87.986 -10.849 10.862 1.00 0.00 H new ATOM 1156 N SER A 78 90.696 -10.925 13.328 1.00 0.00 N ATOM 1157 CA SER A 78 90.858 -11.435 14.720 1.00 0.00 C ATOM 1158 C SER A 78 91.607 -10.415 15.579 1.00 0.00 C ATOM 1159 O SER A 78 92.500 -9.736 15.113 1.00 0.00 O ATOM 1160 CB SER A 78 91.682 -12.716 14.581 1.00 0.00 C ATOM 1161 OG SER A 78 92.305 -13.011 15.824 1.00 0.00 O ATOM 0 H SER A 78 90.956 -9.948 13.192 1.00 0.00 H new ATOM 0 HA SER A 78 89.897 -11.614 15.203 1.00 0.00 H new ATOM 0 HB2 SER A 78 91.041 -13.543 14.277 1.00 0.00 H new ATOM 0 HB3 SER A 78 92.436 -12.595 13.803 1.00 0.00 H new ATOM 0 HG SER A 78 92.833 -13.832 15.739 1.00 0.00 H new ATOM 1167 N ASN A 79 91.253 -10.307 16.830 1.00 0.00 N ATOM 1168 CA ASN A 79 91.944 -9.334 17.727 1.00 0.00 C ATOM 1169 C ASN A 79 92.216 -8.021 16.991 1.00 0.00 C ATOM 1170 O ASN A 79 93.320 -7.515 16.987 1.00 0.00 O ATOM 1171 CB ASN A 79 93.258 -10.016 18.110 1.00 0.00 C ATOM 1172 CG ASN A 79 92.968 -11.415 18.657 1.00 0.00 C ATOM 1173 OD1 ASN A 79 93.649 -12.364 18.321 1.00 0.00 O ATOM 1174 ND2 ASN A 79 91.981 -11.584 19.494 1.00 0.00 N ATOM 0 H ASN A 79 90.513 -10.852 17.272 1.00 0.00 H new ATOM 0 HA ASN A 79 91.341 -9.083 18.600 1.00 0.00 H new ATOM 0 HB2 ASN A 79 93.912 -10.083 17.241 1.00 0.00 H new ATOM 0 HB3 ASN A 79 93.783 -9.423 18.859 1.00 0.00 H new ATOM 0 HD21 ASN A 79 91.781 -12.512 19.866 1.00 0.00 H new ATOM 0 HD22 ASN A 79 91.409 -10.788 19.776 1.00 0.00 H new ATOM 1181 N ASN A 80 91.213 -7.464 16.373 1.00 0.00 N ATOM 1182 CA ASN A 80 91.397 -6.191 15.645 1.00 0.00 C ATOM 1183 C ASN A 80 92.606 -6.291 14.725 1.00 0.00 C ATOM 1184 O ASN A 80 93.422 -5.394 14.640 1.00 0.00 O ATOM 1185 CB ASN A 80 91.610 -5.146 16.731 1.00 0.00 C ATOM 1186 CG ASN A 80 90.620 -5.359 17.849 1.00 0.00 C ATOM 1187 OD1 ASN A 80 90.975 -5.335 19.010 1.00 0.00 O ATOM 1188 ND2 ASN A 80 89.389 -5.568 17.551 1.00 0.00 N ATOM 0 H ASN A 80 90.267 -7.844 16.344 1.00 0.00 H new ATOM 0 HA ASN A 80 90.546 -5.938 15.012 1.00 0.00 H new ATOM 0 HB2 ASN A 80 92.627 -5.212 17.117 1.00 0.00 H new ATOM 0 HB3 ASN A 80 91.491 -4.146 16.314 1.00 0.00 H new ATOM 0 HD21 ASN A 80 88.703 -5.715 18.291 1.00 0.00 H new ATOM 0 HD22 ASN A 80 89.097 -5.587 16.574 1.00 0.00 H new ATOM 1195 N GLU A 81 92.713 -7.382 14.030 1.00 0.00 N ATOM 1196 CA GLU A 81 93.850 -7.568 13.097 1.00 0.00 C ATOM 1197 C GLU A 81 93.387 -8.264 11.820 1.00 0.00 C ATOM 1198 O GLU A 81 92.386 -8.951 11.799 1.00 0.00 O ATOM 1199 CB GLU A 81 94.860 -8.435 13.842 1.00 0.00 C ATOM 1200 CG GLU A 81 95.520 -7.603 14.936 1.00 0.00 C ATOM 1201 CD GLU A 81 97.037 -7.789 14.879 1.00 0.00 C ATOM 1202 OE1 GLU A 81 97.565 -7.850 13.781 1.00 0.00 O ATOM 1203 OE2 GLU A 81 97.644 -7.869 15.933 1.00 0.00 O ATOM 0 H GLU A 81 92.055 -8.160 14.069 1.00 0.00 H new ATOM 0 HA GLU A 81 94.283 -6.613 12.799 1.00 0.00 H new ATOM 0 HB2 GLU A 81 94.363 -9.302 14.277 1.00 0.00 H new ATOM 0 HB3 GLU A 81 95.613 -8.813 13.151 1.00 0.00 H new ATOM 0 HG2 GLU A 81 95.268 -6.550 14.808 1.00 0.00 H new ATOM 0 HG3 GLU A 81 95.143 -7.905 15.913 1.00 0.00 H new ATOM 1210 N ILE A 82 94.114 -8.092 10.756 1.00 0.00 N ATOM 1211 CA ILE A 82 93.724 -8.741 9.472 1.00 0.00 C ATOM 1212 C ILE A 82 94.508 -10.043 9.278 1.00 0.00 C ATOM 1213 O ILE A 82 95.688 -10.118 9.557 1.00 0.00 O ATOM 1214 CB ILE A 82 94.068 -7.710 8.390 1.00 0.00 C ATOM 1215 CG1 ILE A 82 92.912 -6.714 8.261 1.00 0.00 C ATOM 1216 CG2 ILE A 82 94.286 -8.408 7.045 1.00 0.00 C ATOM 1217 CD1 ILE A 82 93.432 -5.388 7.707 1.00 0.00 C ATOM 0 H ILE A 82 94.964 -7.529 10.717 1.00 0.00 H new ATOM 0 HA ILE A 82 92.669 -9.014 9.441 1.00 0.00 H new ATOM 0 HB ILE A 82 94.983 -7.188 8.671 1.00 0.00 H new ATOM 0 HG12 ILE A 82 92.143 -7.118 7.602 1.00 0.00 H new ATOM 0 HG13 ILE A 82 92.446 -6.555 9.234 1.00 0.00 H new ATOM 0 HG21 ILE A 82 94.530 -7.666 6.285 1.00 0.00 H new ATOM 0 HG22 ILE A 82 95.107 -9.120 7.133 1.00 0.00 H new ATOM 0 HG23 ILE A 82 93.377 -8.936 6.758 1.00 0.00 H new ATOM 0 HD11 ILE A 82 92.606 -4.682 7.617 1.00 0.00 H new ATOM 0 HD12 ILE A 82 94.185 -4.981 8.383 1.00 0.00 H new ATOM 0 HD13 ILE A 82 93.877 -5.553 6.726 1.00 0.00 H new ATOM 1229 N THR A 83 93.852 -11.071 8.811 1.00 0.00 N ATOM 1230 CA THR A 83 94.544 -12.378 8.607 1.00 0.00 C ATOM 1231 C THR A 83 94.427 -12.824 7.144 1.00 0.00 C ATOM 1232 O THR A 83 93.536 -13.564 6.782 1.00 0.00 O ATOM 1233 CB THR A 83 93.801 -13.350 9.534 1.00 0.00 C ATOM 1234 OG1 THR A 83 94.329 -13.242 10.848 1.00 0.00 O ATOM 1235 CG2 THR A 83 93.967 -14.789 9.035 1.00 0.00 C ATOM 0 H THR A 83 92.863 -11.063 8.561 1.00 0.00 H new ATOM 0 HA THR A 83 95.610 -12.327 8.829 1.00 0.00 H new ATOM 0 HB THR A 83 92.741 -13.097 9.539 1.00 0.00 H new ATOM 0 HG1 THR A 83 93.855 -13.860 11.443 1.00 0.00 H new ATOM 0 HG21 THR A 83 93.435 -15.469 9.701 1.00 0.00 H new ATOM 0 HG22 THR A 83 93.559 -14.874 8.028 1.00 0.00 H new ATOM 0 HG23 THR A 83 95.025 -15.049 9.020 1.00 0.00 H