USER MOD reduce.3.24.130724 H: found=0, std=0, add=1160, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1155 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 22 GLN : amide:sc= 0.896 K(o=1.9,f=0.86) USER MOD Set 1.2: A 86 THR OG1 : rot 61:sc= 0.963 USER MOD Set 2.1: A 4 HIS : no HE2:sc= -0.536 K(o=0.32,f=-4.8!) USER MOD Set 2.2: A 71 LYS NZ :NH3+ -160:sc= 0.852 (180deg=0) USER MOD Set 3.1: A 47 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0258) USER MOD Set 3.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ARG N :NH3+ 179:sc= 0 (180deg=-2.71e-05) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 166:sc= -0.0207 (180deg=-0.212) USER MOD Single : A 12 ASN : amide:sc= -0.251 K(o=-0.25,f=-1) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -141:sc=-0.00708 (180deg=-0.592) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot -6:sc= 0.856 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.467 K(o=-0.47,f=-3.9!) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc=-0.00164 (180deg=-0.161) USER MOD Single : A 54 ASN : amide:sc= -1.51 K(o=-1.5,f=-0.26) USER MOD Single : A 57 TYR OH : rot -30:sc= 0.99 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0.937 K(o=0.94,f=-4.9!) USER MOD Single : A 60 THR OG1 : rot 71:sc= 1.17 USER MOD Single : A 61 HIS : no HE2:sc= 0.642 K(o=0.64,f=-2.8!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -112:sc= -0.0192 (180deg=-2.13) USER MOD Single : A 70 ASN : amide:sc= -0.219 K(o=-0.22,f=-1.5!) USER MOD Single : A 72 LYS NZ :NH3+ -164:sc= -0.0429 (180deg=-0.331) USER MOD Single : A 79 THR OG1 : rot 49:sc= 0.297 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 144:sc= 0 (180deg=-0.578) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 150:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -170:sc= -0.0131 (180deg=-0.146) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 MET CE :methyl -167:sc= -0.0131 (180deg=-0.242) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot -32:sc= 0.496 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 138:sc= -1.26 (180deg=-3.96!) USER MOD Single : A 122 ASN : amide:sc= -1.25 X(o=-1.3,f=-1.4!) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ -111:sc= 0.511 (180deg=-0.0263) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 MET CE :methyl 162:sc= -0.0527 (180deg=-0.312) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 7.080 5.042 3.228 1.00999.99 N ATOM 2 CA ARG A 1 6.104 3.947 3.170 1.00999.99 C ATOM 3 C ARG A 1 4.689 4.501 3.031 1.00999.99 C ATOM 4 O ARG A 1 3.778 4.093 3.754 1.00999.99 O ATOM 5 CB ARG A 1 6.191 3.077 4.431 1.00999.99 C ATOM 6 CG ARG A 1 6.711 1.668 4.179 1.00999.99 C ATOM 7 CD ARG A 1 7.453 1.126 5.394 1.00999.99 C ATOM 8 NE ARG A 1 6.628 1.164 6.599 1.00999.99 N ATOM 9 CZ ARG A 1 7.114 1.056 7.833 1.00999.99 C ATOM 10 NH1 ARG A 1 8.416 0.890 8.025 1.00999.99 N1+ ATOM 11 NH2 ARG A 1 6.296 1.118 8.876 1.00999.99 N ATOM 0 H1 ARG A 1 8.036 4.649 3.340 1.00999.99 H new ATOM 0 H2 ARG A 1 7.034 5.595 2.349 1.00999.99 H new ATOM 0 H3 ARG A 1 6.862 5.658 4.037 1.00999.99 H new ATOM 0 HA ARG A 1 6.337 3.334 2.299 1.00999.99 H new ATOM 0 HB2 ARG A 1 6.841 3.569 5.155 1.00999.99 H new ATOM 0 HB3 ARG A 1 5.202 3.012 4.884 1.00999.99 H new ATOM 0 HG2 ARG A 1 5.878 1.009 3.935 1.00999.99 H new ATOM 0 HG3 ARG A 1 7.377 1.673 3.316 1.00999.99 H new ATOM 0 HD2 ARG A 1 7.765 0.100 5.200 1.00999.99 H new ATOM 0 HD3 ARG A 1 8.359 1.710 5.556 1.00999.99 H new ATOM 0 HE ARG A 1 5.621 1.280 6.488 1.00999.99 H new ATOM 0 HH11 ARG A 1 9.048 0.845 7.225 1.00999.99 H new ATOM 0 HH12 ARG A 1 8.785 0.808 8.972 1.00999.99 H new ATOM 0 HH21 ARG A 1 5.295 1.248 8.732 1.00999.99 H new ATOM 0 HH22 ARG A 1 6.669 1.035 9.822 1.00999.99 H new ATOM 25 N SER A 2 4.503 5.433 2.105 1.00999.99 N ATOM 26 CA SER A 2 3.193 6.037 1.897 1.00999.99 C ATOM 27 C SER A 2 2.740 5.889 0.449 1.00999.99 C ATOM 28 O SER A 2 3.534 6.046 -0.480 1.00999.99 O ATOM 29 CB SER A 2 3.229 7.520 2.278 1.00999.99 C ATOM 30 OG SER A 2 3.572 7.689 3.643 1.00999.99 O ATOM 0 H SER A 2 5.237 5.785 1.490 1.00999.99 H new ATOM 0 HA SER A 2 2.479 5.515 2.535 1.00999.99 H new ATOM 0 HB2 SER A 2 3.952 8.042 1.651 1.00999.99 H new ATOM 0 HB3 SER A 2 2.256 7.972 2.086 1.00999.99 H new ATOM 0 HG SER A 2 3.590 8.645 3.860 1.00999.99 H new ATOM 36 N TRP A 3 1.458 5.587 0.266 1.00961.25 N ATOM 37 CA TRP A 3 0.881 5.429 -1.066 1.00589.86 C ATOM 38 C TRP A 3 -0.224 6.456 -1.285 1.00493.74 C ATOM 39 O TRP A 3 -0.918 6.841 -0.345 1.00682.58 O ATOM 40 CB TRP A 3 0.336 4.008 -1.276 1.00641.29 C ATOM 41 CG TRP A 3 1.402 2.970 -1.488 1.00474.01 C ATOM 42 CD1 TRP A 3 2.752 3.150 -1.414 1.00334.40 C ATOM 43 CD2 TRP A 3 1.203 1.589 -1.825 1.00754.74 C ATOM 44 NE1 TRP A 3 3.406 1.973 -1.679 1.00404.94 N ATOM 45 CE2 TRP A 3 2.479 0.997 -1.933 1.00651.42 C ATOM 46 CE3 TRP A 3 0.072 0.797 -2.042 1.00999.99 C ATOM 47 CZ2 TRP A 3 2.651 -0.349 -2.250 1.00999.99 C ATOM 48 CZ3 TRP A 3 0.245 -0.539 -2.357 1.00999.99 C ATOM 49 CH2 TRP A 3 1.525 -1.100 -2.457 1.00999.99 C ATOM 0 H TRP A 3 0.795 5.446 1.028 1.00961.25 H new ATOM 0 HA TRP A 3 1.673 5.594 -1.797 1.00589.86 H new ATOM 0 HB2 TRP A 3 -0.263 3.728 -0.409 1.00641.29 H new ATOM 0 HB3 TRP A 3 -0.332 4.010 -2.138 1.00641.29 H new ATOM 0 HD1 TRP A 3 3.237 4.086 -1.180 1.00334.40 H new ATOM 0 HE1 TRP A 3 4.418 1.846 -1.686 1.00404.94 H new ATOM 0 HE3 TRP A 3 -0.919 1.220 -1.965 1.00999.99 H new ATOM 0 HZ2 TRP A 3 3.636 -0.784 -2.329 1.00999.99 H new ATOM 0 HZ3 TRP A 3 -0.622 -1.160 -2.529 1.00999.99 H new ATOM 0 HH2 TRP A 3 1.626 -2.147 -2.703 1.00999.99 H new ATOM 60 N HIS A 4 -0.369 6.903 -2.527 1.00485.67 N ATOM 61 CA HIS A 4 -1.381 7.895 -2.870 1.00599.86 C ATOM 62 C HIS A 4 -2.730 7.228 -3.161 1.00506.44 C ATOM 63 O HIS A 4 -2.899 6.028 -2.945 1.00750.28 O ATOM 64 CB HIS A 4 -0.914 8.715 -4.082 1.00970.13 C ATOM 65 CG HIS A 4 -1.423 10.126 -4.092 1.00999.99 C ATOM 66 ND1 HIS A 4 -1.066 11.080 -3.165 1.00999.99 N ATOM 67 CD2 HIS A 4 -2.282 10.739 -4.946 1.00999.99 C ATOM 68 CE1 HIS A 4 -1.705 12.216 -3.477 1.00999.99 C ATOM 69 NE2 HIS A 4 -2.455 12.061 -4.549 1.00999.99 N ATOM 0 H HIS A 4 0.202 6.594 -3.314 1.00485.67 H new ATOM 0 HA HIS A 4 -1.516 8.561 -2.018 1.00599.86 H new ATOM 0 HB2 HIS A 4 0.176 8.732 -4.099 1.00970.13 H new ATOM 0 HB3 HIS A 4 -1.239 8.215 -4.994 1.00970.13 H new ATOM 0 HD1 HIS A 4 -0.428 10.946 -2.380 1.00999.99 H new ATOM 0 HD2 HIS A 4 -2.756 10.274 -5.798 1.00999.99 H new ATOM 0 HE1 HIS A 4 -1.617 13.138 -2.922 1.00999.99 H new ATOM 77 N TYR A 5 -3.682 8.020 -3.653 1.00433.07 N ATOM 78 CA TYR A 5 -5.022 7.527 -3.977 1.00537.26 C ATOM 79 C TYR A 5 -4.984 6.567 -5.164 1.00417.42 C ATOM 80 O TYR A 5 -5.865 5.724 -5.323 1.00455.89 O ATOM 81 CB TYR A 5 -5.961 8.697 -4.286 1.00863.64 C ATOM 82 CG TYR A 5 -6.304 9.541 -3.075 1.00999.99 C ATOM 83 CD1 TYR A 5 -5.560 10.671 -2.758 1.00999.99 C ATOM 84 CD2 TYR A 5 -7.370 9.205 -2.250 1.00999.99 C ATOM 85 CE1 TYR A 5 -5.871 11.443 -1.655 1.00999.99 C ATOM 86 CE2 TYR A 5 -7.687 9.973 -1.146 1.00999.99 C ATOM 87 CZ TYR A 5 -6.933 11.089 -0.851 1.00999.99 C ATOM 88 OH TYR A 5 -7.245 11.855 0.248 1.00999.99 O ATOM 0 H TYR A 5 -3.549 9.014 -3.837 1.00433.07 H new ATOM 0 HA TYR A 5 -5.397 6.986 -3.108 1.00537.26 H new ATOM 0 HB2 TYR A 5 -5.498 9.333 -5.041 1.00863.64 H new ATOM 0 HB3 TYR A 5 -6.882 8.307 -4.718 1.00863.64 H new ATOM 0 HD1 TYR A 5 -4.725 10.950 -3.384 1.00999.99 H new ATOM 0 HD2 TYR A 5 -7.961 8.329 -2.475 1.00999.99 H new ATOM 0 HE1 TYR A 5 -5.284 12.320 -1.424 1.00999.99 H new ATOM 0 HE2 TYR A 5 -8.522 9.700 -0.517 1.00999.99 H new ATOM 0 HH TYR A 5 -8.020 11.469 0.706 1.00999.99 H new ATOM 98 N VAL A 6 -3.961 6.709 -6.000 1.00334.13 N ATOM 99 CA VAL A 6 -3.806 5.857 -7.170 1.00279.07 C ATOM 100 C VAL A 6 -2.787 4.755 -6.880 1.00238.43 C ATOM 101 O VAL A 6 -1.664 5.029 -6.452 1.00244.26 O ATOM 102 CB VAL A 6 -3.354 6.670 -8.405 1.00314.05 C ATOM 103 CG1 VAL A 6 -3.187 5.773 -9.625 1.00362.37 C ATOM 104 CG2 VAL A 6 -4.343 7.792 -8.697 1.00375.52 C ATOM 0 H VAL A 6 -3.226 7.408 -5.887 1.00334.13 H new ATOM 0 HA VAL A 6 -4.776 5.413 -7.392 1.00279.07 H new ATOM 0 HB VAL A 6 -2.383 7.112 -8.179 1.00314.05 H new ATOM 0 HG11 VAL A 6 -2.869 6.373 -10.477 1.00362.37 H new ATOM 0 HG12 VAL A 6 -2.435 5.012 -9.417 1.00362.37 H new ATOM 0 HG13 VAL A 6 -4.137 5.291 -9.855 1.00362.37 H new ATOM 0 HG21 VAL A 6 -4.009 8.354 -9.569 1.00375.52 H new ATOM 0 HG22 VAL A 6 -5.327 7.367 -8.894 1.00375.52 H new ATOM 0 HG23 VAL A 6 -4.401 8.459 -7.837 1.00375.52 H new ATOM 114 N GLU A 7 -3.195 3.510 -7.108 1.00247.88 N ATOM 115 CA GLU A 7 -2.335 2.359 -6.860 1.00261.23 C ATOM 116 C GLU A 7 -1.329 2.172 -7.998 1.00258.13 C ATOM 117 O GLU A 7 -1.558 2.632 -9.118 1.00295.56 O ATOM 118 CB GLU A 7 -3.191 1.088 -6.694 1.00329.01 C ATOM 119 CG GLU A 7 -3.879 0.619 -7.976 1.00524.54 C ATOM 120 CD GLU A 7 -5.271 1.197 -8.162 1.00700.51 C ATOM 121 OE1 GLU A 7 -5.577 2.237 -7.542 1.00710.30 O ATOM 122 OE2 GLU A 7 -6.056 0.605 -8.931 1.00999.99 O1- ATOM 0 H GLU A 7 -4.120 3.273 -7.466 1.00247.88 H new ATOM 0 HA GLU A 7 -1.778 2.539 -5.940 1.00261.23 H new ATOM 0 HB2 GLU A 7 -2.557 0.284 -6.321 1.00329.01 H new ATOM 0 HB3 GLU A 7 -3.951 1.273 -5.935 1.00329.01 H new ATOM 0 HG2 GLU A 7 -3.262 0.894 -8.832 1.00524.54 H new ATOM 0 HG3 GLU A 7 -3.944 -0.469 -7.967 1.00524.54 H new ATOM 129 N PRO A 8 -0.192 1.496 -7.724 1.00283.22 N ATOM 130 CA PRO A 8 0.842 1.253 -8.736 1.00342.38 C ATOM 131 C PRO A 8 0.381 0.285 -9.825 1.00407.81 C ATOM 132 O PRO A 8 -0.468 -0.578 -9.592 1.00426.47 O ATOM 133 CB PRO A 8 1.995 0.645 -7.930 1.00426.65 C ATOM 134 CG PRO A 8 1.341 0.041 -6.736 1.00436.63 C ATOM 135 CD PRO A 8 0.186 0.943 -6.406 1.00337.38 C ATOM 0 HA PRO A 8 1.110 2.166 -9.267 1.00342.38 H new ATOM 0 HB2 PRO A 8 2.532 -0.106 -8.510 1.00426.65 H new ATOM 0 HB3 PRO A 8 2.721 1.405 -7.642 1.00426.65 H new ATOM 0 HG2 PRO A 8 0.999 -0.972 -6.947 1.00436.63 H new ATOM 0 HG3 PRO A 8 2.037 -0.026 -5.900 1.00436.63 H new ATOM 0 HD2 PRO A 8 -0.637 0.394 -5.948 1.00337.38 H new ATOM 0 HD3 PRO A 8 0.474 1.728 -5.707 1.00337.38 H new ATOM 143 N LYS A 9 0.950 0.434 -11.014 1.00517.29 N ATOM 144 CA LYS A 9 0.602 -0.418 -12.144 1.00659.90 C ATOM 145 C LYS A 9 1.755 -1.357 -12.476 1.00611.96 C ATOM 146 O LYS A 9 2.920 -1.027 -12.244 1.00826.27 O ATOM 147 CB LYS A 9 0.254 0.435 -13.368 1.00999.99 C ATOM 148 CG LYS A 9 -0.950 1.343 -13.161 1.00999.99 C ATOM 149 CD LYS A 9 -1.186 2.249 -14.361 1.00999.99 C ATOM 150 CE LYS A 9 -1.677 1.467 -15.571 1.00999.99 C ATOM 151 NZ LYS A 9 -3.029 0.886 -15.346 1.00999.99 N1+ ATOM 0 H LYS A 9 1.657 1.139 -11.221 1.00517.29 H new ATOM 0 HA LYS A 9 -0.269 -1.013 -11.870 1.00659.90 H new ATOM 0 HB2 LYS A 9 1.117 1.046 -13.631 1.00999.99 H new ATOM 0 HB3 LYS A 9 0.060 -0.223 -14.215 1.00999.99 H new ATOM 0 HG2 LYS A 9 -1.837 0.736 -12.984 1.00999.99 H new ATOM 0 HG3 LYS A 9 -0.797 1.952 -12.270 1.00999.99 H new ATOM 0 HD2 LYS A 9 -1.918 3.014 -14.101 1.00999.99 H new ATOM 0 HD3 LYS A 9 -0.260 2.766 -14.614 1.00999.99 H new ATOM 0 HE2 LYS A 9 -1.704 2.123 -16.441 1.00999.99 H new ATOM 0 HE3 LYS A 9 -0.971 0.668 -15.797 1.00999.99 H new ATOM 0 HZ1 LYS A 9 -3.427 0.570 -16.254 1.00999.99 H new ATOM 0 HZ2 LYS A 9 -2.955 0.075 -14.699 1.00999.99 H new ATOM 0 HZ3 LYS A 9 -3.651 1.607 -14.928 1.00999.99 H new ATOM 165 N PHE A 10 1.431 -2.523 -13.023 1.00593.04 N ATOM 166 CA PHE A 10 2.446 -3.506 -13.378 1.00718.66 C ATOM 167 C PHE A 10 3.074 -3.183 -14.733 1.00444.77 C ATOM 168 O PHE A 10 2.779 -3.833 -15.738 1.00430.55 O ATOM 169 CB PHE A 10 1.847 -4.916 -13.401 1.00999.99 C ATOM 170 CG PHE A 10 1.321 -5.372 -12.069 1.00999.99 C ATOM 171 CD1 PHE A 10 -0.032 -5.283 -11.773 1.00999.99 C ATOM 172 CD2 PHE A 10 2.179 -5.889 -11.112 1.00999.99 C ATOM 173 CE1 PHE A 10 -0.515 -5.698 -10.547 1.00999.99 C ATOM 174 CE2 PHE A 10 1.700 -6.307 -9.884 1.00999.99 C ATOM 175 CZ PHE A 10 0.352 -6.211 -9.602 1.00999.99 C ATOM 0 H PHE A 10 0.474 -2.810 -13.230 1.00593.04 H new ATOM 0 HA PHE A 10 3.227 -3.467 -12.619 1.00718.66 H new ATOM 0 HB2 PHE A 10 1.038 -4.945 -14.130 1.00999.99 H new ATOM 0 HB3 PHE A 10 2.608 -5.619 -13.741 1.00999.99 H new ATOM 0 HD1 PHE A 10 -0.715 -4.885 -12.509 1.00999.99 H new ATOM 0 HD2 PHE A 10 3.234 -5.966 -11.328 1.00999.99 H new ATOM 0 HE1 PHE A 10 -1.570 -5.621 -10.328 1.00999.99 H new ATOM 0 HE2 PHE A 10 2.380 -6.708 -9.147 1.00999.99 H new ATOM 0 HZ PHE A 10 -0.024 -6.537 -8.643 1.00999.99 H new ATOM 185 N LEU A 11 3.912 -2.148 -14.747 1.00349.73 N ATOM 186 CA LEU A 11 4.612 -1.719 -15.959 1.00235.63 C ATOM 187 C LEU A 11 5.442 -2.857 -16.555 1.00206.14 C ATOM 188 O LEU A 11 5.904 -3.743 -15.833 1.00278.24 O ATOM 189 CB LEU A 11 5.520 -0.521 -15.660 1.00330.72 C ATOM 190 CG LEU A 11 4.906 0.856 -15.934 1.00430.08 C ATOM 191 CD1 LEU A 11 3.902 1.227 -14.852 1.00480.09 C ATOM 192 CD2 LEU A 11 5.997 1.913 -16.033 1.00781.60 C ATOM 0 H LEU A 11 4.125 -1.585 -13.924 1.00349.73 H new ATOM 0 HA LEU A 11 3.856 -1.425 -16.688 1.00235.63 H new ATOM 0 HB2 LEU A 11 5.817 -0.565 -14.612 1.00330.72 H new ATOM 0 HB3 LEU A 11 6.429 -0.619 -16.254 1.00330.72 H new ATOM 0 HG LEU A 11 4.378 0.810 -16.886 1.00430.08 H new ATOM 0 HD11 LEU A 11 3.480 2.208 -15.068 1.00480.09 H new ATOM 0 HD12 LEU A 11 3.103 0.486 -14.827 1.00480.09 H new ATOM 0 HD13 LEU A 11 4.403 1.253 -13.884 1.00480.09 H new ATOM 0 HD21 LEU A 11 5.545 2.885 -16.228 1.00781.60 H new ATOM 0 HD22 LEU A 11 6.552 1.952 -15.096 1.00781.60 H new ATOM 0 HD23 LEU A 11 6.677 1.659 -16.847 1.00781.60 H new ATOM 204 N ASN A 12 5.630 -2.824 -17.871 1.00156.36 N ATOM 205 CA ASN A 12 6.410 -3.848 -18.562 1.00143.87 C ATOM 206 C ASN A 12 7.851 -3.857 -18.057 1.00134.56 C ATOM 207 O ASN A 12 8.510 -2.816 -18.018 1.00124.23 O ATOM 208 CB ASN A 12 6.380 -3.610 -20.075 1.00149.74 C ATOM 209 CG ASN A 12 6.954 -4.775 -20.859 1.00157.35 C ATOM 210 OD1 ASN A 12 6.907 -5.922 -20.414 1.00185.89 O ATOM 211 ND2 ASN A 12 7.494 -4.490 -22.036 1.00216.75 N ATOM 0 H ASN A 12 5.253 -2.099 -18.481 1.00156.36 H new ATOM 0 HA ASN A 12 5.964 -4.820 -18.352 1.00143.87 H new ATOM 0 HB2 ASN A 12 5.352 -3.435 -20.391 1.00149.74 H new ATOM 0 HB3 ASN A 12 6.943 -2.707 -20.308 1.00149.74 H new ATOM 0 HD21 ASN A 12 7.890 -5.235 -22.609 1.00216.75 H new ATOM 0 HD22 ASN A 12 7.513 -3.526 -22.368 1.00216.75 H new ATOM 218 N LYS A 13 8.334 -5.043 -17.684 1.00148.99 N ATOM 219 CA LYS A 13 9.690 -5.199 -17.157 1.00152.70 C ATOM 220 C LYS A 13 10.743 -4.789 -18.182 1.00126.31 C ATOM 221 O LYS A 13 11.746 -4.167 -17.831 1.00117.25 O ATOM 222 CB LYS A 13 9.925 -6.648 -16.721 1.00189.09 C ATOM 223 CG LYS A 13 9.135 -7.050 -15.485 1.00262.69 C ATOM 224 CD LYS A 13 9.402 -8.497 -15.100 1.00423.01 C ATOM 225 CE LYS A 13 8.616 -8.895 -13.862 1.00603.99 C ATOM 226 NZ LYS A 13 8.861 -10.313 -13.481 1.00902.90 N1+ ATOM 0 H LYS A 13 7.804 -5.913 -17.738 1.00148.99 H new ATOM 0 HA LYS A 13 9.786 -4.540 -16.294 1.00152.70 H new ATOM 0 HB2 LYS A 13 9.660 -7.313 -17.543 1.00189.09 H new ATOM 0 HB3 LYS A 13 10.988 -6.791 -16.525 1.00189.09 H new ATOM 0 HG2 LYS A 13 9.400 -6.396 -14.654 1.00262.69 H new ATOM 0 HG3 LYS A 13 8.070 -6.913 -15.672 1.00262.69 H new ATOM 0 HD2 LYS A 13 9.133 -9.151 -15.929 1.00423.01 H new ATOM 0 HD3 LYS A 13 10.467 -8.636 -14.917 1.00423.01 H new ATOM 0 HE2 LYS A 13 8.891 -8.244 -13.032 1.00603.99 H new ATOM 0 HE3 LYS A 13 7.552 -8.747 -14.045 1.00603.99 H new ATOM 0 HZ1 LYS A 13 8.307 -10.545 -12.632 1.00902.90 H new ATOM 0 HZ2 LYS A 13 8.575 -10.937 -14.262 1.00902.90 H new ATOM 0 HZ3 LYS A 13 9.873 -10.449 -13.282 1.00902.90 H new ATOM 240 N ALA A 14 10.515 -5.143 -19.444 1.00121.35 N ATOM 241 CA ALA A 14 11.447 -4.802 -20.516 1.00105.33 C ATOM 242 C ALA A 14 11.626 -3.294 -20.639 1.00 85.51 C ATOM 243 O ALA A 14 12.729 -2.804 -20.875 1.00 77.98 O ATOM 244 CB ALA A 14 10.984 -5.397 -21.837 1.00112.67 C ATOM 0 H ALA A 14 9.694 -5.665 -19.750 1.00121.35 H new ATOM 0 HA ALA A 14 12.416 -5.231 -20.263 1.00105.33 H new ATOM 0 HB1 ALA A 14 11.691 -5.132 -22.623 1.00112.67 H new ATOM 0 HB2 ALA A 14 10.930 -6.482 -21.748 1.00112.67 H new ATOM 0 HB3 ALA A 14 9.999 -5.004 -22.088 1.00112.67 H new ATOM 250 N PHE A 15 10.530 -2.566 -20.493 1.00 84.90 N ATOM 251 CA PHE A 15 10.563 -1.113 -20.571 1.00 75.82 C ATOM 252 C PHE A 15 11.267 -0.535 -19.347 1.00 70.57 C ATOM 253 O PHE A 15 11.961 0.479 -19.434 1.00 63.80 O ATOM 254 CB PHE A 15 9.141 -0.550 -20.668 1.00 90.27 C ATOM 255 CG PHE A 15 8.483 -0.756 -22.007 1.00101.24 C ATOM 256 CD1 PHE A 15 9.150 -1.397 -23.044 1.00246.12 C ATOM 