USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 722 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 40 GLN : amide:sc= 0.854 K(o=3.6,f=-1.6) USER MOD Set 1.2: B 138 LYS NZ :NH3+ -158:sc= 0.952 (180deg=0) USER MOD Set 1.3: B 141 GLN : amide:sc= 1.82 K(o=3.6,f=-1.6) USER MOD Set 2.1: A 38 LYS NZ :NH3+ -158:sc= 0.849 (180deg=0) USER MOD Set 2.2: A 41 GLN : amide:sc= 1.69 K(o=3.4,f=-1.3) USER MOD Set 2.3: B 140 GLN : amide:sc= 0.823 K(o=3.4,f=-1.3) USER MOD Set 3.1: A 27 LYS NZ :NH3+ -165:sc= 1.14 (180deg=1.07) USER MOD Set 3.2: B 123 SER OG : rot 180:sc= 0.464 USER MOD Set 4.1: A 23 SER OG : rot 180:sc= 0 USER MOD Set 4.2: B 131 MET CE :methyl 159:sc= -0.246 (180deg=-0.313) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0893 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0221 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 75:sc= 0.906 USER MOD Single : A 26 SER OG : rot 180:sc= -0.0116 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 29 GLN : amide:sc= -0.0968 X(o=-0.097,f=-0.097) USER MOD Single : A 31 MET CE :methyl -170:sc= -0.295 (180deg=-0.386) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.36 X(o=-0.36,f=0) USER MOD Single : A 44 GLN : amide:sc= 0.886 K(o=0.89,f=0) USER MOD Single : B 104 SER OG : rot 125:sc= 0.866 USER MOD Single : B 105 MET CE :methyl 173:sc= 0 (180deg=-0.0625) USER MOD Single : B 106 ASN : amide:sc= -0.0156 X(o=-0.016,f=-0.32) USER MOD Single : B 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 109 THR OG1 : rot 180:sc= 0 USER MOD Single : B 110 SER OG : rot 180:sc= 0 USER MOD Single : B 111 SER OG : rot 180:sc= 0 USER MOD Single : B 115 LYS NZ :NH3+ 159:sc= 1.25 (180deg=1.16) USER MOD Single : B 118 TYR OH : rot 180:sc= 0 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 126 SER OG : rot 180:sc=-0.00577 USER MOD Single : B 127 LYS NZ :NH3+ -169:sc= 0.794 (180deg=0.693) USER MOD Single : B 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 129 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : B 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 139 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : B 144 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.886 -2.096 -4.781 1.00 0.00 N ATOM 2 CA GLY A 1 -25.369 -2.152 -6.161 1.00 0.00 C ATOM 3 C GLY A 1 -25.112 -0.761 -6.742 1.00 0.00 C ATOM 4 O GLY A 1 -25.155 0.230 -6.001 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.258 -2.638 -4.153 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.923 -1.106 -4.464 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.842 -2.505 -4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.443 -2.726 -6.176 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.083 -2.681 -6.793 1.00 0.00 H new ATOM 10 N PRO A 2 -24.834 -0.657 -8.057 1.00 0.00 N ATOM 11 CA PRO A 2 -24.549 0.613 -8.739 1.00 0.00 C ATOM 12 C PRO A 2 -25.699 1.642 -8.666 1.00 0.00 C ATOM 13 O PRO A 2 -26.879 1.285 -8.741 1.00 0.00 O ATOM 14 CB PRO A 2 -24.219 0.235 -10.191 1.00 0.00 C ATOM 15 CG PRO A 2 -23.727 -1.205 -10.083 1.00 0.00 C ATOM 16 CD PRO A 2 -24.617 -1.767 -8.973 1.00 0.00 C ATOM 0 HA PRO A 2 -23.722 1.121 -8.243 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -25.095 0.312 -10.835 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -23.456 0.889 -10.612 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -23.851 -1.749 -11.019 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -22.670 -1.256 -9.822 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -25.561 -2.136 -9.374 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -24.135 -2.605 -8.469 1.00 0.00 H new ATOM 24 N GLY A 3 -25.349 2.927 -8.544 1.00 0.00 N ATOM 25 CA GLY A 3 -26.298 4.053 -8.498 1.00 0.00 C ATOM 26 C GLY A 3 -26.730 4.556 -9.888 1.00 0.00 C ATOM 27 O GLY A 3 -25.905 4.664 -10.804 1.00 0.00 O ATOM 0 H GLY A 3 -24.376 3.224 -8.473 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -27.184 3.748 -7.941 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -25.844 4.877 -7.948 1.00 0.00 H new ATOM 31 N SER A 4 -28.015 4.890 -10.038 1.00 0.00 N ATOM 32 CA SER A 4 -28.628 5.364 -11.296 1.00 0.00 C ATOM 33 C SER A 4 -28.446 6.869 -11.566 1.00 0.00 C ATOM 34 O SER A 4 -28.696 7.329 -12.684 1.00 0.00 O ATOM 35 CB SER A 4 -30.127 5.022 -11.276 1.00 0.00 C ATOM 36 OG SER A 4 -30.801 5.645 -10.187 1.00 0.00 O ATOM 0 H SER A 4 -28.683 4.839 -9.269 1.00 0.00 H new ATOM 0 HA SER A 4 -28.108 4.853 -12.107 1.00 0.00 H new ATOM 0 HB2 SER A 4 -30.584 5.338 -12.214 1.00 0.00 H new ATOM 0 HB3 SER A 4 -30.252 3.941 -11.209 1.00 0.00 H new ATOM 0 HG SER A 4 -31.751 5.405 -10.210 1.00 0.00 H new ATOM 42 N MET A 5 -28.022 7.643 -10.558 1.00 0.00 N ATOM 43 CA MET A 5 -27.810 9.099 -10.625 1.00 0.00 C ATOM 44 C MET A 5 -26.587 9.508 -11.470 1.00 0.00 C ATOM 45 O MET A 5 -25.763 8.676 -11.859 1.00 0.00 O ATOM 46 CB MET A 5 -27.742 9.668 -9.192 1.00 0.00 C ATOM 47 CG MET A 5 -26.532 9.214 -8.353 1.00 0.00 C ATOM 48 SD MET A 5 -26.688 7.571 -7.597 1.00 0.00 S ATOM 49 CE MET A 5 -25.160 7.542 -6.622 1.00 0.00 C ATOM 0 H MET A 5 -27.808 7.259 -9.637 1.00 0.00 H new ATOM 0 HA MET A 5 -28.661 9.534 -11.148 1.00 0.00 H new ATOM 0 HB2 MET A 5 -27.732 10.756 -9.252 1.00 0.00 H new ATOM 0 HB3 MET A 5 -28.653 9.386 -8.665 1.00 0.00 H new ATOM 0 HG2 MET A 5 -25.646 9.221 -8.988 1.00 0.00 H new ATOM 0 HG3 MET A 5 -26.363 9.945 -7.563 1.00 0.00 H new ATOM 0 HE1 MET A 5 -25.089 6.596 -6.085 1.00 0.00 H new ATOM 0 HE2 MET A 5 -24.302 7.648 -7.286 1.00 0.00 H new ATOM 0 HE3 MET A 5 -25.169 8.365 -5.907 1.00 0.00 H new ATOM 59 N ASN A 6 -26.447 10.813 -11.727 1.00 0.00 N ATOM 60 CA ASN A 6 -25.334 11.417 -12.479 1.00 0.00 C ATOM 61 C ASN A 6 -23.966 11.337 -11.760 1.00 0.00 C ATOM 62 O ASN A 6 -22.931 11.551 -12.395 1.00 0.00 O ATOM 63 CB ASN A 6 -25.695 12.884 -12.791 1.00 0.00 C ATOM 64 CG ASN A 6 -26.974 13.035 -13.600 1.00 0.00 C ATOM 65 OD1 ASN A 6 -28.071 13.122 -13.064 1.00 0.00 O ATOM 66 ND2 ASN A 6 -26.877 13.087 -14.910 1.00 0.00 N ATOM 0 H ASN A 6 -27.126 11.504 -11.408 1.00 0.00 H new ATOM 0 HA ASN A 6 -25.209 10.838 -13.394 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -25.800 13.431 -11.854 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -24.872 13.344 -13.338 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -27.716 13.200 -15.479 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -25.963 13.015 -15.357 1.00 0.00 H new ATOM 73 N LYS A 7 -23.974 10.999 -10.456 1.00 0.00 N ATOM 74 CA LYS A 7 -22.842 10.863 -9.509 1.00 0.00 C ATOM 75 C LYS A 7 -22.097 12.177 -9.164 1.00 0.00 C ATOM 76 O LYS A 7 -22.017 13.076 -10.008 1.00 0.00 O ATOM 77 CB LYS A 7 -21.867 9.747 -9.946 1.00 0.00 C ATOM 78 CG LYS A 7 -22.551 8.393 -10.192 1.00 0.00 C ATOM 79 CD LYS A 7 -21.540 7.314 -10.585 1.00 0.00 C ATOM 80 CE LYS A 7 -22.270 5.989 -10.857 1.00 0.00 C ATOM 81 NZ LYS A 7 -21.328 4.934 -11.303 1.00 0.00 N1+ ATOM 0 H LYS A 7 -24.858 10.794 -9.991 1.00 0.00 H new ATOM 0 HA LYS A 7 -23.310 10.571 -8.569 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -21.357 10.058 -10.858 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -21.102 9.624 -9.179 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -23.082 8.084 -9.292 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -23.296 8.499 -10.981 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -20.989 7.625 -11.473 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -20.809 7.180 -9.787 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -22.783 5.662 -9.953 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -23.034 6.143 -11.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -21.852 4.053 -11.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -20.857 5.237 -12.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -20.614 4.771 -10.565 1.00 0.00 H new ATOM 95 N PRO A 8 -21.534 12.319 -7.940 1.00 0.00 N ATOM 96 CA PRO A 8 -20.729 13.485 -7.556 1.00 0.00 C ATOM 97 C PRO A 8 -19.442 13.639 -8.380 1.00 0.00 C ATOM 98 O PRO A 8 -18.881 12.664 -8.883 1.00 0.00 O ATOM 99 CB PRO A 8 -20.384 13.290 -6.076 1.00 0.00 C ATOM 100 CG PRO A 8 -21.485 12.360 -5.571 1.00 0.00 C ATOM 101 CD PRO A 8 -21.725 11.459 -6.774 1.00 0.00 C ATOM 0 HA PRO A 8 -21.299 14.395 -7.742 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -19.396 12.848 -5.949 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -20.381 14.237 -5.537 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -21.169 11.793 -4.695 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -22.383 12.909 -5.288 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -21.028 10.621 -6.784 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -22.730 11.037 -6.756 1.00 0.00 H new ATOM 109 N THR A 9 -18.915 14.868 -8.449 1.00 0.00 N ATOM 110 CA THR A 9 -17.562 15.153 -8.986 1.00 0.00 C ATOM 111 C THR A 9 -16.436 14.714 -8.028 1.00 0.00 C ATOM 112 O THR A 9 -15.324 14.420 -8.469 1.00 0.00 O ATOM 113 CB THR A 9 -17.372 16.648 -9.316 1.00 0.00 C ATOM 114 OG1 THR A 9 -17.508 17.460 -8.162 1.00 0.00 O ATOM 115 CG2 THR A 9 -18.349 17.151 -10.382 1.00 0.00 C ATOM 0 H THR A 9 -19.411 15.702 -8.135 1.00 0.00 H new ATOM 0 HA THR A 9 -17.492 14.567 -9.902 1.00 0.00 H new ATOM 0 HB THR A 9 -16.358 16.728 -9.708 1.00 0.00 H new ATOM 0 HG1 THR A 9 -17.380 18.400 -8.407 1.00 0.00 H new ATOM 0 HG21 THR A 9 -18.167 18.209 -10.572 1.00 0.00 H new ATOM 0 HG22 THR A 9 -18.204 16.587 -11.303 1.00 0.00 H new ATOM 0 HG23 THR A 9 -19.372 17.016 -10.031 1.00 0.00 H new ATOM 123 N SER A 10 -16.728 14.642 -6.723 1.00 0.00 N ATOM 124 CA SER A 10 -15.857 14.147 -5.651 1.00 0.00 C ATOM 125 C SER A 10 -16.695 13.685 -4.447 1.00 0.00 C ATOM 126 O SER A 10 -17.753 14.260 -4.167 1.00 0.00 O ATOM 127 CB SER A 10 -14.859 15.234 -5.234 1.00 0.00 C ATOM 128 OG SER A 10 -13.981 14.766 -4.221 1.00 0.00 O ATOM 0 H SER A 10 -17.634 14.946 -6.367 1.00 0.00 H new ATOM 0 HA SER A 10 -15.296 13.290 -6.024 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.281 15.552 -6.101 1.00 0.00 H new ATOM 0 HB3 SER A 10 -15.400 16.109 -4.874 1.00 0.00 H new ATOM 0 HG SER A 10 -13.355 15.479 -3.976 1.00 0.00 H new ATOM 134 N SER A 11 -16.241 12.649 -3.736 1.00 0.00 N ATOM 135 CA SER A 11 -16.931 12.028 -2.594 1.00 0.00 C ATOM 136 C SER A 11 -15.944 11.310 -1.662 1.00 0.00 C ATOM 137 O SER A 11 -14.951 10.742 -2.125 1.00 0.00 O ATOM 138 CB SER A 11 -17.984 11.039 -3.116 1.00 0.00 C ATOM 139 OG SER A 11 -18.632 10.364 -2.043 1.00 0.00 O ATOM 0 H SER A 11 -15.349 12.200 -3.945 1.00 0.00 H new ATOM 0 HA SER A 11 -17.416 12.813 -2.014 1.00 0.00 H new ATOM 0 HB2 SER A 11 -18.724 11.572 -3.713 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.509 