new ATOM 1243 N CYS A 84 95.322 -12.392 6.302 1.00 0.00 N ATOM 1244 CA CYS A 84 95.250 -12.809 4.874 1.00 0.00 C ATOM 1245 C CYS A 84 95.852 -14.207 4.703 1.00 0.00 C ATOM 1246 O CYS A 84 96.872 -14.529 5.279 1.00 0.00 O ATOM 1247 CB CYS A 84 96.072 -11.773 4.111 1.00 0.00 C ATOM 1248 SG CYS A 84 95.094 -11.134 2.728 1.00 0.00 S ATOM 0 H CYS A 84 96.096 -11.772 6.538 1.00 0.00 H new ATOM 0 HA CYS A 84 94.224 -12.857 4.510 1.00 0.00 H new ATOM 0 HB2 CYS A 84 96.359 -10.958 4.776 1.00 0.00 H new ATOM 0 HB3 CYS A 84 96.994 -12.223 3.742 1.00 0.00 H new ATOM 1253 N SER A 85 95.227 -15.041 3.916 1.00 0.00 N ATOM 1254 CA SER A 85 95.764 -16.418 3.711 1.00 0.00 C ATOM 1255 C SER A 85 97.071 -16.359 2.918 1.00 0.00 C ATOM 1256 O SER A 85 97.150 -15.739 1.876 1.00 0.00 O ATOM 1257 CB SER A 85 94.685 -17.155 2.920 1.00 0.00 C ATOM 1258 OG SER A 85 94.471 -16.489 1.682 1.00 0.00 O ATOM 0 H SER A 85 94.369 -14.829 3.407 1.00 0.00 H new ATOM 0 HA SER A 85 95.986 -16.920 4.653 1.00 0.00 H new ATOM 0 HB2 SER A 85 94.989 -18.187 2.743 1.00 0.00 H new ATOM 0 HB3 SER A 85 93.758 -17.189 3.492 1.00 0.00 H new ATOM 0 HG SER A 85 95.325 -16.391 1.211 1.00 0.00 H new ATOM 1264 N SER A 86 98.099 -16.999 3.407 1.00 0.00 N ATOM 1265 CA SER A 86 99.405 -16.978 2.686 1.00 0.00 C ATOM 1266 C SER A 86 99.264 -17.623 1.306 1.00 0.00 C ATOM 1267 O SER A 86 100.067 -17.398 0.422 1.00 0.00 O ATOM 1268 CB SER A 86 100.351 -17.795 3.563 1.00 0.00 C ATOM 1269 OG SER A 86 99.644 -18.899 4.113 1.00 0.00 O ATOM 0 H SER A 86 98.091 -17.535 4.274 1.00 0.00 H new ATOM 0 HA SER A 86 99.769 -15.963 2.523 1.00 0.00 H new ATOM 0 HB2 SER A 86 101.198 -18.147 2.974 1.00 0.00 H new ATOM 0 HB3 SER A 86 100.755 -17.172 4.361 1.00 0.00 H new ATOM 0 HG SER A 86 100.248 -19.427 4.675 1.00 0.00 H new ATOM 1275 N GLU A 87 98.250 -18.419 1.111 1.00 0.00 N ATOM 1276 CA GLU A 87 98.064 -19.073 -0.215 1.00 0.00 C ATOM 1277 C GLU A 87 98.028 -18.012 -1.315 1.00 0.00 C ATOM 1278 O GLU A 87 98.350 -18.274 -2.456 1.00 0.00 O ATOM 1279 CB GLU A 87 96.719 -19.793 -0.118 1.00 0.00 C ATOM 1280 CG GLU A 87 96.941 -21.216 0.398 1.00 0.00 C ATOM 1281 CD GLU A 87 96.701 -22.214 -0.736 1.00 0.00 C ATOM 1282 OE1 GLU A 87 97.559 -22.317 -1.598 1.00 0.00 O ATOM 1283 OE2 GLU A 87 95.664 -22.857 -0.724 1.00 0.00 O ATOM 0 H GLU A 87 97.543 -18.645 1.811 1.00 0.00 H new ATOM 0 HA GLU A 87 98.874 -19.761 -0.458 1.00 0.00 H new ATOM 0 HB2 GLU A 87 96.051 -19.251 0.552 1.00 0.00 H new ATOM 0 HB3 GLU A 87 96.237 -19.820 -1.095 1.00 0.00 H new ATOM 0 HG2 GLU A 87 97.956 -21.321 0.780 1.00 0.00 H new ATOM 0 HG3 GLU A 87 96.265 -21.423 1.228 1.00 0.00 H new ATOM 1290 N ASN A 88 97.639 -16.814 -0.977 1.00 0.00 N ATOM 1291 CA ASN A 88 97.582 -15.733 -1.998 1.00 0.00 C ATOM 1292 C ASN A 88 98.872 -15.718 -2.821 1.00 0.00 C ATOM 1293 O ASN A 88 99.955 -15.566 -2.291 1.00 0.00 O ATOM 1294 CB ASN A 88 97.443 -14.441 -1.195 1.00 0.00 C ATOM 1295 CG ASN A 88 96.127 -14.462 -0.418 1.00 0.00 C ATOM 1296 OD1 ASN A 88 95.238 -15.232 -0.723 1.00 0.00 O ATOM 1297 ND2 ASN A 88 95.964 -13.642 0.585 1.00 0.00 N ATOM 0 H ASN A 88 97.358 -16.537 -0.036 1.00 0.00 H new ATOM 0 HA ASN A 88 96.759 -15.867 -2.700 1.00 0.00 H new ATOM 0 HB2 ASN A 88 98.282 -14.336 -0.507 1.00 0.00 H new ATOM 0 HB3 ASN A 88 97.469 -13.580 -1.863 1.00 0.00 H new ATOM 0 HD21 ASN A 88 95.091 -13.648 1.112 1.00 0.00 H new ATOM 0 HD22 ASN A 88 96.710 -12.995 0.842 1.00 0.00 H new ATOM 1304 N ASN A 89 98.768 -15.874 -4.114 1.00 0.00 N ATOM 1305 CA ASN A 89 99.993 -15.867 -4.964 1.00 0.00 C ATOM 1306 C ASN A 89 100.642 -14.481 -4.949 1.00 0.00 C ATOM 1307 O ASN A 89 100.169 -13.569 -4.300 1.00 0.00 O ATOM 1308 CB ASN A 89 99.505 -16.212 -6.371 1.00 0.00 C ATOM 1309 CG ASN A 89 98.313 -15.325 -6.732 1.00 0.00 C ATOM 1310 OD1 ASN A 89 97.327 -15.294 -6.023 1.00 0.00 O ATOM 1311 ND2 ASN A 89 98.361 -14.597 -7.814 1.00 0.00 N ATOM 0 H ASN A 89 97.890 -16.006 -4.617 1.00 0.00 H new ATOM 0 HA ASN A 89 100.743 -16.573 -4.608 1.00 0.00 H new ATOM 0 HB2 ASN A 89 100.310 -16.068 -7.092 1.00 0.00 H new ATOM 0 HB3 ASN A 89 99.218 -17.262 -6.420 1.00 0.00 H new ATOM 0 HD21 ASN A 89 97.571 -14.002 -8.064 1.00 0.00 H new ATOM 0 HD22 ASN A 89 99.189 -14.623 -8.410 1.00 0.00 H new ATOM 1318 N ALA A 90 101.725 -14.319 -5.658 1.00 0.00 N ATOM 1319 CA ALA A 90 102.411 -12.998 -5.687 1.00 0.00 C ATOM 1320 C ALA A 90 101.396 -11.869 -5.891 1.00 0.00 C ATOM 1321 O ALA A 90 101.544 -10.786 -5.359 1.00 0.00 O ATOM 1322 CB ALA A 90 103.368 -13.075 -6.876 1.00 0.00 C ATOM 0 H ALA A 90 102.165 -15.047 -6.220 1.00 0.00 H new ATOM 0 HA ALA A 90 102.932 -12.788 -4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 90 103.913 -12.136 -6.965 1.00 0.00 H new ATOM 0 HB2 ALA A 90 104.074 -13.891 -6.723 1.00 0.00 H new ATOM 0 HB3 ALA A 90 102.800 -13.253 -7.789 1.00 0.00 H new ATOM 1328 N CYS A 91 100.370 -12.110 -6.662 1.00 0.00 N ATOM 1329 CA CYS A 91 99.355 -11.044 -6.903 