USER MOD reduce.3.24.130724 H: found=0, std=0, add=1434, rem=0, adj=44 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: B 68 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 72 LYS NZ :NH3+ -163:sc= 1.9 (180deg=1.58) USER MOD Set 2.1: A 68 SER OG : rot -160:sc= 0.219 USER MOD Set 2.2: A 72 LYS NZ :NH3+ -170:sc= 2.28 (180deg=1.69) USER MOD Set 3.1: A 42 LYS NZ :NH3+ -173:sc= 0.896 (180deg=0) USER MOD Set 3.2: A 65 GLN : amide:sc= -0.0131 K(o=0.88,f=-5.9!) USER MOD Set 4.1: A 17 TYR OH : rot 51:sc= 0.246 USER MOD Set 4.2: A 47 SER OG : rot 63:sc= 1.49 USER MOD Single : A 1 GLY N :NH3+ 132:sc= 0.0262 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0745 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 171:sc= -1.12 (180deg=-1.46) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.596 X(o=-0.6,f=-0.23) USER MOD Single : A 21 TYR OH : rot -150:sc= -0.333 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00883 USER MOD Single : A 28 SER OG : rot 180:sc= 0.118 USER MOD Single : A 31 HIS : no HD1:sc= -1.76 K(o=0.14,f=-10!) USER MOD Single : A 43 MET CE :methyl 142:sc= -3.19 (180deg=-6.9!) USER MOD Single : A 44 HIS : no HE2:sc= 1.05 K(o=1.1,f=-3.1!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -2.07! K(o=-2.1!,f=0) USER MOD Single : A 52 MET CE :methyl -160:sc= -0.121 (180deg=-0.516) USER MOD Single : A 57 LYS NZ :NH3+ -120:sc= 1.01 (180deg=0.37) USER MOD Single : A 62 THR OG1 : rot -44:sc= 1.2 USER MOD Single : A 70 TYR OH : rot 162:sc= 0.00157 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0.482 USER MOD Single : A 78 GLN : amide:sc= -0.143 K(o=-0.14,f=-0.89) 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0.0888 USER MOD Single : B 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 4 MET CE :methyl 160:sc= -0.174 (180deg=-0.765) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0.0406 USER MOD Single : B 7 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 SER OG : rot 180:sc= 0.0119 USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= -0.823 K(o=-0.82,f=-2) USER MOD Single : B 21 TYR OH : rot 172:sc= -0.303 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 SER OG : rot 180:sc= -1.01 USER MOD Single : B 31 HIS : no HE2:sc= -0.485 K(o=0.8,f=-7.7!) USER MOD Single : B 42 LYS NZ :NH3+ 168:sc= 2.14 (180deg=1.89) USER MOD Single : B 43 MET CE :methyl 166:sc= -0.449 (180deg=-1.16) USER MOD Single : B 44 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD Single : B 47 SER OG : rot -95:sc= 1.22 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : B 52 MET CE :methyl -164:sc= -0.418 (180deg=-0.863) USER MOD Single : B 57 LYS NZ :NH3+ -135:sc= 0.471 (180deg=-0.106) USER MOD Single : B 62 THR OG1 : rot 37:sc= 0.486 USER MOD Single : B 65 GLN : amide:sc= -0.257 K(o=-0.26,f=-4.2!) USER MOD Single : B 70 TYR OH : rot 13:sc=0.000353 USER MOD Single : B 74 LYS NZ :NH3+ 173:sc= 0.734 (180deg=0.709) USER MOD Single : B 77 TYR OH : rot 122:sc= 1.27 USER MOD Single : B 78 GLN : amide:sc= -0.126 K(o=-0.13,f=-0.78) USER MOD Single : B 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 85 LYS NZ :NH3+ 166:sc= -0.0132 (180deg=-0.173) USER MOD Single : B 86 LYS NZ :NH3+ 168:sc= -0.0343 (180deg=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.960 -6.379 -8.463 1.00 0.23 N ATOM 2 CA GLY A 1 28.569 -5.097 -8.887 1.00 0.52 C ATOM 3 C GLY A 1 27.550 -4.169 -9.510 1.00 0.32 C ATOM 4 O GLY A 1 26.584 -4.624 -10.128 1.00 0.19 O ATOM 0 H1 GLY A 1 28.543 -7.170 -8.803 1.00 0.23 H new ATOM 0 H2 GLY A 1 27.905 -6.411 -7.425 1.00 0.23 H new ATOM 0 H3 GLY A 1 27.003 -6.458 -8.863 1.00 0.23 H new ATOM 0 HA2 GLY A 1 29.026 -4.609 -8.026 1.00 0.52 H new ATOM 0 HA3 GLY A 1 29.367 -5.293 -9.603 1.00 0.52 H new ATOM 10 N SER A 2 27.762 -2.871 -9.352 1.00 0.42 N ATOM 11 CA SER A 2 26.850 -1.872 -9.892 1.00 0.34 C ATOM 12 C SER A 2 27.022 -1.733 -11.402 1.00 0.28 C ATOM 13 O SER A 2 26.054 -1.862 -12.157 1.00 0.53 O ATOM 14 CB SER A 2 27.104 -0.533 -9.201 1.00 0.58 C ATOM 15 OG SER A 2 27.930 -0.708 -8.058 1.00 0.54 O ATOM 0 H SER A 2 28.562 -2.483 -8.852 1.00 0.42 H new ATOM 0 HA SER A 2 25.825 -2.191 -9.703 1.00 0.34 H new ATOM 0 HB2 SER A 2 27.580 0.157 -9.898 1.00 0.58 H new ATOM 0 HB3 SER A 2 26.155 -0.085 -8.906 1.00 0.58 H new ATOM 0 HG SER A 2 28.083 0.160 -7.629 1.00 0.54 H new ATOM 21 N HIS A 3 28.259 -1.475 -11.830 1.00 0.18 N ATOM 22 CA HIS A 3 28.585 -1.301 -13.247 1.00 0.13 C ATOM 23 C HIS A 3 27.762 -0.169 -13.853 1.00 0.16 C ATOM 24 O HIS A 3 27.287 -0.267 -14.985 1.00 0.31 O ATOM 25 CB HIS A 3 28.354 -2.602 -14.028 1.00 0.26 C ATOM 26 CG HIS A 3 29.552 -3.495 -14.084 1.00 0.54 C ATOM 27 ND1 HIS A 3 29.873 -4.251 -15.188 1.00 1.06 N ATOM 28 CD2 HIS A 3 30.505 -3.758 -13.161 1.00 1.49 C ATOM 29 CE1 HIS A 3 30.971 -4.940 -14.943 1.00 1.02 C ATOM 30 NE2 HIS A 3 31.375 -4.657 -13.721 1.00 1.41 N ATOM 0 H HIS A 3 29.061 -1.381 -11.207 1.00 0.18 H new ATOM 0 HA HIS A 3 29.641 -1.042 -13.318 1.00 0.13 H new ATOM 0 HB2 HIS A 3 27.528 -3.147 -13.571 1.00 0.26 H new ATOM 0 HB3 HIS A 3 28.049 -2.355 -15.045 1.00 0.26 H new ATOM 0 HD2 HIS A 3 30.569 -3.338 -12.168 1.00 1.49 H new ATOM 0 HE1 HIS A 3 31.456 -5.620 -15.627 1.00 1.02 H new ATOM 0 HE2 HIS A 3 32.201 -5.044 -13.266 1.00 1.41 H new ATOM 39 N MET A 4 27.612 0.912 -13.095 1.00 0.20 N ATOM 40 CA MET A 4 26.838 2.063 -13.544 1.00 0.25 C ATOM 41 C MET A 4 27.449 3.357 -13.031 1.00 0.20 C ATOM 42 O MET A 4 27.936 3.419 -11.901 1.00 0.30 O ATOM 43 CB MET A 4 25.390 1.957 -13.061 1.00 0.37 C ATOM 44 CG MET A 4 24.455 1.299 -14.058 1.00 0.43 C ATOM 45 SD MET A 4 22.718 1.601 -13.677 1.00 0.28 S ATOM 46 CE MET A 4 22.614 3.364 -13.986 1.00 0.33 C ATOM 0 H MET A 4 28.017 1.015 -12.165 1.00 0.20 H new ATOM 0 HA MET A 4 26.853 2.072 -14.634 1.00 0.25 H new ATOM 0 HB2 MET A 4 25.369 1.391 -12.130 1.00 0.37 H new ATOM 0 HB3 MET A 4 25.019 2.957 -12.835 1.00 0.37 H new ATOM 0 HG2 MET A 4 24.675 1.672 -15.058 1.00 0.43 H new ATOM 0 HG3 MET A 4 24.640 0.225 -14.071 1.00 0.43 H new ATOM 0 HE1 MET A 4 21.571 3.679 -13.951 1.00 0.33 H new ATOM 0 HE2 MET A 4 23.181 3.901 -13.225 1.00 0.33 H new ATOM 0 HE3 MET A 4 23.027 3.586 -14.970 1.00 0.33 H new ATOM 56 N THR A 5 27.427 4.383 -13.872 1.00 0.32 N ATOM 57 CA THR A 5 27.963 5.685 -13.511 1.00 0.34 C ATOM 58 C THR A 5 26.931 6.494 -12.736 1.00 0.34 C ATOM 59 O THR A 5 27.225 7.055 -11.680 1.00 0.37 O ATOM 60 CB THR A 5 28.378 6.471 -14.768 1.00 0.36 C ATOM 61 OG1 THR A 5 28.778 5.561 -15.804 1.00 0.33 O ATOM 62 CG2 THR A 5 29.518 7.426 -14.450 1.00 0.54 C ATOM 0 H THR A 5 27.040 4.336 -14.815 1.00 0.32 H new ATOM 0 HA THR A 5 28.839 5.520 -12.884 1.00 0.34 H new ATOM 0 HB THR A 5 27.523 7.053 -15.111 1.00 0.36 H new ATOM 0 HG1 THR A 5 29.039 6.067 -16.601 1.00 0.33 H new ATOM 0 HG21 THR A 5 29.797 7.972 -15.351 1.00 0.54 H new ATOM 0 HG22 THR A 5 29.199 8.131 -13.682 1.00 0.54 H new ATOM 0 HG23 THR A 5 30.377 6.860 -14.088 1.00 0.54 H new ATOM 70 N GLU A 6 25.718 6.533 -13.266 1.00 0.35 N ATOM 71 CA GLU A 6 24.626 7.265 -12.644 1.00 0.39 C ATOM 72 C GLU A 6 24.003 6.425 -11.533 1.00 0.32 C ATOM 73 O GLU A 6 24.087 5.196 -11.559 1.00 0.30 O ATOM 74 CB GLU A 6 23.572 7.622 -13.701 1.00 0.52 C ATOM 75 CG GLU A 6 22.409 8.444 -13.168 1.00 0.53 C ATOM 76 CD GLU A 6 22.852 9.727 -12.496 1.00 1.16 C ATOM 77 OE1 GLU A 6 23.012 10.744 -13.197 1.00 1.64 O ATOM 78 OE2 GLU A 6 23.044 9.727 -11.262 1.00 1.31 O1- ATOM 0 H GLU A 6 25.464 6.061 -14.134 1.00 0.35 H new ATOM 0 HA GLU A 6 25.012 8.187 -12.208 1.00 0.39 H new ATOM 0 HB2 GLU A 6 24.054 8.175 -14.507 1.00 0.52 H new ATOM 0 HB3 GLU A 6 23.183 6.701 -14.135 1.00 0.52 H new ATOM 0 HG2 GLU A 6 21.734 8.685 -13.990 1.00 0.53 H new ATOM 0 HG3 GLU A 6 21.843 7.844 -12.456 1.00 0.53 H new ATOM 85 N GLN A 7 23.387 7.084 -10.562 1.00 0.30 N ATOM 86 CA GLN A 7 22.755 6.388 -9.456 1.00 0.25 C ATOM 87 C GLN A 7 21.235 6.430 -9.597 1.00 0.23 C ATOM 88 O GLN A 7 20.597 7.446 -9.302 1.00 0.29 O ATOM 89 CB GLN A 7 23.173 6.999 -8.116 1.00 0.29 C ATOM 90 CG GLN A 7 22.890 6.093 -6.925 1.00 0.42 C ATOM 91 CD GLN A 7 23.244 6.736 -5.598 1.00 1.19 C ATOM 92 OE1 GLN A 7 23.150 7.951 -5.438 1.00 1.46 O ATOM 93 NE2 GLN A 7 23.655 5.926 -4.635 1.00 1.77 N ATOM 0 H GLN A 7 23.313 8.100 -10.520 1.00 0.30 H new ATOM 0 HA GLN A 7 23.084 5.349 -9.480 1.00 0.25 H new ATOM 0 HB2 GLN A 7 24.239 7.226 -8.145 1.00 0.29 H new ATOM 0 HB3 GLN A 7 22.649 7.945 -7.977 1.00 0.29 H new ATOM 0 HG2 GLN A 7 21.834 5.824 -6.922 1.00 0.42 H new ATOM 0 HG3 GLN A 7 23.455 5.167 -7.037 1.00 0.42 H new ATOM 0 HE21 GLN A 7 23.720 4.923 -4.806 1.00 1.77 H new ATOM 0 HE22 GLN A 7 23.907 6.305 -3.722 1.00 1.77 H new ATOM 102 N PRO A 8 20.642 5.330 -10.075 1.00 0.18 N ATOM 103 CA PRO A 8 19.199 5.217 -10.248 1.00 0.17 C ATOM 104 C PRO A 8 18.532 4.740 -8.961 1.00 0.19 C ATOM 105 O PRO A 8 19.183 4.683 -7.913 1.00 0.25 O ATOM 106 CB PRO A 8 19.091 4.164 -11.350 1.00 0.18 C ATOM 107 CG PRO A 8 20.244 3.250 -11.101 1.00 0.20 C ATOM 108 CD PRO A 8 21.334 4.092 -10.484 1.00 0.18 C ATOM 0 HA PRO A 8 18.708 6.159 -10.493 1.00 0.17 H new ATOM 0 HB2 PRO A 8 18.142 3.630 -11.299 1.00 0.18 H new ATOM 0 HB3 PRO A 8 19.149 4.617 -12.340 1.00 0.18 H new ATOM 0 HG2 PRO A 8 19.957 2.437 -10.434 1.00 0.20 H new ATOM 0 HG3 PRO A 8 20.585 2.794 -12.030 1.00 0.20 H new ATOM 0 HD2 PRO A 8 21.791 3.590 -9.631 1.00 0.18 H new ATOM 0 HD3 PRO A 8 22.131 4.298 -11.198 1.00 0.18 H new ATOM 116 N LYS A 9 17.242 4.432 -9.030 1.00 0.17 N ATOM 117 CA LYS A 9 16.522 3.930 -7.866 1.00 0.20 C ATOM 118 C LYS A 9 17.245 2.709 -7.287 1.00 0.23 C ATOM 119 O LYS A 9 17.516 1.737 -7.995 1.00 0.30 O ATOM 120 CB LYS A 9 15.079 3.581 -8.246 1.00 0.14 C ATOM 121 CG LYS A 9 14.972 2.535 -9.348 1.00 0.33 C ATOM 122 CD LYS A 9 13.761 2.763 -10.240 1.00 0.76 C ATOM 123 CE LYS A 9 13.665 1.704 -11.328 1.00 1.45 C ATOM 124 NZ LYS A 9 12.679 2.073 -12.378 1.00 2.23 N1+ ATOM 0 H LYS A 9 16.676 4.520 -9.874 1.00 0.17 H new ATOM 0 HA LYS A 9 16.495 4.707 -7.102 1.00 0.20 H new ATOM 0 HB2 LYS A 9 14.557 3.218 -7.361 1.00 0.14 H new ATOM 0 HB3 LYS A 9 14.568 4.488 -8.568 1.00 0.14 H new ATOM 0 HG2 LYS A 9 15.877 2.555 -9.955 1.00 0.33 H new ATOM 0 HG3 LYS A 9 14.910 1.543 -8.900 1.00 0.33 H new