USER MOD reduce.3.24.130724 H: found=0, std=0, add=1106, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1106 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 108 SER OG : rot 180:sc= 0.96 USER MOD Set 1.2: A 124 THR OG1 : rot -108:sc= 1.28 USER MOD Set 2.1: A 95 CYS SG : rot -166:sc= -1.53 USER MOD Set 2.2: A 97 GLN : amide:sc= -1.71 K(o=-3.2,f=-5!) USER MOD Set 3.1: A 75 THR OG1 : rot 124:sc= 1.23 USER MOD Set 3.2: A 81 CYS SG : rot 38:sc= -1.99 USER MOD Set 4.1: A 56 THR OG1 : rot 41:sc= 0.0881 USER MOD Set 4.2: A 57 THR OG1 : rot 180:sc= -0.592 USER MOD Set 5.1: A 2 ASN : amide:sc= 0 K(o=-2.6,f=-3.4) USER MOD Set 5.2: A 91 ASN : amide:sc= -2.55 K(o=-2.6,f=-11!) USER MOD Single : A 4 SER OG : rot -6:sc= 0.86 USER MOD Single : A 6 ASN : amide:sc= -1.8 K(o=-1.8,f=-2.7) USER MOD Single : A 8 LYS NZ :NH3+ -179:sc= -4.06! (180deg=-4.15!) USER MOD Single : A 12 SER OG : rot 180:sc= -1.87 USER MOD Single : A 14 ASN : amide:sc= -0.502 K(o=-0.5,f=-1) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.332 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -2.35! F(o=-3.5,f=-2.3!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot -15:sc= -1.88 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0537 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -130:sc= -0.598 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.284 USER MOD Single : A 64 ASN :FLIP amide:sc= -2.34! C(o=-3.5!,f=-2.3!) USER MOD Single : A 66 LYS NZ :NH3+ 154:sc= -0.227 (180deg=-1.46!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -143:sc= -0.537 (180deg=-2.64!) USER MOD Single : A 83 SER OG : rot 120:sc= -0.182 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= -0.0845 USER MOD Single : A 92 LYS NZ :NH3+ 164:sc= -0.0753 (180deg=-0.564) USER MOD Single : A 93 MET CE :methyl 178:sc= -4.7! (180deg=-4.75!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.0359 USER MOD Single : A 110 THR OG1 : rot 46:sc= 0.886! USER MOD Single : A 114 THR OG1 : rot 75:sc= 0.311 USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 122 THR OG1 : rot 180:sc= -2.73! USER MOD Single : A 123 MET CE :methyl -145:sc= -0.68 (180deg=-2.57!) USER MOD Single : A 130 CYS SG : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.475 USER MOD Single : A 134 TYR OH : rot 30:sc= -3.85 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -15.234 -0.833 10.679 1.00 0.00 N ATOM 2 CA PRO A 1 -13.820 -0.742 10.180 1.00 0.00 C ATOM 3 C PRO A 1 -13.583 0.580 9.430 1.00 0.00 C ATOM 4 O PRO A 1 -12.476 1.074 9.403 1.00 0.00 O ATOM 5 CB PRO A 1 -13.578 -1.911 9.220 1.00 0.00 C ATOM 6 CG PRO A 1 -14.885 -2.692 9.125 1.00 0.00 C ATOM 7 CD PRO A 1 -15.933 -1.919 9.927 1.00 0.00 C ATOM 0 H2 PRO A 1 -15.715 0.057 10.546 1.00 0.00 H new ATOM 0 H3 PRO A 1 -15.245 -1.031 11.680 1.00 0.00 H new ATOM 0 HA PRO A 1 -13.137 -0.781 11.029 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -13.275 -1.547 8.238 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -12.774 -2.549 9.586 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -15.196 -2.796 8.086 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -14.761 -3.699 9.523 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -16.686 -1.497 9.262 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -16.453 -2.585 10.616 1.00 0.00 H new ATOM 17 N ASN A 2 -14.600 1.133 8.792 1.00 0.00 N ATOM 18 CA ASN A 2 -14.426 2.402 8.013 1.00 0.00 C ATOM 19 C ASN A 2 -13.659 2.072 6.726 1.00 0.00 C ATOM 20 O ASN A 2 -13.904 1.042 6.138 1.00 0.00 O ATOM 21 CB ASN A 2 -13.745 3.484 8.876 1.00 0.00 C ATOM 22 CG ASN A 2 -14.608 3.763 10.108 1.00 0.00 C ATOM 23 OD1 ASN A 2 -14.260 3.379 11.207 1.00 0.00 O ATOM 24 ND2 ASN A 2 -15.727 4.420 9.971 1.00 0.00 N ATOM 0 H ASN A 2 -15.546 0.753 8.781 1.00 0.00 H new ATOM 0 HA ASN A 2 -15.391 2.823 7.732 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -12.752 3.152 9.180 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -13.612 4.397 8.296 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -16.309 4.611 10.786 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -16.019 4.743 9.049 1.00 0.00 H new ATOM 31 N PHE A 3 -12.765 2.922 6.281 1.00 0.00 N ATOM 32 CA PHE A 3 -11.978 2.690 5.008 1.00 0.00 C ATOM 33 C PHE A 3 -12.805 3.069 3.760 1.00 0.00 C ATOM 34 O PHE A 3 -12.288 3.660 2.832 1.00 0.00 O ATOM 35 CB PHE A 3 -11.520 1.230 4.838 1.00 0.00 C ATOM 36 CG PHE A 3 -10.606 0.790 5.959 1.00 0.00 C ATOM 37 CD1 PHE A 3 -11.137 0.297 7.157 1.00 0.00 C ATOM 38 CD2 PHE A 3 -9.218 0.818 5.775 1.00 0.00 C ATOM 39 CE1 PHE A 3 -10.300 -0.169 8.153 1.00 0.00 C ATOM 40 CE2 PHE A 3 -8.371 0.360 6.791 1.00 0.00 C ATOM 41 CZ PHE A 3 -8.920 -0.144 7.984 1.00 0.00 C ATOM 0 H PHE A 3 -12.535 3.795 6.756 1.00 0.00 H new ATOM 0 HA PHE A 3 -11.099 3.328 5.098 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -12.393 0.578 4.804 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.003 1.121 3.885 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -12.207 0.281 7.304 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -8.802 1.192 4.851 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.721 -0.555 9.069 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -7.300 0.393 6.659 1.00 0.00 H new ATOM 0 HZ PHE A 3 -8.272 -0.510 8.766 1.00 0.00 H new ATOM 51 N SER A 4 -14.070 2.708 3.707 1.00 0.00 N ATOM 52 CA SER A 4 -14.910 3.019 2.507 1.00 0.00 C ATOM 53 C SER A 4 -14.864 4.519 2.183 1.00 0.00 C ATOM 54 O SER A 4 -15.212 5.345 3.005 1.00 0.00 O ATOM 55 CB SER A 4 -16.358 2.610 2.794 1.00 0.00 C ATOM 56 OG SER A 4 -17.002 3.621 3.563 1.00 0.00 O ATOM 0 H SER A 4 -14.557 2.208 4.451 1.00 0.00 H new ATOM 0 HA SER A 4 -14.520 2.467 1.652 1.00 0.00 H new ATOM 0 HB2 SER A 4 -16.894 2.456 1.858 1.00 0.00 H new ATOM 0 HB3 SER A 4 -16.378 1.663 3.333 1.00 0.00 H new ATOM 0 HG SER A 4 -16.349 4.309 3.811 1.00 0.00 H new ATOM 62 N GLY A 5 -14.452 4.873 0.989 1.00 0.00 N ATOM 63 CA GLY A 5 -14.403 6.316 0.614 1.00 0.00 C ATOM 64 C GLY A 5 -13.172 6.589 -0.235 1.00 0.00 C ATOM 65 O GLY A 5 -12.173 5.903 -0.146 1.00 0.00 O ATOM 0 H GLY A 5 -14.149 4.225 0.262 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -15.303 6.588 0.063 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.380 6.933 1.512 1.00 0.00 H new ATOM 69 N ASN A 6 -13.234 7.616 -1.031 1.00 0.00 N ATOM 70 CA ASN A 6 -12.067 7.990 -1.868 1.00 0.00 C ATOM 71 C ASN A 6 -11.085 8.680 -0.946 1.00 0.00 C ATOM 72 O ASN A 6 -11.486 9.225 0.068 1.00 0.00 O ATOM 73 CB ASN A 6 -12.498 8.938 -2.989 1.00 0.00 C ATOM 74 CG ASN A 6 -11.306 9.221 -3.905 1.00 0.00 C ATOM 75 OD1 ASN A 6 -10.394 9.932 -3.532 1.00 0.00 O ATOM 76 ND2 ASN A 6 -11.273 8.690 -5.096 1.00 0.00 N ATOM 0 H ASN A 6 -14.051 8.217 -1.138 1.00 0.00 H new ATOM 0 HA ASN A 6 -11.621 7.113 -2.337 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -13.313 8.495 -3.561 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -12.875 9.870 -2.567 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -10.482 8.872 -5.714 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -12.038 8.093 -5.410 1.00 0.00 H new ATOM 83 N TRP A 7 -9.811 8.630 -1.234 1.00 0.00 N ATOM 84 CA TRP A 7 -8.845 9.259 -0.287 1.00 0.00 C ATOM 85 C TRP A 7 -7.889 10.217 -0.974 1.00 0.00 C ATOM 86 O TRP A 7 -7.265 9.898 -1.969 1.00 0.00 O ATOM 87 CB TRP A 7 -8.055 8.158 0.386 1.00 0.00 C ATOM 88 CG TRP A 7 -8.995 7.254 1.096 1.00 0.00 C ATOM 89 CD1 TRP A 7 -9.470 6.084 0.622 1.00 0.00 C ATOM 90 CD2 TRP A 7 -9.607 7.455 2.387 1.00 0.00 C ATOM 91 NE1 TRP A 7 -10.292 5.522 1.579 1.00 0.00 N ATOM 92 CE2 TRP A 7 -10.416 6.339 2.686 1.00 0.00 C ATOM 93 CE3 TRP A 7 -9.520 8.487 3.323 1.00 0.00 C ATOM 94 CZ2 TRP A 7 -11.117 6.252 3.889 1.00 0.00 C ATOM 95 CZ3 TRP A 7 -10.229 8.418 4.519 1.00 0.00 C ATOM 96 CH2 TRP A 7 -11.027 7.301 4.811 1.00 0.00 C ATOM 0 H TRP A 7 -9.405 8.193 -2.062 1.00 0.00 H new ATOM 0 HA TRP A 7 -9.413 9.843 0.437 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -7.482 7.599 -0.354 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -7.339 8.584 1.089 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -9.245 5.658 -0.345 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -10.751 4.616 1.481 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -8.898 9.346 3.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -11.723 5.385 4.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -10.164 9.230 5.228 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -11.569 7.251 5.744 1.00 0.00 H new ATOM 107 N LYS A 8 -7.757 11.390 -0.414 1.00 0.00 N ATOM 108 CA LYS A 8 -6.823 12.394 -0.980 1.00 0.00 C ATOM 109 C LYS A 8 -5.473 12.207 -0.287 1.00 0.00 C ATOM 110 O LYS A 8 -5.411 11.675 0.809 1.00 0.00 O ATOM 111 CB LYS A 8 -7.329 13.830 -0.720 1.00 0.00 C ATOM 112 CG LYS A 8 -8.859 13.869 -0.565 1.00 0.00 C ATOM 113 CD LYS A 8 -9.215 13.853 0.921 1.00 0.00 C ATOM 114 CE LYS A 8 -9.370 15.289 1.428 1.00 0.00 C ATOM 115 NZ LYS A 8 -8.084 16.021 1.252 1.00 0.00 N ATOM 0 H LYS A 8 -8.263 11.694 0.418 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.743 12.254 -2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.861 14.224 0.182 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.029 14.477 -1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.262 14.765 -1.038 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.309 13.013 -1.068 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -10.141 13.300 1.077 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.437 13.339 1.486 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.166 15.795 0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.658 15.285 2.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.185 16.991 1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.332 15.533 1.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.837 16.051 0.242 1.00 0.00 H new ATOM 129 N ILE A 9 -4.396 12.631 -0.901 1.00 0.00 N ATOM 130 CA ILE A 9 -3.062 12.464 -0.255 1.00 0.00 C ATOM 131 C ILE A 9 -2.886 13.532 0.829 1.00 0.00 C ATOM 132 O ILE A 9 -3.282 14.672 0.676 1.00 0.00 O ATOM 133 CB ILE A 9 -1.945 12.530 -1.327 1.00 0.00 C ATOM 134 CG1 ILE A 9 -0.729 11.706 -0.860 1.00 0.00 C ATOM 135 CG2 ILE A 9 -1.516 13.978 -1.624 1.00 0.00 C ATOM 136 CD1 ILE A 9 -0.046 12.356 0.355 1.00 0.00 C ATOM 0 H ILE A 9 -4.384 13.082 -1.816 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.995 11.487 0.224 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.345 12.111 -2.251 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.049 10.696 -0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.013 11.616 -1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.731 13.977 -2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.373 14.543 -1.990 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.139 14.440 -0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.808 11.750 0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.295 13.356 0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.756 12.423 1.179 1.00 0.00 H new ATOM 148 N ILE A 10 -2.288 13.149 1.912 1.00 0.00 N ATOM 149 CA ILE A 10 -2.058 14.080 3.037 1.00 0.00 C ATOM 150 C ILE A 10 -0.806 13.592 3.777 1.00 0.00 C ATOM 151 O ILE A 10 -0.777 12.514 4.333 1.00 0.00 O ATOM 152 CB ILE A 10 -3.311 14.073 3.938 1.00 0.00 C ATOM 153 CG1 ILE A 10 -4.419 14.898 3.261 1.00 0.00 C ATOM 154 CG2 ILE A 10 -3.017 14.678 5.318 1.00 0.00 C ATOM 155 CD1 ILE A 10 -5.357 13.977 2.471 1.00 0.00 C ATOM 0 H ILE A 10 -1.940 12.203 2.068 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.895 15.106 2.708 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.624 13.038 4.076 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.985 15.447 4.014 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.976 15.637 2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.922 14.656 5.925 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.236 14.099 5.810 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.684 15.709 5.200 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.137 14.572 1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.788 13.448 1.706 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.813 13.255 3.148 1.00 0.00 H new ATOM 167 N ARG A 11 0.236 14.375 3.752 1.00 0.00 N ATOM 168 CA ARG A 11 1.522 13.987 4.417 1.00 0.00 C ATOM 169 C ARG A 11 2.185 12.872 3.617 1.00 0.00 C ATOM 170 O ARG A 11 1.640 11.795 3.466 1.00 0.00 O ATOM 171 CB ARG A 11 1.284 13.503 5.860 1.00 0.00 C ATOM 172 CG ARG A 11 0.271 14.404 6.583 1.00 0.00 C ATOM 173 CD ARG A 11 0.678 15.880 6.471 1.00 0.00 C ATOM 174 NE ARG A 11 0.740 16.484 7.832 1.00 0.00 N ATOM 175 CZ ARG A 11 1.766 17.213 8.176 1.00 0.00 C ATOM 176 NH1 ARG A 11 2.817 16.651 8.708 1.00 0.00 N ATOM 177 NH2 ARG A 11 1.741 18.505 7.989 1.00 0.00 N ATOM 0 H ARG A 11 0.256 15.285 3.292 1.00 0.00 H new ATOM 0 HA ARG A 11 2.167 14.865 4.453 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.919 12.476 5.847 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.227 13.499 6.406 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.721 14.262 6.153 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.208 14.118 7.633 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.647 15.965 5.980 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.040 16.420 5.854 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.020 16.328 8.495 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.836 15.642 8.855 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.619 17.221 8.977 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.919 18.944 7.574 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.543 19.075 8.258 1.00 0.00 H new ATOM 191 N SER A 12 3.360 13.126 3.102 1.00 0.00 N ATOM 192 CA SER A 12 4.069 12.088 2.307 1.00 0.00 C ATOM 193 C SER A 12 5.574 12.382 2.310 1.00 0.00 C ATOM 194 O SER A 12 5.996 13.501 2.084 1.00 0.00 O ATOM 195 CB SER A 12 3.540 12.108 0.865 1.00 0.00 C ATOM 196 OG SER A 12 2.915 10.866 0.574 1.00 0.00 O ATOM 0 H SER A 12 3.858 14.011 3.200 1.00 0.00 H new ATOM 0 HA SER A 12 3.894 11.105 2.745 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.829 12.924 0.738 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.359 12.288 0.168 1.00 0.00 H new ATOM 0 HG SER A 12 2.575 10.878 -0.345 1.00 0.00 H new ATOM 202 N GLU A 13 6.382 11.384 2.558 1.00 0.00 N ATOM 203 CA GLU A 13 7.861 11.590 2.571 1.00 0.00 C ATOM 204 C GLU A 13 8.549 10.249 2.827 1.00 0.00 C ATOM 205 O GLU A 13 9.261 10.071 3.798 1.00 0.00 O ATOM 206 CB GLU A 13 8.234 12.589 3.671 1.00 0.00 C ATOM 207 CG GLU A 13 9.452 13.403 3.232 1.00 0.00 C ATOM 208 CD GLU A 13 9.808 14.419 4.319 1.00 0.00 C ATOM 209 OE1 GLU A 13 10.166 13.994 5.404 1.00 0.00 O ATOM 210 OE2 GLU A 13 9.716 15.604 4.046 1.00 0.00 O ATOM 0 H GLU A 13 6.079 10.430 2.753 1.00 0.00 H new ATOM 0 HA GLU A 13 8.186 11.988 1.610 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.394 13.253 3.873 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.453 12.060 4.598 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.298 12.741 3.048 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.240 13.917 2.295 1.00 0.00 H new ATOM 217 N ASN A 14 8.319 9.300 1.961 1.00 0.00 N ATOM 218 CA ASN A 14 8.933 7.949 2.139 1.00 0.00 C ATOM 219 C ASN A 14 9.554 7.440 0.827 1.00 0.00 C ATOM 220 O ASN A 14 10.409 6.580 0.856 1.00 0.00 O ATOM 221 CB ASN A 14 7.850 6.969 2.589 1.00 0.00 C ATOM 222 CG ASN A 14 7.854 6.859 4.115 1.00 0.00 C ATOM 223 OD1 ASN A 14 8.627 6.110 4.680 1.00 0.00 O ATOM 224 ND2 ASN A 14 7.018 7.579 4.812 1.00 0.00 N ATOM 0 H ASN A 14 7.730 9.401 1.134 1.00 0.00 H new ATOM 0 HA ASN A 14 9.723 8.024 2.887 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.874 7.307 2.242 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.025 5.990 2.144 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.014 7.513 5.830 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.369 8.208 4.339 1.00 0.00 H new ATOM 231 N PHE A 15 9.124 7.941 -0.318 1.00 0.00 N ATOM 232 CA PHE A 15 9.677 7.461 -1.636 1.00 0.00 C ATOM 233 C PHE A 15 11.206 7.377 -1.606 1.00 0.00 C ATOM 234 O PHE A 15 11.778 6.390 -2.026 1.00 0.00 O ATOM 235 CB PHE A 15 9.252 8.418 -2.759 1.00 0.00 C ATOM 236 CG PHE A 15 9.326 7.702 -4.094 1.00 0.00 C ATOM 237 CD1 PHE A 15 10.555 7.229 -4.574 1.00 0.00 C ATOM 238 CD2 PHE A 15 8.163 7.501 -4.847 1.00 0.00 C ATOM 239 CE1 PHE A 15 10.620 6.559 -5.800 1.00 0.00 C ATOM 240 CE2 PHE A 15 8.230 6.827 -6.073 1.00 0.00 C ATOM 241 CZ PHE A 15 9.460 6.355 -6.548 1.00 0.00 C ATOM 0 H PHE A 15 8.410 8.665 -0.395 1.00 0.00 H new ATOM 0 HA PHE A 15 9.278 6.463 -1.819 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.237 8.774 -2.582 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.900 9.294 -2.769 1.00 0.00 H new ATOM 0 HD1 PHE A 15 11.454 7.382 -3.996 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.214 7.866 -4.483 1.00 0.00 H new ATOM 0 HE1 PHE A 15 11.569 6.199 -6.168 1.00 0.00 H new ATOM 0 HE2 PHE A 15 7.332 6.671 -6.653 1.00 0.00 H new ATOM 0 HZ PHE A 15 9.511 5.834 -7.492 1.00 0.00 H new ATOM 251 N GLU A 16 11.867 8.387 -1.127 1.00 0.00 N ATOM 252 CA GLU A 16 13.355 8.342 -1.090 1.00 0.00 C ATOM 253 C GLU A 16 13.793 7.325 -0.050 1.00 0.00 C ATOM 254 O GLU A 16 14.739 6.587 -0.254 1.00 0.00 O ATOM 255 CB GLU A 16 13.911 9.723 -0.742 1.00 0.00 C ATOM 256 CG GLU A 16 13.334 10.765 -1.704 1.00 0.00 C ATOM 257 CD GLU A 16 13.829 12.157 -1.307 1.00 0.00 C ATOM 258 OE1 GLU A 16 14.959 12.257 -0.856 1.00 0.00 O ATOM 259 OE2 GLU A 16 13.071 13.100 -1.461 1.00 0.00 O ATOM 0 H GLU A 16 11.446 9.241 -0.760 1.00 0.00 H new ATOM 0 HA GLU A 16 13.738 8.051 -2.068 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.655 9.981 0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 16 14.999 9.715 -0.808 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.636 10.538 -2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.245 10.734 -1.679 1.00 0.00 H new ATOM 266 N GLU A 17 13.090 7.250 1.049 1.00 0.00 N ATOM 267 CA GLU A 17 13.437 6.243 2.091 1.00 0.00 C ATOM 268 C GLU A 17 13.354 4.839 1.471 1.00 0.00 C ATOM 269 O GLU A 17 13.950 3.903 1.961 1.00 0.00 O ATOM 270 CB GLU A 17 12.442 6.351 3.245 1.00 0.00 C ATOM 271 CG GLU A 17 13.030 5.698 4.494 1.00 0.00 C ATOM 272 CD GLU A 17 12.121 5.974 5.693 1.00 0.00 C ATOM 273 OE1 GLU A 17 12.295 7.008 6.317 1.00 0.00 O ATOM 274 OE2 GLU A 17 11.267 5.148 5.967 1.00 0.00 O ATOM 0 H GLU A 17 12.290 7.844 1.269 1.00 0.00 H new ATOM 0 HA GLU A 17 14.445 6.422 2.464 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.213 7.398 3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.504 5.865 2.976 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.132 4.624 4.341 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.029 6.089 4.685 1.00 0.00 H new ATOM 281 N LEU A 18 12.620 4.699 0.387 1.00 0.00 N ATOM 282 CA LEU A 18 12.489 3.379 -0.281 1.00 0.00 C ATOM 283 C LEU A 18 13.751 3.080 -1.058 1.00 0.00 C ATOM 284 O LEU A 18 14.287 1.997 -0.982 1.00 0.00 O ATOM 285 CB LEU A 18 11.319 3.394 -1.270 1.00 0.00 C ATOM 286 CG LEU A 18 10.116 4.195 -0.761 1.00 0.00 C ATOM 287 CD1 LEU A 18 8.923 3.860 -1.639 1.00 0.00 C ATOM 288 CD2 LEU A 18 9.761 3.864 0.687 1.00 0.00 C ATOM 0 H LEU A 18 12.105 5.457 -0.060 1.00 0.00 H new ATOM 0 HA LEU A 18 12.317 2.623 0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.656 3.817 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.007 2.369 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 18 10.373 5.254 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.051 4.418 -1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.144 4.129 -2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.716 2.792 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.902 4.460 0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.517 2.805 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.611 4.091 1.331 1.00 0.00 H new ATOM 300 N LEU A 19 14.233 4.030 -1.807 1.00 0.00 N ATOM 301 CA LEU A 19 15.473 3.781 -2.580 1.00 0.00 C ATOM 302 C LEU A 19 16.705 3.990 -1.674 1.00 0.00 C ATOM 303 O LEU A 19 17.833 3.896 -2.116 1.00 0.00 O ATOM 304 CB LEU A 19 15.526 4.719 -3.796 1.00 0.00 C ATOM 305 CG LEU A 19 14.229 4.626 -4.648 1.00 0.00 C ATOM 306 CD1 LEU A 19 13.558 3.240 -4.545 1.00 0.00 C ATOM 307 CD2 LEU A 19 13.244 5.705 -4.188 1.00 0.00 C ATOM 0 H LEU A 19 13.825 4.959 -1.915 1.00 0.00 H new ATOM 0 HA LEU A 19 15.477 2.751 -2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.667 5.746 -3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.387 4.466 -4.414 1.00 0.00 H new ATOM 0 HG LEU A 19 14.507 4.778 -5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.657 3.226 -5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 19 14.249 2.474 -4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.294 3.040 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.333 5.643 -4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.002 5.552 -3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.696 6.689 -4.317 1.00 0.00 H new ATOM 319 N LYS A 20 16.489 4.266 -0.405 1.00 0.00 N ATOM 320 CA LYS A 20 17.610 4.471 0.545 1.00 0.00 C ATOM 321 C LYS A 20 17.738 3.241 1.454 1.00 0.00 C ATOM 322 O LYS A 20 18.796 2.946 1.977 1.00 0.00 O ATOM 323 CB LYS A 20 17.290 5.697 1.400 1.00 0.00 C ATOM 324 CG LYS A 20 17.865 6.947 0.738 1.00 0.00 C ATOM 325 CD LYS A 20 17.962 8.075 1.767 1.00 0.00 C ATOM 326 CE LYS A 20 19.208 7.876 2.632 1.00 0.00 C ATOM 327 NZ LYS A 20 20.329 8.690 2.084 1.00 0.00 N ATOM 0 H LYS A 20 15.561 4.357 0.010 1.00 0.00 H new ATOM 0 HA LYS A 20 18.544 4.617 0.003 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.211 5.799 1.518 1.00 0.00 H new ATOM 0 HB3 LYS A 20 17.710 5.576 2.399 1.00 0.00 H new ATOM 0 HG2 LYS A 20 18.851 6.732 0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 20 17.232 7.254 -0.094 1.00 0.00 H new ATOM 0 HD2 LYS A 20 18.009 9.039 1.261 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.070 8.087 2.394 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.000 8.170 3.661 1.00 0.00 H new ATOM 0 HE3 LYS A 20 19.486 6.822 2.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 21.176 8.555 2.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 20.532 8.389 1.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 20.062 9.695 2.087 1.00 0.00 H new ATOM 341 N VAL A 21 16.657 2.529 1.640 1.00 0.00 N ATOM 342 CA VAL A 21 16.668 1.321 2.503 1.00 0.00 C ATOM 343 C VAL A 21 16.797 0.079 1.622 1.00 0.00 C ATOM 344 O VAL A 21 17.378 -0.915 2.015 1.00 0.00 O ATOM 345 CB VAL A 21 15.365 1.273 3.302 1.00 0.00 C ATOM 346 CG1 VAL A 21 15.267 2.522 4.176 1.00 0.00 C ATOM 347 CG2 VAL A 21 14.159 1.215 2.357 1.00 0.00 C ATOM 0 H VAL A 21 15.752 2.742 1.220 1.00 0.00 H new ATOM 0 HA VAL A 21 17.511 1.354 3.194 1.00 0.00 H new ATOM 0 HB VAL A 21 15.364 0.379 3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.340 2.494 4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.115 2.555 4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.276 3.410 3.544 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.240 1.181 2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.152 2.100 1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.226 0.322 1.735 1.00 0.00 H new ATOM 357 N LEU A 22 16.288 0.148 0.414 1.00 0.00 N ATOM 358 CA LEU A 22 16.410 -1.004 -0.522 1.00 0.00 C ATOM 359 C LEU A 22 17.905 -1.261 -0.788 1.00 0.00 C ATOM 360 O LEU A 22 18.289 -2.320 -1.246 1.00 0.00 O ATOM 361 CB LEU A 22 15.600 -0.705 -1.824 1.00 0.00 C ATOM 362 CG LEU A 22 16.406 -0.007 -2.956 1.00 0.00 C ATOM 363 CD1 LEU A 22 17.282 1.135 -2.428 1.00 0.00 C ATOM 364 CD2 LEU A 22 17.280 -1.034 -3.675 1.00 0.00 C ATOM 0 H LEU A 22 15.793 0.957 0.040 1.00 0.00 H new ATOM 0 HA LEU A 22 15.988 -1.913 -0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.201 -1.644 -2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.747 -0.078 -1.567 1.00 0.00 H new ATOM 0 HG LEU A 22 15.686 0.426 -3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 22 17.825 1.590 -3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 22 16.652 1.886 -1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.993 0.742 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 22 17.843 -0.541 -4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 22 17.972 -1.484 -2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.649 -1.810 -4.107 1.00 0.00 H new ATOM 376 N GLY A 23 18.749 -0.291 -0.491 1.00 0.00 N ATOM 377 CA GLY A 23 20.195 -0.464 -0.709 1.00 0.00 C ATOM 378 C GLY A 23 20.705 0.634 -1.619 1.00 0.00 C ATOM 379 O GLY A 23 20.976 0.408 -2.783 1.00 0.00 O ATOM 0 H GLY A 23 18.478 0.613 -0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 23 20.723 -0.435 0.244 1.00 0.00 H new ATOM 0 HA3 GLY A 23 20.392 -1.440 -1.153 1.00 0.00 H new ATOM 383 N VAL A 24 20.833 1.828 -1.098 1.00 0.00 N ATOM 384 CA VAL A 24 21.330 2.974 -1.924 1.00 0.00 C ATOM 385 C VAL A 24 22.604 2.561 -2.699 1.00 0.00 C ATOM 386 O VAL A 24 23.441 1.830 -2.206 1.00 0.00 O ATOM 387 CB VAL A 24 21.568 4.196 -0.989 1.00 0.00 C ATOM 388 CG1 VAL A 24 23.057 4.576 -0.859 1.00 0.00 C ATOM 389 CG2 VAL A 24 20.805 5.406 -1.537 1.00 0.00 C ATOM 0 H VAL A 24 20.613 2.061 -0.130 1.00 0.00 H new ATOM 0 HA VAL A 24 20.590 3.258 -2.672 1.00 0.00 H new ATOM 0 HB VAL A 24 21.212 3.911 0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 24 23.157 5.434 -0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 24 23.613 3.733 -0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 24 23.455 4.830 -1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 24 20.968 6.265 -0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 24 21.163 5.638 -2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 24 19.740 5.177 -1.576 1.00 0.00 H new ATOM 399 N ASN A 25 22.723 3.028 -3.904 1.00 0.00 N ATOM 400 CA ASN A 25 23.899 2.692 -4.756 1.00 0.00 C ATOM 401 C ASN A 25 23.686 3.402 -6.081 1.00 0.00 C ATOM 402 O ASN A 25 23.346 2.795 -7.075 1.00 0.00 O ATOM 403 CB ASN A 25 23.975 1.177 -4.975 1.00 0.00 C ATOM 404 CG ASN A 25 25.433 0.763 -5.184 1.00 0.00 C ATOM 405 OD1 ASN A 25 26.218 0.775 -4.257 1.00 0.00 O ATOM 406 ND2 ASN A 25 25.830 0.395 -6.372 1.00 0.00 N ATOM 0 H ASN A 25 22.041 3.643 -4.348 1.00 0.00 H new ATOM 0 HA ASN A 25 24.831 3.005 -4.286 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.557 0.653 -4.115 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.378 0.894 -5.842 1.00 0.00 H new ATOM 0 HD21 ASN A 25 26.800 0.117 -6.522 1.00 0.00 H new ATOM 0 HD22 ASN A 25 25.170 0.385 -7.150 1.00 0.00 H new ATOM 413 N VAL A 26 23.821 4.709 -6.050 1.00 0.00 N ATOM 414 CA VAL A 26 23.580 5.589 -7.240 1.00 0.00 C ATOM 415 C VAL A 26 22.110 6.015 -7.251 1.00 0.00 C ATOM 416 O VAL A 26 21.752 6.985 -7.893 1.00 0.00 O ATOM 417 CB VAL A 26 23.935 4.919 -8.578 1.00 0.00 C ATOM 418 CG1 VAL A 26 23.833 5.955 -9.693 1.00 0.00 C ATOM 419 CG2 VAL A 26 25.362 4.370 -8.516 1.00 0.00 C ATOM 0 H VAL A 26 24.100 5.221 -5.213 1.00 0.00 H new ATOM 0 HA VAL A 26 24.239 6.452 -7.143 1.00 0.00 H new ATOM 0 HB VAL A 26 23.245 4.098 -8.773 1.00 0.00 H new ATOM 0 HG11 VAL A 26 24.083 5.489 -10.646 1.00 0.00 H new ATOM 0 HG12 VAL A 26 22.816 6.345 -9.735 1.00 0.00 H new ATOM 0 HG13 VAL A 26 24.527 6.772 -9.495 1.00 0.00 H new ATOM 0 HG21 VAL A 26 25.611 3.896 -9.465 1.00 0.00 H new ATOM 0 HG22 VAL A 26 26.058 5.187 -8.325 1.00 0.00 H new ATOM 0 HG23 VAL A 26 25.435 3.636 -7.714 1.00 0.00 H new ATOM 429 N MET A 27 21.256 5.339 -6.503 1.00 0.00 N ATOM 430 CA MET A 27 19.833 5.753 -6.432 1.00 0.00 C ATOM 431 C MET A 27 19.831 7.128 -5.782 1.00 0.00 C ATOM 432 O MET A 27 19.394 8.106 -6.358 1.00 0.00 O ATOM 433 CB MET A 27 19.050 4.773 -5.546 1.00 0.00 C ATOM 434 CG MET A 27 19.335 3.315 -5.954 1.00 0.00 C ATOM 435 SD MET A 27 17.938 2.651 -6.900 1.00 0.00 S ATOM 436 CE MET A 27 18.904 1.904 -8.236 1.00 0.00 C ATOM 0 H MET A 27 21.496 4.520 -5.944 1.00 0.00 H new ATOM 0 HA MET A 27 19.371 5.767 -7.419 1.00 0.00 H new ATOM 0 HB2 MET A 27 19.323 4.923 -4.502 1.00 0.00 H new ATOM 0 HB3 MET A 27 17.982 4.976 -5.628 1.00 0.00 H new ATOM 0 HG2 MET A 27 20.245 3.267 -6.552 1.00 0.00 H new ATOM 0 HG3 MET A 27 19.505 2.707 -5.066 1.00 0.00 H new ATOM 0 HE1 MET A 27 18.231 1.428 -8.949 1.00 0.00 H new ATOM 0 HE2 MET A 27 19.482 2.677 -8.743 1.00 0.00 H new ATOM 0 HE3 MET A 27 19.581 1.157 -7.822 1.00 0.00 H new ATOM 446 N LEU A 28 20.369 7.209 -4.586 1.00 0.00 N ATOM 447 CA LEU A 28 20.456 8.518 -3.880 1.00 0.00 C ATOM 448 C LEU A 28 19.069 9.159 -3.830 1.00 0.00 C ATOM 449 O LEU A 28 18.825 10.197 -4.415 1.00 0.00 O ATOM 450 CB LEU A 28 21.453 9.399 -4.641 1.00 0.00 C ATOM 451 CG LEU A 28 22.675 9.717 -3.765 1.00 0.00 C ATOM 452 CD1 LEU A 28 22.233 10.434 -2.486 1.00 0.00 C ATOM 453 CD2 LEU A 28 23.397 8.418 -3.396 1.00 0.00 C ATOM 0 H LEU A 28 20.752 6.417 -4.070 1.00 0.00 H new ATOM 0 HA LEU A 28 20.801 8.392 -2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 28 21.774 8.892 -5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 28 20.967 10.326 -4.947 1.00 0.00 H new ATOM 0 HG LEU A 28 23.351 10.365 -4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 28 23.106 10.655 -1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 28 21.728 11.364 -2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 28 21.550 9.794 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 28 24.263 8.647 -2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 28 22.717 7.768 -2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 28 23.725 7.914 -4.305 1.00 0.00 H new ATOM 465 N ARG A 29 18.145 8.509 -3.161 1.00 0.00 N ATOM 466 CA ARG A 29 16.748 9.032 -3.096 1.00 0.00 C ATOM 467 C ARG A 29 16.190 9.139 -4.523 1.00 0.00 C ATOM 468 O ARG A 29 15.248 9.867 -4.769 1.00 0.00 O ATOM 469 CB ARG A 29 16.747 10.418 -2.440 1.00 0.00 C ATOM 470 CG ARG A 29 17.390 10.338 -1.046 1.00 0.00 C ATOM 471 CD ARG A 29 18.703 11.126 -1.033 1.00 0.00 C ATOM 472 NE ARG A 29 18.430 12.552 -1.365 1.00 0.00 N ATOM 473 CZ ARG A 29 19.090 13.502 -0.760 1.00 0.00 C ATOM 474 NH1 ARG A 29 20.394 13.483 -0.746 1.00 0.00 N ATOM 475 NH2 ARG A 29 18.445 14.471 -0.170 1.00 0.00 N ATOM 0 H ARG A 29 18.302 7.636 -2.657 1.00 0.00 H new ATOM 0 HA ARG A 29 16.129 8.357 -2.506 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.295 11.125 -3.063 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.726 10.790 -2.358 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.707 10.739 -0.297 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.577 9.297 -0.781 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.173 11.053 -0.052 1.00 0.00 H new ATOM 0 HD3 ARG A 29 19.402 10.701 -1.754 1.00 0.00 H new ATOM 0 HE ARG A 29 17.727 12.786 -2.066 1.00 0.00 H new ATOM 0 HH11 ARG A 29 20.898 12.726 -1.208 1.00 0.00 H new ATOM 0 HH12 ARG A 29 20.910 14.225 -0.273 1.00 0.00 H new ATOM 0 HH21 ARG A 29 17.425 14.486 -0.182 1.00 0.00 H new ATOM 0 HH22 ARG A 29 18.961 15.213 0.303 1.00 0.00 H new ATOM 489 N LYS A 30 16.784 8.413 -5.463 1.00 0.00 N ATOM 490 CA LYS A 30 16.349 8.439 -6.900 1.00 0.00 C ATOM 491 C LYS A 30 15.974 9.864 -7.328 1.00 0.00 C ATOM 492 O LYS A 30 14.820 10.171 -7.527 1.00 0.00 O ATOM 493 CB LYS A 30 15.165 7.487 -7.091 1.00 0.00 C ATOM 494 CG LYS A 30 15.636 6.214 -7.804 1.00 0.00 C ATOM 495 CD LYS A 30 14.438 5.516 -8.449 1.00 0.00 C ATOM 496 CE LYS A 30 14.935 4.465 -9.444 1.00 0.00 C ATOM 497 NZ LYS A 30 13.771 3.721 -10.004 1.00 0.00 N ATOM 0 H LYS A 30 17.571 7.791 -5.280 1.00 0.00 H new ATOM 0 HA LYS A 30 17.176 8.110 -7.529 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.730 7.234 -6.124 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.384 7.975 -7.675 1.00 0.00 H new ATOM 0 HG2 LYS A 30 16.377 6.463 -8.563 1.00 0.00 H new ATOM 0 HG3 LYS A 30 16.121 5.545 -7.093 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.822 5.045 -7.683 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.809 6.246 -8.959 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.494 4.945 -10.247 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.618 3.774 -8.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.108 3.007 -10.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.256 3.251 -9.