USER MOD reduce.3.24.130724 H: found=0, std=0, add=1434, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1434 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 74 LYS NZ :NH3+ 154:sc= 1.29 (180deg=0) USER MOD Set 1.2: B 70 TYR OH : rot 180:sc= 1.02 USER MOD Set 2.1: A 28 SER OG : rot -54:sc= 1.26 USER MOD Set 2.2: A 31 HIS : +bothHN:sc= 0.233 K(o=1.5,f=-7.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 4 MET CE :methyl -172:sc= 0 (180deg=-0.0696) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.0172 X(o=-0.017,f=-0.017) USER MOD Single : A 9 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00366) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.388 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc=-0.00559 K(o=-0.0056,f=-2.4!) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.46 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00698 USER MOD Single : A 42 LYS NZ :NH3+ 172:sc= 0.876 (180deg=0.799) USER MOD Single : A 43 MET CE :methyl -167:sc= 0 (180deg=-0.219) USER MOD Single : A 44 HIS : no HE2:sc= 0.451 K(o=0.45,f=-2.4) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 164:sc= 1.25 (180deg=0.983) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 52 MET CE :methyl -111:sc= -0.477 (180deg=-0.861) USER MOD Single : A 57 LYS NZ :NH3+ -150:sc= -0.219 (180deg=-0.877) USER MOD Single : A 62 THR OG1 : rot 72:sc= 0.277 USER MOD Single : A 65 GLN : amide:sc= -0.348 K(o=-0.35,f=-8.2!) USER MOD Single : A 68 SER OG : rot 56:sc= 0.82 USER MOD Single : A 70 TYR OH : rot -18:sc= 0.513 USER MOD Single : A 72 LYS NZ :NH3+ -170:sc=-0.00189 (180deg=-0.0819) USER MOD Single : A 77 TYR OH : rot 180:sc= 0.747 USER MOD Single : A 78 GLN : amide:sc= -0.063 X(o=-0.063,f=-0.54) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ -131:sc= 0.0123 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0.0538 USER MOD Single : B 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 THR OG1 : rot 180:sc= -0.266 USER MOD Single : B 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 9 LYS NZ :NH3+ 155:sc= -0.0598 (180deg=-0.407) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= -0.0251 X(o=-0.025,f=-0.2) USER MOD Single : B 21 TYR OH : rot 180:sc= -0.251 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 SER OG : rot -36:sc= 0.918 USER MOD Single : B 31 HIS : no HD1:sc= 1.17 K(o=1.2,f=-5!) USER MOD Single : B 42 LYS NZ :NH3+ 148:sc= 2.3 (180deg=0.348) USER MOD Single : B 43 MET CE :methyl 174:sc= -0.651 (180deg=-0.724) USER MOD Single : B 44 HIS : no HD1:sc= -0.0122 X(o=-0.012,f=-0.11) USER MOD Single : B 47 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= -0.0876 K(o=-0.088,f=-1.4!) USER MOD Single : B 52 MET CE :methyl 175:sc= 0 (180deg=-0.0222) USER MOD Single : B 57 LYS NZ :NH3+ -167:sc=-0.00756 (180deg=-0.131) USER MOD Single : B 62 THR OG1 : rot 60:sc= 0.644 USER MOD Single : B 65 GLN : amide:sc= -0.366 K(o=-0.37,f=-2.1!) USER MOD Single : B 68 SER OG : rot 29:sc= 0.788 USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 TYR OH : rot 168:sc= 1.27 USER MOD Single : B 78 GLN : amide:sc= 0.47 X(o=0.47,f=-0.0045) USER MOD Single : B 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 85 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.269) USER MOD Single : B 86 LYS NZ :NH3+ 166:sc= -0.0388 (180deg=-0.221) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.752 0.303 -22.802 1.00 0.23 N ATOM 2 CA GLY A 1 31.570 0.951 -23.422 1.00 0.52 C ATOM 3 C GLY A 1 31.319 2.328 -22.846 1.00 0.32 C ATOM 4 O GLY A 1 31.854 3.323 -23.339 1.00 0.19 O ATOM 0 H1 GLY A 1 32.892 -0.638 -23.222 1.00 0.23 H new ATOM 0 H2 GLY A 1 33.596 0.887 -22.971 1.00 0.23 H new ATOM 0 H3 GLY A 1 32.597 0.206 -21.778 1.00 0.23 H new ATOM 0 HA2 GLY A 1 31.721 1.029 -24.499 1.00 0.52 H new ATOM 0 HA3 GLY A 1 30.690 0.326 -23.268 1.00 0.52 H new ATOM 10 N SER A 2 30.504 2.390 -21.808 1.00 0.42 N ATOM 11 CA SER A 2 30.193 3.650 -21.157 1.00 0.34 C ATOM 12 C SER A 2 31.292 4.000 -20.159 1.00 0.28 C ATOM 13 O SER A 2 31.431 3.351 -19.122 1.00 0.53 O ATOM 14 CB SER A 2 28.848 3.554 -20.441 1.00 0.58 C ATOM 15 OG SER A 2 27.931 2.783 -21.194 1.00 0.54 O ATOM 0 H SER A 2 30.044 1.578 -21.396 1.00 0.42 H new ATOM 0 HA SER A 2 30.133 4.434 -21.912 1.00 0.34 H new ATOM 0 HB2 SER A 2 28.986 3.105 -19.457 1.00 0.58 H new ATOM 0 HB3 SER A 2 28.444 4.554 -20.281 1.00 0.58 H new ATOM 0 HG SER A 2 27.077 2.733 -20.717 1.00 0.54 H new ATOM 21 N HIS A 3 32.087 5.008 -20.489 1.00 0.18 N ATOM 22 CA HIS A 3 33.172 5.438 -19.618 1.00 0.13 C ATOM 23 C HIS A 3 32.639 6.363 -18.531 1.00 0.16 C ATOM 24 O HIS A 3 33.313 6.636 -17.538 1.00 0.31 O ATOM 25 CB HIS A 3 34.264 6.145 -20.426 1.00 0.26 C ATOM 26 CG HIS A 3 35.593 6.163 -19.741 1.00 0.54 C ATOM 27 ND1 HIS A 3 35.998 7.187 -18.916 1.00 1.06 N ATOM 28 CD2 HIS A 3 36.607 5.268 -19.752 1.00 1.49 C ATOM 29 CE1 HIS A 3 37.202 6.925 -18.451 1.00 1.02 C ATOM 30 NE2 HIS A 3 37.597 5.768 -18.944 1.00 1.41 N ATOM 0 H HIS A 3 32.001 5.543 -21.353 1.00 0.18 H new ATOM 0 HA HIS A 3 33.607 4.556 -19.148 1.00 0.13 H new ATOM 0 HB2 HIS A 3 34.368 5.651 -21.392 1.00 0.26 H new ATOM 0 HB3 HIS A 3 33.952 7.170 -20.625 1.00 0.26 H new ATOM 0 HD2 HIS A 3 36.633 4.335 -20.295 1.00 1.49 H new ATOM 0 HE1 HIS A 3 37.770 7.552 -17.779 1.00 1.02 H new ATOM 0 HE2 HIS A 3 38.493 5.318 -18.756 1.00 1.41 H new ATOM 39 N MET A 4 31.421 6.846 -18.733 1.00 0.20 N ATOM 40 CA MET A 4 30.780 7.733 -17.773 1.00 0.25 C ATOM 41 C MET A 4 30.206 6.935 -16.603 1.00 0.20 C ATOM 42 O MET A 4 30.108 5.708 -16.666 1.00 0.30 O ATOM 43 CB MET A 4 29.668 8.542 -18.453 1.00 0.37 C ATOM 44 CG MET A 4 28.423 7.731 -18.767 1.00 0.43 C ATOM 45 SD MET A 4 27.201 8.675 -19.694 1.00 0.28 S ATOM 46 CE MET A 4 25.856 7.495 -19.766 1.00 0.33 C ATOM 0 H MET A 4 30.856 6.637 -19.556 1.00 0.20 H new ATOM 0 HA MET A 4 31.532 8.422 -17.389 1.00 0.25 H new ATOM 0 HB2 MET A 4 29.393 9.377 -17.808 1.00 0.37 H new ATOM 0 HB3 MET A 4 30.056 8.968 -19.378 1.00 0.37 H new ATOM 0 HG2 MET A 4 28.704 6.846 -19.339 1.00 0.43 H new ATOM 0 HG3 MET A 4 27.977 7.381 -17.836 1.00 0.43 H new ATOM 0 HE1 MET A 4 25.077 7.872 -20.428 1.00 0.33 H new ATOM 0 HE2 MET A 4 26.227 6.543 -20.147 1.00 0.33 H new ATOM 0 HE3 MET A 4 25.445 7.351 -18.767 1.00 0.33 H new ATOM 56 N THR A 5 29.831 7.634 -15.544 1.00 0.32 N ATOM 57 CA THR A 5 29.270 6.996 -14.366 1.00 0.34 C ATOM 58 C THR A 5 27.746 7.086 -14.373 1.00 0.34 C ATOM 59 O THR A 5 27.178 8.177 -14.336 1.00 0.37 O ATOM 60 CB THR A 5 29.814 7.646 -13.082 1.00 0.36 C ATOM 61 OG1 THR A 5 31.185 8.022 -13.274 1.00 0.33 O ATOM 62 CG2 THR A 5 29.703 6.694 -11.899 1.00 0.54 C ATOM 0 H THR A 5 29.906 8.649 -15.477 1.00 0.32 H new ATOM 0 HA THR A 5 29.564 5.947 -14.388 1.00 0.34 H new ATOM 0 HB THR A 5 29.217 8.532 -12.866 1.00 0.36 H new ATOM 0 HG1 THR A 5 31.528 8.437 -12.455 1.00 0.33 H new ATOM 0 HG21 THR A 5 30.094 7.178 -11.004 1.00 0.54 H new ATOM 0 HG22 THR A 5 28.657 6.430 -11.741 1.00 0.54 H new ATOM 0 HG23 THR A 5 30.278 5.791 -12.104 1.00 0.54 H new ATOM 70 N GLU A 6 27.094 5.936 -14.438 1.00 0.35 N ATOM 71 CA GLU A 6 25.642 5.879 -14.448 1.00 0.39 C ATOM 72 C GLU A 6 25.109 5.725 -13.030 1.00 0.32 C ATOM 73 O GLU A 6 25.723 5.055 -12.200 1.00 0.30 O ATOM 74 CB GLU A 6 25.159 4.709 -15.307 1.00 0.52 C ATOM 75 CG GLU A 6 25.546 4.818 -16.772 1.00 0.53 C ATOM 76 CD GLU A 6 25.202 3.568 -17.551 1.00 1.16 C ATOM 77 OE1 GLU A 6 24.009 3.363 -17.860 1.00 1.64 O ATOM 78 OE2 GLU A 6 26.116 2.778 -17.858 1.00 1.31 O1- ATOM 0 H GLU A 6 27.551 5.025 -14.485 1.00 0.35 H new ATOM 0 HA GLU A 6 25.266 6.810 -14.872 1.00 0.39 H new ATOM 0 HB2 GLU A 6 25.566 3.782 -14.902 1.00 0.52 H new ATOM 0 HB3 GLU A 6 24.074 4.640 -15.232 1.00 0.52 H new ATOM 0 HG2 GLU A 6 25.037 5.673 -17.217 1.00 0.53 H new ATOM 0 HG3 GLU A 6 26.616 5.009 -16.850 1.00 0.53 H new ATOM 85 N GLN A 7 23.978 6.360 -12.754 1.00 0.30 N ATOM 86 CA GLN A 7 23.357 6.277 -11.440 1.00 0.25 C ATOM 87 C GLN A 7 22.074 5.454 -11.529 1.00 0.23 C ATOM 88 O GLN A 7 21.036 5.952 -11.969 1.00 0.29 O ATOM 89 CB GLN A 7 23.056 7.683 -10.902 1.00 0.29 C ATOM 90 CG GLN A 7 22.735 7.727 -9.415 1.00 0.42 C ATOM 91 CD GLN A 7 23.961 7.541 -8.540 1.00 1.19 C ATOM 92 OE1 GLN A 7 24.277 6.429 -8.114 1.00 1.46 O ATOM 93 NE2 GLN A 7 24.659 8.630 -8.263 1.00 1.77 N ATOM 0 H GLN A 7 23.472 6.939 -13.424 1.00 0.30 H new ATOM 0 HA GLN A 7 24.045 5.787 -10.751 1.00 0.25 H new ATOM 0 HB2 GLN A 7 23.915 8.325 -11.096 1.00 0.29 H new ATOM 0 HB3 GLN A 7 22.215 8.099 -11.456 1.00 0.29 H new ATOM 0 HG2 GLN A 7 22.267 8.682 -9.178 1.00 0.42 H new ATOM 0 HG3 GLN A 7 22.008 6.949 -9.182 1.00 0.42 H new ATOM 0 HE21 GLN A 7 24.364 9.533 -8.635 1.00 1.77 H new ATOM 0 HE22 GLN A 7 25.492 8.567 -7.677 1.00 1.77 H new ATOM 102 N PRO A 8 22.138 4.171 -11.150 1.00 0.18 N ATOM 103 CA PRO A 8 20.993 3.272 -11.198 1.00 0.17 C ATOM 104 C PRO A 8 20.184 3.258 -9.901 1.00 0.19 C ATOM 105 O PRO A 8 20.482 3.991 -8.956 1.00 0.25 O ATOM 106 CB PRO A 8 21.660 1.918 -11.424 1.00 0.18 C ATOM 107 CG PRO A 8 22.966 2.013 -10.702 1.00 0.20 C ATOM 108 CD PRO A 8 23.340 3.479 -10.656 1.00 0.18 C ATOM 0 HA PRO A 8 20.271 3.562 -11.961 1.00 0.17 H new ATOM 0 HB2 PRO A 8 21.049 1.105 -11.032 1.00 0.18 H new ATOM 0 HB3 PRO A 8 21.808 1.722 -12.486 1.00 0.18 H new ATOM 0 HG2 PRO A 8 22.881 1.605 -9.695 1.00 0.20 H new ATOM 0 HG3 PRO A 8 23.734 1.435 -11.216 1.00 0.20 H new ATOM 0 HD2 PRO A 8 23.594 3.794 -9.644 1.00 0.18 H new ATOM 0 HD3 PRO A 8 24.207 3.689 -11.282 1.00 0.18 H new ATOM 116 N LYS A 9 19.153 2.421 -9.872 1.00 0.17 N ATOM 117 CA LYS A 9 18.298 2.292 -8.698 1.00 0.20 C ATOM 118 C LYS A 9 18.932 1.325 -7.699 1.00 0.23 C ATOM 119 O LYS A 9 19.542 0.327 -8.091 1.00 0.30 O ATOM 120 CB LYS A 9 16.891 1.810 -9.091 1.00 0.14 C ATOM 121 CG LYS A 9 16.840 0.374 -9.608 1.00 0.33 C ATOM 122 CD LYS A 9 15.468 0.015 -10.160 1.00 0.76 C ATOM 123 CE LYS A 9 15.502 -1.305 -10.914 1.00 1.45 C ATOM 124 NZ LYS A 9 16.093 -1.156 -12.273 1.00 2.23 N1+ ATOM 0 H LYS A 9 18.888 1.819 -10.652 1.00 0.17 H new ATOM 0 HA LYS A 9 18.199 3.273 -8.233 1.00 0.20 H new ATOM 0 HB2 LYS A 9 16.235 1.895 -8.224 1.00 0.14 H new ATOM 0 HB3 LYS A 9 16.493 2.474 -9.858 1.00 0.14 H new ATOM 0 HG2 LYS A 9 17.590 0.243 -10.388 1.00 0.33 H new ATOM 0 HG3 LYS A 9 17.096 -0.311 -8.800 1.00 0.33 H new ATOM 0 HD2 LYS A 9 14.750 -0.050 -9.342 1.00 0.76 H new ATOM 0 HD3 LYS A 9 15.123 0.807 -10.825 1.00 0.76 H new ATOM 0 HE2 LYS A 9 16.080 -2.033 -10.345 1.00 1.45 H new ATOM 0 HE3 LYS A 9 14.490 -1.700 -11.000 1.00 1.45 H new ATOM 0 HZ1 LYS A 9 16.066 -2.072 -12.766 1.00 2.23 H new ATOM 0 HZ2 LYS A 9 15.547 -0.456 -12.814 1.00 2.23 H new ATOM 0 HZ3 LYS A 9 17.079 -0.837 -12.190 1.00 2.23 H new ATOM 138 N THR A 10 18.802 1.626 -6.420 1.00 0.30 N ATOM 139 CA THR A 10 19.364 0.780 -5.382 1.00 0.36 C ATOM 140 C THR A 10 18.278 -0.077 -4.735 1.00 0.30 C ATOM 141 O THR A 10 17.100 0.294 -4.719 1.00 0.27 O ATOM 142 CB THR A 10 20.099 1.616 -4.307 1.00 0.49 C ATOM 143 OG1 THR A 10 20.892 0.768 -3.469 1.00 0.62 O ATOM 144 CG2 THR A 10 19.123 2.407 -3.446 1.00 0.60 C ATOM 0 H THR A 10 18.312 2.451 -6.074 1.00 0.30 H new ATOM 0 HA THR A 10 20.094 0.122 -5.855 1.00 0.36 H new ATOM 0 HB THR A 10 20.745 2.321 -4.831 1.00 0.49 H new ATOM 0 HG1 THR A 10 21.352 1.311 -2.795 1.00 0.62 H new ATOM 0 HG21 THR A 10 19.676 2.981 -2.703 1.00 0.60 H new ATOM 0 HG22 THR A 10 18.550 3.086 -4.077 1.00 0.60 H new ATOM 0 HG23 THR A 10 18.444 1.720 -2.941 1.00 0.60 H new ATOM 152 N ARG A 11 18.678 -1.225 -4.216 1.00 0.30 N ATOM 153 CA ARG A 11 17.759 -2.140 -3.571 1.00 0.26 C ATOM 154 C ARG A 11 18.087 -2.250 -2.088 1.00 0.21 C ATOM 155 O ARG A 11 19.220 -1.994 -1.674 1.00 0.22 O ATOM 156 CB ARG A 11 17.819 -3.520 -4.238 1.00 0.32 C ATOM 157 CG ARG A 11 19.125 -4.264 -4.001 1.00 0.40 C ATOM 158 CD ARG A 11 19.146 -5.608 -4.717 1.00 0.55 C ATOM 159 NE ARG A 11 20.009 -6.577 -4.038 1.00 0.68 N ATOM 160 CZ ARG A 11 19.808 -7.897 -4.052 1.00 1.07 C ATOM 161 NH1 ARG A 11 18.828 -8.413 -4.785 1.00 1.36 N1+ ATOM 162 NH2 ARG A 11 20.604 -8.696 -3.348 1.00 1.17 N ATOM 0 H ARG A 11 19.646 -1.546 -4.231 1.00 0.30 H new ATOM 0 HA ARG A 11 16.746 -1.752 -3.678 1.00 0.26 H new ATOM 0 HB2 ARG A 11 16.994 -4.128 -3.867 1.00 0.32 H new ATOM 0 HB3 ARG A 11 17.670 -3.401 -5.311 1.00 0.32 H new ATOM 0 HG2 ARG A 11 19.959 -3.654 -4.348 1.00 0.40 H new ATOM 0 HG3 ARG A 11 19.266 -4.419 -2.931 1.00 0.40 H new ATOM 0 HD2 ARG A 11 18.132 -6.004 -4.775 1.00 0.55 H new ATOM 0 HD3 ARG A 11 19.493 -5.468 -5.741 1.00 0.55 H new ATOM 0 HE ARG A 11 20.814 -6.221 -3.522 1.00 0.68 H new ATOM 0 HH11 ARG A 11 18.228 -7.801 -5.338 1.00 1.36 H new ATOM 0 HH12 ARG A 11 18.675 -9.421 -4.795 1.00 1.36 H new ATOM 0 HH21 ARG A 11 21.367 -8.300 -2.798 1.00 1.17 H new ATOM 0 HH22 ARG A 11 20.452 -9.705 -3.358 1.00 1.17 H new ATOM 176 N VAL A 12 17.095 -2.616 -1.298 1.00 0.16 N ATOM 177 CA VAL A 12 17.272 -2.763 0.138 1.00 0.12 C ATOM 178 C VAL A 12 16.643 -4.068 0.622 1.00 0.14 C ATOM 179 O VAL A 12 15.584 -4.470 0.136 1.00 0.18 O ATOM 180 CB VAL A 12 16.656 -1.562 0.898 1.00 0.09 C ATOM 181 CG1 VAL A 12 15.165 -1.454 0.627 1.00 0.08 C ATOM 182 CG2 VAL A 12 16.923 -1.662 2.394 1.00 0.12 C ATOM 0 H VAL A 12 16.151 -2.819 -1.628 1.00 0.16 H new ATOM 0 HA VAL A 12 18.342 -2.788 0.345 1.00 0.12 H new ATOM 0 HB VAL A 12 17.137 -0.656 0.529 1.00 0.09 H new ATOM 0 HG11 VAL A 12 14.757 -0.603 1.172 1.00 0.08 H new ATOM 0 HG12 VAL A 12 14.999 -1.314 -0.441 1.00 0.08 H new ATOM 0 HG13 VAL A 12 14.668 -2.367 0.955 1.00 0.08 H new ATOM 0 HG21 VAL A 12 16.479 -0.805 2.901 1.00 0.12 H new ATOM 0 HG22 VAL A 12 16.483 -2.581 2.781 1.00 0.12 H new ATOM 0 HG23 VAL A 12 17.998 -1.671 2.572 1.00 0.12 H new ATOM 192 N SER A 13 17.311 -4.741 1.544 1.00 0.14 N ATOM 193 CA SER A 13 16.800 -5.986 2.091 1.00 0.17 C ATOM 194 C SER A 13 16.187 -5.741 3.467 1.00 0.12 C ATOM 195 O SER A 13 16.897 -5.432 4.424 1.00 0.15 O ATOM 196 CB SER A 13 17.921 -7.027 2.185 1.00 0.25 C ATOM 197 OG SER A 13 18.508 -7.258 0.913 1.00 0.56 O ATOM 0 H SER A 13 18.208 -4.446 1.929 1.00 0.14 H new ATOM 0 HA SER A 13 16.027 -6.370 1.426 1.00 0.17 H new ATOM 0 HB2 SER A 13 18.683 -6.684 2.884 1.00 0.25 H new ATOM 0 HB3 SER A 13 17.523 -7.961 2.581 1.00 0.25 H new ATOM 0 HG SER A 13 19.222 -7.924 0.998 1.00 0.56 H new ATOM 203 N VAL A 14 14.867 -5.861 3.560 1.00 0.06 N ATOM 204 CA VAL A 14 14.166 -5.645 4.820 1.00 0.08 C ATOM 205 C VAL A 14 13.607 -6.960 5.349 1.00 0.08 C ATOM 206 O VAL A 14 13.682 -7.983 4.673 1.00 0.12 O ATOM 207 CB VAL A 14 13.017 -4.622 4.679 1.00 0.09 C ATOM 208 CG1 VAL A 14 13.558 -3.257 4.281 1.00 0.10 C ATOM 209 CG2 VAL A 14 11.977 -5.098 3.674 1.00 0.09 C ATOM 0 H VAL A 14 14.261 -6.107 2.777 1.00 0.06 H new ATOM 0 HA VAL A 14 14.894 -5.241 5.523 1.00 0.08 H new ATOM 0 HB VAL A 14 12.530 -4.531 5.650 1.00 0.09 H new ATOM 0 HG11 VAL A 14 12.732 -2.552 4.187 1.00 0.10 H new ATOM 0 HG12 VAL A 14 14.252 -2.904 5.044 1.00 0.10 H new ATOM 0 HG13 VAL A 14 14.078 -3.336 3.326 1.00 0.10 H new ATOM 0 HG21 VAL A 14 11.181 -4.358 3.596 1.00 0.09 H new ATOM 0 HG22 VAL A 14 12.447 -5.230 2.699 1.00 0.09 H new ATOM 0 HG23 VAL A 14 11.558 -6.048 4.006 1.00 0.09 H new ATOM 219 N ARG A 15 13.050 -6.938 6.551 1.00 0.05 N ATOM 220 CA ARG A 15 12.495 -8.146 7.143 1.00 0.05 C ATOM 221 C ARG A 15 11.021 -7.953 7.496 1.00 0.04 C ATOM 222 O ARG A 15 10.670 -7.038 8.237 1.00 0.07 O ATOM 223 CB ARG A 15 13.278 -8.529 8.395 1.00 0.06 C ATOM 224 CG ARG A 15 13.126 -9.990 8.780 1.00 0.06 C ATOM 225 CD ARG A 15 13.518 -10.220 10.230 1.00 0.11 C ATOM 226 NE ARG A 15 12.559 -9.617 11.153 1.00 0.16 N ATOM 227 CZ ARG A 15 12.851 -9.242 12.396 1.00 0.20 C ATOM 228 NH1 ARG A 15 14.084 -9.392 12.870 1.00 0.20 N1+ ATOM 229 NH2 ARG A 15 11.904 -8.719 13.165 1.00 0.26 N ATOM 0 H ARG A 15 12.971 -6.103 7.132 1.00 0.05 H new ATOM 0 HA ARG A 15 12.575 -8.948 6.409 1.00 0.05 H new ATOM 0 HB2 ARG A 15 14.334 -8.312 8.234 1.00 0.06 H new ATOM 0 HB3 ARG A 15 12.947 -7.906 9.226 1.00 0.06 H new ATOM 0 HG2 ARG A 15 12.094 -10.304 8.625 1.00 0.06 H new ATOM 0 HG3 ARG A 15 13.747 -10.607 8.130 1.00 0.06 H new ATOM 0 HD2 ARG A 15 13.585 -11.291 10.423 1.00 0.11 H new ATOM 0 HD3 ARG A 15 14.508 -9.801 10.410 1.00 0.11 H new ATOM 0 HE ARG A 15 11.604 -9.474 10.823 1.00 0.16 H new ATOM 0 HH11 ARG A 15 14.811 -9.796 12.280 1.00 0.20 H new ATOM 0 HH12 ARG A 15 14.303 -9.103 13.823 1.00 0.20 H new ATOM 0 HH21 ARG A 15 10.957 -8.606 12.803 1.00 0.26 H new ATOM 0 HH22 ARG A 15 12.123 -8.430 14.118 1.00 0.26 H new ATOM 243 N ILE A 16 10.167 -8.821 6.961 1.00 0.03 N ATOM 244 CA ILE A 16 8.735 -8.755 7.223 1.00 0.04 C ATOM 245 C ILE A 16 8.198 -10.148 7.560 1.00 0.04 C ATOM 246 O ILE A 16 8.411 -11.101 6.808 1.00 0.04 O ATOM 247 CB ILE A 16 7.953 -8.186 6.017 1.00 0.05 C ATOM 248 CG1 ILE A 16 8.532 -6.835 5.593 1.00 0.08 C ATOM 249 CG2 ILE A 16 6.474 -8.047 6.358 1.00 0.06 C ATOM 250 CD1 ILE A 16 8.169 -6.429 4.180 1.00 0.07 C ATOM 0 H ILE A 16 10.445 -9.581 6.341 1.00 0.03 H new ATOM 0 HA ILE A 16 8.591 -8.083 8.069 1.00 0.04 H new ATOM 0 HB ILE A 16 8.052 -8.881 5.183 1.00 0.05 H new ATOM 0 HG12 ILE A 16 8.181 -6.068 6.283 1.00 0.08 H new ATOM 0 HG13 ILE A 16 9.618 -6.872 5.683 1.00 0.08 H new ATOM 0 HG21 ILE A 16 5.939 -7.645 5.498 1.00 0.06 H new ATOM 0 HG22 ILE A 16 6.066 -9.025 6.615 1.00 0.06 H new ATOM 0 HG23 ILE A 16 6.358 -7.372 7.206 1.00 0.06 H new ATOM 0 HD11 ILE A 16 8.616 -5.461 3.953 1.00 0.07 H new ATOM 0 HD12 ILE A 16 8.544 -7.175 3.479 1.00 0.07 H new ATOM 0 HD13 ILE A 16 7.085 -6.358 4.089 1.00 0.07 H new ATOM 262 N TYR A 17 7.534 -10.254 8.710 1.00 0.08 N ATOM 263 CA TYR A 17 6.951 -11.512 9.187 1.00 0.11 C ATOM 264 C TYR A 17 8.039 -12.549 9.464 1.00 0.19 C ATOM 265 O TYR A 17 7.776 -13.751 9.504 1.00 0.56 O ATOM 266 CB TYR A 17 5.928 -12.060 8.182 1.00 0.04 C ATOM 267 CG TYR A 17 4.754 -12.764 8.827 1.00 0.09 C ATOM 268 CD1 TYR A 17 3.874 -12.073 9.654 1.00 0.18 C ATOM 269 CD2 TYR A 17 4.524 -14.114 8.610 1.00 0.08 C ATOM 270 CE1 TYR A 17 2.798 -12.712 10.242 1.00 0.23 C ATOM 271 CE2 TYR A 17 3.450 -14.760 9.192 1.00 0.12 C ATOM 272 CZ TYR A 17 2.593 -14.054 10.009 1.00 0.20 C ATOM 273 OH TYR A 17 1.524 -14.694 10.593 1.00 0.25 O ATOM 0 H TYR A 17 7.383 -9.467 9.342 1.00 0.08 H new ATOM 0 HA TYR A 17 6.432 -11.304 10.123 1.00 0.11 H new ATOM 0 HB2 TYR A 17 5.556 -11.237 7.572 1.00 0.04 H new ATOM 0 HB3 TYR A 17 6.430 -12.754 7.508 1.00 0.04 H new ATOM 0 HD1 TYR A 17 4.034 -11.021 9.840 1.00 0.18 H new ATOM 0 HD2 TYR A 17 5.197 -14.671 7.974 1.00 0.08 H new ATOM 0 HE1 TYR A 17 2.122 -12.162 10.880 1.00 0.23 H new ATOM 0 HE2 TYR A 17 3.283 -15.811 9.008 1.00 0.12 H new ATOM 0 HH TYR A 17 1.522 -15.637 10.326 1.00 0.25 H new ATOM 283 N GLY A 18 9.263 -12.072 9.650 1.00 0.18 N ATOM 284 CA GLY A 18 10.376 -12.960 9.932 1.00 0.13 C ATOM 285 C GLY A 18 11.202 -13.291 8.704 1.00 0.05 C ATOM 286 O GLY A 18 12.325 -13.780 8.826 1.00 0.11 O ATOM 0 H GLY A 18 9.506 -11.082 9.611 1.00 0.18 H new ATOM 0 HA2 GLY A 18 11.019 -12.499 10.681 1.00 0.13 H new ATOM 0 HA3 GLY A 18 9.994 -13.884 10.365 1.00 0.13 H new ATOM 290 N GLN A 19 10.663 -13.017 7.524 1.00 0.05 N ATOM 291 CA GLN A 19 11.369 -13.297 6.282 1.00 0.10 C ATOM 292 C GLN A 19 11.967 -12.025 5.697 1.00 0.05 C ATOM 293 O GLN A 19 11.427 -10.936 5.881 1.00 0.08 O ATOM 294 CB GLN A 19 10.431 -13.945 5.263 1.00 0.19 C ATOM 295 CG GLN A 19 10.188 -15.426 5.509 1.00 0.14 C ATOM 296 CD GLN A 19 8.755 -15.729 5.899 1.00 0.49 C ATOM 297 OE1 GLN A 19 7.913 -16.009 5.048 1.00 0.68 O ATOM 298 NE2 GLN A 19 8.467 -15.680 7.191 1.00 0.67 N ATOM 0 H GLN A 19 9.740 -12.601 7.401 1.00 0.05 H new ATOM 0 HA GLN A 19 12.179 -13.990 6.509 1.00 0.10 H new ATOM 0 HB2 GLN A 19 9.475 -13.422 5.279 1.00 0.19 H new ATOM 0 HB3 GLN A 19 10.849 -13.816 4.265 1.00 0.19 H new ATOM 0 HG2 GLN A 19 10.441 -15.986 4.608 1.00 0.14 H new ATOM 0 HG3 GLN A 19 10.856 -15.773 6.298 1.00 0.14 H new ATOM 0 HE21 GLN A 19 9.194 -15.444 7.867 