ATOM 0 HD2 LYS A 9 12.854 2.749 -9.635 1.00 0.76 H new ATOM 0 HD3 LYS A 9 13.824 3.751 -10.696 1.00 0.76 H new ATOM 0 HE2 LYS A 9 14.645 1.563 -11.784 1.00 1.45 H new ATOM 0 HE3 LYS A 9 13.381 0.751 -10.882 1.00 1.45 H new ATOM 0 HZ1 LYS A 9 12.644 1.325 -13.100 1.00 2.23 H new ATOM 0 HZ2 LYS A 9 11.739 2.183 -11.948 1.00 2.23 H new ATOM 0 HZ3 LYS A 9 12.964 2.970 -12.822 1.00 2.23 H new ATOM 138 N THR A 10 17.586 2.776 -6.010 1.00 0.30 N ATOM 139 CA THR A 10 18.301 1.694 -5.357 1.00 0.36 C ATOM 140 C THR A 10 17.339 0.628 -4.834 1.00 0.30 C ATOM 141 O THR A 10 16.147 0.887 -4.653 1.00 0.27 O ATOM 142 CB THR A 10 19.181 2.233 -4.201 1.00 0.49 C ATOM 143 OG1 THR A 10 20.232 1.302 -3.904 1.00 0.62 O ATOM 144 CG2 THR A 10 18.358 2.494 -2.946 1.00 0.60 C ATOM 0 H THR A 10 17.378 3.570 -5.405 1.00 0.30 H new ATOM 0 HA THR A 10 18.948 1.232 -6.103 1.00 0.36 H new ATOM 0 HB THR A 10 19.612 3.179 -4.528 1.00 0.49 H new ATOM 0 HG1 THR A 10 20.783 1.653 -3.174 1.00 0.62 H new ATOM 0 HG21 THR A 10 19.008 2.871 -2.156 1.00 0.60 H new ATOM 0 HG22 THR A 10 17.586 3.232 -3.164 1.00 0.60 H new ATOM 0 HG23 THR A 10 17.890 1.566 -2.618 1.00 0.60 H new ATOM 152 N ARG A 11 17.860 -0.569 -4.609 1.00 0.30 N ATOM 153 CA ARG A 11 17.059 -1.673 -4.106 1.00 0.26 C ATOM 154 C ARG A 11 17.575 -2.105 -2.738 1.00 0.21 C ATOM 155 O ARG A 11 18.755 -2.415 -2.582 1.00 0.22 O ATOM 156 CB ARG A 11 17.077 -2.853 -5.084 1.00 0.32 C ATOM 157 CG ARG A 11 16.340 -2.571 -6.386 1.00 0.40 C ATOM 158 CD ARG A 11 16.016 -3.849 -7.147 1.00 0.55 C ATOM 159 NE ARG A 11 17.222 -4.589 -7.526 1.00 0.68 N ATOM 160 CZ ARG A 11 17.635 -4.765 -8.785 1.00 1.07 C ATOM 161 NH1 ARG A 11 16.944 -4.252 -9.797 1.00 1.36 N1+ ATOM 162 NH2 ARG A 11 18.742 -5.462 -9.027 1.00 1.17 N ATOM 0 H ARG A 11 18.841 -0.800 -4.768 1.00 0.30 H new ATOM 0 HA ARG A 11 16.027 -1.337 -4.007 1.00 0.26 H new ATOM 0 HB2 ARG A 11 18.111 -3.112 -5.310 1.00 0.32 H new ATOM 0 HB3 ARG A 11 16.628 -3.722 -4.602 1.00 0.32 H new ATOM 0 HG2 ARG A 11 15.417 -2.033 -6.171 1.00 0.40 H new ATOM 0 HG3 ARG A 11 16.949 -1.920 -7.013 1.00 0.40 H new ATOM 0 HD2 ARG A 11 15.380 -4.485 -6.531 1.00 0.55 H new ATOM 0 HD3 ARG A 11 15.447 -3.602 -8.043 1.00 0.55 H new ATOM 0 HE ARG A 11 17.784 -4.997 -6.779 1.00 0.68 H new ATOM 0 HH11 ARG A 11 16.093 -3.720 -9.616 1.00 1.36 H new ATOM 0 HH12 ARG A 11 17.265 -4.390 -10.755 1.00 1.36 H new ATOM 0 HH21 ARG A 11 19.273 -5.861 -8.253 1.00 1.17 H new ATOM 0 HH22 ARG A 11 19.060 -5.598 -9.987 1.00 1.17 H new ATOM 176 N VAL A 12 16.689 -2.128 -1.755 1.00 0.16 N ATOM 177 CA VAL A 12 17.056 -2.502 -0.398 1.00 0.12 C ATOM 178 C VAL A 12 16.396 -3.822 -0.002 1.00 0.14 C ATOM 179 O VAL A 12 15.293 -4.138 -0.453 1.00 0.18 O ATOM 180 CB VAL A 12 16.665 -1.395 0.614 1.00 0.09 C ATOM 181 CG1 VAL A 12 15.153 -1.209 0.670 1.00 0.08 C ATOM 182 CG2 VAL A 12 17.226 -1.696 2.000 1.00 0.12 C ATOM 0 H VAL A 12 15.704 -1.890 -1.873 1.00 0.16 H new ATOM 0 HA VAL A 12 18.139 -2.626 -0.374 1.00 0.12 H new ATOM 0 HB VAL A 12 17.105 -0.460 0.268 1.00 0.09 H new ATOM 0 HG11 VAL A 12 14.909 -0.426 1.388 1.00 0.08 H new ATOM 0 HG12 VAL A 12 14.785 -0.925 -0.316 1.00 0.08 H new ATOM 0 HG13 VAL A 12 14.683 -2.143 0.978 1.00 0.08 H new ATOM 0 HG21 VAL A 12 16.936 -0.903 2.690 1.00 0.12 H new ATOM 0 HG22 VAL A 12 16.830 -2.648 2.354 1.00 0.12 H new ATOM 0 HG23 VAL A 12 18.313 -1.752 1.948 1.00 0.12 H new ATOM 192 N SER A 13 17.087 -4.598 0.816 1.00 0.14 N ATOM 193 CA SER A 13 16.570 -5.869 1.283 1.00 0.17 C ATOM 194 C SER A 13 15.990 -5.716 2.688 1.00 0.12 C ATOM 195 O SER A 13 16.718 -5.424 3.640 1.00 0.15 O ATOM 196 CB SER A 13 17.687 -6.911 1.276 1.00 0.25 C ATOM 197 OG SER A 13 18.773 -6.485 0.460 1.00 0.56 O ATOM 0 H SER A 13 18.014 -4.366 1.171 1.00 0.14 H new ATOM 0 HA SER A 13 15.774 -6.201 0.616 1.00 0.17 H new ATOM 0 HB2 SER A 13 18.037 -7.082 2.294 1.00 0.25 H new ATOM 0 HB3 SER A 13 17.301 -7.862 0.908 1.00 0.25 H new ATOM 0 HG SER A 13 19.477 -7.166 0.471 1.00 0.56 H new ATOM 203 N VAL A 14 14.680 -5.899 2.813 1.00 0.06 N ATOM 204 CA VAL A 14 14.008 -5.773 4.101 1.00 0.08 C ATOM 205 C VAL A 14 13.398 -7.104 4.517 1.00 0.08 C ATOM 206 O VAL A 14 13.172 -7.975 3.682 1.00 0.12 O ATOM 207 CB VAL A 14 12.903 -4.690 4.087 1.00 0.09 C ATOM 208 CG1 VAL A 14 13.514 -3.302 3.968 1.00 0.10 C ATOM 209 CG2 VAL A 14 11.901 -4.939 2.966 1.00 0.09 C ATOM 0 H VAL A 14 14.062 -6.135 2.037 1.00 0.06 H new ATOM 0 HA VAL A 14 14.768 -5.470 4.821 1.00 0.08 H new ATOM 0 HB VAL A 14 12.364 -4.748 5.033 1.00 0.09 H new ATOM 0 HG11 VAL A 14 12.721 -2.555 3.960 1.00 0.10 H new ATOM 0 HG12 VAL A 14 14.174 -3.121 4.816 1.00 0.10 H new ATOM 0 HG13 VAL A 14 14.086 -3.234 3.042 1.00 0.10 H new ATOM 0 HG21 VAL A 14 11.137 -4.162 2.982 1.00 0.09 H new ATOM 0 HG22 VAL A 14 12.417 -4.921 2.006 1.00 0.09 H new ATOM 0 HG23 VAL A 14 11.431 -5.912 3.107 1.00 0.09 H new ATOM 219 N ARG A 15 13.139 -7.262 5.804 1.00 0.05 N ATOM 220 CA ARG A 15 12.561 -8.495 6.311 1.00 0.05 C ATOM 221 C ARG A 15 11.112 -8.280 6.745 1.00 0.04 C ATOM 222 O ARG A 15 10.828 -7.418 7.576 1.00 0.07 O ATOM 223 CB ARG A 15 13.393 -9.032 7.478 1.00 0.06 C ATOM 224 CG ARG A 15 13.044 -10.458 7.872 1.00 0.06 C ATOM 225 CD ARG A 15 14.183 -11.131 8.621 1.00 0.11 C ATOM 226 NE ARG A 15 15.410 -11.176 7.826 1.00 0.16 N ATOM 227 CZ ARG A 15 15.789 -12.220 7.088 1.00 0.20 C ATOM 228 NH1 ARG A 15 15.039 -13.313 7.026 1.00 0.20 N1+ ATOM 229 NH2 ARG A 15 16.924 -12.168 6.407 1.00 0.26 N ATOM 0 H ARG A 15 13.319 -6.554 6.515 1.00 0.05 H new ATOM 0 HA ARG A 15 12.569 -9.231 5.507 1.00 0.05 H new ATOM 0 HB2 ARG A 15 14.449 -8.986 7.211 1.00 0.06 H new ATOM 0 HB3 ARG A 15 13.254 -8.381 8.341 1.00 0.06 H new ATOM 0 HG2 ARG A 15 12.150 -10.454 8.496 1.00 0.06 H new ATOM 0 HG3 ARG A 15 12.806 -11.034 6.978 1.00 0.06 H new ATOM 0 HD2 ARG A 15 14.373 -10.594 9.551 1.00 0.11 H new ATOM 0 HD3 ARG A 15 13.889 -12.145 8.892 1.00 0.11 H new ATOM 0 HE ARG A 15 16.015 -10.355 7.837 1.00 0.16 H new ATOM 0 HH11 ARG A 15 14.163 -13.360 7.546 1.00 0.20 H new ATOM 0 HH12 ARG A 15 15.339 -14.106 6.458 1.00 0.20 H new ATOM 0 HH21 ARG A 15 17.505 -11.331 6.448 1.00 0.26 H new ATOM 0 HH22 ARG A 15 17.217 -12.965 5.842 1.00 0.26 H new ATOM 243 N ILE A 16 10.203 -9.051 6.160 1.00 0.03 N ATOM 244 CA ILE A 16 8.786 -8.959 6.487 1.00 0.04 C ATOM 245 C ILE A 16 8.225 -10.351 6.757 1.00 0.04 C ATOM 246 O ILE A 16 8.391 -11.259 5.940 1.00 0.04 O ATOM 247 CB ILE A 16 7.970 -8.296 5.354 1.00 0.05 C ATOM 248 CG1 ILE A 16 8.733 -7.107 4.763 1.00 0.08 C ATOM 249 CG2 ILE A 16 6.614 -7.846 5.882 1.00 0.06 C ATOM 250 CD1 ILE A 16 8.292 -6.741 3.363 1.00 0.07 C ATOM 0 H ILE A 16 10.425 -9.751 5.452 1.00 0.03 H new ATOM 0 HA ILE A 16 8.699 -8.335 7.377 1.00 0.04 H new ATOM 0 HB ILE A 16 7.815 -9.029 4.563 1.00 0.05 H new ATOM 0 HG12 ILE A 16 8.603 -6.242 5.414 1.00 0.08 H new ATOM 0 HG13 ILE A 16 9.798 -7.339 4.751 1.00 0.08 H new ATOM 0 HG21 ILE A 16 6.046 -7.380 5.077 1.00 0.06 H new ATOM 0 HG22 ILE A 16 6.066 -8.709 6.260 1.00 0.06 H new ATOM 0 HG23 ILE A 16 6.758 -7.126 6.688 1.00 0.06 H new ATOM 0 HD11 ILE A 16 8.875 -5.891 3.008 1.00 0.07 H new ATOM 0 HD12 ILE A 16 8.448 -7.591 2.698 1.00 0.07 H new ATOM 0 HD13 ILE A 16 7.234 -6.477 3.372 1.00 0.07 H new ATOM 262 N TYR A 17 7.606 -10.517 7.925 1.00 0.08 N ATOM 263 CA TYR A 17 7.013 -11.793 8.337 1.00 0.11 C ATOM 264 C TYR A 17 8.084 -12.874 8.495 1.00 0.19 C ATOM 265 O TYR A 17 7.785 -14.069 8.509 1.00 0.56 O ATOM 266 CB TYR A 17 5.934 -12.239 7.338 1.00 0.04 C ATOM 267 CG TYR A 17 4.734 -12.919 7.971 1.00 0.09 C ATOM 268 CD1 TYR A 17 4.049 -12.330 9.030 1.00 0.08 C ATOM 269 CD2 TYR A 17 4.276 -14.145 7.501 1.00 0.18 C ATOM 270 CE1 TYR A 17 2.946 -12.943 9.600 1.00 0.12 C ATOM 271 CE2 TYR A 17 3.174 -14.763 8.064 1.00 0.23 C ATOM 272 CZ TYR A 17 2.513 -14.158 9.112 1.00 0.20 C ATOM 273 OH TYR A 17 1.412 -14.774 9.675 1.00 0.25 O ATOM 0 H TYR A 17 7.500 -9.772 8.614 1.00 0.08 H new ATOM 0 HA TYR A 17 6.541 -11.645 9.308 1.00 0.11 H new ATOM 0 HB2 TYR A 17 5.590 -11.368 6.781 1.00 0.04 H new ATOM 0 HB3 TYR A 17 6.384 -12.921 6.617 1.00 0.04 H new ATOM 0 HD1 TYR A 17 4.384 -11.378 9.414 1.00 0.08 H new ATOM 0 HD2 TYR A 17 4.790 -14.624 6.681 1.00 0.18 H new ATOM 0 HE1 TYR A 17 2.428 -12.472 10.422 1.00 0.12 H new ATOM 0 HE2 TYR A 17 2.833 -15.715 7.685 1.00 0.23 H new ATOM 0 HH TYR A 17 0.668 -14.138 9.718 1.00 0.25 H new ATOM 283 N GLY A 18 9.336 -12.443 8.609 1.00 0.18 N ATOM 284 CA GLY A 18 10.431 -13.377 8.782 1.00 0.13 C ATOM 285 C GLY A 18 11.257 -13.592 7.528 1.00 0.05 C ATOM 286 O GLY A 18 12.409 -14.015 7.611 1.00 0.11 O ATOM 0 H GLY A 18 9.611 -11.461 8.584 1.00 0.18 H new ATOM 0 HA2 GLY A 18 11.083 -13.015 9.577 1.00 0.13 H new ATOM 0 HA3 GLY A 18 10.030 -14.336 9.110 1.00 0.13 H new ATOM 290 N GLN A 19 10.688 -13.297 6.369 1.00 0.05 N ATOM 291 CA GLN A 19 11.393 -13.477 5.101 1.00 0.10 C ATOM 292 C GLN A 19 12.030 -12.177 4.631 1.00 0.05 C ATOM 293 O GLN A 19 11.611 -11.093 5.030 1.00 0.08 O ATOM 294 CB GLN A 19 10.433 -13.989 4.029 1.00 0.19 C ATOM 295 CG GLN A 19 10.350 -15.500 3.944 1.00 0.14 C ATOM 296 CD GLN A 19 11.662 -16.126 3.523 1.00 0.49 C ATOM 297 OE1 GLN A 19 11.949 -16.248 2.330 1.00 0.68 O ATOM 298 NE2 GLN A 19 12.458 -16.543 4.490 1.00 0.67 N ATOM 0 H GLN A 19 9.740 -12.932 6.276 1.00 0.05 H new ATOM 0 HA GLN A 19 12.183 -14.210 5.265 1.00 0.10 H new ATOM 0 HB2 GLN A 19 9.438 -13.592 4.228 1.00 0.19 H new ATOM 0 HB3 GLN A 19 10.745 -13.598 3.061 1.00 0.19 H new ATOM 0 HG2 GLN A 19 10.054 -15.900 4.914 1.00 0.14 H new ATOM 0 HG3 GLN A 19 9.572 -15.779 3.233 1.00 0.14 H new ATOM 0 HE21 GLN A 19 12.183 -16.423 5.465 1.00 0.67 H new ATOM 0 HE22 GLN A 19 13.348 -16.985 4.262 1.00 0.67 H new ATOM 307 N ASP A 20 13.042 -12.289 3.780 1.00 0.12 N ATOM 308 CA ASP A 20 13.727 -11.114 3.247 1.00 0.10 C ATOM 309 C ASP A 20 13.260 -10.838 1.819 1.00 0.09 C ATOM 310 O ASP A 20 13.029 -11.764 1.040 1.00 0.10 O ATOM 311 CB ASP A 20 15.255 -11.300 3.312 1.00 0.17 C ATOM 312 CG ASP A 20 15.907 -11.539 1.959 1.00 0.39 C ATOM 313 OD1 ASP A 20 15.918 -12.702 1.494 1.00 0.49 O1- ATOM 314 OD2 ASP A 20 16.438 -10.575 1.370 1.00 0.55 O ATOM 0 H ASP A 20 13.408 -13.180 3.443 1.00 0.12 H