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.136 4.385 -10.490 1.00 0.00 H new ATOM 511 N ILE A 31 16.958 10.732 -7.438 1.00 0.00 N ATOM 512 CA ILE A 31 16.702 12.166 -7.828 1.00 0.00 C ATOM 513 C ILE A 31 15.741 12.252 -9.029 1.00 0.00 C ATOM 514 O ILE A 31 16.154 12.236 -10.172 1.00 0.00 O ATOM 515 CB ILE A 31 18.033 12.838 -8.183 1.00 0.00 C ATOM 516 CG1 ILE A 31 19.002 12.732 -6.993 1.00 0.00 C ATOM 517 CG2 ILE A 31 17.800 14.317 -8.516 1.00 0.00 C ATOM 518 CD1 ILE A 31 20.398 12.359 -7.498 1.00 0.00 C ATOM 0 H ILE A 31 17.939 10.507 -7.273 1.00 0.00 H new ATOM 0 HA ILE A 31 16.238 12.678 -6.985 1.00 0.00 H new ATOM 0 HB ILE A 31 18.462 12.335 -9.050 1.00 0.00 H new ATOM 0 HG12 ILE A 31 19.040 13.680 -6.457 1.00 0.00 H new ATOM 0 HG13 ILE A 31 18.647 11.981 -6.288 1.00 0.00 H new ATOM 0 HG21 ILE A 31 18.751 14.788 -8.767 1.00 0.00 H new ATOM 0 HG22 ILE A 31 17.120 14.396 -9.365 1.00 0.00 H new ATOM 0 HG23 ILE A 31 17.363 14.820 -7.653 1.00 0.00 H new ATOM 0 HD11 ILE A 31 21.083 12.285 -6.653 1.00 0.00 H new ATOM 0 HD12 ILE A 31 20.354 11.400 -8.015 1.00 0.00 H new ATOM 0 HD13 ILE A 31 20.753 13.126 -8.186 1.00 0.00 H new ATOM 530 N ALA A 32 14.461 12.342 -8.753 1.00 0.00 N ATOM 531 CA ALA A 32 13.413 12.428 -9.823 1.00 0.00 C ATOM 532 C ALA A 32 12.067 12.089 -9.183 1.00 0.00 C ATOM 533 O ALA A 32 11.112 12.837 -9.270 1.00 0.00 O ATOM 534 CB ALA A 32 13.690 11.421 -10.950 1.00 0.00 C ATOM 0 H ALA A 32 14.089 12.360 -7.804 1.00 0.00 H new ATOM 0 HA ALA A 32 13.415 13.431 -10.251 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.915 11.505 -11.712 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.662 11.632 -11.396 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.690 10.410 -10.543 1.00 0.00 H new ATOM 540 N VAL A 33 12.001 10.957 -8.532 1.00 0.00 N ATOM 541 CA VAL A 33 10.743 10.527 -7.861 1.00 0.00 C ATOM 542 C VAL A 33 10.393 11.501 -6.732 1.00 0.00 C ATOM 543 O VAL A 33 11.011 12.536 -6.578 1.00 0.00 O ATOM 544 CB VAL A 33 10.954 9.129 -7.281 1.00 0.00 C ATOM 545 CG1 VAL A 33 11.203 8.139 -8.420 1.00 0.00 C ATOM 546 CG2 VAL A 33 12.162 9.136 -6.335 1.00 0.00 C ATOM 0 H VAL A 33 12.779 10.304 -8.437 1.00 0.00 H new ATOM 0 HA VAL A 33 9.926 10.516 -8.582 1.00 0.00 H new ATOM 0 HB VAL A 33 10.065 8.831 -6.725 1.00 0.00 H new ATOM 0 HG11 VAL A 33 11.354 7.141 -8.008 1.00 0.00 H new ATOM 0 HG12 VAL A 33 10.342 8.129 -9.088 1.00 0.00 H new ATOM 0 HG13 VAL A 33 12.091 8.440 -8.976 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.308 8.137 -5.924 1.00 0.00 H new ATOM 0 HG22 VAL A 33 13.054 9.436 -6.886 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.984 9.840 -5.522 1.00 0.00 H new ATOM 556 N ALA A 34 9.406 11.164 -5.938 1.00 0.00 N ATOM 557 CA ALA A 34 8.996 12.049 -4.804 1.00 0.00 C ATOM 558 C ALA A 34 8.477 13.383 -5.344 1.00 0.00 C ATOM 559 O ALA A 34 9.188 14.117 -6.003 1.00 0.00 O ATOM 560 CB ALA A 34 10.194 12.302 -3.881 1.00 0.00 C ATOM 0 H ALA A 34 8.862 10.306 -6.028 1.00 0.00 H new ATOM 0 HA ALA A 34 8.204 11.556 -4.241 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.889 12.947 -3.057 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.554 11.353 -3.484 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.992 12.786 -4.445 1.00 0.00 H new ATOM 566 N ALA A 35 7.237 13.701 -5.062 1.00 0.00 N ATOM 567 CA ALA A 35 6.650 14.989 -5.545 1.00 0.00 C ATOM 568 C ALA A 35 6.715 15.051 -7.074 1.00 0.00 C ATOM 569 O ALA A 35 6.829 16.115 -7.655 1.00 0.00 O ATOM 570 CB ALA A 35 7.432 16.163 -4.953 1.00 0.00 C ATOM 0 H ALA A 35 6.603 13.119 -4.514 1.00 0.00 H new ATOM 0 HA ALA A 35 5.609 15.048 -5.228 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.003 17.101 -5.306 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.377 16.125 -3.865 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.474 16.100 -5.266 1.00 0.00 H new ATOM 576 N ALA A 36 6.639 13.920 -7.727 1.00 0.00 N ATOM 577 CA ALA A 36 6.693 13.905 -9.219 1.00 0.00 C ATOM 578 C ALA A 36 5.277 14.051 -9.780 1.00 0.00 C ATOM 579 O ALA A 36 5.078 14.600 -10.848 1.00 0.00 O ATOM 580 CB ALA A 36 7.297 12.583 -9.696 1.00 0.00 C ATOM 0 H ALA A 36 6.542 13.004 -7.290 1.00 0.00 H new ATOM 0 HA ALA A 36 7.311 14.732 -9.569 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.336 12.573 -10.785 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.305 12.478 -9.296 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.680 11.754 -9.347 1.00 0.00 H new ATOM 586 N SER A 37 4.294 13.562 -9.067 1.00 0.00 N ATOM 587 CA SER A 37 2.887 13.667 -9.551 1.00 0.00 C ATOM 588 C SER A 37 1.931 13.620 -8.357 1.00 0.00 C ATOM 589 O SER A 37 2.347 13.694 -7.215 1.00 0.00 O ATOM 590 CB SER A 37 2.583 12.500 -10.491 1.00 0.00 C ATOM 591 OG SER A 37 3.524 12.500 -11.556 1.00 0.00 O ATOM 0 H SER A 37 4.407 13.093 -8.168 1.00 0.00 H new ATOM 0 HA SER A 37 2.757 14.608 -10.085 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.632 11.557 -9.947 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.570 12.589 -10.885 1.00 0.00 H new ATOM 0 HG SER A 37 3.334 11.752 -12.160 1.00 0.00 H new ATOM 597 N LYS A 38 0.654 13.498 -8.615 1.00 0.00 N ATOM 598 CA LYS A 38 -0.340 13.446 -7.504 1.00 0.00 C ATOM 599 C LYS A 38 -1.035 12.072 -7.502 1.00 0.00 C ATOM 600 O LYS A 38 -2.072 11.920 -8.117 1.00 0.00 O ATOM 601 CB LYS A 38 -1.385 14.545 -7.706 1.00 0.00 C ATOM 602 CG LYS A 38 -0.778 15.901 -7.342 1.00 0.00 C ATOM 603 CD LYS A 38 -1.636 17.021 -7.935 1.00 0.00 C ATOM 604 CE LYS A 38 -2.803 17.329 -6.994 1.00 0.00 C ATOM 605 NZ LYS A 38 -4.030 17.598 -7.796 1.00 0.00 N ATOM 0 H LYS A 38 0.257 13.432 -9.552 1.00 0.00 H new ATOM 0 HA LYS A 38 0.169 13.597 -6.552 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.724 14.553 -8.742 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.260 14.348 -7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.721 16.007 -6.259 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.241 15.969 -7.723 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.031 17.915 -8.085 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.014 16.724 -8.913 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.973 16.489 -6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.565 18.192 -6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.823 17.807 -7.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.865 18.413 -8.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.259 16.762 -8.370 1.00 0.00 H new ATOM 619 N PRO A 39 -0.455 11.102 -6.814 1.00 0.00 N ATOM 620 CA PRO A 39 -1.033 9.748 -6.743 1.00 0.00 C ATOM 621 C PRO A 39 -2.206 9.717 -5.760 1.00 0.00 C ATOM 622 O PRO A 39 -2.068 10.074 -4.605 1.00 0.00 O ATOM 623 CB PRO A 39 0.126 8.882 -6.240 1.00 0.00 C ATOM 624 CG PRO A 39 1.105 9.837 -5.519 1.00 0.00 C ATOM 625 CD PRO A 39 0.810 11.252 -6.050 1.00 0.00 C ATOM 0 HA PRO A 39 -1.429 9.403 -7.698 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -0.233 8.109 -5.561 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.619 8.374 -7.069 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.966 9.792 -4.439 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.139 9.556 -5.719 1.00 0.00 H new ATOM 0 HD2 PRO A 39 0.700 11.968 -5.235 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.618 11.615 -6.686 1.00 0.00 H new ATOM 633 N ALA A 40 -3.358 9.294 -6.213 1.00 0.00 N ATOM 634 CA ALA A 40 -4.548 9.237 -5.315 1.00 0.00 C ATOM 635 C ALA A 40 -5.049 7.795 -5.219 1.00 0.00 C ATOM 636 O ALA A 40 -4.424 6.878 -5.718 1.00 0.00 O ATOM 637 CB ALA A 40 -5.658 10.122 -5.885 1.00 0.00 C ATOM 0 H ALA A 40 -3.525 8.985 -7.170 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.270 9.592 -4.323 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.528 10.081 -5.230 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.304 11.150 -5.954 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.934 9.766 -6.877 1.00 0.00 H new ATOM 643 N VAL A 41 -6.174 7.592 -4.581 1.00 0.00 N ATOM 644 CA VAL A 41 -6.727 6.213 -4.447 1.00 0.00 C ATOM 645 C VAL A 41 -8.245 6.291 -4.269 1.00 0.00 C ATOM 646 O VAL A 41 -8.809 7.360 -4.116 1.00 0.00 O ATOM 647 CB VAL A 41 -6.064 5.510 -3.232 1.00 0.00 C ATOM 648 CG1 VAL A 41 -6.756 5.883 -1.914 1.00 0.00 C ATOM 649 CG2 VAL A 41 -6.117 3.986 -3.416 1.00 0.00 C ATOM 0 H VAL A 41 -6.734 8.325 -4.146 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.512 5.633 -5.345 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.028 5.846 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.264 5.371 -1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.694 6.961 -1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.803 5.582 -1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.650 3.500 -2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.156 3.665 -3.494 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.583 3.711 -4.325 1.00 0.00 H new ATOM 659 N GLU A 42 -8.894 5.164 -4.250 1.00 0.00 N ATOM 660 CA GLU A 42 -10.361 5.150 -4.038 1.00 0.00 C ATOM 661 C GLU A 42 -10.756 3.794 -3.473 1.00 0.00 C ATOM 662 O GLU A 42 -10.630 2.777 -4.128 1.00 0.00 O ATOM 663 CB GLU A 42 -11.090 5.416 -5.354 1.00 0.00 C ATOM 664 CG GLU A 42 -10.653 4.389 -6.397 1.00 0.00 C ATOM 665 CD GLU A 42 -10.865 4.962 -7.800 1.00 0.00 C ATOM 666 OE1 GLU A 42 -9.960 5.614 -8.295 1.00 0.00 O ATOM 667 OE2 GLU A 42 -11.928 4.740 -8.355 1.00 0.00 O ATOM 0 H GLU A 42 -8.466 4.246 -4.373 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.641 5.935 -3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.168 5.360 -5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.870 6.424 -5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.603 4.133 -6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.225 3.469 -6.278 1.00 0.00 H new ATOM 674 N ILE A 43 -11.214 3.774 -2.251 1.00 0.00 N ATOM 675 CA ILE A 43 -11.597 2.489 -1.624 1.00 0.00 C ATOM 676 C ILE A 43 -13.106 2.300 -1.717 1.00 0.00 C ATOM 677 O ILE A 43 -13.875 3.240 -1.660 1.00 0.00 O ATOM 678 CB ILE A 43 -11.137 2.478 -0.169 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.623 2.715 -0.133 1.00 0.00 C ATOM 680 CG2 ILE A 43 -11.459 1.123 0.469 1.00 0.00 C ATOM 681 CD1 ILE A 43 -9.134 2.801 1.314 1.00 0.00 C ATOM 0 H ILE A 43 -11.338 4.598 -1.663 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.115 1.664 -2.149 1.00 0.00 H new ATOM 0 HB ILE A 43 -11.653 3.261 0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.109 1.905 -0.650 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.379 3.636 -0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.128 1.122 1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -12.534 0.949 0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.944 0.332 -0.077 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.057 2.969 1.325 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.635 3.627 1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.360 1.868 1.831 1.00 0.00 H new ATOM 693 N LYS A 44 -13.515 1.081 -1.880 1.00 0.00 N ATOM 694 CA LYS A 44 -14.958 0.762 -2.006 1.00 0.00 C ATOM 695 C LYS A 44 -15.190 -0.537 -1.242 1.00 0.00 C ATOM 696 O LYS A 44 -14.684 -1.573 -1.619 1.00 0.00 O ATOM 697 CB LYS A 44 -15.275 0.582 -3.494 1.00 0.00 C ATOM 698 CG LYS A 44 -14.794 1.814 -4.267 1.00 0.00 C ATOM 699 CD LYS A 44 -15.496 1.886 -5.621 1.00 0.00 C ATOM 700 CE LYS A 44 -15.117 0.675 -6.478 1.00 0.00 C ATOM 701 NZ LYS A 44 -16.318 0.195 -7.219 1.00 0.00 N ATOM 0 H LYS A 44 -12.896 0.272 -1.933 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.598 1.548 -1.605 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.787 -0.315 -3.876 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.347 0.446 -3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.000 2.717 -3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.714 1.766 -4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.576 1.916 -5.478 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.217 2.806 -6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.328 0.945 -7.179 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.723 -0.122 -5.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.061 -0.628 -7.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.058 -0.078 -6.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.674 0.955 -7.832 1.00 0.00 H new ATOM 715 N GLN A 45 -15.894 -0.492 -0.140 1.00 0.00 N ATOM 716 CA GLN A 45 -16.065 -1.743 0.653 1.00 0.00 C ATOM 717 C GLN A 45 -17.473 -1.898 1.224 1.00 0.00 C ATOM 718 O GLN A 45 -18.158 -0.942 1.528 1.00 0.00 O ATOM 719 CB GLN A 45 -15.057 -1.714 1.804 1.00 0.00 C ATOM 720 CG GLN A 45 -15.285 -0.469 2.667 1.00 0.00 C ATOM 721 CD GLN A 45 -16.105 -0.845 3.906 1.00 0.00 C ATOM 722 OE1 GLN A 45 -17.313 -0.369 4.049 1.00 0.00 O flip ATOM 723 NE2 GLN A 45 -15.641 -1.580 4.754 1.00 0.00 N flip ATOM 0 H GLN A 45 -16.349 0.339 0.238 1.00 0.00 H new ATOM 0 HA GLN A 45 -15.899 -2.590 -0.012 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.161 -2.613 2.412 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.041 -1.712 1.409 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -14.328 -0.042 2.968 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -15.807 0.295 2.091 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -14.698 -1.953 4.645 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -16.194 -1.824 5.575 1.00 0.00 H new ATOM 732 N GLU A 46 -17.879 -3.126 1.393 1.00 0.00 N ATOM 733 CA GLU A 46 -19.208 -3.434 1.972 1.00 0.00 C ATOM 734 C GLU A 46 -19.007 -4.491 3.064 1.00 0.00 C ATOM 735 O GLU A 46 -19.089 -5.680 2.812 1.00 0.00 O ATOM 736 CB GLU A 46 -20.121 -3.989 0.881 1.00 0.00 C ATOM 737 CG GLU A 46 -21.579 -3.807 1.299 1.00 0.00 C ATOM 738 CD GLU A 46 -22.488 -3.982 0.081 1.00 0.00 C ATOM 739 OE1 GLU A 46 -22.732 -5.117 -0.293 1.00 0.00 O ATOM 740 OE2 GLU A 46 -22.925 -2.977 -0.456 1.00 0.00 O ATOM 0 H GLU A 46 -17.327 -3.947 1.146 1.00 0.00 H new ATOM 0 HA GLU A 46 -19.665 -2.536 2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -19.934 -3.474 -0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -19.908 -5.045 0.715 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -21.841 -4.534 2.068 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -21.723 -2.818 1.733 1.00 0.00 H new ATOM 747 N GLY A 47 -18.715 -4.067 4.268 1.00 0.00 N ATOM 748 CA GLY A 47 -18.481 -5.043 5.376 1.00 0.00 C ATOM 749 C GLY A 47 -17.053 -5.587 5.271 1.00 0.00 C ATOM 750 O GLY A 47 -16.107 -4.835 5.131 1.00 0.00 O ATOM 0 H GLY A 47 -18.628 -3.086 4.532 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.629 -4.559 6.341 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.200 -5.860 5.316 1.00 0.00 H new ATOM 754 N ASP A 48 -16.890 -6.887 5.332 1.00 0.00 N ATOM 755 CA ASP A 48 -15.526 -7.479 5.230 1.00 0.00 C ATOM 756 C ASP A 48 -15.052 -7.495 3.771 1.00 0.00 C ATOM 757 O ASP A 48 -13.930 -7.875 3.491 1.00 0.00 O ATOM 758 CB ASP A 48 -15.553 -8.903 5.769 1.00 0.00 C ATOM 759 CG ASP A 48 -16.621 -9.714 5.033 1.00 0.00 C ATOM 760 OD1 ASP A 48 -16.292 -10.306 4.019 1.00 0.00 O ATOM 761 OD2 ASP A 48 -17.750 -9.728 5.496 1.00 0.00 O ATOM 0 H ASP A 48 -17.646 -7.562 5.448 1.00 0.00 H new ATOM 0 HA ASP A 48 -14.835 -6.872 5.815 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -14.576 -9.369 5.640 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -15.763 -8.893 6.838 1.00 0.00 H new ATOM 766 N THR A 49 -15.875 -7.070 2.842 1.00 0.00 N ATOM 767 CA THR A 49 -15.443 -7.045 1.419 1.00 0.00 C ATOM 768 C THR A 49 -14.815 -5.679 1.141 1.00 0.00 C ATOM 769 O THR A 49 -15.328 -4.665 1.568 1.00 0.00 O ATOM 770 CB THR A 49 -16.661 -7.245 0.516 1.00 0.00 C ATOM 771 OG1 THR A 49 -17.317 -8.455 0.869 1.00 0.00 O ATOM 772 CG2 THR A 49 -16.212 -7.315 -0.942 1.00 0.00 C ATOM 0 H THR A 49 -16.825 -6.741 3.013 1.00 0.00 H new ATOM 0 HA THR A 49 -14.723 -7.839 1.223 1.00 0.00 H new ATOM 0 HB THR A 49 -17.348 -6.408 0.642 1.00 0.00 H new ATOM 0 HG1 THR A 49 -18.099 -8.584 0.292 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.081 -7.458 -1.584 1.00 0.00 H new ATOM 0 HG22 THR A 49 -15.709 -6.387 -1.213 1.00 0.00 H new ATOM 0 HG23 THR A 49 -15.525 -8.151 -1.071 1.00 0.00 H new ATOM 780 N PHE A 50 -13.708 -5.636 0.448 1.00 0.00 N ATOM 781 CA PHE A 50 -13.066 -4.321 0.166 1.00 0.00 C ATOM 782 C PHE A 50 -12.530 -4.269 -1.266 1.00 0.00 C ATOM 783 O PHE A 50 -12.217 -5.272 -1.876 1.00 0.00 O ATOM 784 CB PHE A 50 -11.899 -4.089 1.132 1.00 0.00 C ATOM 785 CG PHE A 50 -12.400 -4.154 2.550 1.00 0.00 C ATOM 786 CD1 PHE A 50 -12.524 -5.390 3.180 1.00 0.00 C ATOM 787 CD2 PHE A 50 -12.754 -2.983 3.227 1.00 0.00 C ATOM 788 CE1 PHE A 50 -13.004 -5.463 4.486 1.00 0.00 C ATOM 789 CE2 PHE A 50 -13.232 -3.053 4.542 1.00 0.00 C ATOM 790 CZ PHE A 50 -13.358 -4.299 5.170 1.00 0.00 C ATOM 0 H PHE A 50 -13.224 -6.449 0.068 1.00 0.00 H new ATOM 0 HA PHE A 50 -13.822 -3.547 0.295 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.127 -4.841 0.973 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -11.442 -3.118 0.941 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.248 -6.293 2.656 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.659 -2.025 2.737 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -13.102 -6.423 4.971 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.502 -2.150 5.069 1.00 0.00 H new ATOM 0 HZ PHE A 50 -13.729 -4.359 6.183 1.00 0.00 H new ATOM 800 N TYR A 51 -12.395 -3.081 -1.773 1.00 0.00 N ATOM 801 CA TYR A 51 -11.847 -2.861 -3.136 1.00 0.00 C ATOM 802 C TYR A 51 -10.839 -1.725 -2.966 1.00 0.00 C ATOM 803 O TYR A 51 -11.022 -0.866 -2.122 1.00 0.00 O ATOM 804 CB TYR A 51 -13.015 -2.516 -4.096 1.00 0.00 C ATOM 805 CG TYR A 51 -12.617 -1.581 -5.226 1.00 0.00 C ATOM 806 CD1 TYR A 51 -12.414 -0.223 -4.970 1.00 0.00 C ATOM 807 CD2 TYR A 51 -12.511 -2.065 -6.532 1.00 0.00 C ATOM 808 CE1 TYR A 51 -12.108 0.651 -6.008 1.00 0.00 C ATOM 809 CE2 TYR A 51 -12.191 -1.186 -7.578 1.00 0.00 C ATOM 810 CZ TYR A 51 -11.993 0.173 -7.315 1.00 0.00 C ATOM 811 OH TYR A 51 -11.701 1.041 -8.347 1.00 0.00 O ATOM 0 H TYR A 51 -12.651 -2.224 -1.282 1.00 0.00 H