1.00 0.00 C ATOM 1330 C CYS A 91 98.364 -10.970 -5.737 1.00 0.00 C ATOM 1331 O CYS A 91 98.162 -9.927 -5.148 1.00 0.00 O ATOM 1332 CB CYS A 91 98.639 -11.461 -8.188 1.00 0.00 C ATOM 1333 SG CYS A 91 98.012 -9.989 -9.035 1.00 0.00 S ATOM 0 H CYS A 91 100.191 -12.996 -7.134 1.00 0.00 H new ATOM 0 HA CYS A 91 99.811 -10.058 -6.989 1.00 0.00 H new ATOM 0 HB2 CYS A 91 99.324 -12.004 -8.839 1.00 0.00 H new ATOM 0 HB3 CYS A 91 97.817 -12.138 -7.956 1.00 0.00 H new ATOM 1338 N GLU A 92 97.743 -12.068 -5.399 1.00 0.00 N ATOM 1339 CA GLU A 92 96.766 -12.054 -4.273 1.00 0.00 C ATOM 1340 C GLU A 92 97.440 -11.527 -3.006 1.00 0.00 C ATOM 1341 O GLU A 92 96.824 -10.870 -2.189 1.00 0.00 O ATOM 1342 CB GLU A 92 96.345 -13.511 -4.089 1.00 0.00 C ATOM 1343 CG GLU A 92 95.221 -13.848 -5.073 1.00 0.00 C ATOM 1344 CD GLU A 92 94.520 -15.132 -4.626 1.00 0.00 C ATOM 1345 OE1 GLU A 92 94.178 -15.223 -3.458 1.00 0.00 O ATOM 1346 OE2 GLU A 92 94.337 -16.005 -5.460 1.00 0.00 O ATOM 0 H GLU A 92 97.870 -12.972 -5.853 1.00 0.00 H new ATOM 0 HA GLU A 92 95.911 -11.409 -4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 92 97.197 -14.170 -4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 92 96.008 -13.677 -3.066 1.00 0.00 H new ATOM 0 HG2 GLU A 92 94.505 -13.027 -5.119 1.00 0.00 H new ATOM 0 HG3 GLU A 92 95.627 -13.973 -6.077 1.00 0.00 H new ATOM 1353 N ALA A 93 98.701 -11.805 -2.841 1.00 0.00 N ATOM 1354 CA ALA A 93 99.416 -11.315 -1.628 1.00 0.00 C ATOM 1355 C ALA A 93 99.655 -9.809 -1.741 1.00 0.00 C ATOM 1356 O ALA A 93 99.450 -9.066 -0.802 1.00 0.00 O ATOM 1357 CB ALA A 93 100.745 -12.072 -1.614 1.00 0.00 C ATOM 0 H ALA A 93 99.268 -12.349 -3.491 1.00 0.00 H new ATOM 0 HA ALA A 93 98.848 -11.483 -0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 93 101.330 -11.764 -0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 93 100.553 -13.144 -1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 93 101.301 -11.848 -2.525 1.00 0.00 H new ATOM 1363 N PHE A 94 100.080 -9.352 -2.888 1.00 0.00 N ATOM 1364 CA PHE A 94 100.324 -7.893 -3.064 1.00 0.00 C ATOM 1365 C PHE A 94 98.995 -7.137 -3.012 1.00 0.00 C ATOM 1366 O PHE A 94 98.886 -6.094 -2.399 1.00 0.00 O ATOM 1367 CB PHE A 94 100.965 -7.760 -4.447 1.00 0.00 C ATOM 1368 CG PHE A 94 101.467 -6.348 -4.637 1.00 0.00 C ATOM 1369 CD1 PHE A 94 100.577 -5.334 -5.011 1.00 0.00 C ATOM 1370 CD2 PHE A 94 102.820 -6.053 -4.438 1.00 0.00 C ATOM 1371 CE1 PHE A 94 101.041 -4.024 -5.186 1.00 0.00 C ATOM 1372 CE2 PHE A 94 103.285 -4.744 -4.612 1.00 0.00 C ATOM 1373 CZ PHE A 94 102.395 -3.730 -4.987 1.00 0.00 C ATOM 0 H PHE A 94 100.268 -9.926 -3.710 1.00 0.00 H new ATOM 0 HA PHE A 94 100.962 -7.479 -2.283 1.00 0.00 H new ATOM 0 HB2 PHE A 94 101.789 -8.467 -4.547 1.00 0.00 H new ATOM 0 HB3 PHE A 94 100.238 -8.006 -5.221 1.00 0.00 H new ATOM 0 HD1 PHE A 94 99.533 -5.562 -5.165 1.00 0.00 H new ATOM 0 HD2 PHE A 94 103.506 -6.836 -4.150 1.00 0.00 H new ATOM 0 HE1 PHE A 94 100.355 -3.241 -5.474 1.00 0.00 H new ATOM 0 HE2 PHE A 94 104.329 -4.516 -4.457 1.00 0.00 H new ATOM 0 HZ PHE A 94 102.754 -2.720 -5.123 1.00 0.00 H new ATOM 1383 N ILE A 95 97.981 -7.661 -3.646 1.00 0.00 N ATOM 1384 CA ILE A 95 96.658 -6.976 -3.625 1.00 0.00 C ATOM 1385 C ILE A 95 96.133 -6.902 -2.191 1.00 0.00 C ATOM 1386 O ILE A 95 95.555 -5.914 -1.783 1.00 0.00 O ATOM 1387 CB ILE A 95 95.746 -7.847 -4.489 1.00 0.00 C ATOM 1388 CG1 ILE A 95 96.254 -7.841 -5.932 1.00 0.00 C ATOM 1389 CG2 ILE A 95 94.321 -7.290 -4.448 1.00 0.00 C ATOM 1390 CD1 ILE A 95 96.190 -6.418 -6.492 1.00 0.00 C ATOM 0 H ILE A 95 98.012 -8.532 -4.176 1.00 0.00 H new ATOM 0 HA ILE A 95 96.712 -5.954 -3.999 1.00 0.00 H new ATOM 0 HB ILE A 95 95.749 -8.868 -4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 95 97.278 -8.212 -5.969 1.00 0.00 H new ATOM 0 HG13 ILE A 95 95.650 -8.511 -6.544 1.00 0.00 H new ATOM 0 HG21 ILE A 95 93.670 -7.910 -5.064 1.00 0.00 H new ATOM 0 HG22 ILE A 95 93.959 -7.293 -3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 95 94.318 -6.269 -4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 95 96.552 -6.415 -7.520 1.00 0.00 H new ATOM 0 HD12 ILE A 95 95.159 -6.064 -6.469 1.00 0.00 H new ATOM 0 HD13 ILE A 95 96.813 -5.760 -5.886 1.00 0.00 H new ATOM 1402 N CYS A 96 96.333 -7.936 -1.420 1.00 0.00 N ATOM 1403 CA CYS A 96 95.850 -7.914 -0.012 1.00 0.00 C ATOM 1404 C CYS A 96 96.659 -6.896 0.792 1.00 0.00 C ATOM 1405 O CYS A 96 96.203 -6.368 1.786 1.00 0.00 O ATOM 1406 CB CYS A 96 96.087 -9.330 0.513 1.00 0.00 C ATOM 1407 SG CYS A 96 95.930 -9.343 2.315 1.00 0.00 S ATOM 0 H CYS A 96 96.809 -8.792 -1.704 1.00 0.00 H new ATOM 0 HA CYS A 96 94.801 -7.628 0.067 1.00 0.00 H new ATOM 0 HB2 CYS A 96 95.367 -10.018 0.070 1.00 0.00 H new ATOM 0 HB3 CYS A 96 97.079 -9.675 0.222 1.00 0.00 H new ATOM 1412 N ASN A 97 97.857 -6.614 0.361 1.00 0.00 N ATOM 1413 CA ASN A 97 98.698 -5.625 1.089 1.00 0.00 C ATOM 1414 C ASN A 97 98.176 -4.211 