10.311 -3.773 1.00 0.00 H new ATOM 0 HG SER A 11 -19.298 9.742 -2.403 1.00 0.00 H new ATOM 145 N ASP A 12 -16.242 11.274 -0.357 1.00 0.00 N ATOM 146 CA ASP A 12 -15.472 10.532 0.660 1.00 0.00 C ATOM 147 C ASP A 12 -15.488 9.004 0.437 1.00 0.00 C ATOM 148 O ASP A 12 -14.657 8.284 0.993 1.00 0.00 O ATOM 149 CB ASP A 12 -16.011 10.862 2.065 1.00 0.00 C ATOM 150 CG ASP A 12 -15.936 12.352 2.457 1.00 0.00 C ATOM 151 OD1 ASP A 12 -15.084 13.102 1.923 1.00 0.00 O ATOM 152 OD2 ASP A 12 -16.719 12.772 3.343 1.00 0.00 O1- ATOM 0 H ASP A 12 -17.043 11.770 0.034 1.00 0.00 H new ATOM 0 HA ASP A 12 -14.434 10.853 0.568 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -17.050 10.538 2.125 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -15.453 10.280 2.798 1.00 0.00 H new ATOM 157 N GLY A 13 -16.399 8.503 -0.410 1.00 0.00 N ATOM 158 CA GLY A 13 -16.474 7.097 -0.840 1.00 0.00 C ATOM 159 C GLY A 13 -15.299 6.604 -1.699 1.00 0.00 C ATOM 160 O GLY A 13 -15.238 5.411 -2.009 1.00 0.00 O ATOM 0 H GLY A 13 -17.127 9.082 -0.828 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -16.542 6.467 0.047 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -17.397 6.956 -1.403 1.00 0.00 H new ATOM 164 N TRP A 14 -14.339 7.472 -2.054 1.00 0.00 N ATOM 165 CA TRP A 14 -13.125 7.116 -2.807 1.00 0.00 C ATOM 166 C TRP A 14 -12.319 5.987 -2.146 1.00 0.00 C ATOM 167 O TRP A 14 -11.707 5.181 -2.844 1.00 0.00 O ATOM 168 CB TRP A 14 -12.246 8.363 -3.002 1.00 0.00 C ATOM 169 CG TRP A 14 -11.476 8.871 -1.811 1.00 0.00 C ATOM 170 CD1 TRP A 14 -11.847 9.893 -1.005 1.00 0.00 C ATOM 171 CD2 TRP A 14 -10.186 8.411 -1.277 1.00 0.00 C ATOM 172 NE1 TRP A 14 -10.904 10.084 -0.013 1.00 0.00 N ATOM 173 CE2 TRP A 14 -9.859 9.198 -0.129 1.00 0.00 C ATOM 174 CE3 TRP A 14 -9.259 7.409 -1.640 1.00 0.00 C ATOM 175 CZ2 TRP A 14 -8.695 8.992 0.626 1.00 0.00 C ATOM 176 CZ3 TRP A 14 -8.081 7.197 -0.893 1.00 0.00 C ATOM 177 CH2 TRP A 14 -7.804 7.980 0.242 1.00 0.00 C ATOM 0 H TRP A 14 -14.386 8.464 -1.820 1.00 0.00 H new ATOM 0 HA TRP A 14 -13.448 6.738 -3.777 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -11.531 8.148 -3.797 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -12.885 9.171 -3.358 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -12.749 10.475 -1.120 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -10.975 10.795 0.715 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.456 6.794 -2.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -8.488 9.604 1.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.386 6.427 -1.195 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -6.907 7.802 0.816 1.00 0.00 H new ATOM 188 N LYS A 15 -12.358 5.897 -0.811 1.00 0.00 N ATOM 189 CA LYS A 15 -11.619 4.920 0.010 1.00 0.00 C ATOM 190 C LYS A 15 -12.035 3.473 -0.265 1.00 0.00 C ATOM 191 O LYS A 15 -11.181 2.589 -0.349 1.00 0.00 O ATOM 192 CB LYS A 15 -11.834 5.245 1.498 1.00 0.00 C ATOM 193 CG LYS A 15 -11.288 6.629 1.882 1.00 0.00 C ATOM 194 CD LYS A 15 -11.539 6.915 3.363 1.00 0.00 C ATOM 195 CE LYS A 15 -10.970 8.289 3.734 1.00 0.00 C ATOM 196 NZ LYS A 15 -11.266 8.640 5.150 1.00 0.00 N1+ ATOM 0 H LYS A 15 -12.928 6.527 -0.247 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.565 5.003 -0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.899 5.202 1.726 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.347 4.484 2.107 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.219 6.675 1.673 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.765 7.396 1.272 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.609 6.887 3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.074 6.142 3.975 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.892 8.292 3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.391 9.048 3.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.867 9.575 5.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.296 8.661 5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.843 7.929 5.780 1.00 0.00 H new ATOM 210 N ASP A 16 -13.329 3.229 -0.463 1.00 0.00 N ATOM 211 CA ASP A 16 -13.869 1.896 -0.772 1.00 0.00 C ATOM 212 C ASP A 16 -13.454 1.434 -2.182 1.00 0.00 C ATOM 213 O ASP A 16 -13.079 0.276 -2.374 1.00 0.00 O ATOM 214 CB ASP A 16 -15.402 1.884 -0.636 1.00 0.00 C ATOM 215 CG ASP A 16 -15.936 2.186 0.780 1.00 0.00 C ATOM 216 OD1 ASP A 16 -17.142 2.507 0.898 1.00 0.00 O ATOM 217 OD2 ASP A 16 -15.182 2.079 1.779 1.00 0.00 O1- ATOM 0 H ASP A 16 -14.044 3.955 -0.414 1.00 0.00 H new ATOM 0 HA ASP A 16 -13.448 1.196 -0.050 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -15.818 2.616 -1.328 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.771 0.906 -0.946 1.00 0.00 H new ATOM 222 N ASP A 17 -13.447 2.342 -3.160 1.00 0.00 N ATOM 223 CA ASP A 17 -12.922 2.086 -4.506 1.00 0.00 C ATOM 224 C ASP A 17 -11.393 1.872 -4.498 1.00 0.00 C ATOM 225 O ASP A 17 -10.874 1.031 -5.234 1.00 0.00 O ATOM 226 CB ASP A 17 -13.312 3.257 -5.426 1.00 0.00 C ATOM 227 CG ASP A 17 -12.990 3.000 -6.910 1.00 0.00 C ATOM 228 OD1 ASP A 17 -13.171 1.859 -7.399 1.00 0.00 O ATOM 229 OD2 ASP A 17 -12.596 3.964 -7.611 1.00 0.00 O1- ATOM 0 H ASP A 17 -13.810 3.288 -3.040 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.362 1.162 -4.883 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -14.379 3.452 -5.322 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.790 4.156 -5.099 1.00 0.00 H new ATOM 234 N TYR A 18 -10.664 2.584 -3.624 1.00 0.00 N ATOM 235 CA TYR A 18 -9.218 2.441 -3.468 1.00 0.00 C ATOM 236 C TYR A 18 -8.852 1.066 -2.900 1.00 0.00 C ATOM 237 O TYR A 18 -8.014 0.374 -3.475 1.00 0.00 O ATOM 238 CB TYR A 18 -8.645 3.596 -2.631 1.00 0.00 C ATOM 239 CG TYR A 18 -7.191 3.916 -2.944 1.00 0.00 C ATOM 240 CD1 TYR A 18 -6.168 3.673 -2.005 1.00 0.00 C ATOM 241 CD2 TYR A 18 -6.872 4.487 -4.195 1.00 0.00 C ATOM 242 CE1 TYR A 18 -4.831 3.987 -2.327 1.00 0.00 C ATOM 243 CE2 TYR A 18 -5.538 4.793 -4.520 1.00 0.00 C ATOM 244 CZ TYR A 18 -4.512 4.538 -3.588 1.00 0.00 C ATOM 245 OH TYR A 18 -3.221 4.825 -3.903 1.00 0.00 O ATOM 0 H TYR A 18 -11.072 3.281 -3.001 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.757 2.500 -4.454 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.248 4.488 -2.798 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -8.733 3.345 -1.574 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.407 3.248 -1.042 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -7.658 4.690 -4.908 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.048 3.805 -1.606 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.300 5.223 -5.482 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.180 5.196 -4.809 1.00 0.00 H new ATOM 255 N LEU A 19 -9.542 0.596 -1.854 1.00 0.00 N ATOM 256 CA LEU A 19 -9.416 -0.787 -1.371 1.00 0.00 C ATOM 257 C LEU A 19 -9.791 -1.821 -2.448 1.00 0.00 C ATOM 258 O LEU A 19 -9.070 -2.803 -2.640 1.00 0.00 O ATOM 259 CB LEU A 19 -10.272 -0.961 -0.095 1.00 0.00 C ATOM 260 CG LEU A 19 -9.474 -0.818 1.215 1.00 0.00 C ATOM 261 CD1 LEU A 19 -8.759 0.527 1.364 1.00 0.00 C ATOM 262 CD2 LEU A 19 -10.408 -1.009 2.411 1.00 0.00 C ATOM 0 H LEU A 19 -10.202 1.161 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.369 -0.972 -1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.074 -0.222 -0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.744 -1.943 -0.117 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.703 -1.588 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.220 0.550 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.055 0.658 0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.492 1.333 1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.840 -0.907 3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.194 -0.254 2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.856 -2.002 2.368 1.00 0.00 H new ATOM 274 N SER A 20 -10.870 -1.584 -3.203 1.00 0.00 N ATOM 275 CA SER A 20 -11.320 -2.497 -4.269 1.00 0.00 C ATOM 276 C SER A 20 -10.270 -2.673 -5.378 1.00 0.00 C ATOM 277 O SER A 20 -10.063 -3.799 -5.839 1.00 0.00 O ATOM 278 CB SER A 20 -12.637 -2.018 -4.885 1.00 0.00 C ATOM 279 OG SER A 20 -13.678 -2.031 -3.918 1.00 0.00 O ATOM 0 H SER A 20 -11.457 -0.757 -3.095 1.00 0.00 H new ATOM 0 HA SER A 20 -11.472 -3.466 -3.794 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.514 -1.010 -5.280 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.906 -2.659 -5.725 1.00 0.00 H new ATOM 0 HG SER A 20 -13.564 -1.275 -3.305 1.00 0.00 H new ATOM 285 N ARG A 21 -9.575 -1.601 -5.783 1.00 0.00 N ATOM 286 CA ARG A 21 -8.493 -1.659 -6.790 1.00 0.00 C ATOM 287 C ARG A 21 -7.161 -2.178 -6.230 1.00 0.00 C ATOM 288 O ARG A 21 -6.505 -2.977 -6.890 1.00 0.00 O ATOM 289 CB ARG A 21 -8.374 -0.313 -7.534 1.00 0.00 C ATOM 290 CG ARG A 21 -7.629 0.800 -6.779 1.00 0.00 C ATOM 291 CD ARG A 21 -7.619 2.134 -7.537 1.00 0.00 C ATOM 292 NE ARG A 21 -6.839 2.061 -8.786 1.00 0.00 N ATOM 293 CZ ARG A 21 -5.525 2.116 -8.912 1.00 0.00 C ATOM 294 NH1 ARG A 21 -4.727 2.268 -7.894 1.00 0.00 N1+ ATOM 295 NH2 ARG A 21 -4.980 2.016 -10.088 1.00 0.00 N ATOM 0 H ARG A 21 -9.744 -0.662 -5.423 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.772 -2.411 -7.528 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.866 -0.486 -8.483 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.377 0.041 -7.770 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.095 0.945 -5.804 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.602 0.484 -6.597 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.643 2.426 -7.767 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.202 2.911 -6.896 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.373 1.956 -9.649 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.111 2.350 -6.953 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.718 2.305 -8.038 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.567 1.895 -10.913 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.966 2.058 -10.185 1.00 0.00 H new ATOM 309 N LEU A 22 -6.783 -1.795 -5.005 1.00 0.00 N ATOM 310 CA LEU A 22 -5.544 -2.238 -4.335 1.00 0.00 C ATOM 311 C LEU A 22 -5.483 -3.764 -4.155 1.00 0.00 C ATOM 312 O LEU A 22 -4.423 -4.363 -4.340 1.00 0.00 O ATOM 313 CB LEU A 22 -5.408 -1.537 -2.973 1.00 0.00 C ATOM 314 CG LEU A 22 -4.524 -0.273 -2.937 1.00 0.00 C ATOM 315 CD1 LEU A 22 -4.741 0.749 -4.058 1.00 0.00 C ATOM 316 CD2 LEU A 22 -4.753 0.418 -1.593 1.00 0.00 C ATOM 0 H LEU A 22 -7.338 -1.156 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.710 -1.960 -4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.406 -1.266 -2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.007 -2.255 -2.258 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.504 -0.627 -3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.061 1.590 -3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.546 0.279 -5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.770 1.107 -4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.140 1.318 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.804 0.689 -1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.478 -0.259 -0.784 1.00 0.00 H new ATOM 328 N SER A 23 -6.619 -4.404 -3.855 1.00 0.00 N ATOM 329 CA SER A 23 -6.735 -5.867 -3.734 1.00 0.00 C ATOM 330 C SER A 23 -6.313 -6.631 -5.006 1.00 0.00 C ATOM 331 O SER A 23 -5.869 -7.781 -4.916 1.00 0.00 O ATOM 332 CB SER A 23 -8.175 -6.226 -3.347 1.00 0.00 C ATOM 333 OG SER A 23 -8.287 -7.590 -2.969 1.00 0.00 O ATOM 0 H SER A 23 -7.498 -3.915 -3.686 1.00 0.00 H new ATOM 0 HA SER A 23 -6.038 -6.181 -2.957 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.501 -5.591 -2.523 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.840 -6.024 -4.187 1.00 0.00 H new ATOM 0 HG SER A 23 -9.216 -7.787 -2.727 1.00 0.00 H new ATOM 339 N ARG A 24 -6.405 -6.011 -6.194 1.00 0.00 N ATOM 340 CA ARG A 24 -6.099 -6.641 -7.493 1.00 0.00 C ATOM 341 C ARG A 24 -4.600 -6.799 -7.785 1.00 0.00 C ATOM 342 O ARG A 24 -4.231 -7.632 -8.618 1.00 0.00 O ATOM 343 CB ARG A 24 -6.776 -5.859 -8.635 1.00 0.00 C ATOM 344 CG ARG A 24 -8.280 -5.583 -8.442 1.00 0.00 C ATOM 345 CD ARG A 24 -9.130 -6.830 -8.138 1.00 0.00 C ATOM 346 NE ARG A 24 -9.084 -7.830 -9.225 1.00 0.00 N ATOM 347 CZ ARG A 24 -9.859 -7.894 -10.295 1.00 0.00 C ATOM 348 NH1 ARG A 24 -10.816 -7.034 -10.511 1.00 0.00 N1+ ATOM 349 NH2 ARG A 24 -9.679 -8.835 -11.178 1.00 0.00 N ATOM 0 H ARG A 24 -6.700 -5.039 -6.282 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.500 -7.653 -7.431 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.261 -4.906 -8.756 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.641 -6.414 -9.563 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.403 -4.869 -7.627 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.667 -5.108 -9.343 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.778 -7.288 -7.213 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.164 -6.528 -7.971 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.372 -8.555 -9.140 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.986 -6.282 -9.844 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.394 -7.114 -11.347 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.939 -9.524 -11.045 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.278 -8.882 -12.002 1.00 0.00 H new ATOM 363 N LEU A 25 -3.729 -6.023 -7.130 1.00 0.00 N ATOM 364 CA LEU A 25 -2.284 -6.043 -7.367 1.00 0.00 C ATOM 365 C LEU A 25 -1.597 -7.280 -6.763 1.00 0.00 C ATOM 366 O LEU A 25 -1.983 -7.784 -5.701 1.00 0.00 O ATOM 367 CB LEU A 25 -1.619 -4.749 -6.852 1.00 0.00 C ATOM 368 CG LEU A 25 -1.814 -3.461 -7.676 1.00 0.00 C ATOM 369 CD1 LEU A 25 -1.671 -3.650 -9.187 1.00 0.00 C ATOM 370 CD2 LEU A 25 -3.151 -2.782 -7.408 1.00 0.00 C ATOM 0 H LEU A 25 -4.013 -5.356 -6.412 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.151 -6.101 -8.447 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.990 -4.561 -5.844 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.548 -4.934 -6.768 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.999 -2.825 -7.332 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.823 -2.695 -9.689 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.673 -4.024 -9.414 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.415 -4.366 -9.536 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.230 -1.881 -8.017 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.963 -3.464 -7.662 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.218 -2.514 -6.354 1.00 0.00 H new ATOM 382 N SER A 26 -0.535 -7.730 -7.436 1.00 0.00 N ATOM 383 CA SER A 26 0.437 -8.717 -6.935 1.00 0.00 C ATOM 384 C SER A 26 1.370 -8.098 -5.878 1.00 0.00 C ATOM 385 O SER A 26 1.466 -6.872 -5.765 1.00 0.00 O ATOM 386 CB SER A 26 1.232 -9.292 -8.117 1.00 0.00 C ATOM 387 OG SER A 26 2.120 -10.316 -7.693 1.00 0.00 O ATOM 0 H SER A 26 -0.317 -7.408 -8.379 1.00 0.00 H new ATOM 0 HA SER A 26 -0.101 -9.527 -6.444 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.543 -9.691 -8.862 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.797 -8.495 -8.600 1.00 0.00 H new ATOM 0 HG SER A 26 2.611 -10.664 -8.466 1.00 0.00 H new ATOM 393 N LYS A 27 2.086 -8.940 -5.118 1.00 0.00 N ATOM 394 CA LYS A 27 2.922 -8.560 -3.956 1.00 0.00 C ATOM 395 C LYS A 27 3.962 -7.478 -4.274 1.00 0.00 C ATOM 396 O LYS A 27 4.152 -6.540 -3.504 1.00 0.00 O ATOM 397 CB LYS A 27 3.622 -9.821 -3.411 1.00 0.00 C ATOM 398 CG LYS A 27 3.858 -9.771 -1.895 1.00 0.00 C ATOM 399 CD LYS A 27 2.591 -10.094 -1.080 1.00 0.00 C ATOM 400 CE LYS A 27 2.791 -9.868 0.427 1.00 0.00 C ATOM 401 NZ LYS A 27 3.838 -10.751 1.006 1.00 0.00 N1+ ATOM 0 H LYS A 27 2.103 -9.944 -5.298 1.00 0.00 H new ATOM 0 HA LYS A 27 2.257 -8.128 -3.208 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.018 -10.696 -3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.579 -9.946 -3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.644 -10.479 -1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.217 -8.779 -1.621 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.768 -9.472 -1.432 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.305 -11.131 -1.254 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.063 -8.827 0.601 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.848 -10.042 0.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.761 -10.747 2.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.708 -11.721 0.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.778 -10.404 0.727 1.00 0.00 H new ATOM 415 N ASN A 28 4.606 -7.583 -5.434 1.00 0.00 N ATOM 416 CA ASN A 28 5.590 -6.606 -5.916 1.00 0.00 C ATOM 417 C ASN A 28 4.943 -5.285 -6.377 1.00 0.00 C ATOM 418 O ASN A 28 5.505 -4.211 -6.151 1.00 0.00 O ATOM 419 CB ASN A 28 6.389 -7.273 -7.050 1.00 0.00 C ATOM 420 CG ASN A 28 7.274 -8.415 -6.572 1.00 0.00 C ATOM 421 OD1 ASN A 28 7.792 -8.423 -5.462 1.00 0.00 O ATOM 422 ND2 ASN A 28 7.478 -9.418 -7.396 1.00 0.00 N ATOM 0 H ASN A 28 4.459 -8.360 -6.078 1.00 0.00 H new ATOM 0 HA ASN A 28 6.252 -6.326 -5.096 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.695 -7.650 -7.801 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.009 -6.522 -7.538 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.066 -10.201 -7.111 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.048 -9.414 -8.321 1.00 0.00 H new ATOM 429 N GLN A 29 3.757 -5.345 -6.983 1.00 0.00 N ATOM 430 CA GLN A 29 3.038 -4.173 -7.498 1.00 0.00 C ATOM 431 C GLN A 29 2.401 -3.326 -6.385 1.00 0.00 C ATOM 432 O GLN A 29 2.525 -2.098 -6.406 1.00 0.00 O ATOM 433 CB GLN A 29 1.988 -4.611 -8.530 1.00 0.00 C ATOM 434 CG GLN A 29 2.570 -5.359 -9.748 1.00 0.00 C ATOM 435 CD GLN A 29 3.644 -4.555 -10.490 1.00 0.00 C ATOM 436 OE1 GLN A 29 4.808 -4.939 -10.573 1.00 0.00 O ATOM 437 NE2 GLN A 29 3.322 -3.389 -11.015 1.00 0.00 N ATOM 0 H GLN A 29 3.259 -6.222 -7.134 1.00 0.00 H new ATOM 0 HA GLN A 29 3.772 -3.531 -7.984 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.258 -5.254 -8.038 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.451 -3.730 -8.882 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.997 -6.305 -9.416 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.762 -5.600 -10.439 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.361 -3.052 -10.957 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.034 -2.825 -11.479 1.00 0.00 H new ATOM 446 N LEU A 30 1.790 -3.963 -5.372 1.00 0.00 N ATOM 447 CA LEU A 30 1.295 -3.253 -4.175 1.00 0.00 C ATOM 448 C LEU A 30 2.441 -2.603 -3.374 1.00 0.00 C ATOM 449 O LEU A 30 2.272 -1.504 -2.843 1.00 0.00 O ATOM 450 CB LEU A 30 0.390 -4.175 -3.324 1.00 0.00 C ATOM 451 CG LEU A 30 1.026 -5.442 -2.714 1.00 0.00 C ATOM 452 CD1 LEU A 30 1.685 -5.233 -1.344 1.00 0.00 C ATOM 453 CD2 LEU A 30 -0.036 -6.538 -2.572 1.00 0.00 C ATOM 0 H LEU A 30 1.626 -4.970 -5.356 1.00 0.00 H new ATOM 0 HA LEU A 30 0.670 -2.423 -4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.021 -3.581 -2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.449 -4.487 -3.946 1.00 0.00 H new ATOM 0 HG LEU A 30 1.819 -5.726 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.104 -6.176 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.480 -4.493 -1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.939 -4.881 -0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.418 -7.431 -2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.836 -6.187 -1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.446 -6.777 -3.553 1.00 0.00 H new ATOM 465 N MET A 31 3.626 -3.229 -3.335 1.00 0.00 N ATOM 466 CA MET A 31 4.816 -2.642 -2.713 1.00 0.00 C ATOM 467 C MET A 31 5.362 -1.452 -3.506 1.00 0.00 C ATOM 468 O MET A 31 5.680 -0.426 -2.903 1.00 0.00 O ATOM 469 CB MET A 31 5.902 -3.702 -2.511 1.00 0.00 C ATOM 470 CG MET A 31 5.682 -4.479 -1.212 1.00 0.00 C ATOM 471 SD MET A 31 7.078 -5.532 -0.726 1.00 0.00 S ATOM 472 CE MET A 31 6.808 -6.963 -1.792 1.00 0.00 C ATOM 0 H MET A 31 3.784 -4.155 -3.734 1.00 0.00 H new ATOM 0 HA MET A 31 4.510 -2.262 -1.738 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.902 -4.392 -3.355 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.881 -3.224 -2.490 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.479 -3.771 -0.409 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.793 -5.101 -1.320 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.474 -7.772 -1.491 1.00 0.00 H new ATOM 0 HE2 MET A 31 5.773 -7.293 -1.703 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.014 -6.690 -2.827 1.00 0.00 H new ATOM 482 N ALA A 32 5.432 -1.538 -4.839 1.00 0.00 N ATOM 483 CA ALA A 32 5.852 -0.419 -5.681 1.00 0.00 C ATOM 484 C ALA A 32 4.906 0.793 -5.538 1.00 0.00 C ATOM 485 O ALA A 32 5.368 1.929 -5.414 1.00 0.00 O ATOM 486 CB ALA A 32 5.947 -0.901 -7.133 1.00 0.00 C ATOM 0 H ALA A 32 5.199 -2.383 -5.360 1.00 0.00 H new ATOM 0 HA ALA A 32 6.833 -0.074 -5.355 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.260 -0.074 -7.771 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.676 -1.708 -7.201 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.973 -1.264 -7.460 1.00 0.00 H new ATOM 492 N LEU A 33 3.589 0.549 -5.488 1.00 0.00 N ATOM 493 CA LEU A 33 2.564 1.573 -5.252 1.00 0.00 C ATOM 494 C LEU A 33 2.733 2.233 -3.869 1.00 0.00 C ATOM 495 O LEU A 33 2.802 3.458 -3.772 1.00 0.00 O ATOM 496 CB LEU A 33 1.183 0.919 -5.473 1.00 0.00 C ATOM 497 CG LEU A 33 -0.084 1.786 -5.346 1.00 0.00 C ATOM 498 CD1 LEU A 33 -0.460 2.131 -3.908 1.00 0.00 C ATOM 499 CD2 LEU A 33 0.005 3.064 -6.181 1.00 0.00 C ATOM 0 H LEU A 33 3.199 -0.385 -5.613 1.00 0.00 H new ATOM 0 HA LEU A 33 2.667 2.397 -5.958 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.183 0.481 -6.471 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.091 0.097 -4.763 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.882 1.158 -5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.362 2.743 -3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.642 1.213 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.355 2.684 -3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.911 3.643 -6.060 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.856 3.658 -5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.133 2.804 -7.232 1.00 0.00 H new ATOM 511 N ALA A 34 2.846 1.436 -2.802 1.00 0.00 N ATOM 512 CA ALA A 34 3.010 1.953 -1.444 1.00 0.00 C ATOM 513 C ALA A 34 4.338 2.715 -1.252 1.00 0.00 C ATOM 514 O ALA A 34 4.353 3.763 -0.610 1.00 0.00 O ATOM 515 CB ALA A 34 2.873 0.780 -0.472 1.00 0.00 C ATOM 0 H ALA A 34 2.826 0.418 -2.857 1.00 0.00 H new ATOM 0 HA ALA A 34 2.233 2.692 -1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.991 1.139 0.550 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.888 0.326 -0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.641 0.037 -0.687 1.00 0.00 H new ATOM 521 N LEU A 35 5.440 2.256 -1.859 1.00 0.00 N ATOM 522 CA LEU A 35 6.738 2.953 -1.851 1.00 0.00 C ATOM 523 C LEU A 35 6.669 4.298 -2.599 1.00 0.00 C ATOM 524 O LEU A 35 7.173 5.302 -2.097 1.00 0.00 O ATOM 525 CB LEU A 35 7.802 1.987 -2.420 1.00 0.00 C ATOM 526 CG LEU A 35 9.291 2.362 -2.286 1.00 0.00 C ATOM 527 CD1 LEU A 35 9.740 3.554 -3.135 1.00 0.00 C ATOM 528 CD2 LEU A 35 9.699 2.620 -0.833 1.00 0.00 C ATOM 0 H LEU A 35 5.458 1.378 -2.378 1.00 0.00 H new ATOM 0 HA LEU A 35 7.019 3.220 -0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.661 1.019 -1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.590 1.850 -3.480 1.00 0.00 H new ATOM 0 HG LEU A 35 9.801 1.479 -2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.802 3.738 -2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.568 3.335 -4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.170 4.439 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.757 2.880 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.107 3.442 -0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.524 1.722 -0.241 1.00 0.00 H new ATOM 540 N LYS A 36 5.982 4.348 -3.750 1.00 0.00 N ATOM 541 CA LYS A 36 5.718 5.579 -4.516 1.00 0.00 C ATOM 542 C LYS A 36 4.924 6.605 -3.693 1.00 0.00 C ATOM 543 O LYS A 36 5.314 7.776 -3.632 1.00 0.00 O ATOM 544 CB LYS A 36 5.026 5.195 -5.838 1.00 0.00 C ATOM 545 CG LYS A 36 4.745 6.392 -6.756 1.00 0.00 C ATOM 546 CD LYS A 36 4.183 5.911 -8.096 1.00 0.00 C ATOM 547 CE LYS A 36 3.834 7.108 -8.990 1.00 0.00 C ATOM 548 NZ LYS A 36 3.371 6.665 -10.330 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.585 3.516 -4.185 1.00 0.00 H new ATOM 0 HA LYS A 36 6.658 6.077 -4.752 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.651 4.479 -6.371 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.086 4.692 -5.613 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.036 7.068 -6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.663 6.957 -6.920 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.913 5.276 -8.597 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.294 5.303 -7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.057 7.706 -8.514 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.708 7.750 -9.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.143 7.497 -10.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.123 6.115 -10.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.523 6.072 -10.226 1.00 0.00 H new ATOM 562 N LEU A 37 3.881 6.169 -2.987 1.00 0.00 N ATOM 563 CA LEU A 37 3.145 6.997 -2.019 1.00 0.00 C ATOM 564 C LEU A 37 4.043 7.460 -0.856 1.00 0.00 C ATOM 565 O LEU A 37 3.945 8.610 -0.419 1.00 0.00 O ATOM 566 CB LEU A 37 1.943 6.203 -1.472 1.00 0.00 C ATOM 567 CG LEU A 37 0.590 6.449 -2.161 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.602 6.289 -3.682 1.00 0.00 C ATOM 569 CD2 LEU A 37 -0.427 5.467 -1.571 1.00 0.00 C ATOM 0 H LEU A 37 3.515 5.220 -3.069 1.00 0.00 H new ATOM 0 HA LEU A 37 2.797 7.890 -2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.175 5.140 -1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.834 6.435 -0.413 1.00 0.00 H new ATOM 0 HG LEU A 37 0.333 7.492 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.396 6.482 -4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.307 6.997 -4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.903 5.273 -3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.397 5.621 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.093 4.445 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.515 5.636 -0.498 1.00 0.00 H new ATOM 581 N LYS A 38 4.934 6.591 -0.352 1.00 0.00 N ATOM 582 CA LYS A 38 5.804 6.893 0.793 1.00 0.00 C ATOM 583 C LYS A 38 6.853 7.957 0.468 1.00 0.00 C ATOM 584 O LYS A 38 6.974 8.924 1.215 1.00 0.00 O ATOM 585 CB LYS A 38 6.440 5.605 1.348 1.00 0.00 C ATOM 586 CG LYS A 38 7.102 5.777 2.725 1.00 0.00 C ATOM 587 CD LYS A 38 6.105 6.239 3.797 1.00 0.00 C ATOM 588 CE LYS A 38 6.696 6.176 5.207 1.00 0.00 C ATOM 589 NZ LYS A 38 5.714 6.669 6.209 1.00 0.00 N1+ ATOM 0 H LYS A 38 5.071 5.654 -0.731 1.00 0.00 H new ATOM 0 HA LYS A 38 5.176 7.321 1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.672 4.835 1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.187 5.246 0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.549 4.831 3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.912 6.503 2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.792 7.261 3.582 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.212 5.616 3.752 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.980 5.150 5.442 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.604 6.777 5.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.217 6.972 7.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.189 7.475 5.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.049 5.906 6.448 1.00 0.00 H new ATOM 603 N GLN A 39 7.570 7.845 -0.655 1.00 0.00 N ATOM 604 CA GLN A 39 8.581 8.842 -1.045 1.00 0.00 C ATOM 605 C GLN A 39 7.953 10.219 -1.322 1.00 0.00 C ATOM 606 O GLN A 39 8.561 11.242 -1.006 1.00 0.00 O ATOM 607 CB GLN A 39 9.438 8.340 -2.219 1.00 0.00 C ATOM 608 CG GLN A 39 8.698 8.205 -3.557 1.00 0.00 C ATOM 609 CD GLN A 39 9.642 7.822 -4.692 1.00 0.00 C ATOM 610 OE1 GLN A 39 10.116 8.660 -5.450 1.00 0.00 O ATOM 611 NE2 GLN A 39 9.964 6.554 -4.854 1.00 0.00 N ATOM 0 H GLN A 39 7.471 7.073 -1.314 1.00 0.00 H new ATOM 0 HA GLN A 39 9.252 8.978 -0.197 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.277 9.023 -2.353 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.856 7.369 -1.954 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.916 7.451 -3.465 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.206 9.148 -3.796 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.577 5.846 -4.230 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.600 6.281 -5.603 1.00 0.00 H new ATOM 620 N GLN A 40 6.715 10.260 -1.829 1.00 0.00 N ATOM 621 CA GLN A 40 5.961 11.497 -2.060 1.00 0.00 C ATOM 622 C GLN A 40 5.682 12.277 -0.762 1.00 0.00 C ATOM 623 O GLN A 40 5.910 13.489 -0.712 1.00 0.00 O ATOM 624 CB GLN A 40 4.658 11.150 -2.796 1.00 0.00 C ATOM 625 CG GLN A 40 4.884 10.920 -4.298 1.00 0.00 C ATOM 626 CD GLN A 40 3.722 10.216 -5.006 1.00 0.00 C ATOM 627 OE1 GLN A 40 2.701 9.859 -4.434 1.00 0.00 O ATOM 628 NE2 GLN A 40 3.822 9.987 -6.297 1.00 0.00 N ATOM 0 H GLN A 40 6.201 9.420 -2.095 1.00 0.00 H new ATOM 0 HA GLN A 40 6.569 12.161 -2.675 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.221 10.254 -2.355 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.939 11.957 -2.658 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.059 11.882 -4.779 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.789 10.327 -4.432 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.661 10.273 -6.802 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.061 9.524 -6.793 1.00 0.00 H new ATOM 637 N GLN A 41 5.232 11.610 0.305 1.00 0.00 N ATOM 638 CA GLN A 41 5.050 12.249 1.621 1.00 0.00 C ATOM 639 C GLN A 41 6.383 12.548 2.347 1.00 0.00 C ATOM 640 O GLN A 41 6.460 13.531 3.089 1.00 0.00 O ATOM 641 CB GLN A 41 4.075 11.437 2.502 1.00 0.00 C ATOM 642 CG GLN A 41 4.555 10.034 2.906 1.00 0.00 C ATOM 643 CD GLN A 41 3.730 9.401 4.024 1.00 0.00 C ATOM 644 OE1 GLN A 41 4.253 8.913 5.017 1.00 0.00 O ATOM 645 NE2 GLN A 41 2.419 9.377 3.918 1.00 0.00 N ATOM 0 H GLN A 41 4.984 10.621 0.287 1.00 0.00 H new ATOM 0 HA GLN A 41 4.600 13.224 1.434 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.872 12.007 3.409 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.129 11.338 1.970 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.525 9.384 2.032 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.596 10.093 3.224 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.966 9.779 3.097 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.855 8.956 4.657 1.00 0.00 H new ATOM 654 N LEU A 42 7.447 11.758 2.124 1.00 0.00 N ATOM 655 CA LEU A 42 8.771 11.987 2.721 1.00 0.00 C ATOM 656 C LEU A 42 9.498 13.210 2.126 1.00 0.00 C ATOM 657 O LEU A 42 10.155 13.953 2.860 1.00 0.00 O ATOM 658 CB LEU A 42 9.631 10.706 2.592 1.00 0.00 C ATOM 659 CG LEU A 42 9.686 9.851 3.870 1.00 0.00 C ATOM 660 CD1 LEU A 42 8.322 9.393 4.392 1.00 0.00 C ATOM 661 CD2 LEU A 42 10.536 8.604 3.611 1.00 0.00 C ATOM 0 H LEU A 42 7.411 10.937 1.520 1.00 0.00 H new ATOM 0 HA LEU A 42 8.619 12.216 3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.236 10.098 1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.646 10.990 2.314 1.00 0.00 H new ATOM 0 HG LEU A 42 10.117 10.498 4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.459 8.797 5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.709 10.265 4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.825 8.791 3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.576 7.997 4.515 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.092 8.022 2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.546 8.904 3.330 1.00 0.00 H new ATOM 673 N GLU A 43 9.368 13.453 0.818 1.00 0.00 N ATOM 674 CA GLU A 43 9.937 