new ATOM 0 HA TYR A 51 -11.355 -3.731 -3.572 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -13.410 -3.439 -4.521 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -13.822 -2.058 -3.524 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -12.495 0.151 -3.960 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -12.675 -3.113 -6.736 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -11.959 1.701 -5.803 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -12.098 -1.559 -8.587 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.842 1.964 -8.048 1.00 0.00 H new ATOM 821 N ILE A 52 -9.763 -1.727 -3.701 1.00 0.00 N ATOM 822 CA ILE A 52 -8.745 -0.649 -3.498 1.00 0.00 C ATOM 823 C ILE A 52 -8.074 -0.297 -4.823 1.00 0.00 C ATOM 824 O ILE A 52 -7.268 -1.049 -5.334 1.00 0.00 O ATOM 825 CB ILE A 52 -7.678 -1.128 -2.493 1.00 0.00 C ATOM 826 CG1 ILE A 52 -8.345 -1.914 -1.344 1.00 0.00 C ATOM 827 CG2 ILE A 52 -6.946 0.087 -1.922 1.00 0.00 C ATOM 828 CD1 ILE A 52 -7.299 -2.355 -0.315 1.00 0.00 C ATOM 0 H ILE A 52 -9.542 -2.414 -4.422 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.245 0.238 -3.108 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.971 -1.781 -3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -9.099 -1.293 -0.861 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.860 -2.787 -1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.190 -0.245 -1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.466 0.636 -2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.660 0.737 -1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.788 -2.908 0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.560 -2.995 -0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.803 -1.477 0.099 1.00 0.00 H new ATOM 840 N LYS A 53 -8.394 0.844 -5.383 1.00 0.00 N ATOM 841 CA LYS A 53 -7.765 1.234 -6.676 1.00 0.00 C ATOM 842 C LYS A 53 -6.807 2.409 -6.474 1.00 0.00 C ATOM 843 O LYS A 53 -7.212 3.557 -6.470 1.00 0.00 O ATOM 844 CB LYS A 53 -8.843 1.625 -7.683 1.00 0.00 C ATOM 845 CG LYS A 53 -8.213 1.736 -9.074 1.00 0.00 C ATOM 846 CD LYS A 53 -9.313 1.750 -10.136 1.00 0.00 C ATOM 847 CE LYS A 53 -9.954 3.138 -10.194 1.00 0.00 C ATOM 848 NZ LYS A 53 -10.387 3.430 -11.590 1.00 0.00 N ATOM 0 H LYS A 53 -9.060 1.516 -5.001 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.203 0.381 -7.056 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.639 0.881 -7.689 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.296 2.575 -7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.616 2.645 -9.142 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.538 0.898 -9.246 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.896 1.490 -11.109 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.068 0.999 -9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.809 3.183 -9.520 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.243 3.893 -9.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.823 4.374 -11.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.562 3.404 -12.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.079 2.717 -11.895 1.00 0.00 H new ATOM 862 N THR A 54 -5.537 2.125 -6.324 1.00 0.00 N ATOM 863 CA THR A 54 -4.531 3.213 -6.139 1.00 0.00 C ATOM 864 C THR A 54 -4.095 3.731 -7.505 1.00 0.00 C ATOM 865 O THR A 54 -3.124 3.264 -8.071 1.00 0.00 O ATOM 866 CB THR A 54 -3.316 2.665 -5.394 1.00 0.00 C ATOM 867 OG1 THR A 54 -3.737 2.048 -4.186 1.00 0.00 O ATOM 868 CG2 THR A 54 -2.349 3.808 -5.079 1.00 0.00 C ATOM 0 H THR A 54 -5.153 1.180 -6.322 1.00 0.00 H new ATOM 0 HA THR A 54 -4.974 4.025 -5.562 1.00 0.00 H new ATOM 0 HB THR A 54 -2.811 1.928 -6.018 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.957 1.695 -3.710 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.482 3.415 -4.547 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.023 4.276 -6.008 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.851 4.549 -4.457 1.00 0.00 H new ATOM 876 N SER A 55 -4.806 4.690 -8.040 1.00 0.00 N ATOM 877 CA SER A 55 -4.438 5.237 -9.373 1.00 0.00 C ATOM 878 C SER A 55 -4.008 6.699 -9.238 1.00 0.00 C ATOM 879 O SER A 55 -4.444 7.405 -8.348 1.00 0.00 O ATOM 880 CB SER A 55 -5.642 5.141 -10.313 1.00 0.00 C ATOM 881 OG SER A 55 -6.578 6.161 -9.989 1.00 0.00 O ATOM 0 H SER A 55 -5.626 5.116 -7.608 1.00 0.00 H new ATOM 0 HA SER A 55 -3.609 4.659 -9.781 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.318 5.245 -11.348 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.110 4.161 -10.223 1.00 0.00 H new ATOM 0 HG SER A 55 -7.349 6.101 -10.592 1.00 0.00 H new ATOM 887 N THR A 56 -3.158 7.155 -10.122 1.00 0.00 N ATOM 888 CA THR A 56 -2.691 8.571 -10.065 1.00 0.00 C ATOM 889 C THR A 56 -3.258 9.341 -11.261 1.00 0.00 C ATOM 890 O THR A 56 -3.487 10.534 -11.188 1.00 0.00 O ATOM 891 CB THR A 56 -1.161 8.612 -10.107 1.00 0.00 C ATOM 892 OG1 THR A 56 -0.728 9.958 -10.244 1.00 0.00 O ATOM 893 CG2 THR A 56 -0.657 7.789 -11.291 1.00 0.00 C ATOM 0 H THR A 56 -2.766 6.603 -10.885 1.00 0.00 H new ATOM 0 HA THR A 56 -3.037 9.030 -9.139 1.00 0.00 H new ATOM 0 HB THR A 56 -0.762 8.194 -9.183 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.273 10.537 -9.671 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.432 7.820 -11.318 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.988 6.756 -11.183 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.055 8.203 -12.217 1.00 0.00 H new ATOM 901 N THR A 57 -3.489 8.665 -12.359 1.00 0.00 N ATOM 902 CA THR A 57 -4.045 9.347 -13.565 1.00 0.00 C ATOM 903 C THR A 57 -4.696 8.307 -14.477 1.00 0.00 C ATOM 904 O THR A 57 -5.856 8.413 -14.827 1.00 0.00 O ATOM 905 CB THR A 57 -2.921 10.061 -14.321 1.00 0.00 C ATOM 906 OG1 THR A 57 -1.861 10.364 -13.425 1.00 0.00 O ATOM 907 CG2 THR A 57 -3.459 11.354 -14.935 1.00 0.00 C ATOM 0 H THR A 57 -3.315 7.666 -12.471 1.00 0.00 H new ATOM 0 HA THR A 57 -4.789 10.081 -13.256 1.00 0.00 H new ATOM 0 HB THR A 57 -2.549 9.412 -15.113 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.142 10.819 -13.911 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.659 11.862 -15.473 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.269 11.119 -15.626 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.834 12.004 -14.144 1.00 0.00 H new ATOM 915 N VAL A 58 -3.954 7.302 -14.860 1.00 0.00 N ATOM 916 CA VAL A 58 -4.514 6.241 -15.748 1.00 0.00 C ATOM 917 C VAL A 58 -5.551 5.422 -14.974 1.00 0.00 C ATOM 918 O VAL A 58 -5.900 5.748 -13.855 1.00 0.00 O ATOM 919 CB VAL A 58 -3.386 5.322 -16.217 1.00 0.00 C ATOM 920 CG1 VAL A 58 -2.446 6.097 -17.142 1.00 0.00 C ATOM 921 CG2 VAL A 58 -2.605 4.820 -15.002 1.00 0.00 C ATOM 0 H VAL A 58 -2.978 7.170 -14.594 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.989 6.704 -16.613 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.807 4.474 -16.757 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.642 5.441 -17.476 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.003 6.458 -18.007 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.023 6.945 -16.603 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.800 4.164 -15.333 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.184 5.669 -14.464 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.274 4.268 -14.342 1.00 0.00 H new ATOM 931 N ARG A 59 -6.043 4.362 -15.565 1.00 0.00 N ATOM 932 CA ARG A 59 -7.058 3.516 -14.871 1.00 0.00 C ATOM 933 C ARG A 59 -6.393 2.778 -13.706 1.00 0.00 C ATOM 934 O ARG A 59 -6.933 2.709 -12.619 1.00 0.00 O ATOM 935 CB ARG A 59 -7.638 2.501 -15.864 1.00 0.00 C ATOM 936 CG ARG A 59 -9.153 2.395 -15.668 1.00 0.00 C ATOM 937 CD ARG A 59 -9.823 3.673 -16.178 1.00 0.00 C ATOM 938 NE ARG A 59 -11.303 3.527 -16.091 1.00 0.00 N ATOM 939 CZ ARG A 59 -12.075 4.545 -16.361 1.00 0.00 C ATOM 940 NH1 ARG A 59 -12.107 5.571 -15.555 1.00 0.00 N ATOM 941 NH2 ARG A 59 -12.814 4.536 -17.436 1.00 0.00 N ATOM 0 H ARG A 59 -5.784 4.047 -16.500 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.861 4.145 -14.488 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.414 2.809 -16.886 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.173 1.526 -15.716 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.540 1.529 -16.205 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -9.385 2.246 -14.613 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.496 4.528 -15.587 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.526 3.866 -17.209 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.713 2.633 -15.821 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.529 5.578 -14.715 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.710 6.366 -15.766 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.789 3.734 -18.066 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.417 5.331 -17.647 1.00 0.00 H new ATOM 955 N THR A 60 -5.220 2.235 -13.929 1.00 0.00 N ATOM 956 CA THR A 60 -4.493 1.502 -12.848 1.00 0.00 C ATOM 957 C THR A 60 -5.326 0.302 -12.379 1.00 0.00 C ATOM 958 O THR A 60 -6.534 0.280 -12.514 1.00 0.00 O ATOM 959 CB THR A 60 -4.238 2.454 -11.677 1.00 0.00 C ATOM 960 OG1 THR A 60 -3.535 3.597 -12.145 1.00 0.00 O ATOM 961 CG2 THR A 60 -3.408 1.751 -10.601 1.00 0.00 C ATOM 0 H THR A 60 -4.732 2.270 -14.824 1.00 0.00 H new ATOM 0 HA THR A 60 -3.540 1.137 -13.232 1.00 0.00 H new ATOM 0 HB THR A 60 -5.193 2.758 -11.248 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.757 3.760 -11.572 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.232 2.436 -9.772 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.947 0.875 -10.240 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.453 1.440 -11.024 1.00 0.00 H new ATOM 969 N THR A 61 -4.681 -0.700 -11.834 1.00 0.00 N ATOM 970 CA THR A 61 -5.421 -1.906 -11.356 1.00 0.00 C ATOM 971 C THR A 61 -5.840 -1.707 -9.897 1.00 0.00 C ATOM 972 O THR A 61 -5.432 -0.761 -9.249 1.00 0.00 O ATOM 973 CB THR A 61 -4.517 -3.136 -11.467 1.00 0.00 C ATOM 974 OG1 THR A 61 -5.175 -4.260 -10.898 1.00 0.00 O ATOM 975 CG2 THR A 61 -3.209 -2.878 -10.722 1.00 0.00 C ATOM 0 H THR A 61 -3.670 -0.733 -11.700 1.00 0.00 H new ATOM 0 HA THR A 61 -6.310 -2.052 -11.969 1.00 0.00 H new ATOM 0 HB THR A 61 -4.302 -3.335 -12.517 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.597 -5.048 -10.970 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.566 -3.754 -10.802 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.705 -2.017 -11.160 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.422 -2.678 -9.672 1.00 0.00 H new ATOM 983 N GLU A 62 -6.655 -2.592 -9.379 1.00 0.00 N ATOM 984 CA GLU A 62 -7.110 -2.464 -7.964 1.00 0.00 C ATOM 985 C GLU A 62 -7.338 -3.859 -7.373 1.00 0.00 C ATOM 986 O GLU A 62 -7.610 -4.801 -8.095 1.00 0.00 O ATOM 987 CB GLU A 62 -8.425 -1.674 -7.922 1.00 0.00 C ATOM 988 CG GLU A 62 -9.496 -2.375 -8.769 1.00 0.00 C ATOM 989 CD GLU A 62 -10.238 -3.425 -7.930 1.00 0.00 C ATOM 990 OE1 GLU A 62 -10.117 -3.392 -6.715 1.00 0.00 O ATOM 991 OE2 GLU A 62 -10.919 -4.246 -8.522 1.00 0.00 O ATOM 0 H GLU A 62 -7.025 -3.400 -9.879 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.350 -1.942 -7.383 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.769 -1.582 -6.892 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.262 -0.663 -8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.204 -1.640 -9.153 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.032 -2.852 -9.632 1.00 0.00 H new ATOM 998 N ILE A 63 -7.260 -3.996 -6.070 1.00 0.00 N ATOM 999 CA ILE A 63 -7.509 -5.331 -5.455 1.00 0.00 C ATOM 1000 C ILE A 63 -8.965 -5.415 -5.029 1.00 0.00 C ATOM 1001 O ILE A 63 -9.355 -4.910 -3.993 1.00 0.00 O ATOM 1002 CB ILE A 63 -6.599 -5.600 -4.243 1.00 0.00 C ATOM 1003 CG1 ILE A 63 -6.443 -4.342 -3.376 1.00 0.00 C ATOM 1004 CG2 ILE A 63 -5.235 -6.063 -4.743 1.00 0.00 C ATOM 1005 CD1 ILE A 63 -5.600 -4.661 -2.137 1.00 0.00 C ATOM 0 H ILE A 63 -7.037 -3.247 -5.415 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.281 -6.090 -6.203 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.053 -6.374 -3.625 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.969 -3.548 -3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.424 -3.974 -3.074 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.582 -6.256 -3.892 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.352 -6.977 -5.326 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.795 -5.287 -5.369 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.494 -3.763 -1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.091 -5.440 -1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.614 -5.007 -2.447 1.00 0.00 H new ATOM 1017 N ASN A 64 -9.767 -6.068 -5.822 1.00 0.00 N ATOM 1018 CA ASN A 64 -11.206 -6.227 -5.462 1.00 0.00 C ATOM 1019 C ASN A 64 -11.329 -7.539 -4.698 1.00 0.00 C ATOM 1020 O ASN A 64 -11.752 -8.555 -5.218 1.00 0.00 O ATOM 1021 CB ASN A 64 -12.125 -6.239 -6.703 1.00 0.00 C ATOM 1022 CG ASN A 64 -11.469 -6.921 -7.924 1.00 0.00 C ATOM 1023 OD1 ASN A 64 -10.637 -7.919 -7.771 1.00 0.00 O flip ATOM 1024 ND2 ASN A 64 -11.728 -6.534 -9.046 1.00 0.00 N flip ATOM 0 H ASN A 64 -9.490 -6.499 -6.704 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.527 -5.379 -4.858 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -13.053 -6.756 -6.458 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.390 -5.214 -6.963 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.375 -5.757 -9.181 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.299 -6.986 -9.853 1.00 0.00 H new ATOM 1031 N PHE A 65 -10.907 -7.518 -3.473 1.00 0.00 N ATOM 1032 CA PHE A 65 -10.910 -8.749 -2.643 1.00 0.00 C ATOM 1033 C PHE A 65 -11.896 -8.610 -1.476 1.00 0.00 C ATOM 1034 O PHE A 65 -12.762 -7.765 -1.470 1.00 0.00 O ATOM 1035 CB PHE A 65 -9.471 -8.934 -2.098 1.00 0.00 C ATOM 1036 CG PHE A 65 -9.162 -7.848 -1.070 1.00 0.00 C ATOM 1037 CD1 PHE A 65 -8.777 -6.571 -1.496 1.00 0.00 C ATOM 1038 CD2 PHE A 65 -9.311 -8.106 0.301 1.00 0.00 C ATOM 1039 CE1 PHE A 65 -8.540 -5.560 -0.569 1.00 0.00 C ATOM 1040 CE2 PHE A 65 -9.078 -7.089 1.232 1.00 0.00 C ATOM 1041 CZ PHE A 65 -8.694 -5.814 0.798 1.00 0.00 C ATOM 0 H PHE A 65 -10.553 -6.686 -3.001 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.219 -9.609 -3.237 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.369 -9.919 -1.642 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.753 -8.887 -2.917 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.663 -6.369 -2.551 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.605 -9.089 0.637 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.237 -4.579 -0.905 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.194 -7.287 2.287 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.517 -5.028 1.517 1.00 0.00 H new ATOM 1051 N LYS A 66 -11.711 -9.428 -0.481 1.00 0.00 N ATOM 1052 CA LYS A 66 -12.537 -9.386 0.744 1.00 0.00 C ATOM 1053 C LYS A 66 -11.627 -9.888 1.854 1.00 0.00 C ATOM 1054 O LYS A 66 -11.097 -10.979 1.773 1.00 0.00 O ATOM 1055 CB LYS A 66 -13.769 -10.284 0.609 1.00 0.00 C ATOM 1056 CG LYS A 66 -13.388 -11.629 -0.025 1.00 0.00 C ATOM 1057 CD LYS A 66 -13.883 -12.781 0.855 1.00 0.00 C ATOM 1058 CE LYS A 66 -15.404 -12.900 0.734 1.00 0.00 C ATOM 1059 NZ LYS A 66 -15.780 -13.021 -0.702 1.00 0.00 N ATOM 0 H LYS A 66 -10.991 -10.151 -0.472 1.00 0.00 H new ATOM 0 HA LYS A 66 -12.911 -8.382 0.943 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -14.214 -10.451 1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.523 -9.788 -0.002 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -13.824 -11.708 -1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -12.306 -11.691 -0.145 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -13.409 -13.714 0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -13.603 -12.605 1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -15.757 -13.770 1.288 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.884 -12.026 1.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -16.687 -13.524 -0.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.873 -12.072 -1.