USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=28 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: B 104 SER OG : rot -130:sc= 0.649 USER MOD Set 1.2: B 107 LYS NZ :NH3+ -160:sc= 1.78 (180deg=0.769) USER MOD Set 2.1: A 38 LYS NZ :NH3+ -156:sc= 0.963 (180deg=0) USER MOD Set 2.2: A 41 GLN : amide:sc= 1.89 K(o=3.7,f=-1.8) USER MOD Set 2.3: B 140 GLN : amide:sc= 0.884 K(o=3.7,f=-1.8) USER MOD Set 3.1: A 40 GLN : amide:sc= 0.708 K(o=3,f=-2.5) USER MOD Set 3.2: A 44 GLN : amide:sc= 0.961 K(o=3,f=0.74) USER MOD Set 3.3: B 141 GLN : amide:sc= 1.28 K(o=3,f=-2.1) USER MOD Set 4.1: A 23 SER OG : rot 180:sc= 0.626 USER MOD Set 4.2: B 127 LYS NZ :NH3+ 151:sc= 0.566 (180deg=0) USER MOD Set 5.1: A 15 LYS NZ :NH3+ -158:sc= 1.13 (180deg=0) USER MOD Set 5.2: B 139 GLN : amide:sc= 0.693 K(o=1.8,f=-2.2) USER MOD Single : A 1 GLY N :NH3+ -100:sc= 0.059 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -178:sc= 0 (180deg=-0.00428) USER MOD Single : A 6 ASN : amide:sc= -0.0588 K(o=-0.059,f=-1.6) USER MOD Single : A 7 LYS NZ :NH3+ -176:sc= 1.16 (180deg=1.15) 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 USER MOD Single : A 18 TYR OH : rot 15:sc= 0.0541 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc=-0.00255 USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 0.847 (180deg=0.725) USER MOD Single : A 28 ASN : amide:sc= 0.115 K(o=0.12,f=-2.9!) USER MOD Single : A 29 GLN : amide:sc= 0.608 K(o=0.61,f=-4.2!) USER MOD Single : A 31 MET CE :methyl 179:sc= -0.336 (180deg=-0.337) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc=-0.00954 X(o=-0.0095,f=0) USER MOD Single : B 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 106 ASN : amide:sc= 0 X(o=0,f=-0.38) 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+ 176:sc= 1.25 (180deg=1.2) USER MOD Single : B 118 TYR OH : rot 30:sc= 0.439 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 123 SER OG : rot 180:sc= 0 USER MOD Single : B 126 SER OG : rot 180:sc= -0.0119 USER MOD Single : B 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 129 GLN : amide:sc= 0.561 K(o=0.56,f=-4.1!) USER MOD Single : B 131 MET CE :methyl -170:sc= -0.249 (180deg=-0.551) USER MOD Single : B 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 138 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.0651) USER MOD Single : B 144 GLN : amide:sc= 0.888 K(o=0.89,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.431 25.112 -6.098 1.00 0.00 N ATOM 2 CA GLY A 1 -21.149 24.964 -7.382 1.00 0.00 C ATOM 3 C GLY A 1 -22.507 24.292 -7.200 1.00 0.00 C ATOM 4 O GLY A 1 -22.681 23.520 -6.250 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.543 26.085 -5.748 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.824 24.446 -5.402 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.421 24.909 -6.240 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.287 25.945 -7.836 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.543 24.377 -8.071 1.00 0.00 H new ATOM 10 N PRO A 2 -23.483 24.559 -8.088 1.00 0.00 N ATOM 11 CA PRO A 2 -24.832 23.986 -8.027 1.00 0.00 C ATOM 12 C PRO A 2 -24.863 22.483 -8.352 1.00 0.00 C ATOM 13 O PRO A 2 -24.032 21.980 -9.111 1.00 0.00 O ATOM 14 CB PRO A 2 -25.664 24.794 -9.029 1.00 0.00 C ATOM 15 CG PRO A 2 -24.627 25.208 -10.074 1.00 0.00 C ATOM 16 CD PRO A 2 -23.375 25.452 -9.238 1.00 0.00 C ATOM 0 HA PRO A 2 -25.230 24.052 -7.015 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -26.463 24.196 -9.467 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -26.134 25.659 -8.560 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -24.470 24.427 -10.818 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -24.933 26.104 -10.613 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -22.474 25.241 -9.813 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -23.314 26.493 -8.920 1.00 0.00 H new ATOM 24 N GLY A 3 -25.857 21.770 -7.809 1.00 0.00 N ATOM 25 CA GLY A 3 -26.081 20.338 -8.052 1.00 0.00 C ATOM 26 C GLY A 3 -25.000 19.416 -7.470 1.00 0.00 C ATOM 27 O GLY A 3 -24.264 19.798 -6.554 1.00 0.00 O ATOM 0 H GLY A 3 -26.543 22.180 -7.175 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -27.046 20.057 -7.629 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -26.143 20.170 -9.127 1.00 0.00 H new ATOM 31 N SER A 4 -24.925 18.188 -8.002 1.00 0.00 N ATOM 32 CA SER A 4 -23.937 17.120 -7.711 1.00 0.00 C ATOM 33 C SER A 4 -23.871 16.564 -6.274 1.00 0.00 C ATOM 34 O SER A 4 -23.323 15.471 -6.078 1.00 0.00 O ATOM 35 CB SER A 4 -22.532 17.533 -8.195 1.00 0.00 C ATOM 36 OG SER A 4 -22.537 17.869 -9.579 1.00 0.00 O ATOM 0 H SER A 4 -25.602 17.884 -8.702 1.00 0.00 H new ATOM 0 HA SER A 4 -24.325 16.275 -8.280 1.00 0.00 H new ATOM 0 HB2 SER A 4 -22.181 18.385 -7.613 1.00 0.00 H new ATOM 0 HB3 SER A 4 -21.831 16.717 -8.020 1.00 0.00 H new ATOM 0 HG SER A 4 -21.633 18.128 -9.856 1.00 0.00 H new ATOM 42 N MET A 5 -24.426 17.253 -5.271 1.00 0.00 N ATOM 43 CA MET A 5 -24.465 16.793 -3.878 1.00 0.00 C ATOM 44 C MET A 5 -25.325 15.524 -3.711 1.00 0.00 C ATOM 45 O MET A 5 -26.448 15.453 -4.225 1.00 0.00 O ATOM 46 CB MET A 5 -24.942 17.933 -2.954 1.00 0.00 C ATOM 47 CG MET A 5 -26.390 18.386 -3.196 1.00 0.00 C ATOM 48 SD MET A 5 -26.913 19.847 -2.249 1.00 0.00 S ATOM 49 CE MET A 5 -26.957 19.183 -0.564 1.00 0.00 C ATOM 0 H MET A 5 -24.869 18.162 -5.407 1.00 0.00 H new ATOM 0 HA MET A 5 -23.452 16.516 -3.586 1.00 0.00 H new ATOM 0 HB2 MET A 5 -24.845 17.609 -1.918 1.00 0.00 H new ATOM 0 HB3 MET A 5 -24.280 18.789 -3.083 1.00 0.00 H new ATOM 0 HG2 MET A 5 -26.515 18.598 -4.258 1.00 0.00 H new ATOM 0 HG3 MET A 5 -27.058 17.559 -2.955 1.00 0.00 H new ATOM 0 HE1 MET A 5 -27.297 19.958 0.124 1.00 0.00 H new ATOM 0 HE2 MET A 5 -27.643 18.337 -0.524 1.00 0.00 H new ATOM 0 HE3 MET A 5 -25.958 18.855 -0.276 1.00 0.00 H new ATOM 59 N ASN A 6 -24.794 14.525 -2.995 1.00 0.00 N ATOM 60 CA ASN A 6 -25.449 13.234 -2.739 1.00 0.00 C ATOM 61 C ASN A 6 -25.046 12.555 -1.401 1.00 0.00 C ATOM 62 O ASN A 6 -25.386 11.391 -1.169 1.00 0.00 O ATOM 63 CB ASN A 6 -25.234 12.312 -3.958 1.00 0.00 C ATOM 64 CG ASN A 6 -23.784 11.928 -4.230 1.00 0.00 C ATOM 65 OD1 ASN A 6 -22.868 12.148 -3.443 1.00 0.00 O ATOM 66 ND2 ASN A 6 -23.528 11.328 -5.372 1.00 0.00 N ATOM 0 H ASN A 6 -23.871 14.593 -2.565 1.00 0.00 H new ATOM 0 HA ASN A 6 -26.513 13.431 -2.610 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -25.814 11.401 -3.811 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -25.635 12.806 -4.843 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -22.573 11.049 -5.599 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -24.284 11.142 -6.031 1.00 0.00 H new ATOM 73 N LYS A 7 -24.336 13.269 -0.515 1.00 0.00 N ATOM 74 CA LYS A 7 -23.841 12.780 0.790 1.00 0.00 C ATOM 75 C LYS A 7 -23.827 13.927 1.827 1.00 0.00 C ATOM 76 O LYS A 7 -23.429 15.038 1.452 1.00 0.00 O ATOM 77 CB LYS A 7 -22.436 12.169 0.584 1.00 0.00 C ATOM 78 CG LYS A 7 -21.870 11.383 1.781 1.00 0.00 C ATOM 79 CD LYS A 7 -22.621 10.059 2.014 1.00 0.00 C ATOM 80 CE LYS A 7 -22.077 9.301 3.232 1.00 0.00 C ATOM 81 NZ LYS A 7 -20.816 8.575 2.935 1.00 0.00 N1+ ATOM 0 H LYS A 7 -24.079 14.240 -0.690 1.00 0.00 H new ATOM 0 HA LYS A 7 -24.505 12.010 1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -22.471 11.505 -0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -21.742 12.973 0.340 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -20.814 11.175 1.610 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -21.932 11.997 2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -23.682 10.264 2.158 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -22.535 9.431 1.127 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -21.904 10.005 4.046 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -22.828 8.591 3.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -20.527 8.026 3.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -20.967 7.932 2.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -20.070 9.259 2.695 1.00 0.00 H new ATOM 95 N PRO A 8 -24.224 13.709 3.098 1.00 0.00 N ATOM 96 CA PRO A 8 -24.216 14.749 4.133 1.00 0.00 C ATOM 97 C PRO A 8 -22.826 15.365 4.372 1.00 0.00 C ATOM 98 O PRO A 8 -21.812 14.667 4.337 1.00 0.00 O ATOM 99 CB PRO A 8 -24.771 14.090 5.402 1.00 0.00 C ATOM 100 CG PRO A 8 -25.670 12.994 4.844 1.00 0.00 C ATOM 101 CD PRO A 8 -24.897 12.525 3.615 1.00 0.00 C ATOM 0 HA PRO A 8 -24.829 15.593 3.816 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -23.977 13.683 6.027 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -25.328 14.798 6.015 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -25.819 12.187 5.562 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -26.657 13.374 4.582 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -24.178 11.749 3.877 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -25.568 12.099 2.869 1.00 0.00 H new ATOM 109 N THR A 9 -22.796 16.672 4.631 1.00 0.00 N ATOM 110 CA THR A 9 -21.597 17.538 4.749 1.00 0.00 C ATOM 111 C THR A 9 -20.731 17.608 3.478 1.00 0.00 C ATOM 112 O THR A 9 -20.615 18.681 2.879 1.00 0.00 O ATOM 113 CB THR A 9 -20.755 17.215 5.998 1.00 0.00 C ATOM 114 OG1 THR A 9 -21.552 17.337 7.160 1.00 0.00 O ATOM 115 CG2 THR A 9 -19.562 18.159 6.193 1.00 0.00 C ATOM 0 H THR A 9 -23.657 17.199 4.775 1.00 0.00 H new ATOM 0 HA THR A 9 -22.001 18.542 4.876 1.00 0.00 H new ATOM 0 HB THR A 9 -20.385 16.201 5.845 1.00 0.00 H new ATOM 0 HG1 THR A 9 -21.012 17.129 7.951 1.00 0.00 H new ATOM 0 HG21 THR A 9 -19.014 17.873 7.091 1.00 0.00 H new ATOM 0 HG22 THR A 9 -18.901 18.094 5.329 1.00 0.00 H new ATOM 0 HG23 THR A 9 -19.921 19.183 6.298 1.00 0.00 H new ATOM 123 N SER A 10 -20.114 16.496 3.061 1.00 0.00 N ATOM 124 CA SER A 10 -19.254 16.383 1.871 1.00 0.00 C ATOM 125 C SER A 10 -19.080 14.916 1.433 1.00 0.00 C ATOM 126 O SER A 10 -19.128 14.002 2.264 1.00 0.00 O ATOM 127 CB SER A 10 -17.885 17.015 2.146 1.00 0.00 C ATOM 128 OG SER A 10 -17.092 17.045 0.966 1.00 0.00 O ATOM 0 H SER A 10 -20.202 15.612 3.563 1.00 0.00 H new ATOM 0 HA SER A 10 -19.742 16.919 1.057 1.00 0.00 H new ATOM 0 HB2 SER A 10 -18.018 18.028 2.525 1.00 0.00 H new ATOM 0 HB3 SER A 10 -17.368 16.449 2.921 1.00 0.00 H new ATOM 0 HG SER A 10 -16.224 17.454 1.165 1.00 0.00 H new ATOM 134 N SER A 11 -18.863 14.679 0.132 1.00 0.00 N ATOM 135 CA SER A 11 -18.607 13.351 -0.454 1.00 0.00 C ATOM 136 C SER A 11 -17.257 12.762 -0.008 1.00 0.00 C ATOM 137 O SER A 11 -16.250 13.469 0.052 1.00 0.00 O ATOM 138 CB SER A 11 -18.657 13.427 -1.985 1.00 0.00 C ATOM 139 OG SER A 11 -19.887 13.980 -2.423 1.00 0.00 O ATOM 0 H SER A 11 -18.860 15.425 -0.563 1.00 0.00 H new ATOM 0 HA SER A 11 -19.391 12.687 -0.091 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.829 14.035 -2.350 1.00 0.00 H new ATOM 0 HB3 SER A 11 -18.531 12.430 -2.407 1.00 0.00 H new ATOM 0 HG SER A 11 -19.897 14.021 -3.402 1.00 0.00 H new ATOM 145 N ASP A 12 -17.229 11.456 0.280 1.00 0.00 N ATOM 146 CA ASP A 12 -16.088 10.758 0.905 1.00 0.00 C ATOM 147 C ASP A 12 -15.891 9.298 0.423 1.00 0.00 C ATOM 148 O ASP A 12 -15.087 8.554 0.996 1.00 0.00 O ATOM 149 CB ASP A 12 -16.241 10.819 2.438 1.00 0.00 C ATOM 150 CG ASP A 12 -17.489 10.125 3.013 1.00 0.00 C ATOM 151 OD1 ASP A 12 -17.616 10.052 4.258 1.00 0.00 O ATOM 152 OD2 ASP A 12 -18.364 9.644 2.247 1.00 0.00 O1- ATOM 0 H ASP A 12 -18.015 10.836 0.082 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.184 11.279 0.590 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -15.357 10.370 2.891 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -16.258 11.866 2.742 1.00 0.00 H new ATOM 157 N GLY A 13 -16.596 8.878 -0.633 1.00 0.00 N ATOM 158 CA GLY A 13 -16.669 7.482 -1.089 1.00 0.00 C ATOM 159 C GLY A 13 -15.414 6.922 -1.782 1.00 0.00 C ATOM 160 O GLY A 13 -15.364 5.723 -2.071 1.00 0.00 O ATOM 0 H GLY A 13 -17.146 9.514 -1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -16.893 6.853 -0.228 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -17.509 7.391 -1.778 1.00 0.00 H new ATOM 164 N TRP A 14 -14.399 7.757 -2.058 1.00 0.00 N ATOM 165 CA TRP A 14 -13.200 7.376 -2.822 1.00 0.00 C ATOM 166 C TRP A 14 -12.386 6.243 -2.171 1.00 0.00 C ATOM 167 O TRP A 14 -11.766 5.442 -2.876 1.00 0.00 O ATOM 168 CB TRP A 14 -12.322 8.624 -3.051 1.00 0.00 C ATOM 169 CG TRP A 14 -11.510 9.121 -1.882 1.00 0.00 C ATOM 170 CD1 TRP A 14 -11.851 10.134 -1.049 1.00 0.00 C ATOM 171 CD2 TRP A 14 -10.205 8.650 -1.411 1.00 0.00 C ATOM 172 NE1 TRP A 14 -10.855 10.310 -0.103 1.00 0.00 N ATOM 173 CE2 TRP A 14 -9.823 9.419 -0.273 1.00 0.00 C ATOM 174 CE3 TRP A 14 -9.309 7.638 -1.826 1.00 0.00 C ATOM 175 CZ2 TRP A 14 -8.631 9.191 0.425 1.00 0.00 C ATOM 176 CZ3 TRP A 14 -8.112 7.393 -1.126 1.00 0.00 C ATOM 177 CH2 TRP A 14 -7.773 8.169 -0.001 1.00 0.00 C ATOM 0 H TRP A 14 -14.388 8.730 -1.752 1.00 0.00 H new ATOM 0 HA TRP A 14 -13.541 6.977 -3.777 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -11.637 8.409 -3.871 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -12.969 9.436 -3.382 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -12.759 10.715 -1.113 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -10.884 11.017 0.632 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.547 7.043 -2.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -8.376 9.796 1.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.450 6.605 -1.454 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -6.854 7.977 0.532 1.00 0.00 H new ATOM 188 N LYS A 15 -12.414 6.139 -0.835 1.00 0.00 N ATOM 189 CA LYS A 15 -11.618 5.183 -0.042 1.00 0.00 C ATOM 190 C LYS A 15 -12.022 3.726 -0.279 1.00 0.00 C ATOM 191 O LYS A 15 -11.158 2.851 -0.340 1.00 0.00 O ATOM 192 CB LYS A 15 -11.725 5.550 1.447 1.00 0.00 C ATOM 193 CG LYS A 15 -11.236 6.984 1.709 1.00 0.00 C ATOM 194 CD LYS A 15 -11.252 7.354 3.191 1.00 0.00 C ATOM 195 CE LYS A 15 -10.910 8.843 3.332 1.00 0.00 C ATOM 196 NZ LYS A 15 -10.874 9.289 4.751 1.00 0.00 N1+ ATOM 0 H LYS A 15 -13.007 6.734 -0.256 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.581 5.260 -0.370 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.760 5.452 1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.136 4.849 2.039 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.223 7.094 1.323 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.864 7.684 1.158 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.233 7.150 3.621 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.531 6.748 3.739 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.942 9.035 2.870 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.646 9.434 2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.013 10.319 4.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.631 8.815 5.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.953 9.046 5.168 1.00 0.00 H new ATOM 210 N ASP A 16 -13.314 3.465 -0.487 1.00 0.00 N ATOM 211 CA ASP A 16 -13.836 2.127 -0.811 1.00 0.00 C ATOM 212 C ASP A 16 -13.408 1.667 -2.212 1.00 0.00 C ATOM 213 O ASP A 16 -13.035 0.510 -2.402 1.00 0.00 O ATOM 214 CB ASP A 16 -15.375 2.108 -0.693 1.00 0.00 C ATOM 215 CG ASP A 16 -15.927 2.391 0.719 1.00 0.00 C ATOM 216 OD1 ASP A 16 -17.153 2.641 0.833 1.00 0.00 O ATOM 217 OD2 ASP A 16 -15.173 2.340 1.720 1.00 0.00 O1- ATOM 0 H ASP A 16 -14.039 4.181 -0.436 1.00 0.00 H new ATOM 0 HA ASP A 16 -13.410 1.429 -0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -15.786 2.847 -1.381 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.737 1.133 -1.019 1.00 0.00 H new ATOM 222 N ASP A 17 -13.399 2.581 -3.187 1.00 0.00 N ATOM 223 CA ASP A 17 -12.885 2.329 -4.539 1.00 0.00 C ATOM 224 C ASP A 17 -11.362 2.122 -4.546 1.00 0.00 C ATOM 225 O ASP A 17 -10.848 1.303 -5.318 1.00 0.00 O ATOM 226 CB ASP A 17 -13.272 3.477 -5.481 1.00 0.00 C ATOM 227 CG ASP A 17 -14.785 3.670 -5.692 1.00 0.00 C ATOM 228 OD1 ASP A 17 -15.185 4.783 -6.122 1.00 0.00 O ATOM 229 OD2 ASP A 17 -15.580 2.719 -5.495 1.00 0.00 O1- ATOM 0 H ASP A 17 -13.753 3.529 -3.059 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.342 1.406 -4.895 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.855 4.404 -5.088 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.805 3.303 -6.451 1.00 0.00 H new ATOM 234 N TYR A 18 -10.631 2.807 -3.655 1.00 0.00 N ATOM 235 CA TYR A 18 -9.185 2.637 -3.512 1.00 0.00 C ATOM 236 C TYR A 18 -8.843 1.251 -2.933 1.00 0.00 C ATOM 237 O TYR A 18 -8.012 0.548 -3.495 1.00 0.00 O ATOM 238 CB TYR A 18 -8.599 3.781 -2.670 1.00 0.00 C ATOM 239 CG TYR A 18 -7.179 4.150 -3.056 1.00 0.00 C ATOM 240 CD1 TYR A 18 -6.961 4.869 -4.248 1.00 0.00 C ATOM 241 CD2 TYR A 18 -6.086 3.792 -2.243 1.00 0.00 C ATOM 242 CE1 TYR A 18 -5.652 5.198 -4.652 1.00 0.00 C ATOM 243 CE2 TYR A 18 -4.776 4.138 -2.636 1.00 0.00 C ATOM 244 CZ TYR A 18 -4.555 4.823 -3.848 1.00 0.00 C ATOM 245 OH TYR A 18 -3.284 5.105 -4.248 1.00 0.00 O ATOM 0 H TYR A 18 -11.029 3.494 -3.015 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.725 2.684 -4.499 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.235 4.660 -2.773 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -8.619 3.495 -1.618 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.802 5.170 -4.855 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.250 3.254 -1.321 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.489 5.736 -5.574 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.939 3.877 -2.006 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.308 5.764 -4.973 1.00 0.00 H new ATOM 255 N LEU A 19 -9.551 0.782 -1.898 1.00 0.00 N ATOM 256 CA LEU A 19 -9.440 -0.605 -1.419 1.00 0.00 C ATOM 257 C LEU A 19 -9.805 -1.622 -2.517 1.00 0.00 C ATOM 258 O LEU A 19 -9.100 -2.621 -2.679 1.00 0.00 O ATOM 259 CB LEU A 19 -10.331 -0.796 -0.175 1.00 0.00 C ATOM 260 CG LEU A 19 -9.545 -0.761 1.144 1.00 0.00 C ATOM 261 CD1 LEU A 19 -8.773 0.536 1.350 1.00 0.00 C ATOM 262 CD2 LEU A 19 -10.505 -0.946 2.321 1.00 0.00 C ATOM 0 H LEU A 19 -10.215 1.349 -1.370 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.400 -0.790 -1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.092 -0.016 -0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.854 -1.749 -0.254 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.820 -1.573 1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.240 0.495 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.058 0.667 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.468 1.376 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.944 -0.921 3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.243 -0.143 2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.013 -1.906 2.229 1.00 0.00 H new ATOM 274 N SER A 20 -10.857 -1.357 -3.303 1.00 0.00 N ATOM 275 CA SER A 20 -11.290 -2.238 -4.393 1.00 0.00 C ATOM 276 C SER A 20 -10.192 -2.438 -5.453 1.00 0.00 C ATOM 277 O SER A 20 -9.929 -3.579 -5.855 1.00 0.00 O ATOM 278 CB SER A 20 -12.575 -1.695 -5.027 1.00 0.00 C ATOM 279 OG SER A 20 -13.078 -2.577 -6.023 1.00 0.00 O ATOM 0 H SER A 20 -11.433 -0.522 -3.199 1.00 0.00 H new ATOM 0 HA SER A 20 -11.492 -3.220 -3.965 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.330 -1.549 -4.254 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.379 -0.718 -5.470 1.00 0.00 H new ATOM 0 HG SER A 20 -13.898 -2.203 -6.407 1.00 0.00 H new ATOM 285 N ARG A 21 -9.487 -1.366 -5.857 1.00 0.00 N ATOM 286 CA ARG A 21 -8.360 -1.463 -6.809 1.00 0.00 C ATOM 287 C ARG A 21 -7.083 -2.045 -6.185 1.00 0.00 C ATOM 288 O ARG A 21 -6.420 -2.865 -6.820 1.00 0.00 O ATOM 289 CB ARG A 21 -8.131 -0.118 -7.543 1.00 0.00 C ATOM 290 CG ARG A 21 -7.182 0.870 -6.842 1.00 0.00 C ATOM 291 CD ARG A 21 -6.973 2.159 -7.647 1.00 0.00 C ATOM 292 NE ARG A 21 -5.821 2.913 -7.108 1.00 0.00 N ATOM 293 CZ ARG A 21 -4.757 3.338 -7.763 1.00 0.00 C ATOM 294 NH1 ARG A 21 -4.656 3.262 -9.062 1.00 0.00 N1+ ATOM 295 NH2 ARG A 21 -3.746 3.845 -7.117 1.00 0.00 N ATOM 0 H ARG A 21 -9.678 -0.416 -5.538 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.645 -2.193 -7.567 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.736 -0.330 -8.537 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.096 0.369 -7.681 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.584 1.120 -5.860 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.218 0.388 -6.678 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.801 1.918 -8.696 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.872 2.774 -7.604 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.852 3.130 -6.112 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.418 2.862 -9.610 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.816 3.602 -9.529 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.774 3.915 -6.100 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.926 4.172 -7.628 1.00 0.00 H new ATOM 309 N LEU A 22 -6.747 -1.682 -4.941 1.00 0.00 N ATOM 310 CA LEU A 22 -5.522 -2.123 -4.255 1.00 0.00 C ATOM 311 C LEU A 22 -5.480 -3.652 -4.077 1.00 0.00 C ATOM 312 O LEU A 22 -4.421 -4.260 -4.231 1.00 0.00 O ATOM 313 CB LEU A 22 -5.409 -1.418 -2.886 1.00 0.00 C ATOM 314 CG LEU A 22 -4.530 -0.151 -2.824 1.00 0.00 C ATOM 315 CD1 LEU A 22 -4.677 0.839 -3.986 1.00 0.00 C ATOM 316 CD2 LEU A 22 -4.841 0.581 -1.516 1.00 0.00 C ATOM 0 H LEU A 22 -7.326 -1.064 -4.372 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.671 -1.848 -4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.414 -1.150 -2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.019 -2.137 -2.165 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.503 -0.509 -2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.010 1.686 -3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.419 0.343 -4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.707 1.193 -4.035 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.231 1.482 -1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.896 0.855 -1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.618 -0.072 -0.672 1.00 0.00 H new ATOM 328 N SER A 23 -6.633 -4.284 -3.824 1.00 0.00 N ATOM 329 CA SER A 23 -6.782 -5.742 -3.724 1.00 0.00 C ATOM 330 C SER A 23 -6.295 -6.511 -4.970 1.00 0.00 C ATOM 331 O SER A 23 -5.902 -7.677 -4.860 1.00 0.00 O ATOM 332 CB SER A 23 -8.255 -6.063 -3.444 1.00 0.00 C ATOM 333 OG SER A 23 -8.447 -7.448 -3.212 1.00 0.00 O ATOM 0 H SER A 23 -7.510 -3.784 -3.680 1.00 0.00 H new ATOM 0 HA SER A 23 -6.142 -6.077 -2.908 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.594 -5.497 -2.576 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.865 -5.746 -4.290 1.00 0.00 H new ATOM 0 HG SER A 23 -9.395 -7.622 -3.035 1.00 0.00 H new ATOM 339 N ARG A 24 -6.307 -5.882 -6.156 1.00 0.00 N ATOM 340 CA ARG A 24 -6.006 -6.530 -7.444 1.00 0.00 C ATOM 341 C ARG A 24 -4.509 -6.670 -7.760 1.00 0.00 C ATOM 342 O ARG A 24 -4.145 -7.519 -8.575 1.00 0.00 O ATOM 343 CB ARG A 24 -6.715 -5.774 -8.587 1.00 0.00 C ATOM 344 CG ARG A 24 -8.222 -5.502 -8.374 1.00 0.00 C ATOM 345 CD ARG A 24 -9.050 -6.716 -7.931 1.00 0.00 C ATOM 346 NE ARG A 24 -8.999 -7.827 -8.903 1.00 0.00 N ATOM 347 CZ ARG A 24 -9.357 -9.081 -8.685 1.00 0.00 C ATOM 348 NH1 ARG A 24 -9.832 -9.485 -7.537 1.00 0.00 N1+ ATOM 349 NH2 ARG A 24 -9.239 -9.971 -9.629 1.00 0.00 N ATOM 0 H ARG A 24 -6.530 -4.891 -6.249 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.383 -7.549 -7.357 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.209 -4.820 -8.736 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.594 -6.346 -9.507 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.331 -4.716 -7.626 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.640 -5.117 -9.304 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.685 -7.067 -6.966 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.087 -6.411 -7.788 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.653 -7.604 -9.836 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.938 -8.824 -6.768 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.097 -10.462 -7.410 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.869 -9.702 -10.541 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.516 -10.937 -9.456 1.00 0.00 H new ATOM 363 N LEU A 25 -3.639 -5.865 -7.143 1.00 0.00 N ATOM 364 CA LEU A 25 -2.188 -5.885 -7.382 1.00 0.00 C ATOM 365 C LEU A 25 -1.508 -7.134 -6.788 1.00 0.00 C ATOM 366 O LEU A 25 -1.872 -7.613 -5.709 1.00 0.00 O ATOM 367 CB LEU A 25 -1.518 -4.598 -6.847 1.00 0.00 C ATOM 368 CG LEU A 25 -1.740 -3.283 -7.624 1.00 0.00 C ATOM 369 CD1 LEU A 25 -1.572 -3.417 -9.140 1.00 0.00 C ATOM 370 CD2 LEU A 25 -3.098 -2.649 -7.349 1.00 0.00 C ATOM 0 H LEU A 25 -3.924 -5.170 -6.453 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.052 -5.928 -8.463 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.863 -4.443 -5.825 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.444 -4.778 -6.797 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.950 -2.635 -7.245 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.744 -2.450 -9.612 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.561 -3.756 -9.365 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.291 -4.141 -9.523 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.193 -1.728 -7.924 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.888 -3.341 -7.639 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.186 -2.423 -6.286 1.00 0.00 H new ATOM 382 N SER A 26 -0.492 -7.642 -7.491 1.00 0.00 N ATOM 383 CA SER A 26 0.395 -8.720 -7.021 1.00 0.00 C ATOM 384 C SER A 26 1.327 -8.259 -5.885 1.00 0.00 C ATOM 385 O SER A 26 1.487 -7.059 -5.647 1.00 0.00 O ATOM 386 CB SER A 26 1.196 -9.273 -8.203 1.00 0.00 C ATOM 387 OG SER A 26 1.895 -10.452 -7.835 1.00 0.00 O ATOM 0 H SER A 26 -0.254 -7.310 -8.426 1.00 0.00 H new ATOM 0 HA SER A 26 -0.227 -9.512 -6.603 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.524 -9.488 -9.034 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.903 -8.520 -8.552 1.00 0.00 H new ATOM 0 HG SER A 26 2.398 -10.788 -8.606 1.00 0.00 H new ATOM 393 N LYS A 27 1.961 -9.208 -5.182 1.00 0.00 N ATOM 394 CA LYS A 27 2.774 -8.968 -3.968 1.00 0.00 C ATOM 395 C LYS A 27 3.912 -7.959 -4.171 1.00 0.00 C ATOM 396 O LYS A 27 4.187 -7.156 -3.286 1.00 0.00 O ATOM 397 CB LYS A 27 3.303 -10.321 -3.452 1.00 0.00 C ATOM 398 CG LYS A 27 3.909 -10.287 -2.036 1.00 0.00 C ATOM 399 CD LYS A 27 2.916 -9.870 -0.933 1.00 0.00 C ATOM 400 CE LYS A 27 3.556 -10.051 0.452 1.00 0.00 C ATOM 401 NZ LYS A 27 2.606 -9.745 1.552 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.925 -10.193 -5.444 1.00 0.00 H new ATOM 0 HA LYS A 27 2.127 -8.506 -3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.485 -11.042 -3.464 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.060 -10.686 -4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.305 -11.275 -1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.752 -9.596 -2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.622 -8.830 -1.073 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.009 -10.470 -1.004 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.911 -11.076 0.555 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.428 -9.402 0.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.127 -9.664 2.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.120 -8.847 1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.904 -10.509 1.627 1.00 0.00 H new ATOM 415 N ASN A 28 4.547 -7.967 -5.342 1.00 0.00 N ATOM 416 CA ASN A 28 5.598 -7.016 -5.725 1.00 0.00 C ATOM 417 C ASN A 28 5.047 -5.664 -6.230 1.00 0.00 C ATOM 418 O ASN A 28 5.691 -4.625 -6.071 1.00 0.00 O ATOM 419 CB ASN A 28 6.513 -7.706 -6.756 1.00 0.00 C ATOM 420 CG ASN A 28 5.869 -7.939 -8.120 1.00 0.00 C ATOM 421 OD1 ASN A 28 4.726 -8.365 -8.233 1.00 0.00 O ATOM 422 ND2 ASN A 28 6.558 -7.657 -9.204 1.00 0.00 N ATOM 0 H ASN A 28 4.342 -8.650 -6.071 1.00 0.00 H new ATOM 0 HA ASN A 28 6.175 -6.751 -4.839 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.409 -7.100 -6.890 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.835 -8.666 -6.352 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.140 -7.794 -10.124 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.511 -7.302 -9.125 1.00 0.00 H new ATOM 429 N GLN A 29 3.846 -5.655 -6.822 1.00 0.00 N ATOM 430 CA GLN A 29 3.190 -4.453 -7.361 1.00 0.00 C ATOM 431 C GLN A 29 2.604 -3.564 -6.253 1.00 0.00 C ATOM 432 O GLN A 29 2.783 -2.343 -6.286 1.00 0.00 O ATOM 433 CB GLN A 29 2.092 -4.869 -8.348 1.00 0.00 C ATOM 434 CG GLN A 29 2.624 -5.544 -9.623 1.00 0.00 C ATOM 435 CD GLN A 29 1.510 -6.152 -10.482 1.00 0.00 C ATOM 436 OE1 GLN A 29 0.405 -6.441 -10.038 1.00 0.00 O ATOM 437 NE2 GLN A 29 1.766 -6.404 -11.750 1.00 0.00 N ATOM 0 H GLN A 29 3.289 -6.501 -6.943 1.00 0.00 H new ATOM 0 HA GLN A 29 3.947 -3.861 -7.876 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.406 -5.551 -7.847 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.516 -3.987 -8.629 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.174 -4.811 -10.214 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.331 -6.326 -9.347 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.679 -6.172 -12.142 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.051 -6.831 -12.340 1.00 0.00 H new ATOM 446 N LEU A 30 1.958 -4.160 -5.235 1.00 0.00 N ATOM 447 CA LEU A 30 1.454 -3.428 -4.061 1.00 0.00 C ATOM 448 C LEU A 30 2.587 -2.768 -3.251 1.00 0.00 C ATOM 449 O LEU A 30 2.392 -1.686 -2.696 1.00 0.00 O ATOM 450 CB LEU A 30 0.558 -4.350 -3.205 1.00 0.00 C ATOM 451 CG LEU A 30 1.248 -5.547 -2.517 1.00 0.00 C ATOM 452 CD1 LEU A 30 1.806 -5.224 -1.121 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.250 -6.698 -2.363 1.00 0.00 C ATOM 0 H LEU A 30 1.771 -5.162 -5.204 1.00 0.00 H new ATOM 0 HA LEU A 30 0.836 -2.601 -4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.083 -3.743 -2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.238 -4.737 -3.841 1.00 0.00 H new ATOM 0 HG LEU A 30 2.088 -5.814 -3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.275 -6.114 -0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.545 -4.427 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.993 -4.902 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.740 -7.542 -1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.594 -6.369 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.108 -7.003 -3.346 1.00 0.00 H new ATOM 465 N MET A 31 3.785 -3.368 -3.243 1.00 0.00 N ATOM 466 CA MET A 31 4.975 -2.754 -2.640 1.00 0.00 C ATOM 467 C MET A 31 5.418 -1.498 -3.398 1.00 0.00 C ATOM 468 O MET A 31 5.632 -0.456 -2.784 1.00 0.00 O ATOM 469 CB MET A 31 6.150 -3.734 -2.603 1.00 0.00 C ATOM 470 CG MET A 31 5.962 -4.895 -1.632 1.00 0.00 C ATOM 471 SD MET A 31 7.258 -6.144 -1.812 1.00 0.00 S ATOM 472 CE MET A 31 6.546 -7.423 -0.751 1.00 0.00 C ATOM 0 H MET A 31 3.956 -4.287 -3.652 1.00 0.00 H new ATOM 0 HA MET A 31 4.691 -2.479 -1.624 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.307 -4.134 -3.605 1.00 0.00 H new ATOM 0 HB3 MET A 31 7.055 -3.190 -2.331 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.962 -4.517 -0.610 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.989 -5.355 -1.801 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.199 -8.296 -0.745 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.445 -7.039 0.264 1.00 0.00 H new ATOM 0 HE3 MET A 31 5.565 -7.706 -1.131 1.00 0.00 H new ATOM 482 N ALA A 32 5.520 -1.574 -4.728 1.00 0.00 N ATOM 483 CA ALA A 32 5.911 -0.439 -5.564 1.00 0.00 C ATOM 484 C ALA A 32 4.914 0.732 -5.440 1.00 0.00 C ATOM 485 O ALA A 32 5.322 1.894 -5.360 1.00 0.00 O ATOM 486 CB ALA A 32 6.040 -0.933 -7.009 1.00 0.00 C ATOM 0 H ALA A 32 5.333 -2.427 -5.255 1.00 0.00 H new ATOM 0 HA ALA A 32 6.870 -0.046 -5.227 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.331 -0.103 -7.653 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.798 -1.715 -7.060 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.083 -1.333 -7.344 1.00 0.00 H new ATOM 492 N LEU A 33 3.610 0.427 -5.351 1.00 0.00 N ATOM 493 