1.00 0.67 H new ATOM 0 HE22 GLN A 19 7.519 -15.879 7.510 1.00 0.67 H new ATOM 307 N ASP A 20 13.083 -12.164 4.999 1.00 0.12 N ATOM 308 CA ASP A 20 13.753 -11.027 4.384 1.00 0.10 C ATOM 309 C ASP A 20 13.279 -10.840 2.945 1.00 0.09 C ATOM 310 O ASP A 20 13.046 -11.812 2.221 1.00 0.10 O ATOM 311 CB ASP A 20 15.276 -11.209 4.435 1.00 0.17 C ATOM 312 CG ASP A 20 15.794 -12.179 3.389 1.00 0.39 C ATOM 313 OD1 ASP A 20 15.510 -13.389 3.499 1.00 0.55 O ATOM 314 OD2 ASP A 20 16.495 -11.730 2.460 1.00 0.49 O1- ATOM 0 H ASP A 20 13.547 -13.059 4.843 1.00 0.12 H new ATOM 0 HA ASP A 20 13.497 -10.129 4.947 1.00 0.10 H new ATOM 0 HB2 ASP A 20 15.757 -10.241 4.294 1.00 0.17 H new ATOM 0 HB3 ASP A 20 15.561 -11.565 5.425 1.00 0.17 H new ATOM 319 N TYR A 21 13.119 -9.587 2.540 1.00 0.07 N ATOM 320 CA TYR A 21 12.658 -9.262 1.195 1.00 0.07 C ATOM 321 C TYR A 21 13.450 -8.106 0.607 1.00 0.07 C ATOM 322 O TYR A 21 13.714 -7.116 1.290 1.00 0.16 O ATOM 323 CB TYR A 21 11.173 -8.894 1.212 1.00 0.05 C ATOM 324 CG TYR A 21 10.286 -9.995 1.740 1.00 0.07 C ATOM 325 CD1 TYR A 21 9.981 -11.101 0.957 1.00 0.15 C ATOM 326 CD2 TYR A 21 9.764 -9.935 3.027 1.00 0.05 C ATOM 327 CE1 TYR A 21 9.182 -12.116 1.441 1.00 0.17 C ATOM 328 CE2 TYR A 21 8.966 -10.950 3.518 1.00 0.08 C ATOM 329 CZ TYR A 21 8.679 -12.037 2.722 1.00 0.12 C ATOM 330 OH TYR A 21 7.885 -13.051 3.206 1.00 0.15 O ATOM 0 H TYR A 21 13.303 -8.774 3.127 1.00 0.07 H new ATOM 0 HA TYR A 21 12.809 -10.146 0.575 1.00 0.07 H new ATOM 0 HB2 TYR A 21 11.035 -8.002 1.823 1.00 0.05 H new ATOM 0 HB3 TYR A 21 10.858 -8.639 0.200 1.00 0.05 H new ATOM 0 HD1 TYR A 21 10.375 -11.167 -0.046 1.00 0.15 H new ATOM 0 HD2 TYR A 21 9.986 -9.083 3.652 1.00 0.05 H new ATOM 0 HE1 TYR A 21 8.952 -12.969 0.819 1.00 0.17 H new ATOM 0 HE2 TYR A 21 8.569 -10.892 4.521 1.00 0.08 H new ATOM 0 HH TYR A 21 7.613 -12.844 4.124 1.00 0.15 H new ATOM 340 N THR A 22 13.835 -8.243 -0.652 1.00 0.19 N ATOM 341 CA THR A 22 14.577 -7.205 -1.342 1.00 0.20 C ATOM 342 C THR A 22 13.622 -6.314 -2.129 1.00 0.21 C ATOM 343 O THR A 22 12.888 -6.793 -2.992 1.00 0.38 O ATOM 344 CB THR A 22 15.612 -7.806 -2.304 1.00 0.25 C ATOM 345 OG1 THR A 22 15.763 -9.208 -2.047 1.00 0.19 O ATOM 346 CG2 THR A 22 16.953 -7.110 -2.145 1.00 0.32 C ATOM 0 H THR A 22 13.643 -9.069 -1.218 1.00 0.19 H new ATOM 0 HA THR A 22 15.100 -6.615 -0.589 1.00 0.20 H new ATOM 0 HB THR A 22 15.260 -7.662 -3.325 1.00 0.25 H new ATOM 0 HG1 THR A 22 16.423 -9.585 -2.665 1.00 0.19 H new ATOM 0 HG21 THR A 22 17.675 -7.549 -2.834 1.00 0.32 H new ATOM 0 HG22 THR A 22 16.840 -6.048 -2.365 1.00 0.32 H new ATOM 0 HG23 THR A 22 17.308 -7.233 -1.122 1.00 0.32 H new ATOM 354 N ILE A 23 13.633 -5.028 -1.824 1.00 0.16 N ATOM 355 CA ILE A 23 12.761 -4.078 -2.502 1.00 0.16 C ATOM 356 C ILE A 23 13.561 -2.895 -3.032 1.00 0.15 C ATOM 357 O ILE A 23 14.741 -2.742 -2.711 1.00 0.13 O ATOM 358 CB ILE A 23 11.630 -3.579 -1.572 1.00 0.17 C ATOM 359 CG1 ILE A 23 12.186 -3.248 -0.177 1.00 0.05 C ATOM 360 CG2 ILE A 23 10.525 -4.626 -1.492 1.00 0.31 C ATOM 361 CD1 ILE A 23 11.149 -2.750 0.806 1.00 0.06 C ATOM 0 H ILE A 23 14.235 -4.615 -1.112 1.00 0.16 H new ATOM 0 HA ILE A 23 12.302 -4.600 -3.342 1.00 0.16 H new ATOM 0 HB ILE A 23 11.206 -2.664 -1.985 1.00 0.17 H new ATOM 0 HG12 ILE A 23 12.659 -4.140 0.233 1.00 0.05 H new ATOM 0 HG13 ILE A 23 12.965 -2.492 -0.279 1.00 0.05 H new ATOM 0 HG21 ILE A 23 9.732 -4.268 -0.836 1.00 0.31 H new ATOM 0 HG22 ILE A 23 10.119 -4.804 -2.488 1.00 0.31 H new ATOM 0 HG23 ILE A 23 10.933 -5.556 -1.095 1.00 0.31 H new ATOM 0 HD11 ILE A 23 11.626 -2.541 1.763 1.00 0.06 H new ATOM 0 HD12 ILE A 23 10.691 -1.838 0.422 1.00 0.06 H new ATOM 0 HD13 ILE A 23 10.381 -3.512 0.942 1.00 0.06 H new ATOM 373 N VAL A 24 12.921 -2.062 -3.839 1.00 0.16 N ATOM 374 CA VAL A 24 13.587 -0.906 -4.425 1.00 0.15 C ATOM 375 C VAL A 24 13.368 0.341 -3.575 1.00 0.15 C ATOM 376 O VAL A 24 12.257 0.862 -3.492 1.00 0.15 O ATOM 377 CB VAL A 24 13.081 -0.631 -5.857 1.00 0.17 C ATOM 378 CG1 VAL A 24 13.872 0.498 -6.501 1.00 0.17 C ATOM 379 CG2 VAL A 24 13.155 -1.893 -6.706 1.00 0.18 C ATOM 0 H VAL A 24 11.941 -2.164 -4.104 1.00 0.16 H new ATOM 0 HA VAL A 24 14.651 -1.138 -4.461 1.00 0.15 H new ATOM 0 HB VAL A 24 12.037 -0.323 -5.795 1.00 0.17 H new ATOM 0 HG11 VAL A 24 13.498 0.675 -7.510 1.00 0.17 H new ATOM 0 HG12 VAL A 24 13.759 1.406 -5.908 1.00 0.17 H new ATOM 0 HG13 VAL A 24 14.926 0.224 -6.547 1.00 0.17 H new ATOM 0 HG21 VAL A 24 12.794 -1.677 -7.711 1.00 0.18 H new ATOM 0 HG22 VAL A 24 14.188 -2.237 -6.758 1.00 0.18 H new ATOM 0 HG23 VAL A 24 12.536 -2.670 -6.257 1.00 0.18 H new ATOM 389 N GLY A 25 14.436 0.826 -2.956 1.00 0.14 N ATOM 390 CA GLY A 25 14.340 2.002 -2.122 1.00 0.13 C ATOM 391 C GLY A 25 15.266 3.102 -2.584 1.00 0.11 C ATOM 392 O GLY A 25 16.292 3.365 -1.961 1.00 0.08 O ATOM 0 H GLY A 25 15.370 0.422 -3.019 1.00 0.14 H new ATOM 0 HA2 GLY A 25 13.313 2.367 -2.127 1.00 0.13 H new ATOM 0 HA3 GLY A 25 14.579 1.736 -1.092 1.00 0.13 H new ATOM 396 N ALA A 26 14.898 3.757 -3.676 1.00 0.15 N ATOM 397 CA ALA A 26 15.713 4.829 -4.231 1.00 0.17 C ATOM 398 C ALA A 26 15.245 6.198 -3.745 1.00 0.12 C ATOM 399 O ALA A 26 15.644 7.230 -4.286 1.00 0.19 O ATOM 400 CB ALA A 26 15.694 4.769 -5.750 1.00 0.27 C ATOM 0 H ALA A 26 14.041 3.565 -4.195 1.00 0.15 H new ATOM 0 HA ALA A 26 16.736 4.688 -3.882 1.00 0.17 H new ATOM 0 HB1 ALA A 26 16.307 5.575 -6.154 1.00 0.27 H new ATOM 0 HB2 ALA A 26 16.092 3.810 -6.081 1.00 0.27 H new ATOM 0 HB3 ALA A 26 14.670 4.879 -6.106 1.00 0.27 H new ATOM 406 N GLU A 27 14.402 6.204 -2.722 1.00 0.11 N ATOM 407 CA GLU A 27 13.885 7.450 -2.172 1.00 0.05 C ATOM 408 C GLU A 27 14.739 7.906 -0.984 1.00 0.10 C ATOM 409 O GLU A 27 15.381 8.958 -1.044 1.00 0.20 O ATOM 410 CB GLU A 27 12.411 7.286 -1.770 1.00 0.11 C ATOM 411 CG GLU A 27 11.719 8.593 -1.409 1.00 0.78 C ATOM 412 CD GLU A 27 11.849 8.929 0.062 1.00 1.22 C ATOM 413 OE1 GLU A 27 11.704 8.014 0.897 1.00 1.58 O1- ATOM 414 OE2 GLU A 27 12.110 10.102 0.393 1.00 1.46 O ATOM 0 H GLU A 27 14.062 5.362 -2.257 1.00 0.11 H new ATOM 0 HA GLU A 27 13.940 8.223 -2.939 1.00 0.05 H new ATOM 0 HB2 GLU A 27 11.871 6.816 -2.592 1.00 0.11 H new ATOM 0 HB3 GLU A 27 12.350 6.607 -0.919 1.00 0.11 H new ATOM 0 HG2 GLU A 27 12.145 9.402 -2.003 1.00 0.78 H new ATOM 0 HG3 GLU A 27 10.663 8.526 -1.672 1.00 0.78 H new ATOM 421 N SER A 28 14.752 7.116 0.084 1.00 0.11 N ATOM 422 CA SER A 28 15.535 7.443 1.267 1.00 0.17 C ATOM 423 C SER A 28 15.721 6.201 2.128 1.00 0.18 C ATOM 424 O SER A 28 14.802 5.387 2.258 1.00 0.15 O ATOM 425 CB SER A 28 14.850 8.541 2.089 1.00 0.18 C ATOM 426 OG SER A 28 13.620 8.087 2.624 1.00 0.26 O ATOM 0 H SER A 28 14.228 6.244 0.153 1.00 0.11 H new ATOM 0 HA SER A 28 16.509 7.809 0.941 1.00 0.17 H new ATOM 0 HB2 SER A 28 15.508 8.857 2.899 1.00 0.18 H new ATOM 0 HB3 SER A 28 14.676 9.415 1.461 1.00 0.18 H new ATOM 0 HG SER A 28 13.058 7.736 1.901 1.00 0.26 H new ATOM 432 N PRO A 29 16.910 6.034 2.723 1.00 0.23 N ATOM 433 CA PRO A 29 17.208 4.887 3.587 1.00 0.26 C ATOM 434 C PRO A 29 16.435 4.940 4.906 1.00 0.28 C ATOM 435 O PRO A 29 16.453 3.989 5.690 1.00 0.34 O ATOM 436 CB PRO A 29 18.713 5.013 3.840 1.00 0.31 C ATOM 437 CG PRO A 29 19.008 6.462 3.653 1.00 0.31 C ATOM 438 CD PRO A 29 18.064 6.943 2.588 1.00 0.25 C ATOM 0 HA PRO A 29 16.920 3.942 3.126 1.00 0.26 H new ATOM 0 HB2 PRO A 29 18.975 4.682 4.845 1.00 0.31 H new ATOM 0 HB3 PRO A 29 19.284 4.399 3.144 1.00 0.31 H new ATOM 0 HG2 PRO A 29 18.861 7.013 4.582 1.00 0.31 H new ATOM 0 HG3 PRO A 29 20.045 6.613 3.353 1.00 0.31 H new ATOM 0 HD2 PRO A 29 17.777 7.983 2.744 1.00 0.25 H new ATOM 0 HD3 PRO A 29 18.511 6.881 1.596 1.00 0.25 H new ATOM 446 N ALA A 30 15.753 6.052 5.141 1.00 0.27 N ATOM 447 CA ALA A 30 14.982 6.237 6.360 1.00 0.30 C ATOM 448 C ALA A 30 13.566 5.689 6.218 1.00 0.18 C ATOM 449 O ALA A 30 13.122 4.877 7.030 1.00 0.15 O ATOM 450 CB ALA A 30 14.946 7.709 6.742 1.00 0.41 C ATOM 0 H ALA A 30 15.719 6.844 4.499 1.00 0.27 H new ATOM 0 HA ALA A 30 15.475 5.676 7.154 1.00 0.30 H new ATOM 0 HB1 ALA A 30 14.366 7.834 7.656 1.00 0.41 H new ATOM 0 HB2 ALA A 30 15.962 8.067 6.906 1.00 0.41 H new ATOM 0 HB3 ALA A 30 14.484 8.282 5.938 1.00 0.41 H new ATOM 456 N HIS A 31 12.862 6.119 5.176 1.00 0.13 N ATOM 457 CA HIS A 31 11.483 5.680 4.955 1.00 0.10 C ATOM 458 C HIS A 31 11.412 4.183 4.695 1.00 0.09 C ATOM 459 O HIS A 31 10.573 3.487 5.265 1.00 0.19 O ATOM 460 CB HIS A 31 10.847 6.421 3.777 1.00 0.21 C ATOM 461 CG HIS A 31 10.516 7.856 4.056 1.00 0.05 C ATOM 462 ND1 HIS A 31 10.837 8.873 3.194 1.00 0.28 N ATOM 463 CD2 HIS A 31 9.892 8.441 5.108 1.00 0.12 C ATOM 464 CE1 HIS A 31 10.437 10.019 3.696 1.00 0.41 C ATOM 465 NE2 HIS A 31 9.857 9.792 4.858 1.00 0.32 N ATOM 0 H HIS A 31 13.218 6.767 4.473 1.00 0.13 H new ATOM 0 HA HIS A 31 10.930 5.911 5.866 1.00 0.10 H new ATOM 0 HB2 HIS A 31 11.526 6.376 2.926 1.00 0.21 H new ATOM 0 HB3 HIS A 31 9.935 5.900 3.485 1.00 0.21 H new ATOM 0 HD1 HIS A 31 11.314 8.757 2.300 1.00 0.28 H new ATOM 0 HD2 HIS A 31 9.497 7.939 5.979 1.00 0.12 H new ATOM 0 HE1 HIS A 31 10.562 10.987 3.234 1.00 0.41 H new ATOM 0 HE2 HIS A 31 9.450 10.500 5.469 1.00 0.32 H new ATOM 474 N ILE A 32 12.314 3.688 3.858 1.00 0.08 N ATOM 475 CA ILE A 32 12.344 2.269 3.502 1.00 0.20 C ATOM 476 C ILE A 32 12.713 1.384 4.694 1.00 0.27 C ATOM 477 O ILE A 32 12.666 0.161 4.606 1.00 0.36 O ATOM 478 CB ILE A 32 13.314 1.996 2.330 1.00 0.23 C ATOM 479 CG1 ILE A 32 14.768 2.262 2.751 1.00 0.25 C ATOM 480 CG2 ILE A 32 12.927 2.854 1.131 1.00 0.18 C ATOM 481 CD1 ILE A 32 15.781 2.002 1.655 1.00 0.30 C ATOM 0 H ILE A 32 13.039 4.248 3.409 1.00 0.08 H new ATOM 0 HA ILE A 32 11.332 2.013 3.187 1.00 0.20 H new ATOM 0 HB ILE A 32 13.240 0.946 2.047 1.00 0.23 H new ATOM 0 HG12 ILE A 32 14.858 3.298 3.077 1.00 0.25 H new ATOM 0 HG13 ILE A 32 15.008 1.635 3.610 1.00 0.25 H new ATOM 0 HG21 ILE A 32 13.613 2.659 0.307 1.00 0.18 H new ATOM 0 HG22 ILE A 32 11.910 2.610 0.822 1.00 0.18 H new ATOM 0 HG23 ILE A 32 12.980 3.908 1.405 1.00 0.18 H new ATOM 0 HD11 ILE A 32 16.783 2.212 2.029 1.00 0.30 H new ATOM 0 HD12 ILE A 32 15.721 0.959 1.344 1.00 0.30 H new ATOM 0 HD13 ILE A 32 15.569 2.648 0.803 1.00 0.30 H new ATOM 493 N ARG A 33 13.065 2.003 5.809 1.00 0.25 N ATOM 494 CA ARG A 33 13.422 1.257 7.003 1.00 0.32 C ATOM 495 C ARG A 33 12.190 1.025 7.875 1.00 0.34 C ATOM 496 O ARG A 33 12.149 0.086 8.667 1.00 0.57 O ATOM 497 CB ARG A 33 14.485 2.008 7.810 1.00 0.34 C ATOM 498 CG ARG A 33 15.745 1.198 8.080 1.00 0.38 C ATOM 499 CD ARG A 33 16.593 1.037 6.828 1.00 0.37 C ATOM 500 NE ARG A 33 17.984 0.730 7.153 1.00 0.36 N ATOM 501 CZ ARG A 33 18.961 1.640 7.197 1.00 0.68 C ATOM 502 NH1 ARG A 33 18.713 2.910 6.897 1.00 1.01 N1+ ATOM 503 NH2 ARG A 33 20.186 1.274 7.538 1.00 0.84 N ATOM 0 H ARG A 33 13.111 3.017 5.912 1.00 0.25 H new ATOM 0 HA ARG A 33 13.827 0.294 6.691 1.00 0.32 H new ATOM 0 HB2 ARG A 33 14.758 2.917 7.274 1.00 0.34 H new ATOM 0 HB3 ARG A 33 14.053 2.316 8.762 1.00 0.34 H new ATOM 0 HG2 ARG A 33 16.333 1.688 8.856 1.00 0.38 H new ATOM 0 HG3 ARG A 33 15.470 0.215 8.461 1.00 0.38 H new ATOM 0 HD2 ARG A 33 16.180 0.241 6.209 1.00 0.37 H new ATOM 0 HD3 ARG A 33 16.551 1.953 6.239 1.00 0.37 H new ATOM 0 HE ARG A 33 18.224 -0.240 7.359 1.00 0.36 H new ATOM 0 HH11 ARG A 33 17.771 3.197 6.631 1.00 1.01 H new ATOM 0 HH12 ARG A 33 19.465 3.599 6.933 1.00 1.01 H new ATOM 0 HH21 ARG A 33 20.382 0.299 7.766 1.00 0.84 H new ATOM 0 HH22 ARG A 33 20.934 1.966 7.573 1.00 0.84 H new ATOM 517 N LEU A 34 11.182 1.879 7.714 1.00 0.14 N ATOM 518 CA LEU A 34 9.964 1.773 8.514 1.00 0.15 C ATOM 519 C LEU A 34 8.811 1.137 7.735 1.00 0.16 C ATOM 520 O LEU A 34 7.866 0.626 8.338 1.00 0.17 O ATOM 521 CB LEU A 34 9.551 3.153 9.061 1.00 0.13 C ATOM 522 CG LEU A 34 9.173 4.211 8.018 1.00 0.07 C ATOM 523 CD1 LEU A 34 7.661 4.312 7.875 1.00 0.12 C ATOM 524 CD2 LEU A 34 9.758 5.560 8.399 1.00 0.04 C ATOM 0 H LEU A 34 11.183 2.647 7.042 1.00 0.14 H new ATOM 0 HA LEU A 34 10.189 1.113 9.352 1.00 0.15 H new ATOM 0 HB2 LEU A 34 8.703 3.015 9.732 1.00 0.13 H new ATOM 0 HB3 LEU A 34 10.373 3.543 9.662 1.00 0.13 H new ATOM 0 HG LEU A 34 9.588 3.908 7.057 1.00 0.07 H new ATOM 0 HD11 LEU A 34 7.416 5.069 7.130 1.00 0.12 H new ATOM 0 HD12 LEU A 34 7.260 3.349 7.560 1.00 0.12 H new ATOM 0 HD13 LEU A 34 7.223 4.591 8.833 1.00 0.12 H new ATOM 0 HD21 LEU A 34 9.481 6.301 7.649 1.00 0.04 H new ATOM 0 HD22 LEU A 34 9.369 5.864 9.371 1.00 0.04 H new ATOM 0 HD23 LEU A 34 10.844 5.484 8.451 1.00 0.04 H new ATOM 536 N VAL A 35 8.891 1.148 6.407 1.00 0.16 N ATOM 537 CA VAL A 35 7.828 0.574 5.575 1.00 0.16 C ATOM 538 C VAL A 35 7.635 -0.917 5.852 1.00 0.13 C ATOM 539 O VAL A 35 6.519 -1.432 5.778 1.00 0.12 O ATOM 540 CB VAL A 35 8.092 0.788 4.067 1.00 0.20 C ATOM 541 CG1 VAL A 35 8.073 2.269 3.731 1.00 0.18 C ATOM 542 CG2 VAL A 35 9.410 0.153 3.646 1.00 0.25 C ATOM 0 H VAL A 35 9.672 1.544 5.884 1.00 0.16 H new ATOM 0 HA VAL A 35 6.914 1.103 5.845 1.00 0.16 H new ATOM 0 HB VAL A 35 7.294 0.298 3.509 1.00 0.20 H new ATOM 0 HG11 VAL A 35 8.260 2.403 2.666 1.00 0.18 H new ATOM 0 HG12 VAL A 35 7.098 2.687 3.983 1.00 0.18 H new ATOM 0 HG13 VAL A 35 8.847 2.782 4.303 1.00 0.18 H new ATOM 0 HG21 VAL A 35 9.570 0.319 2.581 1.00 0.25 H new ATOM 0 HG22 VAL A 35 10.227 0.603 4.210 1.00 0.25 H new ATOM 0 HG23 VAL A 35 9.378 -0.918 3.845 1.00 0.25 H new ATOM 552 N ALA A 36 8.723 -1.599 6.193 1.00 0.14 N ATOM 553 CA ALA A 36 8.679 -3.024 6.482 1.00 0.15 C ATOM 554 C ALA A 36 7.887 -3.299 7.755 1.00 0.12 C ATOM 555 O ALA A 36 7.002 -4.155 7.776 1.00 0.11 O ATOM 556 CB ALA A 36 10.088 -3.572 6.606 1.00 0.18 C ATOM 0 H ALA A 36 9.651 -1.183 6.276 1.00 0.14 H new ATOM 0 HA ALA A 36 8.174 -3.527 5.657 1.00 0.15 H new ATOM 0 HB1 ALA A 36 10.045 -4.639 6.822 1.00 0.18 H new ATOM 0 HB2 ALA A 36 10.624 -3.412 5.670 1.00 0.18 H new ATOM 0 HB3 ALA A 36 10.608 -3.058 7.414 1.00 0.18 H new ATOM 562 N ALA A 37 8.198 -2.547 8.806 1.00 0.13 N ATOM 563 CA ALA A 37 7.523 -2.702 10.088 1.00 0.11 C ATOM 564 C ALA A 37 6.044 -2.350 9.964 1.00 0.14 C ATOM 565 O ALA A 37 5.200 -2.907 10.668 1.00 0.20 O ATOM 566 CB ALA A 37 8.190 -1.834 11.144 1.00 0.13 C ATOM 0 H ALA A 37 8.916 -1.822 8.794 1.00 0.13 H new ATOM 0 HA ALA A 37 7.601 -3.745 10.395 1.00 0.11 H new ATOM 0 HB1 ALA A 37 7.675 -1.960 12.097 1.00 0.13 H new ATOM 0 HB2 ALA A 37 9.233 -2.131 11.253 1.00 0.13 H new ATOM 0 HB3 ALA A 37 8.140 -0.788 10.840 1.00 0.13 H new ATOM 572 N PHE A 38 5.743 -1.427 9.057 1.00 0.15 N ATOM 573 CA PHE A 38 4.372 -0.999 8.819 1.00 0.21 C ATOM 574 C PHE A 38 3.523 -2.169 8.328 1.00 0.21 C ATOM 575 O PHE A 38 2.464 -2.458 8.880 1.00 0.28 O ATOM 576 CB PHE A 38 4.350 0.136 7.789 1.00 0.26 C ATOM 577 CG PHE A 38 3.042 0.877 7.723 1.00 0.34 C ATOM 578 CD1 PHE A 38 1.991 0.394 6.955 1.00 0.35 C ATOM 579 CD2 PHE A 38 2.865 2.058 8.428 1.00 0.41 C ATOM 580 CE1 PHE A 38 0.790 1.075 6.893 1.00 0.43 C ATOM 581 CE2 PHE A 38 1.667 2.742 8.368 1.00 0.50 C ATOM 582 CZ PHE A 38 0.627 2.251 7.599 1.00 0.50 C ATOM 0 H PHE A 38 6.436 -0.959 8.472 1.00 0.15 H new ATOM 0 HA PHE A 38 3.952 -0.637 9.758 1.00 0.21 H new ATOM 0 HB2 PHE A 38 5.145 0.843 8.026 1.00 0.26 H new ATOM 0 HB3 PHE A 38 4.573 -0.276 6.805 1.00 0.26 H new ATOM 0 HD1 PHE A 38 2.113 -0.524 6.400 1.00 0.35 H new ATOM 0 HD2 PHE A 38 3.673 2.447 9.030 1.00 0.41 H new ATOM 0 HE1 PHE A 38 -0.020 0.688 6.293 1.00 0.43 H new ATOM 0 HE2 PHE A 38 1.542 3.661 8.922 1.00 0.50 H new ATOM 0 HZ PHE A 38 -0.310 2.786 7.551 1.00 0.50 H new ATOM 592 N VAL A 39 4.009 -2.849 7.297 1.00 0.16 N ATOM 593 CA VAL A 39 3.300 -3.985 6.723 1.00 0.17 C ATOM 594 C VAL A 39 3.324 -5.178 7.672 1.00 0.16 C ATOM 595 O VAL A 39 2.361 -5.948 7.745 1.00 0.18 O ATOM 596 CB VAL A 39 3.903 -4.381 5.362 1.00 0.15 C ATOM 597 CG1 VAL A 39 3.212 -5.609 4.784 1.00 0.17 C ATOM 598 CG2 VAL A 39 3.803 -3.217 4.394 1.00 0.15 C ATOM 0 H VAL A 39 4.895 -2.632 6.840 1.00 0.16 H new ATOM 0 HA VAL A 39 2.264 -3.684 6.569 1.00 0.17 H new ATOM 0 HB VAL A 39 4.952 -4.632 5.516 1.00 0.15 H new ATOM 0 HG11 VAL A 39 3.662 -5.861 3.824 1.00 0.17 H new ATOM 0 HG12 VAL A 39 3.327 -6.448 5.470 1.00 0.17 H new ATOM 0 HG13 VAL A 39 2.152 -5.398 4.644 1.00 0.17 H new ATOM 0 HG21 VAL A 39 4.231 -3.504 3.434 1.00 0.15 H new ATOM 0 HG22 VAL A 39 2.756 -2.946 4.258 1.00 0.15 H new ATOM 0 HG23 VAL A 39 4.350 -2.363 4.794 1.00 0.15 H new ATOM 608 N ASP A 40 4.424 -5.320 8.407 1.00 0.12 N ATOM 609 CA ASP A 40 4.572 -6.410 9.368 1.00 0.11 C ATOM 610 C ASP A 40 3.436 -6.370 10.385 1.00 0.12 C ATOM 611 O ASP A 40 2.845 -7.401 10.722 1.00 0.13 O ATOM 612 CB ASP A 40 5.919 -6.310 10.089 1.00 0.09 C ATOM 613 CG ASP A 40 6.310 -7.602 10.778 1.00 0.09 C ATOM 614 OD1 ASP A 40 5.635 -7.989 11.754 1.00 1.14 O1- ATOM 615 OD2 ASP A 40 7.293 -8.235 10.346 1.00 1.03 O ATOM 0 H ASP A 40 5.227 -4.693 8.355 1.00 0.12 H new ATOM 0 HA ASP A 40 4.534 -7.355 8.827 1.00 0.11 H new ATOM 0 HB2 ASP A 40 6.692 -6.038 9.370 1.00 0.09 H new ATOM 0 HB3 ASP A 40 5.873 -5.509 10.827 1.00 0.09 H new ATOM 620 N ASP A 41 3.125 -5.165 10.855 1.00 0.12 N ATOM 621 CA ASP A 41 2.051 -4.968 11.822 1.00 0.13 C ATOM 622 C ASP A 41 0.707 -5.272 11.187 1.00 0.09 C ATOM 623 O ASP A 41 -0.132 -5.954 11.776 1.00 0.07 O ATOM 624 CB ASP A 41 2.034 -3.529 12.337 1.00 0.16 C ATOM 625 CG ASP A 41 3.013 -3.281 13.464 1.00 0.13 C ATOM 626 OD1 ASP A 41 3.467 -4.258 14.097 1.00 0.12 O1- ATOM 627 OD2 ASP A 41 3.334 -2.100 13.726 1.00 0.22 O ATOM 0 H ASP A 41 3.604 -4.308 10.580 1.00 0.12 H new ATOM 0 HA ASP A 41 2.231 -5.647 12.656 1.00 0.13 H new ATOM 0 HB2 ASP A 41 2.262 -2.853 11.513 1.00 0.16 H new ATOM 0 HB3 ASP A 41 1.028 -3.286 12.680 1.00 0.16 H new ATOM 632 N LYS A 42 0.522 -4.769 9.970 1.00 0.10 N ATOM 633 CA LYS A 42 -0.719 -4.964 9.234 1.00 0.11 C ATOM 634 C LYS A 42 -1.030 -6.449 9.060 1.00 0.03 C ATOM 635 O LYS A 42 -2.113 -6.905 9.423 1.00 0.07 O ATOM 636 CB LYS A 42 -0.647 -4.274 7.866 1.00 0.19 C ATOM 637 CG LYS A 42 -0.533 -2.755 7.938 1.00 0.26 C ATOM 638 CD LYS A 42 -1.785 -2.060 7.419 1.00 0.28 C ATOM 639 CE LYS A 42 -2.931 -2.137 8.417 1.00 0.31 C ATOM 640 NZ LYS A 42 -4.130 -1.391 7.949 1.00 0.38 N1+ ATOM 0 H LYS A 42 1.222 -4.220 9.471 1.00 0.10 H new ATOM 0 HA LYS A 42 -1.525 -4.514 9.814 1.00 0.11 H new ATOM 0 HB2 LYS A 42 0.210 -4.666 7.318 1.00 0.19 H new ATOM 0 HB3 LYS A 42 -1.537 -4.534 7.293 1.00 0.19 H new ATOM 0 HG2 LYS A 42 -0.354 -2.454 8.970 1.00 0.26 H new ATOM 0 HG3 LYS A 42 0.329 -2.429 7.356 1.00 0.26 H new ATOM 0 HD2 LYS A 42 -1.559 -1.015 7.206 1.00 0.28 H new ATOM 0 HD3 LYS A 42 -2.091 -2.518 6.478 1.00 0.28 H new ATOM 0 HE2 LYS A 42 -3.196 -3.181 8.584 1.00 0.31 H new ATOM 0 HE3 LYS A 42 -2.605 -1.734 9.375 1.00 0.31 H new ATOM 0 HZ1 LYS A 42 -4.928 -1.580 8.589 1.00 0.38 H new ATOM 0 HZ2 LYS A 42 -3.924 -0.372 7.943 1.00 0.38 H new ATOM 0 HZ3 LYS A 42 -4.377 -1.699 6.987 1.00 0.38 H new ATOM 654 N MET A 43 -0.076 -7.208 8.530 1.00 0.07 N ATOM 655 CA MET A 43 -0.273 -8.642 8.320 1.00 0.12 C ATOM 656 C MET A 43 -0.539 -9.351 9.643 1.00 0.16 C ATOM 657 O MET A 43 -1.304 -10.314 9.703 1.00 0.35 O ATOM 658 CB MET A 43 0.943 -9.272 7.632 1.00 0.18 C ATOM 659 CG MET A 43 1.017 -8.991 6.139 1.00 0.16 C ATOM 660 SD MET A 43 1.634 -10.396 5.188 1.00 0.26 S ATOM 661 CE MET A 43 3.171 -10.747 6.044 1.00 0.29 C ATOM 0 H MET A 43 0.837 -6.859 8.239 1.00 0.07 H new ATOM 0 HA MET A 43 -1.141 -8.762 7.672 1.00 0.12 H new ATOM 0 HB2 MET A 43 1.851 -8.901 8.108 1.00 0.18 H new ATOM 0 HB3 MET A 43 0.919 -10.350 7.789 1.00 0.18 H new ATOM 0 HG2 MET A 43 0.025 -8.721 5.776 1.00 0.16 H new ATOM 0 HG3 MET A 43 1.664 -8.131 5.968 1.00 0.16 H new ATOM 0 HE1 MET A 43 3.774 -11.429 5.444 1.00 0.29 H new ATOM 0 HE2 MET A 43 3.720 -9.819 6.201 1.00 0.29 H new ATOM 0 HE3 MET A 43 2.954 -11.207 7.008 1.00 0.29 H new ATOM 671 N HIS A 44 0.089 -8.864 10.702 1.00 0.02 N ATOM 672 CA HIS A 44 -0.075 -9.449 12.028 1.00 0.04 C ATOM 673 C HIS A 44 -1.489 -9.231 12.562 1.00 