0.827 1.00 0.00 C ATOM 1415 O ASN A 97 98.123 -3.384 1.715 1.00 0.00 O ATOM 1416 CB ASN A 97 100.102 -5.796 0.508 1.00 0.00 C ATOM 1417 CG ASN A 97 100.604 -7.208 0.790 1.00 0.00 C ATOM 1418 OD1 ASN A 97 99.910 -8.009 1.383 1.00 0.00 O ATOM 1419 ND2 ASN A 97 101.794 -7.549 0.385 1.00 0.00 N ATOM 0 H ASN A 97 98.290 -7.027 -0.465 1.00 0.00 H new ATOM 0 HA ASN A 97 98.686 -5.778 2.168 1.00 0.00 H new ATOM 0 HB2 ASN A 97 100.087 -5.612 -0.566 1.00 0.00 H new ATOM 0 HB3 ASN A 97 100.780 -5.064 0.947 1.00 0.00 H new ATOM 0 HD21 ASN A 97 102.144 -8.490 0.566 1.00 0.00 H new ATOM 0 HD22 ASN A 97 102.376 -6.875 -0.113 1.00 0.00 H new ATOM 1426 N CYS A 98 97.780 -3.932 -0.386 1.00 0.00 N ATOM 1427 CA CYS A 98 97.253 -2.574 -0.704 1.00 0.00 C ATOM 1428 C CYS A 98 95.970 -2.321 0.087 1.00 0.00 C ATOM 1429 O CYS A 98 95.793 -1.280 0.685 1.00 0.00 O ATOM 1430 CB CYS A 98 96.956 -2.598 -2.205 1.00 0.00 C ATOM 1431 SG CYS A 98 98.423 -3.156 -3.108 1.00 0.00 S ATOM 0 H CYS A 98 97.799 -4.585 -1.169 1.00 0.00 H new ATOM 0 HA CYS A 98 97.958 -1.785 -0.445 1.00 0.00 H new ATOM 0 HB2 CYS A 98 96.117 -3.263 -2.409 1.00 0.00 H new ATOM 0 HB3 CYS A 98 96.665 -1.604 -2.544 1.00 0.00 H new ATOM 1436 N ASP A 99 95.077 -3.273 0.100 1.00 0.00 N ATOM 1437 CA ASP A 99 93.807 -3.093 0.858 1.00 0.00 C ATOM 1438 C ASP A 99 94.085 -3.162 2.361 1.00 0.00 C ATOM 1439 O ASP A 99 93.482 -2.457 3.148 1.00 0.00 O ATOM 1440 CB ASP A 99 92.913 -4.256 0.422 1.00 0.00 C ATOM 1441 CG ASP A 99 92.451 -4.036 -1.020 1.00 0.00 C ATOM 1442 OD1 ASP A 99 93.172 -3.388 -1.761 1.00 0.00 O ATOM 1443 OD2 ASP A 99 91.384 -4.520 -1.359 1.00 0.00 O ATOM 0 H ASP A 99 95.172 -4.167 -0.381 1.00 0.00 H new ATOM 0 HA ASP A 99 93.338 -2.129 0.662 1.00 0.00 H new ATOM 0 HB2 ASP A 99 93.459 -5.196 0.500 1.00 0.00 H new ATOM 0 HB3 ASP A 99 92.050 -4.332 1.083 1.00 0.00 H new ATOM 1448 N ARG A 100 94.997 -4.003 2.765 1.00 0.00 N ATOM 1449 CA ARG A 100 95.320 -4.116 4.216 1.00 0.00 C ATOM 1450 C ARG A 100 96.090 -2.878 4.679 1.00 0.00 C ATOM 1451 O ARG A 100 95.721 -2.223 5.633 1.00 0.00 O ATOM 1452 CB ARG A 100 96.199 -5.361 4.327 1.00 0.00 C ATOM 1453 CG ARG A 100 96.527 -5.622 5.798 1.00 0.00 C ATOM 1454 CD ARG A 100 97.993 -6.045 5.929 1.00 0.00 C ATOM 1455 NE ARG A 100 97.970 -7.233 6.812 1.00 0.00 N ATOM 1456 CZ ARG A 100 99.064 -7.634 7.401 1.00 0.00 C ATOM 1457 NH1 ARG A 100 99.551 -6.956 8.404 1.00 0.00 N ATOM 1458 NH2 ARG A 100 99.671 -8.712 6.986 1.00 0.00 N ATOM 0 H ARG A 100 95.533 -4.618 2.152 1.00 0.00 H new ATOM 0 HA ARG A 100 94.426 -4.189 4.836 1.00 0.00 H new ATOM 0 HB2 ARG A 100 95.685 -6.222 3.899 1.00 0.00 H new ATOM 0 HB3 ARG A 100 97.118 -5.223 3.757 1.00 0.00 H new ATOM 0 HG2 ARG A 100 96.343 -4.724 6.387 1.00 0.00 H new ATOM 0 HG3 ARG A 100 95.876 -6.402 6.194 1.00 0.00 H new ATOM 0 HD2 ARG A 100 98.423 -6.284 4.957 1.00 0.00 H new ATOM 0 HD3 ARG A 100 98.598 -5.246 6.358 1.00 0.00 H new ATOM 0 HE ARG A 100 97.097 -7.740 6.961 1.00 0.00 H new ATOM 0 HH11 ARG A 100 99.077 -6.113 8.728 1.00 0.00 H new ATOM 0 HH12 ARG A 100 100.406 -7.269 8.864 1.00 0.00 H new ATOM 0 HH21 ARG A 100 99.291 -9.241 6.201 1.00 0.00 H new ATOM 0 HH22 ARG A 100 100.526 -9.025 7.446 1.00 0.00 H new ATOM 1472 N ASN A 101 97.159 -2.554 4.005 1.00 0.00 N ATOM 1473 CA ASN A 101 97.955 -1.358 4.401 1.00 0.00 C ATOM 1474 C ASN A 101 97.050 -0.124 4.446 1.00 0.00 C ATOM 1475 O ASN A 101 97.280 0.801 5.199 1.00 0.00 O ATOM 1476 CB ASN A 101 99.016 -1.206 3.311 1.00 0.00 C ATOM 1477 CG ASN A 101 100.170 -2.165 3.583 1.00 0.00 C ATOM 1478 OD1 ASN A 101 100.138 -2.925 4.531 1.00 0.00 O ATOM 1479 ND2 ASN A 101 101.197 -2.160 2.782 1.00 0.00 N ATOM 0 H ASN A 101 97.516 -3.065 3.198 1.00 0.00 H new ATOM 0 HA ASN A 101 98.404 -1.465 5.389 1.00 0.00 H new ATOM 0 HB2 ASN A 101 98.580 -1.413 2.334 1.00 0.00 H new ATOM 0 HB3 ASN A 101 99.381 -0.179 3.286 1.00 0.00 H new ATOM 0 HD21 ASN A 101 101.977 -2.795 2.949 1.00 0.00 H new ATOM 0 HD22 ASN A 101 101.221 -1.521 1.987 1.00 0.00 H new ATOM 1486 N ALA A 102 96.020 -0.110 3.647 1.00 0.00 N ATOM 1487 CA ALA A 102 95.094 1.059 3.646 1.00 0.00 C ATOM 1488 C ALA A 102 94.190 1.007 4.880 1.00 0.00 C ATOM 1489 O ALA A 102 93.982 1.998 5.552 1.00 0.00 O ATOM 1490 CB ALA A 102 94.266 0.912 2.369 1.00 0.00 C ATOM 0 H ALA A 102 95.779 -0.856 2.995 1.00 0.00 H new ATOM 0 HA ALA A 102 95.626 2.010 3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 102 93.559 1.738 2.297 1.00 0.00 H new ATOM 0 HB2 ALA A 102 94.928 0.924 1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 102 93.721 -0.031 2.396 1.00 0.00 H new ATOM 1496 N ALA A 103 93.653 -0.143 5.183 1.00 0.00 N ATOM 1497 CA ALA A 103 92.766 -0.262 6.375 1.00 0.00 C ATOM 1498 C ALA A 103 93.567 0.007 7.651 1.00 0.00 C ATOM 1499 O ALA A 103 93.122 0.704 8.543 1.00 0.00 O ATOM 1500 CB ALA A 103 92.260 -1.705 6.350 1.00 0.00 C ATOM 0 H ALA A 103 93.790 -1.006 4.656 1.00 0.00 H new ATOM 0 HA ALA A 