257 CD2 PHE A 15 7.191 -0.308 -22.228 1.00164.08 C ATOM 258 CE1 PHE A 15 8.539 -1.585 -24.269 1.00265.05 C ATOM 259 CE2 PHE A 15 6.576 -0.493 -23.451 1.00181.35 C ATOM 260 CZ PHE A 15 7.250 -1.132 -24.473 1.00136.81 C ATOM 0 H PHE A 15 9.604 -2.958 -20.319 1.00 84.90 H new ATOM 0 HA PHE A 15 11.116 -0.828 -21.466 1.00 75.82 H new ATOM 0 HB2 PHE A 15 8.525 -1.015 -19.898 1.00 90.27 H new ATOM 0 HB3 PHE A 15 9.170 0.518 -20.451 1.00 90.27 H new ATOM 0 HD1 PHE A 15 10.158 -1.753 -22.891 1.00246.12 H new ATOM 0 HD2 PHE A 15 6.657 0.193 -21.434 1.00164.08 H new ATOM 0 HE1 PHE A 15 9.069 -2.086 -25.066 1.00265.05 H new ATOM 0 HE2 PHE A 15 5.568 -0.138 -23.608 1.00181.35 H new ATOM 0 HZ PHE A 15 6.770 -1.277 -25.430 1.00136.81 H new ATOM 270 N GLU A 16 11.079 -1.197 -18.206 1.00 80.12 N ATOM 271 CA GLU A 16 11.672 -0.751 -16.947 1.00 82.30 C ATOM 272 C GLU A 16 13.193 -0.867 -16.957 1.00 72.09 C ATOM 273 O GLU A 16 13.892 0.024 -16.475 1.00 70.72 O ATOM 274 CB GLU A 16 11.107 -1.555 -15.773 1.00100.14 C ATOM 275 CG GLU A 16 9.653 -1.243 -15.456 1.00165.35 C ATOM 276 CD GLU A 16 9.067 -2.186 -14.423 1.00317.63 C ATOM 277 OE1 GLU A 16 9.638 -3.281 -14.225 1.00440.18 O ATOM 278 OE2 GLU A 16 8.044 -1.827 -13.804 1.00524.44 O1- ATOM 0 H GLU A 16 10.519 -2.046 -18.128 1.00 80.12 H new ATOM 0 HA GLU A 16 11.414 0.301 -16.829 1.00 82.30 H new ATOM 0 HB2 GLU A 16 11.200 -2.618 -15.995 1.00100.14 H new ATOM 0 HB3 GLU A 16 11.712 -1.360 -14.887 1.00100.14 H new ATOM 0 HG2 GLU A 16 9.576 -0.218 -15.093 1.00165.35 H new ATOM 0 HG3 GLU A 16 9.065 -1.302 -16.372 1.00165.35 H new ATOM 285 N VAL A 17 13.708 -1.963 -17.513 1.00 72.90 N ATOM 286 CA VAL A 17 15.149 -2.175 -17.557 1.00 72.63 C ATOM 287 C VAL A 17 15.829 -1.278 -18.590 1.00 63.96 C ATOM 288 O VAL A 17 16.995 -0.919 -18.422 1.00 69.07 O ATOM 289 CB VAL A 17 15.518 -3.655 -17.809 1.00 90.30 C ATOM 290 CG1 VAL A 17 15.022 -4.520 -16.658 1.00148.72 C ATOM 291 CG2 VAL A 17 14.958 -4.156 -19.131 1.00214.56 C ATOM 0 H VAL A 17 13.154 -2.709 -17.934 1.00 72.90 H new ATOM 0 HA VAL A 17 15.521 -1.901 -16.570 1.00 72.63 H new ATOM 0 HB VAL A 17 16.604 -3.725 -17.867 1.00 90.30 H new ATOM 0 HG11 VAL A 17 15.287 -5.561 -16.845 1.00148.72 H new ATOM 0 HG12 VAL A 17 15.485 -4.189 -15.728 1.00148.72 H new ATOM 0 HG13 VAL A 17 13.939 -4.430 -16.576 1.00148.72 H new ATOM 0 HG21 VAL A 17 15.238 -5.200 -19.273 1.00214.56 H new ATOM 0 HG22 VAL A 17 13.871 -4.070 -19.122 1.00214.56 H new ATOM 0 HG23 VAL A 17 15.362 -3.558 -19.948 1.00214.56 H new ATOM 301 N ALA A 18 15.108 -0.915 -19.656 1.00 57.17 N ATOM 302 CA ALA A 18 15.669 -0.038 -20.679 1.00 56.13 C ATOM 303 C ALA A 18 15.985 1.327 -20.076 1.00 56.68 C ATOM 304 O ALA A 18 17.049 1.899 -20.314 1.00 61.91 O ATOM 305 CB ALA A 18 14.700 0.103 -21.846 1.00 55.42 C ATOM 0 H ALA A 18 14.148 -1.212 -19.829 1.00 57.17 H new ATOM 0 HA ALA A 18 16.593 -0.477 -21.054 1.00 56.13 H new ATOM 0 HB1 ALA A 18 15.132 0.760 -22.601 1.00 55.42 H new ATOM 0 HB2 ALA A 18 14.512 -0.878 -22.283 1.00 55.42 H new ATOM 0 HB3 ALA A 18 13.761 0.528 -21.490 1.00 55.42 H new ATOM 311 N LEU A 19 15.038 1.834 -19.289 1.00 56.75 N ATOM 312 CA LEU A 19 15.191 3.117 -18.610 1.00 63.59 C ATOM 313 C LEU A 19 16.213 3.022 -17.481 1.00 62.95 C ATOM 314 O LEU A 19 16.973 3.959 -17.236 1.00 66.21 O ATOM 315 CB LEU A 19 13.845 3.595 -18.054 1.00 74.19 C ATOM 316 CG LEU A 19 13.070 4.567 -18.953 1.00167.83 C ATOM 317 CD1 LEU A 19 13.901 5.808 -19.238 1.00321.59 C ATOM 318 CD2 LEU A 19 12.658 3.888 -20.252 1.00287.80 C ATOM 0 H LEU A 19 14.149 1.370 -19.105 1.00 56.75 H new ATOM 0 HA LEU A 19 15.551 3.840 -19.342 1.00 63.59 H new ATOM 0 HB2 LEU A 19 13.219 2.723 -17.865 1.00 74.19 H new ATOM 0 HB3 LEU A 19 14.019 4.077 -17.092 1.00 74.19 H new ATOM 0 HG LEU A 19 12.166 4.872 -18.427 1.00167.83 H new ATOM 0 HD11 LEU A 19 13.335 6.486 -19.877 1.00321.59 H new ATOM 0 HD12 LEU A 19 14.141 6.309 -18.300 1.00321.59 H new ATOM 0 HD13 LEU A 19 14.824 5.520 -19.742 1.00321.59 H new ATOM 0 HD21 LEU A 19 12.110 4.595 -20.874 1.00287.80 H new ATOM 0 HD22 LEU A 19 13.547 3.550 -20.784 1.00287.80 H new ATOM 0 HD23 LEU A 19 12.021 3.032 -20.029 1.00287.80 H new ATOM 330 N LYS A 20 16.226 1.870 -16.810 1.00 63.25 N ATOM 331 CA LYS A 20 17.123 1.628 -15.681 1.00 68.73 C ATOM 332 C LYS A 20 18.589 1.769 -16.084 1.00 68.61 C ATOM 333 O LYS A 20 19.375 2.367 -15.353 1.00 73.83 O ATOM 334 CB LYS A 20 16.873 0.229 -15.102 1.00 77.71 C ATOM 335 CG LYS A 20 17.726 -0.096 -13.882 1.00143.96 C ATOM 336 CD LYS A 20 17.412 -1.481 -13.334 1.00144.66 C ATOM 337 CE LYS A 20 18.227 -1.784 -12.087 1.00275.98 C ATOM 338 NZ LYS A 20 19.690 -1.794 -12.364 1.00491.97 N1+ ATOM 0 H LYS A 20 15.618 1.082 -17.033 1.00 63.25 H new ATOM 0 HA LYS A 20 16.911 2.381 -14.922 1.00 68.73 H new ATOM 0 HB2 LYS A 20 15.821 0.141 -14.831 1.00 77.71 H new ATOM 0 HB3 LYS A 20 17.066 -0.514 -15.876 1.00 77.71 H new ATOM 0 HG2 LYS A 20 18.781 -0.040 -14.149 1.00143.96 H new ATOM 0 HG3 LYS A 20 17.554 0.651 -13.107 1.00143.96 H new ATOM 0 HD2 LYS A 20 16.349 -1.549 -13.101 1.00144.66 H new ATOM 0 HD3 LYS A 20 17.620 -2.231 -14.097 1.00144.66 H new ATOM 0 HE2 LYS A 20 18.008 -1.039 -11.322 1.00275.98 H new ATOM 0 HE3 LYS A 20 17.928 -2.752 -11.685 1.00275.98 H new ATOM 0 HZ1 LYS A 20 20.140 -2.561 -11.825 1.00491.97 H new ATOM 0 HZ2 LYS A 20 19.850 -1.945 -13.380 1.00491.97 H new ATOM 0 HZ3 LYS A 20 20.103 -0.883 -12.080 1.00491.97 H new ATOM 352 N VAL A 21 18.949 1.245 -17.252 1.00 68.25 N ATOM 353 CA VAL A 21 20.331 1.315 -17.720 1.00 77.13 C ATOM 354 C VAL A 21 20.767 2.768 -17.927 1.00 72.55 C ATOM 355 O VAL A 21 21.863 3.159 -17.517 1.00 79.19 O ATOM 356 CB VAL A 21 20.515 0.521 -19.037 1.00 87.85 C ATOM 357 CG1 VAL A 21 21.897 0.751 -19.634 1.00179.68 C ATOM 358 CG2 VAL A 21 20.272 -0.964 -18.803 1.00139.80 C ATOM 0 H VAL A 21 18.309 0.770 -17.888 1.00 68.25 H new ATOM 0 HA VAL A 21 20.959 0.866 -16.950 1.00 77.13 H new ATOM 0 HB VAL A 21 19.779 0.886 -19.753 1.00 87.85 H new ATOM 0 HG11 VAL A 21 21.994 0.180 -20.557 1.00179.68 H new ATOM 0 HG12 VAL A 21 22.029 1.812 -19.848 1.00179.68 H new ATOM 0 HG13 VAL A 21 22.658 0.426 -18.925 1.00179.68 H new ATOM 0 HG21 VAL A 21 20.406 -1.506 -19.739 1.00139.80 H new ATOM 0 HG22 VAL A 21 20.981 -1.337 -18.063 1.00139.80 H new ATOM 0 HG23 VAL A 21 19.256 -1.113 -18.439 1.00139.80 H new ATOM 368 N GLN A 22 19.904 3.565 -18.552 1.00 66.64 N ATOM 369 CA GLN A 22 20.201 4.973 -18.800 1.00 67.43 C ATOM 370 C GLN A 22 20.321 5.747 -17.485 1.00 67.09 C ATOM 371 O GLN A 22 21.224 6.568 -17.313 1.00 72.47 O ATOM 372 CB GLN A 22 19.105 5.593 -19.672 1.00 68.33 C ATOM 373 CG GLN A 22 19.371 7.038 -20.066 1.00156.47 C ATOM 374 CD GLN A 22 18.274 7.615 -20.939 1.00187.92 C ATOM 375 OE1 GLN A 22 17.304 6.932 -21.274 1.00223.68 O ATOM 376 NE2 GLN A 22 18.418 8.878 -21.313 1.00483.12 N ATOM 0 H GLN A 22 18.994 3.260 -18.896 1.00 66.64 H new ATOM 0 HA GLN A 22 21.156 5.034 -19.322 1.00 67.43 H new ATOM 0 HB2 GLN A 22 18.993 4.995 -20.577 1.00 68.33 H new ATOM 0 HB3 GLN A 22 18.157 5.542 -19.137 1.00 68.33 H new ATOM 0 HG2 GLN A 22 19.470 7.644 -19.165 1.00156.47 H new ATOM 0 HG3 GLN A 22 20.321 7.097 -20.596 1.00156.47 H new ATOM 0 HE21 GLN A 22 19.236 9.408 -21.014 1.00483.12 H new ATOM 0 HE22 GLN A 22 17.711 9.320 -21.900 1.00483.12 H new ATOM 385 N ILE A 23 19.398 5.473 -16.565 1.00 65.18 N ATOM 386 CA ILE A 23 19.376 6.133 -15.261 1.00 70.35 C ATOM 387 C ILE A 23 20.609 5.769 -14.423 1.00 65.97 C ATOM 388 O ILE A 23 21.228 6.639 -13.805 1.00 64.17 O ATOM 389 CB ILE A 23 18.086 5.781 -14.487 1.00 77.55 C ATOM 390 CG1 ILE A 23 16.867 6.361 -15.209 1.00 84.70 C ATOM 391 CG2 ILE A 23 18.147 6.305 -13.060 1.00120.91 C ATOM 392 CD1 ILE A 23 15.541 5.864 -14.667 1.00 96.48 C ATOM 0 H ILE A 23 18.650 4.793 -16.700 1.00 65.18 H new ATOM 0 HA ILE A 23 19.395 7.208 -15.443 1.00 70.35 H new ATOM 0 HB ILE A 23 17.996 4.695 -14.447 1.00 77.55 H new ATOM 0 HG12 ILE A 23 16.895 7.448 -15.134 1.00 84.70 H new ATOM 0 HG13 ILE A 23 16.932 6.113 -16.268 1.00 84.70 H new ATOM 0 HG21 ILE A 23 17.227 6.044 -12.537 1.00120.91 H new ATOM 0 HG22 ILE A 23 18.997 5.858 -12.544 1.00120.91 H new ATOM 0 HG23 ILE A 23 18.261 7.389 -13.075 1.00120.91 H new ATOM 0 HD11 ILE A 23 14.725 6.319 -15.229 1.00 96.48 H new ATOM 0 HD12 ILE A 23 15.490 4.780 -14.767 1.00 96.48 H new ATOM 0 HD13 ILE A 23 15.453 6.136 -13.615 1.00 96.48 H new ATOM 404 N ILE A 24 20.964 4.484 -14.419 1.00 66.14 N ATOM 405 CA ILE A 24 22.117 4.000 -13.655 1.00 64.17 C ATOM 406 C ILE A 24 23.415 4.656 -14.126 1.00 62.01 C ATOM 407 O ILE A 24 24.257 5.024 -13.310 1.00 60.43 O ATOM 408 CB ILE A 24 22.249 2.456 -13.731 1.00 70.10 C ATOM 409 CG1 ILE A 24 21.092 1.781 -12.985 1.00179.04 C ATOM 410 CG2 ILE A 24 23.585 1.986 -13.164 1.00158.26 C ATOM 411 CD1 ILE A 24 21.031 2.117 -11.508 1.00324.41 C ATOM 0 H ILE A 24 20.470 3.757 -14.937 1.00 66.14 H new ATOM 0 HA ILE A 24 21.943 4.279 -12.616 1.00 64.17 H new ATOM 0 HB ILE A 24 22.207 2.170 -14.782 1.00 70.10 H new ATOM 0 HG12 ILE A 24 20.152 2.073 -13.453 1.00179.04 H new ATOM 0 HG13 ILE A 24 21.182 0.701 -13.098 1.00179.04 H new ATOM 0 HG21 ILE A 24 23.647 0.900 -13.231 1.00158.26 H new ATOM 0 HG22 ILE A 24 24.400 2.432 -13.735 1.00158.26 H new ATOM 0 HG23 ILE A 24 23.664 2.290 -12.120 1.00158.26 H new ATOM 0 HD11 ILE A 24 20.186 1.601 -11.052 1.00324.41 H new ATOM 0 HD12 ILE A 24 21.954 1.799 -11.024 1.00324.41 H new ATOM 0 HD13 ILE A 24 20.909 3.193 -11.384 1.00324.41 H new ATOM 423 N ALA A 25 23.572 4.806 -15.442 1.00 65.20 N ATOM 424 CA ALA A 25 24.781 5.414 -15.999 1.00 67.36 C ATOM 425 C ALA A 25 24.976 6.844 -15.490 1.00 61.38 C ATOM 426 O ALA A 25 26.091 7.234 -15.138 1.00 61.83 O ATOM 427 CB ALA A 25 24.723 5.399 -17.520 1.00 76.38 C ATOM 0 H ALA A 25 22.883 4.518 -16.137 1.00 65.20 H new ATOM 0 HA ALA A 25 25.635 4.824 -15.667 1.00 67.36 H new ATOM 0 HB1 ALA A 25 25.628 5.854 -17.923 1.00 76.38 H new ATOM 0 HB2 ALA A 25 24.647 4.370 -17.871 1.00 76.38 H new ATOM 0 HB3 ALA A 25 23.853 5.962 -17.856 1.00 76.38 H new ATOM 433 N GLY A 26 23.891 7.620 -15.448 1.00 59.56 N ATOM 434 CA GLY A 26 23.971 8.990 -14.957 1.00 59.27 C ATOM 435 C GLY A 26 24.350 9.061 -13.487 1.00 53.55 C ATOM 436 O GLY A 26 25.157 9.899 -13.080 1.00 56.28 O ATOM 0 H GLY A 26 22.961 7.325 -15.744 1.00 59.56 H new ATOM 0 HA2 GLY A 26 24.705 9.541 -15.545 1.00 59.27 H new ATOM 0 HA3 GLY A 26 23.010 9.482 -15.105 1.00 59.27 H new ATOM 440 N PHE A 27 23.769 8.165 -12.695 1.00 49.22 N ATOM 441 CA PHE A 27 24.039 8.107 -11.259 1.00 46.57 C ATOM 442 C PHE A 27 25.413 7.507 -10.971 1.00 45.25 C ATOM 443 O PHE A 27 25.973 7.710 -9.893 1.00 45.52 O ATOM 444 CB PHE A 27 22.944 7.343 -10.513 1.00 47.23 C ATOM 445 CG PHE A 27 21.714 8.169 -10.261 1.00 52.02 C ATOM 446 CD1 PHE A 27 20.546 7.938 -10.968 1.00 90.91 C ATOM 447 CD2 PHE A 27 21.732 9.187 -9.317 1.00148.84 C ATOM 448 CE1 PHE A 27 19.417 8.704 -10.738 1.00 91.85 C ATOM 449 CE2 PHE A 27 20.606 9.954 -9.085 1.00169.43 C ATOM 450 CZ PHE A 27 19.448 9.712 -9.795 1.00 73.18 C ATOM 0 H PHE A 27 23.104 7.465 -13.024 1.00 49.22 H new ATOM 0 HA PHE A 27 24.040 9.133 -10.891 1.00 46.57 H new ATOM 0 HB2 PHE A 27 22.669 6.460 -11.089 1.00 47.23 H new ATOM 0 HB3 PHE A 27 23.340 6.992 -9.560 1.00 47.23 H new ATOM 0 HD1 PHE A 27 20.516 7.151 -11.707 1.00 90.91 H new ATOM 0 HD2 PHE A 27 22.635 9.382 -8.758 1.00148.84 H new ATOM 0 HE1 PHE A 27 18.512 8.514 -11.296 1.00 91.85 H new ATOM 0 HE2 PHE A 27 20.633 10.743 -8.348 1.00169.43 H new ATOM 0 HZ PHE A 27 18.567 10.310 -9.613 1.00 73.18 H new ATOM 460 N ASP A 28 25.956 6.775 -11.939 1.00 48.20 N ATOM 461 CA ASP A 28 27.265 6.145 -11.781 1.00 52.32 C ATOM 462 C ASP A 28 28.364 7.187 -11.926 1.00 58.31 C ATOM 463 O ASP A 28 29.380 7.126 -11.234 1.00 58.86 O ATOM 464 CB ASP A 28 27.457 5.034 -12.817 1.00 60.63 C ATOM 465 CG ASP A 28 28.625 4.126 -12.485 1.00 90.22 C ATOM 466 OD1 ASP A 28 28.913 3.940 -11.285 1.00143.57 O ATOM 467 OD2 ASP A 28 29.250 3.597 -13.430 1.00145.09 O1- ATOM 0 H ASP A 28 25.511 6.603 -12.841 1.00 48.20 H new ATOM 0 HA ASP A 28 27.319 5.704 -10.786 1.00 52.32 H new ATOM 0 HB2 ASP A 28 26.546 4.440 -12.881 1.00 60.63 H new ATOM 0 HB3 ASP A 28 27.616 5.480 -13.799 1.00 60.63 H new ATOM 472 N ARG A 29 28.160 8.138 -12.836 1.00 69.25 N ATOM 473 CA ARG A 29 29.120 9.219 -13.037 1.00 83.67 C ATOM 474 C ARG A 29 29.210 10.052 -11.759 1.00 77.32 C ATOM 475 O ARG A 29 30.290 10.467 -11.339 1.00 85.27 O ATOM 476 CB ARG A 29 28.698 10.096 -14.223 1.00105.83 C ATOM 477 CG ARG A 29 29.682 11.212 -14.543 1.00176.78 C ATOM 478 CD ARG A 29 29.299 11.943 -15.822 1.00290.98 C ATOM 479 NE ARG A 29 29.431 11.090 -17.001 1.00325.38 N ATOM 480 CZ ARG A 29 29.097 11.475 -18.230 1.00514.29 C ATOM 481 NH1 ARG A 29 28.618 12.694 -18.438 1.00733.68 N1+ ATOM 482 NH2 ARG A 29 29.247 10.639 -19.250 1.00779.77 N ATOM 0 H ARG A 29 27.341 8.181 -13.443 1.00 69.25 H new ATOM 0 HA ARG A 29 30.100 8.797 -13.262 1.00 83.67 H new ATOM 0 HB2 ARG A 29 28.579 9.466 -15.104 1.00105.83 H new ATOM 0 HB3 ARG A 29 27.723 10.534 -14.010 1.00105.83 H new ATOM 0 HG2 ARG A 29 29.714 11.919 -13.714 1.00176.78 H new ATOM 0 HG3 ARG A 29 30.684 10.796 -14.646 1.00176.78 H new ATOM 0 HD2 ARG A 29 28.271 12.296 -15.744 1.00290.98 H new ATOM 0 HD3 ARG A 29 29.931 12.824 -15.939 1.00290.98 H new ATOM 0 HE ARG A 29 29.800 10.147 -16.875 1.00325.38 H new ATOM 0 HH11 ARG A 29 28.505 13.338 -17.655 1.00733.68 H new ATOM 0 HH12 ARG A 29 28.362 12.988 -19.381 1.00733.68 H new ATOM 0 HH21 ARG A 29 29.618 9.702 -19.091 1.00779.77 H new ATOM 0 HH22 ARG A 29 28.991 10.933 -20.193 1.00779.77 H new ATOM 496 N GLY A 30 28.043 10.280 -11.150 1.00 70.34 N ATOM 497 CA GLY A 30 27.961 11.034 -9.910 1.00 72.33 C ATOM 498 C GLY A 30 28.717 10.371 -8.774 1.00 62.03 C ATOM 499 O GLY A 30 29.350 11.050 -7.967 1.00 70.42 O ATOM 0 H GLY A 30 27.144 9.950 -11.502 1.00 70.34 H new ATOM 0 HA2 GLY A 30 28.359 12.036 -10.071 1.00 72.33 H new ATOM 0 HA3 GLY A 30 26.915 11.149 -9.627 1.00 72.33 H new ATOM 503 N LEU A 31 28.673 9.038 -8.728 1.00 51.43 N ATOM 504 CA LEU A 31 29.351 8.271 -7.680 1.00 49.34 C ATOM 505 C LEU A 31 30.848 8.553 -7.673 1.00 53.91 C ATOM 506 O LEU A 31 31.464 8.621 -6.611 1.00 57.97 O ATOM 507 CB LEU A 31 29.127 6.767 -7.877 1.00 49.86 C ATOM 508 CG LEU A 31 27.711 6.262 -7.596 1.00 84.61 C ATOM 509 CD1 LEU A 31 27.559 4.822 -8.063 1.00213.67 C ATOM 510 CD2 LEU A 31 27.387 6.373 -6.112 1.00175.88 C ATOM 0 H LEU A 31 28.173 8.465 -9.407 1.00 51.43 H new ATOM 0 HA LEU A 31 28.926 8.581 -6.725 1.00 49.34 H new ATOM 0 HB2 LEU A 31 29.386 6.512 -8.905 1.00 49.86 H new ATOM 0 HB3 LEU A 31 29.820 6.228 -7.230 1.00 49.86 H new ATOM 0 HG LEU A 31 27.008 6.885 -8.150 1.00 84.61 H new ATOM 0 HD11 LEU A 31 26.546 4.477 -7.856 1.00213.67 H new ATOM 0 HD12 LEU A 31 27.750 4.765 -9.135 1.00213.67 H new ATOM 0 HD13 LEU A 31 28.272 4.191 -7.533 1.00213.67 H new ATOM 0 HD21 LEU A 31 26.375 6.009 -5.932 1.00175.88 H new ATOM 0 HD22 LEU A 31 28.095 5.774 -5.539 1.00175.88 H new ATOM 0 HD23 LEU A 31 27.458 7.415 -5.801 1.00175.88 H new ATOM 522 N VAL A 32 31.417 8.735 -8.861 1.00 60.45 N ATOM 523 CA VAL A 32 32.845 9.001 -9.005 1.00 75.53 C ATOM 524 C VAL A 32 33.251 10.276 -8.254 1.00 82.56 C ATOM 525 O VAL A 32 34.294 10.308 -7.597 1.00 89.50 O ATOM 526 CB VAL A 32 33.235 9.129 -10.497 1.00 97.76 C ATOM 527 CG1 VAL A 32 34.674 9.604 -10.658 1.00275.82 C ATOM 528 CG2 VAL A 32 33.024 7.803 -11.216 1.00173.47 C ATOM 0 H VAL A 32 30.907 8.703 -9.744 1.00 60.45 H new ATOM 0 HA VAL A 32 33.379 8.156 -8.570 1.00 75.53 H new ATOM 0 HB VAL A 32 32.587 9.880 -10.949 1.00 97.76 H new ATOM 0 HG11 VAL A 32 34.915 9.683 -11.718 1.00275.82 H new ATOM 0 HG12 VAL A 32 34.790 10.580 -10.186 1.00275.82 H new ATOM 0 HG13 VAL A 32 35.348 8.890 -10.185 1.00275.82 H new ATOM 0 HG21 VAL A 32 33.303 7.909 -12.264 1.00173.47 H new ATOM 0 HG22 VAL A 32 33.643 7.035 -10.752 1.00173.47 H new ATOM 0 HG23 VAL A 32 31.975 7.514 -11.147 1.00173.47 H new ATOM 538 N LYS A 33 32.422 11.317 -8.345 1.00 88.78 N ATOM 539 CA LYS A 33 32.710 12.586 -7.673 1.00105.88 C ATOM 540 C LYS A 33 32.784 12.409 -6.154 1.00 97.11 C ATOM 541 O LYS A 33 33.667 12.968 -5.501 1.00110.76 O ATOM 542 CB LYS A 33 31.642 13.625 -8.023 1.00123.44 C ATOM 543 CG LYS A 33 31.697 14.094 -9.468 1.00171.90 C ATOM 544 CD LYS A 33 30.616 15.123 -9.761 1.00268.72 C ATOM 545 CE LYS A 33 30.677 15.597 -11.204 1.00399.61 C ATOM 546 NZ LYS A 33 29.619 16.600 -11.506 1.00545.00 N1+ ATOM 0 H LYS A 33 31.550 11.308 -8.874 1.00 