0.05 C ATOM 674 O HIS A 44 -2.081 -10.138 13.146 1.00 0.20 O ATOM 675 CB HIS A 44 0.948 -8.862 13.010 1.00 0.08 C ATOM 676 CG HIS A 44 2.153 -9.730 13.217 1.00 0.11 C ATOM 677 ND1 HIS A 44 3.418 -9.391 12.779 1.00 0.27 N ATOM 678 CD2 HIS A 44 2.282 -10.930 13.828 1.00 0.29 C ATOM 679 CE1 HIS A 44 4.267 -10.345 13.114 1.00 0.38 C ATOM 680 NE2 HIS A 44 3.602 -11.292 13.750 1.00 0.40 N ATOM 0 H HIS A 44 0.719 -8.063 10.671 1.00 0.02 H new ATOM 0 HA HIS A 44 0.095 -10.522 11.935 1.00 0.04 H new ATOM 0 HB2 HIS A 44 1.272 -7.888 12.644 1.00 0.08 H new ATOM 0 HB3 HIS A 44 0.462 -8.696 13.971 1.00 0.08 H new ATOM 0 HD1 HIS A 44 3.659 -8.537 12.275 1.00 0.27 H new ATOM 0 HD2 HIS A 44 1.490 -11.499 14.292 1.00 0.29 H new ATOM 0 HE1 HIS A 44 5.326 -10.350 12.903 1.00 0.38 H new ATOM 689 N GLU A 45 -2.035 -8.038 12.344 1.00 0.16 N ATOM 690 CA GLU A 45 -3.372 -7.714 12.830 1.00 0.15 C ATOM 691 C GLU A 45 -4.462 -8.338 11.952 1.00 0.15 C ATOM 692 O GLU A 45 -5.550 -8.641 12.431 1.00 0.17 O ATOM 693 CB GLU A 45 -3.563 -6.195 12.920 1.00 0.12 C ATOM 694 CG GLU A 45 -3.777 -5.514 11.575 1.00 0.09 C ATOM 695 CD GLU A 45 -3.996 -4.022 11.704 1.00 0.12 C ATOM 696 OE1 GLU A 45 -5.153 -3.606 11.921 1.00 0.16 O ATOM 697 OE2 GLU A 45 -3.018 -3.255 11.577 1.00 0.21 O1- ATOM 0 H GLU A 45 -1.574 -7.283 11.836 1.00 0.16 H new ATOM 0 HA GLU A 45 -3.467 -8.140 13.829 1.00 0.15 H new ATOM 0 HB2 GLU A 45 -4.419 -5.985 13.562 1.00 0.12 H new ATOM 0 HB3 GLU A 45 -2.688 -5.758 13.401 1.00 0.12 H new ATOM 0 HG2 GLU A 45 -2.911 -5.696 10.938 1.00 0.09 H new ATOM 0 HG3 GLU A 45 -4.638 -5.962 11.078 1.00 0.09 H new ATOM 704 N PHE A 46 -4.179 -8.535 10.671 1.00 0.15 N ATOM 705 CA PHE A 46 -5.162 -9.132 9.774 1.00 0.14 C ATOM 706 C PHE A 46 -5.217 -10.641 9.974 1.00 0.16 C ATOM 707 O PHE A 46 -6.212 -11.290 9.645 1.00 0.17 O ATOM 708 CB PHE A 46 -4.850 -8.795 8.311 1.00 0.14 C ATOM 709 CG PHE A 46 -5.205 -7.383 7.931 1.00 0.15 C ATOM 710 CD1 PHE A 46 -6.486 -6.895 8.133 1.00 0.13 C ATOM 711 CD2 PHE A 46 -4.257 -6.542 7.369 1.00 0.18 C ATOM 712 CE1 PHE A 46 -6.813 -5.597 7.789 1.00 0.14 C ATOM 713 CE2 PHE A 46 -4.577 -5.244 7.023 1.00 0.19 C ATOM 714 CZ PHE A 46 -5.857 -4.772 7.232 1.00 0.17 C ATOM 0 H PHE A 46 -3.290 -8.294 10.233 1.00 0.15 H new ATOM 0 HA PHE A 46 -6.139 -8.712 10.015 1.00 0.14 H new ATOM 0 HB2 PHE A 46 -3.788 -8.956 8.128 1.00 0.14 H new ATOM 0 HB3 PHE A 46 -5.393 -9.484 7.664 1.00 0.14 H new ATOM 0 HD1 PHE A 46 -7.239 -7.538 8.565 1.00 0.13 H new ATOM 0 HD2 PHE A 46 -3.255 -6.907 7.200 1.00 0.18 H new ATOM 0 HE1 PHE A 46 -7.815 -5.229 7.956 1.00 0.14 H new ATOM 0 HE2 PHE A 46 -3.827 -4.599 6.590 1.00 0.19 H new ATOM 0 HZ PHE A 46 -6.110 -3.758 6.960 1.00 0.17 H new ATOM 724 N SER A 47 -4.149 -11.189 10.534 1.00 0.21 N ATOM 725 CA SER A 47 -4.061 -12.617 10.798 1.00 0.23 C ATOM 726 C SER A 47 -5.127 -13.058 11.810 1.00 0.21 C ATOM 727 O SER A 47 -5.695 -14.145 11.691 1.00 0.32 O ATOM 728 CB SER A 47 -2.658 -12.962 11.309 1.00 0.25 C ATOM 729 OG SER A 47 -2.307 -14.300 10.996 1.00 0.76 O ATOM 0 H SER A 47 -3.324 -10.660 10.817 1.00 0.21 H new ATOM 0 HA SER A 47 -4.245 -13.155 9.868 1.00 0.23 H new ATOM 0 HB2 SER A 47 -1.931 -12.281 10.867 1.00 0.25 H new ATOM 0 HB3 SER A 47 -2.616 -12.816 12.388 1.00 0.25 H new ATOM 0 HG SER A 47 -1.407 -14.489 11.333 1.00 0.76 H new ATOM 735 N GLU A 48 -5.423 -12.199 12.784 1.00 0.09 N ATOM 736 CA GLU A 48 -6.425 -12.521 13.799 1.00 0.08 C ATOM 737 C GLU A 48 -7.837 -12.353 13.241 1.00 0.10 C ATOM 738 O GLU A 48 -8.810 -12.844 13.819 1.00 0.07 O ATOM 739 CB GLU A 48 -6.223 -11.667 15.061 1.00 0.11 C ATOM 740 CG GLU A 48 -6.478 -10.177 14.876 1.00 0.06 C ATOM 741 CD GLU A 48 -7.914 -9.780 15.171 1.00 0.28 C ATOM 742 OE1 GLU A 48 -8.487 -10.292 16.153 1.00 0.61 O ATOM 743 OE2 GLU A 48 -8.424 -9.002 14.422 1.00 0.49 O1- ATOM 0 H GLU A 48 -4.988 -11.283 12.892 1.00 0.09 H new ATOM 0 HA GLU A 48 -6.298 -13.566 14.080 1.00 0.08 H new ATOM 0 HB2 GLU A 48 -6.884 -12.039 15.843 1.00 0.11 H new ATOM 0 HB3 GLU A 48 -5.201 -11.804 15.415 1.00 0.11 H new ATOM 0 HG2 GLU A 48 -5.810 -9.616 15.529 1.00 0.06 H new ATOM 0 HG3 GLU A 48 -6.232 -9.896 13.852 1.00 0.06 H new ATOM 750 N LYS A 49 -7.946 -11.665 12.108 1.00 0.14 N ATOM 751 CA LYS A 49 -9.236 -11.439 11.470 1.00 0.18 C ATOM 752 C LYS A 49 -9.745 -12.720 10.821 1.00 0.27 C ATOM 753 O LYS A 49 -10.951 -12.979 10.801 1.00 0.38 O ATOM 754 CB LYS A 49 -9.130 -10.330 10.416 1.00 0.12 C ATOM 755 CG LYS A 49 -8.985 -8.931 11.000 1.00 0.20 C ATOM 756 CD LYS A 49 -10.303 -8.164 10.979 1.00 0.43 C ATOM 757 CE LYS A 49 -11.218 -8.562 12.126 1.00 0.64 C ATOM 758 NZ LYS A 49 -10.711 -8.072 13.434 1.00 0.88 N1+ ATOM 0 H LYS A 49 -7.154 -11.254 11.613 1.00 0.14 H new ATOM 0 HA LYS A 49 -9.943 -11.128 12.239 1.00 0.18 H new ATOM 0 HB2 LYS A 49 -8.274 -10.535 9.773 1.00 0.12 H new ATOM 0 HB3 LYS A 49 -10.017 -10.358 9.784 1.00 0.12 H new ATOM 0 HG2 LYS A 49 -8.623 -9.002 12.026 1.00 0.20 H new ATOM 0 HG3 LYS A 49 -8.235 -8.378 10.435 1.00 0.20 H new ATOM 0 HD2 LYS A 49 -10.100 -7.094 11.033 1.00 0.43 H new ATOM 0 HD3 LYS A 49 -10.811 -8.344 10.032 1.00 0.43 H new ATOM 0 HE2 LYS A 49 -12.216 -8.161 11.950 1.00 0.64 H new ATOM 0 HE3 LYS A 49 -11.311 -9.648 12.156 1.00 0.64 H new ATOM 0 HZ1 LYS A 49 -11.472 -8.119 14.141 1.00 0.88 H new ATOM 0 HZ2 LYS A 49 -9.915 -8.666 13.742 1.00 0.88 H new ATOM 0 HZ3 LYS A 49 -10.390 -7.088 13.335 1.00 0.88 H new ATOM 772 N GLN A 50 -8.810 -13.523 10.316 1.00 0.30 N ATOM 773 CA GLN A 50 -9.130 -14.786 9.650 1.00 0.41 C ATOM 774 C GLN A 50 -10.079 -14.564 8.472 1.00 0.29 C ATOM 775 O GLN A 50 -11.260 -14.910 8.540 1.00 0.47 O ATOM 776 CB GLN A 50 -9.752 -15.783 10.631 1.00 0.63 C ATOM 777 CG GLN A 50 -8.796 -16.302 11.691 1.00 0.78 C ATOM 778 CD GLN A 50 -9.447 -17.337 12.589 1.00 0.93 C ATOM 779 OE1 GLN A 50 -10.657 -17.304 12.814 1.00 0.94 O ATOM 780 NE2 GLN A 50 -8.653 -18.263 13.104 1.00 1.07 N ATOM 0 H GLN A 50 -7.812 -13.318 10.356 1.00 0.30 H new ATOM 0 HA GLN A 50 -8.194 -15.199 9.273 1.00 0.41 H new ATOM 0 HB2 GLN A 50 -10.599 -15.307 11.125 1.00 0.63 H new ATOM 0 HB3 GLN A 50 -10.146 -16.630 10.069 1.00 0.63 H new ATOM 0 HG2 GLN A 50 -7.923 -16.740 11.208 1.00 0.78 H new ATOM 0 HG3 GLN A 50 -8.441 -15.469 12.297 1.00 0.78 H new ATOM 0 HE21 GLN A 50 -7.655 -18.254 12.892 1.00 1.07 H new ATOM 0 HE22 GLN A 50 -9.039 -18.985 13.712 1.00 1.07 H new ATOM 789 N PRO A 51 -9.578 -13.990 7.370 1.00 0.11 N ATOM 790 CA PRO A 51 -10.393 -13.730 6.194 1.00 0.09 C ATOM 791 C PRO A 51 -10.597 -14.988 5.362 1.00 0.05 C ATOM 792 O PRO A 51 -11.695 -15.532 5.303 1.00 0.20 O ATOM 793 CB PRO A 51 -9.595 -12.686 5.403 1.00 0.32 C ATOM 794 CG PRO A 51 -8.313 -12.466 6.150 1.00 0.44 C ATOM 795 CD PRO A 51 -8.193 -13.557 7.180 1.00 0.34 C ATOM 0 HA PRO A 51 -11.392 -13.387 6.462 1.00 0.09 H new ATOM 0 HB2 PRO A 51 -9.397 -13.036 4.390 1.00 0.32 H new ATOM 0 HB3 PRO A 51 -10.156 -11.756 5.315 1.00 0.32 H new ATOM 0 HG2 PRO A 51 -7.463 -12.489 5.467 1.00 0.44 H new ATOM 0 HG3 PRO A 51 -8.312 -11.486 6.628 1.00 0.44 H new ATOM 0 HD2 PRO A 51 -7.560 -14.373 6.831 1.00 0.34 H new ATOM 0 HD3 PRO A 51 -7.755 -13.189 8.108 1.00 0.34 H new ATOM 803 N MET A 52 -9.525 -15.457 4.737 1.00 0.10 N ATOM 804 CA MET A 52 -9.588 -16.649 3.903 1.00 0.14 C ATOM 805 C MET A 52 -8.941 -17.837 4.606 1.00 0.14 C ATOM 806 O MET A 52 -8.886 -18.938 4.062 1.00 0.16 O ATOM 807 CB MET A 52 -8.897 -16.384 2.567 1.00 0.25 C ATOM 808 CG MET A 52 -9.495 -15.215 1.802 1.00 0.17 C ATOM 809 SD MET A 52 -11.183 -15.537 1.259 1.00 0.22 S ATOM 810 CE MET A 52 -11.808 -13.871 1.059 1.00 1.11 C ATOM 0 H MET A 52 -8.601 -15.029 4.792 1.00 0.10 H new ATOM 0 HA MET A 52 -10.635 -16.891 3.722 1.00 0.14 H new ATOM 0 HB2 MET A 52 -7.839 -16.190 2.745 1.00 0.25 H new ATOM 0 HB3 MET A 52 -8.957 -17.281 1.951 1.00 0.25 H new ATOM 0 HG2 MET A 52 -9.483 -14.327 2.434 1.00 0.17 H new ATOM 0 HG3 MET A 52 -8.873 -14.997 0.934 1.00 0.17 H new ATOM 0 HE1 MET A 52 -12.555 -13.668 1.827 1.00 1.11 H new ATOM 0 HE2 MET A 52 -10.987 -13.160 1.154 1.00 1.11 H new ATOM 0 HE3 MET A 52 -12.263 -13.769 0.074 1.00 1.11 H new ATOM 820 N LEU A 53 -8.450 -17.589 5.820 1.00 0.15 N ATOM 821 CA LEU A 53 -7.803 -18.614 6.640 1.00 0.17 C ATOM 822 C LEU A 53 -6.624 -19.260 5.917 1.00 0.20 C ATOM 823 O LEU A 53 -6.401 -20.467 6.032 1.00 0.41 O ATOM 824 CB LEU A 53 -8.816 -19.687 7.053 1.00 0.19 C ATOM 825 CG LEU A 53 -9.793 -19.271 8.155 1.00 0.36 C ATOM 826 CD1 LEU A 53 -11.011 -20.184 8.170 1.00 0.31 C ATOM 827 CD2 LEU A 53 -9.103 -19.288 9.511 1.00 0.51 C ATOM 0 H LEU A 53 -8.489 -16.671 6.263 1.00 0.15 H new ATOM 0 HA LEU A 53 -7.417 -18.120 7.532 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -9.389 -19.981 6.173 1.00 0.19 H new ATOM 0 HB3 LEU A 53 -8.270 -20.569 7.387 1.00 0.19 H new ATOM 0 HG LEU A 53 -10.129 -18.255 7.947 1.00 0.36 H new ATOM 0 HD11 LEU A 53 -11.692 -19.870 8.961 1.00 0.31 H new ATOM 0 HD12 LEU A 53 -11.521 -20.126 7.208 1.00 0.31 H new ATOM 0 HD13 LEU A 53 -10.694 -21.211 8.351 1.00 0.31 H new ATOM 0 HD21 LEU A 53 -9.812 -18.990 10.284 1.00 0.51 H new ATOM 0 HD22 LEU A 53 -8.739 -20.294 9.721 1.00 0.51 H new ATOM 0 HD23 LEU A 53 -8.263 -18.593 9.501 1.00 0.51 H new ATOM 839 N ASP A 54 -5.861 -18.456 5.189 1.00 0.04 N ATOM 840 CA ASP A 54 -4.708 -18.960 4.457 1.00 0.08 C ATOM 841 C ASP A 54 -3.617 -17.897 4.420 1.00 0.06 C ATOM 842 O ASP A 54 -3.914 -16.704 4.394 1.00 0.07 O ATOM 843 CB ASP A 54 -5.106 -19.373 3.037 1.00 0.12 C ATOM 844 CG ASP A 54 -4.101 -20.314 2.409 1.00 0.14 C ATOM 845 OD1 ASP A 54 -3.516 -21.141 3.144 1.00 0.21 O ATOM 846 OD2 ASP A 54 -3.894 -20.237 1.181 1.00 0.47 O1- ATOM 0 H ASP A 54 -6.020 -17.453 5.090 1.00 0.04 H new ATOM 0 HA ASP A 54 -4.325 -19.843 4.969 1.00 0.08 H new ATOM 0 HB2 ASP A 54 -6.084 -19.853 3.062 1.00 0.12 H new ATOM 0 HB3 ASP A 54 -5.204 -18.483 2.416 1.00 0.12 H new ATOM 851 N VAL A 55 -2.363 -18.337 4.413 1.00 0.06 N ATOM 852 CA VAL A 55 -1.217 -17.424 4.412 1.00 0.07 C ATOM 853 C VAL A 55 -1.133 -16.562 3.140 1.00 0.06 C ATOM 854 O VAL A 55 -1.167 -15.335 3.236 1.00 0.06 O ATOM 855 CB VAL A 55 0.110 -18.188 4.623 1.00 0.09 C ATOM 856 CG1 VAL A 55 1.296 -17.235 4.656 1.00 0.08 C ATOM 857 CG2 VAL A 55 0.051 -19.004 5.906 1.00 0.13 C ATOM 0 H VAL A 55 -2.110 -19.325 4.408 1.00 0.06 H new ATOM 0 HA VAL A 55 -1.376 -16.746 5.251 1.00 0.07 H new ATOM 0 HB VAL A 55 0.247 -18.865 3.779 1.00 0.09 H new ATOM 0 HG11 VAL A 55 2.215 -17.802 4.806 1.00 0.08 H new ATOM 0 HG12 VAL A 55 1.354 -16.693 3.712 1.00 0.08 H new ATOM 0 HG13 VAL A 55 1.170 -16.526 5.474 1.00 0.08 H new ATOM 0 HG21 VAL A 55 0.992 -19.537 6.042 1.00 0.13 H new ATOM 0 HG22 VAL A 55 -0.115 -18.338 6.753 1.00 0.13 H new ATOM 0 HG23 VAL A 55 -0.767 -19.722 5.843 1.00 0.13 H new ATOM 867 N PRO A 56 -1.032 -17.162 1.931 1.00 0.05 N ATOM 868 CA PRO A 56 -0.941 -16.386 0.683 1.00 0.04 C ATOM 869 C PRO A 56 -2.160 -15.496 0.456 1.00 0.04 C ATOM 870 O PRO A 56 -2.073 -14.458 -0.198 1.00 0.04 O ATOM 871 CB PRO A 56 -0.850 -17.453 -0.416 1.00 0.05 C ATOM 872 CG PRO A 56 -1.342 -18.709 0.213 1.00 0.06 C ATOM 873 CD PRO A 56 -0.986 -18.612 1.669 1.00 0.06 C ATOM 0 HA PRO A 56 -0.089 -15.706 0.701 1.00 0.04 H new ATOM 0 HB2 PRO A 56 -1.458 -17.181 -1.279 1.00 0.05 H new ATOM 0 HB3 PRO A 56 0.175 -17.566 -0.770 1.00 0.05 H new ATOM 0 HG2 PRO A 56 -2.419 -18.815 0.081 1.00 0.06 H new ATOM 0 HG3 PRO A 56 -0.877 -19.582 -0.245 1.00 0.06 H new ATOM 0 HD2 PRO A 56 -1.694 -19.157 2.294 1.00 0.06 H new ATOM 0 HD3 PRO A 56 0.002 -19.027 1.871 1.00 0.06 H new ATOM 881 N LYS A 57 -3.288 -15.895 1.029 1.00 0.05 N ATOM 882 CA LYS A 57 -4.527 -15.148 0.880 1.00 0.05 C ATOM 883 C LYS A 57 -4.627 -14.029 1.917 1.00 0.06 C ATOM 884 O LYS A 57 -5.552 -13.217 1.881 1.00 0.08 O ATOM 885 CB LYS A 57 -5.723 -16.088 1.003 1.00 0.06 C ATOM 886 CG LYS A 57 -5.594 -17.349 0.165 1.00 0.09 C ATOM 887 CD LYS A 57 -5.785 -17.074 -1.318 1.00 0.11 C ATOM 888 CE LYS A 57 -7.204 -17.388 -1.762 1.00 0.12 C ATOM 889 NZ LYS A 57 -7.558 -18.817 -1.535 1.00 0.10 N1+ ATOM 0 H LYS A 57 -3.369 -16.735 1.603 1.00 0.05 H new ATOM 0 HA LYS A 57 -4.530 -14.691 -0.110 1.00 0.05 H new ATOM 0 HB2 LYS A 57 -5.848 -16.368 2.049 1.00 0.06 H new ATOM 0 HB3 LYS A 57 -6.626 -15.555 0.705 1.00 0.06 H new ATOM 0 HG2 LYS A 57 -4.611 -17.792 0.327 1.00 0.09 H new ATOM 0 HG3 LYS A 57 -6.332 -18.080 0.495 1.00 0.09 H new ATOM 0 HD2 LYS A 57 -5.560 -16.028 -1.528 1.00 0.11 H new ATOM 0 HD3 LYS A 57 -5.081 -17.674 -1.894 1.00 0.11 H new ATOM 0 HE2 LYS A 57 -7.903 -16.751 -1.219 1.00 0.12 H new ATOM 0 HE3 LYS A 57 -7.313 -17.151 -2.820 1.00 0.12 H new ATOM 0 HZ1 LYS A 57 -8.249 -19.121 -2.250 1.00 0.10 H new ATOM 0 HZ2 LYS A 57 -6.702 -19.403 -1.610 1.00 0.10 H new ATOM 0 HZ3 LYS A 57 -7.970 -18.926 -0.587 1.00 0.10 H new ATOM 903 N LEU A 58 -3.676 -13.997 2.841 1.00 0.05 N ATOM 904 CA LEU A 58 -3.653 -12.975 3.879 1.00 0.06 C ATOM 905 C LEU A 58 -2.840 -11.773 3.408 1.00 0.06 C ATOM 906 O LEU A 58 -3.214 -10.618 3.639 1.00 0.08 O ATOM 907 CB LEU A 58 -3.050 -13.533 5.170 1.00 0.06 C ATOM 908 CG LEU A 58 -3.011 -12.559 6.351 1.00 0.11 C ATOM 909 CD1 LEU A 58 -4.408 -12.338 6.903 1.00 0.07 C ATOM 910 CD2 LEU A 58 -2.075 -13.076 7.435 1.00 0.17 C ATOM 0 H LEU A 58 -2.909 -14.668 2.893 1.00 0.05 H new ATOM 0 HA LEU A 58 -4.678 -12.662 4.079 1.00 0.06 H new ATOM 0 HB2 LEU A 58 -3.620 -14.414 5.466 1.00 0.06 H new ATOM 0 HB3 LEU A 58 -2.033 -13.866 4.962 1.00 0.06 H new ATOM 0 HG LEU A 58 -2.629 -11.601 6.000 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -4.362 -11.643 7.742 1.00 0.07 H new ATOM 0 HD12 LEU A 58 -5.046 -11.923 6.123 1.00 0.07 H new ATOM 0 HD13 LEU A 58 -4.820 -13.289 7.241 1.00 0.07 H new ATOM 0 HD21 LEU A 58 -2.058 -12.372 8.267 1.00 0.17 H new ATOM 0 HD22 LEU A 58 -2.426 -14.046 7.787 1.00 0.17 H new ATOM 0 HD23 LEU A 58 -1.069 -13.180 7.028 1.00 0.17 H new ATOM 922 N ALA A 59 -1.736 -12.058 2.734 1.00 0.05 N ATOM 923 CA ALA A 59 -0.856 -11.017 2.219 1.00 0.06 C ATOM 924 C ALA A 59 -1.577 -10.148 1.194 1.00 0.08 C ATOM 925 O ALA A 59 -1.433 -8.924 1.198 1.00 0.11 O ATOM 926 CB ALA A 59 0.392 -11.639 1.615 1.00 0.06 C ATOM 0 H ALA A 59 -1.426 -13.008 2.529 1.00 0.05 H new ATOM 0 HA ALA A 59 -0.560 -10.375 3.049 1.00 0.06 H new ATOM 0 HB1 ALA A 59 1.042 -10.852 1.233 1.00 0.06 H new ATOM 0 HB2 ALA A 59 0.921 -12.208 2.379 1.00 0.06 H new ATOM 0 HB3 ALA A 59 0.109 -12.303 0.799 1.00 0.06 H new ATOM 932 N VAL A 60 -2.368 -10.781 0.332 1.00 0.05 N ATOM 933 CA VAL A 60 -3.118 -10.055 -0.695 1.00 0.07 C ATOM 934 C VAL A 60 -4.142 -9.117 -0.054 1.00 0.07 C ATOM 935 O VAL A 60 -4.387 -8.017 -0.552 1.00 0.08 O ATOM 936 CB VAL A 60 -3.846 -10.987 -1.700 1.00 0.07 C ATOM 937 CG1 VAL A 60 -2.863 -11.871 -2.458 1.00 0.07 C ATOM 938 CG2 VAL A 60 -4.910 -11.834 -1.014 1.00 0.08 C ATOM 0 H VAL A 60 -2.508 -11.791 0.322 1.00 0.05 H new ATOM 0 HA VAL A 60 -2.377 -9.484 -1.254 1.00 0.07 H new ATOM 0 HB VAL A 60 -4.346 -10.342 -2.423 1.00 0.07 H new ATOM 0 HG11 VAL A 60 -3.409 -12.510 -3.152 1.00 0.07 H new ATOM 0 HG12 VAL A 60 -2.164 -11.245 -3.013 1.00 0.07 H new ATOM 0 HG13 VAL A 60 -2.312 -12.491 -1.751 1.00 0.07 H new ATOM 0 HG21 VAL A 60 -5.397 -12.473 -1.751 1.00 0.08 H new ATOM 0 HG22 VAL A 60 -4.444 -12.454 -0.248 1.00 0.08 H new ATOM 0 HG23 VAL A 60 -5.652 -11.182 -0.552 1.00 0.08 H new ATOM 948 N LEU A 61 -4.722 -9.551 1.064 1.00 0.07 N ATOM 949 CA LEU A 61 -5.707 -8.750 1.776 1.00 0.08 C ATOM 950 C LEU A 61 -5.034 -7.530 2.388 1.00 0.08 C ATOM 951 O LEU A 61 -5.570 -6.422 2.365 1.00 0.08 O ATOM 952 CB LEU A 61 -6.378 -9.577 2.876 1.00 0.10 C ATOM 953 CG LEU A 61 -7.553 -8.891 3.576 1.00 0.10 C ATOM 954 CD1 LEU A 61 -8.878 -9.421 3.046 1.00 0.11 C ATOM 955 CD2 LEU A 61 -7.465 -9.079 5.083 1.00 0.07 C ATOM 0 H LEU A 61 -4.524 -10.455 1.494 1.00 0.07 H new ATOM 0 HA LEU A 61 -6.470 -8.426 1.068 1.00 0.08 H new ATOM 0 HB2 LEU A 61 -6.729 -10.513 2.442 1.00 0.10 H new ATOM 0 HB3 LEU A 61 -5.629 -9.834 3.625 1.00 0.10 H new ATOM 0 HG LEU A 61 -7.501 -7.824 3.361 1.00 0.10 H new ATOM 0 HD11 LEU A 61 -9.701 -8.920 3.557 1.00 0.11 H new ATOM 0 HD12 LEU A 61 -8.945 -9.228 1.975 1.00 0.11 H new ATOM 0 HD13 LEU A 61 -8.939 -10.494 3.226 1.00 0.11 H new ATOM 0 HD21 LEU A 61 -8.310 -8.584 5.561 1.00 0.07 H new ATOM 0 HD22 LEU A 61 -7.487 -10.143 5.319 1.00 0.07 H new ATOM 0 HD23 LEU A 61 -6.535 -8.645 5.450 1.00 0.07 H new ATOM 967 N THR A 62 -3.842 -7.749 2.917 1.00 0.10 N ATOM 968 CA THR A 62 -3.069 -6.686 3.526 1.00 0.11 C ATOM 969 C THR A 62 -2.638 -5.664 2.476 1.00 0.10 C ATOM 970 O THR A 62 -2.708 -4.454 2.704 1.00 0.13 O ATOM 971 CB THR A 62 -1.825 -7.260 4.232 1.00 0.13 C ATOM 972 OG1 THR A 62 -2.217 -8.302 5.139 1.00 0.12 O ATOM 973 CG2 THR A 62 -1.077 -6.177 4.991 1.00 0.15 C ATOM 0 H THR A 62 -3.388 -8.662 2.935 1.00 0.10 H new ATOM 0 HA THR A 62 -3.700 -6.190 4.264 1.00 0.11 H new ATOM 0 HB THR A 62 -1.160 -7.667 3.470 1.00 0.13 H new ATOM 0 HG1 THR A 62 -2.490 -9.094 4.630 1.00 0.12 H new ATOM 0 HG21 THR A 62 -0.204 -6.611 5.479 1.00 0.15 H new ATOM 0 HG22 THR A 62 -0.756 -5.401 4.296 1.00 0.15 H new ATOM 0 HG23 THR A 62 -1.734 -5.740 5.744 1.00 0.15 H new ATOM 981 N ALA A 63 -2.225 -6.166 1.318 1.00 0.08 N ATOM 982 CA ALA A 63 -1.769 -5.323 0.221 1.00 0.08 C ATOM 983 C ALA A 63 -2.864 -4.378 -0.271 1.00 0.07 C ATOM 984 O ALA A 63 -2.644 -3.171 -0.385 1.00 0.08 O ATOM 985 CB ALA A 63 -1.269 -6.188 -0.924 1.00 0.08 C ATOM 0 H ALA A 63 -2.197 -7.165 1.114 1.00 0.08 H new ATOM 0 HA ALA A 63 -0.953 -4.706 0.597 1.00 0.08 H new ATOM 0 HB1 ALA A 63 -0.930 -5.550 -1.740 1.00 0.08 H new ATOM 0 HB2 ALA A 63 -0.441 -6.806 -0.578 1.00 0.08 H new ATOM 0 HB3 ALA A 63 -2.078 -6.829 -1.276 1.00 0.08 H new ATOM 991 N VAL A 64 -4.043 -4.927 -0.553 1.00 0.07 N ATOM 992 CA VAL A 64 -5.152 -4.116 -1.046 1.00 0.08 C ATOM 993 C VAL A 64 -5.639 -3.124 0.009 1.00 0.09 C ATOM 994 O VAL A 64 -6.001 -1.996 -0.321 1.00 0.12 O ATOM 995 CB VAL A 64 -6.330 -4.981 -1.562 1.00 0.08 C ATOM 996 CG1 VAL A 64 -6.983 -5.766 -0.435 1.00 0.05 C ATOM 997 CG2 VAL A 64 -7.358 -4.118 -2.283 1.00 0.12 C ATOM 0 H VAL A 64 -4.254 -5.920 -0.450 1.00 0.07 H new ATOM 0 HA VAL A 64 -4.763 -3.550 -1.893 1.00 0.08 H new ATOM 0 HB VAL A 64 -5.923 -5.700 -2.273 1.00 0.08 H new ATOM 0 HG11 VAL A 64 -7.805 -6.361 -0.834 1.00 0.05 H new ATOM 0 HG12 VAL A 64 -6.246 -6.426 0.023 1.00 0.05 H new ATOM 0 HG13 VAL A 64 -7.367 -5.075 0.315 1.00 0.05 H new ATOM 0 HG21 VAL A 64 -8.176 -4.746 -2.637 1.00 0.12 H new ATOM 0 HG22 VAL A 64 -7.748 -3.367 -1.596 1.00 0.12 H new ATOM 0 HG23 VAL A 64 -6.887 -3.624 -3.132 1.00 0.12 H new ATOM 1007 N GLN A 65 -5.612 -3.529 1.277 1.00 0.08 N ATOM 1008 CA GLN A 65 -6.049 -2.654 2.361 1.00 0.09 C ATOM 1009 C GLN A 65 -5.179 -1.406 2.422 1.00 0.07 C ATOM 1010 O GLN A 65 -5.692 -0.286 2.462 1.00 0.12 O ATOM 1011 CB GLN A 65 -6.016 -3.383 3.706 1.00 0.10 C ATOM 1012 CG GLN A 65 -7.381 -3.909 4.149 1.00 0.10 C ATOM 1013 CD GLN A 65 -8.375 -2.801 4.454 1.00 0.24 C ATOM 1014 OE1 GLN A 65 -9.581 -2.975 4.281 1.00 0.81 O ATOM 1015 NE2 GLN A 65 -7.885 -1.661 4.924 1.00 0.31 N ATOM 0 H GLN A 65 -5.294 -4.451 1.577 1.00 0.08 H new ATOM 0 HA GLN A 65 -7.078 -2.359 2.157 1.00 0.09 H new ATOM 0 HB2 GLN A 65 -5.318 -4.217 3.641 1.00 0.10 H new ATOM 0 HB3 GLN A 65 -5.632 -2.705 4.468 1.00 0.10 H new ATOM 0 HG2 GLN A 65 -7.788 -4.550 3.367 1.00 0.10 H new ATOM 0 HG3 GLN A 65 -7.254 -4.530 5.036 1.00 0.10 H new ATOM 0 HE21 GLN A 65 -6.879 -1.553 5.054 1.00 0.31 H new ATOM 0 HE22 GLN A 65 -8.514 -0.892 5.155 1.00 0.31 H new ATOM 1024 N ILE A 66 -3.863 -1.612 2.400 1.00 0.02 N ATOM 1025 CA ILE A 66 -2.907 -0.511 2.447 1.00 0.03 C ATOM 1026 C ILE A 66 -3.155 0.466 1.298 1.00 0.05 C ATOM 1027 O ILE A 66 -3.067 1.684 1.471 1.00 0.18 O ATOM 1028 CB ILE A 66 -1.450 -1.032 2.388 1.00 0.10 C ATOM 1029 CG1 ILE A 66 -1.126 -1.821 3.661 1.00 0.74 C ATOM 1030 CG2 ILE A 66 -0.468 0.120 2.206 1.00 0.71 C ATOM 1031 CD1 ILE A 66 0.128 -2.665 3.557 1.00 1.29 C ATOM 0 