14.644 0.163 1.00 0.00 C ATOM 675 C GLU A 43 9.209 15.951 0.537 1.00 0.00 C ATOM 676 O GLU A 43 9.832 17.012 0.599 1.00 0.00 O ATOM 677 CB GLU A 43 9.915 14.457 -1.364 1.00 0.00 C ATOM 678 CG GLU A 43 10.976 13.458 -1.871 1.00 0.00 C ATOM 679 CD GLU A 43 12.428 13.905 -1.611 1.00 0.00 C ATOM 680 OE1 GLU A 43 13.280 13.045 -1.277 1.00 0.00 O ATOM 681 OE2 GLU A 43 12.744 15.113 -1.750 1.00 0.00 O1- ATOM 0 H GLU A 43 8.867 12.833 0.181 1.00 0.00 H new ATOM 0 HA GLU A 43 10.962 14.741 0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.927 14.112 -1.667 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.076 15.422 -1.844 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.812 12.493 -1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.838 13.309 -2.942 1.00 0.00 H new ATOM 688 N GLN A 44 7.894 15.890 0.785 1.00 0.00 N ATOM 689 CA GLN A 44 7.049 17.059 1.078 1.00 0.00 C ATOM 690 C GLN A 44 6.877 17.364 2.585 1.00 0.00 C ATOM 691 O GLN A 44 6.528 18.496 2.936 1.00 0.00 O ATOM 692 CB GLN A 44 5.689 16.864 0.390 1.00 0.00 C ATOM 693 CG GLN A 44 5.794 16.960 -1.139 1.00 0.00 C ATOM 694 CD GLN A 44 4.467 16.639 -1.823 1.00 0.00 C ATOM 695 OE1 GLN A 44 3.784 17.504 -2.365 1.00 0.00 O ATOM 696 NE2 GLN A 44 4.035 15.395 -1.807 1.00 0.00 N ATOM 0 H GLN A 44 7.376 15.011 0.788 1.00 0.00 H new ATOM 0 HA GLN A 44 7.560 17.936 0.682 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.281 15.891 0.664 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.989 17.617 0.753 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.113 17.964 -1.418 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.561 16.272 -1.494 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.593 14.667 -1.360 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.143 15.159 -2.241 1.00 0.00 H new ATOM 705 N GLY A 45 7.126 16.389 3.473 1.00 0.00 N ATOM 706 CA GLY A 45 7.056 16.518 4.942 1.00 0.00 C ATOM 707 C GLY A 45 8.362 16.985 5.587 1.00 0.00 C ATOM 708 O GLY A 45 8.645 18.206 5.557 1.00 0.00 O ATOM 709 OXT GLY A 45 9.088 16.128 6.137 1.00 0.00 O1- ATOM 0 H GLY A 45 7.393 15.450 3.178 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.264 17.222 5.198 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.776 15.555 5.368 1.00 0.00 H new TER 713 GLY A 45 ATOM 714 N GLY B 101 37.048 17.838 2.214 1.00 0.00 N ATOM 715 CA GLY B 101 38.161 18.701 2.670 1.00 0.00 C ATOM 716 C GLY B 101 38.660 18.311 4.060 1.00 0.00 C ATOM 717 O GLY B 101 38.090 17.415 4.686 1.00 0.00 O ATOM 0 HA2 GLY B 101 38.984 18.636 1.959 1.00 0.00 H new ATOM 0 HA3 GLY B 101 37.832 19.740 2.682 1.00 0.00 H new ATOM 723 N PRO B 102 39.704 18.979 4.592 1.00 0.00 N ATOM 724 CA PRO B 102 40.316 18.639 5.888 1.00 0.00 C ATOM 725 C PRO B 102 39.366 18.731 7.098 1.00 0.00 C ATOM 726 O PRO B 102 39.530 17.979 8.066 1.00 0.00 O ATOM 727 CB PRO B 102 41.501 19.603 6.046 1.00 0.00 C ATOM 728 CG PRO B 102 41.868 19.940 4.606 1.00 0.00 C ATOM 729 CD PRO B 102 40.508 19.980 3.915 1.00 0.00 C ATOM 0 HA PRO B 102 40.613 17.590 5.879 1.00 0.00 H new ATOM 0 HB2 PRO B 102 41.224 20.493 6.610 1.00 0.00 H new ATOM 0 HB3 PRO B 102 42.332 19.137 6.575 1.00 0.00 H new ATOM 0 HG2 PRO B 102 42.388 20.895 4.533 1.00 0.00 H new ATOM 0 HG3 PRO B 102 42.523 19.187 4.168 1.00 0.00 H new ATOM 0 HD2 PRO B 102 40.055 20.968 3.995 1.00 0.00 H new ATOM 0 HD3 PRO B 102 40.600 19.757 2.852 1.00 0.00 H new ATOM 737 N GLY B 103 38.364 19.620 7.052 1.00 0.00 N ATOM 738 CA GLY B 103 37.356 19.830 8.104 1.00 0.00 C ATOM 739 C GLY B 103 36.099 18.952 8.009 1.00 0.00 C ATOM 740 O GLY B 103 35.240 19.022 8.894 1.00 0.00 O ATOM 0 H GLY B 103 38.227 20.237 6.251 1.00 0.00 H new ATOM 0 HA2 GLY B 103 37.826 19.655 9.072 1.00 0.00 H new ATOM 0 HA3 GLY B 103 37.049 20.876 8.083 1.00 0.00 H new ATOM 744 N SER B 104 35.961 18.141 6.949 1.00 0.00 N ATOM 745 CA SER B 104 34.752 17.344 6.681 1.00 0.00 C ATOM 746 C SER B 104 34.539 16.211 7.698 1.00 0.00 C ATOM 747 O SER B 104 35.451 15.427 7.982 1.00 0.00 O ATOM 748 CB SER B 104 34.789 16.758 5.262 1.00 0.00 C ATOM 749 OG SER B 104 34.900 17.787 4.289 1.00 0.00 O ATOM 0 H SER B 104 36.691 18.018 6.247 1.00 0.00 H new ATOM 0 HA SER B 104 33.911 18.031 6.777 1.00 0.00 H new ATOM 0 HB2 SER B 104 35.632 16.073 5.170 1.00 0.00 H new ATOM 0 HB3 SER B 104 33.885 16.177 5.081 1.00 0.00 H new ATOM 0 HG SER B 104 35.681 17.618 3.722 1.00 0.00 H new ATOM 755 N MET B 105 33.321 16.116 8.232 1.00 0.00 N ATOM 756 CA MET B 105 32.867 15.039 9.128 1.00 0.00 C ATOM 757 C MET B 105 32.518 13.744 8.363 1.00 0.00 C ATOM 758 O MET B 105 32.486 13.720 7.128 1.00 0.00 O ATOM 759 CB MET B 105 31.653 15.538 9.938 1.00 0.00 C ATOM 760 CG MET B 105 31.984 16.734 10.845 1.00 0.00 C ATOM 761 SD MET B 105 30.598 17.352 11.850 1.00 0.00 S ATOM 762 CE MET B 105 30.378 15.978 13.023 1.00 0.00 C ATOM 0 H MET B 105 32.594 16.808 8.050 1.00 0.00 H new ATOM 0 HA MET B 105 33.687 14.788 9.801 1.00 0.00 H new ATOM 0 HB2 MET B 105 30.856 15.821 9.250 1.00 0.00 H new ATOM 0 HB3 MET B 105 31.271 14.721 10.550 1.00 0.00 H new ATOM 0 HG2 MET B 105 32.797 16.449 11.513 1.00 0.00 H new ATOM 0 HG3 MET B 105 32.353 17.550 10.223 1.00 0.00 H new ATOM 0 HE1 MET B 105 29.648 16.261 13.782 1.00 0.00 H new ATOM 0 HE2 MET B 105 30.024 15.097 12.489 1.00 0.00 H new ATOM 0 HE3 MET B 105 31.331 15.753 13.502 1.00 0.00 H new ATOM 772 N ASN B 106 32.205 12.674 9.105 1.00 0.00 N ATOM 773 CA ASN B 106 31.629 11.432 8.572 1.00 0.00 C ATOM 774 C ASN B 106 30.270 11.663 7.874 1.00 0.00 C ATOM 775 O ASN B 106 29.580 12.655 8.136 1.00 0.00 O ATOM 776 CB ASN B 106 31.510 10.408 9.713 1.00 0.00 C ATOM 777 CG ASN B 106 30.553 10.850 10.819 1.00 0.00 C ATOM 778 OD1 ASN B 106 30.914 11.601 11.719 1.00 0.00 O ATOM 779 ND2 ASN B 106 29.310 10.415 10.788 1.00 0.00 N ATOM 0 H ASN B 106 32.348 12.647 10.115 1.00 0.00 H new ATOM 0 HA ASN B 106 32.295 11.044 7.802 1.00 0.00 H new ATOM 0 HB2 ASN B 106 31.169 9.457 9.305 1.00 0.00 H new ATOM 0 HB3 ASN B 106 32.497 10.235 10.142 1.00 0.00 H new ATOM 0 HD21 ASN B 106 28.651 10.703 11.511 1.00 0.00 H new ATOM 0 HD22 ASN B 106 29.007 9.790 10.041 1.00 0.00 H new ATOM 786 N LYS B 107 29.873 10.726 7.001 1.00 0.00 N ATOM 787 CA LYS B 107 28.621 10.791 6.222 1.00 0.00 C ATOM 788 C LYS B 107 27.370 10.757 7.130 1.00 0.00 C ATOM 789 O LYS B 107 27.361 10.004 8.110 1.00 0.00 O ATOM 790 CB LYS B 107 28.559 9.633 5.213 1.00 0.00 C ATOM 791 CG LYS B 107 29.628 9.759 4.111 1.00 0.00 C ATOM 792 CD LYS B 107 29.528 8.598 3.109 1.00 0.00 C ATOM 793 CE LYS B 107 30.608 8.746 2.031 1.00 0.00 C ATOM 794 NZ LYS B 107 30.523 7.651 1.024 1.00 0.00 N1+ ATOM 0 H LYS B 107 30.420 9.886 6.811 1.00 0.00 H new ATOM 0 HA LYS B 107 28.622 11.742 5.690 1.00 0.00 H new ATOM 0 HB2 LYS B 107 28.693 8.688 5.739 1.00 0.00 H new ATOM 0 HB3 LYS B 107 27.570 9.606 4.755 1.00 0.00 H new ATOM 0 HG2 LYS B 107 29.505 10.707 3.587 1.00 0.00 H new ATOM 0 HG3 LYS B 107 30.620 9.770 4.562 1.00 0.00 H new ATOM 0 HD2 LYS B 107 29.647 7.647 3.628 1.00 0.00 H new ATOM 0 HD3 LYS B 107 28.540 8.588 2.648 1.00 0.00 H new ATOM 0 HE2 LYS B 107 30.498 9.710 1.533 1.00 0.00 H new ATOM 0 HE3 LYS B 107 31.593 8.738 2.497 1.00 0.00 H new ATOM 0 HZ1 LYS B 107 31.267 7.779 0.308 1.00 0.00 H new ATOM 0 HZ2 LYS B 107 30.652 6.734 1.497 1.00 0.00 H new ATOM 0 HZ3 LYS B 107 29.591 7.675 0.563 1.00 0.00 H new ATOM 808 N PRO B 108 26.303 11.518 6.803 1.00 0.00 N ATOM 809 CA PRO B 108 25.017 11.479 7.505 1.00 0.00 C ATOM 810 C PRO B 108 24.218 10.201 7.185 1.00 0.00 C ATOM 811 O PRO B 108 24.492 9.495 6.205 1.00 0.00 O ATOM 812 CB PRO B 108 24.283 12.738 7.030 1.00 0.00 C ATOM 813 CG PRO B 108 24.779 12.905 5.597 1.00 0.00 C ATOM 814 CD PRO B 108 26.239 12.466 5.697 1.00 0.00 C ATOM 0 HA PRO B 108 25.147 11.459 8.587 1.00 0.00 H new ATOM 0 HB2 PRO B 108 23.201 12.614 7.071 1.00 0.00 H new ATOM 0 HB3 PRO B 108 24.528 13.604 7.645 1.00 0.00 H new ATOM 0 HG2 PRO B 108 24.216 12.286 4.898 1.00 0.00 H new ATOM 0 HG3 PRO B 108 24.688 13.936 5.254 1.00 0.00 H new ATOM 0 HD2 PRO B 108 26.571 12.003 4.768 1.00 0.00 H new ATOM 0 HD3 PRO B 108 26.891 13.320 5.878 1.00 0.00 H new ATOM 822 N THR B 109 23.200 9.909 7.995 1.00 0.00 N ATOM 823 CA THR B 109 22.234 8.816 7.758 1.00 0.00 C ATOM 824 C THR B 109 21.190 9.248 6.716 1.00 0.00 C ATOM 825 O THR B 109 20.104 9.725 7.060 1.00 0.00 O ATOM 826 CB THR B 109 21.578 8.344 9.072 1.00 0.00 C ATOM 827 OG1 THR B 109 22.574 7.961 10.008 1.00 0.00 O ATOM 828 CG2 THR B 109 20.689 7.115 8.880 1.00 0.00 C ATOM 0 H THR B 109 23.013 10.430 8.852 1.00 0.00 H new ATOM 0 HA THR B 109 22.775 7.959 7.357 1.00 0.00 H new ATOM 0 HB THR B 109 20.980 9.186 9.421 1.00 0.00 H new ATOM 0 HG1 THR B 109 22.146 7.665 10.838 1.00 0.00 H new ATOM 0 HG21 THR B 109 20.254 6.828 9.837 1.00 0.00 H new ATOM 0 HG22 THR B 109 19.892 7.349 8.175 1.00 0.00 H new ATOM 0 HG23 THR B 109 21.287 6.291 8.491 1.00 0.00 H new ATOM 836 N SER B 110 21.545 9.130 5.433 1.00 0.00 N ATOM 837 CA SER B 110 20.782 9.664 4.285 1.00 0.00 C ATOM 838 C SER B 110 20.684 8.691 3.091 1.00 0.00 C ATOM 839 O SER B 110 20.266 9.075 1.996 1.00 0.00 O ATOM 840 CB SER B 110 21.371 11.012 3.840 1.00 0.00 C ATOM 841 OG SER B 110 21.396 11.954 4.906 1.00 0.00 O ATOM 0 H SER B 110 22.397 8.646 5.149 1.00 0.00 H new ATOM 0 HA SER B 110 19.759 9.804 4.636 1.00 0.00 H new ATOM 0 HB2 SER B 110 22.383 10.861 3.465 1.00 0.00 H new ATOM 0 HB3 SER B 110 20.782 11.412 3.015 1.00 0.00 H new ATOM 0 HG SER B 110 21.778 12.798 4.587 1.00 0.00 H new ATOM 847 N SER B 111 21.089 7.427 3.273 1.00 0.00 N ATOM 848 CA SER B 111 21.161 6.391 2.231 1.00 0.00 C ATOM 849 C SER B 111 19.780 5.957 1.703 1.00 0.00 C ATOM 850 O SER B 111 18.782 5.986 2.425 1.00 0.00 O ATOM 851 CB SER B 111 21.911 5.164 2.773 1.00 0.00 C ATOM 852 OG SER B 111 23.182 5.523 3.309 1.00 0.00 O ATOM 0 H SER B 111 21.387 7.083 4.186 1.00 0.00 H new ATOM 0 HA SER B 111 21.696 6.831 1.390 1.00 0.00 H new ATOM 0 HB2 SER B 111 21.312 4.682 3.546 1.00 0.00 H new ATOM 0 HB3 SER B 111 22.045 4.436 1.973 1.00 0.00 H new ATOM 0 HG SER B 111 23.633 4.721 3.647 1.00 0.00 H new ATOM 858 N ASP B 112 19.737 5.471 0.463 1.00 0.00 N ATOM 859 CA ASP B 112 18.550 4.878 -0.186 1.00 0.00 C ATOM 860 C ASP B 112 18.043 3.565 0.458 1.00 0.00 C ATOM 861 O ASP B 112 16.935 3.117 0.152 1.00 0.00 O ATOM 862 CB ASP B 112 18.870 4.629 -1.673 1.00 0.00 C ATOM 863 CG ASP B 112 19.020 5.941 -2.452 1.00 0.00 C ATOM 864 OD1 ASP B 112 20.159 6.431 -2.641 1.00 0.00 O ATOM 865 OD2 ASP B 112 17.982 6.478 -2.905 1.00 0.00 O1- ATOM 0 H ASP B 112 20.555 5.476 -0.147 1.00 0.00 H new ATOM 0 HA ASP B 112 17.741 5.597 -0.057 1.00 0.00 H new ATOM 0 HB2 ASP B 112 19.790 4.051 -1.755 