CA LEU A 33 2.542 1.400 -5.090 1.00 0.00 C ATOM 494 C LEU A 33 2.731 2.080 -3.724 1.00 0.00 C ATOM 495 O LEU A 33 2.806 3.307 -3.653 1.00 0.00 O ATOM 496 CB LEU A 33 1.186 0.678 -5.258 1.00 0.00 C ATOM 497 CG LEU A 33 -0.116 1.498 -5.113 1.00 0.00 C ATOM 498 CD1 LEU A 33 -0.462 1.876 -3.671 1.00 0.00 C ATOM 499 CD2 LEU A 33 -0.110 2.761 -5.973 1.00 0.00 C ATOM 0 H LEU A 33 3.263 -0.526 -5.461 1.00 0.00 H new ATOM 0 HA LEU A 33 2.574 2.220 -5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.178 0.217 -6.246 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.150 -0.131 -4.528 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.891 0.820 -5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.389 2.450 -3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.587 0.970 -3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.343 2.478 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.047 3.300 -5.834 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.723 3.399 -5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.002 2.486 -7.022 1.00 0.00 H new ATOM 511 N ALA A 34 2.847 1.308 -2.641 1.00 0.00 N ATOM 512 CA ALA A 34 2.995 1.852 -1.287 1.00 0.00 C ATOM 513 C ALA A 34 4.317 2.629 -1.097 1.00 0.00 C ATOM 514 O ALA A 34 4.324 3.661 -0.431 1.00 0.00 O ATOM 515 CB ALA A 34 2.842 0.694 -0.295 1.00 0.00 C ATOM 0 H ALA A 34 2.841 0.289 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 34 2.217 2.593 -1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.948 1.070 0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.858 0.241 -0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.611 -0.054 -0.487 1.00 0.00 H new ATOM 521 N LEU A 35 5.418 2.198 -1.728 1.00 0.00 N ATOM 522 CA LEU A 35 6.712 2.899 -1.728 1.00 0.00 C ATOM 523 C LEU A 35 6.601 4.262 -2.439 1.00 0.00 C ATOM 524 O LEU A 35 7.046 5.279 -1.897 1.00 0.00 O ATOM 525 CB LEU A 35 7.768 1.962 -2.367 1.00 0.00 C ATOM 526 CG LEU A 35 9.261 2.348 -2.268 1.00 0.00 C ATOM 527 CD1 LEU A 35 9.660 3.585 -3.073 1.00 0.00 C ATOM 528 CD2 LEU A 35 9.700 2.535 -0.820 1.00 0.00 C ATOM 0 H LEU A 35 5.435 1.332 -2.266 1.00 0.00 H new ATOM 0 HA LEU A 35 7.026 3.128 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.651 0.977 -1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.523 1.860 -3.424 1.00 0.00 H new ATOM 0 HG LEU A 35 9.780 1.500 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.725 3.777 -2.941 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.450 3.415 -4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.090 4.446 -2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.755 2.806 -0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.110 3.328 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.549 1.605 -0.271 1.00 0.00 H new ATOM 540 N LYS A 36 5.949 4.311 -3.611 1.00 0.00 N ATOM 541 CA LYS A 36 5.672 5.547 -4.357 1.00 0.00 C ATOM 542 C LYS A 36 4.841 6.534 -3.526 1.00 0.00 C ATOM 543 O LYS A 36 5.211 7.705 -3.418 1.00 0.00 O ATOM 544 CB LYS A 36 4.993 5.196 -5.695 1.00 0.00 C ATOM 545 CG LYS A 36 4.767 6.437 -6.565 1.00 0.00 C ATOM 546 CD LYS A 36 4.279 6.091 -7.983 1.00 0.00 C ATOM 547 CE LYS A 36 2.915 5.384 -7.979 1.00 0.00 C ATOM 548 NZ LYS A 36 2.440 5.121 -9.364 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.593 3.476 -4.075 1.00 0.00 H new ATOM 0 HA LYS A 36 6.614 6.052 -4.571 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.610 4.480 -6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.037 4.710 -5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.036 7.085 -6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.697 7.001 -6.633 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.209 7.005 -8.573 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.015 5.452 -8.471 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.992 4.443 -7.434 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.185 5.999 -7.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.517 4.643 -9.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.345 6.022 -9.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.126 4.514 -9.857 1.00 0.00 H new ATOM 562 N LEU A 37 3.785 6.057 -2.866 1.00 0.00 N ATOM 563 CA LEU A 37 2.992 6.860 -1.924 1.00 0.00 C ATOM 564 C LEU A 37 3.828 7.341 -0.722 1.00 0.00 C ATOM 565 O LEU A 37 3.637 8.476 -0.278 1.00 0.00 O ATOM 566 CB LEU A 37 1.783 6.036 -1.441 1.00 0.00 C ATOM 567 CG LEU A 37 0.481 6.278 -2.220 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.597 6.014 -3.721 1.00 0.00 C ATOM 569 CD2 LEU A 37 -0.598 5.360 -1.643 1.00 0.00 C ATOM 0 H LEU A 37 3.451 5.099 -2.968 1.00 0.00 H new ATOM 0 HA LEU A 37 2.648 7.751 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.035 4.977 -1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.607 6.260 -0.389 1.00 0.00 H new ATOM 0 HG LEU A 37 0.234 7.334 -2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.363 6.207 -4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.354 6.671 -4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.882 4.975 -3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.533 5.514 -2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.286 4.321 -1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.745 5.590 -0.588 1.00 0.00 H new ATOM 581 N LYS A 38 4.765 6.529 -0.205 1.00 0.00 N ATOM 582 CA LYS A 38 5.611 6.911 0.937 1.00 0.00 C ATOM 583 C LYS A 38 6.574 8.041 0.584 1.00 0.00 C ATOM 584 O LYS A 38 6.595 9.047 1.291 1.00 0.00 O ATOM 585 CB LYS A 38 6.354 5.699 1.527 1.00 0.00 C ATOM 586 CG LYS A 38 7.033 6.008 2.876 1.00 0.00 C ATOM 587 CD LYS A 38 6.039 6.467 3.952 1.00 0.00 C ATOM 588 CE LYS A 38 6.669 6.559 5.342 1.00 0.00 C ATOM 589 NZ LYS A 38 5.664 6.979 6.351 1.00 0.00 N1+ ATOM 0 H LYS A 38 4.956 5.594 -0.565 1.00 0.00 H new ATOM 0 HA LYS A 38 4.943 7.291 1.710 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.650 4.878 1.660 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.108 5.360 0.816 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.555 5.118 3.227 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.786 6.783 2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.636 7.441 3.676 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.199 5.773 3.984 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.088 5.592 5.621 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.494 7.271 5.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.147 7.421 7.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.008 7.664 5.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.132 6.147 6.678 1.00 0.00 H new ATOM 603 N GLN A 39 7.320 7.926 -0.517 1.00 0.00 N ATOM 604 CA GLN A 39 8.267 8.973 -0.926 1.00 0.00 C ATOM 605 C GLN A 39 7.564 10.297 -1.293 1.00 0.00 C ATOM 606 O GLN A 39 8.135 11.365 -1.082 1.00 0.00 O ATOM 607 CB GLN A 39 9.211 8.459 -2.027 1.00 0.00 C ATOM 608 CG GLN A 39 8.542 8.171 -3.378 1.00 0.00 C ATOM 609 CD GLN A 39 9.570 7.850 -4.458 1.00 0.00 C ATOM 610 OE1 GLN A 39 10.241 8.725 -5.002 1.00 0.00 O ATOM 611 NE2 GLN A 39 9.736 6.598 -4.833 1.00 0.00 N ATOM 0 H GLN A 39 7.289 7.121 -1.142 1.00 0.00 H new ATOM 0 HA GLN A 39 8.888 9.214 -0.063 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.000 9.195 -2.180 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.691 7.546 -1.675 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.852 7.334 -3.272 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.951 9.034 -3.683 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.189 5.857 -4.394 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.411 6.369 -5.562 1.00 0.00 H new ATOM 620 N GLN A 40 6.314 10.245 -1.767 1.00 0.00 N ATOM 621 CA GLN A 40 5.490 11.440 -1.989 1.00 0.00 C ATOM 622 C GLN A 40 5.217 12.199 -0.680 1.00 0.00 C ATOM 623 O GLN A 40 5.482 13.403 -0.613 1.00 0.00 O ATOM 624 CB GLN A 40 4.165 11.063 -2.673 1.00 0.00 C ATOM 625 CG GLN A 40 4.317 10.752 -4.174 1.00 0.00 C ATOM 626 CD GLN A 40 3.066 10.107 -4.777 1.00 0.00 C ATOM 627 OE1 GLN A 40 2.069 9.824 -4.116 1.00 0.00 O ATOM 628 NE2 GLN A 40 3.060 9.853 -6.067 1.00 0.00 N ATOM 0 H GLN A 40 5.844 9.372 -2.008 1.00 0.00 H new ATOM 0 HA GLN A 40 6.052 12.105 -2.645 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.740 10.194 -2.171 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.455 11.881 -2.549 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.539 11.674 -4.711 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.168 10.087 -4.318 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.876 10.079 -6.635 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.239 9.430 -6.500 1.00 0.00 H new ATOM 637 N GLN A 41 4.709 11.529 0.362 1.00 0.00 N ATOM 638 CA GLN A 41 4.411 12.185 1.650 1.00 0.00 C ATOM 639 C GLN A 41 5.683 12.606 2.419 1.00 0.00 C ATOM 640 O GLN A 41 5.656 13.600 3.149 1.00 0.00 O ATOM 641 CB GLN A 41 3.464 11.320 2.503 1.00 0.00 C ATOM 642 CG GLN A 41 4.048 9.980 2.987 1.00 0.00 C ATOM 643 CD GLN A 41 3.291 9.387 4.175 1.00 0.00 C ATOM 644 OE1 GLN A 41 3.877 8.911 5.140 1.00 0.00 O ATOM 645 NE2 GLN A 41 1.976 9.407 4.172 1.00 0.00 N ATOM 0 H GLN A 41 4.494 10.532 0.342 1.00 0.00 H new ATOM 0 HA GLN A 41 3.890 13.115 1.423 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.157 11.899 3.374 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.564 11.116 1.923 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.034 9.266 2.163 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.092 10.125 3.266 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.474 9.800 3.376 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.458 9.030 4.966 1.00 0.00 H new ATOM 654 N LEU A 42 6.796 11.889 2.238 1.00 0.00 N ATOM 655 CA LEU A 42 8.078 12.160 2.884 1.00 0.00 C ATOM 656 C LEU A 42 8.761 13.453 2.397 1.00 0.00 C ATOM 657 O LEU A 42 9.413 14.138 3.187 1.00 0.00 O ATOM 658 CB LEU A 42 8.976 10.931 2.633 1.00 0.00 C ATOM 659 CG LEU A 42 10.191 10.819 3.566 1.00 0.00 C ATOM 660 CD1 LEU A 42 9.732 10.558 5.004 1.00 0.00 C ATOM 661 CD2 LEU A 42 11.063 9.641 3.125 1.00 0.00 C ATOM 0 H LEU A 42 6.828 11.080 1.618 1.00 0.00 H new ATOM 0 HA LEU A 42 7.907 12.325 3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.372 10.030 2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.329 10.961 1.602 1.00 0.00 H new ATOM 0 HG LEU A 42 10.752 11.753 3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.603 10.481 5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.100 11.380 5.339 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.166 9.627 5.042 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.926 9.560 3.786 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.482 8.720 