H ILE A 66 -3.435 -2.536 2.350 1.00 0.02 H new ATOM 0 HA ILE A 66 -3.049 0.010 3.394 1.00 0.03 H new ATOM 0 HB ILE A 66 -1.352 -1.694 1.528 1.00 0.10 H new ATOM 0 HG12 ILE A 66 -1.015 -1.123 4.491 1.00 0.74 H new ATOM 0 HG13 ILE A 66 -1.969 -2.469 3.900 1.00 0.74 H new ATOM 0 HG21 ILE A 66 0.549 -0.271 2.167 1.00 0.71 H new ATOM 0 HG22 ILE A 66 -0.691 0.644 1.277 1.00 0.71 H new ATOM 0 HG23 ILE A 66 -0.559 0.812 3.044 1.00 0.71 H new ATOM 0 HD11 ILE A 66 0.290 -3.193 4.497 1.00 1.29 H new ATOM 0 HD12 ILE A 66 0.014 -3.388 2.750 1.00 1.29 H new ATOM 0 HD13 ILE A 66 0.983 -2.022 3.350 1.00 1.29 H new ATOM 1043 N ALA A 67 -3.493 -0.078 0.135 1.00 0.07 N ATOM 1044 CA ALA A 67 -3.767 0.736 -1.040 1.00 0.05 C ATOM 1045 C ALA A 67 -4.914 1.706 -0.772 1.00 0.04 C ATOM 1046 O ALA A 67 -4.764 2.911 -0.953 1.00 0.03 O ATOM 1047 CB ALA A 67 -4.080 -0.146 -2.238 1.00 0.06 C ATOM 0 H ALA A 67 -3.584 -1.082 -0.018 1.00 0.07 H new ATOM 0 HA ALA A 67 -2.875 1.320 -1.266 1.00 0.05 H new ATOM 0 HB1 ALA A 67 -4.282 0.480 -3.107 1.00 0.06 H new ATOM 0 HB2 ALA A 67 -3.227 -0.792 -2.447 1.00 0.06 H new ATOM 0 HB3 ALA A 67 -4.955 -0.758 -2.020 1.00 0.06 H new ATOM 1053 N SER A 68 -6.046 1.180 -0.318 1.00 0.05 N ATOM 1054 CA SER A 68 -7.212 2.008 -0.025 1.00 0.07 C ATOM 1055 C SER A 68 -6.920 2.998 1.105 1.00 0.08 C ATOM 1056 O SER A 68 -7.363 4.150 1.070 1.00 0.12 O ATOM 1057 CB SER A 68 -8.396 1.117 0.349 1.00 0.07 C ATOM 1058 OG SER A 68 -7.962 -0.199 0.645 1.00 0.04 O ATOM 0 H SER A 68 -6.182 0.184 -0.145 1.00 0.05 H new ATOM 0 HA SER A 68 -7.457 2.583 -0.918 1.00 0.07 H new ATOM 0 HB2 SER A 68 -8.914 1.536 1.211 1.00 0.07 H new ATOM 0 HB3 SER A 68 -9.112 1.092 -0.472 1.00 0.07 H new ATOM 0 HG SER A 68 -7.285 -0.169 1.352 1.00 0.04 H new ATOM 1064 N GLU A 69 -6.149 2.548 2.092 1.00 0.08 N ATOM 1065 CA GLU A 69 -5.794 3.377 3.239 1.00 0.14 C ATOM 1066 C GLU A 69 -4.947 4.581 2.823 1.00 0.10 C ATOM 1067 O GLU A 69 -4.979 5.626 3.475 1.00 0.10 O ATOM 1068 CB GLU A 69 -5.048 2.541 4.285 1.00 0.19 C ATOM 1069 CG GLU A 69 -5.948 1.581 5.049 1.00 0.29 C ATOM 1070 CD GLU A 69 -5.172 0.570 5.872 1.00 0.63 C ATOM 1071 OE1 GLU A 69 -4.419 0.987 6.778 1.00 0.82 O ATOM 1072 OE2 GLU A 69 -5.325 -0.650 5.635 1.00 0.79 O1- ATOM 0 H GLU A 69 -5.756 1.607 2.119 1.00 0.08 H new ATOM 0 HA GLU A 69 -6.719 3.756 3.675 1.00 0.14 H new ATOM 0 HB2 GLU A 69 -4.261 1.972 3.790 1.00 0.19 H new ATOM 0 HB3 GLU A 69 -4.560 3.211 4.993 1.00 0.19 H new ATOM 0 HG2 GLU A 69 -6.603 2.152 5.708 1.00 0.29 H new ATOM 0 HG3 GLU A 69 -6.588 1.052 4.343 1.00 0.29 H new ATOM 1079 N TYR A 70 -4.201 4.438 1.734 1.00 0.07 N ATOM 1080 CA TYR A 70 -3.348 5.520 1.249 1.00 0.04 C ATOM 1081 C TYR A 70 -3.970 6.262 0.066 1.00 0.03 C ATOM 1082 O TYR A 70 -3.584 7.392 -0.232 1.00 0.04 O ATOM 1083 CB TYR A 70 -1.971 4.981 0.875 1.00 0.05 C ATOM 1084 CG TYR A 70 -1.046 4.868 2.063 1.00 0.18 C ATOM 1085 CD1 TYR A 70 -1.044 3.735 2.867 1.00 0.37 C ATOM 1086 CD2 TYR A 70 -0.185 5.908 2.394 1.00 0.36 C ATOM 1087 CE1 TYR A 70 -0.208 3.640 3.963 1.00 0.46 C ATOM 1088 CE2 TYR A 70 0.650 5.821 3.488 1.00 0.47 C ATOM 1089 CZ TYR A 70 0.635 4.686 4.269 1.00 0.44 C ATOM 1090 OH TYR A 70 1.463 4.602 5.366 1.00 0.58 O ATOM 0 H TYR A 70 -4.168 3.588 1.171 1.00 0.07 H new ATOM 0 HA TYR A 70 -3.244 6.240 2.061 1.00 0.04 H new ATOM 0 HB2 TYR A 70 -2.083 4.000 0.412 1.00 0.05 H new ATOM 0 HB3 TYR A 70 -1.520 5.636 0.129 1.00 0.05 H new ATOM 0 HD1 TYR A 70 -1.707 2.915 2.632 1.00 0.37 H new ATOM 0 HD2 TYR A 70 -0.170 6.799 1.784 1.00 0.36 H new ATOM 0 HE1 TYR A 70 -0.215 2.751 4.576 1.00 0.46 H new ATOM 0 HE2 TYR A 70 1.312 6.639 3.731 1.00 0.47 H new ATOM 0 HH TYR A 70 1.139 3.899 5.967 1.00 0.58 H new ATOM 1100 N LEU A 71 -4.930 5.635 -0.602 1.00 0.07 N ATOM 1101 CA LEU A 71 -5.601 6.262 -1.745 1.00 0.11 C ATOM 1102 C LEU A 71 -6.375 7.494 -1.289 1.00 0.12 C ATOM 1103 O LEU A 71 -6.397 8.515 -1.974 1.00 0.16 O ATOM 1104 CB LEU A 71 -6.561 5.280 -2.444 1.00 0.13 C ATOM 1105 CG LEU A 71 -6.185 4.845 -3.879 1.00 0.14 C ATOM 1106 CD1 LEU A 71 -6.066 6.040 -4.820 1.00 0.12 C ATOM 1107 CD2 LEU A 71 -4.893 4.033 -3.894 1.00 0.23 C ATOM 0 H LEU A 71 -5.264 4.698 -0.377 1.00 0.07 H new ATOM 0 HA LEU A 71 -4.832 6.556 -2.459 1.00 0.11 H new ATOM 0 HB2 LEU A 71 -6.641 4.385 -1.827 1.00 0.13 H new ATOM 0 HB3 LEU A 71 -7.551 5.735 -2.475 1.00 0.13 H new ATOM 0 HG LEU A 71 -6.996 4.211 -4.238 1.00 0.14 H new ATOM 0 HD11 LEU A 71 -5.800 5.692 -5.818 1.00 0.12 H new ATOM 0 HD12 LEU A 71 -7.019 6.567 -4.861 1.00 0.12 H new ATOM 0 HD13 LEU A 71 -5.293 6.716 -4.454 1.00 0.12 H new ATOM 0 HD21 LEU A 71 -4.657 3.743 -4.918 1.00 0.23 H new ATOM 0 HD22 LEU A 71 -4.079 4.636 -3.491 1.00 0.23 H new ATOM 0 HD23 LEU A 71 -5.018 3.139 -3.283 1.00 0.23 H new ATOM 1119 N LYS A 72 -6.990 7.399 -0.116 1.00 0.13 N ATOM 1120 CA LYS A 72 -7.762 8.507 0.430 1.00 0.16 C ATOM 1121 C LYS A 72 -6.837 9.627 0.902 1.00 0.16 C ATOM 1122 O LYS A 72 -7.257 10.778 1.030 1.00 0.30 O ATOM 1123 CB LYS A 72 -8.654 8.029 1.586 1.00 0.18 C ATOM 1124 CG LYS A 72 -7.895 7.731 2.872 1.00 0.18 C ATOM 1125 CD LYS A 72 -8.830 7.280 3.988 1.00 0.22 C ATOM 1126 CE LYS A 72 -9.783 8.391 4.423 1.00 0.25 C ATOM 1127 NZ LYS A 72 -9.072 9.523 5.081 1.00 0.24 N1+ ATOM 0 H LYS A 72 -6.969 6.567 0.474 1.00 0.13 H new ATOM 0 HA LYS A 72 -8.402 8.897 -0.362 1.00 0.16 H new ATOM 0 HB2 LYS A 72 -9.407 8.790 1.789 1.00 0.18 H new ATOM 0 HB3 LYS A 72 -9.186 7.130 1.273 1.00 0.18 H new ATOM 0 HG2 LYS A 72 -7.152 6.956 2.685 1.00 0.18 H new ATOM 0 HG3 LYS A 72 -7.353 8.622 3.189 1.00 0.18 H new ATOM 0 HD2 LYS A 72 -9.407 6.419 3.651 1.00 0.22 H new ATOM 0 HD3 LYS A 72 -8.240 6.953 4.844 1.00 0.22 H new ATOM 0 HE2 LYS A 72 -10.325 8.762 3.553 1.00 0.25 H new ATOM 0 HE3 LYS A 72 -10.524 7.982 5.110 1.00 0.25 H new ATOM 0 HZ1 LYS A 72 -9.767 10.169 5.507 1.00 0.24 H new ATOM 0 HZ2 LYS A 72 -8.442 9.154 5.822 1.00 0.24 H new ATOM 0 HZ3 LYS A 72 -8.510 10.038 4.374 1.00 0.24 H new ATOM 1141 N LEU A 73 -5.574 9.289 1.125 1.00 0.03 N ATOM 1142 CA LEU A 73 -4.593 10.260 1.586 1.00 0.05 C ATOM 1143 C LEU A 73 -4.177 11.183 0.447 1.00 0.05 C ATOM 1144 O LEU A 73 -3.988 12.380 0.643 1.00 0.10 O ATOM 1145 CB LEU A 73 -3.376 9.540 2.174 1.00 0.14 C ATOM 1146 CG LEU A 73 -2.318 10.440 2.818 1.00 0.17 C ATOM 1147 CD1 LEU A 73 -2.900 11.196 4.005 1.00 0.18 C ATOM 1148 CD2 LEU A 73 -1.118 9.613 3.251 1.00 0.24 C ATOM 0 H LEU A 73 -5.205 8.347 0.993 1.00 0.03 H new ATOM 0 HA LEU A 73 -5.045 10.871 2.367 1.00 0.05 H new ATOM 0 HB2 LEU A 73 -3.725 8.828 2.922 1.00 0.14 H new ATOM 0 HB3 LEU A 73 -2.901 8.962 1.381 1.00 0.14 H new ATOM 0 HG LEU A 73 -1.992 11.171 2.078 1.00 0.17 H new ATOM 0 HD11 LEU A 73 -2.130 11.829 4.446 1.00 0.18 H new ATOM 0 HD12 LEU A 73 -3.731 11.816 3.669 1.00 0.18 H new ATOM 0 HD13 LEU A 73 -3.256 10.485 4.750 1.00 0.18 H new ATOM 0 HD21 LEU A 73 -0.373 10.264 3.707 1.00 0.24 H new ATOM 0 HD22 LEU A 73 -1.436 8.862 3.975 1.00 0.24 H new ATOM 0 HD23 LEU A 73 -0.684 9.119 2.382 1.00 0.24 H new ATOM 1160 N LYS A 74 -4.045 10.630 -0.751 1.00 0.10 N ATOM 1161 CA LYS A 74 -3.670 11.440 -1.901 1.00 0.18 C ATOM 1162 C LYS A 74 -4.893 12.183 -2.431 1.00 0.21 C ATOM 1163 O LYS A 74 -4.772 13.214 -3.098 1.00 0.29 O ATOM 1164 CB LYS A 74 -3.027 10.581 -3.001 1.00 0.23 C ATOM 1165 CG LYS A 74 -3.977 9.601 -3.678 1.00 0.11 C ATOM 1166 CD LYS A 74 -4.199 9.954 -5.143 1.00 0.18 C ATOM 1167 CE LYS A 74 -2.979 9.625 -5.994 1.00 0.26 C ATOM 1168 NZ LYS A 74 -3.077 8.275 -6.615 1.00 0.15 N1+ ATOM 0 H LYS A 74 -4.189 9.640 -0.950 1.00 0.10 H new ATOM 0 HA LYS A 74 -2.926 12.170 -1.584 1.00 0.18 H new ATOM 0 HB2 LYS A 74 -2.606 11.241 -3.759 1.00 0.23 H new ATOM 0 HB3 LYS A 74 -2.197 10.022 -2.569 1.00 0.23 H new ATOM 0 HG2 LYS A 74 -3.572 8.592 -3.604 1.00 0.11 H new ATOM 0 HG3 LYS A 74 -4.933 9.600 -3.155 1.00 0.11 H new ATOM 0 HD2 LYS A 74 -5.064 9.409 -5.521 1.00 0.18 H new ATOM 0 HD3 LYS A 74 -4.428 11.016 -5.231 1.00 0.18 H new ATOM 0 HE2 LYS A 74 -2.870 10.376 -6.776 1.00 0.26 H new ATOM 0 HE3 LYS A 74 -2.082 9.675 -5.376 1.00 0.26 H new ATOM 0 HZ1 LYS A 74 -2.508 8.251 -7.485 1.00 0.15 H new ATOM 0 HZ2 LYS A 74 -2.721 7.560 -5.949 1.00 0.15 H new ATOM 0 HZ3 LYS A 74 -4.070 8.070 -6.845 1.00 0.15 H new ATOM 1182 N GLU A 75 -6.073 11.654 -2.114 1.00 0.18 N ATOM 1183 CA GLU A 75 -7.327 12.258 -2.537 1.00 0.27 C ATOM 1184 C GLU A 75 -7.529 13.595 -1.830 1.00 0.23 C ATOM 1185 O GLU A 75 -7.829 14.609 -2.465 1.00 0.32 O ATOM 1186 CB GLU A 75 -8.497 11.314 -2.242 1.00 0.36 C ATOM 1187 CG GLU A 75 -9.866 11.889 -2.576 1.00 0.51 C ATOM 1188 CD GLU A 75 -10.077 12.093 -4.065 1.00 0.97 C ATOM 1189 OE1 GLU A 75 -9.414 11.405 -4.867 1.00 1.47 O ATOM 1190 OE2 GLU A 75 -10.919 12.936 -4.440 1.00 1.57 O1- ATOM 0 H GLU A 75 -6.183 10.803 -1.562 1.00 0.18 H new ATOM 0 HA GLU A 75 -7.288 12.434 -3.612 1.00 0.27 H new ATOM 0 HB2 GLU A 75 -8.356 10.392 -2.806 1.00 0.36 H new ATOM 0 HB3 GLU A 75 -8.476 11.047 -1.185 1.00 0.36 H new ATOM 0 HG2 GLU A 75 -10.638 11.221 -2.194 1.00 0.51 H new ATOM 0 HG3 GLU A 75 -9.988 12.843 -2.063 1.00 0.51 H new ATOM 1197 N GLU A 76 -7.331 13.598 -0.514 1.00 0.13 N ATOM 1198 CA GLU A 76 -7.496 14.814 0.273 1.00 0.10 C ATOM 1199 C GLU A 76 -6.457 15.858 -0.122 1.00 0.05 C ATOM 1200 O GLU A 76 -6.703 17.058 -0.007 1.00 0.03 O ATOM 1201 CB GLU A 76 -7.401 14.522 1.773 1.00 0.10 C ATOM 1202 CG GLU A 76 -6.006 14.149 2.245 1.00 0.19 C ATOM 1203 CD GLU A 76 -5.868 14.204 3.749 1.00 0.51 C ATOM 1204 OE1 GLU A 76 -6.413 13.312 4.434 1.00 1.56 O ATOM 1205 OE2 GLU A 76 -5.216 15.144 4.258 1.00 0.59 O1- ATOM 0 H GLU A 76 -7.058 12.777 0.026 1.00 0.13 H new ATOM 0 HA GLU A 76 -8.490 15.209 0.063 1.00 0.10 H new ATOM 0 HB2 GLU A 76 -7.737 15.400 2.325 1.00 0.10 H new ATOM 0 HB3 GLU A 76 -8.085 13.710 2.018 1.00 0.10 H new ATOM 0 HG2 GLU A 76 -5.766 13.144 1.898 1.00 0.19 H new ATOM 0 HG3 GLU A 76 -5.280 14.825 1.792 1.00 0.19 H new ATOM 1212 N TYR A 77 -5.306 15.392 -0.599 1.00 0.06 N ATOM 1213 CA TYR A 77 -4.228 16.278 -1.014 1.00 0.05 C ATOM 1214 C TYR A 77 -4.678 17.193 -2.150 1.00 0.07 C ATOM 1215 O TYR A 77 -4.588 18.419 -2.047 1.00 0.11 O ATOM 1216 CB TYR A 77 -3.002 15.466 -1.454 1.00 0.09 C ATOM 1217 CG TYR A 77 -1.941 16.295 -2.153 1.00 0.12 C ATOM 1218 CD1 TYR A 77 -1.431 17.436 -1.554 1.00 0.12 C ATOM 1219 CD2 TYR A 77 -1.469 15.952 -3.413 1.00 0.14 C ATOM 1220 CE1 TYR A 77 -0.479 18.209 -2.178 1.00 0.16 C ATOM 1221 CE2 TYR A 77 -0.518 16.724 -4.052 1.00 0.17 C ATOM 1222 CZ TYR A 77 -0.025 17.853 -3.430 1.00 0.18 C ATOM 1223 OH TYR A 77 0.914 18.633 -4.066 1.00 0.21 O ATOM 0 H TYR A 77 -5.097 14.399 -0.707 1.00 0.06 H new ATOM 0 HA TYR A 77 -3.956 16.896 -0.158 1.00 0.05 H new ATOM 0 HB2 TYR A 77 -2.560 14.989 -0.579 1.00 0.09 H new ATOM 0 HB3 TYR A 77 -3.326 14.668 -2.122 1.00 0.09 H new ATOM 0 HD1 TYR A 77 -1.788 17.725 -0.577 1.00 0.12 H new ATOM 0 HD2 TYR A 77 -1.851 15.068 -3.901 1.00 0.14 H new ATOM 0 HE1 TYR A 77 -0.090 19.090 -1.690 1.00 0.16 H new ATOM 0 HE2 TYR A 77 -0.162 16.445 -5.033 1.00 0.17 H new ATOM 0 HH TYR A 77 1.127 18.242 -4.939 1.00 0.21 H new ATOM 1233 N GLN A 78 -5.179 16.594 -3.222 1.00 0.10 N ATOM 1234 CA GLN A 78 -5.621 17.360 -4.377 1.00 0.13 C ATOM 1235 C GLN A 78 -6.897 18.138 -4.060 1.00 0.06 C ATOM 1236 O GLN A 78 -7.138 19.204 -4.627 1.00 0.08 O ATOM 1237 CB GLN A 78 -5.824 16.438 -5.587 1.00 0.19 C ATOM 1238 CG GLN A 78 -7.044 15.535 -5.494 1.00 0.23 C ATOM 1239 CD GLN A 78 -7.108 14.530 -6.625 1.00 0.31 C ATOM 1240 OE1 GLN A 78 -6.512 14.726 -7.688 1.00 0.51 O ATOM 1241 NE2 GLN A 78 -7.836 13.448 -6.413 1.00 0.26 N ATOM 0 H GLN A 78 -5.289 15.584 -3.315 1.00 0.10 H new ATOM 0 HA GLN A 78 -4.844 18.083 -4.626 1.00 0.13 H new ATOM 0 HB2 GLN A 78 -5.909 17.051 -6.485 1.00 0.19 H new ATOM 0 HB3 GLN A 78 -4.936 15.817 -5.708 1.00 0.19 H new ATOM 0 HG2 GLN A 78 -7.028 15.005 -4.542 1.00 0.23 H new ATOM 0 HG3 GLN A 78 -7.946 16.146 -5.504 1.00 0.23 H new ATOM 0 HE21 GLN A 78 -8.314 13.322 -5.521 1.00 0.26 H new ATOM 0 HE22 GLN A 78 -7.920 12.739 -7.142 1.00 0.26 H new ATOM 1250 N ARG A 79 -7.685 17.621 -3.119 1.00 0.04 N ATOM 1251 CA ARG A 79 -8.941 18.263 -2.726 1.00 0.11 C ATOM 1252 C ARG A 79 -8.648 19.527 -1.934 1.00 0.17 C ATOM 1253 O ARG A 79 -9.355 20.529 -2.042 1.00 0.29 O ATOM 1254 CB ARG A 79 -9.814 17.317 -1.889 1.00 0.18 C ATOM 1255 CG ARG A 79 -10.950 16.669 -2.666 1.00 0.46 C ATOM 1256 CD ARG A 79 -10.452 15.953 -3.907 1.00 0.78 C ATOM 1257 NE ARG A 79 -10.865 16.643 -5.126 1.00 1.20 N ATOM 1258 CZ ARG A 79 -11.722 16.150 -6.019 1.00 0.98 C ATOM 1259 NH1 ARG A 79 -12.143 14.892 -5.933 1.00 0.63 N1+ ATOM 1260 NH2 ARG A 79 -12.128 16.913 -7.026 1.00 1.78 N ATOM 0 H ARG A 79 -7.477 16.760 -2.614 1.00 0.04 H new ATOM 0 HA ARG A 79 -9.489 18.517 -3.633 1.00 0.11 H new ATOM 0 HB2 ARG A 79 -9.183 16.534 -1.469 1.00 0.18 H new ATOM 0 HB3 ARG A 79 -10.233 17.873 -1.050 1.00 0.18 H new ATOM 0 HG2 ARG A 79 -11.471 15.960 -2.023 1.00 0.46 H new ATOM 0 HG3 ARG A 79 -11.674 17.431 -2.953 1.00 0.46 H new ATOM 0 HD2 ARG A 79 -9.365 15.885 -3.877 1.00 0.78 H new ATOM 0 HD3 ARG A 79 -10.835 14.933 -3.918 1.00 0.78 H new ATOM 0 HE ARG A 79 -10.470 17.566 -5.306 1.00 1.20 H new ATOM 0 HH11 ARG A 79 -11.810 14.293 -5.177 1.00 0.63 H new ATOM 0 HH12 ARG A 79 -12.799 14.526 -6.623 1.00 0.63 H new ATOM 0 HH21 ARG A 79 -11.784 17.869 -7.112 1.00 1.78 H new ATOM 0 HH22 ARG A 79 -12.784 16.543 -7.714 1.00 1.78 H new ATOM 1274 N LEU A 80 -7.603 19.463 -1.130 1.00 0.11 N ATOM 1275 CA LEU A 80 -7.188 20.592 -0.314 1.00 0.17 C ATOM 1276 C LEU A 80 -6.633 21.711 -1.187 1.00 0.18 C ATOM 1277 O LEU A 80 -6.976 22.881 -1.018 1.00 0.22 O ATOM 1278 CB LEU A 80 -6.123 20.134 0.683 1.00 0.19 C ATOM 1279 CG LEU A 80 -5.489 21.245 1.522 1.00 0.22 C ATOM 1280 CD1 LEU A 80 -6.398 21.617 2.683 1.00 0.25 C ATOM 1281 CD2 LEU A 80 -4.116 20.819 2.023 1.00 0.23 C ATOM 0 H LEU A 80 -7.020 18.633 -1.023 1.00 0.11 H new ATOM 0 HA LEU A 80 -8.055 20.974 0.225 1.00 0.17 H new ATOM 0 HB2 LEU A 80 -6.571 19.403 1.357 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -5.333 19.620 0.135 1.00 0.19 H new ATOM 0 HG LEU A 80 -5.361 22.126 0.893 1.00 0.22 H new ATOM 0 HD11 LEU A 80 -5.933 22.409 3.270 1.00 0.25 H new ATOM 0 HD12 LEU A 80 -7.356 21.966 2.298 1.00 0.25 H new ATOM 0 HD13 LEU A 80 -6.558 20.743 3.314 1.00 0.25 H new ATOM 0 HD21 LEU A 80 -3.680 21.622 2.618 1.00 0.23 H new ATOM 0 HD22 LEU A 80 -4.215 19.924 2.638 1.00 0.23 H new ATOM 0 HD23 LEU A 80 -3.469 20.605 1.173 1.00 0.23 H new ATOM 1293 N ARG A 81 -5.785 21.330 -2.132 1.00 0.17 N ATOM 1294 CA ARG A 81 -5.152 22.284 -3.029 1.00 0.21 C ATOM 1295 C ARG A 81 -6.159 22.963 -3.952 1.00 0.22 C ATOM 1296 O ARG A 81 -6.139 24.182 -4.092 1.00 0.31 O ATOM 1297 CB ARG A 81 -4.070 21.599 -3.867 1.00 0.21 C ATOM 1298 CG ARG A 81 -2.935 21.004 -3.047 1.00 0.25 C ATOM 1299 CD ARG A 81 -1.680 20.829 -3.888 1.00 0.43 C ATOM 1300 NE ARG A 81 -1.192 22.095 -4.435 1.00 0.50 N ATOM 1301 CZ ARG A 81 -0.053 22.217 -5.124 1.00 0.50 C ATOM 1302 NH1 ARG A 81 0.734 21.166 -5.309 1.00 0.71 N1+ ATOM 1303 NH2 ARG A 81 0.302 23.395 -5.622 1.00 0.54 N ATOM 0 H ARG A 81 -5.519 20.359 -2.297 1.00 0.17 H new ATOM 0 HA ARG A 81 -4.699 23.053 -2.403 1.00 0.21 H new ATOM 0 HB2 ARG A 81 -4.530 20.808 -4.459 1.00 0.21 H new ATOM 0 HB3 ARG A 81 -3.656 22.323 -4.569 1.00 0.21 H new ATOM 0 HG2 ARG A 81 -2.719 21.652 -2.197 1.00 0.25 H new ATOM 0 HG3 ARG A 81 -3.242 20.039 -2.643 1.00 0.25 H new ATOM 0 HD2 ARG A 81 -0.899 20.375 -3.279 1.00 0.43 H new ATOM 0 HD3 ARG A 81 -1.888 20.139 -4.706 1.00 0.43 H new ATOM 0 HE ARG A 81 -1.753 22.933 -4.282 1.00 0.50 H new ATOM 0 HH11 ARG A 81 0.471 20.258 -4.925 1.00 0.71 H new ATOM 0 HH12 ARG A 81 1.602 21.265 -5.836 1.00 0.71 H new ATOM 0 HH21 ARG A 81 -0.295 24.210 -5.479 1.00 0.54 H new ATOM 0 HH22 ARG A 81 1.172 23.485 -6.147 1.00 0.54 H new ATOM 1317 N GLU A 82 -7.050 22.184 -4.564 1.00 0.13 N ATOM 1318 CA GLU A 82 -8.035 22.742 -5.493 1.00 0.14 C ATOM 1319 C GLU A 82 -9.017 23.673 -4.781 1.00 0.14 C ATOM 1320 O GLU A 82 -9.484 24.647 -5.365 1.00 0.14 O ATOM 1321 CB GLU A 82 -8.793 21.630 -6.222 1.00 0.14 C ATOM 1322 CG GLU A 82 -9.804 20.902 -5.358 1.00 0.06 C ATOM 1323 CD GLU A 82 -10.381 19.689 -6.046 1.00 0.18 C ATOM 1324 OE1 GLU A 82 -9.629 18.731 -6.289 1.00 1.21 O1- ATOM 1325 OE2 GLU A 82 -11.595 19.679 -6.332 1.00 0.84 O ATOM 0 H GLU A 82 -7.111 21.174 -4.436 1.00 0.13 H new ATOM 0 HA GLU A 82 -7.487 23.330 -6.229 1.00 0.14 H new ATOM 0 HB2 GLU A 82 -9.308 22.059 -7.082 1.00 0.14 H new ATOM 0 HB3 GLU A 82 -8.074 20.908 -6.608 1.00 0.14 H new ATOM 0 HG2 GLU A 82 -9.328 20.596 -4.426 1.00 0.06 H new ATOM 0 HG3 GLU A 82 -10.611 21.585 -5.094 1.00 0.06 H new ATOM 1332 N GLN A 83 -9.308 23.385 -3.516 1.00 0.14 N ATOM 1333 CA GLN A 83 -10.234 24.208 -2.746 1.00 0.14 C ATOM 1334 C GLN A 83 -9.615 25.571 -2.447 1.00 0.13 C ATOM 1335 O GLN A 83 -10.319 26.544 -2.174 1.00 0.13 O ATOM 1336 CB GLN A 83 -10.626 23.500 -1.444 1.00 0.14 C ATOM 1337 CG GLN A 83 -11.773 24.173 -0.704 1.00 0.11 C ATOM 1338 CD GLN A 83 -12.279 23.350 0.463 1.00 0.55 C ATOM 1339 OE1 GLN A 83 -11.748 23.425 1.567 1.00 0.86 O ATOM 1340 NE2 GLN A 83 -13.319 22.564 0.224 1.00 0.65 N ATOM 0 H GLN A 83 -8.919 22.593 -3.005 1.00 0.14 H new ATOM 0 HA GLN A 83 -11.135 24.361 -3.340 1.00 0.14 H new ATOM 0 HB2 GLN A 83 -10.905 22.471 -1.670 1.00 0.14 H new ATOM 0 HB3 GLN A 83 -9.757 23.458 -0.788 1.00 0.14 H new ATOM 0 HG2 GLN A 83 -11.444 25.147 -0.341 1.00 0.11 H new ATOM 0 HG3 GLN A 83 -12.593 24.352 -1.399 1.00 0.11 H new ATOM 0 HE21 GLN A 83 -13.730 22.532 -0.709 1.00 0.65 H new ATOM 0 HE22 GLN A 83 -13.708 21.991 0.973 1.00 0.65 H new ATOM 1349 N LEU A 84 -8.295 25.636 -2.517 1.00 0.13 N ATOM 1350 CA LEU A 84 -7.577 26.874 -2.262 1.00 0.10 C ATOM 1351 C LEU A 84 -7.241 27.583 -3.572 1.00 0.05 C ATOM 1352 O LEU A 84 -7.357 28.809 -3.676 1.00 0.17 O ATOM 1353 CB LEU A 84 -6.287 26.582 -1.490 1.00 0.13 C ATOM 1354 CG LEU A 84 -5.514 27.828 -1.019 1.00 0.14 C ATOM 1355 CD1 LEU A 84 -6.089 28.364 0.285 1.00 0.15 C ATOM 1356 CD2 LEU A 84 -4.024 27.533 -0.862 1.00 0.15 C ATOM 0 H LEU A 84 -7.697 24.843 -2.749 1.00 0.13 H new ATOM 0 HA LEU A 84 -8.217 27.525 -1.666 1.00 0.10 H new ATOM 0 HB2 LEU A 84 -6.532 25.974 -0.619 1.00 0.13 H new ATOM 0 HB3 LEU A 84 -5.631 25.983 -2.122 1.00 0.13 H new ATOM 0 HG LEU A 84 -5.627 28.593 -1.787 1.00 0.14 H new ATOM 0 HD11 LEU A 84 -5.526 29.244 0.597 1.00 0.15 H new ATOM 0 HD12 LEU A 84 -7.134 28.636 0.137 1.00 0.15 H new ATOM 0 HD13 LEU A 84 -6.019 27.597 1.056 1.00 0.15 H new ATOM 0 HD21 LEU A 84 -3.508 28.433 -0.529 1.00 0.15 H new ATOM 0 HD22 LEU A 84 -3.885 26.741 -0.126 1.00 0.15 H new ATOM 0 HD23 LEU A 84 -3.613 27.213 -1.820 1.00 0.15 H new ATOM 1368 N LYS A 85 -6.838 26.807 -4.571 1.00 0.12 N ATOM 1369 CA LYS A 85 -6.461 27.352 -5.869 1.00 0.08 C ATOM 1370 C LYS A 85 -7.674 27.843 -6.652 1.00 0.11 C ATOM 1371 O LYS A 85 -7.696 28.979 -7.122 1.00 0.11 O ATOM 1372 CB LYS A 85 -5.704 26.304 -6.686 1.00 0.02 C ATOM 1373 CG LYS A 85 -4.323 25.973 -6.134 1.00 0.15 C ATOM 1374 CD LYS A 85 -3.688 24.796 -6.861 1.00 0.18 C ATOM 1375 CE LYS A 85 -3.157 25.203 -8.227 1.00 0.27 C ATOM 1376 NZ LYS A 85 -2.614 24.043 -8.983 1.00 0.48 N1+ ATOM 0 H LYS A 85 -6.764 25.792 -4.506 1.00 0.12 H new ATOM 0 HA LYS A 85 -5.812 28.208 -5.687 1.00 0.08 H new ATOM 0 HB2 LYS A 85 -6.297 25.390 -6.726 1.00 0.02 H new ATOM 0 HB3 LYS A 85 -5.599 26.662 -7.710 1.00 0.02 H new ATOM 0 HG2 LYS A 85 -3.677 26.846 -6.224 1.00 0.15 H new ATOM 0 HG3 LYS A 85 -4.402 25.743 -5.071 1.00 0.15 H new ATOM 0 HD2 LYS A 85 -2.874 24.392 -6.259 1.00 0.18 H new ATOM 0 HD3 LYS A 85 -4.423 24.000 -6.978 1.00 0.18 H new ATOM 0 HE2 LYS A 85 -3.957 25.668 -8.803 1.00 0.27 H new ATOM 0 HE3 LYS A 85 -2.376 25.953 -8.103 1.00 0.27 H new ATOM 0 HZ1 LYS A 85 -2.263 24.365 -9.908 1.00 0.48 H new ATOM 0 HZ2 LYS A 85 -1.833 23.614 -8.447 1.00 0.48 H new ATOM 0 HZ3 LYS A 85 -3.366 23.338 -9.124 1.00 0.48 H new