88.78 H new ATOM 0 HA LYS A 33 33.682 12.934 -8.023 1.00105.88 H new ATOM 0 HB2 LYS A 33 30.657 13.202 -7.825 1.00123.44 H new ATOM 0 HB3 LYS A 33 31.757 14.487 -7.366 1.00123.44 H new ATOM 0 HG2 LYS A 33 32.677 14.525 -9.675 1.00171.90 H new ATOM 0 HG3 LYS A 33 31.578 13.239 -10.134 1.00171.90 H new ATOM 0 HD2 LYS A 33 29.636 14.690 -9.560 1.00268.72 H new ATOM 0 HD3 LYS A 33 30.732 15.975 -9.091 1.00268.72 H new ATOM 0 HE2 LYS A 33 31.657 16.032 -11.402 1.00399.61 H new ATOM 0 HE3 LYS A 33 30.568 14.742 -11.871 1.00399.61 H new ATOM 0 HZ1 LYS A 33 29.696 16.897 -12.500 1.00545.00 H new ATOM 0 HZ2 LYS A 33 28.683 16.177 -11.342 1.00545.00 H new ATOM 0 HZ3 LYS A 33 29.738 17.427 -10.887 1.00545.00 H new ATOM 560 N TRP A 34 31.856 11.634 -5.592 1.00 83.08 N ATOM 561 CA TRP A 34 31.848 11.376 -4.151 1.00 84.80 C ATOM 562 C TRP A 34 32.977 10.422 -3.759 1.00 77.06 C ATOM 563 O TRP A 34 33.517 10.511 -2.654 1.00 88.78 O ATOM 564 CB TRP A 34 30.489 10.843 -3.680 1.00 87.86 C ATOM 565 CG TRP A 34 29.496 11.933 -3.382 1.00139.00 C ATOM 566 CD1 TRP A 34 29.203 12.459 -2.150 1.00136.46 C ATOM 567 CD2 TRP A 34 28.665 12.634 -4.319 1.00409.53 C ATOM 568 NE1 TRP A 34 28.251 13.442 -2.273 1.00289.99 N ATOM 569 CE2 TRP A 34 27.905 13.566 -3.590 1.00536.36 C ATOM 570 CE3 TRP A 34 28.492 12.568 -5.702 1.00753.70 C ATOM 571 CZ2 TRP A 34 26.990 14.422 -4.197 1.00999.99 C ATOM 572 CZ3 TRP A 34 27.583 13.416 -6.304 1.00999.99 C ATOM 573 CH2 TRP A 34 26.842 14.333 -5.552 1.00999.99 C ATOM 0 H TRP A 34 31.105 11.176 -6.108 1.00 83.08 H new ATOM 0 HA TRP A 34 32.018 12.328 -3.647 1.00 84.80 H new ATOM 0 HB2 TRP A 34 30.078 10.186 -4.447 1.00 87.86 H new ATOM 0 HB3 TRP A 34 30.634 10.238 -2.785 1.00 87.86 H new ATOM 0 HD1 TRP A 34 29.654 12.147 -1.220 1.00136.46 H new ATOM 0 HE1 TRP A 34 27.864 13.991 -1.505 1.00289.99 H new ATOM 0 HE3 TRP A 34 29.060 11.865 -6.293 1.00753.70 H new ATOM 0 HZ2 TRP A 34 26.418 15.131 -3.617 1.00999.99 H new ATOM 0 HZ3 TRP A 34 27.442 13.370 -7.374 1.00999.99 H new ATOM 0 HH2 TRP A 34 26.139 14.983 -6.052 1.00999.99 H new ATOM 584 N LEU A 35 33.325 9.507 -4.667 1.00 67.65 N ATOM 585 CA LEU A 35 34.404 8.548 -4.427 1.00 72.29 C ATOM 586 C LEU A 35 35.740 9.266 -4.248 1.00 90.96 C ATOM 587 O LEU A 35 36.582 8.845 -3.460 1.00102.65 O ATOM 588 CB LEU A 35 34.510 7.530 -5.568 1.00 75.67 C ATOM 589 CG LEU A 35 33.363 6.520 -5.653 1.00107.58 C ATOM 590 CD1 LEU A 35 33.463 5.707 -6.937 1.00205.93 C ATOM 591 CD2 LEU A 35 33.363 5.602 -4.438 1.00169.22 C ATOM 0 H LEU A 35 32.874 9.411 -5.577 1.00 67.65 H new ATOM 0 HA LEU A 35 34.164 8.012 -3.508 1.00 72.29 H new ATOM 0 HB2 LEU A 35 34.566 8.072 -6.512 1.00 75.67 H new ATOM 0 HB3 LEU A 35 35.446 6.983 -5.459 1.00 75.67 H new ATOM 0 HG LEU A 35 32.422 7.070 -5.665 1.00107.58 H new ATOM 0 HD11 LEU A 35 32.640 4.994 -6.981 1.00205.93 H new ATOM 0 HD12 LEU A 35 33.410 6.376 -7.796 1.00205.93 H new ATOM 0 HD13 LEU A 35 34.411 5.169 -6.954 1.00205.93 H new ATOM 0 HD21 LEU A 35 32.540 4.892 -4.518 1.00169.22 H new ATOM 0 HD22 LEU A 35 34.307 5.059 -4.392 1.00169.22 H new ATOM 0 HD23 LEU A 35 33.242 6.197 -3.533 1.00169.22 H new ATOM 603 N ARG A 36 35.941 10.330 -5.009 1.00104.16 N ATOM 604 CA ARG A 36 37.169 11.111 -4.918 1.00135.85 C ATOM 605 C ARG A 36 37.325 11.746 -3.535 1.00142.78 C ATOM 606 O ARG A 36 38.433 11.841 -3.009 1.00164.88 O ATOM 607 CB ARG A 36 37.190 12.198 -5.996 1.00166.93 C ATOM 608 CG ARG A 36 37.341 11.656 -7.409 1.00178.27 C ATOM 609 CD ARG A 36 37.302 12.770 -8.444 1.00195.26 C ATOM 610 NE ARG A 36 38.420 13.702 -8.296 1.00253.66 N ATOM 611 CZ ARG A 36 39.639 13.486 -8.791 1.00294.34 C ATOM 612 NH1 ARG A 36 39.895 12.373 -9.468 1.00307.82 N1+ ATOM 613 NH2 ARG A 36 40.598 14.383 -8.609 1.00557.46 N ATOM 0 H ARG A 36 35.271 10.674 -5.697 1.00104.16 H new ATOM 0 HA ARG A 36 38.006 10.432 -5.077 1.00135.85 H new ATOM 0 HB2 ARG A 36 36.268 12.776 -5.935 1.00166.93 H new ATOM 0 HB3 ARG A 36 38.011 12.885 -5.790 1.00166.93 H new ATOM 0 HG2 ARG A 36 38.283 11.114 -7.493 1.00178.27 H new ATOM 0 HG3 ARG A 36 36.543 10.942 -7.612 1.00178.27 H new ATOM 0 HD2 ARG A 36 37.323 12.336 -9.444 1.00195.26 H new ATOM 0 HD3 ARG A 36 36.362 13.315 -8.353 1.00195.26 H new ATOM 0 HE ARG A 36 38.257 14.569 -7.784 1.00253.66 H new ATOM 0 HH11 ARG A 36 39.159 11.682 -9.610 1.00307.82 H new ATOM 0 HH12 ARG A 36 40.828 12.209 -9.846 1.00307.82 H new ATOM 0 HH21 ARG A 36 40.404 15.239 -8.090 1.00557.46 H new ATOM 0 HH22 ARG A 36 41.530 14.217 -8.988 1.00557.46 H new ATOM 627 N VAL A 37 36.210 12.188 -2.952 1.00136.12 N ATOM 628 CA VAL A 37 36.234 12.844 -1.644 1.00154.88 C ATOM 629 C VAL A 37 36.135 11.861 -0.465 1.00143.45 C ATOM 630 O VAL A 37 36.962 11.902 0.446 1.00169.85 O ATOM 631 CB VAL A 37 35.092 13.880 -1.530 1.00178.07 C ATOM 632 CG1 VAL A 37 35.143 14.609 -0.194 1.00242.50 C ATOM 633 CG2 VAL A 37 35.147 14.869 -2.686 1.00284.57 C ATOM 0 H VAL A 37 35.281 12.104 -3.364 1.00136.12 H new ATOM 0 HA VAL A 37 37.204 13.338 -1.581 1.00154.88 H new ATOM 0 HB VAL A 37 34.145 13.343 -1.582 1.00178.07 H new ATOM 0 HG11 VAL A 37 34.328 15.331 -0.142 1.00242.50 H new ATOM 0 HG12 VAL A 37 35.042 13.889 0.618 1.00242.50 H new ATOM 0 HG13 VAL A 37 36.096 15.130 -0.100 1.00242.50 H new ATOM 0 HG21 VAL A 37 34.335 15.590 -2.587 1.00284.57 H new ATOM 0 HG22 VAL A 37 36.102 15.394 -2.670 1.00284.57 H new ATOM 0 HG23 VAL A 37 35.043 14.332 -3.629 1.00284.57 H new ATOM 643 N HIS A 38 35.134 10.978 -0.474 1.00121.32 N ATOM 644 CA HIS A 38 34.948 10.038 0.641 1.00129.78 C ATOM 645 C HIS A 38 35.293 8.595 0.269 1.00120.66 C ATOM 646 O HIS A 38 35.570 7.777 1.147 1.00116.64 O ATOM 647 CB HIS A 38 33.500 10.091 1.147 1.00157.70 C ATOM 648 CG HIS A 38 33.079 11.440 1.652 1.00198.72 C ATOM 649 ND1 HIS A 38 33.562 12.013 2.808 1.00348.77 N ATOM 650 CD2 HIS A 38 32.194 12.328 1.135 1.00293.18 C ATOM 651 CE1 HIS A 38 32.966 13.204 2.954 1.00350.44 C ATOM 652 NE2 HIS A 38 32.129 13.444 1.964 1.00300.00 N ATOM 0 H HIS A 38 34.449 10.892 -1.225 1.00121.32 H new ATOM 0 HA HIS A 38 35.638 10.352 1.424 1.00129.78 H new ATOM 0 HB2 HIS A 38 32.832 9.792 0.339 1.00157.70 H new ATOM 0 HB3 HIS A 38 33.379 9.361 1.947 1.00157.70 H new ATOM 0 HD2 HIS A 38 31.629 12.191 0.225 1.00293.18 H new ATOM 0 HE1 HIS A 38 33.148 13.880 3.776 1.00350.44 H new ATOM 0 HE2 HIS A 38 31.553 14.276 1.833 1.00300.00 H new ATOM 660 N GLY A 39 35.278 8.294 -1.022 1.00146.01 N ATOM 661 CA GLY A 39 35.580 6.944 -1.488 1.00174.62 C ATOM 662 C GLY A 39 36.966 6.470 -1.097 1.00178.59 C ATOM 663 O GLY A 39 37.153 5.298 -0.774 1.00199.70 O ATOM 0 H GLY A 39 35.062 8.961 -1.763 1.00146.01 H new ATOM 0 HA2 GLY A 39 34.840 6.254 -1.083 1.00174.62 H new ATOM 0 HA3 GLY A 39 35.486 6.912 -2.573 1.00174.62 H new ATOM 667 N ARG A 40 37.938 7.377 -1.134 1.00182.39 N ATOM 668 CA ARG A 40 39.318 7.048 -0.780 1.00216.75 C ATOM 669 C ARG A 40 39.442 6.582 0.677 1.00196.87 C ATOM 670 O ARG A 40 40.418 5.928 1.042 1.00235.83 O ATOM 671 CB ARG A 40 40.233 8.253 -1.028 1.00256.63 C ATOM 672 CG ARG A 40 39.924 9.457 -0.151 1.00454.12 C ATOM 673 CD ARG A 40 40.708 10.684 -0.589 1.00632.70 C ATOM 674 NE ARG A 40 42.151 10.498 -0.441 1.00929.04 N ATOM 675 CZ ARG A 40 42.822 10.768 0.678 1.00999.99 C ATOM 676 NH1 ARG A 40 42.184 11.239 1.742 1.00999.99 N1+ ATOM 677 NH2 ARG A 40 44.133 10.569 0.727 1.00999.99 N ATOM 0 H ARG A 40 37.796 8.350 -1.406 1.00182.39 H new ATOM 0 HA ARG A 40 39.629 6.221 -1.418 1.00216.75 H new ATOM 0 HB2 ARG A 40 41.267 7.951 -0.861 1.00256.63 H new ATOM 0 HB3 ARG A 40 40.152 8.548 -2.074 1.00256.63 H new ATOM 0 HG2 ARG A 40 38.856 9.673 -0.192 1.00454.12 H new ATOM 0 HG3 ARG A 40 40.163 9.223 0.886 1.00454.12 H new ATOM 0 HD2 ARG A 40 40.477 10.908 -1.630 1.00632.70 H new ATOM 0 HD3 ARG A 40 40.392 11.545 0.000 1.00632.70 H new ATOM 0 HE ARG A 40 42.674 10.141 -1.241 1.00929.04 H new ATOM 0 HH11 ARG A 40 41.177 11.395 1.705 1.00999.99 H new ATOM 0 HH12 ARG A 40 42.701 11.445 2.597 1.00999.99 H new ATOM 0 HH21 ARG A 40 44.625 10.210 -0.091 1.00999.99 H new ATOM 0 HH22 ARG A 40 44.648 10.775 1.583 1.00999.99 H new ATOM 691 N THR A 41 38.458 6.924 1.507 1.00164.55 N ATOM 692 CA THR A 41 38.483 6.531 2.912 1.00180.03 C ATOM 693 C THR A 41 37.496 5.401 3.208 1.00143.11 C ATOM 694 O THR A 41 37.438 4.896 4.329 1.00157.45 O ATOM 695 CB THR A 41 38.185 7.726 3.841 1.00225.23 C ATOM 696 OG1 THR A 41 36.908 8.300 3.529 1.00193.89 O ATOM 697 CG2 THR A 41 39.265 8.793 3.719 1.00302.80 C ATOM 0 H THR A 41 37.640 7.468 1.233 1.00164.55 H new ATOM 0 HA THR A 41 39.493 6.171 3.109 1.00180.03 H new ATOM 0 HB THR A 41 38.171 7.355 4.866 1.00225.23 H new ATOM 0 HG1 THR A 41 36.543 7.870 2.727 1.00193.89 H new ATOM 0 HG21 THR A 41 39.032 9.625 4.384 1.00302.80 H new ATOM 0 HG22 THR A 41 40.230 8.367 3.995 1.00302.80 H new ATOM 0 HG23 THR A 41 39.308 9.152 2.691 1.00302.80 H new ATOM 705 N LEU A 42 36.719 5.016 2.201 1.00124.95 N ATOM 706 CA LEU A 42 35.738 3.945 2.360 1.00116.90 C ATOM 707 C LEU A 42 36.408 2.577 2.447 1.00113.15 C ATOM 708 O LEU A 42 37.440 2.334 1.822 1.00123.92 O ATOM 709 CB LEU A 42 34.718 3.946 1.214 1.00142.95 C ATOM 710 CG LEU A 42 33.745 5.127 1.205 1.00251.09 C ATOM 711 CD1 LEU A 42 32.904 5.113 -0.064 1.00184.69 C ATOM 712 CD2 LEU A 42 32.852 5.095 2.437 1.00581.97 C ATOM 0 H LEU A 42 36.748 5.427 1.268 1.00124.95 H new ATOM 0 HA LEU A 42 35.215 4.136 3.297 1.00116.90 H new ATOM 0 HB2 LEU A 42 35.259 3.935 0.268 1.00142.95 H new ATOM 0 HB3 LEU A 42 34.142 3.022 1.262 1.00142.95 H new ATOM 0 HG LEU A 42 34.324 6.050 1.226 1.00251.09 H new ATOM 0 HD11 LEU A 42 32.217 5.959 -0.055 1.00184.69 H new ATOM 0 HD12 LEU A 42 33.557 5.185 -0.934 1.00184.69 H new ATOM 0 HD13 LEU A 42 32.335 4.185 -0.113 1.00184.69 H new ATOM 0 HD21 LEU A 42 32.167 5.943 2.412 1.00581.97 H new ATOM 0 HD22 LEU A 42 32.280 4.167 2.448 1.00581.97 H new ATOM 0 HD23 LEU A 42 33.468 5.152 3.334 1.00581.97 H new ATOM 724 N SER A 43 35.810 1.689 3.234 1.00110.08 N ATOM 725 CA SER A 43 36.324 0.337 3.404 1.00115.78 C ATOM 726 C SER A 43 35.983 -0.525 2.187 1.00104.58 C ATOM 727 O SER A 43 35.121 -0.163 1.385 1.00 88.16 O ATOM 728 CB SER A 43 35.744 -0.291 4.674 1.00123.68 C ATOM 729 OG SER A 43 36.095 0.464 5.820 1.00239.07 O ATOM 0 H SER A 43 34.963 1.885 3.767 1.00110.08 H new ATOM 0 HA SER A 43 37.409 0.389 3.498 1.00115.78 H new ATOM 0 HB2 SER A 43 34.659 -0.350 4.592 1.00123.68 H new ATOM 0 HB3 SER A 43 36.112 -1.312 4.780 1.00123.68 H new ATOM 0 HG SER A 43 35.712 0.044 6.618 1.00239.07 H new ATOM 735 N THR A 44 36.655 -1.670 2.066 1.00124.16 N ATOM 736 CA THR A 44 36.433 -2.586 0.946 1.00127.73 C ATOM 737 C THR A 44 34.979 -3.063 0.905 1.00110.92 C ATOM 738 O THR A 44 34.368 -3.132 -0.163 1.00105.30 O ATOM 739 CB THR A 44 37.376 -3.806 1.040 1.00167.62 C ATOM 740 OG1 THR A 44 38.739 -3.368 1.033 1.00188.24 O ATOM 741 CG2 THR A 44 37.153 -4.770 -0.118 1.00192.01 C ATOM 0 H THR A 44 37.360 -1.986 2.732 1.00124.16 H new ATOM 0 HA THR A 44 36.649 -2.040 0.028 1.00127.73 H new ATOM 0 HB THR A 44 37.156 -4.328 1.971 1.00167.62 H new ATOM 0 HG1 THR A 44 39.333 -4.145 1.095 1.00188.24 H new ATOM 0 HG21 THR A 44 37.832 -5.617 -0.022 1.00192.01 H new ATOM 0 HG22 THR A 44 36.123 -5.127 -0.101 1.00192.01 H new ATOM 0 HG23 THR A 44 37.344 -4.257 -1.061 1.00192.01 H new ATOM 749 N VAL A 45 34.428 -3.376 2.077 1.00112.05 N ATOM 750 CA VAL A 45 33.047 -3.838 2.178 1.00108.03 C ATOM 751 C VAL A 45 32.078 -2.723 1.774 1.00 83.86 C ATOM 752 O VAL A 45 31.110 -2.963 1.050 1.00 73.11 O ATOM 753 CB VAL A 45 32.725 -4.312 3.615 1.00130.87 C ATOM 754 CG1 VAL A 45 31.239 -4.604 3.784 1.00278.45 C ATOM 755 CG2 VAL A 45 33.555 -5.538 3.969 1.00128.50 C ATOM 0 H VAL A 45 34.918 -3.318 2.970 1.00112.05 H new ATOM 0 HA VAL A 45 32.927 -4.681 1.498 1.00108.03 H new ATOM 0 HB VAL A 45 32.984 -3.504 4.300 1.00130.87 H new ATOM 0 HG11 VAL A 45 31.047 -4.935 4.805 1.00278.45 H new ATOM 0 HG12 VAL A 45 30.665 -3.700 3.582 1.00278.45 H new ATOM 0 HG13 VAL A 45 30.940 -5.387 3.087 1.00278.45 H new ATOM 0 HG21 VAL A 45 33.316 -5.859 4.983 1.00128.50 H new ATOM 0 HG22 VAL A 45 33.329 -6.344 3.271 1.00128.50 H new ATOM 0 HG23 VAL A 45 34.615 -5.290 3.907 1.00128.50 H new ATOM 765 N GLN A 46 32.361 -1.504 2.234 1.00 84.69 N ATOM 766 CA GLN A 46 31.522 -0.348 1.919 1.00 73.08 C ATOM 767 C GLN A 46 31.521 -0.060 0.420 1.00 62.50 C ATOM 768 O GLN A 46 30.484 0.270 -0.153 1.00 57.12 O ATOM 769 CB GLN A 46 32.011 0.887 2.682 1.00 83.39 C ATOM 770 CG GLN A 46 31.765 0.827 4.182 1.00132.44 C ATOM 771 CD GLN A 46 30.292 0.735 4.532 1.00203.35 C ATOM 772 OE1 GLN A 46 29.844 -0.243 5.125 1.00316.42 O ATOM 773 NE2 GLN A 46 29.530 1.759 4.167 1.00302.94 N ATOM 0 H GLN A 46 33.164 -1.292 2.826 1.00 84.69 H new ATOM 0 HA GLN A 46 30.503 -0.582 2.226 1.00 73.08 H new ATOM 0 HB2 GLN A 46 33.079 1.011 2.504 1.00 83.39 H new ATOM 0 HB3 GLN A 46 31.516 1.770 2.278 1.00 83.39 H new ATOM 0 HG2 GLN A 46 32.287 -0.035 4.597 1.00132.44 H new ATOM 0 HG3 GLN A 46 32.191 1.714 4.651 1.00132.44 H new ATOM 0 HE21 GLN A 46 29.943 2.552 3.676 1.00302.94 H new ATOM 0 HE22 GLN A 46 28.532 1.753 4.378 1.00302.94 H new ATOM 782 N LYS A 47 32.692 -0.182 -0.205 1.00 68.99 N ATOM 783 CA LYS A 47 32.827 0.060 -1.640 1.00 69.16 C ATOM 784 C LYS A 47 31.961 -0.916 -2.439 1.00 64.72 C ATOM 785 O LYS A 47 31.248 -0.515 -3.360 1.00 64.19 O ATOM 786 CB LYS A 47 34.297 -0.071 -2.058 1.00 90.60 C ATOM 787 CG LYS A 47 34.550 0.195 -3.537 1.00150.76 C ATOM 788 CD LYS A 47 34.284 1.648 -3.900 1.00204.08 C ATOM 789 CE LYS A 47 34.761 1.967 -5.307 1.00309.70 C ATOM 790 NZ LYS A 47 34.020 1.187 -6.335 1.00470.35 N1+ ATOM 0 H LYS A 47 33.560 -0.447 0.260 1.00 68.99 H new ATOM 0 HA LYS A 47 32.485 1.073 -1.853 1.00 69.16 H new ATOM 0 HB2 LYS A 47 34.895 0.624 -1.468 1.00 90.60 H new ATOM 0 HB3 LYS A 47 34.644 -1.076 -1.816 1.00 90.60 H new ATOM 0 HG2 LYS A 47 35.582 -0.058 -3.781 1.00150.76 H new ATOM 0 HG3 LYS A 47 33.912 -0.453 -4.138 1.00150.76 H new ATOM 0 HD2 LYS A 47 33.217 1.854 -3.821 1.00204.08 H new ATOM 0 HD3 LYS A 47 34.788 2.300 -3.187 1.00204.08 H new ATOM 0 HE2 LYS A 47 34.636 3.032 -5.500 1.00309.70 H new ATOM 0 HE3 LYS A 47 35.827 1.752 -5.386 1.00309.70 H new ATOM 0 HZ1 LYS A 47 34.328 1.483 -7.283 1.00470.35 H new ATOM 0 HZ2 LYS A 47 34.214 0.173 -6.208 1.00470.35 H new ATOM 0 HZ3 LYS A 47 32.999 1.359 -6.233 1.00470.35 H new ATOM 804 N LYS A 48 32.032 -2.198 -2.081 1.00 67.82 N ATOM 805 CA LYS A 48 31.245 -3.231 -2.753 1.00 69.90 C ATOM 806 C LYS A 48 29.749 -3.029 -2.513 1.00 62.02 C ATOM 807 O LYS A 48 28.932 -3.214 -3.416 1.00 68.08 O ATOM 808 CB LYS A 48 31.671 -4.622 -2.274 1.00 78.57 C ATOM 809 CG LYS A 48 33.063 -5.025 -2.735 1.00114.97 C ATOM 810 CD LYS A 48 33.440 -6.409 -2.234 1.00200.36 C ATOM 811 CE LYS A 48 34.840 -6.801 -2.679 1.00259.67 C ATOM 812 NZ LYS A 48 34.949 -6.886 -4.163 1.00369.78 N1+ ATOM 0 H LYS A 48 32.627 -2.546 -1.329 1.00 67.82 H new ATOM 0 HA LYS A 48 31.432 -3.151 -3.824 1.00 69.90 H new ATOM 0 HB2 LYS A 48 31.636 -4.648 -1.185 1.00 78.57 H new ATOM 0 HB3 LYS A 48 30.951 -5.357 -2.634 1.00 78.57 H new ATOM 0 HG2 LYS A 48 33.105 -5.008 -3.824 1.00114.97 H new ATOM 0 HG3 LYS A 48 33.791 -4.297 -2.376 1.00114.97 H new ATOM 0 HD2 LYS A 48 33.384 -6.431 -1.146 1.00200.36 H new ATOM 0 HD3 LYS A 48 32.721 -7.140 -2.605 1.00200.36 H new ATOM 0 HE2 LYS A 48 35.558 -6.071 -2.304 1.00259.67 H new ATOM 0 HE3 LYS A 48 35.104 -7.763 -2.240 1.00259.67 H new ATOM 0 HZ1 LYS A 48 35.845 -7.347 -4.419 1.00369.78 H new ATOM 0 HZ2 LYS A 48 34.154 -7.442 -4.538 1.00369.78 H new ATOM 0 HZ3 LYS A 48 34.924 -5.929 -4.568 1.00369.78 H new ATOM 826 N ALA A 49 29.407 -2.645 -1.283 1.00 57.48 N ATOM 827 CA ALA A 49 28.018 -2.407 -0.892 1.00 60.42 C ATOM 828 C ALA A 49 27.382 -1.281 -1.705 1.00 61.38 C ATOM 829 O ALA A 49 26.198 -1.343 -2.041 1.00 66.37 O ATOM 830 CB ALA A 49 27.934 -2.094 0.595 1.00 66.79 C ATOM 0 H ALA A 49 30.081 -2.491 -0.533 1.00 57.48 H new ATOM 0 HA ALA A 49 27.459 -3.319 -1.100 1.00 60.42 H new ATOM 0 HB1 ALA A 49 26.894 -1.919 0.872 1.00 66.79 H new ATOM 0 HB2 ALA A 49 28.325 -2.936 1.167 1.00 66.79 H new ATOM 0 HB3 ALA A 49 28.522 -1.203 0.813 1.00 66.79 H new ATOM 836 N LEU A 50 28.176 -0.250 -2.002 1.00 62.68 N ATOM 837 CA LEU A 50 27.707 0.914 -2.761 1.00 69.31 C ATOM 838 C LEU A 50 27.056 0.530 -4.093 1.00 70.74 C ATOM 839 O LEU A 50 26.141 1.217 -4.552 1.00 73.63 O ATOM 840 CB LEU A 50 28.864 1.887 -3.015 1.00 82.39 C ATOM 841 CG LEU A 50 28.808 3.197 -2.217 1.00116.72 C ATOM 842 CD1 LEU A 50 27.657 4.069 -2.696 