3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.403 9.803 2.102 1.00 0.00 H new ATOM 673 N GLU A 43 8.622 13.794 1.109 1.00 0.00 N ATOM 674 CA GLU A 43 9.342 14.910 0.470 1.00 0.00 C ATOM 675 C GLU A 43 8.493 16.164 0.197 1.00 0.00 C ATOM 676 O GLU A 43 9.066 17.246 0.005 1.00 0.00 O ATOM 677 CB GLU A 43 10.011 14.422 -0.827 1.00 0.00 C ATOM 678 CG GLU A 43 11.044 13.295 -0.623 1.00 0.00 C ATOM 679 CD GLU A 43 12.183 13.668 0.350 1.00 0.00 C ATOM 680 OE1 GLU A 43 12.592 12.810 1.170 1.00 0.00 O ATOM 681 OE2 GLU A 43 12.709 14.807 0.279 1.00 0.00 O1- ATOM 0 H GLU A 43 7.999 13.298 0.471 1.00 0.00 H new ATOM 0 HA GLU A 43 10.090 15.231 1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.238 14.071 -1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.503 15.267 -1.309 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.533 12.409 -0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.475 13.029 -1.588 1.00 0.00 H new ATOM 688 N GLN A 44 7.159 16.076 0.176 1.00 0.00 N ATOM 689 CA GLN A 44 6.280 17.233 -0.071 1.00 0.00 C ATOM 690 C GLN A 44 6.231 18.233 1.107 1.00 0.00 C ATOM 691 O GLN A 44 6.498 17.880 2.263 1.00 0.00 O ATOM 692 CB GLN A 44 4.873 16.763 -0.491 1.00 0.00 C ATOM 693 CG GLN A 44 4.027 16.177 0.653 1.00 0.00 C ATOM 694 CD GLN A 44 2.731 15.533 0.163 1.00 0.00 C ATOM 695 OE1 GLN A 44 1.628 15.931 0.520 1.00 0.00 O ATOM 696 NE2 GLN A 44 2.820 14.524 -0.682 1.00 0.00 N ATOM 0 H GLN A 44 6.654 15.203 0.329 1.00 0.00 H new ATOM 0 HA GLN A 44 6.718 17.791 -0.899 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.337 17.606 -0.927 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.974 16.011 -1.273 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.616 15.434 1.190 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.788 16.968 1.364 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.736 14.189 -0.982 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.973 14.079 -1.035 1.00 0.00 H new ATOM 705 N GLY A 45 5.862 19.490 0.818 1.00 0.00 N ATOM 706 CA GLY A 45 5.755 20.594 1.786 1.00 0.00 C ATOM 707 C GLY A 45 5.103 21.845 1.189 1.00 0.00 C ATOM 708 O GLY A 45 4.100 22.317 1.763 1.00 0.00 O ATOM 709 OXT GLY A 45 5.601 22.349 0.153 1.00 0.00 O1- ATOM 0 H GLY A 45 5.621 19.777 -0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.174 20.262 2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.750 20.848 2.152 1.00 0.00 H new TER 713 GLY A 45 ATOM 714 N GLY B 101 27.561 7.393 24.580 1.00 0.00 N ATOM 715 CA GLY B 101 27.643 6.779 23.234 1.00 0.00 C ATOM 716 C GLY B 101 29.037 6.927 22.629 1.00 0.00 C ATOM 717 O GLY B 101 29.817 7.779 23.075 1.00 0.00 O ATOM 0 HA2 GLY B 101 27.385 5.722 23.300 1.00 0.00 H new ATOM 0 HA3 GLY B 101 26.910 7.245 22.576 1.00 0.00 H new ATOM 723 N PRO B 102 29.382 6.097 21.625 1.00 0.00 N ATOM 724 CA PRO B 102 30.691 6.118 20.966 1.00 0.00 C ATOM 725 C PRO B 102 30.923 7.399 20.150 1.00 0.00 C ATOM 726 O PRO B 102 29.991 7.955 19.560 1.00 0.00 O ATOM 727 CB PRO B 102 30.711 4.868 20.077 1.00 0.00 C ATOM 728 CG PRO B 102 29.238 4.657 19.733 1.00 0.00 C ATOM 729 CD PRO B 102 28.526 5.085 21.018 1.00 0.00 C ATOM 0 HA PRO B 102 31.499 6.113 21.698 1.00 0.00 H new ATOM 0 HB2 PRO B 102 31.315 5.020 19.183 1.00 0.00 H new ATOM 0 HB3 PRO B 102 31.129 4.008 20.601 1.00 0.00 H new ATOM 0 HG2 PRO B 102 28.931 5.262 18.880 1.00 0.00 H new ATOM 0 HG3 PRO B 102 29.026 3.618 19.480 1.00 0.00 H new ATOM 0 HD2 PRO B 102 27.536 5.488 20.802 1.00 0.00 H new ATOM 0 HD3 PRO B 102 28.386 4.237 21.689 1.00 0.00 H new ATOM 737 N GLY B 103 32.185 7.832 20.047 1.00 0.00 N ATOM 738 CA GLY B 103 32.583 9.048 19.317 1.00 0.00 C ATOM 739 C GLY B 103 32.412 8.980 17.794 1.00 0.00 C ATOM 740 O GLY B 103 32.353 10.020 17.137 1.00 0.00 O ATOM 0 H GLY B 103 32.972 7.343 20.473 1.00 0.00 H new ATOM 0 HA2 GLY B 103 31.999 9.887 19.695 1.00 0.00 H new ATOM 0 HA3 GLY B 103 33.628 9.261 19.540 1.00 0.00 H new ATOM 744 N SER B 104 32.284 7.771 17.230 1.00 0.00 N ATOM 745 CA SER B 104 31.950 7.549 15.814 1.00 0.00 C ATOM 746 C SER B 104 30.499 7.946 15.472 1.00 0.00 C ATOM 747 O SER B 104 30.241 8.444 14.372 1.00 0.00 O ATOM 748 CB SER B 104 32.210 6.074 15.482 1.00 0.00 C ATOM 749 OG SER B 104 31.995 5.795 14.105 1.00 0.00 O ATOM 0 H SER B 104 32.412 6.904 17.753 1.00 0.00 H new ATOM 0 HA SER B 104 32.583 8.193 15.204 1.00 0.00 H new ATOM 0 HB2 SER B 104 33.235 5.817 15.749 1.00 0.00 H new ATOM 0 HB3 SER B 104 31.556 5.445 16.086 1.00 0.00 H new ATOM 0 HG SER B 104 31.413 5.011 14.017 1.00 0.00 H new ATOM 755 N MET B 105 29.579 7.788 16.435 1.00 0.00 N ATOM 756 CA MET B 105 28.136 8.106 16.370 1.00 0.00 C ATOM 757 C MET B 105 27.338 7.373 15.267 1.00 0.00 C ATOM 758 O MET B 105 27.892 6.797 14.327 1.00 0.00 O ATOM 759 CB MET B 105 27.919 9.633 16.333 1.00 0.00 C ATOM 760 CG MET B 105 28.540 10.349 17.540 1.00 0.00 C ATOM 761 SD MET B 105 28.224 12.133 17.592 1.00 0.00 S ATOM 762 CE MET B 105 29.175 12.558 19.080 1.00 0.00 C ATOM 0 H MET B 105 29.837 7.408 17.346 1.00 0.00 H new ATOM 0 HA MET B 105 27.712 7.706 17.291 1.00 0.00 H new ATOM 0 HB2 MET B 105 28.350 10.035 15.416 1.00 0.00 H new ATOM 0 HB3 MET B 105 26.850 9.843 16.302 1.00 0.00 H new ATOM 0 HG2 MET B 105 28.155 9.897 18.454 1.00 0.00 H new ATOM 0 HG3 MET B 105 29.617 10.183 17.532 1.00 0.00 H new ATOM 0 HE1 MET B 105 29.095 13.628 19.269 1.00 0.00 H new ATOM 0 HE2 MET B 105 28.780 12.008 19.934 1.00 0.00 H new ATOM 0 HE3 MET B 105 30.222 12.293 18.931 1.00 0.00 H new ATOM 772 N ASN B 106 26.002 7.383 15.382 1.00 0.00 N ATOM 773 CA ASN B 106 25.085 6.809 14.387 1.00 0.00 C ATOM 774 C ASN B 106 25.104 7.619 13.071 1.00 0.00 C ATOM 775 O ASN B 106 25.005 8.851 13.091 1.00 0.00 O ATOM 776 CB ASN B 106 23.675 6.740 15.000 1.00 0.00 C ATOM 777 CG ASN B 106 22.676 6.026 14.093 1.00 0.00 C ATOM 778 OD1 ASN B 106 22.998 5.065 13.407 1.00 0.00 O ATOM 779 ND2 ASN B 106 21.441 6.480 14.047 1.00 0.00 N ATOM 0 H ASN B 106 25.521 7.796 16.181 1.00 0.00 H new ATOM 0 HA ASN B 106 25.409 5.801 14.128 1.00 0.00 H new ATOM 0 HB2 ASN B 106 23.724 6.223 15.958 1.00 0.00 H new ATOM 0 HB3 ASN B 106 23.320 7.751 15.201 1.00 0.00 H new ATOM 0 HD21 ASN B 106 20.755 6.031 13.441 1.00 0.00 H new ATOM 0 HD22 ASN B 106 21.170 7.281 14.618 1.00 0.00 H new ATOM 786 N LYS B 107 25.227 6.935 11.928 1.00 0.00 N ATOM 787 CA LYS B 107 25.327 7.548 10.588 1.00 0.00 C ATOM 788 C LYS B 107 23.942 7.831 9.975 1.00 0.00 C ATOM 789 O LYS B 107 22.998 7.082 10.247 1.00 0.00 O ATOM 790 CB LYS B 107 26.172 6.655 9.653 1.00 0.00 C ATOM 791 CG LYS B 107 27.570 6.299 10.194 1.00 0.00 C ATOM 792 CD LYS B 107 28.425 7.521 10.588 1.00 0.00 C ATOM 793 CE LYS B 107 29.838 7.140 11.059 1.00 0.00 C ATOM 794 NZ LYS B 107 29.801 6.309 12.291 1.00 0.00 N1+ ATOM 0 H LYS B 107 25.261 5.916 11.903 1.00 0.00 H new ATOM 0 HA LYS B 107 25.826 8.510 10.702 1.00 0.00 H new ATOM 0 HB2 LYS B 107 25.625 5.732 9.462 1.00 0.00 H new ATOM 0 HB3 LYS B 107 26.286 7.161 8.695 1.00 0.00 H new ATOM 0 HG2 LYS B 107 27.457 5.653 11.065 1.00 0.00 H new ATOM 0 HG3 LYS B 107 28.105 5.724 9.438 1.00 0.00 H new ATOM 0 HD2 LYS B 107 28.502 8.194 9.734 1.00 0.00 H new ATOM 0 HD3 LYS B 107 27.919 8.070 11.382 1.00 0.00 H new ATOM 0 HE2 LYS B 107 30.351 6.594 10.267 1.00 0.00 H new ATOM 0 HE3 LYS B 107 30.415 8.045 11.248 1.00 0.00 H new ATOM 0 HZ1 LYS B 107 30.725 6.352 12.766 1.00 0.00 H new ATOM 0 HZ2 LYS B 107 29.065 6.670 12.931 1.00 0.00 H new ATOM 0 HZ3 LYS B 107 29.587 5.323 12.038 1.00 0.00 H new ATOM 808 N PRO B 108 23.785 8.870 9.127 1.00 0.00 N ATOM 809 CA PRO B 108 22.541 9.126 8.405 1.00 0.00 C ATOM 810 C PRO B 108 22.228 8.015 7.380 1.00 0.00 C ATOM 811 O PRO B 108 23.133 7.432 6.777 1.00 0.00 O ATOM 812 CB PRO B 108 22.728 10.487 7.731 1.00 0.00 C ATOM 813 CG PRO B 108 24.241 10.574 7.523 1.00 0.00 C ATOM 814 CD PRO B 108 24.797 9.846 8.745 1.00 0.00 C ATOM 0 HA PRO B 108 21.686 9.132 9.082 1.00 0.00 H new ATOM 0 HB2 PRO B 108 22.188 10.545 6.786 1.00 0.00 H new ATOM 0 HB3 PRO B 108 22.361 11.300 8.358 1.00 0.00 H new ATOM 0 HG2 PRO B 108 24.549 10.096 6.593 1.00 0.00 H new ATOM 0 HG3 PRO B 108 24.584 11.608 7.478 1.00 0.00 H new ATOM 0 HD2 PRO B 108 25.742 9.356 8.511 1.00 0.00 H new ATOM 0 HD3 PRO B 108 24.993 10.544 9.559 1.00 0.00 H new ATOM 822 N THR B 109 20.941 7.717 7.178 1.00 0.00 N ATOM 823 CA THR B 109 20.480 6.680 6.231 1.00 0.00 C ATOM 824 C THR B 109 20.555 7.187 4.785 1.00 0.00 C ATOM 825 O THR B 109 20.153 8.320 4.493 1.00 0.00 O ATOM 826 CB THR B 109 19.056 6.211 6.572 1.00 0.00 C ATOM 827 OG1 THR B 109 19.025 5.672 7.877 1.00 0.00 O ATOM 828 CG2 THR B 109 18.526 5.111 5.647 1.00 0.00 C ATOM 0 H THR B 109 20.180 8.188 7.667 1.00 0.00 H new ATOM 0 HA THR B 109 21.147 5.823 6.325 1.00 0.00 H new ATOM 0 HB THR B 109 18.433 7.098 6.462 1.00 0.00 H new ATOM 0 HG1 THR B 109 18.114 5.377 8.088 1.00 0.00 H new ATOM 0 HG21 THR B 109 17.517 4.834 5.952 1.00 0.00 H new ATOM 0 HG22 THR B 109 18.507 5.477 4.620 1.00 0.00 H new ATOM 0 HG23 THR B 109 19.176 4.238 5.710 1.00 0.00 H new ATOM 836 N SER B 110 21.058 6.357 3.866 1.00 0.00 N ATOM 837 CA SER B 110 21.181 6.674 2.434 1.00 0.00 C ATOM 838 C SER B 110 19.824 6.910 1.749 1.00 0.00 C ATOM 839 O SER B 110 18.816 6.294 2.114 1.00 0.00 O ATOM 840 CB SER B 110 21.933 5.551 1.705 1.00 0.00 C ATOM 841 OG SER B 110 23.182 5.275 2.323 1.00 0.00 O ATOM 0 H SER B 110 21.399 5.425 4.099 1.00 0.00 H new ATOM 0 HA SER B 110 21.741 7.607 2.372 1.00 0.00 H new ATOM 0 HB2 SER B 110 21.322 4.648 1.697 1.00 0.00 H new ATOM 0 HB3 SER B 110 22.095 5.835 0.665 1.00 0.00 H new ATOM 0 HG SER B 110 23.635 4.555 1.837 1.00 0.00 H new ATOM 847 N SER B 111 19.799 7.766 0.723 1.00 0.00 N ATOM 848 CA SER B 111 18.578 8.220 0.029 1.00 0.00 C ATOM 849 C SER B 111 17.791 7.112 -0.702 1.00 0.00 C ATOM 850 O SER B 111 16.592 7.278 -0.940 1.00 0.00 O ATOM 851 CB SER B 111 18.940 9.334 -0.957 1.00 0.00 C ATOM 852 OG SER B 111 19.888 8.887 -1.916 1.00 0.00 O ATOM 0 H SER B 111 20.649 8.177 0.337 1.00 0.00 H new ATOM 0 HA SER B 111 17.909 8.580 0.811 1.00 0.00 H new ATOM 0 HB2 SER B 111 18.040 9.679 -1.466 1.00 0.00 H new ATOM 0 HB3 SER B 111 19.345 10.187 -0.413 1.00 0.00 H new ATOM 0 HG SER B 111 20.099 9.619 -2.533 1.00 0.00 H new ATOM 858 N ASP B 112 18.433 5.984 -1.010 1.00 0.00 N ATOM 859 CA ASP B 112 17.801 4.756 -1.524 1.00 0.00 C ATOM 860 C ASP B 112 17.841 3.571 -0.540 1.00 0.00 C ATOM 861 O ASP B 112 17.068 2.627 -0.690 1.00 0.00 O ATOM 862 CB ASP B 112 18.484 4.343 -2.837 1.00 0.00 C ATOM 863 CG ASP B 112 18.304 5.336 -3.996 1.00 0.00 C ATOM 864 OD1 ASP B 112 17.184 5.880 -4.175 1.00 0.00 O ATOM 865 OD2 ASP B 112 19.264 5.531 -4.777 1.00 0.00 O1- ATOM 0 H ASP B 112 19.444 5.892 -0.907 1.00 0.00 H new ATOM 0 HA ASP B 112 16.749 4.995 -1.679 1.00 0.00 H new ATOM 0 HB2 ASP B 112 19.550 4.213 -2.651 1.00 0.00 H new ATOM 0 HB3 ASP B 112 18.093 3.373 -3.144 1.00 0.00 H new ATOM 870 N GLY B 113 18.717 3.588 0.471 1.00 0.00 N ATOM 871 CA GLY B 113 18.956 2.439 1.366 1.00 0.00 C ATOM 872 C GLY B 113 17.740 2.058 2.222 1.00 0.00 C ATOM 873 O GLY B 113 17.524 0.880 2.511 1.00 0.00 O ATOM 0 H GLY B 113 19.287 4.403 0.697 1.00 0.00 H new ATOM 0 HA2 GLY B 113 19.251 1.578 0.766 1.00 0.00 H new ATOM 0 HA3 GLY B 113 19.794 2.671 2.024 1.00 0.00 H new ATOM 877 N TRP B 114 16.901 3.042 2.564 1.00 0.00 N ATOM 878 CA TRP B 114 15.635 2.850 3.278 1.00 0.00 C ATOM 879 C TRP B 114 14.574 2.091 2.456 1.00 0.00 C ATOM 880 O TRP B 114 13.700 1.452 3.041 1.00 0.00 O ATOM 881 CB TRP B 114 15.096 4.227 3.685 1.00 0.00 C ATOM 882 CG TRP B 114 14.546 5.079 2.576 1.00 0.00 C ATOM 883 CD1 TRP B 114 15.280 5.860 1.752 1.00 0.00 C ATOM 884 CD2 TRP B 114 13.160 5.203 2.121 1.00 0.00 C ATOM 885 NE1 TRP B 114 14.439 6.498 0.861 1.00 0.00 N ATOM 886 CE2 TRP B 114 13.124 6.137 1.039 1.00 0.00 C ATOM 887 CE3 TRP B 114 11.929 4.626 2.509 1.00 0.00 C ATOM 888 CZ2 TRP B 114 11.935 6.479 0.378 1.00 0.00 C ATOM 889 CZ3 TRP B 114 10.726 4.959 1.851 1.00 0.00 C ATOM 890 CH2 TRP B 114 10.727 5.888 0.791 1.00 0.00 C ATOM 0 H TRP B 114 17.090 4.020 2.346 1.00 0.00 H new ATOM 0 HA TRP B 114 15.839 2.230 4.151 1.00 0.00 H new ATOM 0 HB2 TRP B 114 14.311 4.082 4.427 1.00 0.00 H new ATOM 0 HB3 TRP B 114 15.899 4.778 4.174 1.00 0.00 H new ATOM 0 HD1 TRP B 114 16.354 5.968 1.785 1.00 0.00 H new ATOM 0 HE1 TRP B 114 14.757 7.160 0.153 1.00 0.00 H new ATOM 0 HE3 TRP B 114 11.909 3.917 3.324 1.00 0.00 H new ATOM 0 HZ2 TRP B 114 11.947 7.187 -0.438 1.00 0.00 H new ATOM 0 HZ3 TRP B 114 9.799 4.499 2.161 1.00 0.00 H new ATOM 0 HH2 TRP B 114 9.802 6.146 0.297 1.00 0.00 H new ATOM 901 N LYS B 115 14.632 2.145 1.115 1.00 0.00 N ATOM 902 CA LYS B 115 13.592 1.594 0.223 1.00 0.00 C ATOM 903 C LYS B 115 13.556 0.069 0.268 1.00 0.00 C ATOM 904 O LYS B 115 12.476 -0.516 0.300 1.00 0.00 O ATOM 905 CB LYS B 115 13.788 2.088 -1.221 1.00 0.00 C ATOM 906 CG LYS B 115 13.716 3.619 -1.330 1.00 0.00 C ATOM 907 CD LYS B 115 14.000 4.103 -2.753 1.00 0.00 C ATOM 908 CE LYS B 115 13.917 5.636 -2.777 1.00 0.00 C ATOM 909 NZ LYS B 115 14.414 6.196 -4.059 1.00 0.00 N1+ ATOM 0 H LYS B 115 15.408 2.576 0.613 1.00 0.00 H new ATOM 0 HA LYS B 115 12.630 1.957 0.586 1.00 0.00 H new ATOM 0 HB2 LYS B 115 14.754 1.745 -1.592 1.00 0.00 H new ATOM 0 HB3 LYS B 115 13.025 1.644 -1.861 1.00 0.00 H new ATOM 0 HG2 LYS B 115 12.727 3.959 -1.021 1.00 0.00 H new ATOM 0 HG3 LYS B 115 14.435 4.066 -0.644 1.00 0.00 H new ATOM 0 HD2 LYS B 115 14.988 3.773 -3.074 1.00 0.00 H new ATOM 0 HD3 LYS B 115 13.279 3.675 -3.449 1.00 0.00 H new ATOM 0 HE2 LYS B 115 12.884 5.946 -2.621 1.00 0.00 H new ATOM 0 HE3 LYS B 115 14.500 6.044 -1.952 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 14.279 7.227 -4.063 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 15.426 5.979 -4.164 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 13.886 5.775 -4.850 1.00 0.00 H new ATOM 923 N ASP B 116 14.721 -0.578 0.336 1.00 0.00 N ATOM 924 CA ASP B 116 14.842 -2.037 0.487 1.00 0.00 C ATOM 925 C ASP B 116 14.277 -2.531 1.832 1.00 0.00 C ATOM 926 O ASP B 116 13.577 -3.546 1.877 1.00 0.00 O ATOM 927 CB ASP B 116 16.311 -2.470 0.330 1.00 0.00 C ATOM 928 CG ASP B 116 16.931 -2.191 -1.053 1.00 0.00 C ATOM 929 OD1 ASP B 116 16.198 -1.997 -2.054 1.00 0.00 O ATOM 930 OD2 ASP B 116 18.180 -2.211 -1.156 1.00 0.00 O1- ATOM 0 H ASP B 116 15.621 -0.101 0.288 1.00 0.00 H new ATOM 0 HA ASP B 116 14.246 -2.496 -0.302 1.00 0.00 H new ATOM 0 HB2 ASP B 116 16.907 -1.960 1.087 1.00 0.00 H new ATOM 0 HB3 ASP B 116 16.382 -3.538 0.534 1.00 0.00 H new ATOM 935 N ASP B 117 14.505 -1.782 2.917 1.00 0.00 N ATOM 936 CA ASP B 117 13.907 -2.049 4.233 1.00 0.00 C ATOM 937 C ASP B 117 12.388 -1.803 4.239 1.00 0.00 C ATOM 938 O ASP B 117 11.644 -2.547 4.881 1.00 0.00 O ATOM 939 CB ASP B 117 14.588 -1.208 5.323 1.00 0.00 C ATOM 940 CG ASP B 117 16.080 -1.528 5.551 1.00 0.00 C ATOM 941 OD1 ASP B 117 16.763 -0.709 6.212 1.00 0.00 O ATOM 942 OD2 ASP B 117 16.575 -2.607 5.140 1.00 0.00 O1- ATOM 0 H ASP B 117 15.116 -0.965 2.907 1.00 0.00 H new ATOM 0 HA ASP B 117 14.070 -3.105 4.449 1.00 0.00 H new ATOM 0 HB2 ASP B 117 14.493 -0.154 5.061 1.00 0.00 H new ATOM 0 HB3 ASP B 117 14.053 -1.353 6.261 1.00 0.00 H new ATOM 947 N TYR B 118 11.903 -0.801 3.494 1.00 0.00 N ATOM 948 CA TYR B 118 10.477 -0.497 3.383 1.00 0.00 C ATOM 949 C TYR B 118 9.731 -1.589 2.595 1.00 0.00 C ATOM 950 O TYR B 118 8.705 -2.087 3.055 1.00 0.00 O ATOM 951 CB TYR B 118 10.279 0.904 2.783 1.00 0.00 C ATOM 952 CG TYR B 118 8.988 1.561 3.235 1.00 0.00 C ATOM 953 CD1 TYR B 118 7.834 1.556 2.426 1.00 0.00 C ATOM 954 CD2 TYR B 118 8.946 2.163 4.507 1.00 0.00 C ATOM 955 CE1 TYR B 118 6.627 2.112 2.907 1.00 0.00 C ATOM 956 CE2 TYR B 118 7.752 2.725 4.987 1.00 0.00 C ATOM 957 CZ TYR B 118 6.583 2.677 4.198 1.00 0.00 C ATOM 958 OH TYR B 118 5.415 3.133 4.720 1.00 0.00 O ATOM 0 H TYR B 118 12.497 -0.176 2.949 1.00 0.00 H new ATOM 0 HA TYR B 118 10.040 -0.490 4.381 1.00 0.00 H new ATOM 0 HB2 TYR B 118 11.121 1.537 3.064 1.00 0.00 H new ATOM 0 HB3 TYR B 118 10.283 0.832 1.695 1.00 0.00 H new ATOM 0 HD1 TYR B 118 7.872 1.126 1.436 1.00 0.00 H new ATOM 0 HD2 TYR B 118 9.837 2.193 5.117 1.00 0.00 H new ATOM 0 HE1 TYR B 118 5.742 2.104 2.288 1.00 0.00 H new ATOM 0 HE2 TYR B 118 7.728 3.194 5.960 1.00 0.00 H new ATOM 0 HH TYR B 118 4.669 2.613 4.355 1.00 0.00 H new ATOM 968 N LEU B 119 10.285 -2.050 1.470 1.00 0.00 N ATOM 969 CA LEU B 119 9.787 -3.229 0.741 1.00 0.00 C ATOM 970 C LEU B 119 9.786 -4.496 1.619 1.00 0.00 C ATOM 971 O LEU B 119 8.821 -5.263 1.594 1.00 0.00 O ATOM 972 CB LEU B 119 10.645 -3.437 -0.526 1.00 0.00 C ATOM 973 CG LEU B 119 10.041 -2.839 -1.806 1.00 0.00 C ATOM 974 CD1 LEU B 119 9.711 -1.347 -1.723 1.00 0.00 C ATOM 975 CD2 LEU B 119 10.976 -3.054 -2.999 1.00 0.00 C ATOM 0 H LEU B 119 11.098 -1.615 1.033 1.00 0.00 H new ATOM 0 HA LEU B 119 8.750 -3.048 0.458 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.628 -2.995 -0.361 1.00 0.00 H new ATOM 0 HB3 LEU B 119 10.797 -4.506 -0.676 1.00 0.00 H new ATOM 0 HG LEU B 119 9.099 -3.371 -1.935 1.00 0.00 H new ATOM 0 HD11 LEU B 119 9.290 -1.014 -2.672 1.00 0.00 H new ATOM 0 HD12 LEU B 119 8.987 -1.178 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.621 -0.784 -1.512 1.00 0.00 H new ATOM 0 HD21 LEU B 119 10.528 -2.623 -3.894 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.933 -2.571 -2.803 1.00 0.00 H new ATOM 0 HD23 LEU B 119 11.133 -4.122 -3.150 1.00 0.00 H new ATOM 987 N SER B 120 10.828 -4.685 2.440 1.00 0.00 N ATOM 988 CA SER B 120 10.931 -5.807 3.386 1.00 0.00 C ATOM 989 C SER B 120 9.826 -5.782 4.449 1.00 0.00 C ATOM 990 O SER B 120 9.160 -6.798 4.659 1.00 0.00 O ATOM 991 CB SER B 120 12.328 -5.828 4.025 1.00 0.00 C ATOM 992 OG SER B 120 12.474 -6.931 4.903 1.00 0.00 O ATOM 0 H SER B 120 11.632 -4.058 2.467 1.00 0.00 H new ATOM 0 HA SER B 120 10.788 -6.730 2.824 1.00 0.00 H new ATOM 0 HB2 SER B 120 13.087 -5.878 3.244 1.00 0.00 H new ATOM 0 HB3 SER B 120 12.494 -4.900 4.572 1.00 0.00 H new ATOM 0 HG SER B 120 13.372 -6.921 5.294 1.00 0.00 H new ATOM 998 N ARG B 121 9.553 -4.622 5.073 1.00 0.00 N ATOM 999 CA ARG B 121 8.478 -4.494 6.081 1.00 0.00 C ATOM 1000 C ARG B 121 7.071 -4.636 5.475 1.00 0.00 C ATOM 1001 O ARG B 121 6.223 -5.291 6.075 1.00 0.00 O ATOM 1002 CB ARG B 121 8.659 -3.220 6.942 1.00 0.00 C ATOM 1003 CG ARG B 121 7.893 -1.972 6.456 1.00 0.00 C ATOM 1004 CD ARG B 121 8.156 -0.737 7.327 1.00 0.00 C ATOM 1005 NE ARG B 121 7.180 0.327 7.010 1.00 0.00 N ATOM 1006 CZ ARG B 121 6.080 0.623 7.682 1.00 0.00 C ATOM 1007 NH1 ARG B 121 5.714 -0.018 8.757 1.00 0.00 N1+ ATOM 1008 NH2 ARG B 121 5.300 1.586 7.277 1.00 0.00 N ATOM 0 H ARG B 121 10.062 -3.756 4.898 1.00 0.00 H new ATOM 0 HA ARG B 121 8.571 -5.339 6.763 1.00 0.00 H new ATOM 0 HB2 ARG B 121 8.343 -3.444 7.961 1.00 0.00 H new ATOM 0 HB3 ARG B 121 9.721 -2.979 6.983 1.00 0.00 H new ATOM 0 HG2 ARG B 121 8.179 -1.753 5.427 1.00 0.00 H new ATOM 0 HG3 ARG B 121 6.824 -2.186 6.451 1.00 0.00 H new ATOM 0 HD2 ARG B 121 8.084 -1.004 8.381 1.00 0.00 H new ATOM 0 HD3 ARG B 121 9.170 -0.373 7.159 1.00 0.00 H new ATOM 0 HE ARG B 121 7.376 0.894 6.185 1.00 0.00 H new ATOM 0 HH11 ARG B 121 6.285 -0.784 9.113 1.00 0.00 H new ATOM 0 HH12 ARG B 121 4.856 0.247 9.242 1.00 0.00 H new ATOM 0 HH21 ARG B 121 5.537 2.115 6.438 1.00 0.00 H new ATOM 0 HH22 ARG B 121 4.453 1.810 7.799 1.00 0.00 H new ATOM 1022 N LEU B 122 6.843 -4.095 4.272 1.00 0.00 N ATOM 1023 CA LEU B 122 5.561 -4.181 3.543 1.00 0.00 C ATOM 1024 C LEU B 122 5.163 -5.632 3.212 1.00 0.00 C ATOM 1025 O LEU B 122 3.977 -5.973 3.232 1.00 0.00 O ATOM 1026 CB LEU B 122 5.633 -3.324 2.265 1.00 0.00 C ATOM 1027 CG LEU B 122 5.112 -1.874 2.390 1.00 0.00 C ATOM 1028 CD1 LEU B 122 5.479 -1.124 3.677 1.00 0.00 C ATOM 1029 CD2 LEU B 122 5.658 -1.070 1.208 1.00 0.00 C ATOM 0 H LEU B 122 7.556 -3.573 3.763 1.00 0.00 H new ATOM 0 HA LEU B 122 4.781 -3.792 4.198 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.671 -3.289 1.933 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.065 -3.827 1.482 1.00 0.00 H new ATOM 0 HG LEU B 122 4.026 -1.963 2.407 1.00 0.00 H new ATOM 0 HD11 LEU B 122 5.057 -0.120 3.646 1.00 0.00 H new ATOM 0 HD12 LEU B 122 5.078 -1.660 4.537 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.564 -1.059 3.764 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.304 -0.041 1.273 1.00 0.00 H new ATOM 0 HD22 LEU B 122 6.748 -1.081 1.233 1.00 0.00 H new ATOM 0 HD23 LEU B 122 5.312 -1.514 0.275 1.00 0.00 H new ATOM 1041 N SER B 123 6.142 -6.512 2.984 1.00 0.00 N ATOM 1042 CA SER B 123 5.934 -7.952 2.777 1.00 0.00 C ATOM 1043 C SER B 123 5.247 -8.657 3.962 1.00 0.00 C ATOM 1044 O SER B 123 4.482 -9.610 3.763 1.00 0.00 O ATOM 1045 CB SER B 123 7.285 -8.622 2.490 1.00 0.00 C ATOM 1046 OG SER B 123 7.085 -9.929 1.982 1.00 0.00 O ATOM 0 H SER B 123 7.124 -6.239 2.937 1.00 0.00 H new ATOM 0 HA SER B 123 5.258 -8.053 1.928 1.00 0.00 H new ATOM 0 HB2 SER B 123 7.849 -8.027 1.771 1.00 0.00 H new ATOM 0 HB3 SER B 123 7.879 -8.666 3.403 1.00 0.00 H new ATOM 0 HG SER B 123 7.953 -10.346 1.801 1.00 0.00 H new ATOM 1052 N ARG B 124 5.472 -8.179 5.197 1.00 0.00 N ATOM 1053 CA ARG B 124 5.011 -8.831 6.439 1.00 0.00 C ATOM 1054 C ARG B 124 3.504 -8.673 6.703 1.00 0.00 C ATOM 1055 O ARG B 124 2.944 -9.463 7.466 1.00 0.00 O ATOM 1056 CB ARG B 124 5.816 -8.297 7.642 1.00 0.00 C ATOM 1057 CG ARG B 124 