new ATOM 0 HA ASP A 20 13.475 -10.249 3.860 1.00 0.10 H new ATOM 0 HB2 ASP A 20 15.699 -10.415 3.767 1.00 0.17 H new ATOM 0 HB3 ASP A 20 15.481 -12.142 3.966 1.00 0.17 H new ATOM 319 N TYR A 21 13.074 -9.563 1.500 1.00 0.07 N ATOM 320 CA TYR A 21 12.620 -9.157 0.176 1.00 0.07 C ATOM 321 C TYR A 21 13.418 -7.966 -0.340 1.00 0.07 C ATOM 322 O TYR A 21 13.688 -7.022 0.404 1.00 0.16 O ATOM 323 CB TYR A 21 11.135 -8.773 0.215 1.00 0.05 C ATOM 324 CG TYR A 21 10.251 -9.805 0.874 1.00 0.07 C ATOM 325 CD1 TYR A 21 9.671 -10.825 0.134 1.00 0.05 C ATOM 326 CD2 TYR A 21 10.006 -9.764 2.240 1.00 0.15 C ATOM 327 CE1 TYR A 21 8.873 -11.776 0.735 1.00 0.08 C ATOM 328 CE2 TYR A 21 9.209 -10.712 2.848 1.00 0.17 C ATOM 329 CZ TYR A 21 8.646 -11.716 2.093 1.00 0.12 C ATOM 330 OH TYR A 21 7.852 -12.661 2.702 1.00 0.15 O ATOM 0 H TYR A 21 13.232 -8.788 2.145 1.00 0.07 H new ATOM 0 HA TYR A 21 12.769 -10.004 -0.493 1.00 0.07 H new ATOM 0 HB2 TYR A 21 11.029 -7.827 0.745 1.00 0.05 H new ATOM 0 HB3 TYR A 21 10.786 -8.608 -0.804 1.00 0.05 H new ATOM 0 HD1 TYR A 21 9.847 -10.875 -0.930 1.00 0.05 H new ATOM 0 HD2 TYR A 21 10.446 -8.978 2.836 1.00 0.15 H new ATOM 0 HE1 TYR A 21 8.428 -12.563 0.145 1.00 0.08 H new ATOM 0 HE2 TYR A 21 9.028 -10.667 3.912 1.00 0.17 H new ATOM 0 HH TYR A 21 7.407 -12.263 3.479 1.00 0.15 H new ATOM 340 N THR A 22 13.794 -8.016 -1.611 1.00 0.19 N ATOM 341 CA THR A 22 14.532 -6.928 -2.234 1.00 0.20 C ATOM 342 C THR A 22 13.565 -6.000 -2.965 1.00 0.21 C ATOM 343 O THR A 22 12.995 -6.367 -3.995 1.00 0.38 O ATOM 344 CB THR A 22 15.586 -7.454 -3.224 1.00 0.25 C ATOM 345 OG1 THR A 22 15.658 -8.885 -3.152 1.00 0.19 O ATOM 346 CG2 THR A 22 16.954 -6.857 -2.927 1.00 0.32 C ATOM 0 H THR A 22 13.599 -8.802 -2.232 1.00 0.19 H new ATOM 0 HA THR A 22 15.049 -6.381 -1.446 1.00 0.20 H new ATOM 0 HB THR A 22 15.287 -7.156 -4.229 1.00 0.25 H new ATOM 0 HG1 THR A 22 16.330 -9.211 -3.787 1.00 0.19 H new ATOM 0 HG21 THR A 22 17.682 -7.244 -3.640 1.00 0.32 H new ATOM 0 HG22 THR A 22 16.904 -5.772 -3.013 1.00 0.32 H new ATOM 0 HG23 THR A 22 17.257 -7.128 -1.916 1.00 0.32 H new ATOM 354 N ILE A 23 13.385 -4.801 -2.432 1.00 0.16 N ATOM 355 CA ILE A 23 12.462 -3.832 -3.011 1.00 0.16 C ATOM 356 C ILE A 23 13.171 -2.529 -3.356 1.00 0.15 C ATOM 357 O ILE A 23 14.319 -2.322 -2.979 1.00 0.13 O ATOM 358 CB ILE A 23 11.298 -3.522 -2.044 1.00 0.17 C ATOM 359 CG1 ILE A 23 11.845 -3.070 -0.685 1.00 0.05 C ATOM 360 CG2 ILE A 23 10.399 -4.742 -1.892 1.00 0.31 C ATOM 361 CD1 ILE A 23 10.792 -2.519 0.249 1.00 0.06 C ATOM 0 H ILE A 23 13.868 -4.473 -1.595 1.00 0.16 H new ATOM 0 HA ILE A 23 12.067 -4.280 -3.923 1.00 0.16 H new ATOM 0 HB ILE A 23 10.700 -2.710 -2.458 1.00 0.17 H new ATOM 0 HG12 ILE A 23 12.337 -3.915 -0.203 1.00 0.05 H new ATOM 0 HG13 ILE A 23 12.607 -2.308 -0.847 1.00 0.05 H new ATOM 0 HG21 ILE A 23 9.583 -4.510 -1.208 1.00 0.31 H new ATOM 0 HG22 ILE A 23 9.990 -5.016 -2.865 1.00 0.31 H new ATOM 0 HG23 ILE A 23 10.980 -5.575 -1.495 1.00 0.31 H new ATOM 0 HD11 ILE A 23 11.258 -2.222 1.188 1.00 0.06 H new ATOM 0 HD12 ILE A 23 10.316 -1.653 -0.210 1.00 0.06 H new ATOM 0 HD13 ILE A 23 10.041 -3.285 0.443 1.00 0.06 H new ATOM 373 N VAL A 24 12.474 -1.658 -4.069 1.00 0.16 N ATOM 374 CA VAL A 24 13.028 -0.370 -4.462 1.00 0.15 C ATOM 375 C VAL A 24 12.932 0.613 -3.301 1.00 0.15 C ATOM 376 O VAL A 24 11.867 0.775 -2.706 1.00 0.15 O ATOM 377 CB VAL A 24 12.291 0.211 -5.689 1.00 0.17 C ATOM 378 CG1 VAL A 24 12.910 1.535 -6.115 1.00 0.17 C ATOM 379 CG2 VAL A 24 12.303 -0.783 -6.843 1.00 0.18 C ATOM 0 H VAL A 24 11.519 -1.820 -4.389 1.00 0.16 H new ATOM 0 HA VAL A 24 14.073 -0.525 -4.731 1.00 0.15 H new ATOM 0 HB VAL A 24 11.255 0.396 -5.406 1.00 0.17 H new ATOM 0 HG11 VAL A 24 12.375 1.925 -6.981 1.00 0.17 H new ATOM 0 HG12 VAL A 24 12.842 2.249 -5.294 1.00 0.17 H new ATOM 0 HG13 VAL A 24 13.957 1.380 -6.375 1.00 0.17 H new ATOM 0 HG21 VAL A 24 11.779 -0.355 -7.697 1.00 0.18 H new ATOM 0 HG22 VAL A 24 13.333 -1.004 -7.122 1.00 0.18 H new ATOM 0 HG23 VAL A 24 11.805 -1.703 -6.536 1.00 0.18 H new ATOM 389 N GLY A 25 14.041 1.265 -2.980 1.00 0.14 N ATOM 390 CA GLY A 25 14.050 2.201 -1.877 1.00 0.13 C ATOM 391 C GLY A 25 14.510 3.586 -2.277 1.00 0.11 C ATOM 392 O GLY A 25 15.615 4.003 -1.935 1.00 0.08 O ATOM 0 H GLY A 25 14.933 1.162 -3.464 1.00 0.14 H new ATOM 0 HA2 GLY A 25 13.047 2.266 -1.455 1.00 0.13 H new ATOM 0 HA3 GLY A 25 14.703 1.821 -1.091 1.00 0.13 H new ATOM 396 N ALA A 26 13.659 4.309 -2.991 1.00 0.15 N ATOM 397 CA ALA A 26 13.982 5.668 -3.423 1.00 0.17 C ATOM 398 C ALA A 26 13.645 6.671 -2.317 1.00 0.12 C ATOM 399 O ALA A 26 13.566 7.877 -2.546 1.00 0.19 O ATOM 400 CB ALA A 26 13.229 6.007 -4.704 1.00 0.27 C ATOM 0 H ALA A 26 12.739 3.980 -3.285 1.00 0.15 H new ATOM 0 HA ALA A 26 15.051 5.727 -3.626 1.00 0.17 H new ATOM 0 HB1 ALA A 26 13.478 7.022 -5.015 1.00 0.27 H new ATOM 0 HB2 ALA A 26 13.513 5.307 -5.489 1.00 0.27 H new ATOM 0 HB3 ALA A 26 12.156 5.936 -4.525 1.00 0.27 H new ATOM 406 N GLU A 27 13.464 6.144 -1.116 1.00 0.11 N ATOM 407 CA GLU A 27 13.128 6.943 0.050 1.00 0.05 C ATOM 408 C GLU A 27 14.354 7.104 0.945 1.00 0.10 C ATOM 409 O GLU A 27 15.464 6.726 0.563 1.00 0.20 O ATOM 410 CB GLU A 27 12.007 6.245 0.822 1.00 0.11 C ATOM 411 CG GLU A 27 11.018 7.175 1.489 1.00 0.78 C ATOM 412 CD GLU A 27 9.812 6.427 2.018 1.00 1.22 C ATOM 413 OE1 GLU A 27 9.997 5.460 2.789 1.00 1.58 O1- ATOM 414 OE2 GLU A 27 8.678 6.804 1.676 1.00 1.46 O ATOM 0 H GLU A 27 13.547 5.146 -0.923 1.00 0.11 H new ATOM 0 HA GLU A 27 12.797 7.932 -0.267 1.00 0.05 H new ATOM 0 HB2 GLU A 27 11.465 5.593 0.137 1.00 0.11 H new ATOM 0 HB3 GLU A 27 12.454 5.606 1.584 1.00 0.11 H new ATOM 0 HG2 GLU A 27 11.508 7.700 2.309 1.00 0.78 H new ATOM 0 HG3 GLU A 27 10.692 7.932 0.775 1.00 0.78 H new ATOM 421 N SER A 28 14.154 7.666 2.126 1.00 0.11 N ATOM 422 CA SER A 28 15.236 7.858 3.077 1.00 0.17 C ATOM 423 C SER A 28 15.685 6.510 3.644 1.00 0.18 C ATOM 424 O SER A 28 14.859 5.617 3.850 1.00 0.15 O ATOM 425 CB SER A 28 14.771 8.782 4.196 1.00 0.18 C ATOM 426 OG SER A 28 13.541 9.400 3.850 1.00 0.26 O ATOM 0 H SER A 28 13.246 7.999 2.450 1.00 0.11 H new ATOM 0 HA SER A 28 16.086 8.315 2.571 1.00 0.17 H new ATOM 0 HB2 SER A 28 14.653 8.214 5.119 1.00 0.18 H new ATOM 0 HB3 SER A 28 15.527 9.544 4.385 1.00 0.18 H new ATOM 0 HG SER A 28 13.254 9.989 4.579 1.00 0.26 H new ATOM 432 N PRO A 29 16.994 6.351 3.912 1.00 0.23 N ATOM 433 CA PRO A 29 17.568 5.099 4.437 1.00 0.26 C ATOM 434 C PRO A 29 16.897 4.599 5.717 1.00 0.28 C ATOM 435 O PRO A 29 16.793 3.394 5.939 1.00 0.34 O ATOM 436 CB PRO A 29 19.037 5.453 4.710 1.00 0.31 C ATOM 437 CG PRO A 29 19.101 6.943 4.673 1.00 0.31 C ATOM 438 CD PRO A 29 18.030 7.376 3.717 1.00 0.25 C ATOM 0 HA PRO A 29 17.429 4.285 3.725 1.00 0.26 H new ATOM 0 HB2 PRO A 29 19.360 5.070 5.678 1.00 0.31 H new ATOM 0 HB3 PRO A 29 19.693 5.013 3.959 1.00 0.31 H new ATOM 0 HG2 PRO A 29 18.935 7.366 5.664 1.00 0.31 H new ATOM 0 HG3 PRO A 29 20.082 7.284 4.341 1.00 0.31 H new ATOM 0 HD2 PRO A 29 17.660 8.375 3.948 1.00 0.25 H new ATOM 0 HD3 PRO A 29 18.390 7.399 2.688 1.00 0.25 H new ATOM 446 N ALA A 30 16.443 5.516 6.558 1.00 0.27 N ATOM 447 CA ALA A 30 15.791 5.134 7.803 1.00 0.30 C ATOM 448 C ALA A 30 14.286 4.987 7.610 1.00 0.18 C ATOM 449 O ALA A 30 13.607 4.321 8.391 1.00 0.15 O ATOM 450 CB ALA A 30 16.098 6.152 8.890 1.00 0.41 C ATOM 0 H ALA A 30 16.513 6.522 6.404 1.00 0.27 H new ATOM 0 HA ALA A 30 16.183 4.165 8.112 1.00 0.30 H new ATOM 0 HB1 ALA A 30 15.605 5.856 9.816 1.00 0.41 H new ATOM 0 HB2 ALA A 30 17.175 6.199 9.051 1.00 0.41 H new ATOM 0 HB3 ALA A 30 15.734 7.133 8.583 1.00 0.41 H new ATOM 456 N HIS A 31 13.776 5.593 6.548 1.00 0.13 N ATOM 457 CA HIS A 31 12.350 5.547 6.247 1.00 0.10 C ATOM 458 C HIS A 31 11.971 4.203 5.635 1.00 0.09 C ATOM 459 O HIS A 31 10.987 3.586 6.036 1.00 0.19 O ATOM 460 CB HIS A 31 11.971 6.684 5.294 1.00 0.21 C ATOM 461 CG HIS A 31 10.618 7.280 5.552 1.00 0.05 C ATOM 462 ND1 HIS A 31 9.470 6.838 4.936 1.00 0.28 N ATOM 463 CD2 HIS A 31 10.240 8.316 6.337 1.00 0.12 C ATOM 464 CE1 HIS A 31 8.449 7.571 5.329 1.00 0.41 C ATOM 465 NE2 HIS A 31 8.884 8.481 6.180 1.00 0.32 N ATOM 0 H HIS A 31 14.330 6.125 5.877 1.00 0.13 H new ATOM 0 HA HIS A 31 11.800 5.670 7.180 1.00 0.10 H new ATOM 0 HB2 HIS A 31 12.722 7.471 5.369 1.00 0.21 H new ATOM 0 HB3 HIS A 31 12.001 6.310 4.271 1.00 0.21 H new ATOM 0 HD2 HIS A 31 10.886 8.905 6.971 1.00 0.12 H new ATOM 0 HE1 HIS A 31 7.425 7.448 5.008 1.00 0.41 H new ATOM 0 HE2 HIS A 31 8.311 9.187 6.643 1.00 0.32 H new ATOM 474 N ILE A 32 12.778 3.746 4.680 1.00 0.08 N ATOM 475 CA ILE A 32 12.531 2.469 3.994 1.00 0.20 C ATOM 476 C ILE A 32 12.557 1.279 4.948 1.00 0.27 C ATOM 477 O ILE A 32 12.002 0.223 4.647 1.00 0.36 O ATOM 478 CB ILE A 32 13.535 2.200 2.847 1.00 0.23 C ATOM 479 CG1 ILE A 32 14.970 2.565 3.252 1.00 0.25 C ATOM 480 CG2 ILE A 32 13.115 2.958 1.599 1.00 0.18 C ATOM 481 CD1 ILE A 32 16.030 1.831 2.464 1.00 0.30 C ATOM 0 H ILE A 32 13.612 4.239 4.359 1.00 0.08 H new ATOM 0 HA ILE A 32 11.531 2.572 3.573 1.00 0.20 H new ATOM 0 HB ILE A 32 13.524 1.132 2.632 1.00 0.23 H new ATOM 0 HG12 ILE A 32 15.112 3.638 3.123 1.00 0.25 H new ATOM 0 HG13 ILE A 32 15.104 2.350 4.312 1.00 0.25 H new ATOM 0 HG21 ILE A 32 13.827 2.763 0.798 1.00 0.18 H new ATOM 0 HG22 ILE A 32 12.123 2.629 1.290 1.00 0.18 H new ATOM 0 HG23 ILE A 32 13.093 4.027 1.812 1.00 0.18 H new ATOM 0 HD11 ILE A 32 17.017 2.141 2.806 1.00 0.30 H new ATOM 0 HD12 ILE A 32 15.915 0.757 2.612 1.00 0.30 H new ATOM 0 HD13 ILE A 32 15.923 2.065 1.405 1.00 0.30 H new ATOM 493 N ARG A 33 13.187 1.449 6.097 1.00 0.25 N ATOM 494 CA ARG A 33 13.273 0.373 7.070 1.00 0.32 C ATOM 495 C ARG A 33 11.982 0.248 7.874 1.00 0.34 C ATOM 496 O ARG A 33 11.581 -0.856 8.242 1.00 0.57 O ATOM 497 CB ARG A 33 14.480 0.576 7.988 1.00 0.34 C ATOM 498 CG ARG A 33 15.734 -0.110 7.466 1.00 0.38 C ATOM 499 CD ARG A 33 16.993 0.648 7.846 1.00 0.37 C ATOM 500 NE ARG A 33 17.093 0.854 9.289 1.00 0.36 N ATOM 501 CZ ARG A 33 17.866 1.773 9.858 1.00 0.68 C ATOM 502 NH1 ARG A 33 18.615 2.569 9.103 1.00 1.01 N1+ ATOM 503 NH2 ARG A 33 17.884 1.899 11.177 1.00 0.84 N ATOM 0 H ARG A 33 13.644 2.316 6.379 1.00 