1.00238.30 C ATOM 843 CD2 LEU A 50 28.681 2.921 -0.725 1.00212.40 C ATOM 0 H LEU A 50 29.156 -0.197 -1.726 1.00 62.68 H new ATOM 0 HA LEU A 50 26.943 1.396 -2.152 1.00 69.31 H new ATOM 0 HB2 LEU A 50 29.801 1.380 -2.784 1.00 82.39 H new ATOM 0 HB3 LEU A 50 28.887 2.129 -4.078 1.00 82.39 H new ATOM 0 HG LEU A 50 29.742 3.733 -2.386 1.00116.72 H new ATOM 0 HD11 LEU A 50 27.635 4.993 -2.118 1.00238.30 H new ATOM 0 HD12 LEU A 50 27.794 4.305 -3.751 1.00238.30 H new ATOM 0 HD13 LEU A 50 26.716 3.535 -2.563 1.00238.30 H new ATOM 0 HD21 LEU A 50 28.643 3.865 -0.182 1.00212.40 H new ATOM 0 HD22 LEU A 50 27.768 2.357 -0.536 1.00212.40 H new ATOM 0 HD23 LEU A 50 29.541 2.343 -0.387 1.00212.40 H new ATOM 855 N TYR A 51 27.522 -0.553 -4.716 1.00 75.10 N ATOM 856 CA TYR A 51 26.951 -0.996 -5.989 1.00 85.35 C ATOM 857 C TYR A 51 25.482 -1.384 -5.818 1.00 79.83 C ATOM 858 O TYR A 51 24.640 -1.050 -6.653 1.00 87.67 O ATOM 859 CB TYR A 51 27.738 -2.182 -6.553 1.00 99.89 C ATOM 860 CG TYR A 51 29.107 -1.815 -7.081 1.00148.88 C ATOM 861 CD1 TYR A 51 30.231 -1.895 -6.269 1.00210.99 C ATOM 862 CD2 TYR A 51 29.275 -1.388 -8.392 1.00198.78 C ATOM 863 CE1 TYR A 51 31.483 -1.561 -6.747 1.00319.60 C ATOM 864 CE2 TYR A 51 30.525 -1.054 -8.879 1.00303.12 C ATOM 865 CZ TYR A 51 31.625 -1.142 -8.053 1.00362.33 C ATOM 866 OH TYR A 51 32.870 -0.810 -8.534 1.00526.93 O ATOM 0 H TYR A 51 28.284 -1.134 -4.366 1.00 75.10 H new ATOM 0 HA TYR A 51 27.016 -0.165 -6.691 1.00 85.35 H new ATOM 0 HB2 TYR A 51 27.850 -2.935 -5.773 1.00 99.89 H new ATOM 0 HB3 TYR A 51 27.160 -2.639 -7.356 1.00 99.89 H new ATOM 0 HD1 TYR A 51 30.124 -2.224 -5.246 1.00210.99 H new ATOM 0 HD2 TYR A 51 28.415 -1.316 -9.041 1.00198.78 H new ATOM 0 HE1 TYR A 51 32.346 -1.628 -6.101 1.00319.60 H new ATOM 0 HE2 TYR A 51 30.639 -0.726 -9.902 1.00303.12 H new ATOM 0 HH TYR A 51 32.796 -0.536 -9.472 1.00526.93 H new ATOM 876 N PHE A 52 25.187 -2.098 -4.734 1.00 73.80 N ATOM 877 CA PHE A 52 23.820 -2.508 -4.428 1.00 78.52 C ATOM 878 C PHE A 52 22.998 -1.293 -4.003 1.00 77.09 C ATOM 879 O PHE A 52 21.827 -1.155 -4.366 1.00 86.78 O ATOM 880 CB PHE A 52 23.809 -3.576 -3.329 1.00 81.58 C ATOM 881 CG PHE A 52 22.465 -4.223 -3.128 1.00 88.24 C ATOM 882 CD1 PHE A 52 22.060 -5.272 -3.937 1.00 96.73 C ATOM 883 CD2 PHE A 52 21.607 -3.781 -2.131 1.00114.33 C ATOM 884 CE1 PHE A 52 20.827 -5.870 -3.758 1.00134.05 C ATOM 885 CE2 PHE A 52 20.373 -4.375 -1.948 1.00151.49 C ATOM 886 CZ PHE A 52 19.983 -5.420 -2.762 1.00162.88 C ATOM 0 H PHE A 52 25.880 -2.405 -4.051 1.00 73.80 H new ATOM 0 HA PHE A 52 23.374 -2.941 -5.324 1.00 78.52 H new ATOM 0 HB2 PHE A 52 24.540 -4.346 -3.576 1.00 81.58 H new ATOM 0 HB3 PHE A 52 24.128 -3.122 -2.391 1.00 81.58 H new ATOM 0 HD1 PHE A 52 22.716 -5.627 -4.718 1.00 96.73 H new ATOM 0 HD2 PHE A 52 21.907 -2.964 -1.491 1.00114.33 H new ATOM 0 HE1 PHE A 52 20.524 -6.687 -4.396 1.00134.05 H new ATOM 0 HE2 PHE A 52 19.714 -4.022 -1.169 1.00151.49 H new ATOM 0 HZ PHE A 52 19.019 -5.885 -2.620 1.00162.88 H new ATOM 896 N VAL A 53 23.639 -0.414 -3.232 1.00 72.38 N ATOM 897 CA VAL A 53 23.007 0.804 -2.730 1.00 78.11 C ATOM 898 C VAL A 53 22.549 1.702 -3.878 1.00 78.26 C ATOM 899 O VAL A 53 21.462 2.274 -3.822 1.00 82.85 O ATOM 900 CB VAL A 53 23.967 1.594 -1.807 1.00 88.71 C ATOM 901 CG1 VAL A 53 23.397 2.964 -1.460 1.00139.01 C ATOM 902 CG2 VAL A 53 24.263 0.803 -0.542 1.00 99.39 C ATOM 0 H VAL A 53 24.609 -0.527 -2.939 1.00 72.38 H new ATOM 0 HA VAL A 53 22.135 0.498 -2.152 1.00 78.11 H new ATOM 0 HB VAL A 53 24.901 1.747 -2.348 1.00 88.71 H new ATOM 0 HG11 VAL A 53 24.094 3.494 -0.811 1.00139.01 H new ATOM 0 HG12 VAL A 53 23.245 3.537 -2.375 1.00139.01 H new ATOM 0 HG13 VAL A 53 22.444 2.842 -0.946 1.00139.01 H new ATOM 0 HG21 VAL A 53 24.939 1.374 0.094 1.00 99.39 H new ATOM 0 HG22 VAL A 53 23.333 0.613 -0.006 1.00 99.39 H new ATOM 0 HG23 VAL A 53 24.729 -0.146 -0.807 1.00 99.39 H new ATOM 912 N ASN A 54 23.378 1.822 -4.914 1.00 78.13 N ATOM 913 CA ASN A 54 23.042 2.655 -6.070 1.00 83.25 C ATOM 914 C ASN A 54 21.740 2.188 -6.719 1.00 84.63 C ATOM 915 O ASN A 54 20.875 3.005 -7.046 1.00 86.92 O ATOM 916 CB ASN A 54 24.184 2.624 -7.092 1.00 91.85 C ATOM 917 CG ASN A 54 23.897 3.473 -8.316 1.00 96.19 C ATOM 918 OD1 ASN A 54 23.524 2.959 -9.367 1.00198.61 O ATOM 919 ND2 ASN A 54 24.072 4.781 -8.184 1.00192.41 N ATOM 0 H ASN A 54 24.283 1.356 -4.978 1.00 78.13 H new ATOM 0 HA ASN A 54 22.902 3.679 -5.725 1.00 83.25 H new ATOM 0 HB2 ASN A 54 25.100 2.976 -6.618 1.00 91.85 H new ATOM 0 HB3 ASN A 54 24.361 1.594 -7.402 1.00 91.85 H new ATOM 0 HD21 ASN A 54 23.895 5.401 -8.974 1.00192.41 H new ATOM 0 HD22 ASN A 54 24.383 5.166 -7.292 1.00192.41 H new ATOM 926 N ARG A 55 21.602 0.875 -6.901 1.00 88.50 N ATOM 927 CA ARG A 55 20.390 0.308 -7.488 1.00 98.75 C ATOM 928 C ARG A 55 19.185 0.542 -6.575 1.00 97.79 C ATOM 929 O ARG A 55 18.096 0.878 -7.043 1.00101.21 O ATOM 930 CB ARG A 55 20.580 -1.188 -7.747 1.00116.41 C ATOM 931 CG ARG A 55 21.523 -1.487 -8.902 1.00288.25 C ATOM 932 CD ARG A 55 21.922 -2.954 -8.932 1.00341.30 C ATOM 933 NE ARG A 55 22.693 -3.292 -10.129 1.00604.73 N ATOM 934 CZ ARG A 55 23.988 -3.020 -10.286 1.00899.45 C ATOM 935 NH1 ARG A 55 24.655 -2.360 -9.346 1.00985.87 N1+ ATOM 936 NH2 ARG A 55 24.614 -3.401 -11.393 1.00999.99 N ATOM 0 H ARG A 55 22.312 0.187 -6.651 1.00 88.50 H new ATOM 0 HA ARG A 55 20.200 0.808 -8.438 1.00 98.75 H new ATOM 0 HB2 ARG A 55 20.964 -1.660 -6.843 1.00116.41 H new ATOM 0 HB3 ARG A 55 19.610 -1.639 -7.954 1.00116.41 H new ATOM 0 HG2 ARG A 55 21.042 -1.221 -9.843 1.00288.25 H new ATOM 0 HG3 ARG A 55 22.416 -0.868 -8.813 1.00288.25 H new ATOM 0 HD2 ARG A 55 22.511 -3.187 -8.045 1.00341.30 H new ATOM 0 HD3 ARG A 55 21.026 -3.574 -8.892 1.00341.30 H new ATOM 0 HE ARG A 55 22.208 -3.766 -10.891 1.00604.73 H new ATOM 0 HH11 ARG A 55 24.176 -2.058 -8.498 1.00985.87 H new ATOM 0 HH12 ARG A 55 25.646 -2.155 -9.473 1.00985.87 H new ATOM 0 HH21 ARG A 55 24.104 -3.901 -12.121 1.00999.99 H new ATOM 0 HH22 ARG A 55 25.605 -3.194 -11.515 1.00999.99 H new ATOM 950 N ARG A 56 19.396 0.365 -5.269 1.00 98.41 N ATOM 951 CA ARG A 56 18.345 0.577 -4.271 1.00106.42 C ATOM 952 C ARG A 56 17.915 2.043 -4.259 1.00100.09 C ATOM 953 O ARG A 56 16.729 2.361 -4.150 1.00108.57 O ATOM 954 CB ARG A 56 18.842 0.152 -2.884 1.00116.55 C ATOM 955 CG ARG A 56 17.788 0.262 -1.791 1.00185.66 C ATOM 956 CD ARG A 56 18.322 -0.223 -0.453 1.00266.48 C ATOM 957 NE ARG A 56 17.323 -0.110 0.607 1.00347.92 N ATOM 958 CZ ARG A 56 17.540 -0.473 1.868 1.00504.69 C ATOM 959 NH1 ARG A 56 18.718 -0.971 2.224 1.00659.58 N1+ ATOM 960 NH2 ARG A 56 16.577 -0.339 2.771 1.00799.65 N ATOM 0 H ARG A 56 20.291 0.074 -4.876 1.00 98.41 H new ATOM 0 HA ARG A 56 17.481 -0.034 -4.533 1.00106.42 H new ATOM 0 HB2 ARG A 56 19.193 -0.879 -2.935 1.00116.55 H new ATOM 0 HB3 ARG A 56 19.699 0.767 -2.612 1.00116.55 H new ATOM 0 HG2 ARG A 56 17.463 1.298 -1.700 1.00185.66 H new ATOM 0 HG3 ARG A 56 16.912 -0.324 -2.068 1.00185.66 H new ATOM 0 HD2 ARG A 56 18.639 -1.262 -0.544 1.00266.48 H new ATOM 0 HD3 ARG A 56 19.205 0.357 -0.183 1.00266.48 H new ATOM 0 HE ARG A 56 16.407 0.269 0.366 1.00347.92 H new ATOM 0 HH11 ARG A 56 19.458 -1.076 1.530 1.00659.58 H new ATOM 0 HH12 ARG A 56 18.883 -1.249 3.191 1.00659.58 H new ATOM 0 HH21 ARG A 56 15.671 0.042 2.498 1.00799.65 H new ATOM 0 HH22 ARG A 56 16.743 -0.617 3.738 1.00799.65 H new ATOM 974 N TYR A 57 18.906 2.928 -4.370 1.00 92.07 N ATOM 975 CA TYR A 57 18.687 4.371 -4.389 1.00 93.10 C ATOM 976 C TYR A 57 17.772 4.755 -5.551 1.00 88.78 C ATOM 977 O TYR A 57 16.805 5.503 -5.376 1.00 94.67 O ATOM 978 CB TYR A 57 20.048 5.074 -4.522 1.00 97.74 C ATOM 979 CG TYR A 57 19.992 6.584 -4.612 1.00101.00 C ATOM 980 CD1 TYR A 57 19.894 7.368 -3.469 1.00118.80 C ATOM 981 CD2 TYR A 57 20.054 7.224 -5.843 1.00 98.55 C ATOM 982 CE1 TYR A 57 19.859 8.746 -3.553 1.00134.59 C ATOM 983 CE2 TYR A 57 20.018 8.602 -5.934 1.00109.80 C ATOM 984 CZ TYR A 57 19.920 9.358 -4.788 1.00127.99 C ATOM 985 OH TYR A 57 19.885 10.729 -4.877 1.00151.58 O ATOM 0 H TYR A 57 19.887 2.661 -4.450 1.00 92.07 H new ATOM 0 HA TYR A 57 18.203 4.682 -3.463 1.00 93.10 H new ATOM 0 HB2 TYR A 57 20.664 4.800 -3.666 1.00 97.74 H new ATOM 0 HB3 TYR A 57 20.550 4.692 -5.411 1.00 97.74 H new ATOM 0 HD1 TYR A 57 19.844 6.893 -2.501 1.00118.80 H new ATOM 0 HD2 TYR A 57 20.132 6.634 -6.744 1.00 98.55 H new ATOM 0 HE1 TYR A 57 19.784 9.342 -2.656 1.00134.59 H new ATOM 0 HE2 TYR A 57 20.067 9.084 -6.899 1.00109.80 H new ATOM 0 HH TYR A 57 19.362 11.092 -4.132 1.00151.58 H new ATOM 995 N MET A 58 18.094 4.238 -6.736 1.00 85.58 N ATOM 996 CA MET A 58 17.307 4.499 -7.938 1.00 88.65 C ATOM 997 C MET A 58 15.881 3.967 -7.800 1.00 92.75 C ATOM 998 O MET A 58 14.919 4.660 -8.128 1.00 94.75 O ATOM 999 CB MET A 58 17.971 3.861 -9.161 1.00 98.54 C ATOM 1000 CG MET A 58 17.204 4.096 -10.451 1.00121.45 C ATOM 1001 SD MET A 58 17.306 2.702 -11.588 1.00168.43 S ATOM 1002 CE MET A 58 15.622 2.644 -12.195 1.00126.04 C ATOM 0 H MET A 58 18.900 3.632 -6.888 1.00 85.58 H new ATOM 0 HA MET A 58 17.262 5.580 -8.069 1.00 88.65 H new ATOM 0 HB2 MET A 58 18.980 4.260 -9.268 1.00 98.54 H new ATOM 0 HB3 MET A 58 18.069 2.788 -8.995 1.00 98.54 H new ATOM 0 HG2 MET A 58 16.158 4.291 -10.216 1.00121.45 H new ATOM 0 HG3 MET A 58 17.592 4.988 -10.942 1.00121.45 H new ATOM 0 HE1 MET A 58 15.522 1.829 -12.912 1.00126.04 H new ATOM 0 HE2 MET A 58 14.940 2.479 -11.361 1.00126.04 H new ATOM 0 HE3 MET A 58 15.378 3.588 -12.682 1.00126.04 H new ATOM 1012 N GLN A 59 15.756 2.735 -7.304 1.00100.87 N ATOM 1013 CA GLN A 59 14.452 2.095 -7.136 1.00116.67 C ATOM 1014 C GLN A 59 13.572 2.858 -6.149 1.00119.74 C ATOM 1015 O GLN A 59 12.367 2.998 -6.364 1.00129.32 O ATOM 1016 CB GLN A 59 14.622 0.647 -6.672 1.00136.14 C ATOM 1017 CG GLN A 59 15.203 -0.267 -7.740 1.00224.10 C ATOM 1018 CD GLN A 59 15.360 -1.698 -7.263 1.00331.95 C ATOM 1019 OE1 GLN A 59 14.483 -2.238 -6.589 1.00419.53 O ATOM 1020 NE2 GLN A 59 16.476 -2.320 -7.613 1.00530.56 N ATOM 0 H GLN A 59 16.545 2.159 -7.011 1.00100.87 H new ATOM 0 HA GLN A 59 13.956 2.105 -8.107 1.00116.67 H new ATOM 0 HB2 GLN A 59 15.271 0.628 -5.796 1.00136.14 H new ATOM 0 HB3 GLN A 59 13.653 0.258 -6.359 1.00136.14 H new ATOM 0 HG2 GLN A 59 14.557 -0.250 -8.618 1.00224.10 H new ATOM 0 HG3 GLN A 59 16.175 0.117 -8.051 1.00224.10 H new ATOM 0 HE21 GLN A 59 17.177 -1.834 -8.173 1.00530.56 H new ATOM 0 HE22 GLN A 59 16.635 -3.285 -7.323 1.00530.56 H new ATOM 1029 N THR A 60 14.180 3.351 -5.072 1.00119.28 N ATOM 1030 CA THR A 60 13.450 4.105 -4.059 1.00133.33 C ATOM 1031 C THR A 60 12.831 5.367 -4.663 1.00123.04 C ATOM 1032 O THR A 60 11.654 5.663 -4.446 1.00131.40 O ATOM 1033 CB THR A 60 14.379 4.497 -2.888 1.00155.64 C ATOM 1034 OG1 THR A 60 14.921 3.319 -2.281 1.00210.19 O ATOM 1035 CG2 THR A 60 13.634 5.309 -1.835 1.00293.49 C ATOM 0 H THR A 60 15.176 3.241 -4.880 1.00119.28 H new ATOM 0 HA THR A 60 12.654 3.464 -3.680 1.00133.33 H new ATOM 0 HB THR A 60 15.183 5.112 -3.292 1.00155.64 H new ATOM 0 HG1 THR A 60 15.577 2.912 -2.885 1.00210.19 H new ATOM 0 HG21 THR A 60 14.316 5.568 -1.026 1.00293.49 H new ATOM 0 HG22 THR A 60 13.244 6.221 -2.287 1.00293.49 H new ATOM 0 HG23 THR A 60 12.808 4.719 -1.438 1.00293.49 H new ATOM 1043 N HIS A 61 13.633 6.103 -5.431 1.00113.35 N ATOM 1044 CA HIS A 61 13.164 7.326 -6.076 1.00115.98 C ATOM 1045 C HIS A 61 12.174 7.019 -7.195 1.00107.49 C ATOM 1046 O HIS A 61 11.188 7.735 -7.373 1.00114.22 O ATOM 1047 CB HIS A 61 14.344 8.135 -6.623 1.00122.87 C ATOM 1048 CG HIS A 61 15.125 8.830 -5.554 1.00131.92 C ATOM 1049 ND1 HIS A 61 16.071 8.212 -4.766 1.00275.05 N ATOM 1050 CD2 HIS A 61 15.072 10.120 -5.131 1.00279.92 C ATOM 1051 CE1 HIS A 61 16.546 9.121 -3.907 1.00359.22 C ATOM 1052 NE2 HIS A 61 15.975 10.296 -4.088 1.00383.72 N ATOM 0 H HIS A 61 14.609 5.873 -5.621 1.00113.35 H new ATOM 0 HA HIS A 61 12.649 7.920 -5.321 1.00115.98 H new ATOM 0 HB2 HIS A 61 15.008 7.470 -7.175 1.00122.87 H new ATOM 0 HB3 HIS A 61 13.972 8.875 -7.332 1.00122.87 H new ATOM 0 HD1 HIS A 61 16.358 7.235 -4.827 1.00275.05 H new ATOM 0 HD2 HIS A 61 14.431 10.887 -5.540 1.00279.92 H new ATOM 0 HE1 HIS A 61 17.300 8.919 -3.161 1.00359.22 H new ATOM 1060 N TRP A 62 12.440 5.948 -7.941 1.00103.09 N ATOM 1061 CA TRP A 62 11.575 5.545 -9.046 1.00108.22 C ATOM 1062 C TRP A 62 10.165 5.238 -8.553 1.00109.99 C ATOM 1063 O TRP A 62 9.190 5.723 -9.122 1.00109.87 O ATOM 1064 CB TRP A 62 12.161 4.320 -9.758 1.00127.48 C ATOM 1065 CG TRP A 62 11.315 3.811 -10.891 1.00133.67 C ATOM 1066 CD1 TRP A 62 10.517 2.703 -10.883 1.00247.58 C ATOM 1067 CD2 TRP A 62 11.191 4.386 -12.198 1.00179.60 C ATOM 1068 NE1 TRP A 62 9.898 2.558 -12.100 1.00312.83 N ATOM 1069 CE2 TRP A 62 10.295 3.578 -12.925 1.00226.72 C ATOM 1070 CE3 TRP A 62 11.744 5.508 -12.823 1.00343.23 C ATOM 1071 CZ2 TRP A 62 9.945 3.854 -14.245 1.00315.75 C ATOM 1072 CZ3 TRP A 62 11.394 5.782 -14.132 1.00497.00 C ATOM 1073 CH2 TRP A 62 10.503 4.958 -14.831 1.00423.30 C ATOM 0 H TRP A 62 13.249 5.344 -7.799 1.00103.09 H new ATOM 0 HA TRP A 62 11.518 6.374 -9.751 1.00108.22 H new ATOM 0 HB2 TRP A 62 13.150 4.573 -10.141 1.00127.48 H new ATOM 0 HB3 TRP A 62 12.296 3.520 -9.031 1.00127.48 H new ATOM 0 HD1 TRP A 62 10.391 2.038 -10.042 1.00247.58 H new ATOM 0 HE1 TRP A 62 9.248 1.812 -12.350 1.00312.83 H new ATOM 0 HE3 TRP A 62 12.432 6.149 -12.292 1.00343.23 H new ATOM 0 HZ2 TRP A 62 9.258 3.220 -14.786 1.00315.75 H new ATOM 0 HZ3 TRP A 62 11.815 6.646 -14.624 1.00497.00 H new ATOM 0 HH2 TRP A 62 10.251 5.199 -15.853 1.00423.30 H new ATOM 1084 N ALA A 63 10.066 4.444 -7.488 1.00122.59 N ATOM 1085 CA ALA A 63 8.771 4.074 -6.921 1.00140.54 C ATOM 1086 C ALA A 63 7.979 5.300 -6.463 1.00132.51 C ATOM 1087 O ALA A 63 6.770 5.384 -6.689 1.00138.48 O ATOM 1088 CB ALA A 63 8.959 3.106 -5.762 1.00177.00 C ATOM 0 H ALA A 63 10.868 4.045 -7.000 1.00122.59 H new ATOM 0 HA ALA A 63 8.196 3.585 -7.707 1.00140.54 H new ATOM 0 HB1 ALA A 63 7.986 2.839 -5.349 1.00177.00 H new ATOM 0 HB2 ALA A 63 9.462 2.206 -6.117 1.00177.00 H new ATOM 0 HB3 ALA A 63 9.564 3.578 -4.988 1.00177.00 H new ATOM 1094 N ASN A 64 8.665 6.241 -5.814 1.00130.71 N ATOM 1095 CA ASN A 64 8.025 7.461 -5.319 1.00142.85 C ATOM 1096 C ASN A 64 7.457 8.306 -6.461 1.00123.82 C ATOM 1097 O ASN A 64 6.305 8.739 -6.408 1.00135.07 O ATOM 1098 CB ASN A 64 9.028 8.291 -4.510 1.00164.43 C ATOM 1099 CG ASN A 64 8.406 9.540 -3.916 1.00265.68 C ATOM 1100 OD1 ASN A 64 7.461 9.464 -3.133 1.00385.44 O ATOM 1101 ND2 ASN A 64 8.935 10.701 -4.283 1.00478.76 N ATOM 0 H ASN A 64 9.664 6.182 -5.618 1.00130.71 H new ATOM 0 HA ASN A 64 7.196 7.161 -4.678 1.00142.85 H new ATOM 0 HB2 ASN A 64 9.439 7.677 -3.708 1.00164.43 H new ATOM 0 HB3 ASN A 64 9.861 8.575 -5.153 1.00164.43 H new ATOM 0 HD21 ASN A 64 8.558 11.573 -3.913 1.00478.76 H new ATOM 0 HD22 ASN A 64 9.719 10.721 -4.935 1.00478.76 H new ATOM 1108 N TYR A 65 8.267 8.533 -7.492 1.00107.76 N ATOM 1109 CA TYR A 65 7.835 9.328 -8.642 1.00105.48 C ATOM 1110 C TYR A 65 6.805 8.585 -9.490 1.00 96.64 C ATOM 1111 O TYR A 65 5.882 9.198 -10.023 1.00 99.98 O ATOM 1112 CB TYR A 65 9.034 9.736 -9.502 1.00113.05 C ATOM 1113 CG TYR A 65 9.853 10.861 -8.904 1.00145.73 C ATOM 1114 CD1 TYR A 65 10.945 10.598 -8.086 1.00232.85 C ATOM 1115 CD2 TYR A 65 9.529 12.190 -9.154 1.00235.47 C ATOM 1116 CE1 TYR A 65 11.687 11.624 -7.533 1.00386.18 C ATOM 1117 CE2 TYR A 65 10.267 13.220 -8.606 1.00391.55 C ATOM 1118 CZ TYR A 65 11.345 12.933 -7.796 1.00454.97 C ATOM 1119 OH TYR A 65 12.081 13.956 -7.245 1.00727.09 O ATOM 0 H TYR A 65 9.222 8.180 -7.556 1.00107.76 H new ATOM 0 HA TYR A 65 7.359 10.228 -8.252 1.00105.48 H new ATOM 0 HB2 TYR A 65 9.677 8.868 -9.650 1.00113.05 H new ATOM 0 HB3 TYR A 65 8.678 10.040 -10.486 1.00113.05 H new ATOM 0 HD1 TYR A 65 11.218 9.574 -7.879 1.00232.85 H new ATOM 0 HD2 TYR A 65 8.685 12.420 -9.788 1.00235.47 H new ATOM 0 HE1 TYR A 65 12.531 11.401 -6.897 1.00386.18 H new ATOM 0 HE2 TYR A 65 10.001 14.246 -8.811 1.00391.55 H new ATOM 0 HH TYR A 65 11.709 14.817 -7.530 1.00727.09 H new ATOM 1129 N MET A 66 6.975 7.267 -9.607 1.00100.31 N ATOM 1130 CA MET A 66 6.072 6.424 -10.395 1.00109.39 C ATOM 1131 C MET A 66 4.609 6.626 -10.002 1.00 98.69 C ATOM 1132 O MET A 66 3.743 6.748 -10.868 1.00 95.47 O ATOM 1133 CB MET A 66 6.450 4.949 -10.235 1.00145.18 C ATOM 1134 CG MET A 66 5.591 4.002 -11.059 1.00219.57 C ATOM 1135 SD MET A 66 5.958 2.270 -10.723 1.00467.34 S ATOM 1136 CE MET A 66 5.229 2.090 -9.098 1.00664.46 C ATOM 0 H MET