7.351 -8.349 7.500 1.00 0.00 C ATOM 1058 CD ARG B 124 7.924 -9.726 7.125 1.00 0.00 C ATOM 1059 NE ARG B 124 7.658 -10.748 8.156 1.00 0.00 N ATOM 1060 CZ ARG B 124 8.041 -12.011 8.122 1.00 0.00 C ATOM 1061 NH1 ARG B 124 8.707 -12.517 7.121 1.00 0.00 N1+ ATOM 1062 NH2 ARG B 124 7.754 -12.806 9.113 1.00 0.00 N ATOM 0 H ARG B 124 5.987 -7.315 5.366 1.00 0.00 H new ATOM 0 HA ARG B 124 5.186 -9.899 6.307 1.00 0.00 H new ATOM 0 HB2 ARG B 124 5.522 -7.263 7.822 1.00 0.00 H new ATOM 0 HB3 ARG B 124 5.532 -8.867 8.527 1.00 0.00 H new ATOM 0 HG2 ARG B 124 7.655 -7.627 6.742 1.00 0.00 H new ATOM 0 HG3 ARG B 124 7.799 -8.030 8.441 1.00 0.00 H new ATOM 0 HD2 ARG B 124 7.493 -10.050 6.177 1.00 0.00 H new ATOM 0 HD3 ARG B 124 9.000 -9.639 6.973 1.00 0.00 H new ATOM 0 HE ARG B 124 7.127 -10.450 8.974 1.00 0.00 H new ATOM 0 HH11 ARG B 124 8.952 -11.931 6.323 1.00 0.00 H new ATOM 0 HH12 ARG B 124 8.983 -13.499 7.136 1.00 0.00 H new ATOM 0 HH21 ARG B 124 7.233 -12.453 9.916 1.00 0.00 H new ATOM 0 HH22 ARG B 124 8.050 -13.782 9.086 1.00 0.00 H new ATOM 1076 N LEU B 125 2.854 -7.671 6.103 1.00 0.00 N ATOM 1077 CA LEU B 125 1.421 -7.408 6.284 1.00 0.00 C ATOM 1078 C LEU B 125 0.532 -8.457 5.590 1.00 0.00 C ATOM 1079 O LEU B 125 0.821 -8.920 4.482 1.00 0.00 O ATOM 1080 CB LEU B 125 1.046 -5.997 5.787 1.00 0.00 C ATOM 1081 CG LEU B 125 1.514 -4.775 6.610 1.00 0.00 C ATOM 1082 CD1 LEU B 125 1.559 -5.005 8.123 1.00 0.00 C ATOM 1083 CD2 LEU B 125 2.869 -4.254 6.147 1.00 0.00 C ATOM 0 H LEU B 125 3.311 -7.013 5.472 1.00 0.00 H new ATOM 0 HA LEU B 125 1.235 -7.473 7.356 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.440 -5.886 4.777 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -0.040 -5.950 5.713 1.00 0.00 H new ATOM 0 HG LEU B 125 0.744 -4.027 6.420 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.898 -4.096 8.619 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.563 -5.264 8.481 1.00 0.00 H new ATOM 0 HD13 LEU B 125 2.248 -5.819 8.347 1.00 0.00 H new ATOM 0 HD21 LEU B 125 3.156 -3.396 6.755 1.00 0.00 H new ATOM 0 HD22 LEU B 125 3.617 -5.040 6.253 1.00 0.00 H new ATOM 0 HD23 LEU B 125 2.805 -3.953 5.101 1.00 0.00 H new ATOM 1095 N SER B 126 -0.595 -8.772 6.232 1.00 0.00 N ATOM 1096 CA SER B 126 -1.726 -9.520 5.654 1.00 0.00 C ATOM 1097 C SER B 126 -2.481 -8.699 4.591 1.00 0.00 C ATOM 1098 O SER B 126 -2.302 -7.485 4.481 1.00 0.00 O ATOM 1099 CB SER B 126 -2.658 -9.965 6.790 1.00 0.00 C ATOM 1100 OG SER B 126 -3.702 -10.797 6.305 1.00 0.00 O ATOM 0 H SER B 126 -0.756 -8.506 7.203 1.00 0.00 H new ATOM 0 HA SER B 126 -1.340 -10.398 5.137 1.00 0.00 H new ATOM 0 HB2 SER B 126 -2.084 -10.501 7.545 1.00 0.00 H new ATOM 0 HB3 SER B 126 -3.085 -9.089 7.277 1.00 0.00 H new ATOM 0 HG SER B 126 -4.279 -11.066 7.050 1.00 0.00 H new ATOM 1106 N LYS B 127 -3.354 -9.339 3.806 1.00 0.00 N ATOM 1107 CA LYS B 127 -4.088 -8.734 2.673 1.00 0.00 C ATOM 1108 C LYS B 127 -4.925 -7.505 3.063 1.00 0.00 C ATOM 1109 O LYS B 127 -4.932 -6.512 2.339 1.00 0.00 O ATOM 1110 CB LYS B 127 -4.950 -9.829 2.012 1.00 0.00 C ATOM 1111 CG LYS B 127 -5.701 -9.380 0.746 1.00 0.00 C ATOM 1112 CD LYS B 127 -4.768 -9.007 -0.421 1.00 0.00 C ATOM 1113 CE LYS B 127 -5.544 -8.412 -1.609 1.00 0.00 C ATOM 1114 NZ LYS B 127 -6.441 -9.388 -2.276 1.00 0.00 N1+ ATOM 0 H LYS B 127 -3.581 -10.324 3.940 1.00 0.00 H new ATOM 0 HA LYS B 127 -3.357 -8.350 1.962 1.00 0.00 H new ATOM 0 HB2 LYS B 127 -4.309 -10.673 1.757 1.00 0.00 H new ATOM 0 HB3 LYS B 127 -5.677 -10.189 2.740 1.00 0.00 H new ATOM 0 HG2 LYS B 127 -6.368 -10.180 0.426 1.00 0.00 H new ATOM 0 HG3 LYS B 127 -6.327 -8.521 0.989 1.00 0.00 H new ATOM 0 HD2 LYS B 127 -4.025 -8.288 -0.076 1.00 0.00 H new ATOM 0 HD3 LYS B 127 -4.225 -9.893 -0.749 1.00 0.00 H new ATOM 0 HE2 LYS B 127 -6.136 -7.566 -1.260 1.00 0.00 H new ATOM 0 HE3 LYS B 127 -4.834 -8.024 -2.340 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 -7.251 -8.886 -2.694 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 -5.918 -9.885 -3.025 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 -6.784 -10.078 -1.577 1.00 0.00 H new ATOM 1128 N ASN B 128 -5.599 -7.545 4.215 1.00 0.00 N ATOM 1129 CA ASN B 128 -6.351 -6.398 4.744 1.00 0.00 C ATOM 1130 C ASN B 128 -5.415 -5.290 5.280 1.00 0.00 C ATOM 1131 O ASN B 128 -5.655 -4.100 5.075 1.00 0.00 O ATOM 1132 CB ASN B 128 -7.309 -6.917 5.831 1.00 0.00 C ATOM 1133 CG ASN B 128 -8.199 -5.815 6.378 1.00 0.00 C ATOM 1134 OD1 ASN B 128 -8.906 -5.133 5.652 1.00 0.00 O ATOM 1135 ND2 ASN B 128 -8.193 -5.598 7.673 1.00 0.00 N ATOM 0 H ASN B 128 -5.640 -8.373 4.810 1.00 0.00 H new ATOM 0 HA ASN B 128 -6.924 -5.934 3.941 1.00 0.00 H new ATOM 0 HB2 ASN B 128 -7.929 -7.712 5.418 1.00 0.00 H new ATOM 0 HB3 ASN B 128 -6.731 -7.354 6.645 1.00 0.00 H new ATOM 0 HD21 ASN B 128 -8.777 -4.862 8.069 1.00 0.00 H new ATOM 0 HD22 ASN B 128 -7.604 -6.165 8.282 1.00 0.00 H new ATOM 1142 N GLN B 129 -4.323 -5.680 5.944 1.00 0.00 N ATOM 1143 CA GLN B 129 -3.359 -4.766 6.572 1.00 0.00 C ATOM 1144 C GLN B 129 -2.556 -3.953 5.543 1.00 0.00 C ATOM 1145 O GLN B 129 -2.365 -2.754 5.740 1.00 0.00 O ATOM 1146 CB GLN B 129 -2.408 -5.566 7.468 1.00 0.00 C ATOM 1147 CG GLN B 129 -3.088 -6.220 8.679 1.00 0.00 C ATOM 1148 CD GLN B 129 -2.149 -7.153 9.450 1.00 0.00 C ATOM 1149 OE1 GLN B 129 -1.164 -7.674 8.936 1.00 0.00 O ATOM 1150 NE2 GLN B 129 -2.422 -7.425 10.708 1.00 0.00 N ATOM 0 H GLN B 129 -4.077 -6.663 6.064 1.00 0.00 H new ATOM 0 HA GLN B 129 -3.925 -4.050 7.167 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -1.930 -6.342 6.870 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -1.617 -4.904 7.822 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -3.453 -5.442 9.350 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -3.958 -6.784 8.342 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -3.236 -7.003 11.156 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -1.820 -8.057 11.235 1.00 0.00 H new ATOM 1159 N LEU B 130 -2.126 -4.554 4.425 1.00 0.00 N ATOM 1160 CA LEU B 130 -1.422 -3.835 3.352 1.00 0.00 C ATOM 1161 C LEU B 130 -2.322 -2.808 2.650 1.00 0.00 C ATOM 1162 O LEU B 130 -1.845 -1.744 2.248 1.00 0.00 O ATOM 1163 CB LEU B 130 -0.746 -4.827 2.382 1.00 0.00 C ATOM 1164 CG LEU B 130 -1.664 -5.771 1.573 1.00 0.00 C ATOM 1165 CD1 LEU B 130 -2.206 -5.175 0.267 1.00 0.00 C ATOM 1166 CD2 LEU B 130 -0.882 -7.038 1.215 1.00 0.00 C ATOM 0 H LEU B 130 -2.255 -5.548 4.238 1.00 0.00 H new ATOM 0 HA LEU B 130 -0.625 -3.246 3.805 1.00 0.00 H new ATOM 0 HB2 LEU B 130 -0.148 -4.252 1.675 1.00 0.00 H new ATOM 0 HB3 LEU B 130 -0.054 -5.442 2.958 1.00 0.00 H new ATOM 0 HG LEU B 130 -2.523 -5.967 2.215 1.00 0.00 H new ATOM 0 HD11 LEU B 130 -2.839 -5.908 -0.232 1.00 0.00 H new ATOM 0 HD12 LEU B 130 -2.790 -4.282 0.489 1.00 0.00 H new ATOM 0 HD13 LEU B 130 -1.374 -4.911 -0.385 1.00 0.00 H new ATOM 0 HD21 LEU B 130 -1.521 -7.711 0.644 1.00 0.00 H new ATOM 0 HD22 LEU B 130 -0.010 -6.771 0.617 1.00 0.00 H new ATOM 0 HD23 LEU B 130 -0.557 -7.535 2.129 1.00 0.00 H new ATOM 1178 N MET B 131 -3.630 -3.076 2.558 1.00 0.00 N ATOM 1179 CA MET B 131 -4.596 -2.108 2.020 1.00 0.00 C ATOM 1180 C MET B 131 -4.848 -0.959 2.991 1.00 0.00 C ATOM 1181 O MET B 131 -4.871 0.196 2.569 1.00 0.00 O ATOM 1182 CB MET B 131 -5.908 -2.807 1.661 1.00 0.00 C ATOM 1183 CG MET B 131 -5.731 -3.671 0.411 1.00 0.00 C ATOM 1184 SD MET B 131 -7.279 -4.225 -0.345 1.00 0.00 S ATOM 1185 CE MET B 131 -7.554 -5.748 0.587 1.00 0.00 C ATOM 0 H MET B 131 -4.046 -3.960 2.851 1.00 0.00 H new ATOM 0 HA MET B 131 -4.165 -1.681 1.115 1.00 0.00 H new ATOM 0 HB2 MET B 131 -6.236 -3.427 2.495 1.00 0.00 H new ATOM 0 HB3 MET B 131 -6.687 -2.064 1.490 1.00 0.00 H new ATOM 0 HG2 MET B 131 -5.162 -3.106 -0.328 1.00 0.00 H new ATOM 0 HG3 MET B 131 -5.135 -4.546 0.671 1.00 0.00 H new ATOM 0 HE1 MET B 131 -8.369 -6.311 0.132 1.00 0.00 H new ATOM 0 HE2 MET B 131 -6.646 -6.351 0.576 1.00 0.00 H new ATOM 0 HE3 MET B 131 -7.814 -5.503 1.617 1.00 0.00 H new ATOM 1195 N ALA B 132 -4.973 -1.244 4.294 1.00 0.00 N ATOM 1196 CA ALA B 132 -5.075 -0.218 5.331 1.00 0.00 C ATOM 1197 C ALA B 132 -3.828 0.687 5.380 1.00 0.00 C ATOM 1198 O ALA B 132 -3.960 1.908 5.471 1.00 0.00 O ATOM 1199 CB ALA B 132 -5.329 -0.911 6.674 1.00 0.00 C ATOM 0 H ALA B 132 -5.006 -2.197 4.656 1.00 0.00 H new ATOM 0 HA ALA B 132 -5.909 0.445 5.098 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -5.408 -0.161 7.461 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -6.257 -1.480 6.620 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -4.503 -1.586 6.897 1.00 0.00 H new ATOM 1205 N LEU B 133 -2.626 0.116 5.242 1.00 0.00 N ATOM 1206 CA LEU B 133 -1.352 0.846 5.164 1.00 0.00 C ATOM 1207 C LEU B 133 -1.306 1.794 3.957 1.00 0.00 C ATOM 1208 O LEU B 133 -1.051 2.989 4.118 1.00 0.00 O ATOM 1209 CB LEU B 133 -0.211 -0.197 5.168 1.00 0.00 C ATOM 1210 CG LEU B 133 1.251 0.298 5.153 1.00 0.00 C ATOM 1211 CD1 LEU B 133 1.721 0.842 3.804 1.00 0.00 C ATOM 1212 CD2 LEU B 133 1.523 1.333 6.246 1.00 0.00 C ATOM 0 H LEU B 133 -2.508 -0.895 5.180 1.00 0.00 H new ATOM 0 HA LEU B 133 -1.236 1.501 6.028 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.339 -0.822 6.052 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -0.350 -0.841 4.300 1.00 0.00 H new ATOM 0 HG LEU B 133 1.834 -0.601 5.353 1.00 0.00 H new ATOM 0 HD11 LEU B 133 2.758 1.167 3.884 1.00 0.00 H new ATOM 0 HD12 LEU B 133 1.643 0.060 3.049 1.00 0.00 H new ATOM 0 HD13 LEU B 133 1.097 1.688 3.515 1.00 0.00 H new ATOM 0 HD21 LEU B 133 2.564 1.651 6.195 1.00 0.00 H new ATOM 0 HD22 LEU B 133 0.873 2.196 6.100 1.00 0.00 H new ATOM 0 HD23 LEU B 133 1.326 0.891 7.223 1.00 0.00 H new ATOM 1224 N ALA B 134 -1.593 1.293 2.748 1.00 0.00 N ATOM 1225 CA ALA B 134 -1.593 2.110 1.530 1.00 0.00 C ATOM 1226 C ALA B 134 -2.680 3.209 1.548 1.00 0.00 C ATOM 1227 O ALA B 134 -2.406 4.354 1.188 1.00 0.00 O ATOM 1228 CB ALA B 134 -1.749 1.172 0.328 1.00 0.00 C ATOM 0 H ALA B 134 -1.831 0.314 2.588 1.00 0.00 H new ATOM 0 HA ALA B 134 -0.648 2.648 1.462 1.00 0.00 H new ATOM 0 HB1 ALA B 134 -1.752 1.757 -0.592 1.00 0.00 H new ATOM 0 HB2 ALA B 134 -0.918 0.466 0.307 1.00 0.00 H new ATOM 0 HB3 ALA B 134 -2.688 0.625 0.413 1.00 0.00 H new ATOM 1234 N LEU B 135 -3.884 2.899 2.034 1.00 0.00 N ATOM 1235 CA LEU B 135 -4.973 3.867 2.185 1.00 0.00 C ATOM 1236 C LEU B 135 -4.646 4.957 3.224 1.00 0.00 C ATOM 1237 O LEU B 135 -4.884 6.139 2.971 1.00 0.00 O ATOM 1238 CB LEU B 135 -6.269 3.082 2.488 1.00 0.00 C ATOM 1239 CG LEU B 135 -7.607 3.848 2.492 1.00 0.00 C ATOM 1240 CD1 LEU B 135 -7.819 4.728 3.723 1.00 0.00 C ATOM 1241 CD2 LEU B 135 -7.800 4.690 1.234 1.00 0.00 C ATOM 0 H LEU B 135 -4.133 1.958 2.337 1.00 