1.00 0.00 H new ATOM 0 HB3 ASP B 112 18.077 4.030 -2.120 1.00 0.00 H new ATOM 870 N GLY B 113 18.810 2.958 1.368 1.00 0.00 N ATOM 871 CA GLY B 113 18.481 1.697 2.045 1.00 0.00 C ATOM 872 C GLY B 113 17.155 1.694 2.819 1.00 0.00 C ATOM 873 O GLY B 113 16.601 0.616 3.052 1.00 0.00 O ATOM 0 H GLY B 113 19.707 3.342 1.665 1.00 0.00 H new ATOM 0 HA2 GLY B 113 18.450 0.901 1.300 1.00 0.00 H new ATOM 0 HA3 GLY B 113 19.287 1.454 2.737 1.00 0.00 H new ATOM 877 N TRP B 114 16.591 2.865 3.151 1.00 0.00 N ATOM 878 CA TRP B 114 15.245 2.966 3.740 1.00 0.00 C ATOM 879 C TRP B 114 14.173 2.338 2.834 1.00 0.00 C ATOM 880 O TRP B 114 13.224 1.745 3.344 1.00 0.00 O ATOM 881 CB TRP B 114 14.903 4.434 4.065 1.00 0.00 C ATOM 882 CG TRP B 114 14.412 5.298 2.936 1.00 0.00 C ATOM 883 CD1 TRP B 114 15.151 6.205 2.257 1.00 0.00 C ATOM 884 CD2 TRP B 114 13.066 5.367 2.347 1.00 0.00 C ATOM 885 NE1 TRP B 114 14.370 6.824 1.301 1.00 0.00 N ATOM 886 CE2 TRP B 114 13.073 6.345 1.303 1.00 0.00 C ATOM 887 CE3 TRP B 114 11.840 4.705 2.591 1.00 0.00 C ATOM 888 CZ2 TRP B 114 11.938 6.626 0.524 1.00 0.00 C ATOM 889 CZ3 TRP B 114 10.699 4.972 1.812 1.00 0.00 C ATOM 890 CH2 TRP B 114 10.742 5.925 0.777 1.00 0.00 C ATOM 0 H TRP B 114 17.052 3.766 3.020 1.00 0.00 H new ATOM 0 HA TRP B 114 15.251 2.398 4.670 1.00 0.00 H new ATOM 0 HB2 TRP B 114 14.143 4.437 4.846 1.00 0.00 H new ATOM 0 HB3 TRP B 114 15.794 4.902 4.484 1.00 0.00 H new ATOM 0 HD1 TRP B 114 16.195 6.414 2.436 1.00 0.00 H new ATOM 0 HE1 TRP B 114 14.710 7.549 0.668 1.00 0.00 H new ATOM 0 HE3 TRP B 114 11.779 3.981 3.390 1.00 0.00 H new ATOM 0 HZ2 TRP B 114 11.982 7.369 -0.258 1.00 0.00 H new ATOM 0 HZ3 TRP B 114 9.780 4.440 2.010 1.00 0.00 H new ATOM 0 HH2 TRP B 114 9.863 6.118 0.180 1.00 0.00 H new ATOM 901 N LYS B 115 14.342 2.407 1.506 1.00 0.00 N ATOM 902 CA LYS B 115 13.414 1.859 0.505 1.00 0.00 C ATOM 903 C LYS B 115 13.358 0.331 0.569 1.00 0.00 C ATOM 904 O LYS B 115 12.275 -0.251 0.575 1.00 0.00 O ATOM 905 CB LYS B 115 13.842 2.330 -0.898 1.00 0.00 C ATOM 906 CG LYS B 115 13.807 3.860 -1.052 1.00 0.00 C ATOM 907 CD LYS B 115 14.560 4.308 -2.301 1.00 0.00 C ATOM 908 CE LYS B 115 14.436 5.828 -2.438 1.00 0.00 C ATOM 909 NZ LYS B 115 15.294 6.345 -3.530 1.00 0.00 N1+ ATOM 0 H LYS B 115 15.153 2.860 1.085 1.00 0.00 H new ATOM 0 HA LYS B 115 12.411 2.227 0.722 1.00 0.00 H new ATOM 0 HB2 LYS B 115 14.851 1.972 -1.104 1.00 0.00 H new ATOM 0 HB3 LYS B 115 13.186 1.880 -1.643 1.00 0.00 H new ATOM 0 HG2 LYS B 115 12.772 4.199 -1.107 1.00 0.00 H new ATOM 0 HG3 LYS B 115 14.249 4.327 -0.171 1.00 0.00 H new ATOM 0 HD2 LYS B 115 15.609 4.020 -2.232 1.00 0.00 H new ATOM 0 HD3 LYS B 115 14.152 3.816 -3.184 1.00 0.00 H new ATOM 0 HE2 LYS B 115 13.397 6.094 -2.633 1.00 0.00 H new ATOM 0 HE3 LYS B 115 14.715 6.303 -1.498 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 14.943 7.275 -3.837 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 16.272 6.439 -3.188 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 15.270 5.684 -4.333 1.00 0.00 H new ATOM 923 N ASP B 116 14.517 -0.313 0.702 1.00 0.00 N ATOM 924 CA ASP B 116 14.626 -1.771 0.873 1.00 0.00 C ATOM 925 C ASP B 116 14.050 -2.229 2.220 1.00 0.00 C ATOM 926 O ASP B 116 13.344 -3.237 2.278 1.00 0.00 O ATOM 927 CB ASP B 116 16.091 -2.214 0.733 1.00 0.00 C ATOM 928 CG ASP B 116 16.729 -1.945 -0.640 1.00 0.00 C ATOM 929 OD1 ASP B 116 16.005 -1.758 -1.651 1.00 0.00 O ATOM 930 OD2 ASP B 116 17.979 -1.955 -0.726 1.00 0.00 O1- ATOM 0 H ASP B 116 15.419 0.163 0.695 1.00 0.00 H new ATOM 0 HA ASP B 116 14.036 -2.244 0.088 1.00 0.00 H new ATOM 0 HB2 ASP B 116 16.682 -1.706 1.496 1.00 0.00 H new ATOM 0 HB3 ASP B 116 16.152 -3.282 0.941 1.00 0.00 H new ATOM 935 N ASP B 117 14.286 -1.466 3.295 1.00 0.00 N ATOM 936 CA ASP B 117 13.687 -1.716 4.613 1.00 0.00 C ATOM 937 C ASP B 117 12.163 -1.470 4.650 1.00 0.00 C ATOM 938 O ASP B 117 11.460 -2.067 5.471 1.00 0.00 O ATOM 939 CB ASP B 117 14.390 -0.859 5.677 1.00 0.00 C ATOM 940 CG ASP B 117 15.882 -1.180 5.915 1.00 0.00 C ATOM 941 OD1 ASP B 117 16.363 -2.284 5.562 1.00 0.00 O ATOM 942 OD2 ASP B 117 16.566 -0.333 6.540 1.00 0.00 O1- ATOM 0 H ASP B 117 14.902 -0.653 3.275 1.00 0.00 H new ATOM 0 HA ASP B 117 13.832 -2.775 4.829 1.00 0.00 H new ATOM 0 HB2 ASP B 117 14.304 0.189 5.389 1.00 0.00 H new ATOM 0 HB3 ASP B 117 13.857 -0.975 6.621 1.00 0.00 H new ATOM 947 N TYR B 118 11.627 -0.614 3.768 1.00 0.00 N ATOM 948 CA TYR B 118 10.182 -0.408 3.619 1.00 0.00 C ATOM 949 C TYR B 118 9.535 -1.558 2.834 1.00 0.00 C ATOM 950 O TYR B 118 8.557 -2.140 3.298 1.00 0.00 O ATOM 951 CB TYR B 118 9.902 0.977 3.011 1.00 0.00 C ATOM 952 CG TYR B 118 8.547 1.538 3.408 1.00 0.00 C ATOM 953 CD1 TYR B 118 7.517 1.698 2.459 1.00 0.00 C ATOM 954 CD2 TYR B 118 8.326 1.904 4.753 1.00 0.00 C ATOM 955 CE1 TYR B 118 6.261 2.200 2.861 1.00 0.00 C ATOM 956 CE2 TYR B 118 7.069 2.386 5.162 1.00 0.00 C ATOM 957 CZ TYR B 118 6.028 2.518 4.221 1.00 0.00 C ATOM 958 OH TYR B 118 4.808 2.949 4.642 1.00 0.00 O ATOM 0 H TYR B 118 12.188 -0.043 3.136 1.00 0.00 H new ATOM 0 HA TYR B 118 9.715 -0.421 4.604 1.00 0.00 H new ATOM 0 HB2 TYR B 118 10.682 1.670 3.326 1.00 0.00 H new ATOM 0 HB3 TYR B 118 9.956 0.908 1.925 1.00 0.00 H new ATOM 0 HD1 TYR B 118 7.689 1.437 1.425 1.00 0.00 H new ATOM 0 HD2 TYR B 118 9.126 1.814 5.472 1.00 0.00 H new ATOM 0 HE1 TYR B 118 5.477 2.342 2.131 1.00 0.00 H new ATOM 0 HE2 TYR B 118 6.902 2.654 6.195 1.00 0.00 H new ATOM 0 HH TYR B 118 4.836 3.117 5.607 1.00 0.00 H new ATOM 968 N LEU B 119 10.124 -1.994 1.715 1.00 0.00 N ATOM 969 CA LEU B 119 9.686 -3.202 0.999 1.00 0.00 C ATOM 970 C LEU B 119 9.759 -4.450 1.903 1.00 0.00 C ATOM 971 O LEU B 119 8.817 -5.243 1.939 1.00 0.00 O ATOM 972 CB LEU B 119 10.537 -3.374 -0.272 1.00 0.00 C ATOM 973 CG LEU B 119 9.885 -2.780 -1.533 1.00 0.00 C ATOM 974 CD1 LEU B 119 9.545 -1.291 -1.438 1.00 0.00 C ATOM 975 CD2 LEU B 119 10.818 -2.966 -2.732 1.00 0.00 C ATOM 0 H LEU B 119 10.916 -1.522 1.279 1.00 0.00 H new ATOM 0 HA LEU B 119 8.641 -3.086 0.712 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.507 -2.901 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU B 119 10.723 -4.436 -0.434 1.00 0.00 H new ATOM 0 HG LEU B 119 8.945 -3.320 -1.647 1.00 0.00 H new ATOM 0 HD11 LEU B 119 9.090 -0.961 -2.372 1.00 0.00 H new ATOM 0 HD12 LEU B 119 8.846 -1.129 -0.617 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.456 -0.721 -1.257 1.00 0.00 H new ATOM 0 HD21 LEU B 119 10.353 -2.544 -3.623 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.763 -2.457 -2.540 1.00 0.00 H new ATOM 0 HD23 LEU B 119 11.003 -4.029 -2.888 1.00 0.00 H new ATOM 987 N SER B 120 10.825 -4.586 2.699 1.00 0.00 N ATOM 988 CA SER B 120 10.996 -5.692 3.647 1.00 0.00 C ATOM 989 C SER B 120 9.850 -5.785 4.663 1.00 0.00 C ATOM 990 O SER B 120 9.292 -6.869 4.861 1.00 0.00 O ATOM 991 CB SER B 120 12.340 -5.549 4.367 1.00 0.00 C ATOM 992 OG SER B 120 12.548 -6.620 5.274 1.00 0.00 O ATOM 0 H SER B 120 11.601 -3.924 2.703 1.00 0.00 H new ATOM 0 HA SER B 120 10.979 -6.619 3.074 1.00 0.00 H new ATOM 0 HB2 SER B 120 13.148 -5.525 3.635 1.00 0.00 H new ATOM 0 HB3 SER B 120 12.369 -4.601 4.905 1.00 0.00 H new ATOM 0 HG SER B 120 13.413 -6.507 5.720 1.00 0.00 H new ATOM 998 N ARG B 121 9.449 -4.655 5.273 1.00 0.00 N ATOM 999 CA ARG B 121 8.349 -4.611 6.252 1.00 0.00 C ATOM 1000 C ARG B 121 6.956 -4.728 5.625 1.00 0.00 C ATOM 1001 O ARG B 121 6.111 -5.433 6.173 1.00 0.00 O ATOM 1002 CB ARG B 121 8.523 -3.428 7.208 1.00 0.00 C ATOM 1003 CG ARG B 121 7.955 -2.110 6.691 1.00 0.00 C ATOM 1004 CD ARG B 121 8.357 -0.954 7.592 1.00 0.00 C ATOM 1005 NE ARG B 121 9.780 -0.587 7.417 1.00 0.00 N ATOM 1006 CZ ARG B 121 10.379 0.483 7.899 1.00 0.00 C ATOM 1007 NH1 ARG B 121 9.756 1.359 8.632 1.00 0.00 N1+ ATOM 1008 NH2 ARG B 121 11.635 0.692 7.644 1.00 0.00 N ATOM 0 H ARG B 121 9.879 -3.746 5.101 1.00 0.00 H new ATOM 0 HA ARG B 121 8.415 -5.513 6.860 1.00 0.00 H new ATOM 0 HB2 ARG B 121 8.043 -3.669 8.156 1.00 0.00 H new ATOM 0 HB3 ARG B 121 9.585 -3.296 7.413 1.00 0.00 H new ATOM 0 HG2 ARG B 121 8.313 -1.928 5.678 1.00 0.00 H new ATOM 0 HG3 ARG B 121 6.868 -2.174 6.638 1.00 0.00 H new ATOM 0 HD2 ARG B 121 7.730 -0.089 7.375 1.00 0.00 H new ATOM 0 HD3 ARG B 121 8.177 -1.225 8.632 1.00 0.00 H new ATOM 0 HE ARG B 121 10.355 -1.227 6.868 1.00 0.00 H new ATOM 0 HH11 ARG B 121 8.768 1.230 8.852 1.00 0.00 H new ATOM 0 HH12 ARG B 121 10.255 2.175 8.987 1.00 0.00 H new ATOM 0 HH21 ARG B 121 12.156 0.028 7.071 1.00 0.00 H new ATOM 0 HH22 ARG B 121 12.100 1.520 8.016 1.00 0.00 H new ATOM 1022 N LEU B 122 6.718 -4.114 4.463 1.00 0.00 N ATOM 1023 CA LEU B 122 5.427 -4.134 3.755 1.00 0.00 C ATOM 1024 C LEU B 122 4.982 -5.555 3.378 1.00 0.00 C ATOM 1025 O LEU B 122 3.805 -5.886 3.525 1.00 0.00 O ATOM 1026 CB LEU B 122 5.516 -3.256 2.492 1.00 0.00 C ATOM 1027 CG LEU B 122 4.987 -1.817 2.634 1.00 0.00 C ATOM 1028 CD1 LEU B 122 5.444 -1.060 3.884 1.00 0.00 C ATOM 1029 CD2 LEU B 122 5.415 -1.014 1.405 1.00 0.00 C ATOM 0 H LEU B 122 7.432 -3.575 3.973 1.00 0.00 H new ATOM 0 HA LEU B 122 4.675 -3.736 4.436 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.559 -3.210 2.178 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.964 -3.748 1.691 1.00 0.00 H new ATOM 0 HG LEU B 122 3.906 -1.917 2.727 1.00 0.00 H new ATOM 0 HD11 LEU B 122 5.013 -0.059 3.881 1.00 0.00 H new ATOM 0 HD12 LEU B 122 5.114 -1.595 4.774 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.531 -0.986 3.887 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.047 0.008 1.492 1.00 0.00 H new ATOM 0 HD22 LEU B 122 6.503 -1.003 1.338 1.00 0.00 H new ATOM 0 HD23 LEU B 122 5.001 -1.474 0.508 1.00 0.00 H new ATOM 1041 N SER B 123 5.912 -6.410 2.941 1.00 0.00 N ATOM 1042 CA SER B 123 5.622 -7.806 2.576 1.00 0.00 C ATOM 1043 C SER B 123 5.111 -8.661 3.759 1.00 0.00 C ATOM 1044 O SER B 123 4.457 -9.687 3.541 1.00 0.00 O ATOM 1045 CB SER B 123 6.870 -8.430 1.947 1.00 0.00 C ATOM 1046 OG SER B 123 6.552 -9.664 1.320 1.00 0.00 O ATOM 0 H SER B 123 6.893 -6.155 2.829 1.00 0.00 H new ATOM 0 HA SER B 123 4.805 -7.792 1.855 1.00 0.00 H new ATOM 0 HB2 SER B 123 7.297 -7.744 1.215 1.00 0.00 H new ATOM 0 HB3 SER B 123 7.628 -8.590 2.713 1.00 0.00 H new ATOM 0 HG SER B 123 7.362 -10.047 0.922 1.00 0.00 H new ATOM 1052 N ARG B 124 5.369 -8.261 5.015 1.00 0.00 N ATOM 1053 CA ARG B 124 4.941 -8.994 6.226 1.00 0.00 C ATOM 1054 C ARG B 124 3.452 -8.830 6.568 1.00 0.00 C ATOM 1055 O ARG B 124 2.901 -9.684 7.272 1.00 0.00 O ATOM 1056 CB ARG B 124 5.791 -8.580 7.445 1.00 0.00 C ATOM 1057 CG ARG B 124 7.320 -8.663 7.257 1.00 0.00 C ATOM 1058 CD ARG B 124 7.825 -9.992 6.683 1.00 0.00 C