A 66 7.737 6.756 -9.162 1.00100.31 H new ATOM 0 HA MET A 66 6.181 6.721 -11.438 1.00109.39 H new ATOM 0 HB2 MET A 66 7.494 4.818 -10.520 1.00145.18 H new ATOM 0 HB3 MET A 66 6.370 4.675 -9.183 1.00145.18 H new ATOM 0 HG2 MET A 66 4.539 4.195 -10.849 1.00219.57 H new ATOM 0 HG3 MET A 66 5.747 4.204 -12.119 1.00219.57 H new ATOM 0 HE1 MET A 66 6.017 1.937 -8.361 1.00664.46 H new ATOM 0 HE2 MET A 66 4.669 2.991 -8.849 1.00664.46 H new ATOM 0 HE3 MET A 66 4.557 1.232 -9.094 1.00664.46 H new ATOM 1146 N LEU A 67 4.336 6.664 -8.697 1.00106.10 N ATOM 1147 CA LEU A 67 2.967 6.837 -8.209 1.00116.66 C ATOM 1148 C LEU A 67 2.381 8.171 -8.671 1.00108.80 C ATOM 1149 O LEU A 67 1.219 8.236 -9.079 1.00118.57 O ATOM 1150 CB LEU A 67 2.935 6.757 -6.680 1.00148.14 C ATOM 1151 CG LEU A 67 3.206 5.369 -6.094 1.00211.08 C ATOM 1152 CD1 LEU A 67 3.383 5.452 -4.587 1.00447.74 C ATOM 1153 CD2 LEU A 67 2.078 4.410 -6.447 1.00275.63 C ATOM 0 H LEU A 67 5.039 6.578 -7.963 1.00106.10 H new ATOM 0 HA LEU A 67 2.359 6.033 -8.624 1.00116.66 H new ATOM 0 HB2 LEU A 67 3.673 7.453 -6.280 1.00148.14 H new ATOM 0 HB3 LEU A 67 1.958 7.095 -6.335 1.00148.14 H new ATOM 0 HG LEU A 67 4.130 4.987 -6.528 1.00211.08 H new ATOM 0 HD11 LEU A 67 3.575 4.456 -4.188 1.00447.74 H new ATOM 0 HD12 LEU A 67 4.225 6.104 -4.355 1.00447.74 H new ATOM 0 HD13 LEU A 67 2.476 5.855 -4.136 1.00447.74 H new ATOM 0 HD21 LEU A 67 2.288 3.429 -6.022 1.00275.63 H new ATOM 0 HD22 LEU A 67 1.139 4.787 -6.042 1.00275.63 H new ATOM 0 HD23 LEU A 67 1.997 4.326 -7.531 1.00275.63 H new ATOM 1165 N TRP A 68 3.187 9.226 -8.607 1.00106.53 N ATOM 1166 CA TRP A 68 2.747 10.551 -9.040 1.00124.45 C ATOM 1167 C TRP A 68 2.559 10.586 -10.555 1.00115.98 C ATOM 1168 O TRP A 68 1.608 11.185 -11.061 1.00137.68 O ATOM 1169 CB TRP A 68 3.758 11.614 -8.607 1.00141.87 C ATOM 1170 CG TRP A 68 3.725 11.899 -7.135 1.00235.50 C ATOM 1171 CD1 TRP A 68 4.572 11.405 -6.185 1.00490.24 C ATOM 1172 CD2 TRP A 68 2.796 12.744 -6.444 1.00400.41 C ATOM 1173 NE1 TRP A 68 4.228 11.892 -4.946 1.00738.82 N ATOM 1174 CE2 TRP A 68 3.140 12.715 -5.080 1.00651.44 C ATOM 1175 CE3 TRP A 68 1.707 13.523 -6.849 1.00657.26 C ATOM 1176 CZ2 TRP A 68 2.435 13.435 -4.118 1.00999.99 C ATOM 1177 CZ3 TRP A 68 1.008 14.236 -5.893 1.00999.99 C ATOM 1178 CH2 TRP A 68 1.374 14.189 -4.543 1.00999.99 C ATOM 0 H TRP A 68 4.146 9.191 -8.261 1.00106.53 H new ATOM 0 HA TRP A 68 1.788 10.766 -8.568 1.00124.45 H new ATOM 0 HB2 TRP A 68 4.760 11.287 -8.884 1.00141.87 H new ATOM 0 HB3 TRP A 68 3.561 12.537 -9.153 1.00141.87 H new ATOM 0 HD1 TRP A 68 5.393 10.730 -6.378 1.00490.24 H new ATOM 0 HE1 TRP A 68 4.704 11.676 -4.070 1.00738.82 H new ATOM 0 HE3 TRP A 68 1.418 13.567 -7.889 1.00657.26 H new ATOM 0 HZ2 TRP A 68 2.715 13.400 -3.076 1.00999.99 H new ATOM 0 HZ3 TRP A 68 0.165 14.840 -6.193 1.00999.99 H new ATOM 0 HH2 TRP A 68 0.808 14.759 -3.821 1.00999.99 H new ATOM 1189 N ILE A 69 3.482 9.939 -11.269 1.00100.14 N ATOM 1190 CA ILE A 69 3.433 9.872 -12.727 1.00109.34 C ATOM 1191 C ILE A 69 2.186 9.119 -13.197 1.00 98.52 C ATOM 1192 O ILE A 69 1.485 9.571 -14.104 1.00102.48 O ATOM 1193 CB ILE A 69 4.701 9.191 -13.300 1.00126.71 C ATOM 1194 CG1 ILE A 69 5.929 10.078 -13.069 1.00180.43 C ATOM 1195 CG2 ILE A 69 4.541 8.892 -14.788 1.00229.70 C ATOM 1196 CD1 ILE A 69 7.245 9.380 -13.346 1.00398.95 C ATOM 0 H ILE A 69 4.277 9.451 -10.856 1.00100.14 H new ATOM 0 HA ILE A 69 3.390 10.896 -13.099 1.00109.34 H new ATOM 0 HB ILE A 69 4.841 8.245 -12.777 1.00126.71 H new ATOM 0 HG12 ILE A 69 5.854 10.960 -13.706 1.00180.43 H new ATOM 0 HG13 ILE A 69 5.924 10.429 -12.037 1.00180.43 H new ATOM 0 HG21 ILE A 69 5.446 8.414 -15.163 1.00229.70 H new ATOM 0 HG22 ILE A 69 3.691 8.226 -14.936 1.00229.70 H new ATOM 0 HG23 ILE A 69 4.371 9.822 -15.330 1.00229.70 H new ATOM 0 HD11 ILE A 69 8.069 10.070 -13.161 1.00398.95 H new ATOM 0 HD12 ILE A 69 7.343 8.514 -12.691 1.00398.95 H new ATOM 0 HD13 ILE A 69 7.272 9.053 -14.386 1.00398.95 H new ATOM 1208 N ASN A 70 1.902 7.985 -12.552 1.00 98.70 N ATOM 1209 CA ASN A 70 0.746 7.161 -12.908 1.00108.34 C ATOM 1210 C ASN A 70 -0.560 7.927 -12.742 1.00120.06 C ATOM 1211 O ASN A 70 -1.467 7.789 -13.560 1.00131.59 O ATOM 1212 CB ASN A 70 0.704 5.881 -12.069 1.00133.91 C ATOM 1213 CG ASN A 70 1.771 4.880 -12.474 1.00223.62 C ATOM 1214 OD1 ASN A 70 2.307 4.936 -13.579 1.00293.89 O ATOM 1215 ND2 ASN A 70 2.081 3.952 -11.579 1.00366.97 N ATOM 0 H ASN A 70 2.458 7.617 -11.780 1.00 98.70 H new ATOM 0 HA ASN A 70 0.857 6.893 -13.959 1.00108.34 H new ATOM 0 HB2 ASN A 70 0.832 6.137 -11.017 1.00133.91 H new ATOM 0 HB3 ASN A 70 -0.278 5.419 -12.168 1.00133.91 H new ATOM 0 HD21 ASN A 70 2.788 3.250 -11.797 1.00366.97 H new ATOM 0 HD22 ASN A 70 1.613 3.941 -10.673 1.00366.97 H new ATOM 1222 N LYS A 71 -0.657 8.729 -11.682 1.00128.99 N ATOM 1223 CA LYS A 71 -1.864 9.514 -11.436 1.00158.88 C ATOM 1224 C LYS A 71 -2.127 10.471 -12.600 1.00165.29 C ATOM 1225 O LYS A 71 -3.244 10.548 -13.115 1.00199.45 O ATOM 1226 CB LYS A 71 -1.727 10.308 -10.132 1.00176.32 C ATOM 1227 CG LYS A 71 -2.950 11.149 -9.794 1.00189.37 C ATOM 1228 CD LYS A 71 -2.767 11.911 -8.492 1.00297.71 C ATOM 1229 CE LYS A 71 -3.990 12.754 -8.168 1.00468.76 C ATOM 1230 NZ LYS A 71 -3.828 13.507 -6.894 1.00709.01 N1+ ATOM 0 H LYS A 71 0.079 8.851 -10.986 1.00128.99 H new ATOM 0 HA LYS A 71 -2.706 8.828 -11.347 1.00158.88 H new ATOM 0 HB2 LYS A 71 -1.537 9.614 -9.313 1.00176.32 H new ATOM 0 HB3 LYS A 71 -0.857 10.961 -10.205 1.00176.32 H new ATOM 0 HG2 LYS A 71 -3.142 11.853 -10.604 1.00189.37 H new ATOM 0 HG3 LYS A 71 -3.825 10.504 -9.718 1.00189.37 H new ATOM 0 HD2 LYS A 71 -2.582 11.208 -7.680 1.00297.71 H new ATOM 0 HD3 LYS A 71 -1.889 12.553 -8.564 1.00297.71 H new ATOM 0 HE2 LYS A 71 -4.173 13.455 -8.982 1.00468.76 H new ATOM 0 HE3 LYS A 71 -4.866 12.110 -8.099 1.00468.76 H new ATOM 0 HZ1 LYS A 71 -4.763 13.788 -6.535 1.00709.01 H new ATOM 0 HZ2 LYS A 71 -3.355 12.903 -6.192 1.00709.01 H new ATOM 0 HZ3 LYS A 71 -3.253 14.357 -7.064 1.00709.01 H new ATOM 1244 N LYS A 72 -1.083 11.190 -13.008 1.00147.67 N ATOM 1245 CA LYS A 72 -1.183 12.136 -14.116 1.00167.79 C ATOM 1246 C LYS A 72 -1.487 11.414 -15.431 1.00155.98 C ATOM 1247 O LYS A 72 -2.350 11.838 -16.199 1.00185.51 O ATOM 1248 CB LYS A 72 0.119 12.938 -14.239 1.00170.64 C ATOM 1249 CG LYS A 72 0.104 13.986 -15.344 1.00316.84 C ATOM 1250 CD LYS A 72 -0.889 15.100 -15.049 1.00381.24 C ATOM 1251 CE LYS A 72 -0.816 16.204 -16.092 1.00594.12 C ATOM 1252 NZ LYS A 72 0.523 16.857 -16.116 1.00931.14 N1+ ATOM 0 H LYS A 72 -0.156 11.135 -12.586 1.00147.67 H new ATOM 0 HA LYS A 72 -2.006 12.820 -13.909 1.00167.79 H new ATOM 0 HB2 LYS A 72 0.320 13.432 -13.288 1.00170.64 H new ATOM 0 HB3 LYS A 72 0.943 12.247 -14.420 1.00170.64 H new ATOM 0 HG2 LYS A 72 1.102 14.409 -15.458 1.00316.84 H new ATOM 0 HG3 LYS A 72 -0.152 13.512 -16.292 1.00316.84 H new ATOM 0 HD2 LYS A 72 -1.899 14.691 -15.022 1.00381.24 H new ATOM 0 HD3 LYS A 72 -0.687 15.517 -14.062 1.00381.24 H new ATOM 0 HE2 LYS A 72 -1.035 15.789 -17.076 1.00594.12 H new ATOM 0 HE3 LYS A 72 -1.581 16.952 -15.883 1.00594.12 H new ATOM 0 HZ1 LYS A 72 0.460 17.760 -16.628 1.00931.14 H new ATOM 0 HZ2 LYS A 72 0.841 17.033 -15.142 1.00931.14 H new ATOM 0 HZ3 LYS A 72 1.204 16.234 -16.595 1.00931.14 H new ATOM 1266 N ILE A 73 -0.773 10.312 -15.673 1.00124.40 N ATOM 1267 CA ILE A 73 -0.947 9.526 -16.892 1.00120.21 C ATOM 1268 C ILE A 73 -2.353 8.931 -16.993 1.00146.29 C ATOM 1269 O ILE A 73 -2.988 9.006 -18.047 1.00164.56 O ATOM 1270 CB ILE A 73 0.110 8.398 -16.985 1.00101.39 C ATOM 1271 CG1 ILE A 73 1.512 9.001 -17.120 1.00 92.06 C ATOM 1272 CG2 ILE A 73 -0.182 7.458 -18.148 1.00111.59 C ATOM 1273 CD1 ILE A 73 1.677 9.908 -18.321 1.00175.26 C ATOM 0 H ILE A 73 -0.066 9.944 -15.036 1.00124.40 H new ATOM 0 HA ILE A 73 -0.808 10.210 -17.729 1.00120.21 H new ATOM 0 HB ILE A 73 0.063 7.812 -16.067 1.00101.39 H new ATOM 0 HG12 ILE A 73 1.743 9.565 -16.216 1.00 92.06 H new ATOM 0 HG13 ILE A 73 2.240 8.192 -17.185 1.00 92.06 H new ATOM 0 HG21 ILE A 73 0.578 6.678 -18.185 1.00111.59 H new ATOM 0 HG22 ILE A 73 -1.163 7.003 -18.010 1.00111.59 H new ATOM 0 HG23 ILE A 73 -0.171 8.020 -19.082 1.00111.59 H new ATOM 0 HD11 ILE A 73 2.696 10.295 -18.347 1.00175.26 H new ATOM 0 HD12 ILE A 73 1.480 9.344 -19.233 1.00175.26 H new ATOM 0 HD13 ILE A 73 0.975 10.738 -18.249 1.00175.26 H new ATOM 1285 N ASP A 74 -2.839 8.351 -15.896 1.00158.55 N ATOM 1286 CA ASP A 74 -4.174 7.751 -15.880 1.00202.00 C ATOM 1287 C ASP A 74 -5.246 8.797 -16.159 1.00242.74 C ATOM 1288 O ASP A 74 -6.214 8.524 -16.866 1.00281.70 O ATOM 1289 CB ASP A 74 -4.455 7.063 -14.540 1.00220.79 C ATOM 1290 CG ASP A 74 -3.687 5.765 -14.370 1.00329.98 C ATOM 1291 OD1 ASP A 74 -3.136 5.265 -15.372 1.00443.19 O ATOM 1292 OD2 ASP A 74 -3.639 5.250 -13.234 1.00427.10 O1- ATOM 0 H ASP A 74 -2.333 8.284 -15.013 1.00158.55 H new ATOM 0 HA ASP A 74 -4.203 7.000 -16.669 1.00202.00 H new ATOM 0 HB2 ASP A 74 -4.196 7.742 -13.727 1.00220.79 H new ATOM 0 HB3 ASP A 74 -5.523 6.861 -14.458 1.00220.79 H new ATOM 1297 N ALA A 75 -5.078 9.986 -15.584 1.00246.88 N ATOM 1298 CA ALA A 75 -6.025 11.077 -15.791 1.00303.14 C ATOM 1299 C ALA A 75 -6.041 11.523 -17.253 1.00309.74 C ATOM 1300 O ALA A 75 -7.098 11.817 -17.808 1.00366.44 O ATOM 1301 CB ALA A 75 -5.688 12.247 -14.878 1.00317.77 C ATOM 0 H ALA A 75 -4.296 10.217 -14.972 1.00246.88 H new ATOM 0 HA ALA A 75 -7.022 10.714 -15.542 1.00303.14 H new ATOM 0 HB1 ALA A 75 -6.402 13.054 -15.042 1.00317.77 H new ATOM 0 HB2 ALA A 75 -5.739 11.924 -13.838 1.00317.77 H new ATOM 0 HB3 ALA A 75 -4.681 12.602 -15.099 1.00317.77 H new ATOM 1307 N LEU A 76 -4.856 11.584 -17.863 1.00262.22 N ATOM 1308 CA LEU A 76 -4.728 11.982 -19.266 1.00269.91 C ATOM 1309 C LEU A 76 -5.287 10.912 -20.203 1.00268.22 C ATOM 1310 O LEU A 76 -5.927 11.224 -21.206 1.00302.70 O ATOM 1311 CB LEU A 76 -3.261 12.252 -19.615 1.00232.17 C ATOM 1312 CG LEU A 76 -2.648 13.493 -18.959 1.00295.01 C ATOM 1313 CD1 LEU A 76 -1.147 13.534 -19.202 1.00354.50 C ATOM 1314 CD2 LEU A 76 -3.310 14.760 -19.483 1.00386.93 C ATOM 0 H LEU A 76 -3.971 11.363 -17.407 1.00262.22 H new ATOM 0 HA LEU A 76 -5.307 12.896 -19.401 1.00269.91 H new ATOM 0 HB2 LEU A 76 -2.671 11.381 -19.329 1.00232.17 H new ATOM 0 HB3 LEU A 76 -3.175 12.354 -20.697 1.00232.17 H new ATOM 0 HG LEU A 76 -2.823 13.437 -17.885 1.00295.01 H new ATOM 0 HD11 LEU A 76 -0.726 14.422 -18.730 1.00354.50 H new ATOM 0 HD12 LEU A 76 -0.685 12.643 -18.777 1.00354.50 H new ATOM 0 HD13 LEU A 76 -0.953 13.567 -20.274 1.00354.50 H new ATOM 0 HD21 LEU A 76 -2.860 15.630 -19.005 1.00386.93 H new ATOM 0 HD22 LEU A 76 -3.168 14.825 -20.562 1.00386.93 H new ATOM 0 HD23 LEU A 76 -4.376 14.733 -19.258 1.00386.93 H new ATOM 1326 N GLY A 77 -5.028 9.649 -19.870 1.00237.46 N ATOM 1327 CA GLY A 77 -5.502 8.544 -20.688 1.00244.67 C ATOM 1328 C GLY A 77 -4.494 8.135 -21.750 1.00214.25 C ATOM 1329 O GLY A 77 -4.669 7.120 -22.425 1.00215.50 O ATOM 0 H GLY A 77 -4.496 9.371 -19.045 1.00237.46 H new ATOM 0 HA2 GLY A 77 -5.719 7.689 -20.048 1.00244.67 H new ATOM 0 HA3 GLY A 77 -6.438 8.827 -21.169 1.00244.67 H new ATOM 1333 N ARG A 78 -3.443 8.935 -21.898 1.00197.65 N ATOM 1334 CA ARG A 78 -2.392 8.670 -22.877 1.00177.49 C ATOM 1335 C ARG A 78 -1.484 7.528 -22.422 1.00145.33 C ATOM 1336 O ARG A 78 -1.316 7.300 -21.225 1.00130.99 O ATOM 1337 CB ARG A 78 -1.560 9.933 -23.113 1.00186.05 C ATOM 1338 CG ARG A 78 -2.349 11.078 -23.728 1.00259.99 C ATOM 1339 CD ARG A 78 -1.505 12.339 -23.842 1.00444.33 C ATOM 1340 NE ARG A 78 -0.401 12.177 -24.786 1.00529.49 N ATOM 1341 CZ ARG A 78 0.545 13.091 -24.980 1.00845.06 C ATOM 1342 NH1 ARG A 78 0.522 14.229 -24.299 1.00999.99 N1+ ATOM 1343 NH2 ARG A 78 1.515 12.865 -25.856 1.00999.99 N ATOM 0 H ARG A 78 -3.295 9.780 -21.347 1.00197.65 H new ATOM 0 HA ARG A 78 -2.871 8.373 -23.810 1.00177.49 H new ATOM 0 HB2 ARG A 78 -1.139 10.263 -22.163 1.00186.05 H new ATOM 0 HB3 ARG A 78 -0.722 9.689 -23.766 1.00186.05 H new ATOM 0 HG2 ARG A 78 -2.705 10.787 -24.716 1.00259.99 H new ATOM 0 HG3 ARG A 78 -3.230 11.282 -23.119 1.00259.99 H new ATOM 0 HD2 ARG A 78 -2.135 13.169 -24.161 1.00444.33 H new ATOM 0 HD3 ARG A 78 -1.108 12.599 -22.861 1.00444.33 H new ATOM 0 HE ARG A 78 -0.354 11.314 -25.327 1.00529.49 H new ATOM 0 HH11 ARG A 78 -0.223 14.405 -23.624 1.00999.99 H new ATOM 0 HH12 ARG A 78 1.249 14.928 -24.450 1.00999.99 H new ATOM 0 HH21 ARG A 78 1.535 11.990 -26.380 1.00999.99 H new ATOM 0 HH22 ARG A 78 2.241 13.566 -26.005 1.00999.99 H new ATOM 1357 N THR A 79 -0.895 6.820 -23.381 1.00147.30 N ATOM 1358 CA THR A 79 0.002 5.712 -23.070 1.00129.07 C ATOM 1359 C THR A 79 1.429 6.015 -23.534 1.00107.84 C ATOM 1360 O THR A 79 1.772 5.794 -24.698 1.00121.55 O ATOM 1361 CB THR A 79 -0.481 4.403 -23.729 1.00153.24 C ATOM 1362 OG1 THR A 79 -0.780 4.633 -25.111 1.00174.15 O ATOM 1363 CG2 THR A 79 -1.715 3.862 -23.022 1.00263.29 C ATOM 0 H THR A 79 -1.022 6.993 -24.378 1.00147.30 H new ATOM 0 HA THR A 79 -0.003 5.587 -21.987 1.00129.07 H new ATOM 0 HB THR A 79 0.317 3.665 -23.647 1.00153.24 H new ATOM 0 HG1 THR A 79 -0.032 5.106 -25.533 1.00174.15 H new ATOM 0 HG21 THR A 79 -2.036 2.939 -23.505 1.00263.29 H new ATOM 0 HG22 THR A 79 -1.477 3.661 -21.977 1.00263.29 H new ATOM 0 HG23 THR A 79 -2.517 4.598 -23.076 1.00263.29 H new ATOM 1371 N PRO A 80 2.269 6.549 -22.624 1.00105.89 N ATOM 1372 CA PRO A 80 3.669 6.899 -22.922 1.00 99.27 C ATOM 1373 C PRO A 80 4.519 5.701 -23.341 1.00 71.39 C ATOM 1374 O PRO A 80 4.365 4.597 -22.818 1.00 73.88 O ATOM 1375 CB PRO A 80 4.186 7.470 -21.595 1.00135.47 C ATOM 1376 CG PRO A 80 2.961 7.877 -20.858 1.00173.89 C ATOM 1377 CD PRO A 80 1.924 6.860 -21.227 1.00146.19 C ATOM 0 HA PRO A 80 3.729 7.589 -23.764 1.00 99.27 H new ATOM 0 HB2 PRO A 80 4.754 6.725 -21.038 1.00135.47 H new ATOM 0 HB3 PRO A 80 4.849 8.319 -21.761 1.00135.47 H new ATOM 0 HG2 PRO A 80 3.135 7.890 -19.782 1.00173.89 H new ATOM 0 HG3 PRO A 80 2.646 8.881 -21.142 1.00173.89 H new ATOM 0 HD2 PRO A 80 1.976 5.977 -20.590 1.00146.19 H new ATOM 0 HD3 PRO A 80 0.914 7.259 -21.137 1.00146.19 H new ATOM 1385 N VAL A 81 5.427 5.936 -24.281 1.00 74.50 N ATOM 1386 CA VAL A 81 6.324 4.893 -24.766 1.00 73.51 C ATOM 1387 C VAL A 81 7.706 5.028 -24.121 1.00 58.31 C ATOM 1388 O VAL A 81 7.926 5.919 -23.301 1.00 53.72 O ATOM 1389 CB VAL A 81 6.459 4.928 -26.306 1.00118.66 C ATOM 1390 CG1 VAL A 81 5.158 4.492 -26.963 1.00201.66 C ATOM 1391 CG2 VAL A 81 6.860 6.317 -26.787 1.00126.19 C ATOM 0 H VAL A 81 5.562 6.844 -24.725 1.00 74.50 H new ATOM 0 HA VAL A 81 5.889 3.934 -24.485 1.00 73.51 H new ATOM 0 HB VAL A 81 7.246 4.230 -26.594 1.00118.66 H new ATOM 0 HG11 VAL A 81 5.270 4.522 -28.047 1.00201.66 H new ATOM 0 HG12 VAL A 81 4.916 3.476 -26.651 1.00201.66 H new ATOM 0 HG13 VAL A 81 4.355 5.165 -26.662 1.00201.66 H new ATOM 0 HG21 VAL A 81 6.948 6.314 -27.873 1.00126.19 H new ATOM 0 HG22 VAL A 81 6.101 7.039 -26.486 1.00126.19 H new ATOM 0 HG23 VAL A 81 7.818 6.592 -26.346 1.00126.19 H new ATOM 1401 N VAL A 82 8.634 4.156 -24.518 1.00 61.16 N ATOM 1402 CA VAL A 82 9.996 4.169 -23.974 1.00 54.41 C ATOM 1403 C VAL A 82 10.665 5.526 -24.210 1.00 57.95 C ATOM 1404 O VAL A 82 11.328 6.062 -23.320 1.00 54.39 O ATOM 1405 CB VAL A 82 10.864 3.046 -24.592 1.00 69.04 C ATOM 1406 CG1 VAL A 82 12.324 3.180 -24.180 1.00 67.92 C ATOM 1407 CG2 VAL A 82 10.325 1.680 -24.195 1.00 81.09 C ATOM 0 H VAL A 82 8.468 3.430 -25.215 1.00 61.16 H new ATOM 0 HA VAL A 82 9.916 3.993 -22.901 1.00 54.41 H new ATOM 0 HB VAL A 82 10.813 3.145 -25.676 1.00 69.04 H new ATOM 0 HG11 VAL A 82 12.905 2.376 -24.631 1.00 67.92 H new ATOM 0 HG12 VAL A 82 12.711 4.141 -24.519 1.00 67.92 H new ATOM 0 HG13 VAL A 82 12.403 3.119 -23.095 1.00 67.92 H new ATOM 0 HG21 VAL A 82 10.946 0.901 -24.637 1.00 81.09 H new ATOM 0 HG22 VAL A 82 10.341 1.584 -23.109 1.00 81.09 H new ATOM 0 HG23 VAL A 82 9.301 1.575 -24.553 1.00 81.09 H new ATOM 1417 N GLY A 83 10.481 6.077 -25.408 1.00 75.64 N ATOM 1418 CA GLY A 83 11.056 7.375 -25.730 1.00 94.40 C ATOM 1419 C GLY A 83 10.539 8.477 -24.818 1.00 94.83 C ATOM 1420 O GLY A 83 11.290 9.362 -24.423 1.00106.63 O ATOM 0 H GLY A 83 9.944 5.648 -26.162 1.00 75.64 H new ATOM 0 HA2 GLY A 83 12.142 7.319 -25.650 1.00 94.40 H new ATOM 0 HA3 GLY A 83 10.826 7.625 -26.766 1.00 94.40 H new ATOM 1424 N ASP A 84 9.249 8.426 -24.499 1.00 92.18 N ATOM 1425 CA ASP A 84 8.623 9.418 -23.620 1.00102.40 C ATOM 1426 C ASP A 84 9.208 9.362 -22.209 1.00 86.66 C ATOM 1427 O ASP A 84 9.401 10.392 -21.563 1.00 97.33 O ATOM 1428 CB ASP A 84 7.109 9.197 -23.549 1.00115.37 C ATOM 1429 CG ASP A 84 6.396 9.574 -24.832 1.00251.00 C ATOM 1430 OD1 ASP A 84 6.989 10.304 -25.653 1.00343.77 O ATOM 1431 OD2 ASP A 84 5.246 9.125 -25.019 1.00397.23 O1- ATOM 0 H ASP A 84 8.611 7.705 -24.837 1.00 92.18 H new ATOM 0 HA ASP A 84 8.828 10.401 -24.044 1.00102.40 H new ATOM 0 HB2 ASP A 84 6.910 8.149 -23.323 1.00115.37 H new ATOM 0 HB3 ASP A 84 6.700 9.783 -22.726 1.00115.37 H new ATOM 1436 N TYR A 85 9.484 8.147 -21.739 1.00 69.93 N ATOM 1437 CA TYR A 85 10.028 7.935 -20.397 1.00 64.74 C ATOM 1438 C TYR A 85 11.456 8.464 -20.247 1.00 62.43 C ATOM 1439 O TYR A 85 11.872 8.787 -19.133 1.00 66.14 O ATOM 1440 CB TYR A 85 9.983 6.452 -20.018 1.00 61.79 C ATOM 1441 CG TYR A 85 8.628 5.983 -19.527 1.00 59.01 C ATOM 1442 CD1 TYR A 85 7.704 5.419 -20.395 1.00112.09 C ATOM 1443 CD2 TYR A 85 8.280 6.104 -18.187 1.00109.27 C ATOM 1444 CE1 TYR A 85 6.470 4.988 -19.943 1.00147.96 C ATOM 1445 CE2 TYR A 85 7.048 5.676 -17.728 1.00132.22 C ATOM 1446 CZ TYR A 85 6.148 5.120 -18.612 1.00117.15 C ATOM 1447 OH TYR A 85 4.921 4.692 -18.159 1.00176.41 O ATOM 0 H TYR A 85 9.339 7.289 -22.271 1.00 69.93 H new ATOM 0 HA TYR A 85 9.394 8.504 -19.717 1.00 64.74 H new ATOM 0 HB2 TYR A 85 10.270 5.857 -20.885 1.00 61.79 H new ATOM 0 HB3 TYR A 85 10.725 6.263 -19.242 1.00 61.79 H new ATOM 0 HD1 TYR A 85 7.953 5.315 -21.441 1.00112.09 H new ATOM 0 HD2 TYR A 85 8.983 6.539 -17.493 1.00109.27 H new ATOM 0 HE1 TYR A 85 5.763 4.550 -20.632 1.00147.96 H new ATOM 0 HE2 TYR A 85 6.792 5.777 -16.684 1.00132.22 H new ATOM 0 HH TYR A 85 4.853 4.856 -17.195 1.00176.41 H new ATOM 1457 N THR A 86 12.211 8.531 -21.347 1.00 61.53 N ATOM 1458 CA THR A 86 13.592 9.023 -21.287 1.00 68.56 C ATOM 1459 C THR A 86 13.652 10.439 -20.699 1.00 71.75 C ATOM 1460 O THR A 86 14.599 10.782 -19.990 1.00 78.21 O ATOM 1461 CB THR A 86 14.294 8.976 -22.675 1.00 77.74 C ATOM 1462 OG1 THR A 86 15.711 8.864 -22.504 1.00165.16 O ATOM 1463 CG2 THR A 86 13.997 10.211 -23.519 1.00224.32 C ATOM 0 H THR A 86 11.896 8.255 -22.277 1.00 61.53 H new ATOM 0 HA THR A 86 14.136 8.351 -20.624 1.00 68.56 H new ATOM 0 HB THR A 86 13.901 8.105 -23.199 1.00 77.74 H new ATOM 0 HG1 THR A 86 15.918 8.033 -22.028 1.00165.16 H new ATOM 0 HG21 THR A 86 14.510 10.129 -24.477 1.00224.32 H new ATOM 0 HG22 THR A 86 12.923 10.287 -23.688 1.00224.32 H new ATOM 0 HG23 THR A 86 14.346 11.102 -22.996 1.00224.32 H new ATOM 1471 N ARG A 87 12.632 11.254 -20.989 1.00 72.61 N ATOM 1472 CA ARG A 87 12.570 12.617 -20.466 1.00 82.36 C ATOM 1473 C ARG A 87 12.420 12.600 -18.948 1.00 77.36 C ATOM 1474 O ARG A 87 13.040 13.396 -18.241 1.00 84.58 O ATOM 1475 CB ARG A 87 11.405 13.381 -21.101 1.00 92.09 C ATOM 1476 CG ARG A 87 11.609 13.690 -22.576 1.00178.45 C ATOM 1477 CD ARG A 87 10.371 14.331 -23.187 1.00290.74 C ATOM 1478 NE ARG A 87 10.070 15.627 -22.583 1.00442.12 N ATOM 1479 CZ ARG A 87 8.961 16.318 -22.832 1.00719.49 C ATOM 1480 NH1 ARG A 87 8.054 15.840 -23.676 1.00915.94 N1+ ATOM 1481 NH2 ARG A 87 8.760 17.488 -22.239 1.00999.99 N ATOM 0 H ARG A 87 11.843 10.992 -21.580 1.00 72.61 H new ATOM 0 HA ARG A 87 13.501 13.124 -20.720 1.00 82.36 H new ATOM 0 HB2 ARG A 87 10.492 12.797 -20.984 1.00 92.09 H new ATOM 0 HB3 ARG A 87 11.257 14.316 -20.560 1.00 92.09 H new ATOM 0 HG2 ARG A 87 12.462 14.358 -22.694 1.00178.45 H new ATOM 0 HG3 ARG A 87 11.847 12.771 -23.112 1.00178.45 H new ATOM 0 HD2 ARG A 87 10.520 14.457 -24.259 1.00290.74 H new ATOM 0 HD3 ARG A 87 9.518 13.665 -23.060 1.00290.74 H new ATOM 0 HE ARG A 87 10.749 16.024 -21.934 1.00442.12 H new ATOM 0 HH11 ARG A 87 8.207 14.942 -24.134 1.00915.94 H new ATOM 0 HH12 ARG A 87 7.204 16.371 -23.866 1.00915.94 H new ATOM 0 HH21 ARG A 87 9.456 17.858 -21.592 1.00999.99 H new ATOM 0 HH22 ARG A 87 7.909 18.017 -22.430 1.00999.99 H new ATOM 1495 N LEU A 88 11.584 11.682 -18.457 1.00 69.60 N ATOM 1496 CA LEU A 88 11.353 11.534 -17.024 1.00 69.42 C ATOM 1497 C LEU A 88 12.616 11.035 -16.328 1.00 63.28 C ATOM 1498 O LEU A 88 12.963 11.495 -15.240 1.00 65.18 O ATOM 1499 CB LEU A 88 10.197 10.562 -16.770 1.00 73.41 C ATOM 1500 CG LEU A 88 8.813 11.072 -17.182 1.00 98.67 C ATOM 1501 CD1 LEU A 88 7.789 9.949 -17.121 1.00158.17 C ATOM 1502 CD2 LEU A 88 8.385 12.231 -16.293 1.00124.36 C ATOM 0 H LEU A 88 11.056 11.029 -19.036 1.00 69.60 H new ATOM 0 HA LEU A 88 11.091 12.510 -16.615 1.00 69.42 H new ATOM 0 HB2 LEU A 88 10.399 9.635 -17.306 1.00 73.41 H new ATOM 0 HB3 LEU A 88 10.175 10.318 -15.708 1.00 73.41 H new ATOM 0 HG LEU A 88 8.871 11.429 -18.210 1.00 98.67 H new ATOM 0 HD11 LEU A 88 6.812 10.331 -17.417 1.00158.17 H new ATOM 0 HD12 LEU A 88 8.086 9.148 -17.798 1.00158.17 H new ATOM 0 HD13 LEU A 88 7.734 9.562 -16.104 1.00158.17 H new ATOM 0 HD21 LEU A 88 7.399 12.581 -16.600 1.00124.36 H new ATOM 0 HD22 LEU A 88 8.345 11.898 -15.256 1.00124.36 H new ATOM 0 HD23 LEU A 88 9.104 13.045 -16.385 1.00124.36 H new ATOM 1514 N GLY A 89 13.297 10.088 -16.977 1.00 60.76 N ATOM 1515 CA GLY A 89 14.528 9.537 -16.433 1.00 61.97 C ATOM 1516 C GLY A 89 15.614 10.584 -16.302 1.00 64.68 C ATOM 1517 O GLY A 89 16.351 10.607 -15.314 1.00 65.71 O ATOM 0 H GLY A 89 13.015 9.692 -17.874 1.00 60.76 H new ATOM 0 HA2 GLY A 89 14.327 9.100 -15.455 1.00 61.97 H new ATOM 0 HA3 GLY A 89 14.879 8.731 -17.077 1.00 61.97 H new ATOM 1521 N ALA A 90 15.712 11.449 -17.311 1.00 70.37 N ATOM 1522 CA ALA A 90 16.700 12.521 -17.318 1.00 80.19 C ATOM 1523 C ALA A 90 16.474 13.478 -16.152 1.00 77.58 C ATOM 1524 O ALA A 90 17.427 13.937 -15.524 1.00 81.65 O ATOM 1525 CB ALA A 90 16.655 13.277 -18.638 1.00 95.38 C ATOM 0 H ALA A 90 15.114 11.426 -18.137 1.00 70.37 H new ATOM 0 HA ALA A 90 17.687 12.072 -17.205 1.00 80.19 H new ATOM 0 HB1 ALA A 90 17.399 14.074 -18.626 1.00 95.38 H new ATOM 0 HB2 ALA A 90 16.870 12.591 -19.458 1.00 95.38 H new ATOM 0 HB3 ALA A 90 15.664 13.708 -18.777 1.00 95.38 H new ATOM 1531 N GLU A 91 15.204 13.769 -15.865 1.00 75.77 N ATOM 1532 CA GLU A 91 14.847 14.668 -14.770 1.00 80.24 C ATOM 1533 C GLU A 91 15.253 14.065 -13.425 1.00 71.29 C ATOM 1534 O GLU A 91 15.741 14.767 -12.540 1.00 75.09 O ATOM 1535 CB GLU A 91 13.343 14.952 -14.786 1.00 90.01 C ATOM 1536 CG GLU A 91 12.898 15.818 -15.955 1.00140.26 C ATOM 1537 CD GLU A 91 11.389 15.919 -16.074 1.00229.56 C ATOM 1538 OE1 GLU A 91 10.687 15.090 -15.454 1.00365.35 O ATOM 1539 OE2 GLU A 91 10.911 16.825 -16.785 1.00381.14 O1- ATOM 0 H GLU A 91 14.406 13.394 -16.377 1.00 75.77 H new ATOM 0 HA GLU A 91 15.385 15.606 -14.906 1.00 80.24 H new ATOM 0 HB2 GLU A 91 12.804 14.005 -14.820 1.00 90.01 H new ATOM 0 HB3 GLU A 91 13.065 15.444 -13.854 1.00 90.01 H new ATOM 0 HG2 GLU A 91 13.316 16.818 -15.840 1.00140.26 H new ATOM 0 HG3 GLU A 91 13.304 15.408 -16.880 1.00140.26 H new ATOM 1546 N ILE A 92 15.041 12.758 -13.286 1.00 64.55 N ATOM 1547 CA ILE A 92 15.394 12.037 -12.065 1.00 63.22 C ATOM 1548 C ILE A 92 16.909 12.069 -11.847 1.00 60.78 C ATOM 1549 O ILE A 92 17.384 12.282 -10.730 1.00 63.24 O ATOM 1550 CB ILE A 92 14.898 10.569 -12.112 1.00 67.09 C ATOM 1551 CG1 ILE A 92 13.367 10.530 -12.073 1.00 78.70 C ATOM 1552 CG2 ILE A 92 15.476 9.756 -10.957 1.00 74.04 C ATOM 1553 CD1 ILE A 92 12.785 9.166 -12.379 1.00182.12 C ATOM 0 H ILE A 92 14.623 12.173 -14.010 1.00 64.55 H new ATOM 0 HA ILE A 92 14.900 12.536 -11.231 1.00 63.22 H new ATOM 0 HB ILE A 92 15.243 10.123 -13.045 1.00 67.09 H new ATOM 0 HG12 ILE A 92 13.029 10.846 -11.086 1.00 78.70 H new ATOM 0 HG13 ILE A 92 12.976 11.252 -12.790 1.00 78.70 H new ATOM 0 HG21 ILE A 92 15.111 8.731 -11.015 1.00 74.04 H new ATOM 0 HG22 ILE A 92 16.564 9.758 -11.019 1.00 74.04 H new ATOM 0 HG23 ILE A 92 15.166 10.198 -10.010 1.00 74.04 H new ATOM 0 HD11 ILE A 92 11.697 9.216 -12.333 1.00182.12 H new ATOM 0 HD12 ILE A 92 13.092 8.855 -13.378 1.00182.12 H new ATOM 0 HD13 ILE A 92 13.146 8.444 -11.647 1.00182.12 H new ATOM 1565 N GLY A 93 17.655 11.867 -12.932 1.00 61.35 N ATOM 1566 CA GLY A 93 19.111 11.868 -12.869 1.00 68.83 C ATOM 1567 C GLY A 93 19.699 13.218 -12.490 1.00 77.90 C ATOM 1568 O GLY A 93 20.862 13.300 -12.096 1.00 88.80 O ATOM 0 H GLY A 93 17.273 11.701 -13.863 1.00 61.35 H new ATOM 0 HA2 GLY A 93 19.436 11.122 -12.144 1.00 68.83 H new ATOM 0 HA3 GLY A 93 19.509 11.566 -13.838 1.00 68.83 H new ATOM 1572 N ARG A 94 18.904 14.279 -12.612 1.00 81.77 N ATOM 1573 CA ARG A 94 19.367 15.623 -12.275 1.00 96.44 C ATOM 1574 C ARG A 94 19.320 15.861 -10.766 1.00 95.13 C ATOM 1575 O ARG A 94 19.887 16.834 -10.266 1.00109.35 O ATOM 1576 CB ARG A 94 18.521 16.680 -12.992 1.00113.12 C ATOM 1577 CG ARG A 94 18.711 16.701 -14.501 1.00154.95 C ATOM 1578 CD ARG A 94 17.855 17.771 -15.156 1.00291.47 C ATOM 1579 NE ARG A 94 18.026 17.799 -16.606 1.00415.93 N ATOM 1580 CZ ARG A 94 17.405 18.662 -17.407 1.00711.23 C ATOM 1581 NH1 ARG A 94 16.575 19.563 -16.896 1.00998.79 N1+ ATOM 1582 NH2 ARG A 94 17.615 18.623 -18.716 1.00999.99 N ATOM 0 H ARG A 94 17.939 14.234 -12.941 1.00 81.77 H new ATOM 0 HA ARG A 94 20.402 15.708 -12.607 1.00 96.44 H new ATOM 0 HB2 ARG A 94 17.469 16.501 -12.770 1.00113.12 H new ATOM 0 HB3 ARG A 94 18.768 17.663 -12.591 1.00113.12 H new ATOM 0 HG2 ARG A 94 19.761 16.880 -14.734 1.00154.95 H new ATOM 0 HG3 ARG A 94 18.455 15.725 -14.914 1.00154.95 H new ATOM 0 HD2 ARG A 94 16.806 17.592 -14.918 1.00291.47 H new ATOM 0 HD3 ARG A 94 18.114 18.746 -14.742 1.00291.47 H new ATOM 0 HE ARG A 94 18.657 17.119 -17.029 1.00415.93 H new ATOM 0 HH11 ARG A 94 16.413 19.594 -15.889 1.00998.79 H new ATOM 0 HH12 ARG A 94 16.099 20.224 -17.510 1.00998.79 H new ATOM 0 HH21 ARG A 94 18.253 17.931 -19.110 1.00999.99 H new ATOM 0 HH22 ARG A 94 17.139 19.285 -19.329 1.00999.99 H new ATOM 1596 N ARG A 95 18.644 14.974 -10.042 1.00 86.45 N ATOM 1597 CA ARG A 95 18.541 15.102 -8.594 1.00 93.68 C ATOM 1598 C ARG A 95 19.401 14.045 -7.907 1.00 94.67 C ATOM 1599 O ARG A 95 19.106 12.852 -7.969 1.00 97.42 O ATOM 1600 CB ARG A 95 17.082 14.960 -8.152 1.00107.44 C ATOM 1601 CG ARG A 95 16.190 16.101 -8.618 1.00307.61 C ATOM 1602 CD ARG A 95 14.748 15.897 -8.181 1.00350.05 C ATOM 1603 NE ARG A 95 13.876 16.976 -8.642 1.00605.90 N ATOM 1604 CZ ARG A 95 13.720 18.132 -7.998 1.00806.78 C ATOM 1605 NH1 ARG A 95 14.365 18.354 -6.859 1.00845.08 N1+ ATOM 1606 NH2 ARG A 95 12.916 19.065 -8.495 1.00999.99 N ATOM 0 H ARG A 95 18.162 14.164 -10.432 1.00 86.45 H new ATOM 0 HA ARG A 95 18.901 16.090 -8.306 1.00 93.68 H new ATOM 0 HB2 ARG A 95 16.685 14.020 -8.535 1.00107.44 H new ATOM 0 HB3 ARG A 95 17.045 14.902 -7.064 1.00107.44 H new ATOM 0 HG2 ARG A 95 16.563 17.043 -8.216 1.00307.61 H new ATOM 0 HG3 ARG A 95 16.234 16.178 -9.704 1.00307.61 H new ATOM 0 HD2 ARG A 95 14.383 14.946 -8.569 1.00350.05 H new ATOM 0 HD3 ARG A 95 14.704 15.836 -7.094 1.00350.05 H new ATOM 0 HE ARG A 95 13.356 16.836 -9.508 1.00605.90 H new ATOM 0 HH11 ARG A 95 14.982 17.639 -6.475 1.00845.08 H new ATOM 0 HH12 ARG A 95 14.243 19.240 -6.368 1.00845.08 H new ATOM 0 HH21 ARG A 95 12.418 18.896 -9.369 1.00999.99 H new ATOM 0 HH22 ARG A 95 12.796 19.950 -8.002 1.00999.99 H new ATOM 1620 N ILE A 96 20.461 14.490 -7.243 1.00103.97 N ATOM 1621 CA ILE A 96 21.365 13.579 -6.552 1.00120.62 C ATOM 1622 C ILE A 96 21.517 13.977 -5.084 1.00135.23 C ATOM 1623 O ILE A 96 21.851 15.122 -4.775 1.00215.76 O ATOM 1624 CB ILE A 96 22.756 13.559 -7.229 1.00134.64 C ATOM 1625 CG1 ILE A 96 22.633 13.138 -8.698 1.00237.82 C ATOM 1626 CG2 ILE A 96 23.697 12.613 -6.496 1.00205.25 C ATOM 1627 CD1 ILE A 96 23.907 13.322 -9.495 1.00308.67 C ATOM 0 H ILE A 96 20.715 15.475 -7.168 1.00103.97 H new ATOM 0 HA ILE A 96 20.932 12.580 -6.608 1.00120.62 H new ATOM 0 HB ILE A 96 23.168 14.567 -7.184 1.00134.64 H new ATOM 0 HG12 ILE A 96 22.336 12.090 -8.742 1.00237.82 H new ATOM 0 HG13 ILE A 96 21.836 13.715 -9.166 1.00237.82 H new ATOM 0 HG21 ILE A 96 24.670 12.614 -6.988 1.00205.25 H new ATOM 0 HG22 ILE A 96 23.813 12.942 -5.463 1.00205.25 H new ATOM 0 HG23 ILE A 96 23.284 11.605 -6.511 1.00205.25 H new ATOM 0 HD11 ILE A 96 23.742 13.003 -10.524 1.00308.67 H new ATOM 0 HD12 ILE A 96 24.195 14.373 -9.483 1.00308.67 H new ATOM 0 HD13 ILE A 96 24.703 12.723 -9.053 1.00308.67 H new ATOM 1639 N ASP A 97 21.268 13.032 -4.180 1.00125.34 N ATOM 1640 CA ASP A 97 21.388 13.290 -2.747 1.00140.49 C ATOM 1641 C ASP A 97 22.222 12.201 -2.075 1.00116.54 C ATOM 1642 O ASP A 97 21.831 11.643 -1.047 1.00143.24 O ATOM 1643 CB ASP A 97 20.003 13.367 -2.100 1.00195.56 C ATOM 1644 CG ASP A 97 19.979 14.286 -0.895 1.00284.16 C ATOM 1645 OD1 ASP A 97 21.042 14.849 -0.553 1.00384.26 O ATOM 1646 OD2 ASP A 97 18.897 14.447 -0.293 1.00388.05 O1- ATOM 0 H ASP A 97 20.982 12.081 -4.414 1.00125.34 H new ATOM 0 HA ASP A 97 21.891 14.247 -2.612 1.00140.49 H new ATOM 0 HB2 ASP A 97 19.280 13.718 -2.836 1.00195.56 H new ATOM 0 HB3 ASP A 97 19.690 12.368 -1.798 1.00195.56 H new ATOM 1651 N MET A 98 23.374 11.908 -2.671 1.00 92.56 N ATOM 1652 CA MET A 98 24.290 10.888 -2.161 1.00 86.33 C ATOM 1653 C MET A 98 24.895 11.294 -0.819 1.00 94.07 C ATOM 1654 O MET A 98 25.122 10.449 0.049 1.00108.97 O ATOM 1655 CB MET A 98 25.396 10.617 -3.181 1.00 76.26 C ATOM 1656 CG MET A 98 24.890 9.954 -4.450 1.00134.16 C ATOM 1657 SD MET A 98 26.172 9.766 -5.702 1.00192.83 S ATOM 1658 CE MET A 98 25.200 9.173 -7.083 1.00360.57 C ATOM 0 H MET A 98 23.700 12.369 -3.520 1.00 92.56 H new ATOM 0 HA MET A 98 23.717 9.975 -2.002 1.00 86.33 H new ATOM 0 HB2 MET A 98 25.882 11.558 -3.439 1.00 76.26 H new ATOM 0 HB3 MET A 98 26.155 9.981 -2.724 1.00 76.26 H new ATOM 0 HG2 MET A 98 24.483 8.973 -4.204 1.00134.16 H new ATOM 0 HG3 MET A 98 24.072 10.545 -4.861 1.00134.16 H new ATOM 0 HE1 MET A 98 25.597 9.585 -8.011 1.00360.57 H new ATOM 0 HE2 MET A 98 25.247 8.085 -7.120 1.00360.57 H new ATOM 0 HE3 MET A 98 24.164 9.488 -6.960 1.00360.57 H new ATOM 1668 N ALA A 99 25.154 12.590 -0.656 1.00100.18 N ATOM 1669 CA ALA A 99 25.744 13.118 0.576 1.00127.82 C ATOM 1670 C ALA A 99 24.864 12.815 1.788 1.00152.91 C ATOM 1671 O ALA A 99 25.371 12.522 2.872 1.00184.23 O ATOM 1672 CB ALA A 99 25.983 14.615 0.453 1.00148.64 C ATOM 0 H ALA A 99 24.964 13.298 -1.365 1.00100.18 H new ATOM 0 HA ALA A 99 26.703 12.622 0.727 1.00127.82 H new ATOM 0 HB1 ALA A 99 26.422 14.991 1.377 1.00148.64 H new ATOM 0 HB2 ALA A 99 26.664 14.808 -0.376 1.00148.64 H new ATOM 0 HB3 ALA A 99 25.035 15.121 0.270 1.00148.64 H new ATOM 1678 N TYR A 100 23.549 12.898 1.597 1.00156.72 N ATOM 1679 CA TYR A 100 22.591 12.618 2.667 1.00204.64 C ATOM 1680 C TYR A 100 22.769 11.190 3.181 1.00199.88 C ATOM 1681 O TYR A 100 22.820 10.962 4.390 1.00224.93 O ATOM 1682 CB TYR A 100 21.156 12.829 2.167 1.00239.39 C ATOM 1683 CG TYR A 100 20.091 12.485 3.188 1.00453.50 C ATOM 1684 CD1 TYR A 100 19.816 13.336 4.251 1.00583.16 C ATOM 1685 CD2 TYR A 100 19.354 11.310 3.082 1.00853.43 C ATOM 1686 CE1 TYR A 100 18.842 13.026 5.181 1.00999.99 C ATOM 1687 CE2 TYR A 100 18.379 10.994 4.008 1.00999.99 C ATOM 1688 CZ TYR A 100 18.127 11.854 5.055 1.00999.99 C ATOM 1689 OH TYR A 100 17.155 11.543 5.978 1.00999.99 O ATOM 0 H TYR A 100 23.120 13.158 0.709 1.00156.72 H new ATOM 0 HA TYR A 100 22.778 13.309 3.489 1.00204.64 H new ATOM 0 HB2 TYR A 100 21.036 13.870 1.868 1.00239.39 H new ATOM 0 HB3 TYR A 100 21.000 12.222 1.275 1.00239.39 H new ATOM 0 HD1 TYR A 100 20.373 14.256 4.352 1.00583.16 H new ATOM 0 HD2 TYR A 100 19.547 10.634 2.262 1.00853.43 H new ATOM 0 HE1 TYR A 100 18.642 13.698 6.002 1.00999.99 H new ATOM 0 HE2 TYR A 100 17.817 10.077 3.912 1.00999.99 H new ATOM 0 HH TYR A 100 16.745 10.684 5.744 1.00999.99 H new ATOM 1699 N PHE A 101 22.862 10.240 2.252 1.00177.77 N ATOM 1700 CA PHE A 101 23.038 8.829 2.593 1.00182.30 C ATOM 1701 C PHE A 101 24.309 8.612 3.418 1.00180.18 C ATOM 1702 O PHE A 101 24.275 7.945 4.454 1.00202.85 O ATOM 1703 CB PHE A 101 23.089 7.983 1.313 1.00169.69 C ATOM 1704 CG PHE A 101 23.338 6.519 1.551 1.00212.19 C ATOM 1705 CD1 PHE A 101 22.313 5.687 1.975 1.00237.60 C ATOM 1706 CD2 PHE A 101 24.597 5.973 1.347 1.00301.02 C ATOM 1707 CE1 PHE A 101 22.539 4.341 2.191 1.00297.03 C ATOM 1708 CE2 PHE A 101 24.828 4.629 1.564 1.00374.13 C ATOM 1709 CZ PHE A 101 23.797 3.812 1.987 1.00345.20 C ATOM 0 H PHE A 101 22.818 10.424 1.250 1.00177.77 H new ATOM 0 HA PHE A 101 22.187 8.517 3.198 1.00182.30 H new ATOM 0 HB2 PHE A 101 22.147 8.097 0.778 1.00169.69 H new ATOM 0 HB3 PHE A 101 23.873 8.373 0.664 1.00169.69 H new ATOM 0 HD1 PHE A 101 21.327 6.096 2.138 1.00237.60 H new ATOM 0 HD2 PHE A 101 25.406 6.607 1.015 1.00301.02 H new