ATOM 1390 N LYS A 86 -8.684 26.993 -6.782 1.00 0.23 N ATOM 1391 CA LYS A 86 -9.888 27.349 -7.523 1.00 0.30 C ATOM 1392 C LYS A 86 -10.797 28.236 -6.681 1.00 0.31 C ATOM 1393 O LYS A 86 -10.772 29.469 -6.872 1.00 0.34 O ATOM 1394 CB LYS A 86 -10.635 26.087 -7.963 1.00 0.35 C ATOM 1395 CG LYS A 86 -11.712 26.344 -9.007 1.00 0.42 C ATOM 1396 CD LYS A 86 -12.310 25.046 -9.526 1.00 0.38 C ATOM 1397 CE LYS A 86 -13.203 24.376 -8.493 1.00 0.40 C ATOM 1398 NZ LYS A 86 -13.908 23.197 -9.061 1.00 0.64 N1+ ATOM 1399 OXT LYS A 86 -11.526 27.703 -5.819 1.00 0.35 O1- ATOM 0 H LYS A 86 -8.694 26.054 -6.385 1.00 0.23 H new ATOM 0 HA LYS A 86 -9.591 27.907 -8.411 1.00 0.30 H new ATOM 0 HB2 LYS A 86 -9.917 25.372 -8.364 1.00 0.35 H new ATOM 0 HB3 LYS A 86 -11.092 25.623 -7.089 1.00 0.35 H new ATOM 0 HG2 LYS A 86 -12.500 26.960 -8.574 1.00 0.42 H new ATOM 0 HG3 LYS A 86 -11.287 26.907 -9.838 1.00 0.42 H new ATOM 0 HD2 LYS A 86 -12.888 25.248 -10.428 1.00 0.38 H new ATOM 0 HD3 LYS A 86 -11.507 24.364 -9.808 1.00 0.38 H new ATOM 0 HE2 LYS A 86 -12.602 24.064 -7.639 1.00 0.40 H new ATOM 0 HE3 LYS A 86 -13.934 25.094 -8.123 1.00 0.40 H new ATOM 0 HZ1 LYS A 86 -14.508 22.765 -8.329 1.00 0.64 H new ATOM 0 HZ2 LYS A 86 -14.501 23.499 -9.860 1.00 0.64 H new ATOM 0 HZ3 LYS A 86 -13.210 22.501 -9.391 1.00 0.64 H new TER 1413 LYS A 86 ATOM 1414 N GLY B 1 -32.405 -0.835 23.888 1.00 1.09 N ATOM 1415 CA GLY B 1 -31.390 0.236 23.767 1.00 0.31 C ATOM 1416 C GLY B 1 -31.692 1.176 22.623 1.00 0.29 C ATOM 1417 O GLY B 1 -32.858 1.488 22.368 1.00 0.69 O ATOM 0 H1 GLY B 1 -32.723 -0.902 24.876 1.00 1.09 H new ATOM 0 H2 GLY B 1 -33.217 -0.614 23.277 1.00 1.09 H new ATOM 0 H3 GLY B 1 -31.989 -1.742 23.596 1.00 1.09 H new ATOM 0 HA2 GLY B 1 -31.346 0.801 24.698 1.00 0.31 H new ATOM 0 HA3 GLY B 1 -30.407 -0.211 23.619 1.00 0.31 H new ATOM 1423 N SER B 2 -30.643 1.624 21.938 1.00 0.38 N ATOM 1424 CA SER B 2 -30.775 2.532 20.806 1.00 0.63 C ATOM 1425 C SER B 2 -31.716 1.960 19.748 1.00 0.42 C ATOM 1426 O SER B 2 -31.607 0.790 19.376 1.00 0.44 O ATOM 1427 CB SER B 2 -29.397 2.784 20.197 1.00 1.08 C ATOM 1428 OG SER B 2 -28.401 2.809 21.205 1.00 1.47 O ATOM 0 H SER B 2 -29.680 1.367 22.153 1.00 0.38 H new ATOM 0 HA SER B 2 -31.200 3.471 21.161 1.00 0.63 H new ATOM 0 HB2 SER B 2 -29.167 2.005 19.471 1.00 1.08 H new ATOM 0 HB3 SER B 2 -29.400 3.731 19.658 1.00 1.08 H new ATOM 0 HG SER B 2 -27.525 2.970 20.796 1.00 1.47 H new ATOM 1434 N HIS B 3 -32.638 2.784 19.274 1.00 0.34 N ATOM 1435 CA HIS B 3 -33.599 2.352 18.273 1.00 0.24 C ATOM 1436 C HIS B 3 -33.010 2.392 16.870 1.00 0.25 C ATOM 1437 O HIS B 3 -33.076 1.406 16.140 1.00 0.45 O ATOM 1438 CB HIS B 3 -34.865 3.208 18.338 1.00 0.41 C ATOM 1439 CG HIS B 3 -35.860 2.721 19.344 1.00 0.33 C ATOM 1440 ND1 HIS B 3 -36.829 1.787 19.053 1.00 0.95 N ATOM 1441 CD2 HIS B 3 -36.032 3.044 20.647 1.00 1.09 C ATOM 1442 CE1 HIS B 3 -37.554 1.558 20.130 1.00 1.27 C ATOM 1443 NE2 HIS B 3 -37.091 2.306 21.111 1.00 1.42 N ATOM 0 H HIS B 3 -32.740 3.756 19.567 1.00 0.34 H new ATOM 0 HA HIS B 3 -33.857 1.317 18.496 1.00 0.24 H new ATOM 0 HB2 HIS B 3 -34.589 4.235 18.579 1.00 0.41 H new ATOM 0 HB3 HIS B 3 -35.333 3.226 17.354 1.00 0.41 H new ATOM 0 HD2 HIS B 3 -35.445 3.751 21.215 1.00 1.09 H new ATOM 0 HE1 HIS B 3 -38.386 0.873 20.197 1.00 1.27 H new ATOM 0 HE2 HIS B 3 -37.460 2.332 22.061 1.00 1.42 H new ATOM 1452 N MET B 4 -32.432 3.524 16.486 1.00 0.16 N ATOM 1453 CA MET B 4 -31.849 3.650 15.152 1.00 0.18 C ATOM 1454 C MET B 4 -30.532 4.425 15.164 1.00 0.37 C ATOM 1455 O MET B 4 -30.036 4.835 14.116 1.00 0.82 O ATOM 1456 CB MET B 4 -32.846 4.310 14.188 1.00 0.24 C ATOM 1457 CG MET B 4 -33.164 5.765 14.509 1.00 0.26 C ATOM 1458 SD MET B 4 -34.417 5.943 15.795 1.00 0.45 S ATOM 1459 CE MET B 4 -34.916 7.648 15.548 1.00 0.61 C ATOM 0 H MET B 4 -32.354 4.358 17.068 1.00 0.16 H new ATOM 0 HA MET B 4 -31.628 2.641 14.804 1.00 0.18 H new ATOM 0 HB2 MET B 4 -32.446 4.253 13.176 1.00 0.24 H new ATOM 0 HB3 MET B 4 -33.774 3.738 14.196 1.00 0.24 H new ATOM 0 HG2 MET B 4 -32.251 6.270 14.826 1.00 0.26 H new ATOM 0 HG3 MET B 4 -33.507 6.265 13.603 1.00 0.26 H new ATOM 0 HE1 MET B 4 -35.689 7.909 16.271 1.00 0.61 H new ATOM 0 HE2 MET B 4 -34.055 8.302 15.685 1.00 0.61 H new ATOM 0 HE3 MET B 4 -35.308 7.770 14.538 1.00 0.61 H new ATOM 1469 N THR B 5 -29.958 4.623 16.341 1.00 0.18 N ATOM 1470 CA THR B 5 -28.695 5.342 16.455 1.00 0.33 C ATOM 1471 C THR B 5 -27.514 4.405 16.202 1.00 0.22 C ATOM 1472 O THR B 5 -26.863 3.951 17.143 1.00 0.16 O ATOM 1473 CB THR B 5 -28.540 5.979 17.845 1.00 0.59 C ATOM 1474 OG1 THR B 5 -29.758 5.821 18.587 1.00 0.29 O ATOM 1475 CG2 THR B 5 -28.187 7.457 17.731 1.00 0.99 C ATOM 0 H THR B 5 -30.343 4.298 17.228 1.00 0.18 H new ATOM 0 HA THR B 5 -28.703 6.130 15.702 1.00 0.33 H new ATOM 0 HB THR B 5 -27.727 5.475 18.368 1.00 0.59 H new ATOM 0 HG1 THR B 5 -29.656 6.226 19.473 1.00 0.29 H new ATOM 0 HG21 THR B 5 -28.083 7.884 18.728 1.00 0.99 H new ATOM 0 HG22 THR B 5 -27.247 7.566 17.190 1.00 0.99 H new ATOM 0 HG23 THR B 5 -28.978 7.980 17.193 1.00 0.99 H new ATOM 1483 N GLU B 6 -27.253 4.103 14.936 1.00 0.23 N ATOM 1484 CA GLU B 6 -26.150 3.221 14.578 1.00 0.17 C ATOM 1485 C GLU B 6 -25.581 3.575 13.208 1.00 0.23 C ATOM 1486 O GLU B 6 -26.320 3.689 12.227 1.00 0.52 O ATOM 1487 CB GLU B 6 -26.611 1.760 14.589 1.00 0.15 C ATOM 1488 CG GLU B 6 -25.478 0.763 14.401 1.00 0.15 C ATOM 1489 CD GLU B 6 -25.912 -0.660 14.678 1.00 1.15 C ATOM 1490 OE1 GLU B 6 -26.223 -0.968 15.845 1.00 1.72 O1- ATOM 1491 OE2 GLU B 6 -25.947 -1.476 13.732 1.00 1.76 O ATOM 0 H GLU B 6 -27.789 4.455 14.142 1.00 0.23 H new ATOM 0 HA GLU B 6 -25.363 3.355 15.320 1.00 0.17 H new ATOM 0 HB2 GLU B 6 -27.113 1.553 15.534 1.00 0.15 H new ATOM 0 HB3 GLU B 6 -27.347 1.614 13.799 1.00 0.15 H new ATOM 0 HG2 GLU B 6 -25.101 0.833 13.381 1.00 0.15 H new ATOM 0 HG3 GLU B 6 -24.653 1.024 15.064 1.00 0.15 H new ATOM 1498 N GLN B 7 -24.269 3.759 13.154 1.00 0.15 N ATOM 1499 CA GLN B 7 -23.584 4.090 11.915 1.00 0.22 C ATOM 1500 C GLN B 7 -22.210 3.423 11.882 1.00 0.22 C ATOM 1501 O GLN B 7 -21.223 3.989 12.360 1.00 0.45 O ATOM 1502 CB GLN B 7 -23.436 5.608 11.774 1.00 0.57 C ATOM 1503 CG GLN B 7 -22.875 6.044 10.431 1.00 0.48 C ATOM 1504 CD GLN B 7 -22.547 7.523 10.392 1.00 0.33 C ATOM 1505 OE1 GLN B 7 -23.400 8.352 10.083 1.00 0.26 O ATOM 1506 NE2 GLN B 7 -21.308 7.865 10.706 1.00 0.86 N ATOM 0 H GLN B 7 -23.654 3.683 13.964 1.00 0.15 H new ATOM 0 HA GLN B 7 -24.178 3.720 11.079 1.00 0.22 H new ATOM 0 HB2 GLN B 7 -24.410 6.074 11.920 1.00 0.57 H new ATOM 0 HB3 GLN B 7 -22.785 5.976 12.567 1.00 0.57 H new ATOM 0 HG2 GLN B 7 -21.975 5.470 10.213 1.00 0.48 H new ATOM 0 HG3 GLN B 7 -23.597 5.814 9.647 1.00 0.48 H new ATOM 0 HE21 GLN B 7 -20.629 7.147 10.957 1.00 0.86 H new ATOM 0 HE22 GLN B 7 -21.032 8.847 10.697 1.00 0.86 H new ATOM 1515 N PRO B 8 -22.138 2.193 11.356 1.00 0.27 N ATOM 1516 CA PRO B 8 -20.890 1.449 11.258 1.00 0.51 C ATOM 1517 C PRO B 8 -20.167 1.702 9.933 1.00 0.35 C ATOM 1518 O PRO B 8 -20.624 2.494 9.104 1.00 0.14 O ATOM 1519 CB PRO B 8 -21.368 0.003 11.347 1.00 0.80 C ATOM 1520 CG PRO B 8 -22.723 0.006 10.704 1.00 0.79 C ATOM 1521 CD PRO B 8 -23.272 1.413 10.827 1.00 0.38 C ATOM 0 HA PRO B 8 -20.167 1.730 12.024 1.00 0.51 H new ATOM 0 HB2 PRO B 8 -20.686 -0.671 10.829 1.00 0.80 H new ATOM 0 HB3 PRO B 8 -21.423 -0.332 12.383 1.00 0.80 H new ATOM 0 HG2 PRO B 8 -22.653 -0.290 9.657 1.00 0.79 H new ATOM 0 HG3 PRO B 8 -23.383 -0.709 11.194 1.00 0.79 H new ATOM 0 HD2 PRO B 8 -23.606 1.797 9.863 1.00 0.38 H new ATOM 0 HD3 PRO B 8 -24.130 1.450 11.499 1.00 0.38 H new ATOM 1529 N LYS B 9 -19.043 1.026 9.738 1.00 0.47 N ATOM 1530 CA LYS B 9 -18.271 1.168 8.514 1.00 0.33 C ATOM 1531 C LYS B 9 -18.832 0.242 7.437 1.00 0.35 C ATOM 1532 O LYS B 9 -19.646 -0.632 7.727 1.00 0.52 O ATOM 1533 CB LYS B 9 -16.796 0.842 8.773 1.00 0.23 C ATOM 1534 CG LYS B 9 -16.521 -0.644 8.961 1.00 0.28 C ATOM 1535 CD LYS B 9 -15.068 -0.908 9.333 1.00 0.35 C ATOM 1536 CE LYS B 9 -14.876 -1.001 10.837 1.00 0.69 C ATOM 1537 NZ LYS B 9 -15.550 -2.196 11.411 1.00 0.89 N1+ ATOM 0 H LYS B 9 -18.646 0.373 10.414 1.00 0.47 H new ATOM 0 HA LYS B 9 -18.343 2.200 8.170 1.00 0.33 H new ATOM 0 HB2 LYS B 9 -16.200 1.210 7.938 1.00 0.23 H new ATOM 0 HB3 LYS B 9 -16.465 1.379 9.662 1.00 0.23 H new ATOM 0 HG2 LYS B 9 -17.173 -1.039 9.740 1.00 0.28 H new ATOM 0 HG3 LYS B 9 -16.764 -1.178 8.042 1.00 0.28 H new ATOM 0 HD2 LYS B 9 -14.737 -1.836 8.867 1.00 0.35 H new ATOM 0 HD3 LYS B 9 -14.441 -0.110 8.936 1.00 0.35 H new ATOM 0 HE2 LYS B 9 -13.811 -1.041 11.065 1.00 0.69 H new ATOM 0 HE3 LYS B 9 -15.269 -0.101 11.309 1.00 0.69 H new ATOM 0 HZ1 LYS B 9 -15.079 -2.468 12.297 1.00 0.89 H new ATOM 0 HZ2 LYS B 9 -16.547 -1.973 11.603 1.00 0.89 H new ATOM 0 HZ3 LYS B 9 -15.495 -2.984 10.734 1.00 0.89 H new ATOM 1551 N THR B 10 -18.404 0.433 6.200 1.00 0.33 N ATOM 1552 CA THR B 10 -18.877 -0.398 5.107 1.00 0.31 C ATOM 1553 C THR B 10 -17.716 -1.162 4.472 1.00 0.23 C ATOM 1554 O THR B 10 -16.574 -0.682 4.450 1.00 0.23 O ATOM 1555 CB THR B 10 -19.623 0.436 4.037 1.00 0.36 C ATOM 1556 OG1 THR B 10 -20.412 -0.420 3.198 1.00 0.42 O ATOM 1557 CG2 THR B 10 -18.656 1.227 3.168 1.00 0.28 C ATOM 0 H THR B 10 -17.733 1.152 5.929 1.00 0.33 H new ATOM 0 HA THR B 10 -19.585 -1.115 5.522 1.00 0.31 H new ATOM 0 HB THR B 10 -20.269 1.137 4.566 1.00 0.36 H new ATOM 0 HG1 THR B 10 -20.880 0.120 2.527 1.00 0.42 H new ATOM 0 HG21 THR B 10 -19.216 1.800 2.429 1.00 0.28 H new ATOM 0 HG22 THR B 10 -18.079 1.908 3.793 1.00 0.28 H new ATOM 0 HG23 THR B 10 -17.980 0.541 2.659 1.00 0.28 H new ATOM 1565 N ARG B 11 -18.007 -2.354 3.982 1.00 0.25 N ATOM 1566 CA ARG B 11 -16.999 -3.186 3.347 1.00 0.21 C ATOM 1567 C ARG B 11 -17.402 -3.490 1.910 1.00 0.27 C ATOM 1568 O ARG B 11 -18.586 -3.500 1.583 1.00 0.53 O ATOM 1569 CB ARG B 11 -16.781 -4.485 4.141 1.00 0.24 C ATOM 1570 CG ARG B 11 -18.041 -5.304 4.369 1.00 0.31 C ATOM 1571 CD ARG B 11 -17.753 -6.520 5.238 1.00 0.68 C ATOM 1572 NE ARG B 11 -18.955 -7.305 5.510 1.00 1.23 N ATOM 1573 CZ ARG B 11 -19.126 -8.054 6.602 1.00 1.21 C ATOM 1574 NH1 ARG B 11 -18.188 -8.090 7.543 1.00 1.36 N1+ ATOM 1575 NH2 ARG B 11 -20.240 -8.760 6.756 1.00 1.72 N ATOM 0 H ARG B 11 -18.938 -2.770 4.012 1.00 0.25 H new ATOM 0 HA ARG B 11 -16.055 -2.641 3.336 1.00 0.21 H new ATOM 0 HB2 ARG B 11 -16.053 -5.101 3.613 1.00 0.24 H new ATOM 0 HB3 ARG B 11 -16.345 -4.236 5.108 1.00 0.24 H new ATOM 0 HG2 ARG B 11 -18.800 -4.684 4.845 1.00 0.31 H new ATOM 0 HG3 ARG B 11 -18.448 -5.626 3.410 1.00 0.31 H new ATOM 0 HD2 ARG B 11 -17.014 -7.151 4.743 1.00 0.68 H new ATOM 0 HD3 ARG B 11 -17.314 -6.194 6.181 1.00 0.68 H new ATOM 0 HE ARG B 11 -19.709 -7.279 4.824 1.00 1.23 H new ATOM 0 HH11 ARG B 11 -17.334 -7.544 7.432 1.00 1.36 H new ATOM 0 HH12 ARG B 11 -18.323 -8.664 8.376 1.00 1.36 H new ATOM 0 HH21 ARG B 11 -20.966 -8.730 6.040 1.00 1.72 H new ATOM 0 HH22 ARG B 11 -20.370 -9.332 7.590 1.00 1.72 H new ATOM 1589 N VAL B 12 -16.421 -3.729 1.058 1.00 0.16 N ATOM 1590 CA VAL B 12 -16.689 -4.010 -0.345 1.00 0.15 C ATOM 1591 C VAL B 12 -15.987 -5.294 -0.793 1.00 0.12 C ATOM 1592 O VAL B 12 -14.927 -5.651 -0.271 1.00 0.17 O ATOM 1593 CB VAL B 12 -16.247 -2.827 -1.240 1.00 0.19 C ATOM 1594 CG1 VAL B 12 -14.730 -2.702 -1.277 1.00 0.13 C ATOM 1595 CG2 VAL B 12 -16.814 -2.961 -2.649 1.00 0.25 C ATOM 0 H VAL B 12 -15.433 -3.735 1.310 1.00 0.16 H new ATOM 0 HA VAL B 12 -17.765 -4.147 -0.453 1.00 0.15 H new ATOM 0 HB VAL B 12 -16.649 -1.914 -0.801 1.00 0.19 H new ATOM 0 HG11 VAL B 12 -14.449 -1.863 -1.913 1.00 0.13 H new ATOM 0 HG12 VAL B 12 -14.354 -2.534 -0.268 1.00 0.13 H new ATOM 0 HG13 VAL B 12 -14.299 -3.620 -1.676 1.00 0.13 H new ATOM 0 HG21 VAL B 12 -16.487 -2.116 -3.255 1.00 0.25 H new ATOM 0 HG22 VAL B 12 -16.458 -3.888 -3.098 1.00 0.25 H new ATOM 0 HG23 VAL B 12 -17.903 -2.975 -2.603 1.00 0.25 H new ATOM 1605 N SER B 13 -16.600 -5.994 -1.739 1.00 0.09 N ATOM 1606 CA SER B 13 -16.041 -7.228 -2.270 1.00 0.12 C ATOM 1607 C SER B 13 -15.450 -6.982 -3.658 1.00 0.18 C ATOM 1608 O SER B 13 -16.129 -6.466 -4.548 1.00 0.48 O ATOM 1609 CB SER B 13 -17.122 -8.306 -2.336 1.00 0.12 C ATOM 1610 OG SER B 13 -17.963 -8.244 -1.196 1.00 0.38 O ATOM 0 H SER B 13 -17.491 -5.724 -2.156 1.00 0.09 H new ATOM 0 HA SER B 13 -15.245 -7.571 -1.608 1.00 0.12 H new ATOM 0 HB2 SER B 13 -17.717 -8.176 -3.240 1.00 0.12 H new ATOM 0 HB3 SER B 13 -16.658 -9.290 -2.398 1.00 0.12 H new ATOM 0 HG SER B 13 -18.649 -8.941 -1.258 1.00 0.38 H new ATOM 1616 N VAL B 14 -14.188 -7.342 -3.836 1.00 0.14 N ATOM 1617 CA VAL B 14 -13.507 -7.154 -5.110 1.00 0.13 C ATOM 1618 C VAL B 14 -12.752 -8.417 -5.507 1.00 0.09 C ATOM 1619 O VAL B 14 -12.589 -9.326 -4.693 1.00 0.19 O ATOM 1620 CB VAL B 14 -12.508 -5.977 -5.055 1.00 0.15 C ATOM 1621 CG1 VAL B 14 -13.226 -4.653 -4.827 1.00 0.27 C ATOM 1622 CG2 VAL B 14 -11.461 -6.211 -3.975 1.00 0.17 C ATOM 0 H VAL B 14 -13.611 -7.768 -3.111 1.00 0.14 H new ATOM 0 HA VAL B 14 -14.276 -6.931 -5.850 1.00 0.13 H new ATOM 0 HB VAL B 14 -12.004 -5.923 -6.020 1.00 0.15 H new ATOM 0 HG11 VAL B 14 -12.496 -3.844 -4.793 1.00 0.27 H new ATOM 0 HG12 VAL B 14 -13.928 -4.475 -5.642 1.00 0.27 H new ATOM 0 HG13 VAL B 14 -13.769 -4.691 -3.883 1.00 0.27 H new ATOM 0 HG21 VAL B 14 -10.767 -5.371 -3.953 1.00 0.17 H new ATOM 0 HG22 VAL B 14 -11.952 -6.302 -3.006 1.00 0.17 H new ATOM 0 HG23 VAL B 14 -10.913 -7.128 -4.192 1.00 0.17 H new ATOM 1632 N ARG B 15 -12.281 -8.466 -6.747 1.00 0.17 N ATOM 1633 CA ARG B 15 -11.538 -9.622 -7.235 1.00 0.12 C ATOM 1634 C ARG B 15 -10.080 -9.252 -7.495 1.00 0.08 C ATOM 1635 O ARG B 15 -9.789 -8.365 -8.297 1.00 0.12 O ATOM 1636 CB ARG B 15 -12.178 -10.173 -8.511 1.00 0.19 C ATOM 1637 CG ARG B 15 -11.493 -11.424 -9.043 1.00 0.32 C ATOM 1638 CD ARG B 15 -12.488 -12.407 -9.640 1.00 0.37 C ATOM 1639 NE ARG B 15 -13.073 -11.918 -10.887 1.00 0.23 N ATOM 1640 CZ ARG B 15 -13.854 -12.651 -11.681 1.00 0.17 C ATOM 1641 NH1 ARG B 15 -14.124 -13.912 -11.370 1.00 0.20 N1+ ATOM 1642 NH2 ARG B 15 -14.354 -12.128 -12.794 1.00 0.33 N ATOM 0 H ARG B 15 -12.400 -7.720 -7.432 1.00 0.17 H new ATOM 0 HA ARG B 15 -11.569 -10.396 -6.468 1.00 0.12 H new ATOM 0 HB2 ARG B 15 -13.226 -10.398 -8.314 1.00 0.19 H new ATOM 0 HB3 ARG B 15 -12.157 -9.402 -9.281 1.00 0.19 H new ATOM 0 HG2 ARG B 15 -10.762 -11.143 -9.801 1.00 0.32 H new ATOM 0 HG3 ARG B 15 -10.945 -11.909 -8.235 1.00 0.32 H new ATOM 0 HD2 ARG B 15 -11.989 -13.358 -9.824 1.00 0.37 H new ATOM 0 HD3 ARG B 15 -13.283 -12.598 -8.919 1.00 0.37 H new ATOM 0 HE ARG B 15 -12.872 -10.958 -11.167 1.00 0.23 H new ATOM 0 HH11 ARG B 15 -13.734 -14.323 -10.522 1.00 0.20 H new ATOM 0 HH12 ARG B 15 -14.722 -14.471 -11.979 1.00 0.20 H new ATOM 0 HH21 ARG B 15 -14.141 -11.162 -13.044 1.00 0.33 H new ATOM 0 HH22 ARG B 15 -14.951 -12.692 -13.399 1.00 0.33 H new ATOM 1656 N ILE B 16 -9.169 -9.934 -6.811 1.00 0.03 N ATOM 1657 CA ILE B 16 -7.744 -9.669 -6.956 1.00 0.08 C ATOM 1658 C ILE B 16 -6.973 -10.971 -7.159 1.00 0.13 C ATOM 1659 O ILE B 16 -7.148 -11.928 -6.400 1.00 0.15 O ATOM 1660 CB ILE B 16 -7.169 -8.943 -5.718 1.00 0.10 C ATOM 1661 CG1 ILE B 16 -8.148 -7.880 -5.206 1.00 0.11 C ATOM 1662 CG2 ILE B 16 -5.827 -8.309 -6.058 1.00 0.15 C ATOM 1663 CD1 ILE B 16 -7.858 -7.422 -3.796 1.00 0.15 C ATOM 0 H ILE B 16 -9.393 -10.677 -6.149 1.00 0.03 H new ATOM 0 HA ILE B 16 -7.629 -9.026 -7.829 1.00 0.08 H new ATOM 0 HB ILE B 16 -7.021 -9.677 -4.926 1.00 0.10 H new ATOM 0 HG12 ILE B 16 -8.117 -7.018 -5.873 1.00 0.11 H new ATOM 0 HG13 ILE B 16 -9.161 -8.280 -5.248 1.00 0.11 H new ATOM 0 HG21 ILE B 16 -5.432 -7.801 -5.179 1.00 0.15 H new ATOM 0 HG22 ILE B 16 -5.128 -9.084 -6.374 1.00 0.15 H new ATOM 0 HG23 ILE B 16 -5.959 -7.588 -6.865 1.00 0.15 H new ATOM 0 HD11 ILE B 16 -8.590 -6.670 -3.500 1.00 0.15 H new ATOM 0 HD12 ILE B 16 -7.917 -8.273 -3.118 1.00 0.15 H new ATOM 0 HD13 ILE B 16 -6.858 -6.992 -3.752 1.00 0.15 H new ATOM 1675 N TYR B 17 -6.140 -11.004 -8.196 1.00 0.18 N ATOM 1676 CA TYR B 17 -5.315 -12.167 -8.515 1.00 0.25 C ATOM 1677 C TYR B 17 -6.170 -13.397 -8.828 1.00 0.24 C ATOM 1678 O TYR B 17 -5.728 -14.538 -8.674 1.00 0.27 O ATOM 1679 CB TYR B 17 -4.342 -12.452 -7.365 1.00 0.29 C ATOM 1680 CG TYR B 17 -2.946 -12.838 -7.805 1.00 0.23 C ATOM 1681 CD1 TYR B 17 -2.257 -12.094 -8.756 1.00 0.22 C ATOM 1682 CD2 TYR B 17 -2.314 -13.947 -7.259 1.00 0.27 C ATOM 1683 CE1 TYR B 17 -0.981 -12.449 -9.151 1.00 0.20 C ATOM 1684 CE2 TYR B 17 -1.039 -14.304 -7.647 1.00 0.31 C ATOM 1685 CZ TYR B 17 -0.379 -13.555 -8.593 1.00 0.26 C ATOM 1686 OH TYR B 17 0.891 -13.916 -8.985 1.00 0.34 O ATOM 0 H TYR B 17 -6.017 -10.223 -8.841 1.00 0.18 H new ATOM 0 HA TYR B 17 -4.741 -11.939 -9.413 1.00 0.25 H new ATOM 0 HB2 TYR B 17 -4.278 -11.567 -6.732 1.00 0.29 H new ATOM 0 HB3 TYR B 17 -4.751 -13.254 -6.751 1.00 0.29 H new ATOM 0 HD1 TYR B 17 -2.726 -11.225 -9.193 1.00 0.22 H new ATOM 0 HD2 TYR B 17 -2.829 -14.540 -6.518 1.00 0.27 H new ATOM 0 HE1 TYR B 17 -0.459 -11.863 -9.893 1.00 0.20 H new ATOM 0 HE2 TYR B 17 -0.561 -15.168 -7.210 1.00 0.31 H new ATOM 0 HH TYR B 17 1.169 -14.718 -8.495 1.00 0.34 H new ATOM 1696 N GLY B 18 -7.396 -13.155 -9.274 1.00 0.21 N ATOM 1697 CA GLY B 18 -8.289 -14.241 -9.626 1.00 0.22 C ATOM 1698 C GLY B 18 -9.335 -14.534 -8.564 1.00 0.22 C ATOM 1699 O GLY B 18 -10.485 -14.826 -8.891 1.00 0.24 O ATOM 0 H GLY B 18 -7.789 -12.222 -9.398 1.00 0.21 H new ATOM 0 HA2 GLY B 18 -8.791 -13.999 -10.562 1.00 0.22 H new ATOM 0 HA3 GLY B 18 -7.701 -15.141 -9.804 1.00 0.22 H new ATOM 1703 N GLN B 19 -8.954 -14.455 -7.299 1.00 0.20 N ATOM 1704 CA GLN B 19 -9.885 -14.737 -6.210 1.00 0.21 C ATOM 1705 C GLN B 19 -10.591 -13.467 -5.746 1.00 0.18 C ATOM 1706 O GLN B 19 -10.172 -12.361 -6.074 1.00 0.13 O ATOM 1707 CB GLN B 19 -9.157 -15.390 -5.032 1.00 0.22 C ATOM 1708 CG GLN B 19 -8.838 -16.865 -5.235 1.00 0.56 C ATOM 1709 CD GLN B 19 -7.601 -17.096 -6.084 1.00 0.86 C ATOM 1710 OE1 GLN B 19 -6.479 -17.087 -5.582 1.00 0.81 O ATOM 1711 NE2 GLN B 19 -7.798 -17.333 -7.370 1.00 1.36 N ATOM 0 H GLN B 19 -8.013 -14.200 -6.999 1.00 0.20 H new ATOM 0 HA GLN B 19 -10.637 -15.430 -6.589 1.00 0.21 H new ATOM 0 HB2 GLN B 19 -8.228 -14.851 -4.850 1.00 0.22 H new ATOM 0 HB3 GLN B 19 -9.769 -15.282 -4.136 1.00 0.22 H new ATOM 0 HG2 GLN B 19 -8.697 -17.337 -4.263 1.00 0.56 H new ATOM 0 HG3 GLN B 19 -9.691 -17.353 -5.706 1.00 0.56 H new ATOM 0 HE21 GLN B 19 -8.745 -17.332 -7.750 1.00 1.36 H new ATOM 0 HE22 GLN B 19 -7.003 -17.517 -7.982 1.00 1.36 H new ATOM 1720 N ASP B 20 -11.670 -13.634 -4.993 1.00 0.24 N ATOM 1721 CA ASP B 20 -12.434 -12.501 -4.484 1.00 0.24 C ATOM 1722 C ASP B 20 -12.147 -12.285 -3.005 1.00 0.23 C ATOM 1723 O ASP B 20 -11.966 -13.242 -2.247 1.00 0.23 O ATOM 1724 CB ASP B 20 -13.933 -12.716 -4.707 1.00 0.31 C ATOM 1725 CG ASP B 20 -14.501 -13.827 -3.847 1.00 0.41 C ATOM 1726 OD1 ASP B 20 -14.120 -15.001 -4.052 1.00 1.64 O ATOM 1727 OD2 ASP B 20 -15.336 -13.536 -2.966 1.00 0.39 O1- ATOM 0 H ASP B 20 -12.037 -14.546 -4.720 1.00 0.24 H new ATOM 0 HA ASP B 20 -12.127 -11.610 -5.032 1.00 0.24 H new ATOM 0 HB2 ASP B 20 -14.464 -11.789 -4.492 1.00 0.31 H new ATOM 0 HB3 ASP B 20 -14.110 -12.949 -5.757 1.00 0.31 H new ATOM 1732 N TYR B 21 -12.088 -11.023 -2.603 1.00 0.23 N ATOM 1733 CA TYR B 21 -11.811 -10.669 -1.218 1.00 0.22 C ATOM 1734 C TYR B 21 -12.703 -9.517 -0.775 1.00 0.24 C ATOM 1735 O TYR B 21 -13.167 -8.730 -1.600 1.00 0.36 O ATOM 1736 CB TYR B 21 -10.338 -10.276 -1.045 1.00 0.19 C ATOM 1737 CG TYR B 21 -9.363 -11.296 -1.595 1.00 0.17 C ATOM 1738 CD1 TYR B 21 -8.978 -12.398 -0.841 1.00 0.16 C ATOM 1739 CD2 TYR B 21 -8.840 -11.161 -2.876 1.00 0.17 C ATOM 1740 CE1 TYR B 21 -8.101 -13.336 -1.351 1.00 0.15 C ATOM 1741 CE2 TYR B 21 -7.960 -12.094 -3.387 1.00 0.16 C ATOM 1742 CZ TYR B 21 -7.596 -13.178 -2.622 1.00 0.15 C ATOM 1743 OH TYR B 21 -6.724 -14.112 -3.129 1.00 0.14 O ATOM 0 H TYR B 21 -12.229 -10.223 -3.220 1.00 0.23 H new ATOM 0 HA TYR B 21 -12.020 -11.541 -0.598 1.00 0.22 H new ATOM 0 HB2 TYR B 21 -10.166 -9.320 -1.540 1.00 0.19 H new ATOM 0 HB3 TYR B 21 -10.134 -10.127 0.015 1.00 0.19 H new ATOM 0 HD1 TYR B 21 -9.370 -12.523 0.158 1.00 0.16 H new ATOM 0 HD2 TYR B 21 -9.127 -10.313 -3.481 1.00 0.17 H new ATOM 0 HE1 TYR B 21 -7.813 -14.189 -0.755 1.00 0.15 H new ATOM 0 HE2 TYR B 21 -7.559 -11.973 -4.383 1.00 0.16 H new ATOM 0 HH TYR B 21 -6.461 -13.855 -4.038 1.00 0.14 H new ATOM 1753 N THR B 22 -12.936 -9.422 0.523 1.00 0.18 N ATOM 1754 CA THR B 22 -13.761 -8.362 1.082 1.00 0.18 C ATOM 1755 C THR B 22 -12.925 -7.481 2.002 1.00 0.16 C ATOM 1756 O THR B 22 -12.323 -7.975 2.956 1.00 0.21 O ATOM 1757 CB THR B 22 -14.947 -8.944 1.874 1.00 0.20 C ATOM 1758 OG1 THR B 22 -15.449 -10.108 1.206 1.00 0.54 O ATOM 1759 CG2 THR B 22 -16.061 -7.918 2.017 1.00 0.26 C ATOM 0 H THR B 22 -12.562 -10.071 1.215 1.00 0.18 H new ATOM 0 HA THR B 22 -14.150 -7.767 0.256 1.00 0.18 H new ATOM 0 HB THR B 22 -14.596 -9.214 2.870 1.00 0.20 H new ATOM 0 HG1 THR B 22 -16.202 -10.477 1.713 1.00 0.54 H new ATOM 0 HG21 THR B 22 -16.887 -8.353 2.580 1.00 0.26 H new ATOM 0 HG22 THR B 22 -15.684 -7.042 2.545 1.00 0.26 H new ATOM 0 HG23 THR B 22 -16.412 -7.622 1.028 1.00 0.26 H new ATOM 1767 N ILE B 23 -12.881 -6.188 1.716 1.00 0.11 N ATOM 1768 CA ILE B 23 -12.104 -5.260 2.525 1.00 0.11 C ATOM 1769 C ILE B 23 -12.939 -4.048 2.903 1.00 0.14 C ATOM 1770 O ILE B 23 -14.090 -3.931 2.487 1.00 0.32 O ATOM 1771 CB ILE B 23 -10.809 -4.786 1.821 1.00 0.07 C ATOM 1772 CG1 ILE B 23 -11.116 -4.079 0.481 1.00 0.07 C ATOM 1773 CG2 ILE B 23 -9.845 -5.951 1.643 1.00 0.03 C ATOM 1774 CD1 ILE B 23 -11.241 -4.989 -0.732 1.00 0.08 C ATOM 0 H ILE B 23 -13.373 -5.758 0.932 1.00 0.11 H new ATOM 0 HA ILE B 23 -11.814 -5.809 3.421 1.00 0.11 H new ATOM 0 HB ILE B 23 -10.325 -4.046 2.458 1.00 0.07 H new ATOM 0 HG12 ILE B 23 -12.046 -3.521 0.591 1.00 0.07 H new ATOM 0 HG13 ILE B 23 -10.328 -3.351 0.287 1.00 0.07 H new ATOM 0 HG21 ILE B 23 -8.940 -5.602 1.147 1.00 0.03 H new ATOM 0 HG22 ILE B 23 -9.588 -6.363 2.619 1.00 0.03 H new ATOM 0 HG23 ILE B 23 -10.316 -6.724 1.036 1.00 0.03 H new ATOM 0 HD11 ILE B 23 -11.457 -4.389 -1.616 1.00 0.08 H new ATOM 0 HD12 ILE B 23 -10.306 -5.529 -0.879 1.00 0.08 H new ATOM 0 HD13 ILE B 23 -12.050 -5.701 -0.571 1.00 0.08 H new ATOM 1786 N VAL B 24 -12.352 -3.151 3.678 1.00 0.16 N ATOM 1787 CA VAL B 24 -13.040 -1.950 4.126 1.00 0.17 C ATOM 1788 C VAL B 24 -12.992 -0.869 3.051 1.00 0.22 C ATOM 1789 O VAL B 24 -11.920 -0.527 2.551 1.00 0.28 O ATOM 1790 CB VAL B 24 -12.421 -1.413 5.435 1.00 0.19 C ATOM 1791 CG1 VAL B 24 -13.118 -0.136 5.885 1.00 0.20 C ATOM 1792 CG2 VAL B 24 -12.484 -2.472 6.526 1.00 0.18 C ATOM 0 H VAL B 24 -11.392 -3.233 4.013 1.00 0.16 H new ATOM 0 HA VAL B 24 -14.080 -2.215 4.316 1.00 0.17 H new ATOM 0 HB VAL B 24 -11.375 -1.175 5.243 1.00 0.19 H new ATOM 0 HG11 VAL B 24 -12.663 0.221 6.809 1.00 0.20 H new ATOM 0 HG12 VAL B 24 -13.016 0.626 5.112 1.00 0.20 H new ATOM 0 HG13 VAL B 24 -14.175 -0.339 6.056 1.00 0.20 H new ATOM 0 HG21 VAL B 24 -12.044 -2.078 7.442 1.00 0.18 H new ATOM 0 HG22 VAL B 24 -13.524 -2.743 6.711 1.00 0.18 H new ATOM 0 HG23 VAL B 24 -11.930 -3.355 6.208 1.00 0.18 H new ATOM 1802 N GLY B 25 -14.155 -0.330 2.702 1.00 0.21 N ATOM 1803 CA GLY B 25 -14.217 0.701 1.686 1.00 0.27 C ATOM 1804 C GLY B 25 -14.893 1.959 2.191 1.00 0.07 C ATOM 1805 O GLY B 25 -15.804 2.483 1.551 1.00 0.28 O ATOM 0 H GLY B 25 -15.055 -0.589 3.105 1.00 0.21 H new ATOM 0 HA2 GLY B 25 -13.208 0.941 1.352 1.00 0.27 H new ATOM 0 HA3 GLY B 25 -14.758 0.323 0.819 1.00 0.27 H new ATOM 1809 N ALA B 26 -14.446 2.446 3.337 1.00 0.15 N ATOM 1810 CA ALA B 26 -15.021 3.640 3.935 1.00 0.36 C ATOM 1811 C ALA B 26 -14.400 4.909 3.358 1.00 0.34 C ATOM 1812 O ALA B 26 -13.675 5.628 4.048 1.00 0.57 O ATOM 1813 CB ALA B 26 -14.859 3.602 5.447 1.00 0.61 C ATOM 0 H ALA B 26 -13.684 2.031 3.873 1.00 0.15 H new ATOM 0 HA ALA B 26 -16.084 3.657 3.696 1.00 0.36 H new ATOM 0 HB1 ALA B 26 -15.294 4.502 5.882 1.00 0.61 H new ATOM 0 HB2 ALA B 26 -15.367 2.724 5.845 1.00 0.61 H new ATOM 0 HB3 ALA B 26 -13.799 3.553 5.698 1.00 0.61 H new ATOM 1819 N GLU B 27 -14.678 5.167 2.088 1.00 0.08 N ATOM 1820 CA GLU B 27 -14.172 6.348 1.416 1.00 0.06 C ATOM 1821 C GLU B 27 -15.100 6.719 0.256 1.00 0.07 C ATOM 1822 O GLU B 27 -15.779 7.747 0.301 1.00 0.08 O ATOM 1823 CB GLU B 27 -12.731 6.117 0.942 1.00 0.06 C ATOM 1824 CG GLU B 27 -12.091 7.347 0.325 1.00 0.97 C ATOM 1825 CD GLU B 27 -12.044 7.289 -1.187 1.00 1.82 C ATOM 1826 OE1 GLU B 27 -12.394 6.234 -1.756 1.00 2.44 O1- ATOM 1827 OE2 GLU B 27 -11.673 8.301 -1.814 1.00 2.18 O ATOM 0 H GLU B 27 -15.257 4.566 1.501 1.00 0.08 H new ATOM 0 HA GLU B 27 -14.154 7.185 2.114 1.00 0.06 H new ATOM 0 HB2 GLU B 27 -12.127 5.789 1.788 1.00 0.06 H new ATOM 0 HB3 GLU B 27 -12.723 5.308 0.212 1.00 0.06 H new ATOM 0 HG2 GLU B 27 -12.647 8.233 0.633 1.00 0.97 H new ATOM 0 HG3 GLU B 27 -11.078 7.456 0.711 1.00 0.97 H new ATOM 1834 N SER B 28 -15.145 5.873 -0.768 1.00 0.08 N ATOM 1835 CA SER B 28 -15.999 6.104 -1.923 1.00 0.11 C ATOM 1836 C SER B 28 -16.116 4.827 -2.745 1.00 0.14 C ATOM 1837 O SER B 28 -15.138 4.095 -2.903 1.00 0.14 O ATOM 1838 CB SER B 28 -15.449 7.242 -2.788 1.00 0.16 C ATOM 1839 OG SER B 28 -14.247 6.866 -3.444 1.00 0.98 O ATOM 0 H SER B 28 -14.595 5.016 -0.819 1.00 0.08 H new ATOM 0 HA SER B 28 -16.989 6.393 -1.569 1.00 0.11 H new ATOM 0 HB2 SER B 28 -16.194 7.529 -3.530 1.00 0.16 H new ATOM 0 HB3 SER B 28 -15.266 8.117 -2.165 1.00 0.16 H new ATOM 0 HG SER B 28 -13.718 6.290 -2.853 1.00 0.98 H new ATOM 1845 N PRO B 29 -17.309 4.542 -3.290 1.00 0.17 N ATOM 1846 CA PRO B 29 -17.546 3.338 -4.094 1.00 0.21 C ATOM 1847 C PRO B 29 -16.796 3.358 -5.427 1.00 0.18 C ATOM 1848 O PRO B 29 -16.827 2.388 -6.177 1.00 0.20 O ATOM 1849 CB PRO B 29 -19.058 3.356 -4.333 1.00 0.30 C ATOM 1850 CG PRO B 29 -19.453 4.783 -4.185 1.00 0.28 C ATOM 1851 CD PRO B 29 -18.523 5.369 -3.159 1.00 0.18 C ATOM 0 HA PRO B 29 -17.190 2.442 -3.586 1.00 0.21 H new ATOM 0 HB2 PRO B 29 -19.305 2.979 -5.325 1.00 0.30 H new ATOM 0 HB3 PRO B 29 -19.579 2.725 -3.613 1.00 0.30 H new ATOM 0 HG2 PRO B 29 -19.368 5.311 -5.135 1.00 0.28 H new ATOM 0 HG3 PRO B 29 -20.491 4.869 -3.864 1.00 0.28 H new ATOM 0 HD2 PRO B 29 -18.317 6.421 -3.357 1.00 0.18 H new ATOM 0 HD3 PRO B 29 -18.943 5.310 -2.155 1.00 0.18 H new ATOM 1859 N ALA B 30 -16.123 4.466 -5.709 1.00 0.18 N ATOM 1860 CA ALA B 30 -15.374 4.613 -6.947 1.00 0.16 C ATOM 1861 C ALA B 30 -13.905 4.242 -6.754 1.00 0.10 C ATOM 1862 O ALA B 30 -13.369 3.398 -7.471 1.00 0.05 O ATOM 1863 CB ALA B 30 -15.496 6.038 -7.467 1.00 0.20 C ATOM 0 H ALA B 30 -16.081 5.278 -5.093 1.00 0.18 H new ATOM 0 HA ALA B 30 -15.798 3.928 -7.682 1.00 0.16 H new ATOM 0 HB1 ALA B 30 -14.931 6.137 -8.394 1.00 0.20 H new ATOM 0 HB2 ALA B 30 -16.545 6.268 -7.655 1.00 0.20 H new ATOM 0 HB3 ALA B 30 -15.099 6.731 -6.725 1.00 0.20 H new ATOM 1869 N HIS B 31 -13.260 4.859 -5.769 1.00 0.15 N ATOM 1870 CA HIS B 31 -11.843 4.612 -5.507 1.00 0.13 C ATOM 1871 C HIS B 31 -11.591 3.181 -5.046 1.00 0.07 C ATOM 1872 O HIS B 31 -10.627 2.549 -5.471 1.00 0.05 O ATOM 1873 CB HIS B 31 -11.301 5.593 -4.465 1.00 0.20 C ATOM 1874 CG HIS B 31 -10.889 6.922 -5.027 1.00 0.38 C ATOM 1875 ND1 HIS B 31 -11.263 7.364 -6.279 1.00 0.76 N ATOM 1876 CD2 HIS B 31 -10.127 7.908 -4.497 1.00 1.42 C ATOM 1877 CE1 HIS B 31 -10.747 8.559 -6.494 1.00 0.48 C ATOM 1878 NE2 HIS B 31 -10.056 8.914 -5.426 1.00 1.22 N ATOM 0 H HIS B 31 -13.694 5.533 -5.139 1.00 0.15 H new ATOM 0 HA HIS B 31 -11.316 4.763 -6.449 1.00 0.13 H new ATOM 0 HB2 HIS B 31 -12.063 5.754 -3.703 1.00 0.20 H new ATOM 0 HB3 HIS B 31 -10.444 5.140 -3.967 1.00 0.20 H new ATOM 0 HD2 HIS B 31 -9.661 7.903 -3.523 1.00 1.42 H new ATOM 0 HE1 HIS B 31 -10.869 9.147 -7.391 1.00 0.48 H new ATOM 0 HE2 HIS B 31 -9.552 9.793 -5.311 1.00 1.22 H new ATOM 1887 N ILE B 32 -12.473 2.665 -4.199 1.00 0.08 N ATOM 1888 CA ILE B 32 -12.324 1.308 -3.668 1.00 0.08 C ATOM 1889 C ILE B 32 -12.498 0.240 -4.753 1.00 0.07 C ATOM 1890 O ILE B 32 -12.255 -0.941 -4.518 1.00 0.14 O ATOM 1891 CB ILE B 32 -13.314 1.031 -2.515 1.00 0.11 C ATOM 1892 CG1 ILE B 32 -14.765 1.030 -3.027 1.00 0.13 C ATOM 1893 CG2 ILE B 32 -13.120 2.060 -1.406 1.00 0.12 C ATOM 1894 CD1 ILE B 32 -15.801 0.741 -1.960 1.00 0.10 C ATOM 0 H ILE B 32 -13.299 3.161 -3.863 1.00 0.08 H new ATOM 0 HA ILE B 32 -11.306 1.248 -3.283 1.00 0.08 H new ATOM 0 HB ILE B 32 -13.111 0.041 -2.107 1.00 0.11 H new ATOM 0 HG12 ILE B 32 -14.981 2.000 -3.474 1.00 0.13 H new ATOM 0 HG13 ILE B 32 -14.858 0.287 -3.819 1.00 0.13 H new ATOM 0 HG21 ILE B 32 -13.821 1.859 -0.596 1.00 0.12 H new ATOM 0 HG22 ILE B 32 -12.100 1.998 -1.027 1.00 0.12 H new ATOM 0 HG23 ILE B 32 -13.300 3.060 -1.802 1.00 0.12 H new ATOM 0 HD11 ILE B 32 -16.796 0.759 -2.405 1.00 0.10 H new ATOM 0 HD12 ILE B 32 -15.614 -0.242 -1.528 1.00 0.10 H new ATOM 0 HD13 ILE B 32 -15.739 1.498 -1.178 1.00 0.10 H new ATOM 1906 N ARG B 33 -12.915 0.657 -5.938 1.00 0.07 N ATOM 1907 CA ARG B 33 -13.096 -0.275 -7.038 1.00 0.05 C ATOM 1908 C ARG B 33 -11.851 -0.330 -7.915 1.00 0.04 C ATOM 1909 O ARG B 33 -11.603 -1.329 -8.586 1.00 0.05 O ATOM 1910 CB ARG B 33 -14.313 0.111 -7.874 1.00 0.07 C ATOM 1911 CG ARG B 33 -15.589 -0.582 -7.427 1.00 0.59 C ATOM 1912 CD ARG B 33 -16.784 -0.161 -8.266 1.00 0.36 C ATOM 1913 NE ARG B 33 -17.953 -0.997 -8.004 1.00 0.42 N ATOM 1914 CZ ARG B 33 -19.105 -0.879 -8.655 1.00 0.84 C ATOM 1915 NH1 ARG B 33 -19.251 0.051 -9.591 1.00 1.03 N1+ ATOM 1916 NH2 ARG B 33 -20.113 -1.690 -8.364 1.00 1.46 N ATOM 0 H ARG B 33 -13.133 1.628 -6.161 1.00 0.07 H new ATOM 0 HA ARG B 33 -13.262 -1.266 -6.615 1.00 0.05 H new ATOM 0 HB2 ARG B 33 -14.455 1.190 -7.820 1.00 0.07 H new ATOM 0 HB3 ARG B 33 -14.121 -0.134 -8.919 1.00 0.07 H new ATOM 0 HG2 ARG B 33 -15.459 -1.662 -7.496 1.00 0.59 H new ATOM 0 HG3 ARG B 33 -15.781 -0.350 -6.379 1.00 0.59 H new ATOM 0 HD2 ARG B 33 -17.027 0.880 -8.055 1.00 0.36 H new ATOM 0 HD3 ARG B 33 -16.525 -0.220 -9.323 1.00 0.36 H new ATOM 0 HE ARG B 33 -17.881 -1.712 -7.280 1.00 0.42 H new ATOM 0 HH11 ARG B 33 -18.477 0.678 -9.812 1.00 1.03 H new ATOM 0 HH12 ARG B 33 -20.137 0.139 -10.089 1.00 1.03 H new ATOM 0 HH21 ARG B 33 -20.003 -2.402 -7.642 1.00 1.46 H new ATOM 0 HH22 ARG B 33 -20.999 -1.602 -8.862 1.00 1.46 H new ATOM 1930 N LEU B 34 -11.058 0.735 -7.895 1.00 0.06 N ATOM 1931 CA LEU B 34 -9.847 0.780 -8.706 1.00 0.09 C ATOM 1932 C LEU B 34 -8.639 0.268 -7.928 1.00 0.08 C ATOM 1933 O LEU B 34 -7.650 -0.163 -8.524 1.00 0.12 O ATOM 1934 CB LEU B 34 -9.584 2.198 -9.251 1.00 0.12 C ATOM 1935 CG LEU B 34 -9.282 3.288 -8.214 1.00 0.10 C ATOM 1936 CD1 LEU B 34 -7.788 3.380 -7.925 1.00 0.09 C ATOM 1937 CD2 LEU B 34 -9.804 4.631 -8.701 1.00 0.14 C ATOM 0 H LEU B 34 -11.228 1.569 -7.334 1.00 0.06 H new ATOM 0 HA LEU B 34 -10.005 0.119 -9.558 1.00 0.09 H new ATOM 0 HB2 LEU B 34 -8.745 2.146 -9.945 1.00 0.12 H new ATOM 0 HB3 LEU B 34 -10.455 2.508 -9.827 1.00 0.12 H new ATOM 0 HG LEU B 34 -9.788 3.020 -7.287 1.00 0.10 H new ATOM 0 HD11 LEU B 34 -7.608 4.161 -7.187 1.00 0.09 H new ATOM 0 HD12 LEU B 34 -7.433 2.425 -7.537 1.00 0.09 H new ATOM 0 HD13 LEU B 34 -7.254 3.619 -8.844 1.00 0.09 H new ATOM 0 HD21 LEU B 34 -9.585 5.398 -7.958 1.00 0.14 H new ATOM 0 HD22 LEU B 34 -9.320 4.890 -9.643 1.00 0.14 H new ATOM 0 HD23 LEU B 34 -10.882 4.570 -8.852 1.00 0.14 H new ATOM 1949 N VAL B 35 -8.723 0.300 -6.598 1.00 0.05 N ATOM 1950 CA VAL B 35 -7.620 -0.159 -5.752 1.00 0.08 C ATOM 1951 C VAL B 35 -7.350 -1.649 -5.955 1.00 0.08 C ATOM 1952 O VAL B 35 -6.214 -2.106 -5.843 1.00 0.11 O ATOM 1953 CB VAL B 35 -7.876 0.118 -4.252 1.00 0.09 C ATOM 1954 CG1 VAL B 35 -7.936 1.614 -3.989 1.00 0.14 C ATOM 1955 CG2 VAL B 35 -9.148 -0.567 -3.771 1.00 0.09 C ATOM 0 H VAL B 35 -9.538 0.637 -6.085 1.00 0.05 H new ATOM 0 HA VAL B 35 -6.743 0.411 -6.058 1.00 0.08 H new ATOM 0 HB VAL B 35 -7.043 -0.299 -3.687 1.00 0.09 H new ATOM 0 HG11 VAL B 35 -8.117 1.790 -2.929 1.00 0.14 H new ATOM 0 HG12 VAL B 35 -6.990 2.072 -4.277 1.00 0.14 H new ATOM 0 HG13 VAL B 35 -8.745 2.054 -4.573 1.00 0.14 H new ATOM 0 HG21 VAL B 35 -9.299 -0.352 -2.713 1.00 0.09 H new ATOM 0 HG22 VAL B 35 -9.999 -0.196 -4.342 1.00 0.09 H new ATOM 0 HG23 VAL B 35 -9.058 -1.644 -3.913 1.00 0.09 H new ATOM 1965 N ALA B 36 -8.402 -2.393 -6.280 1.00 0.07 N ATOM 1966 CA ALA B 36 -8.284 -3.827 -6.509 1.00 0.07 C ATOM 1967 C ALA B 36 -7.403 -4.104 -7.717 1.00 0.09 C ATOM 1968 O ALA B 36 -6.443 -4.870 -7.638 1.00 0.09 O ATOM 1969 CB ALA B 36 -9.660 -4.439 -6.711 1.00 0.08 C ATOM 0 H ALA B 36 -9.347 -2.025 -6.391 1.00 0.07 H new ATOM 0 HA ALA B 36 -7.821 -4.281 -5.633 1.00 0.07 H new ATOM 0 HB1 ALA B 36 -9.560 -5.511 -6.881 1.00 0.08 H new ATOM 0 HB2 ALA B 36 -10.268 -4.268 -5.823 1.00 0.08 H new ATOM 0 HB3 ALA B 36 -10.140 -3.978 -7.574 1.00 0.08 H new ATOM 1975 N ALA B 37 -7.722 -3.451 -8.826 1.00 0.12 N ATOM 1976 CA ALA B 37 -6.966 -3.619 -10.059 1.00 0.15 C ATOM 1977 C ALA B 37 -5.562 -3.034 -9.926 1.00 0.17 C ATOM 1978 O ALA B 37 -4.637 -3.439 -10.634 1.00 0.19 O ATOM 1979 CB ALA B 37 -7.704 -2.977 -11.223 1.00 0.21 C ATOM 0 H ALA B 37 -8.502 -2.798 -8.897 1.00 0.12 H new ATOM 0 HA ALA B 37 -6.867 -4.687 -10.254 1.00 0.15 H new ATOM 0 HB1 ALA B 37 -7.127 -3.111 -12.138 1.00 0.21 H new ATOM 0 HB2 ALA B 37 -8.681 -3.447 -11.338 1.00 0.21 H new ATOM 0 HB3 ALA B 37 -7.834 -1.912 -11.028 1.00 0.21 H new ATOM 1985 N PHE B 38 -5.413 -2.080 -9.011 1.00 0.16 N ATOM 1986 CA PHE B 38 -4.129 -1.436 -8.762 1.00 0.18 C ATOM 1987 C PHE B 38 -3.130 -2.454 -8.217 1.00 0.15 C ATOM 1988 O PHE B 38 -1.997 -2.553 -8.686 1.00 0.16 O ATOM 1989 CB PHE B 38 -4.310 -0.286 -7.765 1.00 0.23 C ATOM 1990 CG PHE B 38 -3.092 0.582 -7.588 1.00 0.20 C ATOM 1991 CD1 PHE B 38 -2.095 0.233 -6.690 1.00 0.37 C ATOM 1992 CD2 PHE B 38 -2.951 1.748 -8.320 1.00 0.28 C ATOM 1993 CE1 PHE B 38 -0.978 1.031 -6.528 1.00 0.36 C ATOM 1994 CE2 PHE B 38 -1.836 2.551 -8.162 1.00 0.27 C ATOM 1995 CZ PHE B 38 -0.850 2.191 -7.266 1.00 0.14 C ATOM 0 H PHE B 38 -6.174 -1.734 -8.426 1.00 0.16 H new ATOM 0 HA PHE B 38 -3.743 -1.035 -9.699 1.00 0.18 H new ATOM 0 HB2 PHE B 38 -5.141 0.338 -8.095 1.00 0.23 H new ATOM 0 HB3 PHE B 38 -4.589 -0.701 -6.797 1.00 0.23 H new ATOM 0 HD1 PHE B 38 -2.192 -0.673 -6.110 1.00 0.37 H new ATOM 0 HD2 PHE B 38 -3.720 2.034 -9.022 1.00 0.28 H new ATOM 0 HE1 PHE B 38 -0.208 0.748 -5.826 1.00 0.36 H new ATOM 0 HE2 PHE B 38 -1.737 3.459 -8.739 1.00 0.27 H new ATOM 0 HZ PHE B 38 0.022 2.817 -7.142 1.00 0.14 H new ATOM 2005 N VAL B 39 -3.573 -3.217 -7.228 1.00 0.14 N ATOM 2006 CA VAL B 39 -2.733 -4.230 -6.605 1.00 0.14 C ATOM 2007 C VAL B 39 -2.611 -5.464 -7.496 1.00 0.14 C ATOM 2008 O VAL B 39 -1.546 -6.079 -7.579 1.00 0.19 O ATOM 2009 CB VAL B 39 -3.288 -4.636 -5.226 1.00 0.15 C ATOM 2010 CG1 VAL B 39 -2.433 -5.722 -4.588 1.00 0.15 C ATOM 2011 CG2 VAL B 39 -3.380 -3.418 -4.322 1.00 0.22 C ATOM 0 H VAL B 39 -4.513 -3.153 -6.838 1.00 0.14 H new ATOM 0 HA VAL B 39 -1.742 -3.796 -6.470 1.00 0.14 H new ATOM 0 HB VAL B 39 -4.289 -5.045 -5.364 1.00 0.15 H new ATOM 0 HG11 VAL B 39 -2.849 -5.988 -3.616 1.00 0.15 H new ATOM 0 HG12 VAL B 39 -2.422 -6.602 -5.232 1.00 0.15 H new ATOM 0 HG13 VAL B 39 -1.415 -5.355 -4.459 1.00 0.15 H new ATOM 0 HG21 VAL B 39 -3.773 -3.715 -3.350 1.00 0.22 H new ATOM 0 HG22 VAL B 39 -2.388 -2.984 -4.195 1.00 0.22 H new ATOM 0 HG23 VAL B 39 -4.044 -2.680 -4.772 1.00 0.22 H new ATOM 2021 N ASP B 40 -3.702 -5.804 -8.175 1.00 0.14 N ATOM 2022 CA ASP B 40 -3.734 -6.962 -9.067 1.00 0.21 C ATOM 2023 C ASP B 40 -2.627 -6.879 -10.115 1.00 0.27 C ATOM 2024 O ASP B 40 -1.899 -7.847 -10.353 1.00 0.34 O ATOM 2025 CB ASP B 40 -5.092 -7.044 -9.763 1.00 0.21 C ATOM 2026 CG ASP B 40 -5.220 -8.252 -10.665 1.00 0.33 C ATOM 2027 OD1 ASP B 40 -4.805 -8.165 -11.842 1.00 0.47 O ATOM 2028 OD2 ASP B 40 -5.748 -9.285 -10.207 1.00 0.32 O1- ATOM 0 H ASP B 40 -4.582 -5.291 -8.125 1.00 0.14 H new ATOM 0 HA ASP B 40 -3.574 -7.857 -8.466 1.00 0.21 H new ATOM 0 HB2 ASP B 40 -5.879 -7.074 -9.010 1.00 0.21 H new ATOM 0 HB3 ASP B 40 -5.248 -6.140 -10.351 1.00 0.21 H new ATOM 2033 N ASP B 41 -2.497 -5.707 -10.720 1.00 0.28 N ATOM 2034 CA ASP B 41 -1.488 -5.475 -11.747 1.00 0.37 C ATOM 2035 C ASP B 41 -0.080 -5.592 -11.175 1.00 0.32 C ATOM 2036 O ASP B 41 0.802 -6.189 -11.791 1.00 0.32 O ATOM 2037 CB ASP B 41 -1.682 -4.095 -12.380 1.00 0.46 C ATOM 2038 CG ASP B 41 -0.817 -3.894 -13.609 1.00 0.78 C ATOM 2039 OD1 ASP B 41 -0.794 -4.789 -14.478 1.00 1.11 O1- ATOM 2040 OD2 ASP B 41 -0.173 -2.829 -13.726 1.00 0.92 O ATOM 0 H ASP B 41 -3.081 -4.896 -10.516 1.00 0.28 H new ATOM 0 HA ASP B 41 -1.609 -6.241 -12.513 1.00 0.37 H new ATOM 0 HB2 ASP B 41 -2.730 -3.968 -12.652 1.00 0.46 H new ATOM 0 HB3 ASP B 41 -1.448 -3.325 -11.645 1.00 0.46 H new ATOM 2045 N LYS B 42 0.123 -5.040 -9.982 1.00 0.28 N ATOM 2046 CA LYS B 42 1.432 -5.081 -9.333 1.00 0.24 C ATOM 2047 C LYS B 42 1.854 -6.513 -9.019 1.00 0.20 C ATOM 2048 O LYS B 42 3.020 -6.873 -9.173 1.00 0.18 O ATOM 2049 CB LYS B 42 1.430 -4.236 -8.061 1.00 0.24 C ATOM 2050 CG LYS B 42 1.429 -2.739 -8.329 1.00 0.21 C ATOM 2051 CD LYS B 42 1.806 -1.946 -7.087 1.00 0.40 C ATOM 2052 CE LYS B 42 3.303 -1.998 -6.817 1.00 0.55 C ATOM 2053 NZ LYS B 42 4.089 -1.272 -7.850 1.00 0.48 N1+ ATOM 0 H LYS B 42 -0.599 -4.560 -9.445 1.00 0.28 H new ATOM 0 HA LYS B 42 2.158 -4.663 -10.030 1.00 0.24 H new ATOM 0 HB2 LYS B 42 0.553 -4.491 -7.466 1.00 0.24 H new ATOM 0 HB3 LYS B 42 2.306 -4.490 -7.464 1.00 0.24 H new ATOM 0 HG2 LYS B 42 2.130 -2.512 -9.132 1.00 0.21 H new ATOM 0 HG3 LYS B 42 0.441 -2.431 -8.672 1.00 0.21 H new ATOM 0 HD2 LYS B 42 1.494 -0.909 -7.209 1.00 0.40 H new ATOM 0 HD3 LYS B 42 1.267 -2.341 -6.226 1.00 0.40 H new ATOM 0 HE2 LYS B 42 3.508 -1.566 -5.837 1.00 0.55 H new ATOM 0 HE3 LYS B 42 3.627 -3.038 -6.781 1.00 0.55 H new ATOM 0 HZ1 LYS B 42 4.941 -0.864 -7.415 1.00 0.48 H new ATOM 0 HZ2 LYS B 42 4.368 -1.933 -8.602 1.00 0.48 H new ATOM 0 HZ3 LYS B 42 3.509 -0.510 -8.256 1.00 0.48 H new ATOM 2067 N MET B 43 0.906 -7.337 -8.590 1.00 0.21 N ATOM 2068 CA MET B 43 1.204 -8.733 -8.278 1.00 0.19 C ATOM 2069 C MET B 43 1.581 -9.487 -9.547 1.00 0.17 C ATOM 2070 O MET B 43 2.253 -10.516 -9.498 1.00 0.18 O ATOM 2071 CB MET B 43 0.019 -9.416 -7.593 1.00 0.24 C ATOM 2072 CG MET B 43 0.213 -9.590 -6.095 1.00 0.25 C ATOM 2073 SD MET B 43 -1.050 -10.635 -5.346 1.00 0.31 S ATOM 2074 CE MET B 43 -2.490 -9.585 -5.501 1.00 0.24 C ATOM 0 H MET B 43 -0.068 -7.068 -8.450 1.00 0.21 H new ATOM 0 HA MET B 43 2.047 -8.749 -7.588 1.00 0.19 H new ATOM 0 HB2 MET B 43 -0.882 -8.830 -7.771 1.00 0.24 H new ATOM 0 HB3 MET B 43 -0.142 -10.393 -8.048 1.00 0.24 H new ATOM 0 HG2 MET B 43 1.195 -10.024 -5.908 1.00 0.25 H new ATOM 0 HG3 MET B 43 0.200 -8.611 -5.615 1.00 0.25 H new ATOM 0 HE1 MET B 43 -3.376 -10.133 -5.179 1.00 0.24 H new ATOM 0 HE2 MET B 43 -2.364 -8.700 -4.877 1.00 0.24 H new ATOM 0 HE3 MET B 43 -2.609 -9.282 -6.541 1.00 0.24 H new ATOM 2084 N HIS B 44 1.146 -8.964 -10.683 1.00 0.16 N ATOM 2085 CA HIS B 44 1.456 -9.571 -11.967 1.00 0.19 C ATOM 2086 C HIS B 44 2.791 -9.042 -12.493 1.00 0.25 C ATOM 2087 O HIS B 44 3.529 -9.754 -13.173 1.00 0.61 O ATOM 2088 CB HIS B 44 0.339 -9.295 -12.982 1.00 0.26 C ATOM 2089 CG HIS B 44 -0.852 -10.204 -12.839 1.00 0.47 C ATOM 2090 ND1 HIS B 44 -2.142 -9.744 -12.669 1.00 0.54 N ATOM 2091 CD2 HIS B 44 -0.941 -11.556 -12.852 1.00 1.09 C ATOM 2092 CE1 HIS B 44 -2.969 -10.770 -12.582 1.00 1.18 C ATOM 2093 NE2 HIS B 44 -2.265 -11.881 -12.688 1.00 1.53 N ATOM 0 H HIS B 44 0.577 -8.120 -10.741 1.00 0.16 H new ATOM 0 HA HIS B 44 1.534 -10.649 -11.827 1.00 0.19 H new ATOM 0 HB2 HIS B 44 0.010 -8.261 -12.874 1.00 0.26 H new ATOM 0 HB3 HIS B 44 0.743 -9.397 -13.989 1.00 0.26 H new ATOM 0 HD2 HIS B 44 -0.122 -12.250 -12.970 1.00 1.09 H new ATOM 0 HE1 HIS B 44 -4.039 -10.710 -12.447 1.00 1.18 H new ATOM 0 HE2 HIS B 44 -2.643 -12.828 -12.654 1.00 1.53 H new ATOM 2102 N GLU B 45 3.101 -7.793 -12.153 1.00 