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -15.044 -13.551 -1.210 1.00 0.00 H new ATOM 1073 N VAL A 67 -11.390 -9.080 2.856 1.00 0.00 N ATOM 1074 CA VAL A 67 -10.452 -9.468 3.961 1.00 0.00 C ATOM 1075 C VAL A 67 -10.691 -10.918 4.410 1.00 0.00 C ATOM 1076 O VAL A 67 -11.799 -11.421 4.381 1.00 0.00 O ATOM 1077 CB VAL A 67 -10.633 -8.510 5.139 1.00 0.00 C ATOM 1078 CG1 VAL A 67 -9.677 -8.902 6.269 1.00 0.00 C ATOM 1079 CG2 VAL A 67 -10.300 -7.088 4.690 1.00 0.00 C ATOM 0 H VAL A 67 -11.810 -8.156 2.959 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.429 -9.401 3.590 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.664 -8.562 5.489 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.806 -8.219 7.108 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.894 -9.920 6.593 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.649 -8.847 5.911 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.428 -6.403 5.528 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.267 -7.048 4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.967 -6.797 3.878 1.00 0.00 H new ATOM 1089 N GLY A 68 -9.639 -11.587 4.790 1.00 0.00 N ATOM 1090 CA GLY A 68 -9.752 -13.010 5.207 1.00 0.00 C ATOM 1091 C GLY A 68 -9.278 -13.915 4.057 1.00 0.00 C ATOM 1092 O GLY A 68 -9.477 -15.115 4.088 1.00 0.00 O ATOM 0 H GLY A 68 -8.695 -11.203 4.829 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -9.150 -13.189 6.098 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -10.784 -13.244 5.468 1.00 0.00 H new ATOM 1096 N GLU A 69 -8.652 -13.351 3.041 1.00 0.00 N ATOM 1097 CA GLU A 69 -8.171 -14.182 1.900 1.00 0.00 C ATOM 1098 C GLU A 69 -6.894 -13.569 1.314 1.00 0.00 C ATOM 1099 O GLU A 69 -6.378 -12.582 1.812 1.00 0.00 O ATOM 1100 CB GLU A 69 -9.253 -14.246 0.819 1.00 0.00 C ATOM 1101 CG GLU A 69 -9.627 -12.828 0.377 1.00 0.00 C ATOM 1102 CD GLU A 69 -8.967 -12.514 -0.969 1.00 0.00 C ATOM 1103 OE1 GLU A 69 -7.813 -12.118 -0.962 1.00 0.00 O ATOM 1104 OE2 GLU A 69 -9.627 -12.675 -1.982 1.00 0.00 O ATOM 0 H GLU A 69 -8.458 -12.353 2.961 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.955 -15.189 2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.894 -14.820 -0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.133 -14.762 1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.710 -12.737 0.292 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.305 -12.106 1.128 1.00 0.00 H new ATOM 1111 N GLU A 70 -6.375 -14.162 0.268 1.00 0.00 N ATOM 1112 CA GLU A 70 -5.117 -13.639 -0.351 1.00 0.00 C ATOM 1113 C GLU A 70 -5.302 -13.289 -1.823 1.00 0.00 C ATOM 1114 O GLU A 70 -6.310 -13.574 -2.440 1.00 0.00 O ATOM 1115 CB GLU A 70 -3.997 -14.695 -0.284 1.00 0.00 C ATOM 1116 CG GLU A 70 -4.546 -16.102 -0.509 1.00 0.00 C ATOM 1117 CD GLU A 70 -5.039 -16.251 -1.950 1.00 0.00 C ATOM 1118 OE1 GLU A 70 -4.342 -15.799 -2.843 1.00 0.00 O ATOM 1119 OE2 GLU A 70 -6.105 -16.815 -2.135 1.00 0.00 O ATOM 0 H GLU A 70 -6.768 -14.987 -0.185 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.856 -12.744 0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.240 -14.473 -1.036 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.505 -14.645 0.688 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.771 -16.840 -0.304 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.364 -16.297 0.185 1.00 0.00 H new ATOM 1126 N PHE A 71 -4.268 -12.729 -2.390 1.00 0.00 N ATOM 1127 CA PHE A 71 -4.254 -12.398 -3.836 1.00 0.00 C ATOM 1128 C PHE A 71 -3.022 -13.084 -4.411 1.00 0.00 C ATOM 1129 O PHE A 71 -2.328 -13.806 -3.719 1.00 0.00 O ATOM 1130 CB PHE A 71 -4.112 -10.883 -4.107 1.00 0.00 C ATOM 1131 CG PHE A 71 -4.763 -10.017 -3.045 1.00 0.00 C ATOM 1132 CD1 PHE A 71 -5.972 -10.386 -2.446 1.00 0.00 C ATOM 1133 CD2 PHE A 71 -4.150 -8.808 -2.689 1.00 0.00 C ATOM 1134 CE1 PHE A 71 -6.559 -9.545 -1.488 1.00 0.00 C ATOM 1135 CE2 PHE A 71 -4.744 -7.969 -1.743 1.00 0.00 C ATOM 1136 CZ PHE A 71 -5.942 -8.334 -1.144 1.00 0.00 C ATOM 0 H PHE A 71 -3.412 -12.482 -1.894 1.00 0.00 H new ATOM 0 HA PHE A 71 -5.195 -12.722 -4.281 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -3.054 -10.631 -4.172 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -4.555 -10.652 -5.076 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -6.452 -11.314 -2.720 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.215 -8.524 -3.148 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -7.487 -9.831 -1.015 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.271 -7.035 -1.477 1.00 0.00 H new ATOM 0 HZ PHE A 71 -6.399 -7.684 -0.412 1.00 0.00 H new ATOM 1146 N GLU A 72 -2.728 -12.839 -5.649 1.00 0.00 N ATOM 1147 CA GLU A 72 -1.515 -13.448 -6.258 1.00 0.00 C ATOM 1148 C GLU A 72 -0.726 -12.367 -6.972 1.00 0.00 C ATOM 1149 O GLU A 72 -1.264 -11.350 -7.368 1.00 0.00 O ATOM 1150 CB GLU A 72 -1.893 -14.528 -7.258 1.00 0.00 C ATOM 1151 CG GLU A 72 -2.837 -15.523 -6.594 1.00 0.00 C ATOM 1152 CD GLU A 72 -3.603 -16.299 -7.667 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -4.417 -15.691 -8.343 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -3.364 -17.489 -7.794 1.00 0.00 O ATOM 0 H GLU A 72 -3.274 -12.242 -6.271 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.917 -13.900 -5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.372 -14.081 -8.129 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.998 -15.040 -7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.272 -16.212 -5.966 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.535 -14.998 -5.943 1.00 0.00 H new ATOM 1161 N GLU A 73 0.543 -12.584 -7.139 1.00 0.00 N ATOM 1162 CA GLU A 73 1.389 -11.569 -7.831 1.00 0.00 C ATOM 1163 C GLU A 73 2.749 -12.165 -8.184 1.00 0.00 C ATOM 1164 O GLU A 73 2.996 -13.339 -7.996 1.00 0.00 O ATOM 1165 CB GLU A 73 1.588 -10.361 -6.910 1.00 0.00 C ATOM 1166 CG GLU A 73 0.537 -9.295 -7.226 1.00 0.00 C ATOM 1167 CD GLU A 73 1.120 -7.907 -6.954 1.00 0.00 C ATOM 1168 OE1 GLU A 73 2.215 -7.645 -7.423 1.00 0.00 O ATOM 1169 OE2 GLU A 73 0.461 -7.131 -6.283 1.00 0.00 O ATOM 0 H GLU A 73 1.036 -13.421 -6.827 1.00 0.00 H new ATOM 0 HA GLU A 73 0.890 -11.258 -8.749 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.506 -10.669 -5.868 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.589 -9.950 -7.044 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.227 -9.373 -8.268 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.352 -9.454 -6.616 1.00 0.00 H new ATOM 1176 N GLN A 74 3.627 -11.347 -8.696 1.00 0.00 N ATOM 1177 CA GLN A 74 4.992 -11.825 -9.072 1.00 0.00 C ATOM 1178 C GLN A 74 6.021 -10.766 -8.669 1.00 0.00 C ATOM 1179 O GLN A 74 5.829 -9.587 -8.904 1.00 0.00 O ATOM 1180 CB GLN A 74 5.061 -12.045 -10.583 1.00 0.00 C ATOM 1181 CG GLN A 74 4.254 -13.290 -10.957 1.00 0.00 C ATOM 1182 CD GLN A 74 3.777 -13.175 -12.406 1.00 0.00 C ATOM 1183 OE1 GLN A 74 4.396 -13.707 -13.306 1.00 0.00 O ATOM 1184 NE2 GLN A 74 2.693 -12.498 -12.672 1.00 0.00 N ATOM 0 H GLN A 74 3.457 -10.357 -8.873 1.00 0.00 H new ATOM 0 HA GLN A 74 5.204 -12.764 -8.560 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.668 -11.173 -11.106 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.098 -12.164 -10.897 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.867 -14.183 -10.835 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.399 -13.396 -10.289 1.00 0.00 H new ATOM 0 HE21 GLN A 74 2.173 -12.051 -11.917 1.00 0.00 H new ATOM 0 HE22 GLN A 74 2.366 -12.416 -13.635 1.00 0.00 H new ATOM 1193 N THR A 75 7.108 -11.173 -8.060 1.00 0.00 N ATOM 1194 CA THR A 75 8.145 -10.184 -7.637 1.00 0.00 C ATOM 1195 C THR A 75 8.866 -9.641 -8.878 1.00 0.00 C ATOM 1196 O THR A 75 8.357 -9.716 -9.980 1.00 0.00 O ATOM 1197 CB THR A 75 9.159 -10.852 -6.696 1.00 0.00 C ATOM 1198 OG1 THR A 75 8.571 -11.995 -6.094 1.00 0.00 O ATOM 1199 CG2 THR A 75 9.579 -9.864 -5.604 1.00 0.00 C ATOM 0 H THR A 75 7.321 -12.146 -7.838 1.00 0.00 H new ATOM 0 HA THR A 75 7.663 -9.362 -7.107 1.00 0.00 H new ATOM 0 HB THR A 75 10.035 -11.153 -7.271 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.124 -12.783 -6.279 1.00 0.00 H new ATOM 0 HG21 THR A 75 10.298 -10.341 -4.938 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.036 -8.987 -6.063 1.00 0.00 H new ATOM 0 HG23 THR A 75 8.702 -9.559 -5.032 1.00 0.00 H new ATOM 1207 N VAL A 76 10.041 -9.086 -8.705 1.00 0.00 N ATOM 1208 CA VAL A 76 10.795 -8.526 -9.867 1.00 0.00 C ATOM 1209 C VAL A 76 11.695 -9.606 -10.470 1.00 0.00 C ATOM 1210 O VAL A 76 11.507 -10.024 -11.597 1.00 0.00 O ATOM 1211 CB VAL A 76 11.659 -7.351 -9.406 1.00 0.00 C ATOM 1212 CG1 VAL A 76 12.147 -6.568 -10.626 1.00 0.00 C ATOM 1213 CG2 VAL A 76 10.841 -6.424 -8.500 1.00 0.00 C ATOM 0 H VAL A 76 10.511 -8.997 -7.804 1.00 0.00 H new ATOM 0 HA VAL A 76 10.084 -8.183 -10.618 1.00 0.00 H new ATOM 0 HB VAL A 76 12.514 -7.733 -8.849 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.763 -5.730 -10.298 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.737 -7.223 -11.267 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.289 -6.191 -11.184 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.463 -5.590 -8.176 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.981 -6.043 -9.051 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.496 -6.979 -7.628 1.00 0.00 H new ATOM 1223 N ASP A 77 12.675 -10.056 -9.727 1.00 0.00 N ATOM 1224 CA ASP A 77 13.599 -11.105 -10.250 1.00 0.00 C ATOM 1225 C ASP A 77 13.951 -12.083 -9.127 1.00 0.00 C ATOM 1226 O ASP A 77 14.587 -11.722 -8.155 1.00 0.00 O ATOM 1227 CB ASP A 77 14.877 -10.443 -10.771 1.00 0.00 C ATOM 1228 CG ASP A 77 15.477 -9.558 -9.677 1.00 0.00 C ATOM 1229 OD1 ASP A 77 15.100 -8.400 -9.606 1.00 0.00 O ATOM 1230 OD2 ASP A 77 16.303 -10.053 -8.928 1.00 0.00 O ATOM 0 H ASP A 77 12.874 -9.740 -8.778 1.00 0.00 H new ATOM 0 HA ASP A 77 13.113 -11.646 -11.062 1.00 0.00 H new ATOM 0 HB2 ASP A 77 15.596 -11.204 -11.073 1.00 0.00 H new ATOM 0 HB3 ASP A 77 14.655 -9.846 -11.655 1.00 0.00 H new ATOM 1235 N GLY A 78 13.539 -13.318 -9.257 1.00 0.00 N ATOM 1236 CA GLY A 78 13.840 -14.332 -8.205 1.00 0.00 C ATOM 1237 C GLY A 78 12.707 -15.357 -8.159 1.00 0.00 C ATOM 1238 O GLY A 78 12.756 -16.378 -8.818 1.00 0.00 O ATOM 0 H GLY A 78 13.004 -13.668 -10.052 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.787 -14.827 -8.420 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.948 -13.847 -7.235 1.00 0.00 H new ATOM 1242 N ARG A 79 11.685 -15.085 -7.389 1.00 0.00 N ATOM 1243 CA ARG A 79 10.537 -16.032 -7.298 1.00 0.00 C ATOM 1244 C ARG A 79 9.227 -15.228 -7.361 1.00 0.00 C ATOM 1245 O ARG A 79 9.267 -14.016 -7.337 1.00 0.00 O ATOM 1246 CB ARG A 79 10.616 -16.800 -5.970 1.00 0.00 C ATOM 1247 CG ARG A 79 10.983 -18.263 -6.237 1.00 0.00 C ATOM 1248 CD ARG A 79 11.468 -18.915 -4.941 1.00 0.00 C ATOM 1249 NE ARG A 79 12.747 -18.281 -4.514 1.00 0.00 N ATOM 1250 CZ ARG A 79 13.883 -18.875 -4.756 1.00 0.00 C ATOM 1251 NH1 ARG A 79 14.031 -20.141 -4.475 1.00 0.00 N ATOM 1252 NH2 ARG A 79 14.872 -18.203 -5.279 1.00 0.00 N ATOM 0 H ARG A 79 11.597 -14.244 -6.818 1.00 0.00 H new ATOM 0 HA ARG A 79 10.570 -16.744 -8.123 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.360 -16.342 -5.318 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.660 -16.745 -5.450 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.118 -18.801 -6.625 1.00 0.00 H new ATOM 0 HG3 ARG A 79 11.761 -18.320 -6.998 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.715 -18.802 -4.161 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.613 -19.985 -5.092 1.00 0.00 H new ATOM 0 HE ARG A 79 12.734 -17.382 -4.032 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.258 -20.666 -4.066 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.919 -20.605 -4.664 1.00 0.00 H new ATOM 0 HH21 ARG A 79 14.757 -17.214 -5.498 1.00 0.00 H new ATOM 0 HH22 ARG A 79 15.760 -18.667 -5.468 1.00 0.00 H new ATOM 1266 N PRO A 80 8.098 -15.909 -7.436 1.00 0.00 N ATOM 1267 CA PRO A 80 6.793 -15.231 -7.494 1.00 0.00 C ATOM 1268 C PRO A 80 6.404 -14.728 -6.102 1.00 0.00 C ATOM 1269 O PRO A 80 7.167 -14.849 -5.160 1.00 0.00 O ATOM 1270 CB PRO A 80 5.835 -16.319 -7.980 1.00 0.00 C ATOM 1271 CG PRO A 80 6.501 -17.673 -7.640 1.00 0.00 C ATOM 1272 CD PRO A 80 8.006 -17.392 -7.469 1.00 0.00 C ATOM 0 HA PRO A 80 6.787 -14.358 -8.147 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.865 -16.230 -7.490 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.660 -16.231 -9.052 1.00 0.00 H new ATOM 0 HG2 PRO A 80 6.079 -18.094 -6.727 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.330 -18.399 -8.435 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.392 -17.836 -6.551 1.00 0.00 H new ATOM 0 HD3 PRO A 80 8.585 -17.809 -8.293 1.00 0.00 H new ATOM 1280 N CYS A 81 5.231 -14.163 -5.963 1.00 0.00 N ATOM 1281 CA CYS A 81 4.805 -13.651 -4.628 1.00 0.00 C ATOM 1282 C CYS A 81 3.301 -13.392 -4.598 1.00 0.00 C ATOM 1283 O CYS A 81 2.710 -12.930 -5.552 1.00 0.00 O ATOM 1284 CB CYS A 81 5.548 -12.347 -4.312 1.00 0.00 C ATOM 1285 SG CYS A 81 5.254 -11.131 -5.621 1.00 0.00 S ATOM 0 H CYS A 81 4.553 -14.035 -6.714 1.00 0.00 H new ATOM 0 HA CYS A 81 5.046 -14.407 -3.881 1.00 0.00 H new ATOM 0 HB2 CYS A 81 5.211 -11.950 -3.354 1.00 0.00 H new ATOM 0 HB3 CYS A 81 6.616 -12.541 -4.219 1.00 0.00 H new ATOM 0 HG CYS A 81 4.022 -11.219 -6.027 1.00 0.00 H new ATOM 1291 N LYS A 82 2.700 -13.678 -3.482 1.00 0.00 N ATOM 1292 CA LYS A 82 1.242 -13.456 -3.308 1.00 0.00 C ATOM 1293 C LYS A 82 1.042 -12.448 -2.179 1.00 0.00 C ATOM 1294 O LYS A 82 1.981 -11.830 -1.712 1.00 0.00 O ATOM 1295 CB LYS A 82 0.575 -14.780 -2.943 1.00 0.00 C ATOM 1296 CG LYS A 82 1.231 -15.372 -1.682 1.00 0.00 C ATOM 1297 CD LYS A 82 0.658 -16.770 -1.376 1.00 0.00 C ATOM 1298 CE LYS A 82 -0.872 -16.772 -1.498 1.00 0.00 C ATOM 1299 NZ LYS A 82 -1.459 -17.709 -0.497 1.00 0.00 N ATOM 0 H LYS A 82 3.169 -14.066 -2.664 1.00 0.00 H new ATOM 0 HA LYS A 82 0.800 -13.075 -4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.490 -14.624 -2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.664 -15.482 -3.772 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.310 -15.439 -1.824 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.062 -14.710 -0.833 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.083 -17.501 -2.064 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.947 -17.074 -0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.260 -15.766 -1.339 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.165 -17.071 -2.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.282 -18.190 -0.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.747 -18.416 -0.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.758 -17.176 0.344 1.00 0.00 H new ATOM 1313 N SER A 83 -0.170 -12.275 -1.749 1.00 0.00 N ATOM 1314 CA SER A 83 -0.455 -11.301 -0.654 1.00 0.00 C ATOM 1315 C SER A 83 -1.578 -11.820 0.226 1.00 0.00 C ATOM 1316 O SER A 83 -2.114 -12.871 -0.016 1.00 0.00 O ATOM 1317 CB SER A 83 -0.899 -9.987 -1.280 1.00 0.00 C ATOM 1318 OG SER A 83 -1.908 -10.264 -2.249 1.00 0.00 O ATOM 0 H SER A 83 -0.987 -12.769 -2.109 1.00 0.00 H new ATOM 0 HA SER A 83 0.442 -11.161 -0.051 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.284 -9.314 -0.514 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.052 -9.485 -1.748 1.00 0.00 H new ATOM 0 HG SER A 83 -2.733 -9.795 -2.005 1.00 0.00 H new ATOM 1324 N LEU A 84 -1.947 -11.074 1.235 1.00 0.00 N ATOM 1325 CA LEU A 84 -3.071 -11.521 2.119 1.00 0.00 C ATOM 1326 C LEU A 84 -3.466 -10.410 3.085 1.00 0.00 C ATOM 1327 O LEU A 84 -2.686 -9.990 3.913 1.00 0.00 O ATOM 1328 CB LEU A 84 -2.666 -12.770 2.899 1.00 0.00 C ATOM 1329 CG LEU A 84 -3.855 -13.733 2.948 1.00 0.00 C ATOM 1330 CD1 LEU A 84 -3.350 -15.165 3.102 1.00 0.00 C ATOM 1331 CD2 LEU A 84 -4.763 -13.378 4.120 1.00 0.00 C ATOM 0 H LEU A 84 -1.524 -10.181 1.486 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.929 -11.759 1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.811 -13.251 2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.358 -12.500 3.909 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.422 -13.649 2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.199 -15.848 3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.714 -15.419 2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.777 -15.251 4.025 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.607 -14.067 4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.201 -13.453 5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.131 -12.359 4.000 1.00 0.00 H new ATOM 1343 N VAL A 85 -4.684 -9.938 2.974 1.00 0.00 N ATOM 1344 CA VAL A 85 -5.159 -8.841 3.867 1.00 0.00 C ATOM 1345 C VAL A 85 -5.781 -9.417 5.147 1.00 0.00 C ATOM 1346 O VAL A 85 -6.316 -10.508 5.166 1.00 0.00 O ATOM 1347 CB VAL A 85 -6.183 -7.980 3.099 1.00 0.00 C ATOM 1348 CG1 VAL A 85 -6.888 -6.991 4.044 1.00 0.00 C ATOM 1349 CG2 VAL A 85 -5.446 -7.193 2.014 1.00 0.00 C ATOM 0 H VAL A 85 -5.372 -10.269 2.298 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.314 -8.219 4.163 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.935 -8.635 2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.605 -6.396 3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.411 -7.544 4.825 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.148 -6.332 4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.158 -6.579 1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.696 -6.551 2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.958 -7.887 1.329 1.00 0.00 H new ATOM 1359 N LYS A 86 -5.708 -8.660 6.212 1.00 0.00 N ATOM 1360 CA LYS A 86 -6.280 -9.102 7.511 1.00 0.00 C ATOM 1361 C LYS A 86 -6.582 -7.866 8.368 1.00 0.00 C ATOM 1362 O LYS A 86 -6.621 -6.759 7.875 1.00 0.00 O ATOM 1363 CB LYS A 86 -5.259 -9.989 8.220 1.00 0.00 C ATOM 1364 CG LYS A 86 -5.768 -11.429 8.277 1.00 0.00 C ATOM 1365 CD LYS A 86 -6.717 -11.595 9.464 1.00 0.00 C ATOM 1366 CE LYS A 86 -8.131 -11.187 9.049 1.00 0.00 C ATOM 1367 NZ LYS A 86 -9.125 -11.921 9.883 1.00 0.00 N ATOM 0 H LYS A 86 -5.268 -7.740 6.232 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.201 -9.663 7.351 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.305 -9.952 7.694 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.081 -9.617 9.229 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.283 -11.679 7.350 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.929 -12.118 8.371 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.711 -12.630 9.805 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.381 -10.982 10.300 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.261 -10.112 9.171 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.290 -11.410 7.