0.00 H new ATOM 0 HA LEU B 135 -5.114 4.424 1.259 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -6.349 2.278 1.756 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -6.152 2.613 3.465 1.00 0.00 H new ATOM 0 HG LEU B 135 -8.360 3.060 2.519 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -8.783 5.232 3.648 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -7.802 4.109 4.620 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -7.024 5.472 3.780 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -8.757 5.209 1.287 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -6.995 5.421 1.158 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -7.786 4.043 0.357 1.00 0.00 H new ATOM 1253 N LYS B 136 -4.016 4.589 4.351 1.00 0.00 N ATOM 1254 CA LYS B 136 -3.495 5.525 5.360 1.00 0.00 C ATOM 1255 C LYS B 136 -2.478 6.494 4.748 1.00 0.00 C ATOM 1256 O LYS B 136 -2.645 7.703 4.874 1.00 0.00 O ATOM 1257 CB LYS B 136 -2.930 4.725 6.549 1.00 0.00 C ATOM 1258 CG LYS B 136 -2.381 5.629 7.664 1.00 0.00 C ATOM 1259 CD LYS B 136 -1.783 4.843 8.842 1.00 0.00 C ATOM 1260 CE LYS B 136 -2.751 3.906 9.574 1.00 0.00 C ATOM 1261 NZ LYS B 136 -3.849 4.632 10.257 1.00 0.00 N1+ ATOM 0 H LYS B 136 -3.851 3.611 4.591 1.00 0.00 H new ATOM 0 HA LYS B 136 -4.305 6.151 5.735 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -3.713 4.086 6.957 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -2.135 4.068 6.195 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -1.616 6.285 7.248 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -3.183 6.269 8.032 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -0.944 4.253 8.473 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -1.380 5.554 9.563 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -3.177 3.201 8.860 1.00 0.00 H new ATOM 0 HE3 LYS B 136 -2.197 3.321 10.308 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 -4.472 3.950 10.735 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 -3.448 5.286 10.960 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -4.398 5.170 9.556 1.00 0.00 H new ATOM 1275 N LEU B 137 -1.480 5.984 4.022 1.00 0.00 N ATOM 1276 CA LEU B 137 -0.490 6.803 3.310 1.00 0.00 C ATOM 1277 C LEU B 137 -1.150 7.755 2.293 1.00 0.00 C ATOM 1278 O LEU B 137 -0.772 8.928 2.207 1.00 0.00 O ATOM 1279 CB LEU B 137 0.509 5.871 2.588 1.00 0.00 C ATOM 1280 CG LEU B 137 1.863 5.676 3.284 1.00 0.00 C ATOM 1281 CD1 LEU B 137 1.772 5.179 4.724 1.00 0.00 C ATOM 1282 CD2 LEU B 137 2.667 4.662 2.474 1.00 0.00 C ATOM 0 H LEU B 137 -1.333 4.981 3.909 1.00 0.00 H new ATOM 0 HA LEU B 137 0.029 7.422 4.042 1.00 0.00 H new ATOM 0 HB2 LEU B 137 0.041 4.894 2.464 1.00 0.00 H new ATOM 0 HB3 LEU B 137 0.689 6.267 1.589 1.00 0.00 H new ATOM 0 HG LEU B 137 2.335 6.657 3.330 1.00 0.00 H new ATOM 0 HD11 LEU B 137 2.775 5.070 5.135 1.00 0.00 H new ATOM 0 HD12 LEU B 137 1.210 5.897 5.322 1.00 0.00 H new ATOM 0 HD13 LEU B 137 1.265 4.214 4.745 1.00 0.00 H new ATOM 0 HD21 LEU B 137 3.636 4.504 2.947 1.00 0.00 H new ATOM 0 HD22 LEU B 137 2.125 3.717 2.433 1.00 0.00 H new ATOM 0 HD23 LEU B 137 2.815 5.040 1.462 1.00 0.00 H new ATOM 1294 N LYS B 138 -2.155 7.270 1.551 1.00 0.00 N ATOM 1295 CA LYS B 138 -2.901 8.045 0.548 1.00 0.00 C ATOM 1296 C LYS B 138 -3.714 9.175 1.191 1.00 0.00 C ATOM 1297 O LYS B 138 -3.567 10.325 0.785 1.00 0.00 O ATOM 1298 CB LYS B 138 -3.790 7.095 -0.281 1.00 0.00 C ATOM 1299 CG LYS B 138 -4.495 7.741 -1.487 1.00 0.00 C ATOM 1300 CD LYS B 138 -3.518 8.317 -2.530 1.00 0.00 C ATOM 1301 CE LYS B 138 -4.181 8.518 -3.899 1.00 0.00 C ATOM 1302 NZ LYS B 138 -5.308 9.483 -3.853 1.00 0.00 N1+ ATOM 0 H LYS B 138 -2.480 6.307 1.633 1.00 0.00 H new ATOM 0 HA LYS B 138 -2.189 8.527 -0.122 1.00 0.00 H new ATOM 0 HB2 LYS B 138 -3.176 6.269 -0.640 1.00 0.00 H new ATOM 0 HB3 LYS B 138 -4.547 6.667 0.376 1.00 0.00 H new ATOM 0 HG2 LYS B 138 -5.131 6.998 -1.968 1.00 0.00 H new ATOM 0 HG3 LYS B 138 -5.148 8.538 -1.132 1.00 0.00 H new ATOM 0 HD2 LYS B 138 -3.130 9.271 -2.173 1.00 0.00 H new ATOM 0 HD3 LYS B 138 -2.666 7.646 -2.636 1.00 0.00 H new ATOM 0 HE2 LYS B 138 -3.435 8.870 -4.611 1.00 0.00 H new ATOM 0 HE3 LYS B 138 -4.544 7.558 -4.267 1.00 0.00 H new ATOM 0 HZ1 LYS B 138 -5.476 9.866 -4.805 1.00 0.00 H new ATOM 0 HZ2 LYS B 138 -6.166 9.000 -3.518 1.00 0.00 H new ATOM 0 HZ3 LYS B 138 -5.073 10.261 -3.204 1.00 0.00 H new ATOM 1316 N GLN B 139 -4.541 8.880 2.201 1.00 0.00 N ATOM 1317 CA GLN B 139 -5.392 9.892 2.837 1.00 0.00 C ATOM 1318 C GLN B 139 -4.588 10.931 3.645 1.00 0.00 C ATOM 1319 O GLN B 139 -4.999 12.087 3.725 1.00 0.00 O ATOM 1320 CB GLN B 139 -6.531 9.243 3.643 1.00 0.00 C ATOM 1321 CG GLN B 139 -6.138 8.778 5.048 1.00 0.00 C ATOM 1322 CD GLN B 139 -7.310 8.089 5.743 1.00 0.00 C ATOM 1323 OE1 GLN B 139 -8.374 8.649 5.961 1.00 0.00 O ATOM 1324 NE2 GLN B 139 -7.150 6.844 6.116 1.00 0.00 N ATOM 0 H GLN B 139 -4.639 7.945 2.596 1.00 0.00 H new ATOM 0 HA GLN B 139 -5.863 10.463 2.036 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -7.350 9.957 3.728 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -6.910 8.387 3.085 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -5.293 8.092 4.985 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -5.811 9.633 5.640 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -6.266 6.368 5.938 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -7.910 6.350 6.584 1.00 0.00 H new ATOM 1333 N GLN B 140 -3.419 10.561 4.185 1.00 0.00 N ATOM 1334 CA GLN B 140 -2.516 11.483 4.890 1.00 0.00 C ATOM 1335 C GLN B 140 -2.067 12.652 4.007 1.00 0.00 C ATOM 1336 O GLN B 140 -2.076 13.799 4.460 1.00 0.00 O ATOM 1337 CB GLN B 140 -1.293 10.710 5.404 1.00 0.00 C ATOM 1338 CG GLN B 140 -1.575 10.020 6.754 1.00 0.00 C ATOM 1339 CD GLN B 140 -0.499 9.007 7.159 1.00 0.00 C ATOM 1340 OE1 GLN B 140 0.432 8.681 6.433 1.00 0.00 O ATOM 1341 NE2 GLN B 140 -0.573 8.461 8.351 1.00 0.00 N ATOM 0 H GLN B 140 -3.069 9.604 4.145 1.00 0.00 H new ATOM 0 HA GLN B 140 -3.068 11.910 5.727 1.00 0.00 H new ATOM 0 HB2 GLN B 140 -1.001 9.961 4.668 1.00 0.00 H new ATOM 0 HB3 GLN B 140 -0.451 11.394 5.515 1.00 0.00 H new ATOM 0 HG2 GLN B 140 -1.658 10.780 7.531 1.00 0.00 H new ATOM 0 HG3 GLN B 140 -2.538 9.513 6.700 1.00 0.00 H new ATOM 0 HE21 GLN B 140 -1.336 8.711 8.980 1.00 0.00 H new ATOM 0 HE22 GLN B 140 0.133 7.787 8.648 1.00 0.00 H new ATOM 1350 N GLN B 141 -1.703 12.395 2.746 1.00 0.00 N ATOM 1351 CA GLN B 141 -1.380 13.467 1.790 1.00 0.00 C ATOM 1352 C GLN B 141 -2.621 14.121 1.147 1.00 0.00 C ATOM 1353 O GLN B 141 -2.614 15.330 0.906 1.00 0.00 O ATOM 1354 CB GLN B 141 -0.352 12.994 0.747 1.00 0.00 C ATOM 1355 CG GLN B 141 -0.774 11.844 -0.180 1.00 0.00 C ATOM 1356 CD GLN B 141 0.226 11.608 -1.318 1.00 0.00 C ATOM 1357 OE1 GLN B 141 0.974 12.489 -1.730 1.00 0.00 O ATOM 1358 NE2 GLN B 141 0.281 10.418 -1.882 1.00 0.00 N ATOM 0 H GLN B 141 -1.624 11.454 2.361 1.00 0.00 H new ATOM 0 HA GLN B 141 -0.916 14.265 2.370 1.00 0.00 H new ATOM 0 HB2 GLN B 141 -0.083 13.848 0.126 1.00 0.00 H new ATOM 0 HB3 GLN B 141 0.551 12.688 1.276 1.00 0.00 H new ATOM 0 HG2 GLN B 141 -0.876 10.930 0.405 1.00 0.00 H new ATOM 0 HG3 GLN B 141 -1.755 12.064 -0.602 1.00 0.00 H new ATOM 0 HE21 GLN B 141 -0.331 9.670 -1.556 1.00 0.00 H new ATOM 0 HE22 GLN B 141 0.936 10.245 -2.645 1.00 0.00 H new ATOM 1367 N LEU B 142 -3.697 13.362 0.887 1.00 0.00 N ATOM 1368 CA LEU B 142 -4.878 13.861 0.172 1.00 0.00 C ATOM 1369 C LEU B 142 -5.807 14.766 1.007 1.00 0.00 C ATOM 1370 O LEU B 142 -6.302 15.774 0.503 1.00 0.00 O ATOM 1371 CB LEU B 142 -5.664 12.642 -0.351 1.00 0.00 C ATOM 1372 CG LEU B 142 -6.636 12.987 -1.492 1.00 0.00 C ATOM 1373 CD1 LEU B 142 -5.858 13.286 -2.773 1.00 0.00 C ATOM 1374 CD2 LEU B 142 -7.571 11.810 -1.740 1.00 0.00 C ATOM 0 H LEU B 142 -3.771 12.384 1.168 1.00 0.00 H new ATOM 0 HA LEU B 142 -4.518 14.498 -0.636 1.00 0.00 H new ATOM 0 HB2 LEU B 142 -4.959 11.887 -0.699 1.00 0.00 H new ATOM 0 HB3 LEU B 142 -6.224 12.199 0.473 1.00 0.00 H new ATOM 0 HG LEU B 142 -7.214 13.866 -1.208 1.00 0.00 H new ATOM 0 HD11 LEU B 142 -6.556 13.529 -3.574 1.00 0.00 H new ATOM 0 HD12 LEU B 142 -5.191 14.131 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU B 142 -5.272 12.411 -3.055 1.00 0.00 H new ATOM 0 HD21 LEU B 142 -8.259 12.056 -2.549 1.00 0.00 H new ATOM 0 HD22 LEU B 142 -6.986 10.932 -2.016 1.00 0.00 H new ATOM 0 HD23 LEU B 142 -8.138 11.598 -0.833 1.00 0.00 H new ATOM 1386 N GLU B 143 -6.076 14.404 2.267 1.00 0.00 N ATOM 1387 CA GLU B 143 -7.129 15.034 3.086 1.00 0.00 C ATOM 1388 C GLU B 143 -6.641 16.255 3.887 1.00 0.00 C ATOM 1389 O GLU B 143 -7.448 17.116 4.244 1.00 0.00 O ATOM 1390 CB GLU B 143 -7.746 13.991 4.037 1.00 0.00 C ATOM 1391 CG GLU B 143 -8.407 12.778 3.355 1.00 0.00 C ATOM 1392 CD GLU B 143 -9.721 13.076 2.603 1.00 0.00 C ATOM 1393 OE1 GLU B 143 -10.321 12.115 2.065 1.00 0.00 O ATOM 1394 OE2 GLU B 143 -10.184 14.244 2.564 1.00 0.00 O1- ATOM 0 H GLU B 143 -5.570 13.664 2.753 1.00 0.00 H new ATOM 0 HA GLU B 143 -7.882 15.405 2.390 1.00 0.00 H new ATOM 0 HB2 GLU B 143 -6.965 13.629 4.706 1.00 0.00 H new ATOM 0 HB3 GLU B 143 -8.492 14.488 4.657 1.00 0.00 H new ATOM 0 HG2 GLU B 143 -7.695 12.346 2.651 1.00 0.00 H new ATOM 0 HG3 GLU B 143 -8.606 12.020 4.113 1.00 0.00 H new ATOM 1401 N GLN B 144 -5.336 16.346 4.178 1.00 0.00 N ATOM 1402 CA GLN B 144 -4.732 17.476 4.897 1.00 0.00 C ATOM 1403 C GLN B 144 -4.560 18.722 4.010 1.00 0.00 C ATOM 1404 O GLN B 144 -4.243 18.616 2.818 1.00 0.00 O ATOM 1405 CB GLN B 144 -3.388 17.062 5.523 1.00 0.00 C ATOM 1406 CG GLN B 144 -3.587 16.030 6.648 1.00 0.00 C ATOM 1407 CD GLN B 144 -2.302 15.815 7.447 1.00 0.00 C ATOM 1408 OE1 GLN B 144 -2.139 16.287 8.566 1.00 0.00 O ATOM 1409 NE2 GLN B 144 -1.328 15.121 6.900 1.00 0.00 N ATOM 0 H GLN B 144 -4.661 15.627 3.917 1.00 0.00 H new ATOM 0 HA GLN B 144 -5.424 17.752 5.692 1.00 0.00 H new ATOM 0 HB2 GLN B 144 -2.740 16.643 4.753 1.00 0.00 H new ATOM 0 HB3 GLN B 144 -2.883 17.943 5.920 1.00 0.00 H new ATOM 0 HG2 GLN B 144 -4.380 16.367 7.316 1.00 0.00 H new ATOM 0 HG3 GLN B 144 -3.913 15.082 6.220 1.00 0.00 H new ATOM 0 HE21 GLN B 144 -1.447 14.721 5.969 1.00 0.00 H new ATOM 0 HE22 GLN B 144 -0.454 14.983 7.407 1.00 0.00 H new ATOM 1418 N GLY B 145 -4.752 19.907 4.602 1.00 0.00 N ATOM 1419 CA GLY B 145 -4.605 21.229 3.971 1.00 0.00 C ATOM 1420 C GLY B 145 -3.204 21.819 4.160 1.00 0.00 C ATOM 1421 O GLY B 145 -2.380 21.721 3.224 1.00 0.00 O ATOM 1422 OXT GLY B 145 -2.945 22.375 5.249 1.00 0.00 O1- ATOM 0 H GLY B 145 -5.028 19.976 5.582 1.00 0.00 H new ATOM 0 HA2 GLY B 145 -4.819 21.145 2.906 1.00 0.00 H new ATOM 0 HA3 GLY B 145 -5.343 21.912 4.391 1.00 0.00 H new TER 1426 GLY B 145