0.14 N ATOM 2103 CA GLU B 45 4.342 -7.159 -12.592 1.00 0.11 C ATOM 2104 C GLU B 45 5.538 -7.683 -11.796 1.00 0.07 C ATOM 2105 O GLU B 45 6.670 -7.675 -12.284 1.00 0.03 O ATOM 2106 CB GLU B 45 4.242 -5.628 -12.452 1.00 0.10 C ATOM 2107 CG GLU B 45 4.671 -5.097 -11.081 1.00 0.07 C ATOM 2108 CD GLU B 45 4.431 -3.610 -10.901 1.00 0.22 C ATOM 2109 OE1 GLU B 45 4.068 -2.928 -11.883 1.00 0.49 O ATOM 2110 OE2 GLU B 45 4.608 -3.112 -9.769 1.00 0.43 O1- ATOM 0 H GLU B 45 2.508 -7.199 -11.573 1.00 0.14 H new ATOM 0 HA GLU B 45 4.494 -7.409 -13.642 1.00 0.11 H new ATOM 0 HB2 GLU B 45 4.860 -5.162 -13.220 1.00 0.10 H new ATOM 0 HB3 GLU B 45 3.213 -5.323 -12.642 1.00 0.10 H new ATOM 0 HG2 GLU B 45 4.131 -5.640 -10.306 1.00 0.07 H new ATOM 0 HG3 GLU B 45 5.731 -5.305 -10.936 1.00 0.07 H new ATOM 2117 N PHE B 46 5.291 -8.134 -10.570 1.00 0.11 N ATOM 2118 CA PHE B 46 6.363 -8.648 -9.728 1.00 0.10 C ATOM 2119 C PHE B 46 6.494 -10.161 -9.853 1.00 0.10 C ATOM 2120 O PHE B 46 7.518 -10.732 -9.477 1.00 0.11 O ATOM 2121 CB PHE B 46 6.143 -8.245 -8.270 1.00 0.11 C ATOM 2122 CG PHE B 46 6.796 -6.939 -7.915 1.00 0.13 C ATOM 2123 CD1 PHE B 46 8.166 -6.869 -7.717 1.00 0.14 C ATOM 2124 CD2 PHE B 46 6.046 -5.783 -7.787 1.00 0.16 C ATOM 2125 CE1 PHE B 46 8.772 -5.672 -7.394 1.00 0.14 C ATOM 2126 CE2 PHE B 46 6.647 -4.583 -7.464 1.00 0.17 C ATOM 2127 CZ PHE B 46 8.012 -4.528 -7.269 1.00 0.15 C ATOM 0 H PHE B 46 4.366 -8.154 -10.141 1.00 0.11 H new ATOM 0 HA PHE B 46 7.297 -8.205 -10.074 1.00 0.10 H new ATOM 0 HB2 PHE B 46 5.073 -8.174 -8.076 1.00 0.11 H new ATOM 0 HB3 PHE B 46 6.533 -9.028 -7.620 1.00 0.11 H new ATOM 0 HD1 PHE B 46 8.766 -7.761 -7.817 1.00 0.14 H new ATOM 0 HD2 PHE B 46 4.978 -5.820 -7.942 1.00 0.16 H new ATOM 0 HE1 PHE B 46 9.840 -5.631 -7.239 1.00 0.14 H new ATOM 0 HE2 PHE B 46 6.050 -3.689 -7.364 1.00 0.17 H new ATOM 0 HZ PHE B 46 8.485 -3.590 -7.019 1.00 0.15 H new ATOM 2137 N SER B 47 5.459 -10.807 -10.377 1.00 0.09 N ATOM 2138 CA SER B 47 5.472 -12.255 -10.567 1.00 0.10 C ATOM 2139 C SER B 47 6.632 -12.656 -11.476 1.00 0.09 C ATOM 2140 O SER B 47 7.363 -13.609 -11.194 1.00 0.13 O ATOM 2141 CB SER B 47 4.135 -12.724 -11.159 1.00 0.13 C ATOM 2142 OG SER B 47 4.049 -14.139 -11.196 1.00 0.49 O ATOM 0 H SER B 47 4.598 -10.351 -10.679 1.00 0.09 H new ATOM 0 HA SER B 47 5.609 -12.737 -9.599 1.00 0.10 H new ATOM 0 HB2 SER B 47 3.313 -12.324 -10.565 1.00 0.13 H new ATOM 0 HB3 SER B 47 4.023 -12.325 -12.167 1.00 0.13 H new ATOM 0 HG SER B 47 3.186 -14.404 -11.577 1.00 0.49 H new ATOM 2148 N GLU B 48 6.814 -11.887 -12.541 1.00 0.13 N ATOM 2149 CA GLU B 48 7.876 -12.133 -13.510 1.00 0.12 C ATOM 2150 C GLU B 48 9.264 -11.871 -12.915 1.00 0.09 C ATOM 2151 O GLU B 48 10.279 -12.266 -13.488 1.00 0.07 O ATOM 2152 CB GLU B 48 7.669 -11.256 -14.750 1.00 0.15 C ATOM 2153 CG GLU B 48 7.723 -9.762 -14.460 1.00 0.17 C ATOM 2154 CD GLU B 48 7.770 -8.925 -15.713 1.00 0.71 C ATOM 2155 OE1 GLU B 48 8.875 -8.734 -16.261 1.00 0.76 O1- ATOM 2156 OE2 GLU B 48 6.704 -8.445 -16.153 1.00 1.67 O ATOM 0 H GLU B 48 6.232 -11.078 -12.758 1.00 0.13 H new ATOM 0 HA GLU B 48 7.827 -13.185 -13.791 1.00 0.12 H new ATOM 0 HB2 GLU B 48 8.432 -11.501 -15.489 1.00 0.15 H new ATOM 0 HB3 GLU B 48 6.704 -11.496 -15.196 1.00 0.15 H new ATOM 0 HG2 GLU B 48 6.850 -9.479 -13.872 1.00 0.17 H new ATOM 0 HG3 GLU B 48 8.601 -9.546 -13.851 1.00 0.17 H new ATOM 2163 N LYS B 49 9.305 -11.206 -11.764 1.00 0.10 N ATOM 2164 CA LYS B 49 10.571 -10.893 -11.109 1.00 0.10 C ATOM 2165 C LYS B 49 11.141 -12.119 -10.412 1.00 0.15 C ATOM 2166 O LYS B 49 12.360 -12.248 -10.277 1.00 0.23 O ATOM 2167 CB LYS B 49 10.393 -9.760 -10.093 1.00 0.09 C ATOM 2168 CG LYS B 49 10.498 -8.357 -10.682 1.00 0.12 C ATOM 2169 CD LYS B 49 11.878 -8.047 -11.262 1.00 0.05 C ATOM 2170 CE LYS B 49 13.002 -8.335 -10.275 1.00 1.11 C ATOM 2171 NZ LYS B 49 14.284 -7.719 -10.702 1.00 1.14 N1+ ATOM 0 H LYS B 49 8.478 -10.874 -11.267 1.00 0.10 H new ATOM 0 HA LYS B 49 11.270 -10.570 -11.881 1.00 0.10 H new ATOM 0 HB2 LYS B 49 9.419 -9.867 -9.616 1.00 0.09 H new ATOM 0 HB3 LYS B 49 11.145 -9.869 -9.311 1.00 0.09 H new ATOM 0 HG2 LYS B 49 9.748 -8.242 -11.465 1.00 0.12 H new ATOM 0 HG3 LYS B 49 10.265 -7.627 -9.907 1.00 0.12 H new ATOM 0 HD2 LYS B 49 12.031 -8.639 -12.165 1.00 0.05 H new ATOM 0 HD3 LYS B 49 11.918 -6.999 -11.557 1.00 0.05 H new ATOM 0 HE2 LYS B 49 12.727 -7.956 -9.291 1.00 1.11 H new ATOM 0 HE3 LYS B 49 13.132 -9.413 -10.177 1.00 1.11 H new ATOM 0 HZ1 LYS B 49 15.024 -7.938 -10.004 1.00 1.14 H new ATOM 0 HZ2 LYS B 49 14.560 -8.099 -11.630 1.00 1.14 H new ATOM 0 HZ3 LYS B 49 14.168 -6.688 -10.771 1.00 1.14 H new ATOM 2185 N GLN B 50 10.247 -13.003 -9.969 1.00 0.20 N ATOM 2186 CA GLN B 50 10.629 -14.239 -9.284 1.00 0.30 C ATOM 2187 C GLN B 50 11.578 -13.973 -8.112 1.00 0.13 C ATOM 2188 O GLN B 50 12.794 -14.130 -8.237 1.00 0.29 O ATOM 2189 CB GLN B 50 11.273 -15.206 -10.280 1.00 0.53 C ATOM 2190 CG GLN B 50 10.352 -15.588 -11.425 1.00 1.05 C ATOM 2191 CD GLN B 50 11.106 -16.076 -12.643 1.00 1.30 C ATOM 2192 OE1 GLN B 50 12.237 -15.660 -12.903 1.00 1.37 O ATOM 2193 NE2 GLN B 50 10.486 -16.965 -13.395 1.00 1.60 N ATOM 0 H GLN B 50 9.240 -12.883 -10.074 1.00 0.20 H new ATOM 0 HA GLN B 50 9.724 -14.687 -8.874 1.00 0.30 H new ATOM 0 HB2 GLN B 50 12.177 -14.751 -10.686 1.00 0.53 H new ATOM 0 HB3 GLN B 50 11.580 -16.109 -9.753 1.00 0.53 H new ATOM 0 HG2 GLN B 50 9.667 -16.367 -11.090 1.00 1.05 H new ATOM 0 HG3 GLN B 50 9.744 -14.726 -11.700 1.00 1.05 H new ATOM 0 HE21 GLN B 50 9.550 -17.282 -13.143 1.00 1.60 H new ATOM 0 HE22 GLN B 50 10.943 -17.335 -14.228 1.00 1.60 H new ATOM 2202 N PRO B 51 11.039 -13.546 -6.961 1.00 0.16 N ATOM 2203 CA PRO B 51 11.842 -13.269 -5.773 1.00 0.27 C ATOM 2204 C PRO B 51 12.236 -14.549 -5.042 1.00 0.20 C ATOM 2205 O PRO B 51 13.383 -14.986 -5.109 1.00 0.19 O ATOM 2206 CB PRO B 51 10.921 -12.409 -4.891 1.00 0.48 C ATOM 2207 CG PRO B 51 9.676 -12.181 -5.691 1.00 0.51 C ATOM 2208 CD PRO B 51 9.621 -13.271 -6.724 1.00 0.41 C ATOM 0 HA PRO B 51 12.780 -12.774 -6.025 1.00 0.27 H new ATOM 0 HB2 PRO B 51 10.694 -12.916 -3.953 1.00 0.48 H new ATOM 0 HB3 PRO B 51 11.398 -11.463 -4.635 1.00 0.48 H new ATOM 0 HG2 PRO B 51 8.794 -12.209 -5.051 1.00 0.51 H new ATOM 0 HG3 PRO B 51 9.695 -11.199 -6.165 1.00 0.51 H new ATOM 0 HD2 PRO B 51 9.091 -14.151 -6.359 1.00 0.41 H new ATOM 0 HD3 PRO B 51 9.112 -12.946 -7.632 1.00 0.41 H new ATOM 2216 N MET B 52 11.269 -15.152 -4.360 1.00 0.17 N ATOM 2217 CA MET B 52 11.510 -16.383 -3.615 1.00 0.11 C ATOM 2218 C MET B 52 10.858 -17.560 -4.323 1.00 0.09 C ATOM 2219 O MET B 52 10.832 -18.675 -3.802 1.00 0.08 O ATOM 2220 CB MET B 52 10.958 -16.280 -2.187 1.00 0.12 C ATOM 2221 CG MET B 52 11.209 -14.937 -1.520 1.00 0.18 C ATOM 2222 SD MET B 52 12.943 -14.456 -1.551 1.00 0.26 S ATOM 2223 CE MET B 52 12.822 -12.752 -1.027 1.00 0.43 C ATOM 0 H MET B 52 10.310 -14.809 -4.307 1.00 0.17 H new ATOM 0 HA MET B 52 12.588 -16.538 -3.563 1.00 0.11 H new ATOM 0 HB2 MET B 52 9.884 -16.467 -2.210 1.00 0.12 H new ATOM 0 HB3 MET B 52 11.406 -17.065 -1.578 1.00 0.12 H new ATOM 0 HG2 MET B 52 10.615 -14.172 -2.020 1.00 0.18 H new ATOM 0 HG3 MET B 52 10.867 -14.981 -0.486 1.00 0.18 H new ATOM 0 HE1 MET B 52 13.822 -12.336 -0.909 1.00 0.43 H new ATOM 0 HE2 MET B 52 12.276 -12.179 -1.776 1.00 0.43 H new ATOM 0 HE3 MET B 52 12.293 -12.701 -0.075 1.00 0.43 H new ATOM 2233 N LEU B 53 10.332 -17.292 -5.518 1.00 0.10 N ATOM 2234 CA LEU B 53 9.658 -18.307 -6.330 1.00 0.11 C ATOM 2235 C LEU B 53 8.507 -18.945 -5.553 1.00 0.08 C ATOM 2236 O LEU B 53 8.421 -20.167 -5.436 1.00 0.10 O ATOM 2237 CB LEU B 53 10.647 -19.382 -6.805 1.00 0.19 C ATOM 2238 CG LEU B 53 11.459 -19.029 -8.055 1.00 0.25 C ATOM 2239 CD1 LEU B 53 12.597 -18.078 -7.715 1.00 0.62 C ATOM 2240 CD2 LEU B 53 12.000 -20.294 -8.703 1.00 1.07 C ATOM 0 H LEU B 53 10.360 -16.368 -5.950 1.00 0.10 H new ATOM 0 HA LEU B 53 9.248 -17.812 -7.210 1.00 0.11 H new ATOM 0 HB2 LEU B 53 11.340 -19.597 -5.992 1.00 0.19 H new ATOM 0 HB3 LEU B 53 10.092 -20.299 -7.001 1.00 0.19 H new ATOM 0 HG LEU B 53 10.799 -18.526 -8.761 1.00 0.25 H new ATOM 0 HD11 LEU B 53 13.158 -17.843 -8.620 1.00 0.62 H new ATOM 0 HD12 LEU B 53 12.190 -17.160 -7.292 1.00 0.62 H new ATOM 0 HD13 LEU B 53 13.260 -18.549 -6.989 1.00 0.62 H new ATOM 0 HD21 LEU B 53 12.575 -20.031 -9.590 1.00 1.07 H new ATOM 0 HD22 LEU B 53 12.643 -20.819 -7.996 1.00 1.07 H new ATOM 0 HD23 LEU B 53 11.170 -20.941 -8.987 1.00 1.07 H new ATOM 2252 N ASP B 54 7.634 -18.103 -5.010 1.00 0.09 N ATOM 2253 CA ASP B 54 6.487 -18.573 -4.242 1.00 0.12 C ATOM 2254 C ASP B 54 5.408 -17.498 -4.201 1.00 0.10 C ATOM 2255 O ASP B 54 5.715 -16.308 -4.114 1.00 0.18 O ATOM 2256 CB ASP B 54 6.911 -18.943 -2.820 1.00 0.19 C ATOM 2257 CG ASP B 54 5.947 -19.907 -2.158 1.00 0.24 C ATOM 2258 OD1 ASP B 54 4.987 -20.349 -2.821 1.00 0.26 O ATOM 2259 OD2 ASP B 54 6.147 -20.233 -0.970 1.00 0.28 O1- ATOM 0 H ASP B 54 7.700 -17.088 -5.088 1.00 0.09 H new ATOM 0 HA ASP B 54 6.085 -19.462 -4.728 1.00 0.12 H new ATOM 0 HB2 ASP B 54 7.905 -19.389 -2.845 1.00 0.19 H new ATOM 0 HB3 ASP B 54 6.983 -18.037 -2.219 1.00 0.19 H new ATOM 2264 N VAL B 55 4.152 -17.925 -4.267 1.00 0.11 N ATOM 2265 CA VAL B 55 3.013 -17.006 -4.259 1.00 0.12 C ATOM 2266 C VAL B 55 2.922 -16.189 -2.956 1.00 0.08 C ATOM 2267 O VAL B 55 2.896 -14.960 -3.016 1.00 0.04 O ATOM 2268 CB VAL B 55 1.679 -17.750 -4.513 1.00 0.17 C ATOM 2269 CG1 VAL B 55 0.493 -16.799 -4.410 1.00 0.08 C ATOM 2270 CG2 VAL B 55 1.703 -18.420 -5.879 1.00 0.32 C ATOM 0 H VAL B 55 3.893 -18.910 -4.327 1.00 0.11 H new ATOM 0 HA VAL B 55 3.185 -16.307 -5.077 1.00 0.12 H new ATOM 0 HB VAL B 55 1.565 -18.516 -3.745 1.00 0.17 H new ATOM 0 HG11 VAL B 55 -0.431 -17.348 -4.593 1.00 0.08 H new ATOM 0 HG12 VAL B 55 0.463 -16.361 -3.412 1.00 0.08 H new ATOM 0 HG13 VAL B 55 0.597 -16.006 -5.151 1.00 0.08 H new ATOM 0 HG21 VAL B 55 0.760 -18.940 -6.046 1.00 0.32 H new ATOM 0 HG22 VAL B 55 1.843 -17.665 -6.652 1.00 0.32 H new ATOM 0 HG23 VAL B 55 2.524 -19.136 -5.919 1.00 0.32 H new ATOM 2280 N PRO B 56 2.873 -16.828 -1.761 1.00 0.10 N ATOM 2281 CA PRO B 56 2.786 -16.092 -0.492 1.00 0.10 C ATOM 2282 C PRO B 56 3.963 -15.139 -0.287 1.00 0.07 C ATOM 2283 O PRO B 56 3.826 -14.100 0.355 1.00 0.14 O ATOM 2284 CB PRO B 56 2.792 -17.189 0.582 1.00 0.14 C ATOM 2285 CG PRO B 56 3.290 -18.412 -0.106 1.00 0.15 C ATOM 2286 CD PRO B 56 2.867 -18.285 -1.539 1.00 0.14 C ATOM 0 HA PRO B 56 1.898 -15.461 -0.460 1.00 0.10 H new ATOM 0 HB2 PRO B 56 3.437 -16.918 1.417 1.00 0.14 H new ATOM 0 HB3 PRO B 56 1.793 -17.346 0.989 1.00 0.14 H new ATOM 0 HG2 PRO B 56 4.374 -18.490 -0.025 1.00 0.15 H new ATOM 0 HG3 PRO B 56 2.871 -19.311 0.346 1.00 0.15 H new ATOM 0 HD2 PRO B 56 3.556 -18.798 -2.210 1.00 0.14 H new ATOM 0 HD3 PRO B 56 1.879 -18.714 -1.707 1.00 0.14 H new ATOM 2294 N LYS B 57 5.109 -15.490 -0.855 1.00 0.09 N ATOM 2295 CA LYS B 57 6.308 -14.669 -0.733 1.00 0.06 C ATOM 2296 C LYS B 57 6.316 -13.563 -1.789 1.00 0.07 C ATOM 2297 O LYS B 57 7.223 -12.733 -1.826 1.00 0.12 O ATOM 2298 CB LYS B 57 7.570 -15.533 -0.864 1.00 0.12 C ATOM 2299 CG LYS B 57 7.630 -16.719 0.097 1.00 0.17 C ATOM 2300 CD LYS B 57 7.747 -16.298 1.559 1.00 0.47 C ATOM 2301 CE LYS B 57 9.139 -15.791 1.911 1.00 0.23 C ATOM 2302 NZ LYS B 57 10.163 -16.869 1.883 1.00 0.62 N1+ ATOM 0 H LYS B 57 5.234 -16.339 -1.406 1.00 0.09 H new ATOM 0 HA LYS B 57 6.302 -14.207 0.254 1.00 0.06 H new ATOM 0 HB2 LYS B 57 7.635 -15.906 -1.886 1.00 0.12 H new ATOM 0 HB3 LYS B 57 8.444 -14.904 -0.699 1.00 0.12 H new ATOM 0 HG2 LYS B 57 6.734 -17.327 -0.029 1.00 0.17 H new ATOM 0 HG3 LYS B 57 8.482 -17.348 -0.163 1.00 0.17 H new ATOM 0 HD2 LYS B 57 7.016 -15.517 1.768 1.00 0.47 H new ATOM 0 HD3 LYS B 57 7.500 -17.145 2.199 1.00 0.47 H new ATOM 0 HE2 LYS B 57 9.424 -15.006 1.211 1.00 0.23 H new ATOM 0 HE3 LYS B 57 9.118 -15.341 2.903 1.00 0.23 H new ATOM 0 HZ1 LYS B 57 11.036 -16.531 2.336 1.00 0.62 H new ATOM 0 HZ2 LYS B 57 9.806 -17.700 2.396 1.00 0.62 H new ATOM 0 HZ3 LYS B 57 10.364 -17.131 0.897 1.00 0.62 H new ATOM 2316 N LEU B 58 5.308 -13.561 -2.650 1.00 0.07 N ATOM 2317 CA LEU B 58 5.196 -12.555 -3.698 1.00 0.11 C ATOM 2318 C LEU B 58 4.214 -11.466 -3.290 1.00 0.11 C ATOM 2319 O LEU B 58 4.492 -10.276 -3.446 1.00 0.14 O ATOM 2320 CB LEU B 58 4.732 -13.190 -5.011 1.00 0.14 C ATOM 2321 CG LEU B 58 4.589 -12.222 -6.184 1.00 0.16 C ATOM 2322 CD1 LEU B 58 5.952 -11.889 -6.758 1.00 0.17 C ATOM 2323 CD2 LEU B 58 3.678 -12.808 -7.249 1.00 0.27 C ATOM 0 H LEU B 58 4.553 -14.247 -2.643 1.00 0.07 H new ATOM 0 HA LEU B 58 6.182 -12.114 -3.844 1.00 0.11 H new ATOM 0 HB2 LEU B 58 5.440 -13.971 -5.289 1.00 0.14 H new ATOM 0 HB3 LEU B 58 3.771 -13.676 -4.842 1.00 0.14 H new ATOM 0 HG LEU B 58 4.135 -11.299 -5.824 1.00 0.16 H new ATOM 0 HD11 LEU B 58 5.836 -11.198 -7.593 1.00 0.17 H new ATOM 0 HD12 LEU B 58 6.568 -11.426 -5.987 1.00 0.17 H new ATOM 0 HD13 LEU B 58 6.433 -12.803 -7.107 1.00 0.17 H new ATOM 0 HD21 LEU B 58 3.587 -12.105 -8.077 1.00 0.27 H new ATOM 0 HD22 LEU B 58 4.099 -13.745 -7.613 1.00 0.27 H new ATOM 0 HD23 LEU B 58 2.693 -12.995 -6.822 1.00 0.27 H new ATOM 2335 N ALA B 59 3.073 -11.885 -2.762 1.00 0.08 N ATOM 2336 CA ALA B 59 2.030 -10.960 -2.337 1.00 0.09 C ATOM 2337 C ALA B 59 2.527 -10.021 -1.241 1.00 0.14 C ATOM 2338 O ALA B 59 2.203 -8.835 -1.234 1.00 0.31 O ATOM 2339 CB ALA B 59 0.817 -11.737 -1.865 1.00 0.07 C ATOM 0 H ALA B 59 2.844 -12.868 -2.616 1.00 0.08 H new ATOM 0 HA ALA B 59 1.751 -10.344 -3.192 1.00 0.09 H new ATOM 0 HB1 ALA B 59 0.040 -11.041 -1.548 1.00 0.07 H new ATOM 0 HB2 ALA B 59 0.441 -12.355 -2.680 1.00 0.07 H new ATOM 0 HB3 ALA B 59 1.097 -12.375 -1.026 1.00 0.07 H new ATOM 2345 N VAL B 60 3.317 -10.552 -0.318 1.00 0.02 N ATOM 2346 CA VAL B 60 3.860 -9.744 0.768 1.00 0.05 C ATOM 2347 C VAL B 60 4.899 -8.753 0.232 1.00 0.08 C ATOM 2348 O VAL B 60 5.072 -7.660 0.774 1.00 0.12 O ATOM 2349 CB VAL B 60 4.484 -10.622 1.879 1.00 0.07 C ATOM 2350 CG1 VAL B 60 5.642 -11.446 1.344 1.00 0.07 C ATOM 2351 CG2 VAL B 60 4.931 -9.770 3.057 1.00 0.13 C ATOM 0 H VAL B 60 3.596 -11.533 -0.298 1.00 0.02 H new ATOM 0 HA VAL B 60 3.031 -9.189 1.208 1.00 0.05 H new ATOM 0 HB VAL B 60 3.715 -11.311 2.227 1.00 0.07 H new ATOM 0 HG11 VAL B 60 6.059 -12.052 2.148 1.00 0.07 H new ATOM 0 HG12 VAL B 60 5.287 -12.097 0.545 1.00 0.07 H new ATOM 0 HG13 VAL B 60 6.412 -10.781 0.954 1.00 0.07 H new ATOM 0 HG21 VAL B 60 5.366 -10.410 3.825 1.00 0.13 H new ATOM 0 HG22 VAL B 60 5.675 -9.048 2.722 1.00 0.13 H new ATOM 0 HG23 VAL B 60 4.072 -9.241 3.470 1.00 0.13 H new ATOM 2361 N LEU B 61 5.564 -9.135 -0.853 1.00 0.08 N ATOM 2362 CA LEU B 61 6.576 -8.288 -1.469 1.00 0.11 C ATOM 2363 C LEU B 61 5.916 -7.090 -2.140 1.00 0.11 C ATOM 2364 O LEU B 61 6.448 -5.982 -2.128 1.00 0.13 O ATOM 2365 CB LEU B 61 7.383 -9.084 -2.496 1.00 0.13 C ATOM 2366 CG LEU B 61 8.547 -8.325 -3.134 1.00 0.17 C ATOM 2367 CD1 LEU B 61 9.763 -8.338 -2.222 1.00 0.17 C ATOM 2368 CD2 LEU B 61 8.888 -8.915 -4.494 1.00 0.17 C ATOM 0 H LEU B 61 5.419 -10.028 -1.324 1.00 0.08 H new ATOM 0 HA LEU B 61 7.253 -7.932 -0.692 1.00 0.11 H new ATOM 0 HB2 LEU B 61 7.774 -9.979 -2.013 1.00 0.13 H new ATOM 0 HB3 LEU B 61 6.710 -9.416 -3.286 1.00 0.13 H new ATOM 0 HG LEU B 61 8.242 -7.288 -3.277 1.00 0.17 H new ATOM 0 HD11 LEU B 61 10.579 -7.792 -2.696 1.00 0.17 H new ATOM 0 HD12 LEU B 61 9.512 -7.863 -1.274 1.00 0.17 H new ATOM 0 HD13 LEU B 61 10.072 -9.368 -2.042 1.00 0.17 H new ATOM 0 HD21 LEU B 61 9.719 -8.362 -4.933 1.00 0.17 H new ATOM 0 HD22 LEU B 61 9.171 -9.961 -4.376 1.00 0.17 H new ATOM 0 HD23 LEU B 61 8.020 -8.845 -5.149 1.00 0.17 H new ATOM 2380 N THR B 62 4.746 -7.313 -2.720 1.00 0.10 N ATOM 2381 CA THR B 62 4.025 -6.245 -3.384 1.00 0.09 C ATOM 2382 C THR B 62 3.376 -5.325 -2.359 1.00 0.09 C ATOM 2383 O THR B 62 3.304 -4.114 -2.559 1.00 0.08 O ATOM 2384 CB THR B 62 2.951 -6.799 -4.336 1.00 0.10 C ATOM 2385 OG1 THR B 62 2.725 -8.188 -4.060 1.00 0.18 O ATOM 2386 CG2 THR B 62 3.371 -6.630 -5.782 1.00 0.12 C ATOM 0 H THR B 62 4.280 -8.220 -2.743 1.00 0.10 H new ATOM 0 HA THR B 62 4.746 -5.678 -3.973 1.00 0.09 H new ATOM 0 HB THR B 62 2.030 -6.239 -4.175 1.00 0.10 H new ATOM 0 HG1 THR B 62 2.422 -8.292 -3.134 1.00 0.18 H new ATOM 0 HG21 THR B 62 2.595 -7.029 -6.435 1.00 0.12 H new ATOM 0 HG22 THR B 62 3.517 -5.571 -5.997 1.00 0.12 H new ATOM 0 HG23 THR B 62 4.303 -7.168 -5.955 1.00 0.12 H new ATOM 2394 N ALA B 63 2.926 -5.915 -1.254 1.00 0.10 N ATOM 2395 CA ALA B 63 2.290 -5.164 -0.177 1.00 0.11 C ATOM 2396 C ALA B 63 3.213 -4.064 0.337 1.00 0.11 C ATOM 2397 O ALA B 63 2.806 -2.909 0.477 1.00 0.12 O ATOM 2398 CB ALA B 63 1.906 -6.098 0.960 1.00 0.10 C ATOM 0 H ALA B 63 2.991 -6.918 -1.082 1.00 0.10 H new ATOM 0 HA ALA B 63 1.388 -4.698 -0.573 1.00 0.11 H new ATOM 0 HB1 ALA B 63 1.432 -5.525 1.757 1.00 0.10 H new ATOM 0 HB2 ALA B 63 1.210 -6.852 0.592 1.00 0.10 H new ATOM 0 HB3 ALA B 63 2.800 -6.587 1.347 1.00 0.10 H new ATOM 2404 N VAL B 64 4.465 -4.426 0.598 1.00 0.09 N ATOM 2405 CA VAL B 64 5.438 -3.466 1.098 1.00 0.10 C ATOM 2406 C VAL B 64 5.821 -2.459 0.017 1.00 0.12 C ATOM 2407 O VAL B 64 6.045 -1.286 0.316 1.00 0.12 O ATOM 2408 CB VAL B 64 6.698 -4.156 1.682 1.00 0.10 C ATOM 2409 CG1 VAL B 64 7.511 -4.853 0.601 1.00 0.12 C ATOM 2410 CG2 VAL B 64 7.552 -3.150 2.443 1.00 0.11 C ATOM 0 H VAL B 64 4.826 -5.371 0.472 1.00 0.09 H new ATOM 0 HA VAL B 64 4.960 -2.927 1.916 1.00 0.10 H new ATOM 0 HB VAL B 64 6.363 -4.924 2.379 1.00 0.10 H new ATOM 0 HG11 VAL B 64 8.385 -5.324 1.050 1.00 0.12 H new ATOM 0 HG12 VAL B 64 6.897 -5.613 0.117 1.00 0.12 H new ATOM 0 HG13 VAL B 64 7.834 -4.122 -0.140 1.00 0.12 H new ATOM 0 HG21 VAL B 64 8.432 -3.651 2.846 1.00 0.11 H new ATOM 0 HG22 VAL B 64 7.865 -2.354 1.767 1.00 0.11 H new ATOM 0 HG23 VAL B 64 6.971 -2.724 3.261 1.00 0.11 H new ATOM 2420 N GLN B 65 5.861 -2.905 -1.238 1.00 0.15 N ATOM 2421 CA GLN B 65 6.197 -2.016 -2.346 1.00 0.19 C ATOM 2422 C GLN B 65 5.161 -0.908 -2.453 1.00 0.13 C ATOM 2423 O GLN B 65 5.507 0.267 -2.572 1.00 0.16 O ATOM 2424 CB GLN B 65 6.290 -2.784 -3.669 1.00 0.34 C ATOM 2425 CG GLN B 65 7.714 -3.205 -4.029 1.00 0.57 C ATOM 2426 CD GLN B 65 8.627 -2.028 -4.339 1.00 0.79 C ATOM 2427 OE1 GLN B 65 9.836 -2.090 -4.104 1.00 0.98 O ATOM 2428 NE2 GLN B 65 8.068 -0.951 -4.879 1.00 0.80 N ATOM 0 H GLN B 65 5.666 -3.869 -1.510 1.00 0.15 H new ATOM 0 HA GLN B 65 7.175 -1.578 -2.145 1.00 0.19 H new ATOM 0 HB2 GLN B 65 5.661 -3.672 -3.610 1.00 0.34 H new ATOM 0 HB3 GLN B 65 5.890 -2.163 -4.470 1.00 0.34 H new ATOM 0 HG2 GLN B 65 8.137 -3.777 -3.203 1.00 0.57 H new ATOM 0 HG3 GLN B 65 7.682 -3.869 -4.893 1.00 0.57 H new ATOM 0 HE21 GLN B 65 7.064 -0.934 -5.060 1.00 0.80 H new ATOM 0 HE22 GLN B 65 8.642 -0.141 -5.113 1.00 0.80 H new ATOM 2437 N ILE B 66 3.886 -1.288 -2.380 1.00 0.15 N ATOM 2438 CA ILE B 66 2.790 -0.325 -2.449 1.00 0.16 C ATOM 2439 C ILE B 66 2.924 0.693 -1.323 1.00 0.11 C ATOM 2440 O ILE B 66 2.725 1.894 -1.520 1.00 0.27 O ATOM 2441 CB ILE B 66 1.414 -1.022 -2.352 1.00 0.27 C ATOM 2442 CG1 ILE B 66 1.222 -1.971 -3.534 1.00 0.64 C ATOM 2443 CG2 ILE B 66 0.286 0.006 -2.313 1.00 0.89 C ATOM 2444 CD1 ILE B 66 0.155 -3.020 -3.310 1.00 1.38 C ATOM 0 H ILE B 66 3.587 -2.257 -2.273 1.00 0.15 H new ATOM 0 HA ILE B 66 2.849 0.178 -3.414 1.00 0.16 H new ATOM 0 HB ILE B 66 1.385 -1.597 -1.426 1.00 0.27 H new ATOM 0 HG12 ILE B 66 0.964 -1.387 -4.418 1.00 0.64 H new ATOM 0 HG13 ILE B 66 2.168 -2.469 -3.745 1.00 0.64 H new ATOM 0 HG21 ILE B 66 -0.673 -0.508 -2.245 1.00 0.89 H new ATOM 0 HG22 ILE B 66 0.413 0.653 -1.445 1.00 0.89 H new ATOM 0 HG23 ILE B 66 0.311 0.608 -3.221 1.00 0.89 H new ATOM 0 HD11 ILE B 66 0.078 -3.655 -4.193 1.00 1.38 H new ATOM 0 HD12 ILE B 66 0.420 -3.630 -2.446 1.00 1.38 H new ATOM 0 HD13 ILE B 66 -0.803 -2.532 -3.129 1.00 1.38 H new ATOM 2456 N ALA B 67 3.285 0.198 -0.144 1.00 0.16 N ATOM 2457 CA ALA B 67 3.464 1.047 1.021 1.00 0.13 C ATOM 2458 C ALA B 67 4.581 2.059 0.788 1.00 