ATOM 0 HE1 PHE A 101 21.731 3.703 2.519 1.00297.03 H new ATOM 0 HE2 PHE A 101 25.813 4.217 1.403 1.00374.13 H new ATOM 0 HZ PHE A 101 23.976 2.761 2.158 1.00345.20 H new ATOM 1719 N TYR A 102 25.424 9.182 2.960 1.00164.80 N ATOM 1720 CA TYR A 102 26.696 9.045 3.669 1.00173.79 C ATOM 1721 C TYR A 102 26.619 9.676 5.057 1.00200.84 C ATOM 1722 O TYR A 102 27.122 9.116 6.033 1.00227.37 O ATOM 1723 CB TYR A 102 27.832 9.697 2.872 1.00171.66 C ATOM 1724 CG TYR A 102 28.316 8.878 1.693 1.00220.86 C ATOM 1725 CD1 TYR A 102 27.697 8.971 0.452 1.00393.52 C ATOM 1726 CD2 TYR A 102 29.399 8.017 1.822 1.00371.04 C ATOM 1727 CE1 TYR A 102 28.144 8.231 -0.625 1.00693.62 C ATOM 1728 CE2 TYR A 102 29.849 7.273 0.748 1.00656.65 C ATOM 1729 CZ TYR A 102 29.219 7.384 -0.472 1.00806.00 C ATOM 1730 OH TYR A 102 29.669 6.646 -1.543 1.00999.99 O ATOM 0 H TYR A 102 25.472 9.739 2.107 1.00164.80 H new ATOM 0 HA TYR A 102 26.901 7.980 3.778 1.00173.79 H new ATOM 0 HB2 TYR A 102 27.495 10.669 2.511 1.00171.66 H new ATOM 0 HB3 TYR A 102 28.672 9.879 3.542 1.00171.66 H new ATOM 0 HD1 TYR A 102 26.853 9.633 0.328 1.00393.52 H new ATOM 0 HD2 TYR A 102 29.897 7.928 2.776 1.00371.04 H new ATOM 0 HE1 TYR A 102 27.653 8.316 -1.583 1.00693.62 H new ATOM 0 HE2 TYR A 102 30.691 6.607 0.865 1.00656.65 H new ATOM 0 HH TYR A 102 30.633 6.494 -1.453 1.00999.99 H new ATOM 1740 N ASP A 103 25.982 10.844 5.135 1.00204.76 N ATOM 1741 CA ASP A 103 25.824 11.555 6.404 1.00242.28 C ATOM 1742 C ASP A 103 24.967 10.756 7.382 1.00266.98 C ATOM 1743 O ASP A 103 25.290 10.657 8.565 1.00300.46 O ATOM 1744 CB ASP A 103 25.196 12.932 6.171 1.00257.95 C ATOM 1745 CG ASP A 103 25.122 13.755 7.441 1.00399.17 C ATOM 1746 OD1 ASP A 103 26.190 14.128 7.970 1.00558.87 O ATOM 1747 OD2 ASP A 103 23.995 14.032 7.904 1.00540.69 O1- ATOM 0 H ASP A 103 25.566 11.319 4.334 1.00204.76 H new ATOM 0 HA ASP A 103 26.816 11.682 6.839 1.00242.28 H new ATOM 0 HB2 ASP A 103 25.778 13.472 5.424 1.00257.95 H new ATOM 0 HB3 ASP A 103 24.193 12.807 5.763 1.00257.95 H new ATOM 1752 N ALA A 104 23.870 10.190 6.876 1.00260.90 N ATOM 1753 CA ALA A 104 22.955 9.399 7.696 1.00294.90 C ATOM 1754 C ALA A 104 23.643 8.170 8.285 1.00294.01 C ATOM 1755 O ALA A 104 23.428 7.831 9.450 1.00332.85 O ATOM 1756 CB ALA A 104 21.739 8.984 6.881 1.00298.30 C ATOM 0 H ALA A 104 23.594 10.266 5.897 1.00260.90 H new ATOM 0 HA ALA A 104 22.631 10.026 8.527 1.00294.90 H new ATOM 0 HB1 ALA A 104 21.066 8.395 7.505 1.00298.30 H new ATOM 0 HB2 ALA A 104 21.219 9.873 6.525 1.00298.30 H new ATOM 0 HB3 ALA A 104 22.060 8.386 6.028 1.00298.30 H new ATOM 1762 N LEU A 105 24.470 7.506 7.475 1.00259.78 N ATOM 1763 CA LEU A 105 25.185 6.314 7.928 1.00264.87 C ATOM 1764 C LEU A 105 26.157 6.652 9.053 1.00279.27 C ATOM 1765 O LEU A 105 26.187 5.967 10.076 1.00303.74 O ATOM 1766 CB LEU A 105 25.934 5.656 6.766 1.00241.53 C ATOM 1767 CG LEU A 105 25.240 4.436 6.150 1.00307.19 C ATOM 1768 CD1 LEU A 105 23.883 4.818 5.575 1.00385.85 C ATOM 1769 CD2 LEU A 105 26.119 3.812 5.076 1.00472.21 C ATOM 0 H LEU A 105 24.660 7.772 6.509 1.00259.78 H new ATOM 0 HA LEU A 105 24.446 5.610 8.311 1.00264.87 H new ATOM 0 HB2 LEU A 105 26.086 6.401 5.985 1.00241.53 H new ATOM 0 HB3 LEU A 105 26.921 5.354 7.115 1.00241.53 H new ATOM 0 HG LEU A 105 25.079 3.700 6.938 1.00307.19 H new ATOM 0 HD11 LEU A 105 23.409 3.936 5.143 1.00385.85 H new ATOM 0 HD12 LEU A 105 23.251 5.218 6.368 1.00385.85 H new ATOM 0 HD13 LEU A 105 24.016 5.574 4.801 1.00385.85 H new ATOM 0 HD21 LEU A 105 25.612 2.947 4.648 1.00472.21 H new ATOM 0 HD22 LEU A 105 26.311 4.544 4.292 1.00472.21 H new ATOM 0 HD23 LEU A 105 27.065 3.497 5.517 1.00472.21 H new ATOM 1781 N LYS A 106 26.959 7.698 8.856 1.00273.60 N ATOM 1782 CA LYS A 106 27.921 8.125 9.868 1.00299.72 C ATOM 1783 C LYS A 106 27.216 8.596 11.140 1.00347.63 C ATOM 1784 O LYS A 106 27.667 8.314 12.248 1.00382.37 O ATOM 1785 CB LYS A 106 28.806 9.249 9.320 1.00300.16 C ATOM 1786 CG LYS A 106 29.770 8.794 8.235 1.00356.49 C ATOM 1787 CD LYS A 106 30.619 9.946 7.724 1.00366.69 C ATOM 1788 CE LYS A 106 31.586 9.489 6.644 1.00569.73 C ATOM 1789 NZ LYS A 106 32.418 10.612 6.130 1.00821.44 N1+ ATOM 0 H LYS A 106 26.961 8.263 8.007 1.00273.60 H new ATOM 0 HA LYS A 106 28.543 7.266 10.119 1.00299.72 H new ATOM 0 HB2 LYS A 106 28.170 10.039 8.920 1.00300.16 H new ATOM 0 HB3 LYS A 106 29.376 9.684 10.141 1.00300.16 H new ATOM 0 HG2 LYS A 106 30.417 8.010 8.628 1.00356.49 H new ATOM 0 HG3 LYS A 106 29.209 8.359 7.408 1.00356.49 H new ATOM 0 HD2 LYS A 106 29.972 10.728 7.327 1.00366.69 H new ATOM 0 HD3 LYS A 106 31.177 10.383 8.552 1.00366.69 H new ATOM 0 HE2 LYS A 106 32.235 8.710 7.044 1.00569.73 H new ATOM 0 HE3 LYS A 106 31.027 9.045 5.820 1.00569.73 H new ATOM 0 HZ1 LYS A 106 33.064 10.258 5.396 1.00821.44 H new ATOM 0 HZ2 LYS A 106 31.801 11.344 5.725 1.00821.44 H new ATOM 0 HZ3 LYS A 106 32.972 11.019 6.910 1.00821.44 H new ATOM 1803 N ASP A 107 26.109 9.320 10.966 1.00359.01 N ATOM 1804 CA ASP A 107 25.328 9.837 12.093 1.00416.94 C ATOM 1805 C ASP A 107 24.836 8.716 13.010 1.00439.86 C ATOM 1806 O ASP A 107 24.913 8.827 14.232 1.00493.04 O ATOM 1807 CB ASP A 107 24.132 10.646 11.584 1.00429.68 C ATOM 1808 CG ASP A 107 23.337 11.278 12.709 1.00566.91 C ATOM 1809 OD1 ASP A 107 23.880 12.174 13.389 1.00638.90 O ATOM 1810 OD2 ASP A 107 22.170 10.879 12.907 1.00746.24 O1- ATOM 0 H ASP A 107 25.731 9.563 10.050 1.00359.01 H new ATOM 0 HA ASP A 107 25.987 10.482 12.674 1.00416.94 H new ATOM 0 HB2 ASP A 107 24.486 11.427 10.911 1.00429.68 H new ATOM 0 HB3 ASP A 107 23.479 9.996 11.003 1.00429.68 H new ATOM 1815 N LYS A 108 24.322 7.643 12.413 1.00410.03 N ATOM 1816 CA LYS A 108 23.804 6.515 13.186 1.00437.60 C ATOM 1817 C LYS A 108 24.904 5.513 13.540 1.00427.09 C ATOM 1818 O LYS A 108 24.689 4.625 14.366 1.00453.93 O ATOM 1819 CB LYS A 108 22.693 5.810 12.405 1.00433.31 C ATOM 1820 CG LYS A 108 21.466 6.677 12.171 1.00459.99 C ATOM 1821 CD LYS A 108 20.392 5.929 11.397 1.00625.88 C ATOM 1822 CE LYS A 108 19.185 6.811 11.126 1.00809.13 C ATOM 1823 NZ LYS A 108 18.525 7.253 12.385 1.00999.99 N1+ ATOM 0 H LYS A 108 24.253 7.530 11.402 1.00410.03 H new ATOM 0 HA LYS A 108 23.403 6.913 14.118 1.00437.60 H new ATOM 0 HB2 LYS A 108 23.087 5.486 11.442 1.00433.31 H new ATOM 0 HB3 LYS A 108 22.395 4.912 12.946 1.00433.31 H new ATOM 0 HG2 LYS A 108 21.063 7.005 13.129 1.00459.99 H new ATOM 0 HG3 LYS A 108 21.753 7.574 11.622 1.00459.99 H new ATOM 0 HD2 LYS A 108 20.804 5.574 10.452 1.00625.88 H new ATOM 0 HD3 LYS A 108 20.082 5.049 11.961 1.00625.88 H new ATOM 0 HE2 LYS A 108 19.495 7.685 10.553 1.00809.13 H new ATOM 0 HE3 LYS A 108 18.468 6.266 10.512 1.00809.13 H new ATOM 0 HZ1 LYS A 108 17.617 7.707 12.160 1.00999.99 H new ATOM 0 HZ2 LYS A 108 18.358 6.429 12.997 1.00999.99 H new ATOM 0 HZ3 LYS A 108 19.139 7.932 12.879 1.00999.99 H new ATOM 1837 N ASN A 109 26.078 5.673 12.920 1.00397.86 N ATOM 1838 CA ASN A 109 27.225 4.784 13.152 1.00395.56 C ATOM 1839 C ASN A 109 26.865 3.318 12.908 1.00379.75 C ATOM 1840 O ASN A 109 27.304 2.431 13.641 1.00398.92 O ATOM 1841 CB ASN A 109 27.769 4.954 14.577 1.00454.81 C ATOM 1842 CG ASN A 109 28.369 6.323 14.820 1.00493.28 C ATOM 1843 OD1 ASN A 109 29.485 6.609 14.385 1.00466.98 O ATOM 1844 ND2 ASN A 109 27.635 7.181 15.518 1.00675.44 N ATOM 0 H ASN A 109 26.261 6.417 12.247 1.00397.86 H new ATOM 0 HA ASN A 109 27.998 5.068 12.438 1.00395.56 H new ATOM 0 HB2 ASN A 109 26.963 4.784 15.291 1.00454.81 H new ATOM 0 HB3 ASN A 109 28.526 4.193 14.765 1.00454.81 H new ATOM 0 HD21 ASN A 109 27.991 8.117 15.712 1.00675.44 H new ATOM 0 HD22 ASN A 109 26.715 6.904 15.860 1.00675.44 H new ATOM 1851 N MET A 110 26.076 3.064 11.867 1.00357.57 N ATOM 1852 CA MET A 110 25.663 1.703 11.546 1.00356.11 C ATOM 1853 C MET A 110 26.331 1.203 10.269 1.00317.66 C ATOM 1854 O MET A 110 26.011 1.657 9.168 1.00347.18 O ATOM 1855 CB MET A 110 24.140 1.625 11.398 1.00376.47 C ATOM 1856 CG MET A 110 23.379 1.983 12.666 1.00500.58 C ATOM 1857 SD MET A 110 23.809 0.919 14.059 1.00891.58 S ATOM 1858 CE MET A 110 23.139 -0.650 13.514 1.00999.99 C ATOM 0 H MET A 110 25.713 3.778 11.236 1.00357.57 H new ATOM 0 HA MET A 110 25.978 1.063 12.370 1.00356.11 H new ATOM 0 HB2 MET A 110 23.828 2.295 10.597 1.00376.47 H new ATOM 0 HB3 MET A 110 23.865 0.615 11.094 1.00376.47 H new ATOM 0 HG2 MET A 110 23.586 3.020 12.929 1.00500.58 H new ATOM 0 HG3 MET A 110 22.308 1.910 12.475 1.00500.58 H new ATOM 0 HE1 MET A 110 23.118 -1.347 14.352 1.00999.99 H new ATOM 0 HE2 MET A 110 22.126 -0.503 13.139 1.00999.99 H new ATOM 0 HE3 MET A 110 23.765 -1.056 12.719 1.00999.99 H new ATOM 1868 N ILE A 111 27.264 0.271 10.424 1.00267.60 N ATOM 1869 CA ILE A 111 27.967 -0.309 9.286 1.00237.97 C ATOM 1870 C ILE A 111 27.278 -1.603 8.845 1.00208.35 C ATOM 1871 O ILE A 111 27.157 -2.543 9.634 1.00195.51 O ATOM 1872 CB ILE A 111 29.449 -0.600 9.626 1.00229.14 C ATOM 1873 CG1 ILE A 111 30.170 0.692 10.033 1.00282.61 C ATOM 1874 CG2 ILE A 111 30.161 -1.257 8.447 1.00210.79 C ATOM 1875 CD1 ILE A 111 30.184 1.756 8.952 1.00390.38 C ATOM 0 H ILE A 111 27.552 -0.100 11.329 1.00267.60 H new ATOM 0 HA ILE A 111 27.938 0.416 8.473 1.00237.97 H new ATOM 0 HB ILE A 111 29.473 -1.293 10.467 1.00229.14 H new ATOM 0 HG12 ILE A 111 29.690 1.099 10.923 1.00282.61 H new ATOM 0 HG13 ILE A 111 31.198 0.452 10.306 1.00282.61 H new ATOM 0 HG21 ILE A 111 31.200 -1.451 8.712 1.00210.79 H new ATOM 0 HG22 ILE A 111 29.667 -2.197 8.202 1.00210.79 H new ATOM 0 HG23 ILE A 111 30.124 -0.593 7.584 1.00210.79 H new ATOM 0 HD11 ILE A 111 30.711 2.638 9.316 1.00390.38 H new ATOM 0 HD12 ILE A 111 30.691 1.370 8.068 1.00390.38 H new ATOM 0 HD13 ILE A 111 29.160 2.026 8.694 1.00390.38 H new ATOM 1887 N PRO A 112 26.801 -1.663 7.587 1.00213.02 N ATOM 1888 CA PRO A 112 26.125 -2.855 7.061 1.00205.62 C ATOM 1889 C PRO A 112 27.081 -4.028 6.840 1.00166.01 C ATOM 1890 O PRO A 112 28.246 -3.840 6.489 1.00157.37 O ATOM 1891 CB PRO A 112 25.547 -2.370 5.728 1.00242.33 C ATOM 1892 CG PRO A 112 26.444 -1.255 5.313 1.00241.94 C ATOM 1893 CD PRO A 112 26.876 -0.579 6.586 1.00243.11 C ATOM 0 HA PRO A 112 25.376 -3.237 7.755 1.00205.62 H new ATOM 0 HB2 PRO A 112 25.538 -3.168 4.986 1.00242.33 H new ATOM 0 HB3 PRO A 112 24.518 -2.029 5.843 1.00242.33 H new ATOM 0 HG2 PRO A 112 27.304 -1.631 4.759 1.00241.94 H new ATOM 0 HG3 PRO A 112 25.923 -0.557 4.658 1.00241.94 H new ATOM 0 HD2 PRO A 112 27.885 -0.175 6.505 1.00243.11 H new ATOM 0 HD3 PRO A 112 26.220 0.252 6.843 1.00243.11 H new ATOM 1901 N LYS A 113 26.579 -5.241 7.051 1.00158.33 N ATOM 1902 CA LYS A 113 27.383 -6.444 6.870 1.00137.17 C ATOM 1903 C LYS A 113 27.371 -6.886 5.409 1.00131.14 C ATOM 1904 O LYS A 113 26.352 -6.770 4.728 1.00143.93 O ATOM 1905 CB LYS A 113 26.862 -7.573 7.763 1.00150.89 C ATOM 1906 CG LYS A 113 26.981 -7.279 9.251 1.00177.84 C ATOM 1907 CD LYS A 113 26.344 -8.374 10.095 1.00242.64 C ATOM 1908 CE LYS A 113 27.133 -9.673 10.022 1.00406.97 C ATOM 1909 NZ LYS A 113 26.560 -10.722 10.908 1.00618.10 N1+ ATOM 0 H LYS A 113 25.619 -5.416 7.348 1.00158.33 H new ATOM 0 HA LYS A 113 28.410 -6.213 7.155 1.00137.17 H new ATOM 0 HB2 LYS A 113 25.816 -7.762 7.521 1.00150.89 H new ATOM 0 HB3 LYS A 113 27.412 -8.487 7.537 1.00150.89 H new ATOM 0 HG2 LYS A 113 28.033 -7.179 9.519 1.00177.84 H new ATOM 0 HG3 LYS A 113 26.503 -6.325 9.473 1.00177.84 H new ATOM 0 HD2 LYS A 113 26.282 -8.044 11.132 1.00242.64 H new ATOM 0 HD3 LYS A 113 25.323 -8.549 9.754 1.00242.64 H new ATOM 0 HE2 LYS A 113 27.144 -10.033 8.993 1.00406.97 H new ATOM 0 HE3 LYS A 113 28.169 -9.485 10.305 1.00406.97 H new ATOM 0 HZ1 LYS A 113 27.126 -11.591 10.829 1.00618.10 H new ATOM 0 HZ2 LYS A 113 26.572 -10.389 11.893 1.00618.10 H new ATOM 0 HZ3 LYS A 113 25.580 -10.921 10.622 1.00618.10 H new ATOM 1923 N TYR A 114 28.512 -7.373 4.929 1.00131.35 N ATOM 1924 CA TYR A 114 28.626 -7.836 3.552 1.00145.33 C ATOM 1925 C TYR A 114 27.823 -9.119 3.338 1.00168.40 C ATOM 1926 O TYR A 114 28.187 -10.183 3.843 1.00230.26 O ATOM 1927 CB TYR A 114 30.097 -8.067 3.190 1.00181.27 C ATOM 1928 CG TYR A 114 30.320 -8.443 1.742 1.00500.22 C ATOM 1929 CD1 TYR A 114 30.242 -7.486 0.736 1.00731.83 C ATOM 1930 CD2 TYR A 114 30.619 -9.751 1.380 1.00947.01 C ATOM 1931 CE1 TYR A 114 30.451 -7.822 -0.586 1.00999.99 C ATOM 1932 CE2 TYR A 114 30.828 -10.094 0.058 1.00999.99 C ATOM 1933 CZ TYR A 114 30.744 -9.128 -0.920 1.00999.99 C ATOM 1934 OH TYR A 114 30.957 -9.466 -2.235 1.00999.99 O ATOM 0 H TYR A 114 29.370 -7.457 5.474 1.00131.35 H new ATOM 0 HA TYR A 114 28.217 -7.065 2.899 1.00145.33 H new ATOM 0 HB2 TYR A 114 30.662 -7.161 3.411 1.00181.27 H new ATOM 0 HB3 TYR A 114 30.498 -8.856 3.826 1.00181.27 H new ATOM 0 HD1 TYR A 114 30.014 -6.462 0.994 1.00731.83 H new ATOM 0 HD2 TYR A 114 30.689 -10.511 2.144 1.00947.01 H new ATOM 0 HE1 TYR A 114 30.386 -7.067 -1.355 1.00999.99 H new ATOM 0 HE2 TYR A 114 31.056 -11.116 -0.207 1.00999.99 H new ATOM 0 HH TYR A 114 30.407 -8.896 -2.812 1.00999.99 H new ATOM 1944 N LEU A 115 26.728 -9.014 2.594 1.00153.63 N ATOM 1945 CA LEU A 115 25.886 -10.171 2.306 1.00200.29 C ATOM 1946 C LEU A 115 26.200 -10.747 0.927 1.00200.92 C ATOM 1947 O LEU A 115 26.173 -10.023 -0.070 1.00160.68 O ATOM 1948 CB LEU A 115 24.399 -9.801 2.386 1.00229.55 C ATOM 1949 CG LEU A 115 23.707 -10.118 3.717 1.00303.77 C ATOM 1950 CD1 LEU A 115 24.329 -9.330 4.859 1.00415.25 C ATOM 1951 CD2 LEU A 115 22.217 -9.828 3.621 1.00397.52 C ATOM 0 H LEU A 115 26.402 -8.141 2.179 1.00153.63 H new ATOM 0 HA LEU A 115 26.101 -10.928 3.060 1.00200.29 H new ATOM 0 HB2 LEU A 115 24.298 -8.734 2.190 1.00229.55 H new ATOM 0 HB3 LEU A 115 23.870 -10.323 1.589 1.00229.55 H new ATOM 0 HG LEU A 115 23.845 -11.179 3.926 1.00303.77 H new ATOM 0 HD11 LEU A 115 23.818 -9.575 5.790 1.00415.25 H new ATOM 0 HD12 LEU A 115 25.385 -9.587 4.946 1.00415.25 H new ATOM 0 HD13 LEU A 115 24.230 -8.263 4.661 1.00415.25 H new ATOM 0 HD21 LEU A 115 21.739 -10.058 4.573 1.00397.52 H new ATOM 0 HD22 LEU A 115 22.066 -8.775 3.384 1.00397.52 H new ATOM 0 HD23 LEU A 115 21.776 -10.443 2.836 1.00397.52 H new ATOM 1963 N PRO A 116 26.503 -12.061 0.854 1.00281.30 N ATOM 1964 CA PRO A 116 26.804 -12.748 -0.417 1.00320.12 C ATOM 1965 C PRO A 116 25.670 -12.614 -1.433 1.00263.33 C ATOM 1966 O PRO A 116 25.905 -12.567 -2.642 1.00247.55 O ATOM 1967 CB PRO A 116 26.969 -14.210 0.006 1.00469.15 C ATOM 1968 CG PRO A 116 27.378 -14.136 1.434 1.00529.15 C ATOM 1969 CD PRO A 116 26.608 -12.981 2.005 1.00382.32 C ATOM 0 HA PRO A 116 27.680 -12.328 -0.911 1.00320.12 H new ATOM 0 HB2 PRO A 116 26.039 -14.766 -0.113 1.00469.15 H new ATOM 0 HB3 PRO A 116 27.722 -14.716 -0.598 1.00469.15 H new ATOM 0 HG2 PRO A 116 27.145 -15.062 1.959 1.00529.15 H new ATOM 0 HG3 PRO A 116 28.452 -13.978 1.528 1.00529.15 H new ATOM 0 HD2 PRO A 116 25.627 -13.288 2.369 1.00382.32 H new ATOM 0 HD3 PRO A 116 27.130 -12.522 2.844 1.00382.32 H new ATOM 1977 N TYR A 117 24.440 -12.560 -0.924 1.00266.45 N ATOM 1978 CA TYR A 117 23.251 -12.427 -1.763 1.00243.82 C ATOM 1979 C TYR A 117 23.290 -11.147 -2.597 1.00155.14 C ATOM 1980 O TYR A 117 22.986 -11.173 -3.791 1.00146.85 O ATOM 1981 CB TYR A 117 21.977 -12.465 -0.913 1.00309.31 C ATOM 1982 CG TYR A 117 20.721 -12.224 -1.719 1.00328.26 C ATOM 1983 CD1 TYR A 117 20.294 -13.151 -2.660 1.00407.74 C ATOM 1984 CD2 TYR A 117 19.971 -11.067 -1.549 1.00341.89 C ATOM 1985 CE1 TYR A 117 19.154 -12.933 -3.407 1.00458.99 C ATOM 1986 CE2 TYR A 117 18.830 -10.844 -2.293 1.00394.67 C ATOM 1987 CZ TYR A 117 18.424 -11.779 -3.220 1.00432.02 C ATOM 1988 OH TYR A 117 17.288 -11.559 -3.962 1.00516.88 O ATOM 0 H TYR A 117 24.241 -12.607 0.075 1.00266.45 H new ATOM 0 HA TYR A 117 23.242 -13.275 -2.448 1.00243.82 H new ATOM 0 HB2 TYR A 117 21.905 -13.434 -0.420 1.00309.31 H new ATOM 0 HB3 TYR A 117 22.048 -11.712 -0.128 1.00309.31 H new ATOM 0 HD1 TYR A 117 20.863 -14.057 -2.810 1.00407.74 H new ATOM 0 HD2 TYR A 117 20.285 -10.331 -0.824 1.00341.89 H new ATOM 0 HE1 TYR A 117 18.835 -13.664 -4.135 1.00458.99 H new ATOM 0 HE2 TYR A 117 18.257 -9.940 -2.149 1.00394.67 H new ATOM 0 HH TYR A 117 16.892 -10.700 -3.706 1.00516.88 H new ATOM 1998 N MET A 118 23.655 -10.029 -1.966 1.00124.23 N ATOM 1999 CA MET A 118 23.717 -8.748 -2.666 1.00103.17 C ATOM 2000 C MET A 118 24.714 -8.823 -3.816 1.00 96.18 C ATOM 2001 O MET A 118 24.455 -8.312 -4.908 1.00101.18 O ATOM 2002 CB MET A 118 24.122 -7.624 -1.707 1.00134.95 C ATOM 2003 CG MET A 118 23.058 -7.279 -0.673 1.00325.51 C ATOM 2004 SD MET A 118 23.448 -5.777 0.250 1.00566.08 S ATOM 2005 CE MET A 118 24.830 -6.326 1.246 1.00914.60 C ATOM 0 H MET A 118 23.910 -9.986 -0.979 1.00124.23 H new ATOM 0 HA MET A 118 22.725 -8.530 -3.063 1.00103.17 H new ATOM 0 HB2 MET A 118 25.037 -7.914 -1.190 1.00134.95 H new ATOM 0 HB3 MET A 118 24.353 -6.731 -2.287 1.00134.95 H new ATOM 0 HG2 MET A 118 22.098 -7.155 -1.173 1.00325.51 H new ATOM 0 HG3 MET A 118 22.950 -8.111 0.023 1.00325.51 H new ATOM 0 HE1 MET A 118 25.596 -5.551 1.265 1.00914.60 H new ATOM 0 HE2 MET A 118 24.490 -6.525 2.262 1.00914.60 H new ATOM 0 HE3 MET A 118 25.247 -7.238 0.818 1.00914.60 H new ATOM 2015 N GLU A 119 25.846 -9.479 -3.565 1.00117.85 N ATOM 2016 CA GLU A 119 26.881 -9.653 -4.578 1.00163.81 C ATOM 2017 C GLU A 119 26.324 -10.431 -5.770 1.00162.83 C ATOM 2018 O GLU A 119 26.579 -10.087 -6.925 1.00192.60 O ATOM 2019 CB GLU A 119 28.087 -10.393 -3.981 1.00231.37 C ATOM 2020 CG GLU A 119 29.244 -10.596 -4.955 1.00339.17 C ATOM 2021 CD GLU A 119 29.931 -9.300 -5.343 1.00455.50 C ATOM 2022 OE1 GLU A 119 29.762 -8.294 -4.616 1.00457.83 O ATOM 2023 OE2 GLU A 119 30.647 -9.292 -6.365 1.00675.31 O1- ATOM 0 H GLU A 119 26.069 -9.900 -2.663 1.00117.85 H new ATOM 0 HA GLU A 119 27.206 -8.671 -4.920 1.00163.81 H new ATOM 0 HB2 GLU A 119 28.449 -9.836 -3.117 1.00231.37 H new ATOM 0 HB3 GLU A 119 27.758 -11.367 -3.618 1.00231.37 H new ATOM 0 HG2 GLU A 119 29.976 -11.267 -4.506 1.00339.17 H new ATOM 0 HG3 GLU A 119 28.872 -11.086 -5.855 1.00339.17 H new ATOM 2030 N GLU A 120 25.558 -11.483 -5.471 1.00159.60 N ATOM 2031 CA GLU A 120 24.949 -12.322 -6.502 1.00190.47 C ATOM 2032 C GLU A 120 23.987 -11.510 -7.371 1.00143.38 C ATOM 2033 O GLU A 120 23.999 -11.629 -8.595 1.00164.78 O ATOM 2034 CB GLU A 120 24.210 -13.497 -5.851 1.00249.42 C ATOM 2035 CG GLU A 120 23.582 -14.462 -6.848 1.00389.00 C ATOM 2036 CD GLU A 120 22.880 -15.626 -6.174 1.00621.93 C ATOM 2037 OE1 GLU A 120 22.871 -15.676 -4.926 1.00703.99 O ATOM 2038 OE2 GLU A 120 22.338 -16.488 -6.896 1.00900.95 O1- ATOM 0 H GLU A 120 25.345 -11.774 -4.517 1.00159.60 H new ATOM 0 HA GLU A 120 25.742 -12.708 -7.143 1.00190.47 H new ATOM 0 HB2 GLU A 120 24.908 -14.047 -5.219 1.00249.42 H new ATOM 0 HB3 GLU A 120 23.429 -13.106 -5.199 1.00249.42 H new ATOM 0 HG2 GLU A 120 22.867 -13.922 -7.469 1.00389.00 H new ATOM 0 HG3 GLU A 120 24.356 -14.846 -7.513 1.00389.00 H new ATOM 2045 N ILE A 121 23.157 -10.687 -6.728 1.00104.94 N ATOM 2046 CA ILE A 121 22.199 -9.844 -7.445 1.00 94.04 C ATOM 2047 C ILE A 121 22.910 -8.859 -8.377 1.00 94.85 C ATOM 2048 O ILE A 121 22.493 -8.672 -9.520 1.00105.59 O ATOM 2049 CB ILE A 121 21.287 -9.071 -6.460 1.00103.27 C ATOM 2050 CG1 ILE A 121 20.396 -10.053 -5.695 1.00190.31 C ATOM 2051 CG2 ILE A 121 20.434 -8.040 -7.192 1.00158.01 C ATOM 2052 CD1 ILE A 121 19.498 -10.883 -6.591 1.00300.73 C ATOM 0 H ILE A 121 23.129 -10.586 -5.713 1.00104.94 H new ATOM 0 HA ILE A 121 21.579 -10.506 -8.049 1.00 94.04 H new ATOM 0 HB ILE A 121 21.922 -8.537 -5.752 1.00103.27 H new ATOM 0 HG12 ILE A 121 21.026 -10.721 -5.108 1.00190.31 H new ATOM 0 HG13 ILE A 121 19.778 -9.497 -4.990 1.00190.31 H new ATOM 0 HG21 ILE A 121 19.804 -7.513 -6.475 1.00158.01 H new ATOM 0 HG22 ILE A 121 21.082 -7.325 -7.699 1.00158.01 H new ATOM 0 HG23 ILE A 121 19.805 -8.543 -7.926 1.00158.01 H new ATOM 0 HD11 ILE A 121 18.896 -11.556 -5.980 1.00300.73 H new ATOM 0 HD12 ILE A 121 18.842 -10.224 -7.160 1.00300.73 H new ATOM 0 HD13 ILE A 121 20.110 -11.467 -7.279 1.00300.73 H new ATOM 2064 N ASN A 122 23.981 -8.235 -7.886 1.00110.64 N ATOM 2065 CA ASN A 122 24.746 -7.276 -8.688 1.00161.78 C ATOM 2066 C ASN A 122 25.352 -7.939 -9.926 1.00194.23 C ATOM 2067 O ASN A 122 25.413 -7.333 -10.995 1.00241.72 O ATOM 2068 CB ASN A 122 25.857 -6.624 -7.855 1.00211.29 C ATOM 2069 CG ASN A 122 25.322 -5.649 -6.824 1.00326.65 C ATOM 2070 OD1 ASN A 122 25.660 -5.726 -5.644 1.00450.08 O ATOM 2071 ND2 ASN A 122 24.483 -4.721 -7.262 1.00595.29 N ATOM 0 H ASN A 122 24.339 -8.375 -6.941 1.00110.64 H new ATOM 0 HA ASN A 122 24.049 -6.504 -9.015 1.00161.78 H new ATOM 0 HB2 ASN A 122 26.430 -7.401 -7.350 1.00211.29 H new ATOM 0 HB3 ASN A 122 26.545 -6.102 -8.520 1.00211.29 H new ATOM 0 HD21 ASN A 122 24.094 -4.038 -6.612 1.00595.29 H new ATOM 0 HD22 ASN A 122 24.227 -4.690 -8.249 1.00595.29 H new ATOM 2078 N ARG A 123 25.823 -9.174 -9.764 1.00196.99 N ATOM 2079 CA ARG A 123 26.421 -9.930 -10.866 1.00260.37 C ATOM 2080 C ARG A 123 25.391 -10.271 -11.945 1.00234.34 C ATOM 2081 O ARG A 123 25.726 -10.354 -13.128 1.00276.38 O ATOM 2082 CB ARG A 123 27.072 -11.214 -10.344 1.00316.55 C ATOM 2083 CG ARG A 123 28.290 -10.969 -9.466 1.00395.08 C ATOM 2084 CD ARG A 123 29.455 -10.411 -10.268 1.00495.61 C ATOM 2085 NE ARG A 123 30.645 -10.224 -9.444 1.00675.29 N ATOM 2086 CZ ARG A 123 31.793 -9.740 -9.905 1.00999.99 C ATOM 2087 NH1 ARG A 123 31.911 -9.413 -11.186 1.00999.99 N1+ ATOM 2088 NH2 ARG A 123 32.823 -9.583 -9.084 1.00999.99 N ATOM 0 H ARG A 123 25.802 -9.676 -8.876 1.00196.99 H new ATOM 0 HA ARG A 123 27.184 -9.296 -11.318 1.00260.37 H new ATOM 0 HB2 ARG A 123 26.334 -11.780 -9.776 1.00316.55 H new ATOM 0 HB3 ARG A 123 27.365 -11.833 -11.192 1.00316.55 H new ATOM 0 HG2 ARG A 123 28.030 -10.273 -8.668 1.00395.08 H new ATOM 0 HG3 ARG A 123 28.589 -11.902 -8.990 1.00395.08 H new ATOM 0 HD2 ARG A 123 29.686 -11.088 -11.091 1.00495.61 H new ATOM 0 HD3 ARG A 123 29.167 -9.458 -10.711 1.00495.61 H new ATOM 0 HE ARG A 123 30.592 -10.480 -8.458 1.00675.29 H new ATOM 0 HH11 ARG A 123 31.119 -9.533 -11.818 1.00999.99 H new ATOM 0 HH12 ARG A 123 32.793 -9.041 -11.538 1.00999.99 H new ATOM 0 HH21 ARG A 123 32.733 -9.834 -8.099 1.00999.99 H new ATOM 0 HH22 ARG A 123 33.705 -9.211 -9.437 1.00999.99 H new ATOM 2102 N MET A 124 24.145 -10.485 -11.530 1.00186.25 N ATOM 2103 CA MET A 124 23.071 -10.827 -12.462 1.00179.69 C ATOM 2104 C MET A 124 22.693 -9.635 -13.339 1.00149.83 C ATOM 2105 O MET A 124 22.679 -8.494 -12.878 1.00138.38 O ATOM 2106 CB MET A 124 21.831 -11.304 -11.700 1.00184.23 C ATOM 2107 CG MET A 124 22.056 -12.552 -10.863 1.00219.81 C ATOM 2108 SD MET A 124 22.513 -13.986 -11.855 1.00303.00 S ATOM 2109 CE MET A 124 22.720 -15.224 -10.576 1.00385.68 C ATOM 0 H MET A 124 23.853 -10.428 -10.554 1.00186.25 H new ATOM 0 HA MET A 124 23.439 -11.629 -13.102 1.00179.69 H new ATOM 0 HB2 MET A 124 21.487 -10.500 -11.049 1.00184.23 H new ATOM 0 HB3 MET A 124 21.032 -11.499 -12.415 1.00184.23 H new ATOM 0 HG2 MET A 124 22.841 -12.357 -10.132 1.00219.81 H new ATOM 0 HG3 MET A 124 21.148 -12.777 -10.304 1.00219.81 H new ATOM 0 HE1 MET A 124 23.005 -16.173 -11.031 1.00385.68 H new ATOM 0 HE2 MET A 124 23.499 -14.905 -9.884 1.00385.68 H new ATOM 0 HE3 MET A 124 21.782 -15.348 -10.035 1.00385.68 H new ATOM 2119 N ARG A 125 22.410 -9.918 -14.613 1.00150.14 N ATOM 2120 CA ARG A 125 22.008 -8.888 -15.574 1.00134.69 C ATOM 2121 C ARG A 125 20.843 -8.058 -15.034 1.00112.74 C ATOM 2122 O ARG A 125 19.904 -8.608 -14.456 1.00109.40 O ATOM 2123 CB ARG A 125 21.608 -9.536 -16.902 1.00146.40 C ATOM 2124 CG ARG A 125 22.767 -10.178 -17.648 1.00210.37 C ATOM 2125 CD ARG A 125 22.356 -10.609 -19.047 1.00374.62 C ATOM 2126 NE ARG A 125 21.316 -11.639 -19.018 1.00500.03 N ATOM 2127 CZ ARG A 125 21.566 -12.945 -18.954 1.00766.96 C ATOM 2128 NH1 ARG A 125 22.818 -13.386 -18.935 1.00973.30 N1+ ATOM 2129 NH2 ARG A 125 20.560 -13.810 -18.911 1.00999.99 N ATOM 0 H ARG A 125 22.452 -10.859 -15.005 1.00150.14 H new ATOM 0 HA ARG A 125 22.858 -8.225 -15.735 1.00134.69 H new ATOM 0 HB2 ARG A 125 20.848 -10.293 -16.711 1.00146.40 H new ATOM 0 HB3 ARG A 125 21.152 -8.780 -17.541 1.00146.40 H new ATOM 0 HG2 ARG A 125 23.596 -9.473 -17.712 1.00210.37 H new ATOM 0 HG3 ARG A 125 23.126 -11.043 -17.090 1.00210.37 H new ATOM 0 HD2 ARG A 125 21.994 -9.743 -19.602 1.00374.62 H new ATOM 0 HD3 ARG A 125 23.228 -10.988 -19.581 1.00374.62 H new ATOM 0 HE ARG A 125 20.342 -11.338 -19.049 1.00500.03 H new ATOM 0 HH11 ARG A 125 23.593 -12.723 -18.969 1.00973.30 H new ATOM 0 HH12 ARG A 125 23.005 -14.387 -18.886 1.00973.30 H new ATOM 0 HH21 ARG A 125 19.597 -13.474 -18.927 1.00999.99 H new ATOM 0 HH22 ARG A 125 20.750 -14.811 -18.862 1.00999.99 H new ATOM 2143 N PRO A 126 20.868 -6.725 -15.253 1.00110.35 N ATOM 2144 CA PRO A 126 19.813 -5.818 -14.768 1.00104.28 C ATOM 2145 C PRO A 126 18.435 -6.154 -15.338 1.00 98.38 C ATOM 2146 O PRO A 126 17.413 -5.853 -14.726 1.00102.62 O ATOM 2147 CB PRO A 126 20.273 -4.435 -15.250 1.00117.82 C ATOM 2148 CG PRO A 126 21.243 -4.710 -16.349 1.00149.60 C ATOM 2149 CD PRO A 126 21.923 -5.997 -15.980 1.00128.99 C ATOM 0 HA PRO A 126 19.691 -5.888 -13.687 1.00104.28 H new ATOM 0 HB2 PRO A 126 19.431 -3.842 -15.606 1.00117.82 H new ATOM 0 HB3 PRO A 126 20.741 -3.872 -14.443 1.00117.82 H new ATOM 0 HG2 PRO A 126 20.733 -4.798 -17.308 1.00149.60 H new ATOM 0 HG3 PRO A 126 21.965 -3.899 -16.445 1.00149.60 H new ATOM 0 HD2 PRO A 126 22.259 -6.544 -16.861 1.00128.99 H new ATOM 0 HD3 PRO A 126 22.801 -5.827 -15.356 1.00128.99 H new ATOM 2157 N ALA A 127 18.421 -6.779 -16.512 1.00102.37 N ATOM 2158 CA ALA A 127 17.181 -7.179 -17.169 1.00111.34 C ATOM 2159 C ALA A 127 16.403 -8.189 -16.326 1.00122.44 C ATOM 2160 O ALA A 127 15.173 -8.169 -16.293 1.00147.02 O ATOM 2161 CB ALA A 127 17.477 -7.753 -18.547 1.00124.74 C ATOM 0 H ALA A 127 19.264 -7.021 -17.032 1.00102.37 H new ATOM 0 HA ALA A 127 16.559 -6.291 -17.281 1.00111.34 H new ATOM 0 HB1 ALA A 127 16.544 -8.048 -19.027 1.00124.74 H new ATOM 0 HB2 ALA A 127 17.976 -6.999 -19.156 1.00124.74 H new ATOM 0 HB3 ALA A 127 18.124 -8.624 -18.447 1.00124.74 H new ATOM 2167 N ASP A 128 17.129 -9.080 -15.654 1.00119.66 N ATOM 2168 CA ASP A 128 16.509 -10.112 -14.824 1.00143.76 C ATOM 2169 C ASP A 128 16.351 -9.666 -13.370 1.00139.80 C ATOM 2170 O ASP A 128 15.854 -10.424 -12.538 1.00168.58 O ATOM 2171 CB ASP A 128 17.328 -11.407 -14.876 1.00162.48 C ATOM 2172 CG ASP A 128 17.242 -12.107 -16.220 1.00236.45 C ATOM 2173 OD1 ASP A 128 16.330 -11.777 -17.008 1.00277.81 O ATOM 2174 OD2 ASP A 128 18.091 -12.984 -16.485 1.00360.37 O1- ATOM 0 H ASP A 128 18.149 -9.108 -15.668 1.00119.66 H new ATOM 0 HA ASP A 128 15.514 -10.290 -15.231 1.00143.76 H new ATOM 0 HB2 ASP A 128 18.371 -11.180 -14.656 1.00162.48 H new ATOM 0 HB3 ASP A 128 16.978 -12.084 -14.097 1.00162.48 H new ATOM 2179 N VAL A 129 16.783 -8.446 -13.062 1.00120.14 N ATOM 2180 CA VAL A 129 16.681 -7.924 -11.702 1.00130.04 C ATOM 2181 C VAL A 129 15.350 -7.202 -11.482 1.00125.41 C ATOM 2182 O VAL A 129 15.060 -6.202 -12.142 1.00112.69 O ATOM 2183 CB VAL A 129 17.848 -6.963 -11.368 1.00135.68 C ATOM 2184 CG1 VAL A 129 17.725 -6.428 -9.947 1.00183.43 C ATOM 2185 CG2 VAL A 129 19.186 -7.661 -11.556 1.00187.93 C ATOM 0 H VAL A 129 17.205 -7.803 -13.732 1.00120.14 H new ATOM 0 HA VAL A 129 16.735 -8.783 -11.034 1.00130.04 H new ATOM 0 HB VAL A 129 17.796 -6.119 -12.056 1.00135.68 H new ATOM 0 HG11 VAL A 129 18.557 -5.756 -9.738 1.00183.43 H new ATOM 0 HG12 VAL A 129 16.785 -5.886 -9.842 1.00183.43 H new ATOM 0 HG13 VAL A 129 17.745 -7.259 -9.242 1.00183.43 H new ATOM 0 HG21 VAL A 129 19.994 -6.970 -11.317 1.00187.93 H new ATOM 0 HG22 VAL A 129 19.241 -8.526 -10.895 1.00187.93 H new ATOM 0 HG23 VAL A 129 19.283 -7.988 -12.591 1.00187.93 H new ATOM 2195 N PRO A 130 14.519 -7.713 -10.554 1.00153.16 N ATOM 2196 CA PRO A 130 13.216 -7.114 -10.236 1.00165.65 C ATOM 2197 C PRO A 130 13.351 -5.810 -9.448 1.00148.60 C ATOM 2198 O PRO A 130 14.391 -5.540 -8.845 1.00149.75 O ATOM 2199 CB PRO A 130 12.533 -8.190 -9.390 1.00213.33 C ATOM 2200 CG PRO A 130 13.659 -8.916 -8.738 1.00265.39 C ATOM 2201 CD PRO A 130 14.781 -8.920 -9.742 1.00195.88 C ATOM 0 HA PRO A 130 12.659 -6.842 -11.133 1.00165.65 H new ATOM 0 HB2 PRO A 130 11.863 -7.750 -8.652 1.00213.33 H new ATOM 0 HB3 PRO A 130 11.932 -8.859 -10.006 1.00213.33 H new ATOM 0 HG2 PRO A 130 13.962 -8.421 -7.815 1.00265.39 H new ATOM 0 HG3 PRO A 130 13.368 -9.932 -8.473 1.00265.39 H new ATOM 0 HD2 PRO A 130 15.755 -8.873 -9.256 1.00195.88 H new ATOM 0 HD3 PRO A 130 14.772 -9.824 -10.351 1.00195.88 H new ATOM 2209 N VAL A 131 12.294 -5.005 -9.454 1.00152.18 N ATOM 2210 CA VAL A 131 12.303 -3.733 -8.742 1.00147.96 C ATOM 2211 C VAL A 131 11.449 -3.823 -7.477 1.00172.15 C ATOM 2212 O VAL A 131 10.354 -4.387 -7.491 1.00211.66 O ATOM 2213 CB VAL A 131 11.775 -2.591 -9.647 1.00167.12 C ATOM 2214 CG1 VAL A 131 11.749 -1.259 -8.907 1.00246.78 C ATOM 2215 CG2 VAL A 131 12.619 -2.482 -10.911 1.00227.19 C ATOM 0 H VAL A 131 11.423 -5.210 -9.943 1.00152.18 H new ATOM 0 HA VAL A 131 13.333 -3.512 -8.463 1.00147.96 H new ATOM 0 HB VAL A 131 10.750 -2.835 -9.927 1.00167.12 H new ATOM 0 HG11 VAL A 131 11.374 -0.481 -9.572 1.00246.78 H new ATOM 0 HG12 VAL A 131 11.097 -1.339 -8.037 1.00246.78 H new ATOM 0 HG13 VAL A 131 12.758 -1.003 -8.582 1.00246.78 H new ATOM 0 HG21 VAL A 131 12.236 -1.676 -11.536 1.00227.19 H new ATOM 0 HG22 VAL A 131 13.654 -2.271 -10.641 1.00227.19 H new ATOM 0 HG23 VAL A 131 12.572 -3.421 -11.462 1.00227.19 H new ATOM 2225 N LYS A 132 11.961 -3.263 -6.385 1.00176.59 N ATOM 2226 CA LYS A 132 11.258 -3.278 -5.108 1.00221.54 C ATOM 2227 C LYS A 132 10.486 -1.980 -4.897 1.00177.73 C ATOM 2228 O LYS A 132 11.044 -0.886 -5.003 1.00160.46 O ATOM 2229 CB LYS A 132 12.257 -3.492 -3.962 1.00322.36 C ATOM 2230 CG LYS A 132 11.619 -3.525 -2.578 1.00501.64 C ATOM 2231 CD LYS A 132 10.666 -4.700 -2.422 1.00646.40 C ATOM 2232 CE LYS A 132 10.234 -4.878 -0.976 1.00938.49 C ATOM 2233 NZ LYS A 132 9.508 -3.685 -0.458 1.00999.99 N1+ ATOM 0 H LYS A 132 12.865 -2.791 -6.360 1.00176.59 H new ATOM 0 HA LYS A 132 10.544 -4.101 -5.118 1.00221.54 H new ATOM 0 HB2 LYS A 132 12.788 -4.429 -4.128 1.00322.36 H new ATOM 0 HB3 LYS A 132 13.000 -2.695 -3.989 1.00322.36 H new ATOM 0 HG2 LYS A 132 12.399 -3.587 -1.820 1.00501.64 H new ATOM 0 HG3 LYS A 132 11.079 -2.594 -2.404 1.00501.64 H new ATOM 0 HD2 LYS A 132 9.788 -4.543 -3.049 1.00646.40 H new ATOM 0 HD3 LYS A 132 11.150 -5.611 -2.773 1.00646.40 H new ATOM 0 HE2 LYS A 132 9.593 -5.756 -0.895 1.00938.49 H new ATOM 0 HE3 LYS A 132 11.111 -5.066 -0.356 1.00938.49 H new ATOM 0 HZ1 LYS A 132 10.093 -3.205 0.255 1.00999.99 H new ATOM 0 HZ2 LYS A 132 9.312 -3.031 -1.242 1.00999.99 H new ATOM 0 HZ3 LYS A 132 8.611 -3.985 -0.025 1.00999.99 H new ATOM 2247 N TYR A 133 9.196 -2.108 -4.606 1.00198.47 N ATOM 2248 CA TYR A 133 8.345 -0.949 -4.370 1.00193.72 C ATOM 2249 C TYR A 133 8.496 -0.471 -2.930 1.00206.40 C ATOM 2250 O TYR A 133 8.758 -1.270 -2.028 1.00307.93 O ATOM 2251 CB TYR A 133 6.881 -1.289 -4.660 1.00262.32 C ATOM 2252 CG TYR A 133 6.631 -1.716 -6.091 1.00288.85 C ATOM 2253 CD1 TYR A 133 6.364 -3.044 -6.402 1.00366.86 C ATOM 2254 CD2 TYR A 133 6.669 -0.795 -7.131 1.00322.38 C ATOM 2255 CE1 TYR A 133 6.142 -3.442 -7.707 1.00427.35 C ATOM 2256 CE2 TYR A 133 6.448 -1.185 -8.438 1.00378.39 C ATOM 2257 CZ TYR A 133 6.184 -2.508 -8.720 1.00405.19 C ATOM 2258 OH TYR A 133 5.963 -2.901 -10.019 1.00495.41 O ATOM 0 H TYR A 133 8.717 -3.005 -4.528 1.00198.47 H new ATOM 0 HA TYR A 133 8.655 -0.150 -5.043 1.00193.72 H new ATOM 0 HB2 TYR A 133 6.562 -2.088 -3.990 1.00262.32 H new ATOM 0 HB3 TYR A 133 6.263 -0.419 -4.436 1.00262.32 H new ATOM 0 HD1 TYR A 133 6.329 -3.778 -5.610 1.00366.86 H new ATOM 0 HD2 TYR A 133 6.875 0.243 -6.914 1.00322.38 H new ATOM 0 HE1 TYR A 133 5.937 -4.478 -7.932 1.00427.35 H new ATOM 0 HE2 TYR A 133 6.482 -0.457 -9.235 1.00378.39 H new ATOM 0 HH TYR A 133 6.026 -2.123 -10.611 1.00495.41 H new ATOM 2268 N MET A 134 8.328 0.828 -2.712 1.00190.99 N ATOM 2269 CA MET A 134 8.455 1.397 -1.375 1.00213.99 C ATOM 2270 C MET A 134 7.148 1.260 -0.603 1.00260.47 C ATOM 2271 O MET A 134 7.200 0.948 0.604 1.00435.79 O ATOM 2272 CB MET A 134 8.869 2.869 -1.452 1.00301.25 C ATOM 2273 CG MET A 134 10.258 3.093 -2.034 1.00435.87 C ATOM 2274 SD MET A 134 11.559 2.309 -1.059 1.00688.60 S ATOM 2275 CE MET A 134 11.893 0.842 -2.032 1.00761.34 C ATOM 2276 OXT MET A 134 6.078 1.471 -1.218 1.00367.68 O ATOM 0 H MET A 134 8.104 1.505 -3.441 1.00190.99 H new ATOM 0 HA MET A 134 9.230 0.843 -0.845 1.00213.99 H new ATOM 0 HB2 MET A 134 8.141 3.409 -2.058 1.00301.25 H new ATOM 0 HB3 MET A 134 8.832 3.299 -0.451 1.00301.25 H new ATOM 0 HG2 MET A 134 10.288 2.703 -3.052 1.00435.87 H new ATOM 0 HG3 MET A 134 10.452 4.164 -2.097 1.00435.87 H new ATOM 0 HE1 MET A 134 12.862 0.431 -1.750 1.00761.34 H new ATOM 0 HE2 MET A 134 11.117 0.099 -1.849 1.00761.34 H new ATOM 0 HE3 MET A 134 11.904 1.102 -3.090 1.00761.34 H new TER 2286 MET A 134