0.25 H new ATOM 0 HA ARG A 33 13.411 -0.563 6.529 1.00 0.32 H new ATOM 0 HB2 ARG A 33 14.673 1.643 8.098 1.00 0.34 H new ATOM 0 HB3 ARG A 33 14.246 0.191 8.980 1.00 0.34 H new ATOM 0 HG2 ARG A 33 15.786 -1.123 7.864 1.00 0.38 H new ATOM 0 HG3 ARG A 33 15.676 -0.196 6.381 1.00 0.38 H new ATOM 0 HD2 ARG A 33 17.867 0.098 7.497 1.00 0.37 H new ATOM 0 HD3 ARG A 33 17.001 1.614 7.340 1.00 0.37 H new ATOM 0 HE ARG A 33 16.535 0.255 9.897 1.00 0.36 H new ATOM 0 HH11 ARG A 33 18.596 2.474 8.088 1.00 1.01 H new ATOM 0 HH12 ARG A 33 19.209 3.275 9.539 1.00 1.01 H new ATOM 0 HH21 ARG A 33 17.305 1.291 11.755 1.00 0.84 H new ATOM 0 HH22 ARG A 33 18.477 2.604 11.614 1.00 0.84 H new ATOM 517 N LEU A 34 11.310 1.369 8.121 1.00 0.14 N ATOM 518 CA LEU A 34 10.064 1.336 8.876 1.00 0.15 C ATOM 519 C LEU A 34 8.915 0.892 7.977 1.00 0.16 C ATOM 520 O LEU A 34 7.871 0.458 8.462 1.00 0.17 O ATOM 521 CB LEU A 34 9.760 2.691 9.542 1.00 0.13 C ATOM 522 CG LEU A 34 9.401 3.854 8.608 1.00 0.07 C ATOM 523 CD1 LEU A 34 7.894 3.939 8.396 1.00 0.12 C ATOM 524 CD2 LEU A 34 9.921 5.162 9.182 1.00 0.04 C ATOM 0 H LEU A 34 11.602 2.297 7.815 1.00 0.14 H new ATOM 0 HA LEU A 34 10.178 0.608 9.680 1.00 0.15 H new ATOM 0 HB2 LEU A 34 8.936 2.549 10.241 1.00 0.13 H new ATOM 0 HB3 LEU A 34 10.630 2.983 10.130 1.00 0.13 H new ATOM 0 HG LEU A 34 9.872 3.674 7.642 1.00 0.07 H new ATOM 0 HD11 LEU A 34 7.667 4.772 7.730 1.00 0.12 H new ATOM 0 HD12 LEU A 34 7.536 3.010 7.951 1.00 0.12 H new ATOM 0 HD13 LEU A 34 7.400 4.096 9.355 1.00 0.12 H new ATOM 0 HD21 LEU A 34 9.662 5.982 8.512 1.00 0.04 H new ATOM 0 HD22 LEU A 34 9.470 5.335 10.159 1.00 0.04 H new ATOM 0 HD23 LEU A 34 11.005 5.108 9.287 1.00 0.04 H new ATOM 536 N VAL A 35 9.124 0.996 6.662 1.00 0.16 N ATOM 537 CA VAL A 35 8.117 0.587 5.683 1.00 0.16 C ATOM 538 C VAL A 35 7.728 -0.870 5.909 1.00 0.13 C ATOM 539 O VAL A 35 6.550 -1.213 5.996 1.00 0.12 O ATOM 540 CB VAL A 35 8.637 0.740 4.231 1.00 0.20 C ATOM 541 CG1 VAL A 35 7.592 0.278 3.227 1.00 0.18 C ATOM 542 CG2 VAL A 35 9.048 2.176 3.947 1.00 0.25 C ATOM 0 H VAL A 35 9.984 1.361 6.252 1.00 0.16 H new ATOM 0 HA VAL A 35 7.252 1.236 5.817 1.00 0.16 H new ATOM 0 HB VAL A 35 9.517 0.106 4.126 1.00 0.20 H new ATOM 0 HG11 VAL A 35 7.982 0.396 2.216 1.00 0.18 H new ATOM 0 HG12 VAL A 35 7.355 -0.771 3.405 1.00 0.18 H new ATOM 0 HG13 VAL A 35 6.689 0.878 3.340 1.00 0.18 H new ATOM 0 HG21 VAL A 35 9.409 2.255 2.922 1.00 0.25 H new ATOM 0 HG22 VAL A 35 8.189 2.834 4.081 1.00 0.25 H new ATOM 0 HG23 VAL A 35 9.841 2.470 4.634 1.00 0.25 H new ATOM 552 N ALA A 36 8.744 -1.714 6.023 1.00 0.14 N ATOM 553 CA ALA A 36 8.547 -3.140 6.238 1.00 0.15 C ATOM 554 C ALA A 36 7.831 -3.415 7.557 1.00 0.12 C ATOM 555 O ALA A 36 6.918 -4.238 7.618 1.00 0.11 O ATOM 556 CB ALA A 36 9.886 -3.854 6.207 1.00 0.18 C ATOM 0 H ALA A 36 9.723 -1.431 5.969 1.00 0.14 H new ATOM 0 HA ALA A 36 7.915 -3.519 5.435 1.00 0.15 H new ATOM 0 HB1 ALA A 36 9.733 -4.921 6.368 1.00 0.18 H new ATOM 0 HB2 ALA A 36 10.359 -3.698 5.238 1.00 0.18 H new ATOM 0 HB3 ALA A 36 10.529 -3.457 6.993 1.00 0.18 H new ATOM 562 N ALA A 37 8.239 -2.708 8.608 1.00 0.13 N ATOM 563 CA ALA A 37 7.641 -2.886 9.929 1.00 0.11 C ATOM 564 C ALA A 37 6.170 -2.477 9.934 1.00 0.14 C ATOM 565 O ALA A 37 5.359 -3.045 10.670 1.00 0.20 O ATOM 566 CB ALA A 37 8.414 -2.091 10.966 1.00 0.13 C ATOM 0 H ALA A 37 8.980 -2.008 8.571 1.00 0.13 H new ATOM 0 HA ALA A 37 7.693 -3.945 10.182 1.00 0.11 H new ATOM 0 HB1 ALA A 37 7.959 -2.232 11.946 1.00 0.13 H new ATOM 0 HB2 ALA A 37 9.447 -2.436 10.993 1.00 0.13 H new ATOM 0 HB3 ALA A 37 8.392 -1.033 10.704 1.00 0.13 H new ATOM 572 N PHE A 38 5.839 -1.486 9.113 1.00 0.15 N ATOM 573 CA PHE A 38 4.471 -0.998 9.002 1.00 0.21 C ATOM 574 C PHE A 38 3.570 -2.085 8.424 1.00 0.21 C ATOM 575 O PHE A 38 2.498 -2.375 8.957 1.00 0.28 O ATOM 576 CB PHE A 38 4.438 0.249 8.110 1.00 0.26 C ATOM 577 CG PHE A 38 3.088 0.901 8.014 1.00 0.34 C ATOM 578 CD1 PHE A 38 2.671 1.805 8.978 1.00 0.41 C ATOM 579 CD2 PHE A 38 2.238 0.616 6.957 1.00 0.35 C ATOM 580 CE1 PHE A 38 1.434 2.409 8.893 1.00 0.50 C ATOM 581 CE2 PHE A 38 0.997 1.219 6.865 1.00 0.43 C ATOM 582 CZ PHE A 38 0.596 2.117 7.834 1.00 0.50 C ATOM 0 H PHE A 38 6.506 -1.003 8.511 1.00 0.15 H new ATOM 0 HA PHE A 38 4.104 -0.735 9.994 1.00 0.21 H new ATOM 0 HB2 PHE A 38 5.154 0.976 8.494 1.00 0.26 H new ATOM 0 HB3 PHE A 38 4.769 -0.025 7.108 1.00 0.26 H new ATOM 0 HD1 PHE A 38 3.323 2.040 9.806 1.00 0.41 H new ATOM 0 HD2 PHE A 38 2.548 -0.085 6.196 1.00 0.35 H new ATOM 0 HE1 PHE A 38 1.121 3.109 9.653 1.00 0.50 H new ATOM 0 HE2 PHE A 38 0.343 0.988 6.037 1.00 0.43 H new ATOM 0 HZ PHE A 38 -0.372 2.591 7.764 1.00 0.50 H new ATOM 592 N VAL A 39 4.031 -2.697 7.338 1.00 0.16 N ATOM 593 CA VAL A 39 3.279 -3.757 6.676 1.00 0.17 C ATOM 594 C VAL A 39 3.233 -5.005 7.553 1.00 0.16 C ATOM 595 O VAL A 39 2.215 -5.696 7.620 1.00 0.18 O ATOM 596 CB VAL A 39 3.893 -4.108 5.302 1.00 0.15 C ATOM 597 CG1 VAL A 39 3.012 -5.095 4.546 1.00 0.17 C ATOM 598 CG2 VAL A 39 4.106 -2.847 4.481 1.00 0.15 C ATOM 0 H VAL A 39 4.924 -2.476 6.897 1.00 0.16 H new ATOM 0 HA VAL A 39 2.265 -3.391 6.516 1.00 0.17 H new ATOM 0 HB VAL A 39 4.860 -4.582 5.472 1.00 0.15 H new ATOM 0 HG11 VAL A 39 3.467 -5.325 3.583 1.00 0.17 H new ATOM 0 HG12 VAL A 39 2.910 -6.011 5.127 1.00 0.17 H new ATOM 0 HG13 VAL A 39 2.027 -4.656 4.386 1.00 0.17 H new ATOM 0 HG21 VAL A 39 4.539 -3.110 3.516 1.00 0.15 H new ATOM 0 HG22 VAL A 39 3.149 -2.348 4.326 1.00 0.15 H new ATOM 0 HG23 VAL A 39 4.783 -2.177 5.012 1.00 0.15 H new ATOM 608 N ASP A 40 4.338 -5.268 8.244 1.00 0.12 N ATOM 609 CA ASP A 40 4.445 -6.423 9.131 1.00 0.11 C ATOM 610 C ASP A 40 3.368 -6.383 10.213 1.00 0.12 C ATOM 611 O ASP A 40 2.818 -7.416 10.601 1.00 0.13 O ATOM 612 CB ASP A 40 5.829 -6.460 9.782 1.00 0.09 C ATOM 613 CG ASP A 40 5.928 -7.508 10.870 1.00 0.09 C ATOM 614 OD1 ASP A 40 6.195 -8.681 10.547 1.00 1.14 O1- ATOM 615 OD2 ASP A 40 5.747 -7.154 12.056 1.00 1.03 O ATOM 0 H ASP A 40 5.179 -4.692 8.206 1.00 0.12 H new ATOM 0 HA ASP A 40 4.302 -7.323 8.533 1.00 0.11 H new ATOM 0 HB2 ASP A 40 6.581 -6.660 9.019 1.00 0.09 H new ATOM 0 HB3 ASP A 40 6.056 -5.481 10.203 1.00 0.09 H new ATOM 620 N ASP A 41 3.058 -5.185 10.687 1.00 0.12 N ATOM 621 CA ASP A 41 2.046 -5.017 11.722 1.00 0.13 C ATOM 622 C ASP A 41 0.658 -5.246 11.142 1.00 0.09 C ATOM 623 O ASP A 41 -0.209 -5.841 11.785 1.00 0.07 O ATOM 624 CB ASP A 41 2.131 -3.621 12.336 1.00 0.16 C ATOM 625 CG ASP A 41 1.463 -3.553 13.694 1.00 0.13 C ATOM 626 OD1 ASP A 41 1.745 -4.426 14.541 1.00 0.22 O ATOM 627 OD2 ASP A 41 0.668 -2.620 13.928 1.00 0.12 O1- ATOM 0 H ASP A 41 3.491 -4.316 10.373 1.00 0.12 H new ATOM 0 HA ASP A 41 2.230 -5.753 12.505 1.00 0.13 H new ATOM 0 HB2 ASP A 41 3.177 -3.331 12.432 1.00 0.16 H new ATOM 0 HB3 ASP A 41 1.661 -2.901 11.665 1.00 0.16 H new ATOM 632 N LYS A 42 0.470 -4.800 9.905 1.00 0.10 N ATOM 633 CA LYS A 42 -0.802 -4.938 9.211 1.00 0.11 C ATOM 634 C LYS A 42 -1.174 -6.413 9.042 1.00 0.03 C ATOM 635 O LYS A 42 -2.325 -6.797 9.229 1.00 0.07 O ATOM 636 CB LYS A 42 -0.735 -4.243 7.847 1.00 0.19 C ATOM 637 CG LYS A 42 -2.056 -4.209 7.091 1.00 0.26 C ATOM 638 CD LYS A 42 -3.079 -3.292 7.749 1.00 0.28 C ATOM 639 CE LYS A 42 -2.586 -1.853 7.840 1.00 0.31 C ATOM 640 NZ LYS A 42 -3.675 -0.914 8.222 1.00 0.38 N1+ ATOM 0 H LYS A 42 1.194 -4.334 9.358 1.00 0.10 H new ATOM 0 HA LYS A 42 -1.576 -4.461 9.812 1.00 0.11 H new ATOM 0 HB2 LYS A 42 -0.387 -3.220 7.991 1.00 0.19 H new ATOM 0 HB3 LYS A 42 0.009 -4.749 7.231 1.00 0.19 H new ATOM 0 HG2 LYS A 42 -1.878 -3.875 6.069 1.00 0.26 H new ATOM 0 HG3 LYS A 42 -2.463 -5.218 7.031 1.00 0.26 H new ATOM 0 HD2 LYS A 42 -4.009 -3.321 7.181 1.00 0.28 H new ATOM 0 HD3 LYS A 42 -3.305 -3.661 8.749 1.00 0.28 H new ATOM 0 HE2 LYS A 42 -1.781 -1.791 8.572 1.00 0.31 H new ATOM 0 HE3 LYS A 42 -2.168 -1.552 6.880 1.00 0.31 H new ATOM 0 HZ1 LYS A 42 -3.328 0.064 8.157 1.00 0.38 H new ATOM 0 HZ2 LYS A 42 -4.482 -1.038 7.578 1.00 0.38 H new ATOM 0 HZ3 LYS A 42 -3.977 -1.111 9.198 1.00 0.38 H new ATOM 654 N MET A 43 -0.195 -7.243 8.701 1.00 0.07 N ATOM 655 CA MET A 43 -0.450 -8.669 8.525 1.00 0.12 C ATOM 656 C MET A 43 -0.599 -9.363 9.872 1.00 0.16 C ATOM 657 O MET A 43 -1.278 -10.383 9.982 1.00 0.35 O ATOM 658 CB MET A 43 0.661 -9.331 7.703 1.00 0.18 C ATOM 659 CG MET A 43 2.020 -9.342 8.383 1.00 0.16 C ATOM 660 SD MET A 43 3.366 -9.641 7.224 1.00 0.26 S ATOM 661 CE MET A 43 3.009 -8.407 5.982 1.00 0.29 C ATOM 0 H MET A 43 0.772 -6.959 8.542 1.00 0.07 H new ATOM 0 HA MET A 43 -1.387 -8.773 7.977 1.00 0.12 H new ATOM 0 HB2 MET A 43 0.370 -10.358 7.481 1.00 0.18 H new ATOM 0 HB3 MET A 43 0.749 -8.812 6.749 1.00 0.18 H new ATOM 0 HG2 MET A 43 2.181 -8.387 8.883 1.00 0.16 H new ATOM 0 HG3 MET A 43 2.031 -10.112 9.155 1.00 0.16 H new ATOM 0 HE1 MET A 43 3.942 -7.980 5.615 1.00 0.29 H new ATOM 0 HE2 MET A 43 2.471 -8.869 5.154 1.00 0.29 H new ATOM 0 HE3 MET A 43 2.396 -7.618 6.418 1.00 0.29 H new ATOM 671 N HIS A 44 0.020 -8.796 10.897 1.00 0.02 N ATOM 672 CA HIS A 44 -0.055 -9.365 12.238 1.00 0.04 C ATOM 673 C HIS A 44 -1.469 -9.235 12.789 1.00 0.05 C ATOM 674 O HIS A 44 -2.023 -10.187 13.336 1.00 0.20 O ATOM 675 CB HIS A 44 0.938 -8.683 13.185 1.00 0.08 C ATOM 676 CG HIS A 44 2.206 -9.461 13.379 1.00 0.11 C ATOM 677 ND1 HIS A 44 3.342 -9.260 12.622 1.00 0.27 N ATOM 678 CD2 HIS A 44 2.509 -10.451 14.251 1.00 0.29 C ATOM 679 CE1 HIS A 44 4.287 -10.094 13.020 1.00 0.38 C ATOM 680 NE2 HIS A 44 3.803 -10.826 14.005 1.00 0.40 N ATOM 0 H HIS A 44 0.578 -7.945 10.828 1.00 0.02 H new ATOM 0 HA HIS A 44 0.208 -10.421 12.169 1.00 0.04 H new ATOM 0 HB2 HIS A 44 1.183 -7.696 12.794 1.00 0.08 H new ATOM 0 HB3 HIS A 44 0.461 -8.533 14.153 1.00 0.08 H new ATOM 0 HD1 HIS A 44 3.438 -8.575 11.872 1.00 0.27 H new ATOM 0 HD2 HIS A 44 1.853 -10.867 15.001 1.00 0.29 H new ATOM 0 HE1 HIS A 44 5.284 -10.164 12.610 1.00 0.38 H new ATOM 689 N GLU A 45 -2.061 -8.061 12.605 1.00 0.16 N ATOM 690 CA GLU A 45 -3.413 -7.799 13.088 1.00 0.15 C ATOM 691 C GLU A 45 -4.459 -8.497 12.218 1.00 0.15 C ATOM 692 O GLU A 45 -5.632 -8.567 12.580 1.00 0.17 O ATOM 693 CB GLU A 45 -3.683 -6.292 13.108 1.00 0.12 C ATOM 694 CG GLU A 45 -3.779 -5.673 11.718 1.00 0.09 C ATOM 695 CD GLU A 45 -4.064 -4.187 11.752 1.00 0.12 C ATOM 696 OE1 GLU A 45 -3.103 -3.398 11.807 1.00 0.16 O ATOM 697 OE2 GLU A 45 -5.254 -3.803 11.717 1.00 0.21 O1- ATOM 0 H GLU A 45 -1.626 -7.274 12.124 1.00 0.16 H new ATOM 0 HA GLU A 45 -3.488 -8.196 14.100 1.00 0.15 H new ATOM 0 HB2 GLU A 45 -4.613 -6.105 13.646 1.00 0.12 H new ATOM 0 HB3 GLU A 45 -2.888 -5.796 13.664 1.00 0.12 H new ATOM 0 HG2 GLU A 45 -2.845 -5.846 11.184 1.00 0.09 H new ATOM 0 HG3 GLU A 45 -4.566 -6.176 11.156 1.00 0.09 H new ATOM 704 N PHE A 46 -4.033 -9.006 11.070 1.00 0.15 N ATOM 705 CA PHE A 46 -4.945 -9.682 10.157 1.00 0.14 C ATOM 706 C PHE A 46 -4.848 -11.200 10.276 1.00 0.16 C ATOM 707 O PHE A 46 -5.829 -11.909 10.044 1.00 0.17 O ATOM 708 CB PHE A 46 -4.692 -9.238 8.715 1.00 0.14 C ATOM 709 CG PHE A 46 -5.634 -8.162 8.253 1.00 0.15 C ATOM 710 CD1 PHE A 46 -6.994 -8.411 8.154 1.00 0.18 C ATOM 711 CD2 PHE A 46 -5.162 -6.905 7.920 1.00 0.13 C ATOM 712 CE1 PHE A 46 -7.866 -7.425 7.730 1.00 0.19 C ATOM 713 CE2 PHE A 46 -6.028 -5.913 7.496 1.00 0.14 C ATOM 714 CZ PHE A 46 -7.381 -6.174 7.399 1.00 0.17 C ATOM 0 H PHE A 46 -3.066 -8.964 10.749 1.00 0.15 H new ATOM 0 HA PHE A 46 -5.959 -9.397 10.439 1.00 0.14 H new ATOM 0 HB2 PHE A 46 -3.667 -8.877 8.627 1.00 0.14 H new ATOM 0 HB3 PHE A 46 -4.784 -10.100 8.055 1.00 0.14 H new ATOM 0 HD1 PHE A 46 -7.377 -9.387 8.411 1.00 0.18 H new ATOM 0 HD2 PHE A 46 -4.105 -6.696 7.992 1.00 0.13 H new ATOM 0 HE1 PHE A 46 -8.923 -7.632 7.658 1.00 0.19 H new ATOM 0 HE2 PHE A 46 -5.647 -4.935 7.241 1.00 0.14 H new ATOM 0 HZ PHE A 46 -8.058 -5.402 7.065 1.00 0.17 H new ATOM 724 N SER A 47 -3.678 -11.700 10.651 1.00 0.21 N ATOM 725 CA SER A 47 -3.479 -13.138 10.800 1.00 0.23 C ATOM 726 C SER A 47 -4.382 -13.695 11.903 1.00 0.21 C ATOM 727 O SER A 47 -4.883 -14.816 11.802 1.00 0.32 O ATOM 728 CB SER A 47 -2.010 -13.451 11.111 1.00 0.25 C ATOM 729 OG SER A 47 -1.156 -13.078 10.034 1.00 0.76 O ATOM 0 H SER A 47 -2.854 -11.135 10.857 1.00 0.21 H new ATOM 0 HA SER A 47 -3.744 -13.617 9.858 1.00 0.23 H new ATOM 0 HB2 SER A 47 -1.708 -12.923 12.015 1.00 0.25 H new ATOM 0 HB3 SER A 47 -1.899 -14.516 11.312 1.00 0.25 H new ATOM 0 HG SER A 47 -1.208 -12.109 9.896 1.00 0.76 H new ATOM 735 N GLU A 48 -4.609 -12.887 12.935 1.00 0.09 N ATOM 736 CA GLU A 48 -5.447 -13.294 14.060 1.00 0.08 C ATOM 737 C GLU A 48 -6.934 -13.275 13.692 1.00 0.10 C ATOM 738 O GLU A 48 -7.767 -13.807 14.426 1.00 0.07 O ATOM 739 CB GLU A 48 -5.205 -12.383 15.265 1.00 0.11 C ATOM 740 CG GLU A 48 -5.444 -10.906 14.981 1.00 0.06 C ATOM 741 CD GLU A 48 -6.381 -10.268 15.984 1.00 0.28 C ATOM 742 OE1 GLU A 48 -5.925 -9.907 17.089 1.00 0.49 O1- ATOM 743 OE2 GLU A 48 -7.582 -10.123 15.677 1.00 0.61 O ATOM 0 H GLU A 48 -4.224 -11.946 13.016 1.00 0.09 H new ATOM 0 HA GLU A 48 -5.172 -14.317 14.317 1.00 0.08 H new ATOM 0 HB2 GLU A 48 -5.856 -12.696 16.081 1.00 0.11 H new ATOM 0 HB3 GLU A 48 -4.179 -12.515 15.608 1.00 0.11 H new ATOM 0 HG2 GLU A 48 -4.490 -10.378 14.992 1.00 0.06 H new ATOM 0 HG3 GLU A 48 -5.858 -10.794 13.979 1.00 0.06 H new ATOM 750 N LYS A 49 -7.264 -12.652 12.564 1.00 0.14 N ATOM 751 CA LYS A 49 -8.653 -12.573 12.114 1.00 0.18 C ATOM 752 C LYS A 49 -9.069 -13.879 11.455 1.00 0.27 C ATOM 753 O LYS A 49 -10.223 -14.295 11.557 1.00 0.38 O ATOM 754 CB LYS A 49 -8.848 -11.416 11.122 1.00 0.12 C ATOM 755 CG LYS A 49 -8.466 -10.049 11.671 1.00 0.20 C ATOM 756 CD LYS A 49 -9.456 -9.541 12.714 1.00 0.43 C ATOM 757 CE LYS A 49 -10.800 -9.178 12.100 1.00 0.64 C ATOM 758 NZ LYS A 49 -11.605 -8.307 12.999 1.00 0.88 N1+ ATOM 0 H LYS A 49 -6.593 -12.196 11.946 1.00 0.14 H new ATOM 0 HA LYS A 49 -9.277 -12.392 12.989 1.00 0.18 H new ATOM 0 HB2 LYS A 49 -8.255 -11.615 10.229 1.00 0.12 H new ATOM 0 HB3 LYS A 49 -9.893 -11.391 10.812 1.00 0.12 H new ATOM 0 HG2 LYS A 49 -7.472 -10.104 12.115 1.00 0.20 H new ATOM 0 HG3 LYS A 49 -8.409 -9.334 10.850 1.00 0.20 H new ATOM 0 HD2 LYS A 49 -9.601 -10.305 13.477 1.00 0.43 H new ATOM 0 HD3 LYS A 49 -9.039 -8.667 13.214 1.00 0.43 H new ATOM 0 HE2 LYS A 49 -10.639 -8.669 11.150 1.00 0.64 H new ATOM 0 HE3 LYS A 49 -11.358 -10.089 11.883 1.00 0.64 H new ATOM 0 HZ1 LYS A 49 -12.513 -8.083 12.544 1.00 0.88 H new ATOM 0 HZ2 LYS A 49 -11.781 -8.802 13.896 1.00 0.88 H new ATOM 0 HZ3 LYS A 49 -11.085 -7.426 13.186 1.00 0.88 H new ATOM 772 N GLN A 50 -8.109 -14.522 10.792 1.00 0.30 N ATOM 773 CA GLN A 50 -8.347 -15.787 10.096 1.00 0.41 C ATOM 774 C GLN A 50 -9.488 -15.661 9.084 1.00 0.29 C ATOM 775 O GLN A 50 -10.559 -16.241 9.277 1.00 0.47 O ATOM 776 CB GLN A 50 -8.668 -16.902 11.093 1.00 0.63 C ATOM 777 CG GLN A 50 -7.602 -17.104 12.154 1.00 0.78 C ATOM 778 CD GLN A 50 -8.107 -17.944 13.306 1.00 0.93 C ATOM 779 OE1 GLN A 50 -8.651 -17.420 14.278 1.00 0.94 O ATOM 780 NE2 GLN A 50 -7.939 -19.252 13.203 1.00 1.07 N ATOM 0 H GLN A 50 -7.149 -14.184 10.722 1.00 0.30 H new ATOM 0 HA GLN A 50 -7.433 -16.038 9.558 1.00 0.41 H new ATOM 0 HB2 GLN A 50 -9.616 -16.677 11.582 1.00 0.63 H new ATOM 0 HB3 GLN A 50 -8.805 -17.836 10.547 1.00 0.63 H new ATOM 0 HG2 GLN A 50 -6.732 -17.585 11.708 1.00 0.78 H new ATOM 0 HG3 GLN A 50 -7.273 -16.134 12.528 1.00 0.78 H new ATOM 0 HE21 GLN A 50 -7.483 -19.644 12.379 1.00 1.07 H new ATOM 0 HE22 GLN A 50 -8.266 -19.868 13.947 1.00 1.07 H new ATOM 789 N PRO A 51 -9.279 -14.896 7.995 1.00 0.11 N ATOM 790 CA PRO A 51 -10.305 -14.716 6.968 1.00 0.09 C ATOM 791 C PRO A 51 -10.662 -16.037 6.282 1.00 0.05 C ATOM 792 O PRO A 51 -11.772 -16.544 6.440 1.00 0.20 O ATOM 793 CB PRO A 51 -9.687 -13.723 5.974 1.00 0.32 C ATOM 794 CG PRO A 51 -8.223 -13.683 6.277 1.00 0.44 C ATOM 795 CD PRO A 51 -8.048 -14.144 7.701 1.00 0.34 C ATOM 0 HA PRO A 51 -11.241 -14.351 7.391 1.00 0.09 H new ATOM 0 HB2 PRO A 51 -9.863 -14.041 4.946 1.00 0.32 H new ATOM 0 HB3 PRO A 51 -10.134 -12.735 6.083 1.00 0.32 H new ATOM 0 HG2 PRO A 51 -7.671 -14.328 5.593 1.00 0.44 H new ATOM 0 HG3 PRO A 51 -7.831 -12.674 6.149 1.00 0.44 H new ATOM 0 HD2 PRO A 51 -7.163 -14.771 7.810 1.00 0.34 H new ATOM 0 HD3 PRO A 51 -7.926 -13.300 8.380 1.00 0.34 H new ATOM 803 N MET A 52 -9.723 -16.586 5.519 1.00 0.10 N ATOM 804 CA MET A 52 -9.939 -17.855 4.831 1.00 0.14 C ATOM 805 C MET A 52 -8.883 -18.883 5.237 1.00 0.14 C ATOM 806 O MET A 52 -8.793 -19.956 4.640 1.00 0.16 O ATOM 807 CB MET A 52 -9.920 -17.658 3.309 1.00 0.25 C ATOM 808 CG MET A 52 -8.603 -17.119 2.769 1.00 0.17 C ATOM 809 SD MET A 52 -8.428 -15.340 3.000 1.00 0.22 S ATOM 810 CE MET A 52 -9.652 -14.717 1.850 1.00 1.11 C ATOM 0 H MET A 52 -8.804 -16.172 5.361 1.00 0.10 H new ATOM 0 HA MET A 52 -10.920 -18.230 5.124 1.00 0.14 H new ATOM 0 HB2 MET A 52 -10.135 -18.612 2.827 1.00 0.25 H new ATOM 0 HB3 MET A 52 -10.722 -16.973 3.032 1.00 0.25 H new ATOM 0 HG2 MET A 52 -7.777 -17.628 3.265 1.00 0.17 H new ATOM 0 HG3 MET A 52 -8.529 -17.352 1.707 1.00 0.17 H new ATOM 0 HE1 MET A 52 -9.431 -13.677 1.612 1.00 1.11 H new ATOM 0 HE2 MET A 52 -9.629 -15.311 0.937 1.00 1.11 H new ATOM 0 HE3 MET A 52 -10.642 -14.784 2.301 1.00 1.11 H new ATOM 820 N LEU A 53 -8.104 -18.541 6.271 1.00 0.15 N ATOM 821 CA LEU A 53 -7.041 -19.409 6.786 1.00 0.17 C ATOM 822 C LEU A 53 -6.066 -19.819 5.683 1.00 0.20 C ATOM 823 O LEU A 53 -6.038 -20.975 5.258 1.00 0.41 O ATOM 824 CB LEU A 53 -7.644 -20.645 7.459 1.00 0.19 C ATOM 825 CG LEU A 53 -8.238 -20.396 8.849 1.00 0.36 C ATOM 826 CD1 LEU A 53 -9.362 -21.378 9.133 1.00 0.31 C ATOM 827 CD2 LEU A 53 -7.158 -20.500 9.912 1.00 0.51 C ATOM 0 H LEU A 53 -8.194 -17.657 6.772 1.00 0.15 H new ATOM 0 HA LEU A 53 -6.478 -18.843 7.528 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -8.424 -21.048 6.813 1.00 0.19 H new ATOM 0 HB3 LEU A 53 -6.871 -21.409 7.541 1.00 0.19 H new ATOM 0 HG LEU A 53 -8.651 -19.387 8.873 1.00 0.36 H new ATOM 0 HD11 LEU A 53 -9.771 -21.186 10.125 1.00 0.31 H new ATOM 0 HD12 LEU A 53 -10.147 -21.258 8.387 1.00 0.31 H new ATOM 0 HD13 LEU A 53 -8.975 -22.396 9.092 1.00 0.31 H new ATOM 0 HD21 LEU A 53 -7.596 -20.321 10.894 1.00 0.51 H new ATOM 0 HD22 LEU A 53 -6.718 -21.497 9.887 1.00 0.51 H new ATOM 0 HD23 LEU A 53 -6.384 -19.757 9.718 1.00 0.51 H new ATOM 839 N ASP A 54 -5.270 -18.864 5.225 1.00 0.04 N ATOM 840 CA ASP A 54 -4.298 -19.113 4.169 1.00 0.08 C ATOM 841 C ASP A 54 -3.269 -17.988 4.149 1.00 0.06 C ATOM 842 O ASP A 54 -3.637 -16.814 4.132 1.00 0.07 O ATOM 843 CB ASP A 54 -5.005 -19.222 2.820 1.00 0.12 C ATOM 844 CG ASP A 54 -4.051 -19.492 1.682 1.00 0.14 C ATOM 845 OD1 ASP A 54 -3.403 -20.560 1.678 1.00 0.21 O ATOM 846 OD2 ASP A 54 -3.958 -18.647 0.775 1.00 0.47 O1- ATOM 0 H ASP A 54 -5.278 -17.904 5.570 1.00 0.04 H new ATOM 0 HA ASP A 54 -3.785 -20.055 4.362 1.00 0.08 H new ATOM 0 HB2 ASP A 54 -5.745 -20.021 2.866 1.00 0.12 H new ATOM 0 HB3 ASP A 54 -5.547 -18.297 2.623 1.00 0.12 H new ATOM 851 N VAL A 55 -1.988 -18.349 4.158 1.00 0.06 N ATOM 852 CA VAL A 55 -0.901 -17.363 4.182 1.00 0.07 C ATOM 853 C VAL A 55 -0.892 -16.428 2.957 1.00 0.06 C ATOM 854 O VAL A 55 -0.957 -15.211 3.126 1.00 0.06 O ATOM 855 CB VAL A 55 0.481 -18.040 4.331 1.00 0.09 C ATOM 856 CG1 VAL A 55 1.584 -17.001 4.487 1.00 0.08 C ATOM 857 CG2 VAL A 55 0.483 -19.000 5.508 1.00 0.13 C ATOM 0 H VAL A 55 -1.673 -19.319 4.149 1.00 0.06 H new ATOM 0 HA VAL A 55 -1.096 -16.746 5.059 1.00 0.07 H new ATOM 0 HB VAL A 55 0.677 -18.608 3.422 1.00 0.09 H new ATOM 0 HG11 VAL A 55 2.546 -17.504 4.590 1.00 0.08 H new ATOM 0 HG12 VAL A 55 1.604 -16.357 3.608 1.00 0.08 H new ATOM 0 HG13 VAL A 55 1.393 -16.398 5.375 1.00 0.08 H new ATOM 0 HG21 VAL A 55 1.464 -19.466 5.596 1.00 0.13 H new ATOM 0 HG22 VAL A 55 0.258 -18.453 6.424 1.00 0.13 H new ATOM 0 HG23 VAL A 55 -0.272 -19.770 5.350 1.00 0.13 H new ATOM 867 N PRO A 56 -0.791 -16.954 1.711 1.00 0.05 N ATOM 868 CA PRO A 56 -0.770 -16.109 0.510 1.00 0.04 C ATOM 869 C PRO A 56 -1.964 -15.162 0.425 1.00 0.04 C ATOM 870 O PRO A 56 -1.805 -13.982 0.107 1.00 0.04 O ATOM 871 CB PRO A 56 -0.787 -17.102 -0.665 1.00 0.05 C ATOM 872 CG PRO A 56 -1.067 -18.443 -0.071 1.00 0.06 C ATOM 873 CD PRO A 56 -0.651 -18.378 1.372 1.00 0.06 C ATOM 0 HA PRO A 56 0.105 -15.459 0.512 1.00 0.04 H new ATOM 0 HB2 PRO A 56 -1.552 -16.831 -1.393 1.00 0.05 H new ATOM 0 HB3 PRO A 56 0.168 -17.100 -1.190 1.00 0.05 H new ATOM 0 HG2 PRO A 56 -2.125 -18.690 -0.157 1.00 0.06 H new ATOM 0 HG3 PRO A 56 -0.514 -19.221 -0.597 1.00 0.06 H new ATOM 0 HD2 PRO A 56 -1.285 -19.003 2.000 1.00 0.06 H new ATOM 0 HD3 PRO A 56 0.374 -18.724 1.509 1.00 0.06 H new ATOM 881 N LYS A 57 -3.151 -15.675 0.721 1.00 0.05 N ATOM 882 CA LYS A 57 -4.366 -14.867 0.676 1.00 0.05 C ATOM 883 C LYS A 57 -4.340 -13.796 1.767 1.00 0.06 C ATOM 884 O LYS A 57 -4.889 -12.708 1.601 1.00 0.08 O ATOM 885 CB LYS A 57 -5.609 -15.751 0.829 1.00 0.06 C ATOM 886 CG LYS A 57 -6.178 -16.274 -0.490 1.00 0.09 C ATOM 887 CD LYS A 57 -5.086 -16.714 -1.455 1.00 0.11 C ATOM 888 CE LYS A 57 -5.462 -17.994 -2.187 1.00 0.12 C ATOM 889 NZ LYS A 57 -5.565 -19.153 -1.265 1.00 0.10 N1+ ATOM 0 H LYS A 57 -3.300 -16.646 0.995 1.00 0.05 H new ATOM 0 HA LYS A 57 -4.410 -14.373 -0.295 1.00 0.05 H new ATOM 0 HB2 LYS A 57 -5.360 -16.600 1.465 1.00 0.06 H new ATOM 0 HB3 LYS A 57 -6.383 -15.183 1.345 1.00 0.06 H new ATOM 0 HG2 LYS A 57 -6.843 -17.114 -0.289 1.00 0.09 H new ATOM 0 HG3 LYS A 57 -6.781 -15.495 -0.957 1.00 0.09 H new ATOM 0 HD2 LYS A 57 -4.901 -15.922 -2.180 1.00 0.11 H new ATOM 0 HD3 LYS A 57 -4.157 -16.868 -0.907 1.00 0.11 H new ATOM 0 HE2 LYS A 57 -6.414 -17.852 -2.699 1.00 0.12 H new ATOM 0 HE3 LYS A 57 -4.716 -18.206 -2.953 1.00 0.12 H new ATOM 0 HZ1 LYS A 57 -4.884 -19.885 -1.550 1.00 0.10 H new ATOM 0 HZ2 LYS A 57 -5.355 -18.844 -0.294 1.00 0.10 H new ATOM 0 HZ3 LYS A 57 -6.528 -19.543 -1.304 1.00 0.10 H new ATOM 903 N LEU A 58 -3.680 -14.113 2.874 1.00 0.05 N ATOM 904 CA LEU A 58 -3.558 -13.191 3.999 1.00 0.06 C ATOM 905 C LEU A 58 -2.600 -12.058 3.636 1.00 0.06 C ATOM 906 O LEU A 58 -2.859 -10.888 3.925 1.00 0.08 O ATOM 907 CB LEU A 58 -3.047 -13.958 5.239 1.00 0.06 C ATOM 908 CG LEU A 58 -3.242 -13.305 6.624 1.00 0.11 C ATOM 909 CD1 LEU A 58 -2.294 -12.130 6.827 1.00 0.07 C ATOM 910 CD2 LEU A 58 -4.690 -12.878 6.834 1.00 0.17 C ATOM 0 H LEU A 58 -3.217 -15.010 3.018 1.00 0.05 H new ATOM 0 HA LEU A 58 -4.533 -12.760 4.228 1.00 0.06 H new ATOM 0 HB2 LEU A 58 -3.538 -14.931 5.256 1.00 0.06 H new ATOM 0 HB3 LEU A 58 -1.981 -14.141 5.103 1.00 0.06 H new ATOM 0 HG LEU A 58 -3.001 -14.058 7.374 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -2.460 -11.695 7.813 1.00 0.07 H new ATOM 0 HD12 LEU A 58 -1.263 -12.477 6.752 1.00 0.07 H new ATOM 0 HD13 LEU A 58 -2.480 -11.376 6.062 1.00 0.07 H new ATOM 0 HD21 LEU A 58 -4.796 -12.422 7.818 1.00 0.17 H new ATOM 0 HD22 LEU A 58 -4.971 -12.156 6.067 1.00 0.17 H new ATOM 0 HD23 LEU A 58 -5.340 -13.750 6.767 1.00 0.17 H new ATOM 922 N ALA A 59 -1.508 -12.420 2.976 1.00 0.05 N ATOM 923 CA ALA A 59 -0.492 -11.463 2.565 1.00 0.06 C ATOM 924 C ALA A 59 -1.056 -10.414 1.608 1.00 0.08 C ATOM 925 O ALA A 59 -0.927 -9.213 1.847 1.00 0.11 O ATOM 926 CB ALA A 59 0.679 -12.191 1.919 1.00 0.06 C ATOM 0 H ALA A 59 -1.303 -13.383 2.711 1.00 0.05 H new ATOM 0 HA ALA A 59 -0.145 -10.941 3.457 1.00 0.06 H new ATOM 0 HB1 ALA A 59 1.434 -11.467 1.615 1.00 0.06 H new ATOM 0 HB2 ALA A 59 1.113 -12.889 2.635 1.00 0.06 H new ATOM 0 HB3 ALA A 59 0.329 -12.739 1.044 1.00 0.06 H new ATOM 932 N VAL A 60 -1.699 -10.865 0.539 1.00 0.05 N ATOM 933 CA VAL A 60 -2.266 -9.951 -0.453 1.00 0.07 C ATOM 934 C VAL A 60 -3.422 -9.130 0.128 1.00 0.07 C ATOM 935 O VAL A 60 -3.704 -8.020 -0.334 1.00 0.08 O ATOM 936 CB VAL A 60 -2.740 -10.706 -1.716 1.00 0.07 C ATOM 937 CG1 VAL A 60 -3.945 -11.582 -1.421 1.00 0.07 C ATOM 938 CG2 VAL A 60 -3.052 -9.734 -2.844 1.00 0.08 C ATOM 0 H VAL A 60 -1.842 -11.854 0.334 1.00 0.05 H new ATOM 0 HA VAL A 60 -1.467 -9.266 -0.738 1.00 0.07 H new ATOM 0 HB VAL A 60 -1.924 -11.355 -2.034 1.00 0.07 H new ATOM 0 HG11 VAL A 60 -4.251 -12.098 -2.331 1.00 0.07 H new ATOM 0 HG12 VAL A 60 -3.684 -12.316 -0.659 1.00 0.07 H new ATOM 0 HG13 VAL A 60 -4.766 -10.962 -1.061 1.00 0.07 H new ATOM 0 HG21 VAL A 60 -3.383 -10.289 -3.722 1.00 0.08 H new ATOM 0 HG22 VAL A 60 -3.840 -9.051 -2.528 1.00 0.08 H new ATOM 0 HG23 VAL A 60 -2.156 -9.165 -3.092 1.00 0.08 H new ATOM 948 N LEU A 61 -4.069 -9.669 1.153 1.00 0.07 N ATOM 949 CA LEU A 61 -5.188 -8.994 1.802 1.00 0.08 C ATOM 950 C LEU A 61 -4.740 -7.677 2.435 1.00 0.08 C ATOM 951 O LEU A 61 -5.507 -6.718 2.517 1.00 0.08 O ATOM 952 CB LEU A 61 -5.808 -9.905 2.865 1.00 0.10 C ATOM 953 CG LEU A 61 -6.963 -9.298 3.665 1.00 0.10 C ATOM 954 CD1 LEU A 61 -8.202 -9.158 2.795 1.00 0.11 C ATOM 955 CD2 LEU A 61 -7.263 -10.151 4.889 1.00 0.07 C ATOM 0 H LEU A 61 -3.837 -10.577 1.556 1.00 0.07 H new ATOM 0 HA LEU A 61 -5.937 -8.770 1.043 1.00 0.08 H new ATOM 0 HB2 LEU A 61 -6.165 -10.812 2.377 1.00 0.10 H new ATOM 0 HB3 LEU A 61 -5.025 -10.205 3.562 1.00 0.10 H new ATOM 0 HG LEU A 61 -6.667 -8.304 3.999 1.00 0.10 H new ATOM 0 HD11 LEU A 61 -9.012 -8.725 3.382 1.00 0.11 H new ATOM 0 HD12 LEU A 61 -7.980 -8.509 1.948 1.00 0.11 H new ATOM 0 HD13 LEU A 61 -8.503 -10.140 2.430 1.00 0.11 H new ATOM 0 HD21 LEU A 61 -8.087 -9.707 5.449 1.00 0.07 H new ATOM 0 HD22 LEU A 61 -7.539 -11.157 4.573 1.00 0.07 H new ATOM 0 HD23 LEU A 61 -6.378 -10.201 5.524 1.00 0.07 H new ATOM 967 N THR A 62 -3.489 -7.630 2.865 1.00 0.10 N ATOM 968 CA THR A 62 -2.951 -6.434 3.493 1.00 0.11 C ATOM 969 C THR A 62 -2.590 -5.381 2.449 1.00 0.10 C ATOM 970 O THR A 62 -2.730 -4.185 2.696 1.00 0.13 O ATOM 971 CB THR A 62 -1.715 -6.752 4.355 1.00 0.13 C ATOM 972 OG1 THR A 62 -0.630 -7.210 3.538 1.00 0.12 O ATOM 973 CG2 THR A 62 -2.050 -7.805 5.396 1.00 0.15 C ATOM 0 H THR A 62 -2.829 -8.404 2.791 1.00 0.10 H new ATOM 0 HA THR A 62 -3.732 -6.038 4.142 1.00 0.11 H new ATOM 0 HB THR A 62 -1.412 -5.835 4.860 1.00 0.13 H new ATOM 0 HG1 THR A 62 -0.965 -7.856 2.882 1.00 0.12 H new ATOM 0 HG21 THR A 62 -1.165 -8.018 5.996 1.00 0.15 H new ATOM 0 HG22 THR A 62 -2.847 -7.437 6.042 1.00 0.15 H new ATOM 0 HG23 THR A 62 -2.378 -8.717 4.898 1.00 0.15 H new ATOM 981 N ALA A 63 -2.152 -5.835 1.277 1.00 0.08 N ATOM 982 CA ALA A 63 -1.767 -4.936 0.193 1.00 0.08 C ATOM 983 C ALA A 63 -2.926 -4.036 -0.210 1.00 0.07 C ATOM 984 O ALA A 63 -2.784 -2.815 -0.294 1.00 0.08 O ATOM 985 CB ALA A 63 -1.281 -5.733 -1.007 1.00 0.08 C ATOM 0 H ALA A 63 -2.055 -6.825 1.054 1.00 0.08 H new ATOM 0 HA ALA A 63 -0.954 -4.304 0.552 1.00 0.08 H new ATOM 0 HB1 ALA A 63 -0.997 -5.049 -1.807 1.00 0.08 H new ATOM 0 HB2 ALA A 63 -0.418 -6.333 -0.720 1.00 0.08 H new ATOM 0 HB3 ALA A 63 -2.079 -6.389 -1.356 1.00 0.08 H new ATOM 991 N VAL A 64 -4.078 -4.647 -0.436 1.00 0.07 N ATOM 992 CA VAL A 64 -5.271 -3.914 -0.831 1.00 0.08 C ATOM 993 C VAL A 64 -5.790 -3.036 0.311 1.00 0.09 C ATOM 994 O VAL A 64 -6.351 -1.966 0.075 1.00 0.12 O ATOM 995 CB VAL A 64 -6.381 -4.868 -1.334 1.00 0.08 C ATOM 996 CG1 VAL A 64 -6.906 -5.767 -0.222 1.00 0.05 C ATOM 997 CG2 VAL A 64 -7.517 -4.086 -1.978 1.00 0.12 C ATOM 0 H VAL A 64 -4.213 -5.655 -0.352 1.00 0.07 H new ATOM 0 HA VAL A 64 -4.989 -3.261 -1.657 1.00 0.08 H new ATOM 0 HB VAL A 64 -5.934 -5.514 -2.090 1.00 0.08 H new ATOM 0 HG11 VAL A 64 -7.683 -6.420 -0.619 1.00 0.05 H new ATOM 0 HG12 VAL A 64 -6.090 -6.372 0.173 1.00 0.05 H new ATOM 0 HG13 VAL A 64 -7.321 -5.153 0.577 1.00 0.05 H new ATOM 0 HG21 VAL A 64 -8.285 -4.778 -2.324 1.00 0.12 H new ATOM 0 HG22 VAL A 64 -7.948 -3.402 -1.247 1.00 0.12 H new ATOM 0 HG23 VAL A 64 -7.133 -3.518 -2.825 1.00 0.12 H new ATOM 1007 N GLN A 65 -5.575 -3.473 1.547 1.00 0.08 N ATOM 1008 CA GLN A 65 -6.020 -2.704 2.700 1.00 0.09 C ATOM 1009 C GLN A 65 -5.167 -1.447 2.841 1.00 0.07 C ATOM 1010 O GLN A 65 -5.694 -0.339 2.966 1.00 0.12 O ATOM 1011 CB GLN A 65 -5.954 -3.554 3.975 1.00 0.10 C ATOM 1012 CG GLN A 65 -7.006 -3.171 5.015 1.00 0.10 C ATOM 1013 CD GLN A 65 -6.601 -1.970 5.845 1.00 0.24 C ATOM 1014 OE1 GLN A 65 -5.423 -1.766 6.130 1.00 0.81 O ATOM 1015 NE2 GLN A 65 -7.573 -1.162 6.235 1.00 0.31 N ATOM 0 H GLN A 65 -5.100 -4.347 1.774 1.00 0.08 H new ATOM 0 HA GLN A 65 -7.058 -2.408 2.550 1.00 0.09 H new ATOM 0 HB2 GLN A 65 -6.081 -4.604 3.710 1.00 0.10 H new ATOM 0 HB3 GLN A 65 -4.963 -3.455 4.418 1.00 0.10 H new ATOM 0 HG2 GLN A 65 -7.948 -2.957 4.510 1.00 0.10 H new ATOM 0 HG3 GLN A 65 -7.184 -4.020 5.675 1.00 0.10 H new ATOM 0 HE21 GLN A 65 -8.539 -1.365 5.978 1.00 0.31 H new ATOM 0 HE22 GLN A 65 -7.356 -0.336 6.792 1.00 0.31 H new ATOM 1024 N ILE A 66 -3.850 -1.631 2.794 1.00 0.02 N ATOM 1025 CA ILE A 66 -2.906 -0.527 2.894 1.00 0.03 C ATOM 1026 C ILE A 66 -3.149 0.485 1.778 1.00 0.05 C ATOM 1027 O ILE A 66 -3.216 1.695 2.019 1.00 0.18 O ATOM 1028 CB ILE A 66 -1.444 -1.035 2.824 1.00 0.10 C ATOM 1029 CG1 ILE A 66 -1.112 -1.860 4.068 1.00 0.74 C ATOM 1030 CG2 ILE A 66 -0.471 0.129 2.679 1.00 0.71 C ATOM 1031 CD1 ILE A 66 0.142 -2.696 3.928 1.00 1.29 C ATOM 0 H ILE A 66 -3.411 -2.545 2.686 1.00 0.02 H new ATOM 0 HA ILE A 66 -3.061 -0.044 3.859 1.00 0.03 H new ATOM 0 HB ILE A 66 -1.343 -1.671 1.945 1.00 0.10 H new ATOM 0 HG12 ILE A 66 -0.997 -1.188 4.918 1.00 0.74 H new ATOM 0 HG13 ILE A 66 -1.952 -2.517 4.292 1.00 0.74 H new ATOM 0 HG21 ILE A 66 0.549 -0.253 2.632 1.00 0.71 H new ATOM 0 HG22 ILE A 66 -0.695 0.679 1.765 1.00 0.71 H new ATOM 0 HG23 ILE A 66 -0.570 0.795 3.536 1.00 0.71 H new ATOM 0 HD11 ILE A 66 0.313 -3.253 4.849 1.00 1.29 H new ATOM 0 HD12 ILE A 66 0.024 -3.394 3.099 1.00 1.29 H new ATOM 0 HD13 ILE A 66 0.994 -2.044 3.735 1.00 1.29 H new ATOM 1043 N ALA A 67 -3.304 -0.026 0.559 1.00 0.07 N ATOM 1044 CA ALA A 67 -3.542 0.814 -0.606 1.00 0.05 C ATOM 1045 C ALA A 67 -4.824 1.625 -0.456 1.00 0.04 C ATOM 1046 O ALA A 67 -4.843 2.821 -0.744 1.00 0.03 O ATOM 1047 CB ALA A 67 -3.606 -0.035 -1.865 1.00 0.06 C ATOM 0 H ALA A 67 -3.268 -1.025 0.355 1.00 0.07 H new ATOM 0 HA ALA A 67 -2.709 1.513 -0.687 1.00 0.05 H new ATOM 0 HB1 ALA A 67 -3.784 0.607 -2.728 1.00 0.06 H new ATOM 0 HB2 ALA A 67 -2.662 -0.564 -1.995 1.00 0.06 H new ATOM 0 HB3 ALA A 67 -4.418 -0.757 -1.776 1.00 0.06 H new ATOM 1053 N SER A 68 -5.887 0.973 0.006 1.00 0.05 N ATOM 1054 CA SER A 68 -7.177 1.630 0.184 1.00 0.07 C ATOM 1055 C SER A 68 -7.068 2.825 1.128 1.00 0.08 C ATOM 1056 O SER A 68 -7.632 3.886 0.861 1.00 0.12 O ATOM 1057 CB SER A 68 -8.213 0.632 0.719 1.00 0.07 C ATOM 1058 OG SER A 68 -9.489 1.239 0.881 1.00 0.04 O ATOM 0 H SER A 68 -5.880 -0.014 0.265 1.00 