ATOM 1059 NE ARG B 124 7.466 -11.144 7.538 1.00 0.00 N ATOM 1060 CZ ARG B 124 7.341 -12.401 7.151 1.00 0.00 C ATOM 1061 NH1 ARG B 124 7.550 -12.784 5.920 1.00 0.00 N1+ ATOM 1062 NH2 ARG B 124 6.992 -13.318 8.010 1.00 0.00 N ATOM 0 H ARG B 124 5.888 -7.408 5.225 1.00 0.00 H new ATOM 0 HA ARG B 124 5.097 -10.047 5.992 1.00 0.00 H new ATOM 0 HB2 ARG B 124 5.532 -7.556 7.714 1.00 0.00 H new ATOM 0 HB3 ARG B 124 5.513 -9.211 8.289 1.00 0.00 H new ATOM 0 HG2 ARG B 124 7.635 -7.855 6.597 1.00 0.00 H new ATOM 0 HG3 ARG B 124 7.800 -8.493 8.221 1.00 0.00 H new ATOM 0 HD2 ARG B 124 7.407 -10.137 5.687 1.00 0.00 H new ATOM 0 HD3 ARG B 124 8.908 -9.949 6.571 1.00 0.00 H new ATOM 0 HE ARG B 124 7.298 -10.949 8.525 1.00 0.00 H new ATOM 0 HH11 ARG B 124 7.822 -12.101 5.213 1.00 0.00 H new ATOM 0 HH12 ARG B 124 7.442 -13.766 5.666 1.00 0.00 H new ATOM 0 HH21 ARG B 124 6.815 -13.065 8.982 1.00 0.00 H new ATOM 0 HH22 ARG B 124 6.896 -14.288 7.710 1.00 0.00 H new ATOM 1076 N LEU B 125 2.796 -7.765 6.102 1.00 0.00 N ATOM 1077 CA LEU B 125 1.381 -7.483 6.381 1.00 0.00 C ATOM 1078 C LEU B 125 0.438 -8.442 5.630 1.00 0.00 C ATOM 1079 O LEU B 125 0.691 -8.829 4.486 1.00 0.00 O ATOM 1080 CB LEU B 125 1.033 -6.010 6.077 1.00 0.00 C ATOM 1081 CG LEU B 125 1.507 -4.933 7.080 1.00 0.00 C ATOM 1082 CD1 LEU B 125 1.254 -5.297 8.544 1.00 0.00 C ATOM 1083 CD2 LEU B 125 2.986 -4.585 6.927 1.00 0.00 C ATOM 0 H LEU B 125 3.238 -7.061 5.510 1.00 0.00 H new ATOM 0 HA LEU B 125 1.228 -7.653 7.447 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.448 -5.763 5.100 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -0.051 -5.933 5.991 1.00 0.00 H new ATOM 0 HG LEU B 125 0.898 -4.066 6.825 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.613 -4.493 9.186 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.185 -5.439 8.704 1.00 0.00 H new ATOM 0 HD13 LEU B 125 1.783 -6.219 8.786 1.00 0.00 H new ATOM 0 HD21 LEU B 125 3.258 -3.824 7.658 1.00 0.00 H new ATOM 0 HD22 LEU B 125 3.589 -5.478 7.091 1.00 0.00 H new ATOM 0 HD23 LEU B 125 3.168 -4.204 5.922 1.00 0.00 H new ATOM 1095 N SER B 126 -0.680 -8.787 6.276 1.00 0.00 N ATOM 1096 CA SER B 126 -1.817 -9.506 5.674 1.00 0.00 C ATOM 1097 C SER B 126 -2.498 -8.685 4.563 1.00 0.00 C ATOM 1098 O SER B 126 -2.320 -7.468 4.476 1.00 0.00 O ATOM 1099 CB SER B 126 -2.809 -9.890 6.788 1.00 0.00 C ATOM 1100 OG SER B 126 -3.903 -10.625 6.273 1.00 0.00 O ATOM 0 H SER B 126 -0.827 -8.569 7.262 1.00 0.00 H new ATOM 0 HA SER B 126 -1.448 -10.411 5.192 1.00 0.00 H new ATOM 0 HB2 SER B 126 -2.296 -10.481 7.546 1.00 0.00 H new ATOM 0 HB3 SER B 126 -3.174 -8.988 7.280 1.00 0.00 H new ATOM 0 HG SER B 126 -4.515 -10.856 7.003 1.00 0.00 H new ATOM 1106 N LYS B 127 -3.313 -9.329 3.714 1.00 0.00 N ATOM 1107 CA LYS B 127 -3.988 -8.710 2.559 1.00 0.00 C ATOM 1108 C LYS B 127 -4.879 -7.520 2.956 1.00 0.00 C ATOM 1109 O LYS B 127 -4.901 -6.517 2.255 1.00 0.00 O ATOM 1110 CB LYS B 127 -4.767 -9.804 1.803 1.00 0.00 C ATOM 1111 CG LYS B 127 -5.325 -9.368 0.437 1.00 0.00 C ATOM 1112 CD LYS B 127 -4.233 -9.074 -0.600 1.00 0.00 C ATOM 1113 CE LYS B 127 -4.875 -8.864 -1.974 1.00 0.00 C ATOM 1114 NZ LYS B 127 -3.863 -8.624 -3.036 1.00 0.00 N1+ ATOM 0 H LYS B 127 -3.528 -10.321 3.813 1.00 0.00 H new ATOM 0 HA LYS B 127 -3.235 -8.282 1.897 1.00 0.00 H new ATOM 0 HB2 LYS B 127 -4.111 -10.662 1.655 1.00 0.00 H new ATOM 0 HB3 LYS B 127 -5.595 -10.139 2.428 1.00 0.00 H new ATOM 0 HG2 LYS B 127 -5.979 -10.151 0.053 1.00 0.00 H new ATOM 0 HG3 LYS B 127 -5.938 -8.477 0.571 1.00 0.00 H new ATOM 0 HD2 LYS B 127 -3.671 -8.186 -0.310 1.00 0.00 H new ATOM 0 HD3 LYS B 127 -3.524 -9.901 -0.641 1.00 0.00 H new ATOM 0 HE2 LYS B 127 -5.470 -9.740 -2.233 1.00 0.00 H new ATOM 0 HE3 LYS B 127 -5.559 -8.016 -1.928 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 -4.339 -8.305 -3.904 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 -3.194 -7.893 -2.719 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 -3.347 -9.506 -3.229 1.00 0.00 H new ATOM 1128 N ASN B 128 -5.565 -7.595 4.096 1.00 0.00 N ATOM 1129 CA ASN B 128 -6.333 -6.477 4.657 1.00 0.00 C ATOM 1130 C ASN B 128 -5.426 -5.365 5.231 1.00 0.00 C ATOM 1131 O ASN B 128 -5.681 -4.175 5.028 1.00 0.00 O ATOM 1132 CB ASN B 128 -7.283 -7.041 5.732 1.00 0.00 C ATOM 1133 CG ASN B 128 -8.193 -5.969 6.311 1.00 0.00 C ATOM 1134 OD1 ASN B 128 -8.880 -5.243 5.599 1.00 0.00 O ATOM 1135 ND2 ASN B 128 -8.240 -5.821 7.616 1.00 0.00 N ATOM 0 H ASN B 128 -5.605 -8.441 4.664 1.00 0.00 H new ATOM 0 HA ASN B 128 -6.906 -6.003 3.860 1.00 0.00 H new ATOM 0 HB2 ASN B 128 -7.890 -7.835 5.298 1.00 0.00 H new ATOM 0 HB3 ASN B 128 -6.697 -7.490 6.534 1.00 0.00 H new ATOM 0 HD21 ASN B 128 -8.843 -5.108 8.027 1.00 0.00 H new ATOM 0 HD22 ASN B 128 -7.673 -6.419 8.218 1.00 0.00 H new ATOM 1142 N GLN B 129 -4.349 -5.743 5.923 1.00 0.00 N ATOM 1143 CA GLN B 129 -3.446 -4.809 6.610 1.00 0.00 C ATOM 1144 C GLN B 129 -2.599 -3.974 5.631 1.00 0.00 C ATOM 1145 O GLN B 129 -2.446 -2.769 5.840 1.00 0.00 O ATOM 1146 CB GLN B 129 -2.539 -5.591 7.571 1.00 0.00 C ATOM 1147 CG GLN B 129 -3.252 -6.234 8.773 1.00 0.00 C ATOM 1148 CD GLN B 129 -3.590 -5.255 9.899 1.00 0.00 C ATOM 1149 OE1 GLN B 129 -3.586 -4.038 9.754 1.00 0.00 O ATOM 1150 NE2 GLN B 129 -3.880 -5.751 11.082 1.00 0.00 N ATOM 0 H GLN B 129 -4.073 -6.720 6.025 1.00 0.00 H new ATOM 0 HA GLN B 129 -4.062 -4.104 7.168 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -2.032 -6.375 7.009 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -1.768 -4.918 7.945 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -4.173 -6.703 8.426 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -2.621 -7.027 9.174 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -3.889 -6.761 11.223 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -4.096 -5.126 11.858 1.00 0.00 H new ATOM 1159 N LEU B 130 -2.105 -4.571 4.534 1.00 0.00 N ATOM 1160 CA LEU B 130 -1.390 -3.822 3.483 1.00 0.00 C ATOM 1161 C LEU B 130 -2.294 -2.787 2.794 1.00 0.00 C ATOM 1162 O LEU B 130 -1.824 -1.711 2.419 1.00 0.00 O ATOM 1163 CB LEU B 130 -0.706 -4.788 2.491 1.00 0.00 C ATOM 1164 CG LEU B 130 -1.620 -5.673 1.614 1.00 0.00 C ATOM 1165 CD1 LEU B 130 -2.124 -5.003 0.325 1.00 0.00 C ATOM 1166 CD2 LEU B 130 -0.864 -6.940 1.208 1.00 0.00 C ATOM 0 H LEU B 130 -2.187 -5.571 4.350 1.00 0.00 H new ATOM 0 HA LEU B 130 -0.598 -3.244 3.959 1.00 0.00 H new ATOM 0 HB2 LEU B 130 -0.073 -4.198 1.829 1.00 0.00 H new ATOM 0 HB3 LEU B 130 -0.047 -5.444 3.060 1.00 0.00 H new ATOM 0 HG LEU B 130 -2.493 -5.881 2.232 1.00 0.00 H new ATOM 0 HD11 LEU B 130 -2.757 -5.700 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU B 130 -2.700 -4.113 0.579 1.00 0.00 H new ATOM 0 HD13 LEU B 130 -1.273 -4.720 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU B 130 -1.508 -7.565 0.589 1.00 0.00 H new ATOM 0 HD22 LEU B 130 0.027 -6.667 0.644 1.00 0.00 H new ATOM 0 HD23 LEU B 130 -0.573 -7.492 2.102 1.00 0.00 H new ATOM 1178 N MET B 131 -3.596 -3.073 2.670 1.00 0.00 N ATOM 1179 CA MET B 131 -4.576 -2.129 2.117 1.00 0.00 C ATOM 1180 C MET B 131 -4.887 -0.993 3.092 1.00 0.00 C ATOM 1181 O MET B 131 -4.887 0.167 2.677 1.00 0.00 O ATOM 1182 CB MET B 131 -5.861 -2.849 1.689 1.00 0.00 C ATOM 1183 CG MET B 131 -5.631 -3.652 0.408 1.00 0.00 C ATOM 1184 SD MET B 131 -7.142 -4.218 -0.413 1.00 0.00 S ATOM 1185 CE MET B 131 -7.415 -5.788 0.442 1.00 0.00 C ATOM 0 H MET B 131 -4.000 -3.966 2.951 1.00 0.00 H new ATOM 0 HA MET B 131 -4.125 -1.684 1.230 1.00 0.00 H new ATOM 0 HB2 MET B 131 -6.194 -3.514 2.486 1.00 0.00 H new ATOM 0 HB3 MET B 131 -6.656 -2.120 1.529 1.00 0.00 H new ATOM 0 HG2 MET B 131 -5.062 -3.039 -0.291 1.00 0.00 H new ATOM 0 HG3 MET B 131 -5.016 -4.520 0.645 1.00 0.00 H new ATOM 0 HE1 MET B 131 -8.460 -6.080 0.341 1.00 0.00 H new ATOM 0 HE2 MET B 131 -6.779 -6.557 0.003 1.00 0.00 H new ATOM 0 HE3 MET B 131 -7.171 -5.674 1.498 1.00 0.00 H new ATOM 1195 N ALA B 132 -5.064 -1.290 4.381 1.00 0.00 N ATOM 1196 CA ALA B 132 -5.213 -0.269 5.418 1.00 0.00 C ATOM 1197 C ALA B 132 -3.988 0.663 5.493 1.00 0.00 C ATOM 1198 O ALA B 132 -4.143 1.882 5.606 1.00 0.00 O ATOM 1199 CB ALA B 132 -5.482 -0.972 6.754 1.00 0.00 C ATOM 0 H ALA B 132 -5.108 -2.246 4.735 1.00 0.00 H new ATOM 0 HA ALA B 132 -6.056 0.376 5.171 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -5.596 -0.226 7.541 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -6.396 -1.562 6.677 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -4.646 -1.628 6.995 1.00 0.00 H new ATOM 1205 N LEU B 133 -2.770 0.115 5.368 1.00 0.00 N ATOM 1206 CA LEU B 133 -1.521 0.880 5.332 1.00 0.00 C ATOM 1207 C LEU B 133 -1.425 1.779 4.085 1.00 0.00 C ATOM 1208 O LEU B 133 -1.137 2.970 4.211 1.00 0.00 O ATOM 1209 CB LEU B 133 -0.339 -0.098 5.426 1.00 0.00 C ATOM 1210 CG LEU B 133 1.053 0.563 5.362 1.00 0.00 C ATOM 1211 CD1 LEU B 133 1.292 1.528 6.531 1.00 0.00 C ATOM 1212 CD2 LEU B 133 2.131 -0.517 5.400 1.00 0.00 C ATOM 0 H LEU B 133 -2.626 -0.892 5.288 1.00 0.00 H new ATOM 0 HA LEU B 133 -1.496 1.558 6.185 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.419 -0.654 6.360 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -0.419 -0.822 4.616 1.00 0.00 H new ATOM 0 HG LEU B 133 1.098 1.132 4.433 1.00 0.00 H new ATOM 0 HD11 LEU B 133 2.285 1.968 6.442 1.00 0.00 H new ATOM 0 HD12 LEU B 133 0.541 2.318 6.510 1.00 0.00 H new ATOM 0 HD13 LEU B 133 1.219 0.984 7.473 1.00 0.00 H new ATOM 0 HD21 LEU B 133 3.115 -0.051 5.355 1.00 0.00 H new ATOM 0 HD22 LEU B 133 2.042 -1.088 6.324 1.00 0.00 H new ATOM 0 HD23 LEU B 133 2.007 -1.185 4.548 1.00 0.00 H new ATOM 1224 N ALA B 134 -1.689 1.243 2.893 1.00 0.00 N ATOM 1225 CA ALA B 134 -1.652 2.011 1.650 1.00 0.00 C ATOM 1226 C ALA B 134 -2.727 3.120 1.615 1.00 0.00 C ATOM 1227 O ALA B 134 -2.457 4.229 1.155 1.00 0.00 O ATOM 1228 CB ALA B 134 -1.794 1.038 0.479 1.00 0.00 C ATOM 0 H ALA B 134 -1.935 0.262 2.763 1.00 0.00 H new ATOM 0 HA ALA B 134 -0.697 2.532 1.577 1.00 0.00 H new ATOM 0 HB1 ALA B 134 -1.769 1.592 -0.459 1.00 0.00 H new ATOM 0 HB2 ALA B 134 -0.973 0.322 0.500 1.00 0.00 H new ATOM 0 HB3 ALA B 134 -2.742 0.506 0.561 1.00 0.00 H new ATOM 1234 N LEU B 135 -3.923 2.847 2.159 1.00 0.00 N ATOM 1235 CA LEU B 135 -4.999 3.825 2.332 1.00 0.00 C ATOM 1236 C LEU B 135 -4.598 4.936 3.318 1.00 0.00 C ATOM 1237 O LEU B 135 -4.786 6.117 3.018 1.00 0.00 O ATOM 1238 CB LEU B 135 -6.269 3.056 2.761 1.00 0.00 C ATOM 1239 CG LEU B 135 -7.628 3.789 2.753 1.00 0.00 C ATOM 1240 CD1 LEU B 135 -7.738 4.935 3.754 1.00 0.00 C ATOM 1241 CD2 LEU B 135 -7.975 4.314 1.364 1.00 0.00 C ATOM 0 H LEU B 135 -4.171 1.917 2.498 1.00 0.00 H new ATOM 0 HA LEU B 135 -5.202 