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.087 -11.644 9.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.005 -12.945 9.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.977 -11.687 10.886 1.00 0.00 H new ATOM 1381 N TRP A 87 -6.801 -8.055 9.641 1.00 0.00 N ATOM 1382 CA TRP A 87 -7.101 -6.901 10.546 1.00 0.00 C ATOM 1383 C TRP A 87 -6.117 -6.865 11.708 1.00 0.00 C ATOM 1384 O TRP A 87 -5.269 -7.723 11.860 1.00 0.00 O ATOM 1385 CB TRP A 87 -8.489 -7.062 11.127 1.00 0.00 C ATOM 1386 CG TRP A 87 -9.458 -7.045 10.025 1.00 0.00 C ATOM 1387 CD1 TRP A 87 -10.021 -8.134 9.492 1.00 0.00 C ATOM 1388 CD2 TRP A 87 -9.968 -5.905 9.296 1.00 0.00 C ATOM 1389 NE1 TRP A 87 -10.886 -7.740 8.503 1.00 0.00 N ATOM 1390 CE2 TRP A 87 -10.881 -6.372 8.336 1.00 0.00 C ATOM 1391 CE3 TRP A 87 -9.737 -4.522 9.379 1.00 0.00 C ATOM 1392 CZ2 TRP A 87 -11.548 -5.505 7.484 1.00 0.00 C ATOM 1393 CZ3 TRP A 87 -10.404 -3.642 8.516 1.00 0.00 C ATOM 1394 CH2 TRP A 87 -11.311 -4.135 7.570 1.00 0.00 C ATOM 0 H TRP A 87 -6.785 -8.966 10.099 1.00 0.00 H new ATOM 0 HA TRP A 87 -7.025 -5.983 9.963 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.562 -7.998 11.681 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -8.701 -6.257 11.831 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.827 -9.154 9.790 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -11.462 -8.381 7.958 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -9.043 -4.135 10.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -12.248 -5.890 6.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -10.218 -2.580 8.581 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -11.826 -3.454 6.908 1.00 0.00 H new ATOM 1405 N GLU A 88 -6.259 -5.876 12.543 1.00 0.00 N ATOM 1406 CA GLU A 88 -5.381 -5.741 13.739 1.00 0.00 C ATOM 1407 C GLU A 88 -6.273 -5.439 14.936 1.00 0.00 C ATOM 1408 O GLU A 88 -6.213 -6.086 15.964 1.00 0.00 O ATOM 1409 CB GLU A 88 -4.403 -4.575 13.563 1.00 0.00 C ATOM 1410 CG GLU A 88 -3.786 -4.582 12.156 1.00 0.00 C ATOM 1411 CD GLU A 88 -2.259 -4.647 12.254 1.00 0.00 C ATOM 1412 OE1 GLU A 88 -1.763 -5.568 12.882 1.00 0.00 O ATOM 1413 OE2 GLU A 88 -1.612 -3.774 11.698 1.00 0.00 O ATOM 0 H GLU A 88 -6.960 -5.141 12.446 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.813 -6.661 13.878 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.922 -3.632 13.732 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.613 -4.642 14.311 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.159 -5.436 11.591 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.086 -3.685 11.614 1.00 0.00 H new ATOM 1420 N SER A 89 -7.102 -4.445 14.790 1.00 0.00 N ATOM 1421 CA SER A 89 -8.026 -4.044 15.880 1.00 0.00 C ATOM 1422 C SER A 89 -9.464 -4.112 15.368 1.00 0.00 C ATOM 1423 O SER A 89 -10.327 -4.726 15.961 1.00 0.00 O ATOM 1424 CB SER A 89 -7.710 -2.603 16.278 1.00 0.00 C ATOM 1425 OG SER A 89 -7.600 -1.811 15.095 1.00 0.00 O ATOM 0 H SER A 89 -7.178 -3.883 13.942 1.00 0.00 H new ATOM 0 HA SER A 89 -7.908 -4.709 16.736 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.495 -2.209 16.924 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.780 -2.564 16.846 1.00 0.00 H new ATOM 0 HG SER A 89 -7.399 -0.884 15.340 1.00 0.00 H new ATOM 1431 N GLU A 90 -9.706 -3.466 14.261 1.00 0.00 N ATOM 1432 CA GLU A 90 -11.064 -3.426 13.636 1.00 0.00 C ATOM 1433 C GLU A 90 -11.029 -2.359 12.544 1.00 0.00 C ATOM 1434 O GLU A 90 -11.607 -2.507 11.487 1.00 0.00 O ATOM 1435 CB GLU A 90 -12.141 -3.053 14.668 1.00 0.00 C ATOM 1436 CG GLU A 90 -11.731 -1.776 15.408 1.00 0.00 C ATOM 1437 CD GLU A 90 -12.234 -1.838 16.851 1.00 0.00 C ATOM 1438 OE1 GLU A 90 -13.439 -1.853 17.038 1.00 0.00 O ATOM 1439 OE2 GLU A 90 -11.404 -1.868 17.745 1.00 0.00 O ATOM 0 H GLU A 90 -8.996 -2.946 13.745 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.312 -4.408 13.234 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.099 -2.904 14.170 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -12.275 -3.869 15.378 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.647 -1.667 15.394 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.145 -0.902 14.905 1.00 0.00 H new ATOM 1446 N ASN A 91 -10.313 -1.298 12.798 1.00 0.00 N ATOM 1447 CA ASN A 91 -10.168 -0.206 11.796 1.00 0.00 C ATOM 1448 C ASN A 91 -8.723 -0.184 11.288 1.00 0.00 C ATOM 1449 O ASN A 91 -8.344 0.700 10.544 1.00 0.00 O ATOM 1450 CB ASN A 91 -10.489 1.134 12.448 1.00 0.00 C ATOM 1451 CG ASN A 91 -11.932 1.143 12.961 1.00 0.00 C ATOM 1452 OD1 ASN A 91 -12.592 0.122 12.990 1.00 0.00 O ATOM 1453 ND2 ASN A 91 -12.452 2.269 13.365 1.00 0.00 N ATOM 0 H ASN A 91 -9.814 -1.140 13.673 1.00 0.00 H new ATOM 0 HA ASN A 91 -10.854 -0.379 10.966 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -9.801 1.319 13.273 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -10.347 1.940 11.728 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.413 2.294 13.706 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -11.897 3.125 13.340 1.00 0.00 H new ATOM 1460 N LYS A 92 -7.909 -1.149 11.679 1.00 0.00 N ATOM 1461 CA LYS A 92 -6.512 -1.180 11.201 1.00 0.00 C ATOM 1462 C LYS A 92 -6.264 -2.540 10.553 1.00 0.00 C ATOM 1463 O LYS A 92 -6.209 -3.547 11.223 1.00 0.00 O ATOM 1464 CB LYS A 92 -5.566 -0.993 12.382 1.00 0.00 C ATOM 1465 CG LYS A 92 -4.302 -0.305 11.892 1.00 0.00 C ATOM 1466 CD LYS A 92 -3.342 -1.348 11.328 1.00 0.00 C ATOM 1467 CE LYS A 92 -2.083 -0.656 10.802 1.00 0.00 C ATOM 1468 NZ LYS A 92 -1.415 0.074 11.916 1.00 0.00 N ATOM 0 H LYS A 92 -8.168 -1.908 12.309 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.338 -0.381 10.480 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.044 -0.396 13.158 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.322 -1.958 12.827 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.549 0.430 11.126 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.828 0.236 12.711 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.077 -2.069 12.102 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.825 -1.905 10.525 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.402 -1.392 10.375 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.343 0.038 10.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.441 0.312 11.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.940 0.948 12.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.397 -0.528 12.764 1.00 0.00 H new ATOM 1482 N MET A 93 -6.134 -2.576 9.256 1.00 0.00 N ATOM 1483 CA MET A 93 -5.904 -3.866 8.557 1.00 0.00 C ATOM 1484 C MET A 93 -4.510 -3.910 7.964 1.00 0.00 C ATOM 1485 O MET A 93 -3.860 -2.903 7.761 1.00 0.00 O ATOM 1486 CB MET A 93 -6.920 -4.091 7.428 1.00 0.00 C ATOM 1487 CG MET A 93 -7.308 -2.774 6.745 1.00 0.00 C ATOM 1488 SD MET A 93 -7.606 -3.064 4.982 1.00 0.00 S ATOM 1489 CE MET A 93 -8.807 -4.401 5.182 1.00 0.00 C ATOM 0 H MET A 93 -6.178 -1.759 8.647 1.00 0.00 H new ATOM 0 HA MET A 93 -6.021 -4.653 9.302 1.00 0.00 H new ATOM 0 HB2 MET A 93 -6.499 -4.774 6.690 1.00 0.00 H new ATOM 0 HB3 MET A 93 -7.813 -4.569 7.831 1.00 0.00 H new ATOM 0 HG2 MET A 93 -8.202 -2.361 7.212 1.00 0.00 H new ATOM 0 HG3 MET A 93 -6.513 -2.039 6.873 1.00 0.00 H new ATOM 0 HE1 MET A 93 -9.163 -4.720 4.202 1.00 0.00 H new ATOM 0 HE2 MET A 93 -8.334 -5.243 5.688 1.00 0.00 H new ATOM 0 HE3 MET A 93 -9.649 -4.048 5.777 1.00 0.00 H new ATOM 1499 N VAL A 94 -4.061 -5.094 7.693 1.00 0.00 N ATOM 1500 CA VAL A 94 -2.711 -5.293 7.109 1.00 0.00 C ATOM 1501 C VAL A 94 -2.842 -6.002 5.774 1.00 0.00 C ATOM 1502 O VAL A 94 -3.926 -6.271 5.295 1.00 0.00 O ATOM 1503 CB VAL A 94 -1.878 -6.177 8.040 1.00 0.00 C ATOM 1504 CG1 VAL A 94 -1.410 -5.370 9.245 1.00 0.00 C ATOM 1505 CG2 VAL A 94 -2.736 -7.348 8.509 1.00 0.00 C ATOM 0 H VAL A 94 -4.584 -5.955 7.855 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.230 -4.323 6.979 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.004 -6.548 7.505 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -0.818 -6.007 9.902 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.801 -4.532 8.907 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.276 -4.993 9.789 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.151 -7.984 9.173 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.608 -6.970 9.043 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.063 -7.928 7.646 1.00 0.00 H new ATOM 1515 N CYS A 95 -1.733 -6.323 5.192 1.00 0.00 N ATOM 1516 CA CYS A 95 -1.732 -7.048 3.903 1.00 0.00 C ATOM 1517 C CYS A 95 -0.334 -7.598 3.700 1.00 0.00 C ATOM 1518 O CYS A 95 0.441 -7.081 2.922 1.00 0.00 O ATOM 1519 CB CYS A 95 -2.094 -6.106 2.768 1.00 0.00 C ATOM 1520 SG CYS A 95 -2.276 -7.055 1.237 1.00 0.00 S ATOM 0 H CYS A 95 -0.807 -6.109 5.562 1.00 0.00 H new ATOM 0 HA CYS A 95 -2.467 -7.853 3.913 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -3.022 -5.582 2.997 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.321 -5.347 2.649 1.00 0.00 H new ATOM 0 HG CYS A 95 -2.300 -6.242 0.223 1.00 0.00 H new ATOM 1526 N GLU A 96 0.002 -8.621 4.432 1.00 0.00 N ATOM 1527 CA GLU A 96 1.373 -9.185 4.328 1.00 0.00 C ATOM 1528 C GLU A 96 1.607 -9.798 2.949 1.00 0.00 C ATOM 1529 O GLU A 96 1.031 -10.810 2.598 1.00 0.00 O ATOM 1530 CB GLU A 96 1.587 -10.255 5.397 1.00 0.00 C ATOM 1531 CG GLU A 96 3.059 -10.670 5.390 1.00 0.00 C ATOM 1532 CD GLU A 96 3.255 -11.890 6.291 1.00 0.00 C ATOM 1533 OE1 GLU A 96 2.539 -12.860 6.105 1.00 0.00 O ATOM 1534 OE2 GLU A 96 4.117 -11.834 7.153 1.00 0.00 O ATOM 0 H GLU A 96 -0.613 -9.090 5.097 1.00 0.00 H new ATOM 0 HA GLU A 96 2.082 -8.371 4.478 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.308 -9.870 6.378 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.951 -11.118 5.200 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.377 -10.902 4.373 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.681 -9.845 5.738 1.00 0.00 H new ATOM 1541 N GLN A 97 2.474 -9.196 2.181 1.00 0.00 N ATOM 1542 CA GLN A 97 2.794 -9.729 0.838 1.00 0.00 C ATOM 1543 C GLN A 97 4.136 -10.464 0.916 1.00 0.00 C ATOM 1544 O GLN A 97 5.133 -9.894 1.320 1.00 0.00 O ATOM 1545 CB GLN A 97 2.902 -8.564 -0.143 1.00 0.00 C ATOM 1546 CG GLN A 97 1.553 -7.850 -0.248 1.00 0.00 C ATOM 1547 CD GLN A 97 1.308 -7.405 -1.694 1.00 0.00 C ATOM 1548 OE1 GLN A 97 2.216 -7.386 -2.503 1.00 0.00 O ATOM 1549 NE2 GLN A 97 0.108 -7.040 -2.055 1.00 0.00 N ATOM 0 H GLN A 97 2.978 -8.346 2.436 1.00 0.00 H new ATOM 0 HA GLN A 97 2.016 -10.414 0.502 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.669 -7.865 0.191 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.208 -8.929 -1.123 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.753 -8.516 0.077 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.537 -6.985 0.415 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.655 -7.055 -1.378 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.067 -6.740 -3.014 1.00 0.00 H new ATOM 1558 N LYS A 98 4.173 -11.725 0.556 1.00 0.00 N ATOM 1559 CA LYS A 98 5.465 -12.483 0.636 1.00 0.00 C ATOM 1560 C LYS A 98 5.773 -13.145 -0.709 1.00 0.00 C ATOM 1561 O LYS A 98 4.918 -13.253 -1.563 1.00 0.00 O ATOM 1562 CB LYS A 98 5.358 -13.560 1.720 1.00 0.00 C ATOM 1563 CG LYS A 98 4.081 -14.381 1.511 1.00 0.00 C ATOM 1564 CD LYS A 98 4.343 -15.841 1.883 1.00 0.00 C ATOM 1565 CE LYS A 98 3.073 -16.453 2.478 1.00 0.00 C ATOM 1566 NZ LYS A 98 3.248 -17.927 2.610 1.00 0.00 N ATOM 0 H LYS A 98 3.374 -12.259 0.213 1.00 0.00 H new ATOM 0 HA LYS A 98 6.268 -11.789 0.883 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.231 -14.212 1.685 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.346 -13.096 2.706 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.274 -13.979 2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.758 -14.312 0.472 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.651 -16.402 1.001 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.160 -15.903 2.602 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.866 -16.012 3.453 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.217 -16.233 1.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.385 -18.344 3.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.426 -18.341 1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.055 -18.126 3.235 1.00 0.00 H new ATOM 1580 N LEU A 99 6.992 -13.600 -0.895 1.00 0.00 N ATOM 1581 CA LEU A 99 7.350 -14.274 -2.187 1.00 0.00 C ATOM 1582 C LEU A 99 7.361 -15.788 -1.986 1.00 0.00 C ATOM 1583 O LEU A 99 8.209 -16.490 -2.502 1.00 0.00 O ATOM 1584 CB LEU A 99 8.713 -13.805 -2.742 1.00 0.00 C ATOM 1585 CG LEU A 99 9.682 -13.451 -1.616 1.00 0.00 C ATOM 1586 CD1 LEU A 99 11.113 -13.791 -2.043 1.00 0.00 C ATOM 1587 CD2 LEU A 99 9.587 -11.953 -1.322 1.00 0.00 C ATOM 0 H LEU A 99 7.749 -13.535 -0.214 1.00 0.00 H new ATOM 0 HA LEU A 99 6.594 -13.997 -2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.145 -14.591 -3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 99 8.567 -12.937 -3.384 1.00 0.00 H new ATOM 0 HG LEU A 99 9.424 -14.021 -0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.803 -13.538 -1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 99 11.184 -14.857 -2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 99 11.372 -13.221 -2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.277 -11.695 -0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.847 -11.389 -2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.569 -11.705 -1.020 1.00 0.00 H new ATOM 1599 N LEU A 100 6.405 -16.292 -1.246 1.00 0.00 N ATOM 1600 CA LEU A 100 6.318 -17.765 -1.005 1.00 0.00 C ATOM 1601 C LEU A 100 7.604 -18.291 -0.355 1.00 0.00 C ATOM 1602 O LEU A 100 7.881 -19.475 -0.387 1.00 0.00 O ATOM 1603 CB LEU A 100 6.109 -18.474 -2.337 1.00 0.00 C ATOM 1604 CG LEU A 100 4.852 -17.924 -3.016 1.00 0.00 C ATOM 1605 CD1 LEU A 100 4.925 -18.184 -4.520 1.00 0.00 C ATOM 1606 CD2 LEU A 100 3.614 -18.615 -2.441 1.00 0.00 C ATOM 0 H LEU A 100 5.675 -15.741 -0.795 1.00 0.00 H new ATOM 0 HA LEU A 100 5.483 -17.960 -0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.977 -18.326 -2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.009 -19.548 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 100 4.787 -16.851 -2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.029 -17.792 -5.001 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.804 -17.690 -4.932 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.994 -19.257 -4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.720 -18.222 -2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.681 -19.688 -2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.558 -18.427 -1.369 1.00 0.00 H new ATOM 1618 N LYS A 101 8.385 -17.425 0.233 1.00 0.00 N ATOM 1619 CA LYS A 101 9.654 -17.863 0.892 1.00 0.00 C ATOM 1620 C LYS A 101 10.370 -16.636 1.454 1.00 0.00 C ATOM 1621 O LYS A 101 10.468 -16.454 2.653 1.00 0.00 O ATOM 1622 CB LYS A 101 10.559 -18.562 -0.132 1.00 0.00 C ATOM 1623 CG LYS A 101 11.226 -19.780 0.516 1.00 0.00 C ATOM 1624 CD LYS A 101 12.163 -19.319 1.640 1.00 0.00 C ATOM 1625 CE LYS A 101 13.449 -20.152 1.619 1.00 0.00 C ATOM 1626 NZ LYS A 101 14.543 -19.357 0.992 1.00 0.00 N ATOM 0 H LYS A 101 8.198 -16.424 0.286 1.00 0.00 H new ATOM 0 HA LYS A 101 9.426 -18.561 1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.973 -18.873 -0.997 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.318 -17.869 -0.494 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.467 -20.453 0.915 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.787 -20.340 -0.232 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.401 -18.263 1.517 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.667 -19.423 2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.727 -20.437 2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.289 -21.075 1.