103 91.945 0.455 6.357 1.00 0.00 H new ATOM 0 HB1 ALA A 103 91.598 -1.873 7.199 1.00 0.00 H new ATOM 0 HB2 ALA A 103 91.714 -1.883 5.423 1.00 0.00 H new ATOM 0 HB3 ALA A 103 93.107 -2.389 6.409 1.00 0.00 H new ATOM 1506 N ILE A 104 94.749 -0.539 7.744 1.00 0.00 N ATOM 1507 CA ILE A 104 95.581 -0.314 8.959 1.00 0.00 C ATOM 1508 C ILE A 104 95.937 1.169 9.082 1.00 0.00 C ATOM 1509 O ILE A 104 96.085 1.694 10.168 1.00 0.00 O ATOM 1510 CB ILE A 104 96.842 -1.146 8.737 1.00 0.00 C ATOM 1511 CG1 ILE A 104 96.469 -2.628 8.669 1.00 0.00 C ATOM 1512 CG2 ILE A 104 97.813 -0.920 9.898 1.00 0.00 C ATOM 1513 CD1 ILE A 104 97.688 -3.442 8.231 1.00 0.00 C ATOM 0 H ILE A 104 95.174 -1.131 7.031 1.00 0.00 H new ATOM 0 HA ILE A 104 95.061 -0.598 9.874 1.00 0.00 H new ATOM 0 HB ILE A 104 97.315 -0.846 7.802 1.00 0.00 H new ATOM 0 HG12 ILE A 104 96.120 -2.971 9.643 1.00 0.00 H new ATOM 0 HG13 ILE A 104 95.649 -2.775 7.967 1.00 0.00 H new ATOM 0 HG21 ILE A 104 98.713 -1.514 9.740 1.00 0.00 H new ATOM 0 HG22 ILE A 104 98.079 0.136 9.950 1.00 0.00 H new ATOM 0 HG23 ILE A 104 97.339 -1.221 10.832 1.00 0.00 H new ATOM 0 HD11 ILE A 104 97.422 -4.498 8.183 1.00 0.00 H new ATOM 0 HD12 ILE A 104 98.016 -3.105 7.248 1.00 0.00 H new ATOM 0 HD13 ILE A 104 98.495 -3.304 8.950 1.00 0.00 H new ATOM 1525 N CYS A 105 96.078 1.845 7.976 1.00 0.00 N ATOM 1526 CA CYS A 105 96.426 3.291 8.027 1.00 0.00 C ATOM 1527 C CYS A 105 95.282 4.079 8.670 1.00 0.00 C ATOM 1528 O CYS A 105 95.499 4.940 9.499 1.00 0.00 O ATOM 1529 CB CYS A 105 96.617 3.709 6.569 1.00 0.00 C ATOM 1530 SG CYS A 105 97.619 5.216 6.499 1.00 0.00 S ATOM 0 H CYS A 105 95.967 1.458 7.039 1.00 0.00 H new ATOM 0 HA CYS A 105 97.320 3.483 8.620 1.00 0.00 H new ATOM 0 HB2 CYS A 105 97.104 2.909 6.011 1.00 0.00 H new ATOM 0 HB3 CYS A 105 95.649 3.881 6.099 1.00 0.00 H new ATOM 1535 N PHE A 106 94.064 3.784 8.301 1.00 0.00 N ATOM 1536 CA PHE A 106 92.912 4.507 8.897 1.00 0.00 C ATOM 1537 C PHE A 106 92.978 4.396 10.419 1.00 0.00 C ATOM 1538 O PHE A 106 92.756 5.350 11.138 1.00 0.00 O ATOM 1539 CB PHE A 106 91.667 3.789 8.368 1.00 0.00 C ATOM 1540 CG PHE A 106 91.582 3.906 6.859 1.00 0.00 C ATOM 1541 CD1 PHE A 106 92.567 4.596 6.137 1.00 0.00 C ATOM 1542 CD2 PHE A 106 90.507 3.317 6.183 1.00 0.00 C ATOM 1543 CE1 PHE A 106 92.473 4.694 4.743 1.00 0.00 C ATOM 1544 CE2 PHE A 106 90.414 3.416 4.790 1.00 0.00 C ATOM 1545 CZ PHE A 106 91.396 4.104 4.070 1.00 0.00 C ATOM 0 H PHE A 106 93.821 3.072 7.612 1.00 0.00 H new ATOM 0 HA PHE A 106 92.906 5.566 8.640 1.00 0.00 H new ATOM 0 HB2 PHE A 106 91.698 2.738 8.655 1.00 0.00 H new ATOM 0 HB3 PHE A 106 90.773 4.218 8.822 1.00 0.00 H new ATOM 0 HD1 PHE A 106 93.398 5.051 6.656 1.00 0.00 H new ATOM 0 HD2 PHE A 106 89.748 2.785 6.737 1.00 0.00 H new ATOM 0 HE1 PHE A 106 93.231 5.225 4.187 1.00 0.00 H new ATOM 0 HE2 PHE A 106 89.584 2.961 4.271 1.00 0.00 H new ATOM 0 HZ PHE A 106 91.324 4.180 2.995 1.00 0.00 H new ATOM 1555 N SER A 107 93.288 3.228 10.911 1.00 0.00 N ATOM 1556 CA SER A 107 93.375 3.036 12.388 1.00 0.00 C ATOM 1557 C SER A 107 94.664 3.663 12.928 1.00 0.00 C ATOM 1558 O SER A 107 94.837 3.819 14.121 1.00 0.00 O ATOM 1559 CB SER A 107 93.391 1.521 12.593 1.00 0.00 C ATOM 1560 OG SER A 107 94.651 1.003 12.182 1.00 0.00 O ATOM 0 H SER A 107 93.485 2.397 10.354 1.00 0.00 H new ATOM 0 HA SER A 107 92.546 3.509 12.914 1.00 0.00 H new ATOM 0 HB2 SER A 107 93.212 1.283 13.641 1.00 0.00 H new ATOM 0 HB3 SER A 107 92.589 1.056 12.019 1.00 0.00 H new ATOM 0 HG SER A 107 95.052 1.604 11.520 1.00 0.00 H new ATOM 1566 N LYS A 108 95.568 4.025 12.060 1.00 0.00 N ATOM 1567 CA LYS A 108 96.845 4.641 12.524 1.00 0.00 C ATOM 1568 C LYS A 108 96.761 6.165 12.425 1.00 0.00 C ATOM 1569 O LYS A 108 97.718 6.868 12.683 1.00 0.00 O ATOM 1570 CB LYS A 108 97.910 4.101 11.571 1.00 0.00 C ATOM 1571 CG LYS A 108 98.446 2.770 12.103 1.00 0.00 C ATOM 1572 CD LYS A 108 99.649 2.335 11.264 1.00 0.00 C ATOM 1573 CE LYS A 108 100.919 2.417 12.113 1.00 0.00 C ATOM 1574 NZ LYS A 108 101.333 1.003 12.322 1.00 0.00 N ATOM 0 H LYS A 108 95.478 3.921 11.049 1.00 0.00 H new ATOM 0 HA LYS A 108 97.067 4.402 13.564 1.00 0.00 H new ATOM 0 HB2 LYS A 108 97.486 3.963 10.576 1.00 0.00 H new ATOM 0 HB3 LYS A 108 98.724 4.820 11.474 1.00 0.00 H new ATOM 0 HG2 LYS A 108 98.736 2.874 13.148 1.00 0.00 H new ATOM 0 HG3 LYS A 108 97.666 2.009 12.063 1.00 0.00 H new ATOM 0 HD2 LYS A 108 99.505 1.317 10.903 1.00 0.00 H new ATOM 0 HD3 LYS A 108 99.744 2.974 10.386 1.00 0.00 H new ATOM 0 HE2 LYS A 108 101.698 2.985 11.605 1.00 0.00 H new ATOM 0 HE3 LYS A 108 100.728 2.917 13.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 102.199 0.976 12.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 100.575 0.488 12.