0.06 C ATOM 2459 O ALA B 67 4.384 3.257 0.973 1.00 0.09 O ATOM 2460 CB ALA B 67 3.757 0.206 2.254 1.00 0.16 C ATOM 0 H ALA B 67 3.459 -0.792 0.027 1.00 0.16 H new ATOM 0 HA ALA B 67 2.537 1.595 1.188 1.00 0.13 H new ATOM 0 HB1 ALA B 67 3.888 0.859 3.117 1.00 0.16 H new ATOM 0 HB2 ALA B 67 2.925 -0.474 2.437 1.00 0.16 H new ATOM 0 HB3 ALA B 67 4.668 -0.370 2.093 1.00 0.16 H new ATOM 2466 N SER B 68 5.747 1.579 0.361 1.00 0.08 N ATOM 2467 CA SER B 68 6.888 2.455 0.110 1.00 0.06 C ATOM 2468 C SER B 68 6.596 3.453 -1.009 1.00 0.16 C ATOM 2469 O SER B 68 7.019 4.610 -0.944 1.00 0.21 O ATOM 2470 CB SER B 68 8.131 1.626 -0.227 1.00 0.06 C ATOM 2471 OG SER B 68 7.801 0.490 -1.009 1.00 0.28 O ATOM 0 H SER B 68 5.926 0.591 0.182 1.00 0.08 H new ATOM 0 HA SER B 68 7.076 3.024 1.021 1.00 0.06 H new ATOM 0 HB2 SER B 68 8.847 2.245 -0.767 1.00 0.06 H new ATOM 0 HB3 SER B 68 8.617 1.306 0.695 1.00 0.06 H new ATOM 0 HG SER B 68 7.000 0.681 -1.541 1.00 0.28 H new ATOM 2477 N GLU B 69 5.849 3.011 -2.015 1.00 0.26 N ATOM 2478 CA GLU B 69 5.504 3.857 -3.149 1.00 0.35 C ATOM 2479 C GLU B 69 4.582 5.004 -2.735 1.00 0.24 C ATOM 2480 O GLU B 69 4.615 6.081 -3.328 1.00 0.18 O ATOM 2481 CB GLU B 69 4.856 3.023 -4.260 1.00 0.52 C ATOM 2482 CG GLU B 69 5.864 2.239 -5.098 1.00 0.44 C ATOM 2483 CD GLU B 69 5.210 1.244 -6.038 1.00 1.20 C ATOM 2484 OE1 GLU B 69 4.361 1.658 -6.856 1.00 1.71 O ATOM 2485 OE2 GLU B 69 5.554 0.040 -5.974 1.00 1.60 O1- ATOM 0 H GLU B 69 5.469 2.066 -2.067 1.00 0.26 H new ATOM 0 HA GLU B 69 6.427 4.295 -3.529 1.00 0.35 H new ATOM 0 HB2 GLU B 69 4.146 2.326 -3.814 1.00 0.52 H new ATOM 0 HB3 GLU B 69 4.287 3.683 -4.914 1.00 0.52 H new ATOM 0 HG2 GLU B 69 6.466 2.938 -5.679 1.00 0.44 H new ATOM 0 HG3 GLU B 69 6.545 1.708 -4.433 1.00 0.44 H new ATOM 2492 N TYR B 70 3.775 4.786 -1.703 1.00 0.23 N ATOM 2493 CA TYR B 70 2.860 5.822 -1.235 1.00 0.15 C ATOM 2494 C TYR B 70 3.432 6.576 -0.036 1.00 0.08 C ATOM 2495 O TYR B 70 2.958 7.659 0.311 1.00 0.12 O ATOM 2496 CB TYR B 70 1.499 5.224 -0.887 1.00 0.24 C ATOM 2497 CG TYR B 70 0.438 5.511 -1.925 1.00 0.32 C ATOM 2498 CD1 TYR B 70 -0.276 6.703 -1.903 1.00 0.57 C ATOM 2499 CD2 TYR B 70 0.153 4.593 -2.929 1.00 0.75 C ATOM 2500 CE1 TYR B 70 -1.244 6.972 -2.850 1.00 0.56 C ATOM 2501 CE2 TYR B 70 -0.815 4.856 -3.881 1.00 0.85 C ATOM 2502 CZ TYR B 70 -1.511 6.048 -3.836 1.00 0.50 C ATOM 2503 OH TYR B 70 -2.474 6.322 -4.781 1.00 0.59 O ATOM 0 H TYR B 70 3.735 3.912 -1.179 1.00 0.23 H new ATOM 0 HA TYR B 70 2.731 6.536 -2.048 1.00 0.15 H new ATOM 0 HB2 TYR B 70 1.602 4.145 -0.772 1.00 0.24 H new ATOM 0 HB3 TYR B 70 1.172 5.618 0.075 1.00 0.24 H new ATOM 0 HD1 TYR B 70 -0.070 7.431 -1.132 1.00 0.57 H new ATOM 0 HD2 TYR B 70 0.696 3.660 -2.966 1.00 0.75 H new ATOM 0 HE1 TYR B 70 -1.790 7.903 -2.818 1.00 0.56 H new ATOM 0 HE2 TYR B 70 -1.026 4.133 -4.655 1.00 0.85 H new ATOM 0 HH TYR B 70 -2.541 5.571 -5.407 1.00 0.59 H new ATOM 2513 N LEU B 71 4.455 6.008 0.593 1.00 0.09 N ATOM 2514 CA LEU B 71 5.087 6.647 1.750 1.00 0.17 C ATOM 2515 C LEU B 71 5.777 7.937 1.319 1.00 0.22 C ATOM 2516 O LEU B 71 5.780 8.929 2.046 1.00 0.26 O ATOM 2517 CB LEU B 71 6.110 5.714 2.432 1.00 0.24 C ATOM 2518 CG LEU B 71 5.816 5.310 3.893 1.00 0.27 C ATOM 2519 CD1 LEU B 71 5.612 6.531 4.783 1.00 0.32 C ATOM 2520 CD2 LEU B 71 4.612 4.381 3.978 1.00 0.32 C ATOM 0 H LEU B 71 4.865 5.113 0.327 1.00 0.09 H new ATOM 0 HA LEU B 71 4.303 6.870 2.473 1.00 0.17 H new ATOM 0 HB2 LEU B 71 6.190 4.804 1.837 1.00 0.24 H new ATOM 0 HB3 LEU B 71 7.085 6.200 2.403 1.00 0.24 H new ATOM 0 HG LEU B 71 6.690 4.771 4.258 1.00 0.27 H new ATOM 0 HD11 LEU B 71 5.407 6.207 5.803 1.00 0.32 H new ATOM 0 HD12 LEU B 71 6.513 7.145 4.771 1.00 0.32 H new ATOM 0 HD13 LEU B 71 4.770 7.115 4.412 1.00 0.32 H new ATOM 0 HD21 LEU B 71 4.431 4.115 5.019 1.00 0.32 H new ATOM 0 HD22 LEU B 71 3.734 4.885 3.574 1.00 0.32 H new ATOM 0 HD23 LEU B 71 4.808 3.477 3.401 1.00 0.32 H new ATOM 2532 N LYS B 72 6.349 7.919 0.121 1.00 0.23 N ATOM 2533 CA LYS B 72 7.032 9.089 -0.414 1.00 0.27 C ATOM 2534 C LYS B 72 6.022 10.159 -0.820 1.00 0.24 C ATOM 2535 O LYS B 72 6.357 11.339 -0.936 1.00 0.29 O ATOM 2536 CB LYS B 72 7.904 8.709 -1.616 1.00 0.31 C ATOM 2537 CG LYS B 72 7.153 7.989 -2.726 1.00 0.38 C ATOM 2538 CD LYS B 72 7.875 8.115 -4.062 1.00 0.40 C ATOM 2539 CE LYS B 72 7.611 9.465 -4.710 1.00 0.52 C ATOM 2540 NZ LYS B 72 8.451 9.681 -5.916 1.00 0.58 N1+ ATOM 0 H LYS B 72 6.353 7.108 -0.497 1.00 0.23 H new ATOM 0 HA LYS B 72 7.676 9.490 0.369 1.00 0.27 H new ATOM 0 HB2 LYS B 72 8.355 9.613 -2.024 1.00 0.31 H new ATOM 0 HB3 LYS B 72 8.720 8.073 -1.273 1.00 0.31 H new ATOM 0 HG2 LYS B 72 7.043 6.936 -2.469 1.00 0.38 H new ATOM 0 HG3 LYS B 72 6.148 8.402 -2.814 1.00 0.38 H new ATOM 0 HD2 LYS B 72 8.947 7.985 -3.912 1.00 0.40 H new ATOM 0 HD3 LYS B 72 7.548 7.319 -4.731 1.00 0.40 H new ATOM 0 HE2 LYS B 72 6.559 9.535 -4.985 1.00 0.52 H new ATOM 0 HE3 LYS B 72 7.805 10.257 -3.987 1.00 0.52 H new ATOM 0 HZ1 LYS B 72 8.238 10.613 -6.325 1.00 0.58 H new ATOM 0 HZ2 LYS B 72 9.456 9.641 -5.651 1.00 0.58 H new ATOM 0 HZ3 LYS B 72 8.248 8.941 -6.618 1.00 0.58 H new ATOM 2554 N LEU B 73 4.778 9.735 -1.017 1.00 0.17 N ATOM 2555 CA LEU B 73 3.711 10.643 -1.411 1.00 0.14 C ATOM 2556 C LEU B 73 3.304 11.509 -0.221 1.00 0.11 C ATOM 2557 O LEU B 73 3.184 12.729 -0.346 1.00 0.09 O ATOM 2558 CB LEU B 73 2.508 9.844 -1.956 1.00 0.13 C ATOM 2559 CG LEU B 73 1.384 10.644 -2.647 1.00 0.12 C ATOM 2560 CD1 LEU B 73 0.422 11.229 -1.626 1.00 0.08 C ATOM 2561 CD2 LEU B 73 1.946 11.741 -3.546 1.00 0.15 C ATOM 0 H LEU B 73 4.485 8.764 -0.909 1.00 0.17 H new ATOM 0 HA LEU B 73 4.068 11.298 -2.206 1.00 0.14 H new ATOM 0 HB2 LEU B 73 2.885 9.109 -2.667 1.00 0.13 H new ATOM 0 HB3 LEU B 73 2.068 9.290 -1.127 1.00 0.13 H new ATOM 0 HG LEU B 73 0.832 9.947 -3.278 1.00 0.12 H new ATOM 0 HD11 LEU B 73 -0.360 11.788 -2.141 1.00 0.08 H new ATOM 0 HD12 LEU B 73 -0.029 10.423 -1.047 1.00 0.08 H new ATOM 0 HD13 LEU B 73 0.964 11.897 -0.956 1.00 0.08 H new ATOM 0 HD21 LEU B 73 1.125 12.283 -4.015 1.00 0.15 H new ATOM 0 HD22 LEU B 73 2.542 12.431 -2.949 1.00 0.15 H new ATOM 0 HD23 LEU B 73 2.573 11.294 -4.317 1.00 0.15 H new ATOM 2573 N LYS B 74 3.120 10.878 0.939 1.00 0.11 N ATOM 2574 CA LYS B 74 2.732 11.611 2.144 1.00 0.10 C ATOM 2575 C LYS B 74 3.869 12.522 2.597 1.00 0.13 C ATOM 2576 O LYS B 74 3.644 13.510 3.299 1.00 0.13 O ATOM 2577 CB LYS B 74 2.318 10.658 3.280 1.00 0.12 C ATOM 2578 CG LYS B 74 3.477 9.940 3.960 1.00 0.20 C ATOM 2579 CD LYS B 74 3.211 9.718 5.447 1.00 0.28 C ATOM 2580 CE LYS B 74 2.068 8.740 5.681 1.00 0.32 C ATOM 2581 NZ LYS B 74 1.683 8.661 7.115 1.00 0.43 N1+ ATOM 0 H LYS B 74 3.232 9.873 1.070 1.00 0.11 H new ATOM 0 HA LYS B 74 1.864 12.223 1.897 1.00 0.10 H new ATOM 0 HB2 LYS B 74 1.769 11.226 4.031 1.00 0.12 H new ATOM 0 HB3 LYS B 74 1.631 9.913 2.879 1.00 0.12 H new ATOM 0 HG2 LYS B 74 3.645 8.979 3.473 1.00 0.20 H new ATOM 0 HG3 LYS B 74 4.389 10.524 3.837 1.00 0.20 H new ATOM 0 HD2 LYS B 74 4.115 9.340 5.925 1.00 0.28 H new ATOM 0 HD3 LYS B 74 2.975 10.671 5.920 1.00 0.28 H new ATOM 0 HE2 LYS B 74 1.204 9.045 5.091 1.00 0.32 H new ATOM 0 HE3 LYS B 74 2.361 7.751 5.330 1.00 0.32 H new ATOM 0 HZ1 LYS B 74 0.902 7.984 7.228 1.00 0.43 H new ATOM 0 HZ2 LYS B 74 2.499 8.345 7.677 1.00 0.43 H new ATOM 0 HZ3 LYS B 74 1.378 9.599 7.445 1.00 0.43 H new ATOM 2595 N GLU B 75 5.087 12.184 2.194 1.00 0.17 N ATOM 2596 CA GLU B 75 6.245 12.992 2.535 1.00 0.20 C ATOM 2597 C GLU B 75 6.206 14.291 1.743 1.00 0.16 C ATOM 2598 O GLU B 75 6.415 15.372 2.288 1.00 0.20 O ATOM 2599 CB GLU B 75 7.541 12.236 2.245 1.00 0.27 C ATOM 2600 CG GLU B 75 8.778 12.943 2.774 1.00 0.36 C ATOM 2601 CD GLU B 75 8.843 12.948 4.290 1.00 0.45 C ATOM 2602 OE1 GLU B 75 8.338 11.993 4.918 1.00 0.55 O ATOM 2603 OE2 GLU B 75 9.414 13.897 4.863 1.00 0.44 O1- ATOM 0 H GLU B 75 5.296 11.358 1.633 1.00 0.17 H new ATOM 0 HA GLU B 75 6.216 13.215 3.602 1.00 0.20 H new ATOM 0 HB2 GLU B 75 7.481 11.242 2.688 1.00 0.27 H new ATOM 0 HB3 GLU B 75 7.641 12.099 1.168 1.00 0.27 H new ATOM 0 HG2 GLU B 75 9.668 12.455 2.377 1.00 0.36 H new ATOM 0 HG3 GLU B 75 8.788 13.970 2.410 1.00 0.36 H new ATOM 2610 N GLU B 76 5.915 14.177 0.451 1.00 0.13 N ATOM 2611 CA GLU B 76 5.818 15.345 -0.412 1.00 0.11 C ATOM 2612 C GLU B 76 4.668 16.228 0.063 1.00 0.08 C ATOM 2613 O GLU B 76 4.797 17.451 0.137 1.00 0.08 O ATOM 2614 CB GLU B 76 5.616 14.918 -1.874 1.00 0.17 C ATOM 2615 CG GLU B 76 5.151 16.042 -2.789 1.00 0.18 C ATOM 2616 CD GLU B 76 5.660 15.900 -4.209 1.00 0.21 C ATOM 2617 OE1 GLU B 76 5.364 14.874 -4.860 1.00 0.20 O ATOM 2618 OE2 GLU B 76 6.357 16.820 -4.688 1.00 0.34 O1- ATOM 0 H GLU B 76 5.743 13.288 -0.019 1.00 0.13 H new ATOM 0 HA GLU B 76 6.746 15.914 -0.358 1.00 0.11 H new ATOM 0 HB2 GLU B 76 6.554 14.516 -2.257 1.00 0.17 H new ATOM 0 HB3 GLU B 76 4.885 14.110 -1.908 1.00 0.17 H new ATOM 0 HG2 GLU B 76 4.061 16.066 -2.800 1.00 0.18 H new ATOM 0 HG3 GLU B 76 5.487 16.996 -2.383 1.00 0.18 H new ATOM 2625 N TYR B 77 3.565 15.577 0.423 1.00 0.07 N ATOM 2626 CA TYR B 77 2.361 16.252 0.907 1.00 0.11 C ATOM 2627 C TYR B 77 2.669 17.173 2.089 1.00 0.13 C ATOM 2628 O TYR B 77 2.127 18.269 2.185 1.00 0.22 O ATOM 2629 CB TYR B 77 1.316 15.193 1.298 1.00 0.13 C ATOM 2630 CG TYR B 77 0.002 15.731 1.847 1.00 0.15 C ATOM 2631 CD1 TYR B 77 -0.542 16.933 1.402 1.00 0.22 C ATOM 2632 CD2 TYR B 77 -0.706 15.010 2.801 1.00 0.12 C ATOM 2633 CE1 TYR B 77 -1.749 17.399 1.891 1.00 0.25 C ATOM 2634 CE2 TYR B 77 -1.912 15.470 3.295 1.00 0.14 C ATOM 2635 CZ TYR B 77 -2.428 16.665 2.839 1.00 0.20 C ATOM 2636 OH TYR B 77 -3.633 17.119 3.328 1.00 0.23 O ATOM 0 H TYR B 77 3.479 14.561 0.387 1.00 0.07 H new ATOM 0 HA TYR B 77 1.965 16.880 0.109 1.00 0.11 H new ATOM 0 HB2 TYR B 77 1.099 14.583 0.421 1.00 0.13 H new ATOM 0 HB3 TYR B 77 1.757 14.533 2.045 1.00 0.13 H new ATOM 0 HD1 TYR B 77 -0.011 17.512 0.661 1.00 0.22 H new ATOM 0 HD2 TYR B 77 -0.307 14.074 3.163 1.00 0.12 H new ATOM 0 HE1 TYR B 77 -2.157 18.332 1.532 1.00 0.25 H new ATOM 0 HE2 TYR B 77 -2.449 14.896 4.036 1.00 0.14 H new ATOM 0 HH TYR B 77 -4.072 16.403 3.832 1.00 0.23 H new ATOM 2646 N GLN B 78 3.544 16.738 2.978 1.00 0.22 N ATOM 2647 CA GLN B 78 3.891 17.541 4.142 1.00 0.30 C ATOM 2648 C GLN B 78 5.041 18.511 3.855 1.00 0.37 C ATOM 2649 O GLN B 78 5.003 19.667 4.279 1.00 0.84 O ATOM 2650 CB GLN B 78 4.243 16.639 5.335 1.00 0.28 C ATOM 2651 CG GLN B 78 5.533 15.847 5.165 1.00 0.17 C ATOM 2652 CD GLN B 78 5.672 14.724 6.168 1.00 0.26 C ATOM 2653 OE1 GLN B 78 6.296 14.886 7.216 1.00 0.53 O ATOM 2654 NE2 GLN B 78 5.088 13.579 5.859 1.00 0.24 N ATOM 0 H GLN B 78 4.025 15.841 2.920 1.00 0.22 H new ATOM 0 HA GLN B 78 3.014 18.138 4.391 1.00 0.30 H new ATOM 0 HB2 GLN B 78 4.325 17.256 6.230 1.00 0.28 H new ATOM 0 HB3 GLN B 78 3.422 15.942 5.503 1.00 0.28 H new ATOM 0 HG2 GLN B 78 5.569 15.433 4.157 1.00 0.17 H new ATOM 0 HG3 GLN B 78 6.383 16.522 5.263 1.00 0.17 H new ATOM 0 HE21 GLN B 78 4.580 13.487 4.979 1.00 0.24 H new ATOM 0 HE22 GLN B 78 5.145 12.788 6.500 1.00 0.24 H new ATOM 2663 N ARG B 79 6.034 18.057 3.095 1.00 0.28 N ATOM 2664 CA ARG B 79 7.211 18.868 2.798 1.00 0.30 C ATOM 2665 C ARG B 79 6.903 20.072 1.915 1.00 0.27 C ATOM 2666 O ARG B 79 7.453 21.150 2.134 1.00 0.23 O ATOM 2667 CB ARG B 79 8.308 18.016 2.152 1.00 0.34 C ATOM 2668 CG ARG B 79 9.087 17.180 3.156 1.00 0.63 C ATOM 2669 CD ARG B 79 10.577 17.194 2.856 1.00 0.85 C ATOM 2670 NE ARG B 79 10.915 16.357 1.707 1.00 1.45 N ATOM 2671 CZ ARG B 79 11.429 15.130 1.809 1.00 1.28 C ATOM 2672 NH1 ARG B 79 11.641 14.592 3.004 1.00 0.73 N1+ ATOM 2673 NH2 ARG B 79 11.719 14.438 0.713 1.00 2.05 N ATOM 0 H ARG B 79 6.047 17.129 2.672 1.00 0.28 H new ATOM 0 HA ARG B 79 7.562 19.254 3.755 1.00 0.30 H new ATOM 0 HB2 ARG B 79 7.857 17.356 1.411 1.00 0.34 H new ATOM 0 HB3 ARG B 79 8.999 18.669 1.619 1.00 0.34 H new ATOM 0 HG2 ARG B 79 8.914 17.563 4.162 1.00 0.63 H new ATOM 0 HG3 ARG B 79 8.721 16.153 3.138 1.00 0.63 H new ATOM 0 HD2 ARG B 79 10.898 18.218 2.665 1.00 0.85 H new ATOM 0 HD3 ARG B 79 11.126 16.846 3.731 1.00 0.85 H new ATOM 0 HE ARG B 79 10.748 16.732 0.773 1.00 1.45 H new ATOM 0 HH11 ARG B 79 11.411 15.117 3.848 1.00 0.73 H new ATOM 0 HH12 ARG B 79 12.034 13.654 3.078 1.00 0.73 H new ATOM 0 HH21 ARG B 79 11.549 14.845 -0.207 1.00 2.05 H new ATOM 0 HH22 ARG B 79 12.112 13.500 0.791 1.00 2.05 H new ATOM 2687 N LEU B 80 6.026 19.908 0.930 1.00 0.30 N ATOM 2688 CA LEU B 80 5.707 21.013 0.028 1.00 0.28 C ATOM 2689 C LEU B 80 4.824 22.057 0.712 1.00 0.23 C ATOM 2690 O LEU B 80 4.883 23.241 0.378 1.00 0.28 O ATOM 2691 CB LEU B 80 5.050 20.503 -1.269 1.00 0.31 C ATOM 2692 CG LEU B 80 3.537 20.722 -1.383 1.00 0.48 C ATOM 2693 CD1 LEU B 80 3.134 20.989 -2.824 1.00 0.79 C ATOM 2694 CD2 LEU B 80 2.785 19.522 -0.848 1.00 0.44 C ATOM 0 H LEU B 80 5.530 19.038 0.736 1.00 0.30 H new ATOM 0 HA LEU B 80 6.647 21.496 -0.238 1.00 0.28 H new ATOM 0 HB2 LEU B 80 5.533 20.992 -2.115 1.00 0.31 H new ATOM 0 HB3 LEU B 80 5.251 19.436 -1.360 1.00 0.31 H new ATOM 0 HG LEU B 80 3.278 21.596 -0.785 1.00 0.48 H new ATOM 0 HD11 LEU B 80 2.056 21.141 -2.878 1.00 0.79 H new ATOM 0 HD12 LEU B 80 3.645 21.881 -3.185 1.00 0.79 H new ATOM 0 HD13 LEU B 80 3.412 20.136 -3.443 1.00 0.79 H new ATOM 0 HD21 LEU B 80 1.713 19.695 -0.937 1.00 0.44 H new ATOM 0 HD22 LEU B 80 3.058 18.636 -1.421 1.00 0.44 H new ATOM 0 HD23 LEU B 80 3.042 19.369 0.200 1.00 0.44 H new ATOM 2706 N ARG B 81 4.026 21.631 1.684 1.00 0.20 N ATOM 2707 CA ARG B 81 3.141 22.551 2.390 1.00 0.15 C ATOM 2708 C ARG B 81 3.927 23.420 3.363 1.00 0.15 C ATOM 2709 O ARG B 81 3.772 24.643 3.382 1.00 0.43 O ATOM 2710 CB ARG B 81 2.036 21.794 3.126 1.00 0.22 C ATOM 2711 CG ARG B 81 1.068 21.090 2.189 1.00 0.32 C ATOM 2712 CD ARG B 81 -0.173 20.590 2.913 1.00 0.65 C ATOM 2713 NE ARG B 81 0.156 19.867 4.141 1.00 1.05 N ATOM 2714 CZ ARG B 81 -0.746 19.497 5.053 1.00 1.70 C ATOM 2715 NH1 ARG B 81 -2.031 19.793 4.882 1.00 2.04 N1+ ATOM 2716 NH2 ARG B 81 -0.363 18.835 6.138 1.00 2.12 N ATOM 0 H ARG B 81 3.973 20.663 2.000 1.00 0.20 H new ATOM 0 HA ARG B 81 2.675 23.199 1.648 1.00 0.15 H new ATOM 0 HB2 ARG B 81 2.489 21.058 3.791 1.00 0.22 H new ATOM 0 HB3 ARG B 81 1.482 22.492 3.754 1.00 0.22 H new ATOM 0 HG2 ARG B 81 0.772 21.775 1.394 1.00 0.32 H new ATOM 0 HG3 ARG B 81 1.572 20.249 1.713 1.00 0.32 H new ATOM 0 HD2 ARG B 81 -0.817 21.436 3.153 1.00 0.65 H new ATOM 0 HD3 ARG B 81 -0.740 19.937 2.250 1.00 0.65 H new ATOM 0 HE ARG B 81 1.134 19.631 4.311 1.00 1.05 H new ATOM 0 HH11 ARG B 81 -2.330 20.304 4.052 1.00 2.04 H new ATOM 0 HH12 ARG B 81 -2.717 19.509 5.581 1.00 2.04 H new ATOM 0 HH21 ARG B 81 0.622 18.608 6.276 1.00 2.12 H new ATOM 0 HH22 ARG B 81 -1.054 18.553 6.834 1.00 2.12 H new ATOM 2730 N GLU B 82 4.786 22.793 4.159 1.00 0.39 N ATOM 2731 CA GLU B 82 5.598 23.533 5.120 1.00 0.44 C ATOM 2732 C GLU B 82 6.626 24.385 4.385 1.00 0.34 C ATOM 2733 O GLU B 82 7.112 25.377 4.909 1.00 0.27 O ATOM 2734 CB GLU B 82 6.290 22.586 6.110 1.00 0.69 C ATOM 2735 CG GLU B 82 7.268 21.619 5.467 1.00 0.48 C ATOM 2736 CD GLU B 82 8.120 20.886 6.480 1.00 0.92 C ATOM 2737 OE1 GLU B 82 7.556 20.170 7.337 1.00 1.70 O1- ATOM 2738 OE2 GLU B 82 9.360 21.019 6.422 1.00 1.27 O ATOM 0 H GLU B 82 4.938 21.784 4.159 1.00 0.39 H new ATOM 0 HA GLU B 82 4.940 24.186 5.693 1.00 0.44 H new ATOM 0 HB2 GLU B 82 6.820 23.181 6.854 1.00 0.69 H new ATOM 0 HB3 GLU B 82 5.529 22.015 6.642 1.00 0.69 H new ATOM 0 HG2 GLU B 82 6.715 20.893 4.871 1.00 0.48 H new ATOM 0 HG3 GLU B 82 7.916 22.166 4.782 1.00 0.48 H new ATOM 2745 N GLN B 83 6.926 24.007 3.153 1.00 0.35 N ATOM 2746 CA GLN B 83 7.885 24.739 2.337 1.00 0.31 C ATOM 2747 C GLN B 83 7.261 26.019 1.787 1.00 0.28 C ATOM 2748 O GLN B 83 7.957 26.893 1.265 1.00 0.30 O ATOM 2749 CB GLN B 83 8.353 23.859 1.182 1.00 0.36 C ATOM 2750 CG GLN B 83 9.642 24.320 0.528 1.00 0.39 C ATOM 2751 CD GLN B 83 10.072 23.402 -0.599 1.00 0.29 C ATOM 2752 OE1 GLN B 83 9.780 23.661 -1.764 1.00 0.45 O ATOM 2753 NE2 GLN B 83 10.741 22.310 -0.260 1.00 0.89 N ATOM 0 H GLN B 83 6.518 23.193 2.693 1.00 0.35 H new ATOM 0 HA GLN B 83 8.737 25.009 2.961 1.00 0.31 H new ATOM 0 HB2 GLN B 83 8.489 22.841 1.548 1.00 0.36 H new ATOM 0 HB3 GLN B 83 7.568 23.824 0.426 1.00 0.36 H new ATOM 0 HG2 GLN B 83 9.510 25.330 0.141 1.00 0.39 H new ATOM 0 HG3 GLN B 83 10.432 24.366 1.278 1.00 0.39 H new ATOM 0 HE21 GLN B 83 10.964 22.132 0.719 1.00 0.89 H new ATOM 0 HE22 GLN B 83 11.033 21.647 -0.978 1.00 0.89 H new ATOM 2762 N LEU B 84 5.948 26.123 1.903 1.00 0.27 N ATOM 2763 CA LEU B 84 5.230 27.285 1.405 1.00 0.26 C ATOM 2764 C LEU B 84 4.752 28.170 2.553 1.00 0.19 C ATOM 2765 O LEU B 84 4.620 29.386 2.401 1.00 0.26 O ATOM 2766 CB LEU B 84 4.039 26.821 0.559 1.00 0.39 C ATOM 2767 CG LEU B 84 3.252 27.943 -0.150 1.00 0.50 C ATOM 2768 CD1 LEU B 84 2.945 27.575 -1.597 1.00 0.62 C ATOM 2769 CD2 LEU B 84 1.958 28.267 0.590 1.00 1.24 C ATOM 0 H LEU B 84 5.356 25.416 2.338 1.00 0.27 H new ATOM 0 HA LEU B 84 5.907 27.877 0.789 1.00 0.26 H new ATOM 0 HB2 LEU B 84 4.401 26.123 -0.195 1.00 0.39 H new ATOM 0 HB3 LEU B 84 3.352 26.269 1.201 1.00 0.39 H new ATOM 0 HG LEU B 84 3.885 28.830 -0.144 1.00 0.50 H new ATOM 0 HD11 LEU B 84 2.390 28.386 -2.069 1.00 0.62 H new ATOM 0 HD12 LEU B 84 3.878 27.412 -2.137 1.00 0.62 H new ATOM 0 HD13 LEU B 84 2.347 26.664 -1.622 1.00 0.62 H new ATOM 0 HD21 LEU B 84 1.428 29.061 0.065 1.00 1.24 H new ATOM 0 HD22 LEU B 84 1.330 27.377 0.632 1.00 1.24 H new ATOM 0 HD23 LEU B 84 2.191 28.595 1.603 1.00 1.24 H new ATOM 2781 N LYS B 85 4.492 27.555 3.697 1.00 0.35 N ATOM 2782 CA LYS B 85 4.004 28.284 4.859 1.00 0.59 C ATOM 2783 C LYS B 85 5.126 28.611 5.845 1.00 0.72 C ATOM 2784 O LYS B 85 5.061 29.612 6.561 1.00 0.98 O ATOM 2785 CB LYS B 85 2.910 27.467 5.546 1.00 0.69 C ATOM 2786 CG LYS B 85 1.742 27.142 4.620 1.00 0.66 C ATOM 2787 CD LYS B 85 0.894 25.985 5.133 1.00 0.84 C ATOM 2788 CE LYS B 85 -0.213 26.457 6.062 1.00 1.01 C ATOM 2789 NZ LYS B 85 0.258 26.626 7.460 1.00 1.80 N1+ ATOM 0 H LYS B 85 4.611 26.553 3.846 1.00 0.35 H new ATOM 0 HA LYS B 85 3.595 29.235 4.516 1.00 0.59 H new ATOM 0 HB2 LYS B 85 3.339 26.538 5.921 1.00 0.69 H new ATOM 0 HB3 LYS B 85 2.540 28.019 6.410 1.00 0.69 H new ATOM 0 HG2 LYS B 85 1.115 28.026 4.508 1.00 0.66 H new ATOM 0 HG3 LYS B 85 2.125 26.896 3.630 1.00 0.66 H new ATOM 0 HD2 LYS B 85 0.456 25.454 4.288 1.00 0.84 H new ATOM 0 HD3 LYS B 85 1.531 25.275 5.660 1.00 0.84 H new ATOM 0 HE2 LYS B 85 -0.610 27.404 5.698 1.00 1.01 H new ATOM 0 HE3 LYS B 85 -1.032 25.739 6.041 1.00 1.01 H new ATOM 0 HZ1 LYS B 85 -0.492 26.331 8.117 1.00 1.80 H new ATOM 0 HZ2 LYS B 85 1.104 26.041 7.615 1.00 1.80 H new ATOM 0 HZ3 LYS B 85 0.493 27.625 7.629 1.00 1.80 H new ATOM 2803 N LYS B 86 6.154 27.777 5.873 1.00 0.59 N ATOM 2804 CA LYS B 86 7.278 27.975 6.776 1.00 0.82 C ATOM 2805 C LYS B 86 8.531 28.342 5.980 1.00 0.82 C ATOM 2806 O LYS B 86 8.672 29.526 5.610 1.00 1.02 O ATOM 2807 CB LYS B 86 7.510 26.702 7.602 1.00 1.00 C ATOM 2808 CG LYS B 86 8.661 26.804 8.592 1.00 1.09 C ATOM 2809 CD LYS B 86 9.187 25.429 8.991 1.00 1.23 C ATOM 2810 CE LYS B 86 9.657 24.623 7.785 1.00 1.10 C ATOM 2811 NZ LYS B 86 10.548 25.410 6.890 1.00 0.86 N1+ ATOM 0 H LYS B 86 6.233 26.953 5.278 1.00 0.59 H new ATOM 0 HA LYS B 86 7.054 28.795 7.458 1.00 0.82 H new ATOM 0 HB2 LYS B 86 6.596 26.464 8.147 1.00 1.00 H new ATOM 0 HB3 LYS B 86 7.702 25.871 6.923 1.00 1.00 H new ATOM 0 HG2 LYS B 86 9.469 27.389 8.152 1.00 1.09 H new ATOM 0 HG3 LYS B 86 8.329 27.339 9.482 1.00 1.09 H new ATOM 0 HD2 LYS B 86 10.013 25.547 9.692 1.00 1.23 H new ATOM 0 HD3 LYS B 86 8.403 24.878 9.511 1.00 1.23 H new ATOM 0 HE2 LYS B 86 10.185 23.734 8.129 1.00 1.10 H new ATOM 0 HE3 LYS B 86 8.790 24.280 7.220 1.00 1.10 H new ATOM 0 HZ1 LYS B 86 11.027 24.769 6.226 1.00 0.86 H new ATOM 0 HZ2 LYS B 86 9.982 26.101 6.357 1.00 0.86 H new ATOM 0 HZ3 LYS B 86 11.258 25.911 7.461 1.00 0.86 H new TER 2825 LYS B 86