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.417 -19.921 0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.276 -19.106 0.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.701 -18.489 1.542 1.00 0.00 H new ATOM 1640 N GLY A 102 10.863 -15.791 0.589 1.00 0.00 N ATOM 1641 CA GLY A 102 11.571 -14.562 1.048 1.00 0.00 C ATOM 1642 C GLY A 102 13.082 -14.755 0.935 1.00 0.00 C ATOM 1643 O GLY A 102 13.614 -15.799 1.265 1.00 0.00 O ATOM 0 H GLY A 102 10.805 -15.901 -0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.260 -13.707 0.447 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.301 -14.341 2.081 1.00 0.00 H new ATOM 1647 N GLU A 103 13.773 -13.742 0.487 1.00 0.00 N ATOM 1648 CA GLU A 103 15.255 -13.830 0.362 1.00 0.00 C ATOM 1649 C GLU A 103 15.881 -12.903 1.402 1.00 0.00 C ATOM 1650 O GLU A 103 16.879 -13.224 2.020 1.00 0.00 O ATOM 1651 CB GLU A 103 15.692 -13.412 -1.048 1.00 0.00 C ATOM 1652 CG GLU A 103 15.065 -12.064 -1.417 1.00 0.00 C ATOM 1653 CD GLU A 103 15.580 -11.622 -2.789 1.00 0.00 C ATOM 1654 OE1 GLU A 103 16.787 -11.582 -2.961 1.00 0.00 O ATOM 1655 OE2 GLU A 103 14.759 -11.332 -3.643 1.00 0.00 O ATOM 0 H GLU A 103 13.370 -12.850 0.200 1.00 0.00 H new ATOM 0 HA GLU A 103 15.583 -14.856 0.531 1.00 0.00 H new ATOM 0 HB2 GLU A 103 16.779 -13.341 -1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 103 15.391 -14.171 -1.770 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.978 -12.148 -1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.315 -11.316 -0.664 1.00 0.00 H new ATOM 1662 N GLY A 104 15.281 -11.762 1.608 1.00 0.00 N ATOM 1663 CA GLY A 104 15.795 -10.798 2.615 1.00 0.00 C ATOM 1664 C GLY A 104 14.599 -10.021 3.188 1.00 0.00 C ATOM 1665 O GLY A 104 14.022 -10.443 4.171 1.00 0.00 O ATOM 0 H GLY A 104 14.444 -11.455 1.112 1.00 0.00 H new ATOM 0 HA2 GLY A 104 16.323 -11.324 3.410 1.00 0.00 H new ATOM 0 HA3 GLY A 104 16.509 -10.114 2.157 1.00 0.00 H new ATOM 1669 N PRO A 105 14.237 -8.914 2.561 1.00 0.00 N ATOM 1670 CA PRO A 105 13.096 -8.106 3.014 1.00 0.00 C ATOM 1671 C PRO A 105 11.783 -8.681 2.462 1.00 0.00 C ATOM 1672 O PRO A 105 11.723 -9.831 2.068 1.00 0.00 O ATOM 1673 CB PRO A 105 13.383 -6.723 2.433 1.00 0.00 C ATOM 1674 CG PRO A 105 14.336 -6.933 1.231 1.00 0.00 C ATOM 1675 CD PRO A 105 14.920 -8.354 1.368 1.00 0.00 C ATOM 0 HA PRO A 105 12.983 -8.087 4.098 1.00 0.00 H new ATOM 0 HB2 PRO A 105 12.460 -6.238 2.115 1.00 0.00 H new ATOM 0 HB3 PRO A 105 13.841 -6.076 3.181 1.00 0.00 H new ATOM 0 HG2 PRO A 105 13.799 -6.825 0.289 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.130 -6.187 1.233 1.00 0.00 H new ATOM 0 HD2 PRO A 105 14.724 -8.953 0.479 1.00 0.00 H new ATOM 0 HD3 PRO A 105 16.001 -8.329 1.503 1.00 0.00 H new ATOM 1683 N LYS A 106 10.730 -7.897 2.444 1.00 0.00 N ATOM 1684 CA LYS A 106 9.423 -8.404 1.937 1.00 0.00 C ATOM 1685 C LYS A 106 8.460 -7.238 1.699 1.00 0.00 C ATOM 1686 O LYS A 106 8.713 -6.118 2.100 1.00 0.00 O ATOM 1687 CB LYS A 106 8.835 -9.338 2.987 1.00 0.00 C ATOM 1688 CG LYS A 106 8.255 -10.585 2.313 1.00 0.00 C ATOM 1689 CD LYS A 106 8.440 -11.797 3.232 1.00 0.00 C ATOM 1690 CE LYS A 106 9.786 -12.472 2.945 1.00 0.00 C ATOM 1691 NZ LYS A 106 10.652 -12.383 4.155 1.00 0.00 N ATOM 0 H LYS A 106 10.724 -6.927 2.760 1.00 0.00 H new ATOM 0 HA LYS A 106 9.572 -8.931 0.995 1.00 0.00 H new ATOM 0 HB2 LYS A 106 9.606 -9.626 3.702 1.00 0.00 H new ATOM 0 HB3 LYS A 106 8.056 -8.823 3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 106 7.197 -10.436 2.099 1.00 0.00 H new ATOM 0 HG3 LYS A 106 8.752 -10.760 1.359 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.396 -11.483 4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.628 -12.507 3.079 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.631 -13.516 2.671 1.00 0.00 H new ATOM 0 HE3 LYS A 106 10.274 -11.989 2.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 11.566 -12.840 3.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 10.809 -11.384 4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.186 -12.863 4.951 1.00 0.00 H new ATOM 1705 N THR A 107 7.350 -7.503 1.056 1.00 0.00 N ATOM 1706 CA THR A 107 6.355 -6.432 0.786 1.00 0.00 C ATOM 1707 C THR A 107 5.158 -6.604 1.721 1.00 0.00 C ATOM 1708 O THR A 107 4.994 -7.630 2.348 1.00 0.00 O ATOM 1709 CB THR A 107 5.884 -6.552 -0.668 1.00 0.00 C ATOM 1710 OG1 THR A 107 5.823 -7.923 -1.042 1.00 0.00 O ATOM 1711 CG2 THR A 107 6.858 -5.831 -1.594 1.00 0.00 C ATOM 0 H THR A 107 7.093 -8.426 0.705 1.00 0.00 H new ATOM 0 HA THR A 107 6.807 -5.454 0.952 1.00 0.00 H new ATOM 0 HB THR A 107 4.896 -6.100 -0.754 1.00 0.00 H new ATOM 0 HG1 THR A 107 5.520 -7.995 -1.971 1.00 0.00 H new ATOM 0 HG21 THR A 107 6.515 -5.922 -2.625 1.00 0.00 H new ATOM 0 HG22 THR A 107 6.908 -4.777 -1.320 1.00 0.00 H new ATOM 0 HG23 THR A 107 7.848 -6.278 -1.500 1.00 0.00 H new ATOM 1719 N SER A 108 4.322 -5.598 1.819 1.00 0.00 N ATOM 1720 CA SER A 108 3.118 -5.676 2.709 1.00 0.00 C ATOM 1721 C SER A 108 2.465 -4.293 2.772 1.00 0.00 C ATOM 1722 O SER A 108 3.028 -3.322 2.307 1.00 0.00 O ATOM 1723 CB SER A 108 3.536 -6.087 4.125 1.00 0.00 C ATOM 1724 OG SER A 108 4.786 -5.487 4.439 1.00 0.00 O ATOM 0 H SER A 108 4.423 -4.717 1.315 1.00 0.00 H new ATOM 0 HA SER A 108 2.421 -6.414 2.310 1.00 0.00 H new ATOM 0 HB2 SER A 108 2.779 -5.775 4.845 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.613 -7.172 4.193 1.00 0.00 H new ATOM 0 HG SER A 108 5.055 -5.747 5.345 1.00 0.00 H new ATOM 1730 N TRP A 109 1.308 -4.183 3.382 1.00 0.00 N ATOM 1731 CA TRP A 109 0.665 -2.839 3.520 1.00 0.00 C ATOM 1732 C TRP A 109 -0.398 -2.880 4.586 1.00 0.00 C ATOM 1733 O TRP A 109 -1.115 -3.851 4.733 1.00 0.00 O ATOM 1734 CB TRP A 109 0.080 -2.296 2.196 1.00 0.00 C ATOM 1735 CG TRP A 109 -1.110 -3.038 1.660 1.00 0.00 C ATOM 1736 CD1 TRP A 109 -1.105 -3.692 0.480 1.00 0.00 C ATOM 1737 CD2 TRP A 109 -2.482 -3.144 2.183 1.00 0.00 C ATOM 1738 NE1 TRP A 109 -2.365 -4.206 0.240 1.00 0.00 N ATOM 1739 CE2 TRP A 109 -3.248 -3.903 1.257 1.00 0.00 C ATOM 1740 CE3 TRP A 109 -3.138 -2.682 3.352 1.00 0.00 C ATOM 1741 CZ2 TRP A 109 -4.598 -4.186 1.478 1.00 0.00 C ATOM 1742 CZ3 TRP A 109 -4.492 -2.972 3.568 1.00 0.00 C ATOM 1743 CH2 TRP A 109 -5.217 -3.720 2.635 1.00 0.00 C ATOM 0 H TRP A 109 0.785 -4.960 3.787 1.00 0.00 H new ATOM 0 HA TRP A 109 1.455 -2.146 3.811 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -0.201 -1.253 2.344 1.00 0.00 H new ATOM 0 HB3 TRP A 109 0.865 -2.310 1.440 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -0.252 -3.797 -0.173 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -2.613 -4.745 -0.590 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -2.591 -2.103 4.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -5.158 -4.762 0.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -4.980 -2.615 4.463 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -6.260 -3.937 2.812 1.00 0.00 H new ATOM 1754 N THR A 110 -0.497 -1.821 5.345 1.00 0.00 N ATOM 1755 CA THR A 110 -1.516 -1.775 6.422 1.00 0.00 C ATOM 1756 C THR A 110 -2.302 -0.477 6.343 1.00 0.00 C ATOM 1757 O THR A 110 -1.802 0.591 6.629 1.00 0.00 O ATOM 1758 CB THR A 110 -0.849 -1.882 7.787 1.00 0.00 C ATOM 1759 OG1 THR A 110 -0.169 -0.669 8.079 1.00 0.00 O ATOM 1760 CG2 THR A 110 0.144 -3.044 7.789 1.00 0.00 C ATOM 0 H THR A 110 0.086 -0.988 5.262 1.00 0.00 H new ATOM 0 HA THR A 110 -2.195 -2.617 6.290 1.00 0.00 H new ATOM 0 HB THR A 110 -1.610 -2.062 8.547 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.750 0.091 7.866 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.618 -3.116 8.768 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.383 -3.973 7.572 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.906 -2.873 7.029 1.00 0.00 H new ATOM 1768 N ARG A 111 -3.543 -0.583 5.980 1.00 0.00 N ATOM 1769 CA ARG A 111 -4.416 0.623 5.890 1.00 0.00 C ATOM 1770 C ARG A 111 -4.973 0.893 7.282 1.00 0.00 C ATOM 1771 O ARG A 111 -5.416 -0.014 7.944 1.00 0.00 O ATOM 1772 CB ARG A 111 -5.552 0.342 4.896 1.00 0.00 C ATOM 1773 CG ARG A 111 -5.027 0.480 3.466 1.00 0.00 C ATOM 1774 CD ARG A 111 -6.158 0.192 2.477 1.00 0.00 C ATOM 1775 NE ARG A 111 -5.790 0.716 1.130 1.00 0.00 N ATOM 1776 CZ ARG A 111 -4.759 0.225 0.495 1.00 0.00 C ATOM 1777 NH1 ARG A 111 -4.539 -1.061 0.501 1.00 0.00 N ATOM 1778 NH2 ARG A 111 -3.948 1.022 -0.145 1.00 0.00 N ATOM 0 H ARG A 111 -4.000 -1.462 5.738 1.00 0.00 H new ATOM 0 HA ARG A 111 -3.860 1.493 5.541 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -5.947 -0.661 5.054 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -6.374 1.038 5.061 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.637 1.485 3.306 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.201 -0.212 3.302 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -6.343 -0.881 2.423 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -7.082 0.658 2.820 1.00 0.00 H new ATOM 0 HE ARG A 111 -6.344 1.459 0.704 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -5.172 -1.684 1.002 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -3.734 -1.443 0.005 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -4.119 2.028 -0.149 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -3.143 0.639 -0.641 1.00 0.00 H new ATOM 1792 N GLU A 112 -4.938 2.116 7.749 1.00 0.00 N ATOM 1793 CA GLU A 112 -5.456 2.384 9.122 1.00 0.00 C ATOM 1794 C GLU A 112 -6.364 3.609 9.108 1.00 0.00 C ATOM 1795 O GLU A 112 -6.192 4.510 8.320 1.00 0.00 O ATOM 1796 CB GLU A 112 -4.272 2.607 10.071 1.00 0.00 C ATOM 1797 CG GLU A 112 -4.774 2.834 11.504 1.00 0.00 C ATOM 1798 CD GLU A 112 -4.715 4.325 11.842 1.00 0.00 C ATOM 1799 OE1 GLU A 112 -4.975 5.124 10.957 1.00 0.00 O ATOM 1800 OE2 GLU A 112 -4.412 4.643 12.980 1.00 0.00 O ATOM 0 H GLU A 112 -4.579 2.928 7.247 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.038 1.530 9.467 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -3.607 1.743 10.044 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -3.690 3.468 9.742 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.796 2.469 11.603 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.164 2.268 12.207 1.00 0.00 H new ATOM 1807 N LEU A 113 -7.341 3.624 9.970 1.00 0.00 N ATOM 1808 CA LEU A 113 -8.297 4.762 10.031 1.00 0.00 C ATOM 1809 C LEU A 113 -8.017 5.591 11.286 1.00 0.00 C ATOM 1810 O LEU A 113 -7.306 5.155 12.173 1.00 0.00 O ATOM 1811 CB LEU A 113 -9.709 4.170 10.094 1.00 0.00 C ATOM 1812 CG LEU A 113 -10.250 3.824 8.698 1.00 0.00 C ATOM 1813 CD1 LEU A 113 -10.815 5.077 8.037 1.00 0.00 C ATOM 1814 CD2 LEU A 113 -9.165 3.212 7.813 1.00 0.00 C ATOM 0 H LEU A 113 -7.520 2.882 10.647 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.195 5.409 9.160 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -9.699 3.272 10.712 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -10.379 4.881 10.577 1.00 0.00 H new ATOM 0 HG LEU A 113 -11.042 3.084 8.817 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -11.197 4.826 7.048 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -11.624 5.477 8.648 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -10.028 5.825 7.943 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -9.583 2.980 6.833 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -8.345 3.921 7.699 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -8.792 2.298 8.274 1.00 0.00 H new ATOM 1826 N THR A 114 -8.561 6.782 11.372 1.00 0.00 N ATOM 1827 CA THR A 114 -8.308 7.627 12.577 1.00 0.00 C ATOM 1828 C THR A 114 -9.412 8.676 12.742 1.00 0.00 C ATOM 1829 O THR A 114 -9.775 9.367 11.814 1.00 0.00 O ATOM 1830 CB THR A 114 -6.958 8.333 12.427 1.00 0.00 C ATOM 1831 OG1 THR A 114 -6.092 7.533 11.633 1.00 0.00 O ATOM 1832 CG2 THR A 114 -6.336 8.547 13.807 1.00 0.00 C ATOM 0 H THR A 114 -9.164 7.201 10.664 1.00 0.00 H new ATOM 0 HA THR A 114 -8.299 6.986 13.458 1.00 0.00 H new ATOM 0 HB THR A 114 -7.105 9.299 11.944 1.00 0.00 H new ATOM 0 HG1 THR A 114 -6.357 7.599 10.692 1.00 0.00 H new ATOM 0 HG21 THR A 114 -5.375 9.050 13.699 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.001 9.161 14.414 1.00 0.00 H new ATOM 0 HG23 THR A 114 -6.188 7.583 14.293 1.00 0.00 H new ATOM 1840 N ASN A 115 -9.931 8.798 13.934 1.00 0.00 N ATOM 1841 CA ASN A 115 -11.001 9.799 14.211 1.00 0.00 C ATOM 1842 C ASN A 115 -12.234 9.517 13.336 1.00 0.00 C ATOM 1843 O ASN A 115 -13.072 8.711 13.698 1.00 0.00 O ATOM 1844 CB ASN A 115 -10.454 11.213 13.961 1.00 0.00 C ATOM 1845 CG ASN A 115 -9.339 11.514 14.965 1.00 0.00 C ATOM 1846 OD1 ASN A 115 -9.552 11.466 16.160 1.00 0.00 O ATOM 1847 ND2 ASN A 115 -8.151 11.826 14.526 1.00 0.00 N ATOM 0 H ASN A 115 -9.654 8.237 14.740 1.00 0.00 H new ATOM 0 HA ASN A 115 -11.310 9.724 15.254 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -10.072 11.292 12.943 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -11.254 11.947 14.059 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -7.401 12.030 15.186 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -7.972 11.866 13.523 1.00 0.00 H new ATOM 1854 N ASP A 116 -12.369 10.169 12.204 1.00 0.00 N ATOM 1855 CA ASP A 116 -13.552 9.932 11.340 1.00 0.00 C ATOM 1856 C ASP A 116 -13.244 10.420 9.926 1.00 0.00 C ATOM 1857 O ASP A 116 -13.998 11.173 9.334 1.00 0.00 O ATOM 1858 CB ASP A 116 -14.743 10.701 11.905 1.00 0.00 C ATOM 1859 CG ASP A 116 -14.370 12.174 12.083 1.00 0.00 C ATOM 1860 OD1 ASP A 116 -13.636 12.471 13.011 1.00 0.00 O ATOM 1861 OD2 ASP A 116 -14.825 12.980 11.288 1.00 0.00 O ATOM 0 H ASP A 116 -11.704 10.856 11.847 1.00 0.00 H new ATOM 0 HA ASP A 116 -13.788 8.868 11.311 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -15.597 10.611 11.234 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -15.043 10.274 12.862 1.00 0.00 H new ATOM 1866 N GLY A 117 -12.140 9.989 9.383 1.00 0.00 N ATOM 1867 CA GLY A 117 -11.770 10.417 7.999 1.00 0.00 C ATOM 1868 C GLY A 117 -10.247 10.449 7.806 1.00 0.00 C ATOM 1869 O GLY A 117 -9.780 10.697 6.721 1.00 0.00 O ATOM 0 H GLY A 117 -11.477 9.360 9.835 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -12.215 9.734 7.275 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -12.183 11.406 7.800 1.00 0.00 H new ATOM 1873 N GLU A 118 -9.469 10.203 8.828 1.00 0.00 N ATOM 1874 CA GLU A 118 -7.984 10.215 8.660 1.00 0.00 C ATOM 1875 C GLU A 118 -7.519 8.784 8.390 1.00 0.00 C ATOM 1876 O GLU A 118 -7.470 7.959 9.283 1.00 0.00 O ATOM 1877 CB GLU A 118 -7.322 10.746 9.934 1.00 0.00 C ATOM 1878 CG GLU A 118 -6.987 12.229 9.759 1.00 0.00 C ATOM 1879 CD GLU A 118 -5.735 12.568 10.570 1.00 0.00 C ATOM 1880 OE1 GLU A 118 -4.720 11.928 10.351 1.00 0.00 O ATOM 1881 OE2 GLU A 118 -5.813 13.461 11.398 1.00 0.00 O ATOM 0 H GLU A 118 -9.797 9.994 9.771 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.706 10.862 7.828 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -7.989 10.612 10.786 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -6.415 10.181 10.147 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -6.823 12.454 8.705 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -7.825 12.843 10.089 1.00 0.00 H new ATOM 1888 N LEU A 119 -7.205 8.481 7.158 1.00 0.00 N ATOM 1889 CA LEU A 119 -6.774 7.099 6.805 1.00 0.00 C ATOM 1890 C LEU A 119 -5.272 7.064 6.493 1.00 0.00 C ATOM 1891 O LEU A 119 -4.849 7.470 5.433 1.00 0.00 O ATOM 1892 CB LEU A 119 -7.558 6.651 5.567 1.00 0.00 C ATOM 1893 CG LEU A 119 -7.475 5.129 5.411 1.00 0.00 C ATOM 1894 CD1 LEU A 119 -8.828 4.576 4.956 1.00 0.00 C ATOM 1895 CD2 LEU A 119 -6.414 4.781 4.368 1.00 0.00 C ATOM 0 H LEU A 119 -7.229 9.137 6.377 1.00 0.00 H new ATOM 0 HA LEU A 119 -6.967 6.434 7.646 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.600 6.959 5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.157 7.138 4.678 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.209 4.687 6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.761 3.494 4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.589 4.820 5.698 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.099 5.021 3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.355 3.698 4.257 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.683 5.230 3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.447 5.166 4.690 1.00 0.00 H new ATOM 1907 N ILE A 120 -4.465 6.561 7.396 1.00 0.00 N ATOM 1908 CA ILE A 120 -2.996 6.486 7.119 1.00 0.00 C ATOM 1909 C ILE A 120 -2.687 5.105 6.545 1.00 0.00 C ATOM 1910 O ILE A 120 -2.806 4.101 7.214 1.00 0.00 O ATOM 1911 CB ILE A 120 -2.205 