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 101.515 0.555 11.401 1.00 0.00 H new ATOM 1588 N VAL A 109 95.623 6.682 12.051 1.00 0.00 N ATOM 1589 CA VAL A 109 95.476 8.160 11.933 1.00 0.00 C ATOM 1590 C VAL A 109 94.079 8.585 12.396 1.00 0.00 C ATOM 1591 O VAL A 109 93.190 7.765 12.514 1.00 0.00 O ATOM 1592 CB VAL A 109 95.670 8.455 10.446 1.00 0.00 C ATOM 1593 CG1 VAL A 109 97.048 7.959 10.005 1.00 0.00 C ATOM 1594 CG2 VAL A 109 94.587 7.736 9.638 1.00 0.00 C ATOM 0 H VAL A 109 94.787 6.144 11.822 1.00 0.00 H new ATOM 0 HA VAL A 109 96.192 8.704 12.550 1.00 0.00 H new ATOM 0 HB VAL A 109 95.598 9.529 10.275 1.00 0.00 H new ATOM 0 HG11 VAL A 109 97.188 8.169 8.945 1.00 0.00 H new ATOM 0 HG12 VAL A 109 97.820 8.470 10.581 1.00 0.00 H new ATOM 0 HG13 VAL A 109 97.120 6.885 10.175 1.00 0.00 H new ATOM 0 HG21 VAL A 109 94.725 7.946 8.577 1.00 0.00 H new ATOM 0 HG22 VAL A 109 94.659 6.662 9.808 1.00 0.00 H new ATOM 0 HG23 VAL A 109 93.604 8.088 9.953 1.00 0.00 H new ATOM 1604 N PRO A 110 93.934 9.858 12.644 1.00 0.00 N ATOM 1605 CA PRO A 110 92.630 10.399 13.101 1.00 0.00 C ATOM 1606 C PRO A 110 91.610 10.365 11.960 1.00 0.00 C ATOM 1607 O PRO A 110 91.912 9.957 10.857 1.00 0.00 O ATOM 1608 CB PRO A 110 92.958 11.834 13.506 1.00 0.00 C ATOM 1609 CG PRO A 110 94.179 12.184 12.719 1.00 0.00 C ATOM 1610 CD PRO A 110 94.953 10.906 12.523 1.00 0.00 C ATOM 0 HA PRO A 110 92.188 9.827 13.916 1.00 0.00 H new ATOM 0 HB2 PRO A 110 92.133 12.508 13.276 1.00 0.00 H new ATOM 0 HB3 PRO A 110 93.143 11.910 14.578 1.00 0.00 H new ATOM 0 HG2 PRO A 110 93.907 12.622 11.759 1.00 0.00 H new ATOM 0 HG3 PRO A 110 94.781 12.923 13.248 1.00 0.00 H new ATOM 0 HD2 PRO A 110 95.441 10.879 11.549 1.00 0.00 H new ATOM 0 HD3 PRO A 110 95.735 10.793 13.274 1.00 0.00 H new ATOM 1618 N TYR A 111 90.403 10.788 12.218 1.00 0.00 N ATOM 1619 CA TYR A 111 89.367 10.774 11.146 1.00 0.00 C ATOM 1620 C TYR A 111 88.698 12.147 11.029 1.00 0.00 C ATOM 1621 O TYR A 111 87.826 12.492 11.802 1.00 0.00 O ATOM 1622 CB TYR A 111 88.356 9.718 11.595 1.00 0.00 C ATOM 1623 CG TYR A 111 87.092 9.852 10.783 1.00 0.00 C ATOM 1624 CD1 TYR A 111 87.073 9.442 9.445 1.00 0.00 C ATOM 1625 CD2 TYR A 111 85.938 10.388 11.367 1.00 0.00 C ATOM 1626 CE1 TYR A 111 85.900 9.565 8.691 1.00 0.00 C ATOM 1627 CE2 TYR A 111 84.765 10.513 10.613 1.00 0.00 C ATOM 1628 CZ TYR A 111 84.746 10.101 9.276 1.00 0.00 C ATOM 1629 OH TYR A 111 83.590 10.224 8.532 1.00 0.00 O ATOM 0 H TYR A 111 90.090 11.142 13.122 1.00 0.00 H new ATOM 0 HA TYR A 111 89.789 10.549 10.166 1.00 0.00 H new ATOM 0 HB2 TYR A 111 88.777 8.720 11.470 1.00 0.00 H new ATOM 0 HB3 TYR A 111 88.134 9.840 12.655 1.00 0.00 H new ATOM 0 HD1 TYR A 111 87.964 9.030 8.994 1.00 0.00 H new ATOM 0 HD2 TYR A 111 85.953 10.705 12.399 1.00 0.00 H new ATOM 0 HE1 TYR A 111 85.885 9.247 7.659 1.00 0.00 H new ATOM 0 HE2 TYR A 111 83.875 10.927 11.063 1.00 0.00 H new ATOM 0 HH TYR A 111 82.883 10.613 9.088 1.00 0.00 H new ATOM 1639 N ASN A 112 89.099 12.932 10.065 1.00 0.00 N ATOM 1640 CA ASN A 112 88.485 14.281 9.895 1.00 0.00 C ATOM 1641 C ASN A 112 87.137 14.161 9.177 1.00 0.00 C ATOM 1642 O ASN A 112 87.075 14.037 7.970 1.00 0.00 O ATOM 1643 CB ASN A 112 89.479 15.066 9.036 1.00 0.00 C ATOM 1644 CG ASN A 112 90.490 15.774 9.940 1.00 0.00 C ATOM 1645 OD1 ASN A 112 91.532 15.119 10.374 1.00 0.00 O flip ATOM 1646 ND2 ASN A 112 90.330 16.937 10.256 1.00 0.00 N flip ATOM 0 H ASN A 112 89.825 12.698 9.388 1.00 0.00 H new ATOM 0 HA ASN A 112 88.296 14.771 10.850 1.00 0.00 H new ATOM 0 HB2 ASN A 112 89.996 14.392 8.353 1.00 0.00 H new ATOM 0 HB3 ASN A 112 88.949 15.796 8.424 1.00 0.00 H new ATOM 0 HD21 ASN A 112 89.516 17.450 9.917 1.00 0.00 H new ATOM 0 HD22 ASN A 112 91.010 17.400 10.860 1.00 0.00 H new ATOM 1653 N LYS A 113 86.058 14.195 9.909 1.00 0.00 N ATOM 1654 CA LYS A 113 84.718 14.081 9.266 1.00 0.00 C ATOM 1655 C LYS A 113 84.376 15.375 8.522 1.00 0.00 C ATOM 1656 O LYS A 113 83.519 15.399 7.660 1.00 0.00 O ATOM 1657 CB LYS A 113 83.743 13.851 10.423 1.00 0.00 C ATOM 1658 CG LYS A 113 83.894 14.977 11.449 1.00 0.00 C ATOM 1659 CD LYS A 113 82.511 15.400 11.948 1.00 0.00 C ATOM 1660 CE LYS A 113 82.519 16.899 12.261 1.00 0.00 C ATOM 1661 NZ LYS A 113 82.951 16.990 13.682 1.00 0.00 N ATOM 0 H LYS A 113 86.046 14.297 10.924 1.00 0.00 H new ATOM 0 HA LYS A 113 84.678 13.275 8.533 1.00 0.00 H new ATOM 0 HB2 LYS A 113 82.719 13.820 10.049 1.00 0.00 H new ATOM 0 HB3 LYS A 113 83.940 12.887 10.893 1.00 0.00 H new ATOM 0 HG2 LYS A 113 84.507 14.642 12.285 1.00 0.00 H new ATOM 0 HG3 LYS A 113 84.406 15.828 10.999 1.00 0.00 H new ATOM 0 HD2 LYS A 113 81.757 15.179 11.193 1.00 0.00 H new ATOM 0 HD3 LYS A 113 82.245 14.833 12.840 1.00 0.00 H new ATOM 0 HE2 LYS A 113 83.204 17.436 11.605 1.00 0.00 H new ATOM 0 HE3 LYS A 113 81.531 17.338 12.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 82.982 17.988 13.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 82.277 16.475 14.