4.344 1.395 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -6.361 2.185 2.112 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -6.102 2.684 3.772 1.00 0.00 H new ATOM 0 HG LEU B 135 -8.342 3.025 3.060 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -8.725 5.391 3.678 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -7.592 4.551 4.764 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -6.975 5.683 3.537 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -8.938 4.824 1.398 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -7.206 5.013 1.037 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -8.030 3.481 0.663 1.00 0.00 H new ATOM 1253 N LYS B 136 -3.975 4.585 4.454 1.00 0.00 N ATOM 1254 CA LYS B 136 -3.414 5.539 5.430 1.00 0.00 C ATOM 1255 C LYS B 136 -2.370 6.463 4.783 1.00 0.00 C ATOM 1256 O LYS B 136 -2.471 7.684 4.915 1.00 0.00 O ATOM 1257 CB LYS B 136 -2.857 4.771 6.644 1.00 0.00 C ATOM 1258 CG LYS B 136 -2.329 5.714 7.736 1.00 0.00 C ATOM 1259 CD LYS B 136 -1.933 4.984 9.029 1.00 0.00 C ATOM 1260 CE LYS B 136 -0.755 4.017 8.818 1.00 0.00 C ATOM 1261 NZ LYS B 136 -0.331 3.388 10.097 1.00 0.00 N1+ ATOM 0 H LYS B 136 -3.843 3.611 4.727 1.00 0.00 H new ATOM 0 HA LYS B 136 -4.210 6.194 5.785 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -3.640 4.137 7.061 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -2.053 4.111 6.317 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -1.464 6.255 7.352 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -3.093 6.457 7.966 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -1.666 5.717 9.790 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -2.792 4.430 9.408 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -1.042 3.242 8.108 1.00 0.00 H new ATOM 0 HE3 LYS B 136 0.085 4.556 8.380 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 0.465 2.742 9.919 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 -0.034 4.127 10.766 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -1.126 2.854 10.502 1.00 0.00 H new ATOM 1275 N LEU B 137 -1.437 5.906 4.012 1.00 0.00 N ATOM 1276 CA LEU B 137 -0.462 6.674 3.224 1.00 0.00 C ATOM 1277 C LEU B 137 -1.152 7.609 2.218 1.00 0.00 C ATOM 1278 O LEU B 137 -0.720 8.756 2.059 1.00 0.00 O ATOM 1279 CB LEU B 137 0.471 5.702 2.482 1.00 0.00 C ATOM 1280 CG LEU B 137 1.848 5.494 3.125 1.00 0.00 C ATOM 1281 CD1 LEU B 137 1.782 4.963 4.556 1.00 0.00 C ATOM 1282 CD2 LEU B 137 2.630 4.490 2.272 1.00 0.00 C ATOM 0 H LEU B 137 -1.332 4.896 3.913 1.00 0.00 H new ATOM 0 HA LEU B 137 0.114 7.296 3.909 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -0.026 4.735 2.406 1.00 0.00 H new ATOM 0 HB3 LEU B 137 0.615 6.068 1.465 1.00 0.00 H new ATOM 0 HG LEU B 137 2.332 6.470 3.169 1.00 0.00 H new ATOM 0 HD11 LEU B 137 2.793 4.841 4.946 1.00 0.00 H new ATOM 0 HD12 LEU B 137 1.235 5.669 5.181 1.00 0.00 H new ATOM 0 HD13 LEU B 137 1.271 4.000 4.564 1.00 0.00 H new ATOM 0 HD21 LEU B 137 3.614 4.327 2.712 1.00 0.00 H new ATOM 0 HD22 LEU B 137 2.088 3.545 2.235 1.00 0.00 H new ATOM 0 HD23 LEU B 137 2.745 4.883 1.262 1.00 0.00 H new ATOM 1294 N LYS B 138 -2.223 7.149 1.552 1.00 0.00 N ATOM 1295 CA LYS B 138 -2.930 7.940 0.530 1.00 0.00 C ATOM 1296 C LYS B 138 -3.684 9.125 1.138 1.00 0.00 C ATOM 1297 O LYS B 138 -3.520 10.246 0.665 1.00 0.00 O ATOM 1298 CB LYS B 138 -3.843 7.038 -0.321 1.00 0.00 C ATOM 1299 CG LYS B 138 -4.401 7.733 -1.580 1.00 0.00 C ATOM 1300 CD LYS B 138 -3.297 8.213 -2.539 1.00 0.00 C ATOM 1301 CE LYS B 138 -3.872 8.810 -3.823 1.00 0.00 C ATOM 1302 NZ LYS B 138 -2.789 9.296 -4.715 1.00 0.00 N1+ ATOM 0 H LYS B 138 -2.622 6.223 1.705 1.00 0.00 H new ATOM 0 HA LYS B 138 -2.182 8.371 -0.135 1.00 0.00 H new ATOM 0 HB2 LYS B 138 -3.284 6.152 -0.623 1.00 0.00 H new ATOM 0 HB3 LYS B 138 -4.676 6.696 0.293 1.00 0.00 H new ATOM 0 HG2 LYS B 138 -5.059 7.043 -2.108 1.00 0.00 H new ATOM 0 HG3 LYS B 138 -5.009 8.586 -1.279 1.00 0.00 H new ATOM 0 HD2 LYS B 138 -2.680 8.959 -2.037 1.00 0.00 H new ATOM 0 HD3 LYS B 138 -2.645 7.376 -2.789 1.00 0.00 H new ATOM 0 HE2 LYS B 138 -4.467 8.059 -4.343 1.00 0.00 H new ATOM 0 HE3 LYS B 138 -4.543 9.633 -3.577 1.00 0.00 H new ATOM 0 HZ1 LYS B 138 -3.172 10.006 -5.371 1.00 0.00 H new ATOM 0 HZ2 LYS B 138 -2.034 9.726 -4.143 1.00 0.00 H new ATOM 0 HZ3 LYS B 138 -2.401 8.498 -5.257 1.00 0.00 H new ATOM 1316 N GLN B 139 -4.443 8.921 2.217 1.00 0.00 N ATOM 1317 CA GLN B 139 -5.138 10.020 2.897 1.00 0.00 C ATOM 1318 C GLN B 139 -4.154 11.030 3.529 1.00 0.00 C ATOM 1319 O GLN B 139 -4.438 12.229 3.535 1.00 0.00 O ATOM 1320 CB GLN B 139 -6.186 9.494 3.896 1.00 0.00 C ATOM 1321 CG GLN B 139 -5.604 8.864 5.165 1.00 0.00 C ATOM 1322 CD GLN B 139 -6.688 8.491 6.179 1.00 0.00 C ATOM 1323 OE1 GLN B 139 -7.379 7.383 5.991 1.00 0.00 O flip ATOM 1324 NE2 GLN B 139 -6.935 9.185 7.157 1.00 0.00 N flip ATOM 0 H GLN B 139 -4.593 8.005 2.640 1.00 0.00 H new ATOM 0 HA GLN B 139 -5.687 10.578 2.138 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -6.839 10.318 4.183 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -6.808 8.754 3.392 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -5.037 7.972 4.898 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -4.903 9.561 5.625 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -6.410 10.045 7.318 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -7.665 8.903 7.811 1.00 0.00 H new ATOM 1333 N GLN B 140 -2.971 10.586 3.985 1.00 0.00 N ATOM 1334 CA GLN B 140 -1.908 11.478 4.471 1.00 0.00 C ATOM 1335 C GLN B 140 -1.418 12.442 3.381 1.00 0.00 C ATOM 1336 O GLN B 140 -1.412 13.651 3.608 1.00 0.00 O ATOM 1337 CB GLN B 140 -0.738 10.656 5.032 1.00 0.00 C ATOM 1338 CG GLN B 140 -1.027 10.102 6.438 1.00 0.00 C ATOM 1339 CD GLN B 140 -0.034 9.022 6.883 1.00 0.00 C ATOM 1340 OE1 GLN B 140 0.813 8.538 6.141 1.00 0.00 O ATOM 1341 NE2 GLN B 140 -0.089 8.603 8.130 1.00 0.00 N ATOM 0 H GLN B 140 -2.726 9.597 4.027 1.00 0.00 H new ATOM 0 HA GLN B 140 -2.332 12.086 5.270 1.00 0.00 H new ATOM 0 HB2 GLN B 140 -0.523 9.828 4.356 1.00 0.00 H new ATOM 0 HB3 GLN B 140 0.156 11.279 5.067 1.00 0.00 H new ATOM 0 HG2 GLN B 140 -1.005 10.923 7.155 1.00 0.00 H new ATOM 0 HG3 GLN B 140 -2.035 9.688 6.457 1.00 0.00 H new ATOM 0 HE21 GLN B 140 -0.785 8.990 8.768 1.00 0.00 H new ATOM 0 HE22 GLN B 140 0.564 7.892 8.458 1.00 0.00 H new ATOM 1350 N GLN B 141 -1.052 11.955 2.185 1.00 0.00 N ATOM 1351 CA GLN B 141 -0.591 12.835 1.096 1.00 0.00 C ATOM 1352 C GLN B 141 -1.712 13.723 0.504 1.00 0.00 C ATOM 1353 O GLN B 141 -1.425 14.807 -0.012 1.00 0.00 O ATOM 1354 CB GLN B 141 0.157 12.036 0.017 1.00 0.00 C ATOM 1355 CG GLN B 141 -0.716 11.032 -0.759 1.00 0.00 C ATOM 1356 CD GLN B 141 -0.068 10.549 -2.054 1.00 0.00 C ATOM 1357 OE1 GLN B 141 -0.699 10.495 -3.104 1.00 0.00 O ATOM 1358 NE2 GLN B 141 1.202 10.202 -2.053 1.00 0.00 N ATOM 0 H GLN B 141 -1.065 10.963 1.947 1.00 0.00 H new ATOM 0 HA GLN B 141 0.117 13.534 1.541 1.00 0.00 H new ATOM 0 HB2 GLN B 141 0.601 12.735 -0.692 1.00 0.00 H new ATOM 0 HB3 GLN B 141 0.978 11.495 0.488 1.00 0.00 H new ATOM 0 HG2 GLN B 141 -0.924 10.173 -0.122 1.00 0.00 H new ATOM 0 HG3 GLN B 141 -1.674 11.497 -0.991 1.00 0.00 H new ATOM 0 HE21 GLN B 141 1.741 10.241 -1.188 1.00 0.00 H new ATOM 0 HE22 GLN B 141 1.647 9.894 -2.917 1.00 0.00 H new ATOM 1367 N LEU B 142 -2.980 13.308 0.607 1.00 0.00 N ATOM 1368 CA LEU B 142 -4.149 14.127 0.238 1.00 0.00 C ATOM 1369 C LEU B 142 -4.402 15.270 1.251 1.00 0.00 C ATOM 1370 O LEU B 142 -4.729 16.387 0.838 1.00 0.00 O ATOM 1371 CB LEU B 142 -5.390 13.218 0.099 1.00 0.00 C ATOM 1372 CG LEU B 142 -5.704 12.777 -1.344 1.00 0.00 C ATOM 1373 CD1 LEU B 142 -4.548 12.085 -2.072 1.00 0.00 C ATOM 1374 CD2 LEU B 142 -6.888 11.810 -1.335 1.00 0.00 C ATOM 0 H LEU B 142 -3.230 12.382 0.953 1.00 0.00 H new ATOM 0 HA LEU B 142 -3.944 14.604 -0.720 1.00 0.00 H new ATOM 0 HB2 LEU B 142 -5.244 12.329 0.713 1.00 0.00 H new ATOM 0 HB3 LEU B 142 -6.256 13.744 0.501 1.00 0.00 H new ATOM 0 HG LEU B 142 -5.917 13.700 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU B 142 -4.864 11.812 -3.079 1.00 0.00 H new ATOM 0 HD12 LEU B 142 -3.697 12.763 -2.130 1.00 0.00 H new ATOM 0 HD13 LEU B 142 -4.260 11.187 -1.526 1.00 0.00 H new ATOM 0 HD21 LEU B 142 -7.111 11.498 -2.355 1.00 0.00 H new ATOM 0 HD22 LEU B 142 -6.639 10.935 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU B 142 -7.760 12.306 -0.909 1.00 0.00 H new ATOM 1386 N GLU B 143 -4.244 15.023 2.556 1.00 0.00 N ATOM 1387 CA GLU B 143 -4.414 16.042 3.609 1.00 0.00 C ATOM 1388 C GLU B 143 -3.211 16.999 3.732 1.00 0.00 C ATOM 1389 O GLU B 143 -3.381 18.179 4.058 1.00 0.00 O ATOM 1390 CB GLU B 143 -4.664 15.350 4.964 1.00 0.00 C ATOM 1391 CG GLU B 143 -6.029 14.640 5.074 1.00 0.00 C ATOM 1392 CD GLU B 143 -7.200 15.573 5.443 1.00 0.00 C ATOM 1393 OE1 GLU B 143 -8.165 15.099 6.094 1.00 0.00 O ATOM 1394 OE2 GLU B 143 -7.194 16.782 5.092 1.00 0.00 O1- ATOM 0 H GLU B 143 -3.992 14.104 2.919 1.00 0.00 H new ATOM 0 HA GLU B 143 -5.272 16.650 3.322 1.00 0.00 H new ATOM 0 HB2 GLU B 143 -3.873 14.620 5.137 1.00 0.00 H new ATOM 0 HB3 GLU B 143 -4.590 16.094 5.757 1.00 0.00 H new ATOM 0 HG2 GLU B 143 -6.251 14.155 4.123 1.00 0.00 H new ATOM 0 HG3 GLU B 143 -5.957 13.852 5.824 1.00 0.00 H new ATOM 1401 N GLN B 144 -1.993 16.508 3.479 1.00 0.00 N ATOM 1402 CA GLN B 144 -0.734 17.267 3.569 1.00 0.00 C ATOM 1403 C GLN B 144 -0.641 18.393 2.514 1.00 0.00 C ATOM 1404 O GLN B 144 -1.054 18.219 1.360 1.00 0.00 O ATOM 1405 CB GLN B 144 0.440 16.271 3.473 1.00 0.00 C ATOM 1406 CG GLN B 144 1.833 16.904 3.630 1.00 0.00 C ATOM 1407 CD GLN B 144 2.936 15.843 3.669 1.00 0.00 C ATOM 1408 OE1 GLN B 144 3.692 15.668 2.726 1.00 0.00 O ATOM 1409 NE2 GLN B 144 3.049 15.081 4.742 1.00 0.00 N ATOM 0 H GLN B 144 -1.848 15.539 3.196 1.00 0.00 H new ATOM 0 HA GLN B 144 -0.694 17.782 4.529 1.00 0.00 H new ATOM 0 HB2 GLN B 144 0.314 15.507 4.240 1.00 0.00 H new ATOM 0 HB3 GLN B 144 0.392 15.765 2.509 1.00 0.00 H new ATOM 0 HG2 GLN B 144 2.017 17.589 2.803 1.00 0.00 H new ATOM 0 HG3 GLN B 144 1.863 17.494 4.546 1.00 0.00 H new ATOM 0 HE21 GLN B 144 2.422 15.220 5.534 1.00 0.00 H new ATOM 0 HE22 GLN B 144 3.763 14.354 4.778 1.00 0.00 H new ATOM 1418 N GLY B 145 -0.071 19.544 2.905 1.00 0.00 N ATOM 1419 CA GLY B 145 0.111 20.733 2.056 1.00 0.00 C ATOM 1420 C GLY B 145 0.872 21.854 2.762 1.00 0.00 C ATOM 1421 O GLY B 145 0.475 22.228 3.890 1.00 0.00 O ATOM 1422 OXT GLY B 145 1.852 22.361 2.179 1.00 0.00 O1- ATOM 0 H GLY B 145 0.287 19.677 3.851 1.00 0.00 H new ATOM 0 HA2 GLY B 145 0.649 20.449 1.151 1.00 0.00 H new ATOM 0 HA3 GLY B 145 -0.865 21.104 1.744 1.00 0.00 H new TER 1426 GLY B 145