6.750 8.404 1.00 0.00 C ATOM 1912 CG1 ILE A 120 -2.497 5.669 9.446 1.00 0.00 C ATOM 1913 CG2 ILE A 120 -2.631 8.102 8.960 1.00 0.00 C ATOM 1914 CD1 ILE A 120 -1.364 4.640 9.449 1.00 0.00 C ATOM 0 H ILE A 120 -4.757 6.202 8.305 1.00 0.00 H new ATOM 0 HA ILE A 120 -2.703 7.247 6.396 1.00 0.00 H new ATOM 0 HB ILE A 120 -1.138 6.740 8.180 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.596 6.119 10.434 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -3.445 5.180 9.222 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -2.078 8.309 9.876 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -2.421 8.880 8.226 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.699 8.086 9.176 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -1.573 3.870 10.192 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -1.287 4.181 8.463 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -0.424 5.135 9.694 1.00 0.00 H new ATOM 1926 N LEU A 121 -2.338 5.055 5.290 1.00 0.00 N ATOM 1927 CA LEU A 121 -2.075 3.752 4.628 1.00 0.00 C ATOM 1928 C LEU A 121 -0.569 3.575 4.347 1.00 0.00 C ATOM 1929 O LEU A 121 0.061 4.378 3.685 1.00 0.00 O ATOM 1930 CB LEU A 121 -2.927 3.725 3.335 1.00 0.00 C ATOM 1931 CG LEU A 121 -2.543 2.590 2.367 1.00 0.00 C ATOM 1932 CD1 LEU A 121 -1.357 3.032 1.510 1.00 0.00 C ATOM 1933 CD2 LEU A 121 -2.174 1.313 3.123 1.00 0.00 C ATOM 0 H LEU A 121 -2.223 5.872 4.690 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.355 2.916 5.269 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.978 3.621 3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.823 4.681 2.821 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.405 2.376 1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.084 2.230 0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -1.631 3.919 0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -0.509 3.263 2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.908 0.532 2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.326 1.510 3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.025 0.985 3.720 1.00 0.00 H new ATOM 1945 N THR A 122 -0.008 2.508 4.866 1.00 0.00 N ATOM 1946 CA THR A 122 1.445 2.202 4.676 1.00 0.00 C ATOM 1947 C THR A 122 1.586 1.038 3.698 1.00 0.00 C ATOM 1948 O THR A 122 0.690 0.245 3.543 1.00 0.00 O ATOM 1949 CB THR A 122 2.039 1.766 6.008 1.00 0.00 C ATOM 1950 OG1 THR A 122 1.758 2.740 7.003 1.00 0.00 O ATOM 1951 CG2 THR A 122 3.548 1.586 5.868 1.00 0.00 C ATOM 0 H THR A 122 -0.510 1.820 5.427 1.00 0.00 H new ATOM 0 HA THR A 122 1.956 3.087 4.297 1.00 0.00 H new ATOM 0 HB THR A 122 1.593 0.816 6.304 1.00 0.00 H new ATOM 0 HG1 THR A 122 2.141 2.454 7.858 1.00 0.00 H new ATOM 0 HG21 THR A 122 3.967 1.274 6.824 1.00 0.00 H new ATOM 0 HG22 THR A 122 3.755 0.825 5.115 1.00 0.00 H new ATOM 0 HG23 THR A 122 4.000 2.530 5.564 1.00 0.00 H new ATOM 1959 N MET A 123 2.716 0.907 3.070 1.00 0.00 N ATOM 1960 CA MET A 123 2.918 -0.233 2.125 1.00 0.00 C ATOM 1961 C MET A 123 4.408 -0.505 1.975 1.00 0.00 C ATOM 1962 O MET A 123 5.091 0.121 1.187 1.00 0.00 O ATOM 1963 CB MET A 123 2.308 0.095 0.771 1.00 0.00 C ATOM 1964 CG MET A 123 2.373 -1.149 -0.127 1.00 0.00 C ATOM 1965 SD MET A 123 3.733 -0.993 -1.311 1.00 0.00 S ATOM 1966 CE MET A 123 3.167 0.541 -2.077 1.00 0.00 C ATOM 0 H MET A 123 3.512 1.537 3.166 1.00 0.00 H new ATOM 0 HA MET A 123 2.426 -1.121 2.521 1.00 0.00 H new ATOM 0 HB2 MET A 123 1.274 0.416 0.893 1.00 0.00 H new ATOM 0 HB3 MET A 123 2.846 0.922 0.307 1.00 0.00 H new ATOM 0 HG2 MET A 123 2.513 -2.041 0.484 1.00 0.00 H new ATOM 0 HG3 MET A 123 1.430 -1.272 -0.659 1.00 0.00 H new ATOM 0 HE1 MET A 123 3.412 0.529 -3.139 1.00 0.00 H new ATOM 0 HE2 MET A 123 2.088 0.632 -1.955 1.00 0.00 H new ATOM 0 HE3 MET A 123 3.659 1.389 -1.600 1.00 0.00 H new ATOM 1976 N THR A 124 4.912 -1.428 2.743 1.00 0.00 N ATOM 1977 CA THR A 124 6.370 -1.744 2.683 1.00 0.00 C ATOM 1978 C THR A 124 6.696 -2.483 1.399 1.00 0.00 C ATOM 1979 O THR A 124 5.822 -2.917 0.672 1.00 0.00 O ATOM 1980 CB THR A 124 6.832 -2.591 3.899 1.00 0.00 C ATOM 1981 OG1 THR A 124 6.822 -3.977 3.575 1.00 0.00 O ATOM 1982 CG2 THR A 124 5.936 -2.371 5.124 1.00 0.00 C ATOM 0 H THR A 124 4.377 -1.981 3.413 1.00 0.00 H new ATOM 0 HA THR A 124 6.906 -0.795 2.709 1.00 0.00 H new ATOM 0 HB THR A 124 7.844 -2.267 4.141 1.00 0.00 H new ATOM 0 HG1 THR A 124 6.076 -4.415 4.035 1.00 0.00 H new ATOM 0 HG21 THR A 124 6.295 -2.983 5.952 1.00 0.00 H new ATOM 0 HG22 THR A 124 5.964 -1.320 5.411 1.00 0.00 H new ATOM 0 HG23 THR A 124 4.912 -2.654 4.881 1.00 0.00 H new ATOM 1990 N ALA A 125 7.965 -2.624 1.126 1.00 0.00 N ATOM 1991 CA ALA A 125 8.377 -3.338 -0.115 1.00 0.00 C ATOM 1992 C ALA A 125 9.894 -3.499 -0.201 1.00 0.00 C ATOM 1993 O ALA A 125 10.610 -2.580 -0.540 1.00 0.00 O ATOM 1994 CB ALA A 125 7.894 -2.558 -1.333 1.00 0.00 C ATOM 0 H ALA A 125 8.730 -2.278 1.705 1.00 0.00 H new ATOM 0 HA ALA A 125 7.929 -4.331 -0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.195 -3.079 -2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.807 -2.475 -1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.334 -1.561 -1.324 1.00 0.00 H new ATOM 2000 N ASP A 126 10.394 -4.677 0.065 1.00 0.00 N ATOM 2001 CA ASP A 126 11.871 -4.902 -0.025 1.00 0.00 C ATOM 2002 C ASP A 126 12.575 -4.076 1.054 1.00 0.00 C ATOM 2003 O ASP A 126 13.680 -3.609 0.864 1.00 0.00 O ATOM 2004 CB ASP A 126 12.382 -4.483 -1.408 1.00 0.00 C ATOM 2005 CG ASP A 126 13.318 -5.558 -1.968 1.00 0.00 C ATOM 2006 OD1 ASP A 126 12.816 -6.513 -2.538 1.00 0.00 O ATOM 2007 OD2 ASP A 126 14.519 -5.407 -1.818 1.00 0.00 O ATOM 0 H ASP A 126 9.847 -5.493 0.340 1.00 0.00 H new ATOM 0 HA ASP A 126 12.083 -5.960 0.126 1.00 0.00 H new ATOM 0 HB2 ASP A 126 11.541 -4.332 -2.085 1.00 0.00 H new ATOM 0 HB3 ASP A 126 12.909 -3.531 -1.337 1.00 0.00 H new ATOM 2012 N ASP A 127 11.916 -3.909 2.179 1.00 0.00 N ATOM 2013 CA ASP A 127 12.461 -3.134 3.353 1.00 0.00 C ATOM 2014 C ASP A 127 12.057 -1.662 3.263 1.00 0.00 C ATOM 2015 O ASP A 127 12.310 -0.900 4.179 1.00 0.00 O ATOM 2016 CB ASP A 127 13.991 -3.240 3.457 1.00 0.00 C ATOM 2017 CG ASP A 127 14.411 -3.185 4.927 1.00 0.00 C ATOM 2018 OD1 ASP A 127 13.725 -3.780 5.741 1.00 0.00 O ATOM 2019 OD2 ASP A 127 15.411 -2.548 5.213 1.00 0.00 O ATOM 0 H ASP A 127 10.985 -4.293 2.340 1.00 0.00 H new ATOM 0 HA ASP A 127 12.030 -3.577 4.250 1.00 0.00 H new ATOM 0 HB2 ASP A 127 14.333 -4.171 3.005 1.00 0.00 H new ATOM 0 HB3 ASP A 127 14.460 -2.427 2.904 1.00 0.00 H new ATOM 2024 N VAL A 128 11.418 -1.249 2.193 1.00 0.00 N ATOM 2025 CA VAL A 128 10.995 0.165 2.092 1.00 0.00 C ATOM 2026 C VAL A 128 9.643 0.309 2.786 1.00 0.00 C ATOM 2027 O VAL A 128 9.060 -0.663 3.225 1.00 0.00 O ATOM 2028 CB VAL A 128 10.880 0.565 0.607 1.00 0.00 C ATOM 2029 CG1 VAL A 128 12.156 0.171 -0.139 1.00 0.00 C ATOM 2030 CG2 VAL A 128 9.688 -0.130 -0.050 1.00 0.00 C ATOM 0 H VAL A 128 11.177 -1.835 1.394 1.00 0.00 H new ATOM 0 HA VAL A 128 11.726 0.818 2.569 1.00 0.00 H new ATOM 0 HB VAL A 128 10.737 1.644 0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 128 12.068 0.457 -1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 128 13.010 0.682 0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 128 12.301 -0.907 -0.068 1.00 0.00 H new ATOM 0 HG21 VAL A 128 9.626 0.166 -1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 128 9.816 -1.211 0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 128 8.771 0.158 0.464 1.00 0.00 H new ATOM 2040 N VAL A 129 9.139 1.501 2.867 1.00 0.00 N ATOM 2041 CA VAL A 129 7.815 1.706 3.501 1.00 0.00 C ATOM 2042 C VAL A 129 7.204 3.006 2.986 1.00 0.00 C ATOM 2043 O VAL A 129 7.726 4.083 3.188 1.00 0.00 O ATOM 2044 CB VAL A 129 7.974 1.667 5.037 1.00 0.00 C ATOM 2045 CG1 VAL A 129 7.043 2.671 5.752 1.00 0.00 C ATOM 2046 CG2 VAL A 129 7.629 0.255 5.504 1.00 0.00 C ATOM 0 H VAL A 129 9.589 2.348 2.519 1.00 0.00 H new ATOM 0 HA VAL A 129 7.123 0.907 3.235 1.00 0.00 H new ATOM 0 HB VAL A 129 8.999 1.942 5.285 1.00 0.00 H new ATOM 0 HG11 VAL A 129 7.194 2.604 6.829 1.00 0.00 H new ATOM 0 HG12 VAL A 129 7.272 3.682 5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 129 6.005 2.437 5.516 1.00 0.00 H new ATOM 0 HG21 VAL A 129 7.732 0.195 6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 129 6.602 0.020 5.223 1.00 0.00 H new ATOM 0 HG23 VAL A 129 8.306 -0.459 5.035 1.00 0.00 H new ATOM 2056 N CYS A 130 6.088 2.884 2.329 1.00 0.00 N ATOM 2057 CA CYS A 130 5.391 4.083 1.783 1.00 0.00 C ATOM 2058 C CYS A 130 4.272 4.483 2.742 1.00 0.00 C ATOM 2059 O CYS A 130 3.166 3.984 2.659 1.00 0.00 O ATOM 2060 CB CYS A 130 4.797 3.751 0.412 1.00 0.00 C ATOM 2061 SG CYS A 130 4.691 5.260 -0.582 1.00 0.00 S ATOM 0 H CYS A 130 5.622 1.996 2.144 1.00 0.00 H new ATOM 0 HA CYS A 130 6.098 4.905 1.676 1.00 0.00 H new ATOM 0 HB2 CYS A 130 5.417 3.012 -0.095 1.00 0.00 H new ATOM 0 HB3 CYS A 130 3.807 3.310 0.530 1.00 0.00 H new ATOM 0 HG CYS A 130 4.189 4.978 -1.747 1.00 0.00 H new ATOM 2067 N THR A 131 4.559 5.369 3.659 1.00 0.00 N ATOM 2068 CA THR A 131 3.523 5.799 4.641 1.00 0.00 C ATOM 2069 C THR A 131 3.036 7.205 4.305 1.00 0.00 C ATOM 2070 O THR A 131 3.818 8.127 4.171 1.00 0.00 O ATOM 2071 CB THR A 131 4.131 5.816 6.044 1.00 0.00 C ATOM 2072 OG1 THR A 131 5.156 4.836 6.127 1.00 0.00 O ATOM 2073 CG2 THR A 131 3.045 5.514 7.079 1.00 0.00 C ATOM 0 H THR A 131 5.470 5.814 3.770 1.00 0.00 H new ATOM 0 HA THR A 131 2.686 5.102 4.599 1.00 0.00 H new ATOM 0 HB THR A 131 4.554 6.801 6.244 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.547 4.847 7.025 1.00 0.00 H new ATOM 0 HG21 THR A 131 3.481 5.527 8.078 1.00 0.00 H new ATOM 0 HG22 THR A 131 2.262 6.269 7.015 1.00 0.00 H new ATOM 0 HG23 THR A 131 2.618 4.531 6.882 1.00 0.00 H new ATOM 2081 N ARG A 132 1.747 7.375 4.187 1.00 0.00 N ATOM 2082 CA ARG A 132 1.193 8.729 3.882 1.00 0.00 C ATOM 2083 C ARG A 132 -0.231 8.813 4.418 1.00 0.00 C ATOM 2084 O ARG A 132 -1.044 7.938 4.186 1.00 0.00 O ATOM 2085 CB ARG A 132 1.203 9.008 2.366 1.00 0.00 C ATOM 2086 CG ARG A 132 0.992 7.722 1.562 1.00 0.00 C ATOM 2087 CD ARG A 132 0.707 8.081 0.104 1.00 0.00 C ATOM 2088 NE ARG A 132 0.811 6.858 -0.741 1.00 0.00 N ATOM 2089 CZ ARG A 132 0.436 6.895 -1.990 1.00 0.00 C ATOM 2090 NH1 ARG A 132 0.849 7.859 -2.767 1.00 0.00 N ATOM 2091 NH2 ARG A 132 -0.353 5.969 -2.463 1.00 0.00 N ATOM 0 H ARG A 132 1.052 6.635 4.288 1.00 0.00 H new ATOM 0 HA ARG A 132 1.819 9.481 4.362 1.00 0.00 H new ATOM 0 HB2 ARG A 132 0.420 9.725 2.121 1.00 0.00 H new ATOM 0 HB3 ARG A 132 2.152 9.464 2.084 1.00 0.00 H new ATOM 0 HG2 ARG A 132 1.877 7.089 1.627 1.00 0.00 H new ATOM 0 HG3 ARG A 132 0.161 7.151 1.977 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -0.289 8.514 0.014 1.00 0.00 H new ATOM 0 HD3 ARG A 132 1.415 8.835 -0.241 1.00 0.00 H new ATOM 0 HE ARG A 132 1.175 5.992 -0.343 1.00 0.00 H new ATOM 0 HH11 ARG A 132 1.465 8.583 -2.398 1.00 0.00 H new ATOM 0 HH12 ARG A 132 0.556 7.888 -3.744 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -0.677 5.216 -1.856 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -0.646 5.999 -3.440 1.00 0.00 H new ATOM 2105 N VAL A 133 -0.535 9.859 5.142 1.00 0.00 N ATOM 2106 CA VAL A 133 -1.904 10.006 5.706 1.00 0.00 C ATOM 2107 C VAL A 133 -2.868 10.353 4.579 1.00 0.00 C ATOM 2108 O VAL A 133 -2.482 10.878 3.560 1.00 0.00 O ATOM 2109 CB VAL A 133 -1.903 11.122 6.768 1.00 0.00 C ATOM 2110 CG1 VAL A 133 -3.336 11.419 7.228 1.00 0.00 C ATOM 2111 CG2 VAL A 133 -1.061 10.680 7.972 1.00 0.00 C ATOM 0 H VAL A 133 0.109 10.618 5.366 1.00 0.00 H new ATOM 0 HA VAL A 133 -2.218 9.074 6.175 1.00 0.00 H new ATOM 0 HB VAL A 133 -1.477 12.026 6.332 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -3.321 12.209 7.978 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -3.933 11.740 6.374 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -3.774 10.518 7.658 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -1.059 11.469 8.724 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -1.486 9.772 8.399 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -0.038 10.485 7.649 1.00 0.00 H new ATOM 2121 N TYR A 134 -4.122 10.072 4.775 1.00 0.00 N ATOM 2122 CA TYR A 134 -5.136 10.396 3.742 1.00 0.00 C ATOM 2123 C TYR A 134 -6.340 11.031 4.413 1.00 0.00 C ATOM 2124 O TYR A 134 -6.451 11.056 5.624 1.00 0.00 O ATOM 2125 CB TYR A 134 -5.650 9.134 3.069 1.00 0.00 C ATOM 2126 CG TYR A 134 -4.604 8.530 2.181 1.00 0.00 C ATOM 2127 CD1 TYR A 134 -3.498 7.894 2.742 1.00 0.00 C ATOM 2128 CD2 TYR A 134 -4.757 8.584 0.794 1.00 0.00 C ATOM 2129 CE1 TYR A 134 -2.540 7.310 1.918 1.00 0.00 C ATOM 2130 CE2 TYR A 134 -3.799 8.005 -0.035 1.00 0.00 C ATOM 2131 CZ TYR A 134 -2.686 7.364 0.525 1.00 0.00 C ATOM 2132 OH TYR A 134 -1.739 6.784 -0.294 1.00 0.00 O ATOM 0 H TYR A 134 -4.491 9.627 5.616 1.00 0.00 H new ATOM 0 HA TYR A 134 -4.667 11.057 3.013 1.00 0.00 H new ATOM 0 HB2 TYR A 134 -5.950 8.410 3.827 1.00 0.00 H new ATOM 0 HB3 TYR A 134 -6.539 9.367 2.482 1.00 0.00 H new ATOM 0 HD1 TYR A 134 -3.384 7.854 3.815 1.00 0.00 H new ATOM 0 HD2 TYR A 134 -5.618 9.075 0.364 1.00 0.00 H new ATOM 0 HE1 TYR A 134 -1.684 6.815 2.352 1.00 0.00 H new ATOM 0 HE2 TYR A 134 -3.914 8.050 -1.108 1.00 0.00 H new ATOM 0 HH TYR A 134 -1.334 6.019 0.165 1.00 0.00 H new ATOM 2142 N VAL A 135 -7.270 11.482 3.627 1.00 0.00 N ATOM 2143 CA VAL A 135 -8.515 12.044 4.182 1.00 0.00 C ATOM 2144 C VAL A 135 -9.641 11.645 3.245 1.00 0.00 C ATOM 2145 O VAL A 135 -9.391 11.267 2.126 1.00 0.00 O ATOM 2146 CB VAL A 135 -8.437 13.547 4.298 1.00 0.00 C ATOM 2147 CG1 VAL A 135 -9.701 14.028 4.990 1.00 0.00 C ATOM 2148 CG2 VAL A 135 -7.227 13.918 5.144 1.00 0.00 C ATOM 0 H VAL A 135 -7.215 11.483 2.608 1.00 0.00 H new ATOM 0 HA VAL A 135 -8.684 11.658 5.187 1.00 0.00 H new ATOM 0 HB VAL A 135 -8.343 14.006 3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -9.672 15.113 5.088 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -10.571 13.740 4.400 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -9.768 13.576 5.980 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -7.164 15.003 5.233 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -7.328 13.478 6.136 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -6.322 13.539 4.670 1.00 0.00 H new ATOM 2158 N ARG A 136 -10.868 11.699 3.674 1.00 0.00 N ATOM 2159 CA ARG A 136 -11.958 11.282 2.744 1.00 0.00 C ATOM 2160 C ARG A 136 -12.340 12.452 1.847 1.00 0.00 C ATOM 2161 O ARG A 136 -12.797 13.484 2.298 1.00 0.00 O ATOM 2162 CB ARG A 136 -13.188 10.778 3.501 1.00 0.00 C ATOM 2163 CG ARG A 136 -13.240 9.247 3.432 1.00 0.00 C ATOM 2164 CD ARG A 136 -13.685 8.683 4.783 1.00 0.00 C ATOM 2165 NE ARG A 136 -14.972 9.317 5.187 1.00 0.00 N ATOM 2166 CZ ARG A 136 -15.922 8.589 5.706 1.00 0.00 C ATOM 2167 NH1 ARG A 136 -16.737 7.929 4.930 1.00 0.00 N ATOM 2168 NH2 ARG A 136 -16.058 8.522 7.003 1.00 0.00 N ATOM 0 H ARG A 136 -11.162 12.004 4.602 1.00 0.00 H new ATOM 0 HA ARG A 136 -11.585 10.457 2.136 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -13.148 11.105 4.540 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -14.094 11.203 3.068 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -13.931 8.932 2.650 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -12.259 8.852 3.168 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -13.805 7.602 4.716 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -12.921 8.872 5.537 1.00 0.00 H new ATOM 0 HE ARG A 136 -15.110 10.319 5.058 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -16.632 7.982 3.917 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -17.480 7.360 5.336 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -15.422 9.039 7.610 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -16.801 7.953 7.409 1.00 0.00 H new ATOM 2182 N GLU A 137 -12.139 12.284 0.571 1.00 0.00 N ATOM 2183 CA GLU A 137 -12.464 13.362 -0.410 1.00 0.00 C ATOM 2184 C GLU A 137 -13.924 13.803 -0.251 1.00 0.00 C ATOM 2185 O GLU A 137 -14.792 13.087 -0.723 1.00 0.00 O ATOM 2186 CB GLU A 137 -12.247 12.837 -1.831 1.00 0.00 C ATOM 2187 CG GLU A 137 -12.150 14.016 -2.801 1.00 0.00 C ATOM 2188 CD GLU A 137 -12.463 13.538 -4.220 1.00 0.00 C ATOM 2189 OE1 GLU A 137 -11.537 13.135 -4.906 1.00 0.00 O ATOM 2190 OE2 GLU A 137 -13.622 13.584 -4.598 1.00 0.00 O ATOM 2191 OXT GLU A 137 -14.146 14.847 0.338 1.00 0.00 O ATOM 0 H GLU A 137 -11.758 11.433 0.158 1.00 0.00 H new ATOM 0 HA GLU A 137 -11.813 14.216 -0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -11.336 12.241 -1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -13.070 12.183 -2.118 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -12.848 14.800 -2.508 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -11.151 14.449 -2.764 1.00 0.00 H new TER 2198 GLU A 137