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 83.897 16.571 13.785 1.00 0.00 H new ATOM 1675 N GLU A 114 85.035 16.452 8.850 1.00 0.00 N ATOM 1676 CA GLU A 114 84.749 17.740 8.168 1.00 0.00 C ATOM 1677 C GLU A 114 85.161 17.664 6.697 1.00 0.00 C ATOM 1678 O GLU A 114 84.506 18.206 5.828 1.00 0.00 O ATOM 1679 CB GLU A 114 85.595 18.779 8.906 1.00 0.00 C ATOM 1680 CG GLU A 114 84.679 19.775 9.623 1.00 0.00 C ATOM 1681 CD GLU A 114 85.491 21.001 10.042 1.00 0.00 C ATOM 1682 OE1 GLU A 114 86.708 20.926 9.994 1.00 0.00 O ATOM 1683 OE2 GLU A 114 84.883 21.996 10.402 1.00 0.00 O ATOM 0 H GLU A 114 85.762 16.493 9.564 1.00 0.00 H new ATOM 0 HA GLU A 114 83.688 17.988 8.189 1.00 0.00 H new ATOM 0 HB2 GLU A 114 86.247 18.286 9.627 1.00 0.00 H new ATOM 0 HB3 GLU A 114 86.239 19.305 8.201 1.00 0.00 H new ATOM 0 HG2 GLU A 114 83.862 20.073 8.966 1.00 0.00 H new ATOM 0 HG3 GLU A 114 84.229 19.307 10.498 1.00 0.00 H new ATOM 1690 N HIS A 115 86.244 16.997 6.411 1.00 0.00 N ATOM 1691 CA HIS A 115 86.702 16.888 4.997 1.00 0.00 C ATOM 1692 C HIS A 115 85.893 15.816 4.261 1.00 0.00 C ATOM 1693 O HIS A 115 86.141 15.519 3.109 1.00 0.00 O ATOM 1694 CB HIS A 115 88.173 16.485 5.088 1.00 0.00 C ATOM 1695 CG HIS A 115 89.025 17.721 5.183 1.00 0.00 C ATOM 1696 ND1 HIS A 115 89.969 18.254 4.340 1.00 0.00 N flip ATOM 1697 CD2 HIS A 115 88.955 18.584 6.266 1.00 0.00 C flip ATOM 1698 CE1 HIS A 115 90.478 19.428 4.888 1.00 0.00 C flip ATOM 1699 NE2 HIS A 115 89.833 19.581 6.047 1.00 0.00 N flip ATOM 0 H HIS A 115 86.833 16.522 7.095 1.00 0.00 H new ATOM 0 HA HIS A 115 86.569 17.819 4.445 1.00 0.00 H new ATOM 0 HB2 HIS A 115 88.334 15.851 5.960 1.00 0.00 H new ATOM 0 HB3 HIS A 115 88.456 15.901 4.212 1.00 0.00 H new ATOM 0 HD2 HIS A 115 88.313 18.476 7.128 1.00 0.00 H new ATOM 0 HE1 HIS A 115 91.232 20.076 4.466 1.00 0.00 H new ATOM 0 HE2 HIS A 115 89.987 20.359 6.689 1.00 0.00 H new ATOM 1707 N LYS A 116 84.927 15.234 4.918 1.00 0.00 N ATOM 1708 CA LYS A 116 84.104 14.187 4.264 1.00 0.00 C ATOM 1709 C LYS A 116 83.323 14.783 3.090 1.00 0.00 C ATOM 1710 O LYS A 116 82.856 15.903 3.146 1.00 0.00 O ATOM 1711 CB LYS A 116 83.156 13.725 5.366 1.00 0.00 C ATOM 1712 CG LYS A 116 82.746 12.279 5.116 1.00 0.00 C ATOM 1713 CD LYS A 116 81.731 11.848 6.176 1.00 0.00 C ATOM 1714 CE LYS A 116 80.377 12.499 5.880 1.00 0.00 C ATOM 1715 NZ LYS A 116 79.712 11.583 4.914 1.00 0.00 N ATOM 0 H LYS A 116 84.674 15.442 5.884 1.00 0.00 H new ATOM 0 HA LYS A 116 84.699 13.370 3.855 1.00 0.00 H new ATOM 0 HB2 LYS A 116 83.642 13.813 6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 116 82.274 14.364 5.392 1.00 0.00 H new ATOM 0 HG2 LYS A 116 82.313 12.179 4.121 1.00 0.00 H new ATOM 0 HG3 LYS A 116 83.621 11.630 5.150 1.00 0.00 H new ATOM 0 HD2 LYS A 116 81.632 10.763 6.180 1.00 0.00 H new ATOM 0 HD3 LYS A 116 82.078 12.140 7.167 1.00 0.00 H new ATOM 0 HE2 LYS A 116 79.786 12.611 6.789 1.00 0.00 H new ATOM 0 HE3 LYS A 116 80.502 13.496 5.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 79.636 12.050 3.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 80.273 10.713 4.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 78.761 11.345 5.260 1.00 0.00 H new ATOM 1729 N ASN A 117 83.181 14.043 2.025 1.00 0.00 N ATOM 1730 CA ASN A 117 82.433 14.568 0.846 1.00 0.00 C ATOM 1731 C ASN A 117 82.921 15.976 0.494 1.00 0.00 C ATOM 1732 O ASN A 117 82.149 16.913 0.427 1.00 0.00 O ATOM 1733 CB ASN A 117 80.969 14.603 1.288 1.00 0.00 C ATOM 1734 CG ASN A 117 80.458 13.174 1.484 1.00 0.00 C ATOM 1735 OD1 ASN A 117 79.619 12.921 2.451 1.00 0.00 O flip ATOM 1736 ND2 ASN A 117 80.825 12.279 0.749 1.00 0.00 N flip ATOM 0 H ASN A 117 83.550 13.098 1.919 1.00 0.00 H new ATOM 0 HA ASN A 117 82.576 13.951 -0.041 1.00 0.00 H new ATOM 0 HB2 ASN A 117 80.872 15.165 2.217 1.00 0.00 H new ATOM 0 HB3 ASN A 117 80.365 15.117 0.540 1.00 0.00 H new ATOM 0 HD21 ASN A 117 81.481 12.476 -0.007 1.00 0.00 H new ATOM 0 HD22 ASN A 117 80.477 11.330 0.888 1.00 0.00 H new ATOM 1743 N LEU A 118 84.197 16.132 0.270 1.00 0.00 N ATOM 1744 CA LEU A 118 84.743 17.448 -0.072 1.00 0.00 C ATOM 1745 C LEU A 118 84.521 17.717 -1.565 1.00 0.00 C ATOM 1746 O LEU A 118 84.082 16.857 -2.303 1.00 0.00 O ATOM 1747 CB LEU A 118 86.222 17.294 0.283 1.00 0.00 C ATOM 1748 CG LEU A 118 87.079 18.265 -0.507 1.00 0.00 C ATOM 1749 CD1 LEU A 118 86.905 19.683 0.044 1.00 0.00 C ATOM 1750 CD2 LEU A 118 88.550 17.857 -0.386 1.00 0.00 C ATOM 0 H LEU A 118 84.886 15.381 0.314 1.00 0.00 H new ATOM 0 HA LEU A 118 84.283 18.289 0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 118 86.362 17.466 1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 118 86.543 16.272 0.080 1.00 0.00 H new ATOM 0 HG LEU A 118 86.772 18.244 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 118 87.524 20.374 -0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 118 85.859 19.979 -0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 118 87.208 19.706 1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 118 89.168 18.553 -0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 118 88.848 17.877 0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 118 88.682 16.850 -0.781 1.00 0.00 H new ATOM 1762 N ASP A 119 84.812 18.899 -2.006 1.00 0.00 N ATOM 1763 CA ASP A 119 84.613 19.236 -3.447 1.00 0.00 C ATOM 1764 C ASP A 119 85.902 19.005 -4.237 1.00 0.00 C ATOM 1765 O ASP A 119 86.957 19.495 -3.883 1.00 0.00 O ATOM 1766 CB ASP A 119 84.240 20.718 -3.458 1.00 0.00 C ATOM 1767 CG ASP A 119 83.572 21.066 -4.789 1.00 0.00 C ATOM 1768 OD1 ASP A 119 84.008 20.545 -5.802 1.00 0.00 O ATOM 1769 OD2 ASP A 119 82.636 21.847 -4.773 1.00 0.00 O ATOM 0 H ASP A 119 85.182 19.657 -1.432 1.00 0.00 H new ATOM 0 HA ASP A 119 83.846 18.615 -3.909 1.00 0.00 H new ATOM 0 HB2 ASP A 119 83.565 20.940 -2.631 1.00 0.00 H new ATOM 0 HB3 ASP A 119 85.131 21.329 -3.315 1.00 0.00 H new ATOM 1774 N LYS A 120 85.825 18.265 -5.309 1.00 0.00 N ATOM 1775 CA LYS A 120 87.040 18.007 -6.124 1.00 0.00 C ATOM 1776 C LYS A 120 87.773 19.321 -6.398 1.00 0.00 C ATOM 1777 O LYS A 120 88.957 19.340 -6.666 1.00 0.00 O ATOM 1778 CB LYS A 120 86.524 17.401 -7.431 1.00 0.00 C ATOM 1779 CG LYS A 120 85.894 16.035 -7.153 1.00 0.00 C ATOM 1780 CD LYS A 120 86.548 14.982 -8.049 1.00 0.00 C ATOM 1781 CE LYS A 120 85.783 14.889 -9.374 1.00 0.00 C ATOM 1782 NZ LYS A 120 86.466 15.850 -10.285 1.00 0.00 N ATOM 0 H LYS A 120 84.970 17.828 -5.654 1.00 0.00 H new ATOM 0 HA LYS A 120 87.743 17.344 -5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 120 85.789 18.065 -7.886 1.00 0.00 H new ATOM 0 HB3 LYS A 120 87.343 17.296 -8.143 1.00 0.00 H new ATOM 0 HG2 LYS A 120 86.025 15.768 -6.104 1.00 0.00 H new ATOM 0 HG3 LYS A 120 84.821 16.072 -7.340 1.00 0.00 H new ATOM 0 HD2 LYS A 120 87.589 15.245 -8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 120 86.549 14.014 -7.549 1.00 0.00 H new ATOM 0 HE2 LYS A 120 85.812 13.876 -9.776 1.00 0.00 H new ATOM 0 HE3 LYS A 120 84.733 15.149 -9.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 86.149 15.687 -11.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 86.231 16.823 -10.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 87.495 15.711 -10.227 1.00 0.00 H new ATOM 1796 N LYS A 121 87.075 20.422 -6.330 1.00 0.00 N ATOM 1797 CA LYS A 121 87.731 21.738 -6.584 1.00 0.00 C ATOM 1798 C LYS A 121 88.750 22.034 -5.494 1.00 0.00 C ATOM 1799 O LYS A 121 89.613 22.878 -5.636 1.00 0.00 O ATOM 1800 CB LYS A 121 86.601 22.758 -6.544 1.00 0.00 C ATOM 1801 CG LYS A 121 86.213 23.135 -7.968 1.00 0.00 C ATOM 1802 CD LYS A 121 84.764 22.717 -8.230 1.00 0.00 C ATOM 1803 CE LYS A 121 84.545 22.554 -9.736 1.00 0.00 C ATOM 1804 NZ LYS A 121 85.051 21.189 -10.053 1.00 0.00 N ATOM 0 H LYS A 121 86.080 20.468 -6.110 1.00 0.00 H new ATOM 0 HA LYS A 121 88.264 21.756 -7.535 1.00 0.00 H new ATOM 0 HB2 LYS A 121 85.741 22.344 -6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 121 86.915 23.645 -5.994 1.00 0.00 H new ATOM 0 HG2 LYS A 121 86.325 24.209 -8.114 1.00 0.00 H new ATOM 0 HG3 LYS A 121 86.878 22.645 -8.679 1.00 0.00 H new ATOM 0 HD2 LYS A 121 84.546 21.781 -7.716 1.00 0.00 H new ATOM 0 HD3 LYS A 121 84.080 23.466 -7.831 1.00 0.00 H new ATOM 0 HE2 LYS A 121 83.491 22.654 -9.995 1.00 0.00 H new ATOM 0 HE3 LYS A 121 85.085 23.316 -10.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 85.592 21.217 -10.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 85.667 20.860 -9.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 84.248 20.537 -10.157 1.00 0.00 H new ATOM 1818 N ASN A 122 88.671 21.315 -4.426 1.00 0.00 N ATOM 1819 CA ASN A 122 89.641 21.498 -3.318 1.00 0.00 C ATOM 1820 C ASN A 122 90.710 20.427 -3.451 1.00 0.00 C ATOM 1821 O ASN A 122 91.708 20.416 -2.759 1.00 0.00 O ATOM 1822 CB ASN A 122 88.829 21.264 -2.053 1.00 0.00 C ATOM 1823 CG ASN A 122 88.242 22.585 -1.560 1.00 0.00 C ATOM 1824 OD1 ASN A 122 87.023 22.905 -1.898 1.00 0.00 O flip ATOM 1825 ND2 ASN A 122 88.895 23.332 -0.860 1.00 0.00 N flip ATOM 0 H ASN A 122 87.966 20.595 -4.265 1.00 0.00 H new ATOM 0 HA ASN A 122 90.123 22.476 -3.315 1.00 0.00 H new ATOM 0 HB2 ASN A 122 88.028 20.552 -2.251 1.00 0.00 H new ATOM 0 HB3 ASN A 122 89.461 20.826 -1.280 1.00 0.00 H new ATOM 0 HD21 ASN A 122 89.848 23.081 -0.596 1.00 0.00 H new ATOM 0 HD22 ASN A 122 88.491 24.210 -0.536 1.00 0.00 H new ATOM 1832 N CYS A 123 90.469 19.511 -4.337 1.00 0.00 N ATOM 1833 CA CYS A 123 91.410 18.390 -4.555 1.00 0.00 C ATOM 1834 C CYS A 123 92.225 18.615 -5.833 1.00 0.00 C ATOM 1835 O CYS A 123 91.826 18.100 -6.864 1.00 0.00 O ATOM 1836 CB CYS A 123 90.486 17.186 -4.703 1.00 0.00 C ATOM 1837 SG CYS A 123 90.171 16.458 -3.076 1.00 0.00 S ATOM 1838 OXT CYS A 123 93.233 19.299 -5.757 1.00 0.00 O ATOM 0 H CYS A 123 89.641 19.493 -4.932 1.00 0.00 H new ATOM 0 HA CYS A 123 92.138 18.272 -3.752 1.00 0.00 H new ATOM 0 HB2 CYS A 123 89.547 17.490 -5.164 1.00 0.00 H new ATOM 0 HB3 CYS A 123 90.940 16.446 -5.362 1.00 0.00 H new TER 1843 CYS A 123