0.05 H new ATOM 0 HA SER A 68 -7.501 1.997 -0.790 1.00 0.07 H new ATOM 0 HB2 SER A 68 -8.295 -0.211 0.033 1.00 0.07 H new ATOM 0 HB3 SER A 68 -7.875 0.233 1.675 1.00 0.07 H new ATOM 0 HG SER A 68 -10.030 0.704 1.498 1.00 0.04 H new ATOM 1064 N GLU A 69 -6.334 2.655 2.220 1.00 0.08 N ATOM 1065 CA GLU A 69 -6.177 3.716 3.209 1.00 0.14 C ATOM 1066 C GLU A 69 -5.286 4.850 2.693 1.00 0.10 C ATOM 1067 O GLU A 69 -5.609 6.026 2.853 1.00 0.10 O ATOM 1068 CB GLU A 69 -5.611 3.144 4.512 1.00 0.19 C ATOM 1069 CG GLU A 69 -6.495 2.075 5.141 1.00 0.29 C ATOM 1070 CD GLU A 69 -5.970 1.593 6.483 1.00 0.63 C ATOM 1071 OE1 GLU A 69 -4.768 1.276 6.580 1.00 0.79 O1- ATOM 1072 OE2 GLU A 69 -6.764 1.521 7.448 1.00 0.82 O ATOM 0 H GLU A 69 -5.837 1.793 2.444 1.00 0.08 H new ATOM 0 HA GLU A 69 -7.164 4.138 3.401 1.00 0.14 H new ATOM 0 HB2 GLU A 69 -4.626 2.720 4.316 1.00 0.19 H new ATOM 0 HB3 GLU A 69 -5.472 3.956 5.226 1.00 0.19 H new ATOM 0 HG2 GLU A 69 -7.502 2.472 5.271 1.00 0.29 H new ATOM 0 HG3 GLU A 69 -6.573 1.227 4.460 1.00 0.29 H new ATOM 1079 N TYR A 70 -4.179 4.493 2.052 1.00 0.07 N ATOM 1080 CA TYR A 70 -3.239 5.489 1.536 1.00 0.04 C ATOM 1081 C TYR A 70 -3.811 6.271 0.349 1.00 0.03 C ATOM 1082 O TYR A 70 -3.465 7.434 0.142 1.00 0.04 O ATOM 1083 CB TYR A 70 -1.913 4.831 1.148 1.00 0.05 C ATOM 1084 CG TYR A 70 -0.913 4.780 2.286 1.00 0.18 C ATOM 1085 CD1 TYR A 70 -0.017 5.822 2.496 1.00 0.36 C ATOM 1086 CD2 TYR A 70 -0.870 3.694 3.151 1.00 0.37 C ATOM 1087 CE1 TYR A 70 0.891 5.783 3.536 1.00 0.47 C ATOM 1088 CE2 TYR A 70 0.037 3.649 4.191 1.00 0.46 C ATOM 1089 CZ TYR A 70 0.913 4.693 4.380 1.00 0.44 C ATOM 1090 OH TYR A 70 1.812 4.652 5.418 1.00 0.58 O ATOM 0 H TYR A 70 -3.908 3.525 1.876 1.00 0.07 H new ATOM 0 HA TYR A 70 -3.062 6.203 2.340 1.00 0.04 H new ATOM 0 HB2 TYR A 70 -2.107 3.817 0.799 1.00 0.05 H new ATOM 0 HB3 TYR A 70 -1.475 5.378 0.313 1.00 0.05 H new ATOM 0 HD1 TYR A 70 -0.031 6.676 1.835 1.00 0.36 H new ATOM 0 HD2 TYR A 70 -1.556 2.873 3.008 1.00 0.37 H new ATOM 0 HE1 TYR A 70 1.580 6.601 3.687 1.00 0.47 H new ATOM 0 HE2 TYR A 70 0.059 2.797 4.854 1.00 0.46 H new ATOM 0 HH TYR A 70 1.522 3.986 6.076 1.00 0.58 H new ATOM 1100 N LEU A 71 -4.684 5.638 -0.425 1.00 0.07 N ATOM 1101 CA LEU A 71 -5.292 6.294 -1.589 1.00 0.11 C ATOM 1102 C LEU A 71 -6.125 7.507 -1.171 1.00 0.12 C ATOM 1103 O LEU A 71 -6.200 8.499 -1.896 1.00 0.16 O ATOM 1104 CB LEU A 71 -6.156 5.306 -2.379 1.00 0.13 C ATOM 1105 CG LEU A 71 -5.446 4.647 -3.577 1.00 0.14 C ATOM 1106 CD1 LEU A 71 -6.075 3.310 -3.942 1.00 0.12 C ATOM 1107 CD2 LEU A 71 -5.467 5.573 -4.785 1.00 0.23 C ATOM 0 H LEU A 71 -4.989 4.677 -0.274 1.00 0.07 H new ATOM 0 HA LEU A 71 -4.483 6.642 -2.231 1.00 0.11 H new ATOM 0 HB2 LEU A 71 -6.500 4.524 -1.703 1.00 0.13 H new ATOM 0 HB3 LEU A 71 -7.042 5.827 -2.741 1.00 0.13 H new ATOM 0 HG LEU A 71 -4.414 4.464 -3.280 1.00 0.14 H new ATOM 0 HD11 LEU A 71 -5.545 2.878 -4.791 1.00 0.12 H new ATOM 0 HD12 LEU A 71 -6.009 2.632 -3.091 1.00 0.12 H new ATOM 0 HD13 LEU A 71 -7.122 3.460 -4.206 1.00 0.12 H new ATOM 0 HD21 LEU A 71 -4.961 5.091 -5.622 1.00 0.23 H new ATOM 0 HD22 LEU A 71 -6.499 5.788 -5.060 1.00 0.23 H new ATOM 0 HD23 LEU A 71 -4.956 6.504 -4.539 1.00 0.23 H new ATOM 1119 N LYS A 72 -6.733 7.427 0.005 1.00 0.13 N ATOM 1120 CA LYS A 72 -7.557 8.519 0.522 1.00 0.16 C ATOM 1121 C LYS A 72 -6.696 9.712 0.934 1.00 0.16 C ATOM 1122 O LYS A 72 -7.175 10.846 0.999 1.00 0.30 O ATOM 1123 CB LYS A 72 -8.380 8.049 1.725 1.00 0.18 C ATOM 1124 CG LYS A 72 -8.811 6.594 1.642 1.00 0.18 C ATOM 1125 CD LYS A 72 -10.082 6.319 2.424 1.00 0.22 C ATOM 1126 CE LYS A 72 -10.529 4.876 2.244 1.00 0.25 C ATOM 1127 NZ LYS A 72 -10.311 4.394 0.849 1.00 0.24 N1+ ATOM 0 H LYS A 72 -6.673 6.617 0.622 1.00 0.13 H new ATOM 0 HA LYS A 72 -8.229 8.830 -0.278 1.00 0.16 H new ATOM 0 HB2 LYS A 72 -7.794 8.194 2.633 1.00 0.18 H new ATOM 0 HB3 LYS A 72 -9.267 8.676 1.814 1.00 0.18 H new ATOM 0 HG2 LYS A 72 -8.965 6.323 0.598 1.00 0.18 H new ATOM 0 HG3 LYS A 72 -8.010 5.959 2.021 1.00 0.18 H new ATOM 0 HD2 LYS A 72 -9.914 6.523 3.482 1.00 0.22 H new ATOM 0 HD3 LYS A 72 -10.872 6.993 2.091 1.00 0.22 H new ATOM 0 HE2 LYS A 72 -9.982 4.238 2.938 1.00 0.25 H new ATOM 0 HE3 LYS A 72 -11.586 4.789 2.497 1.00 0.25 H new ATOM 0 HZ1 LYS A 72 -10.779 3.474 0.723 1.00 0.24 H new ATOM 0 HZ2 LYS A 72 -10.711 5.081 0.178 1.00 0.24 H new ATOM 0 HZ3 LYS A 72 -9.291 4.291 0.673 1.00 0.24 H new ATOM 1141 N LEU A 73 -5.425 9.455 1.206 1.00 0.03 N ATOM 1142 CA LEU A 73 -4.504 10.504 1.624 1.00 0.05 C ATOM 1143 C LEU A 73 -4.092 11.360 0.430 1.00 0.05 C ATOM 1144 O LEU A 73 -4.042 12.586 0.518 1.00 0.10 O ATOM 1145 CB LEU A 73 -3.275 9.874 2.302 1.00 0.14 C ATOM 1146 CG LEU A 73 -2.307 10.829 3.034 1.00 0.17 C ATOM 1147 CD1 LEU A 73 -1.333 11.481 2.064 1.00 0.18 C ATOM 1148 CD2 LEU A 73 -3.059 11.892 3.824 1.00 0.24 C ATOM 0 H LEU A 73 -5.006 8.527 1.145 1.00 0.03 H new ATOM 0 HA LEU A 73 -5.003 11.154 2.343 1.00 0.05 H new ATOM 0 HB2 LEU A 73 -3.628 9.134 3.021 1.00 0.14 H new ATOM 0 HB3 LEU A 73 -2.709 9.336 1.542 1.00 0.14 H new ATOM 0 HG LEU A 73 -1.736 10.225 3.739 1.00 0.17 H new ATOM 0 HD11 LEU A 73 -0.666 12.147 2.611 1.00 0.18 H new ATOM 0 HD12 LEU A 73 -0.747 10.710 1.564 1.00 0.18 H new ATOM 0 HD13 LEU A 73 -1.888 12.054 1.321 1.00 0.18 H new ATOM 0 HD21 LEU A 73 -2.345 12.545 4.326 1.00 0.24 H new ATOM 0 HD22 LEU A 73 -3.676 12.481 3.145 1.00 0.24 H new ATOM 0 HD23 LEU A 73 -3.695 11.411 4.567 1.00 0.24 H new ATOM 1160 N LYS A 74 -3.808 10.714 -0.686 1.00 0.10 N ATOM 1161 CA LYS A 74 -3.398 11.436 -1.876 1.00 0.18 C ATOM 1162 C LYS A 74 -4.589 12.122 -2.543 1.00 0.21 C ATOM 1163 O LYS A 74 -4.428 13.117 -3.250 1.00 0.29 O ATOM 1164 CB LYS A 74 -2.688 10.503 -2.859 1.00 0.23 C ATOM 1165 CG LYS A 74 -3.582 9.436 -3.472 1.00 0.11 C ATOM 1166 CD LYS A 74 -2.895 8.720 -4.623 1.00 0.18 C ATOM 1167 CE LYS A 74 -2.682 9.643 -5.816 1.00 0.26 C ATOM 1168 NZ LYS A 74 -3.019 8.975 -7.099 1.00 0.15 N1+ ATOM 0 H LYS A 74 -3.853 9.701 -0.793 1.00 0.10 H new ATOM 0 HA LYS A 74 -2.694 12.211 -1.571 1.00 0.18 H new ATOM 0 HB2 LYS A 74 -2.255 11.101 -3.661 1.00 0.23 H new ATOM 0 HB3 LYS A 74 -1.861 10.014 -2.344 1.00 0.23 H new ATOM 0 HG2 LYS A 74 -3.861 8.711 -2.707 1.00 0.11 H new ATOM 0 HG3 LYS A 74 -4.505 9.895 -3.828 1.00 0.11 H new ATOM 0 HD2 LYS A 74 -1.933 8.332 -4.288 1.00 0.18 H new ATOM 0 HD3 LYS A 74 -3.496 7.863 -4.929 1.00 0.18 H new ATOM 0 HE2 LYS A 74 -3.297 10.536 -5.699 1.00 0.26 H new ATOM 0 HE3 LYS A 74 -1.643 9.972 -5.840 1.00 0.26 H new ATOM 0 HZ1 LYS A 74 -2.861 9.636 -7.886 1.00 0.15 H new ATOM 0 HZ2 LYS A 74 -2.415 8.137 -7.223 1.00 0.15 H new ATOM 0 HZ3 LYS A 74 -4.017 8.684 -7.087 1.00 0.15 H new ATOM 1182 N GLU A 75 -5.787 11.596 -2.308 1.00 0.18 N ATOM 1183 CA GLU A 75 -6.992 12.178 -2.883 1.00 0.27 C ATOM 1184 C GLU A 75 -7.335 13.487 -2.173 1.00 0.23 C ATOM 1185 O GLU A 75 -7.709 14.473 -2.814 1.00 0.32 O ATOM 1186 CB GLU A 75 -8.160 11.192 -2.786 1.00 0.36 C ATOM 1187 CG GLU A 75 -9.326 11.520 -3.710 1.00 0.51 C ATOM 1188 CD GLU A 75 -8.960 11.435 -5.180 1.00 0.97 C ATOM 1189 OE1 GLU A 75 -8.436 10.381 -5.613 1.00 1.47 O ATOM 1190 OE2 GLU A 75 -9.216 12.411 -5.916 1.00 1.57 O1- ATOM 0 H GLU A 75 -5.948 10.773 -1.727 1.00 0.18 H new ATOM 0 HA GLU A 75 -6.810 12.391 -3.936 1.00 0.27 H new ATOM 0 HB2 GLU A 75 -7.797 10.191 -3.017 1.00 0.36 H new ATOM 0 HB3 GLU A 75 -8.520 11.171 -1.757 1.00 0.36 H new ATOM 0 HG2 GLU A 75 -10.148 10.834 -3.506 1.00 0.51 H new ATOM 0 HG3 GLU A 75 -9.686 12.525 -3.489 1.00 0.51 H new ATOM 1197 N GLU A 76 -7.175 13.505 -0.848 1.00 0.13 N ATOM 1198 CA GLU A 76 -7.462 14.701 -0.060 1.00 0.10 C ATOM 1199 C GLU A 76 -6.476 15.814 -0.409 1.00 0.05 C ATOM 1200 O GLU A 76 -6.782 16.997 -0.261 1.00 0.03 O ATOM 1201 CB GLU A 76 -7.416 14.403 1.447 1.00 0.10 C ATOM 1202 CG GLU A 76 -6.009 14.315 2.023 1.00 0.19 C ATOM 1203 CD GLU A 76 -5.975 14.492 3.524 1.00 0.51 C ATOM 1204 OE1 GLU A 76 -6.637 13.708 4.235 1.00 1.56 O ATOM 1205 OE2 GLU A 76 -5.284 15.418 4.005 1.00 0.59 O1- ATOM 0 H GLU A 76 -6.850 12.707 -0.302 1.00 0.13 H new ATOM 0 HA GLU A 76 -8.472 15.030 -0.306 1.00 0.10 H new ATOM 0 HB2 GLU A 76 -7.965 15.181 1.977 1.00 0.10 H new ATOM 0 HB3 GLU A 76 -7.933 13.462 1.636 1.00 0.10 H new ATOM 0 HG2 GLU A 76 -5.577 13.348 1.767 1.00 0.19 H new ATOM 0 HG3 GLU A 76 -5.383 15.077 1.558 1.00 0.19 H new ATOM 1212 N TYR A 77 -5.297 15.420 -0.884 1.00 0.06 N ATOM 1213 CA TYR A 77 -4.265 16.371 -1.276 1.00 0.05 C ATOM 1214 C TYR A 77 -4.792 17.255 -2.399 1.00 0.07 C ATOM 1215 O TYR A 77 -4.648 18.478 -2.369 1.00 0.11 O ATOM 1216 CB TYR A 77 -2.999 15.618 -1.719 1.00 0.09 C ATOM 1217 CG TYR A 77 -1.878 16.495 -2.249 1.00 0.12 C ATOM 1218 CD1 TYR A 77 -1.653 17.770 -1.740 1.00 0.14 C ATOM 1219 CD2 TYR A 77 -1.036 16.036 -3.255 1.00 0.12 C ATOM 1220 CE1 TYR A 77 -0.629 18.560 -2.217 1.00 0.17 C ATOM 1221 CE2 TYR A 77 -0.007 16.823 -3.739 1.00 0.16 C ATOM 1222 CZ TYR A 77 0.191 18.082 -3.218 1.00 0.18 C ATOM 1223 OH TYR A 77 1.212 18.869 -3.700 1.00 0.21 O ATOM 0 H TYR A 77 -5.033 14.442 -1.006 1.00 0.06 H new ATOM 0 HA TYR A 77 -4.005 17.002 -0.426 1.00 0.05 H new ATOM 0 HB2 TYR A 77 -2.621 15.045 -0.872 1.00 0.09 H new ATOM 0 HB3 TYR A 77 -3.274 14.900 -2.492 1.00 0.09 H new ATOM 0 HD1 TYR A 77 -2.293 18.148 -0.956 1.00 0.14 H new ATOM 0 HD2 TYR A 77 -1.188 15.049 -3.665 1.00 0.12 H new ATOM 0 HE1 TYR A 77 -0.470 19.547 -1.809 1.00 0.17 H new ATOM 0 HE2 TYR A 77 0.638 16.452 -4.522 1.00 0.16 H new ATOM 0 HH TYR A 77 1.696 18.384 -4.401 1.00 0.21 H new ATOM 1233 N GLN A 78 -5.437 16.626 -3.373 1.00 0.10 N ATOM 1234 CA GLN A 78 -6.003 17.347 -4.505 1.00 0.13 C ATOM 1235 C GLN A 78 -7.190 18.195 -4.063 1.00 0.06 C ATOM 1236 O GLN A 78 -7.461 19.247 -4.639 1.00 0.08 O ATOM 1237 CB GLN A 78 -6.435 16.369 -5.600 1.00 0.19 C ATOM 1238 CG GLN A 78 -5.278 15.795 -6.402 1.00 0.23 C ATOM 1239 CD GLN A 78 -4.575 16.837 -7.247 1.00 0.31 C ATOM 1240 OE1 GLN A 78 -5.175 17.826 -7.669 1.00 0.51 O ATOM 1241 NE2 GLN A 78 -3.299 16.617 -7.509 1.00 0.26 N ATOM 0 H GLN A 78 -5.581 15.617 -3.401 1.00 0.10 H new ATOM 0 HA GLN A 78 -5.234 18.007 -4.907 1.00 0.13 H new ATOM 0 HB2 GLN A 78 -6.990 15.550 -5.144 1.00 0.19 H new ATOM 0 HB3 GLN A 78 -7.119 16.878 -6.280 1.00 0.19 H new ATOM 0 HG2 GLN A 78 -4.559 15.342 -5.720 1.00 0.23 H new ATOM 0 HG3 GLN A 78 -5.649 15.000 -7.048 1.00 0.23 H new ATOM 0 HE21 GLN A 78 -2.839 15.785 -7.140 1.00 0.26 H new ATOM 0 HE22 GLN A 78 -2.774 17.279 -8.080 1.00 0.26 H new ATOM 1250 N ARG A 79 -7.869 17.748 -3.009 1.00 0.04 N ATOM 1251 CA ARG A 79 -9.029 18.456 -2.487 1.00 0.11 C ATOM 1252 C ARG A 79 -8.581 19.743 -1.809 1.00 0.17 C ATOM 1253 O ARG A 79 -9.184 20.801 -1.976 1.00 0.29 O ATOM 1254 CB ARG A 79 -9.801 17.575 -1.496 1.00 0.18 C ATOM 1255 CG ARG A 79 -11.069 18.223 -0.957 1.00 0.46 C ATOM 1256 CD ARG A 79 -12.081 18.466 -2.066 1.00 0.78 C ATOM 1257 NE ARG A 79 -13.256 19.201 -1.602 1.00 1.20 N ATOM 1258 CZ ARG A 79 -14.047 19.913 -2.404 1.00 0.98 C ATOM 1259 NH1 ARG A 79 -13.753 20.034 -3.694 1.00 0.63 N1+ ATOM 1260 NH2 ARG A 79 -15.118 20.521 -1.918 1.00 1.78 N ATOM 0 H ARG A 79 -7.633 16.896 -2.500 1.00 0.04 H new ATOM 0 HA ARG A 79 -9.694 18.699 -3.316 1.00 0.11 H new ATOM 0 HB2 ARG A 79 -10.063 16.637 -1.986 1.00 0.18 H new ATOM 0 HB3 ARG A 79 -9.148 17.326 -0.660 1.00 0.18 H new ATOM 0 HG2 ARG A 79 -11.510 17.583 -0.193 1.00 0.46 H new ATOM 0 HG3 ARG A 79 -10.820 19.169 -0.476 1.00 0.46 H new ATOM 0 HD2 ARG A 79 -11.604 19.022 -2.873 1.00 0.78 H new ATOM 0 HD3 ARG A 79 -12.396 17.509 -2.482 1.00 0.78 H new ATOM 0 HE ARG A 79 -13.483 19.167 -0.608 1.00 1.20 H new ATOM 0 HH11 ARG A 79 -12.921 19.581 -4.072 1.00 0.63 H new ATOM 0 HH12 ARG A 79 -14.360 20.579 -4.306 1.00 0.63 H new ATOM 0 HH21 ARG A 79 -15.341 20.446 -0.925 1.00 1.78 H new ATOM 0 HH22 ARG A 79 -15.720 21.065 -2.536 1.00 1.78 H new ATOM 1274 N LEU A 80 -7.507 19.631 -1.047 1.00 0.11 N ATOM 1275 CA LEU A 80 -6.943 20.764 -0.333 1.00 0.17 C ATOM 1276 C LEU A 80 -6.400 21.802 -1.309 1.00 0.18 C ATOM 1277 O LEU A 80 -6.609 23.002 -1.134 1.00 0.22 O ATOM 1278 CB LEU A 80 -5.824 20.283 0.591 1.00 0.19 C ATOM 1279 CG LEU A 80 -4.955 21.386 1.198 1.00 0.22 C ATOM 1280 CD1 LEU A 80 -5.637 21.992 2.414 1.00 0.25 C ATOM 1281 CD2 LEU A 80 -3.580 20.845 1.563 1.00 0.23 C ATOM 0 H LEU A 80 -7.003 18.756 -0.906 1.00 0.11 H new ATOM 0 HA LEU A 80 -7.730 21.229 0.260 1.00 0.17 H new ATOM 0 HB2 LEU A 80 -6.268 19.706 1.402 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -5.181 19.604 0.032 1.00 0.19 H new ATOM 0 HG LEU A 80 -4.824 22.171 0.453 1.00 0.22 H new ATOM 0 HD11 LEU A 80 -5.005 22.775 2.833 1.00 0.25 H new ATOM 0 HD12 LEU A 80 -6.595 22.419 2.119 1.00 0.25 H new ATOM 0 HD13 LEU A 80 -5.800 21.217 3.163 1.00 0.25 H new ATOM 0 HD21 LEU A 80 -2.977 21.645 1.993 1.00 0.23 H new ATOM 0 HD22 LEU A 80 -3.687 20.040 2.290 1.00 0.23 H new ATOM 0 HD23 LEU A 80 -3.090 20.463 0.668 1.00 0.23 H new ATOM 1293 N ARG A 81 -5.708 21.328 -2.341 1.00 0.17 N ATOM 1294 CA ARG A 81 -5.125 22.214 -3.340 1.00 0.21 C ATOM 1295 C ARG A 81 -6.204 22.935 -4.142 1.00 0.22 C ATOM 1296 O ARG A 81 -6.124 24.147 -4.348 1.00 0.31 O ATOM 1297 CB ARG A 81 -4.211 21.438 -4.288 1.00 0.21 C ATOM 1298 CG ARG A 81 -3.016 20.796 -3.601 1.00 0.25 C ATOM 1299 CD ARG A 81 -1.805 20.763 -4.518 1.00 0.43 C ATOM 1300 NE ARG A 81 -1.348 22.102 -4.882 1.00 0.50 N ATOM 1301 CZ ARG A 81 -0.067 22.435 -5.032 1.00 0.50 C ATOM 1302 NH1 ARG A 81 0.893 21.539 -4.827 1.00 0.71 N1+ ATOM 1303 NH2 ARG A 81 0.262 23.669 -5.384 1.00 0.54 N ATOM 0 H ARG A 81 -5.538 20.336 -2.506 1.00 0.17 H new ATOM 0 HA ARG A 81 -4.535 22.959 -2.807 1.00 0.21 H new ATOM 0 HB2 ARG A 81 -4.793 20.662 -4.784 1.00 0.21 H new ATOM 0 HB3 ARG A 81 -3.852 22.113 -5.065 1.00 0.21 H new ATOM 0 HG2 ARG A 81 -2.774 21.351 -2.695 1.00 0.25 H new ATOM 0 HG3 ARG A 81 -3.271 19.781 -3.295 1.00 0.25 H new ATOM 0 HD2 ARG A 81 -0.994 20.226 -4.026 1.00 0.43 H new ATOM 0 HD3 ARG A 81 -2.052 20.208 -5.423 1.00 0.43 H new ATOM 0 HE ARG A 81 -2.052 22.825 -5.030 1.00 0.50 H new ATOM 0 HH11 ARG A 81 0.652 20.587 -4.552 1.00 0.71 H new ATOM 0 HH12 ARG A 81 1.871 21.804 -4.944 1.00 0.71 H new ATOM 0 HH21 ARG A 81 -0.466 24.366 -5.541 1.00 0.54 H new ATOM 0 HH22 ARG A 81 1.243 23.922 -5.498 1.00 0.54 H new ATOM 1317 N GLU A 82 -7.215 22.196 -4.595 1.00 0.13 N ATOM 1318 CA GLU A 82 -8.290 22.794 -5.379 1.00 0.14 C ATOM 1319 C GLU A 82 -9.123 23.735 -4.515 1.00 0.14 C ATOM 1320 O GLU A 82 -9.758 24.654 -5.024 1.00 0.14 O ATOM 1321 CB GLU A 82 -9.171 21.715 -6.022 1.00 0.14 C ATOM 1322 CG GLU A 82 -10.187 21.092 -5.080 1.00 0.06 C ATOM 1323 CD GLU A 82 -10.978 19.978 -5.734 1.00 0.18 C ATOM 1324 OE1 GLU A 82 -10.978 19.899 -6.978 1.00 1.21 O1- ATOM 1325 OE2 GLU A 82 -11.606 19.181 -5.010 1.00 0.84 O ATOM 0 H GLU A 82 -7.311 21.193 -4.434 1.00 0.13 H new ATOM 0 HA GLU A 82 -7.840 23.376 -6.183 1.00 0.14 H new ATOM 0 HB2 GLU A 82 -9.699 22.152 -6.869 1.00 0.14 H new ATOM 0 HB3 GLU A 82 -8.530 20.928 -6.418 1.00 0.14 H new ATOM 0 HG2 GLU A 82 -9.672 20.701 -4.203 1.00 0.06 H new ATOM 0 HG3 GLU A 82 -10.873 21.863 -4.729 1.00 0.06 H new ATOM 1332 N GLN A 83 -9.104 23.505 -3.205 1.00 0.14 N ATOM 1333 CA GLN A 83 -9.838 24.344 -2.263 1.00 0.14 C ATOM 1334 C GLN A 83 -9.240 25.744 -2.258 1.00 0.13 C ATOM 1335 O GLN A 83 -9.950 26.745 -2.154 1.00 0.13 O ATOM 1336 CB GLN A 83 -9.772 23.750 -0.854 1.00 0.14 C ATOM 1337 CG GLN A 83 -10.936 24.150 0.034 1.00 0.11 C ATOM 1338 CD GLN A 83 -12.141 23.254 -0.156 1.00 0.55 C ATOM 1339 OE1 GLN A 83 -13.001 23.521 -0.994 1.00 0.86 O ATOM 1340 NE2 GLN A 83 -12.219 22.192 0.629 1.00 0.65 N ATOM 0 H GLN A 83 -8.586 22.741 -2.771 1.00 0.14 H new ATOM 0 HA GLN A 83 -10.882 24.392 -2.573 1.00 0.14 H new ATOM 0 HB2 GLN A 83 -9.741 22.663 -0.929 1.00 0.14 H new ATOM 0 HB3 GLN A 83 -8.841 24.063 -0.381 1.00 0.14 H new ATOM 0 HG2 GLN A 83 -10.622 24.116 1.077 1.00 0.11 H new ATOM 0 HG3 GLN A 83 -11.216 25.181 -0.181 1.00 0.11 H new ATOM 0 HE21 GLN A 83 -11.484 22.007 1.311 1.00 0.65 H new ATOM 0 HE22 GLN A 83 -13.014 21.558 0.552 1.00 0.65 H new ATOM 1349 N LEU A 84 -7.920 25.801 -2.389 1.00 0.13 N ATOM 1350 CA LEU A 84 -7.195 27.063 -2.415 1.00 0.10 C ATOM 1351 C LEU A 84 -7.388 27.744 -3.769 1.00 0.05 C ATOM 1352 O LEU A 84 -7.204 28.952 -3.911 1.00 0.17 O ATOM 1353 CB LEU A 84 -5.707 26.807 -2.156 1.00 0.13 C ATOM 1354 CG LEU A 84 -4.818 28.060 -2.078 1.00 0.14 C ATOM 1355 CD1 LEU A 84 -5.143 28.879 -0.835 1.00 0.15 C ATOM 1356 CD2 LEU A 84 -3.336 27.689 -2.095 1.00 0.15 C ATOM 0 H LEU A 84 -7.325 24.977 -2.480 1.00 0.13 H new ATOM 0 HA LEU A 84 -7.582 27.719 -1.635 1.00 0.10 H new ATOM 0 HB2 LEU A 84 -5.609 26.256 -1.221 1.00 0.13 H new ATOM 0 HB3 LEU A 84 -5.325 26.162 -2.947 1.00 0.13 H new ATOM 0 HG LEU A 84 -5.027 28.667 -2.959 1.00 0.14 H new ATOM 0 HD11 LEU A 84 -4.502 29.760 -0.802 1.00 0.15 H new ATOM 0 HD12 LEU A 84 -6.187 29.191 -0.868 1.00 0.15 H new ATOM 0 HD13 LEU A 84 -4.973 28.273 0.055 1.00 0.15 H new ATOM 0 HD21 LEU A 84 -2.733 28.595 -2.039 1.00 0.15 H new ATOM 0 HD22 LEU A 84 -3.111 27.050 -1.241 1.00 0.15 H new ATOM 0 HD23 LEU A 84 -3.105 27.156 -3.017 1.00 0.15 H new ATOM 1368 N LYS A 85 -7.760 26.946 -4.759 1.00 0.12 N ATOM 1369 CA LYS A 85 -8.000 27.446 -6.107 1.00 0.08 C ATOM 1370 C LYS A 85 -9.488 27.712 -6.307 1.00 0.11 C ATOM 1371 O LYS A 85 -9.941 28.019 -7.411 1.00 0.11 O ATOM 1372 CB LYS A 85 -7.493 26.441 -7.144 1.00 0.02 C ATOM 1373 CG LYS A 85 -5.992 26.203 -7.072 1.00 0.15 C ATOM 1374 CD LYS A 85 -5.517 25.267 -8.175 1.00 0.18 C ATOM 1375 CE LYS A 85 -5.854 23.814 -7.875 1.00 0.27 C ATOM 1376 NZ LYS A 85 -5.101 22.872 -8.749 1.00 0.48 N1+ ATOM 0 H LYS A 85 -7.903 25.942 -4.654 1.00 0.12 H new ATOM 0 HA LYS A 85 -7.456 28.381 -6.239 1.00 0.08 H new ATOM 0 HB2 LYS A 85 -8.011 25.492 -7.003 1.00 0.02 H new ATOM 0 HB3 LYS A 85 -7.749 26.799 -8.141 1.00 0.02 H new ATOM 0 HG2 LYS A 85 -5.468 27.156 -7.152 1.00 0.15 H new ATOM 0 HG3 LYS A 85 -5.737 25.780 -6.100 1.00 0.15 H new ATOM 0 HD2 LYS A 85 -5.976 25.558 -9.120 1.00 0.18 H new ATOM 0 HD3 LYS A 85 -4.439 25.371 -8.299 1.00 0.18 H new ATOM 0 HE2 LYS A 85 -5.628 23.598 -6.831 1.00 0.27 H new ATOM 0 HE3 LYS A 85 -6.924 23.655 -8.009 1.00 0.27 H new ATOM 0 HZ1 LYS A 85 -5.361 21.894 -8.510 1.00 0.48 H new ATOM 0 HZ2 LYS A 85 -5.335 23.060 -9.745 1.00 0.48 H new ATOM 0 HZ3 LYS A 85 -4.080 23.004 -8.603 1.00 0.48 H new ATOM 1390 N LYS A 86 -10.241 27.592 -5.224 1.00 0.23 N ATOM 1391 CA LYS A 86 -11.674 27.813 -5.252 1.00 0.30 C ATOM 1392 C LYS A 86 -11.995 29.202 -4.717 1.00 0.31 C ATOM 1393 O LYS A 86 -11.957 30.166 -5.507 1.00 0.34 O ATOM 1394 CB LYS A 86 -12.394 26.748 -4.419 1.00 0.35 C ATOM 1395 CG LYS A 86 -13.421 25.942 -5.198 1.00 0.42 C ATOM 1396 CD LYS A 86 -12.764 25.053 -6.243 1.00 0.38 C ATOM 1397 CE LYS A 86 -13.666 23.890 -6.631 1.00 0.40 C ATOM 1398 NZ LYS A 86 -14.875 24.335 -7.377 1.00 0.64 N1+ ATOM 1399 OXT LYS A 86 -12.259 29.330 -3.500 1.00 0.35 O1- ATOM 0 H LYS A 86 -9.875 27.340 -4.306 1.00 0.23 H new ATOM 0 HA LYS A 86 -12.020 27.740 -6.283 1.00 0.30 H new ATOM 0 HB2 LYS A 86 -11.653 26.066 -4.002 1.00 0.35 H new ATOM 0 HB3 LYS A 86 -12.890 27.233 -3.578 1.00 0.35 H new ATOM 0 HG2 LYS A 86 -14.000 25.327 -4.509 1.00 0.42 H new ATOM 0 HG3 LYS A 86 -14.122 26.620 -5.686 1.00 0.42 H new ATOM 0 HD2 LYS A 86 -12.528 25.643 -7.128 1.00 0.38 H new ATOM 0 HD3 LYS A 86 -11.820 24.670 -5.855 1.00 0.38 H new ATOM 0 HE2 LYS A 86 -13.103 23.186 -7.243 1.00 0.40 H new ATOM 0 HE3 LYS A 86 -13.973 23.356 -5.732 1.00 0.40 H new ATOM 0 HZ1 LYS A 86 -15.457 23.508 -7.619 1.00 0.64 H new ATOM 0 HZ2 LYS A 86 -15.428 24.987 -6.785 1.00 0.64 H new ATOM 0 HZ3 LYS A 86 -14.585 24.821 -8.249 1.00 0.64 H new TER 1413 LYS A 86 ATOM 1414 N GLY B 1 -27.148 -9.834 8.328 1.00 1.09 N ATOM 1415 CA GLY B 1 -27.936 -8.828 9.080 1.00 0.31 C ATOM 1416 C GLY B 1 -27.053 -7.755 9.682 1.00 0.29 C ATOM 1417 O GLY B 1 -26.126 -8.061 10.432 1.00 0.69 O ATOM 0 H1 GLY B 1 -27.789 -10.551 7.932 1.00 1.09 H new ATOM 0 H2 GLY B 1 -26.633 -9.365 7.556 1.00 1.09 H new ATOM 0 H3 GLY B 1 -26.469 -10.293 8.969 1.00 1.09 H new ATOM 0 HA2 GLY B 1 -28.666 -8.367 8.414 1.00 0.31 H new ATOM 0 HA3 GLY B 1 -28.496 -9.324 9.872 1.00 0.31 H new ATOM 1423 N SER B 2 -27.329 -6.502 9.345 1.00 0.38 N ATOM 1424 CA SER B 2 -26.556 -5.381 9.855 1.00 0.63 C ATOM 1425 C SER B 2 -26.931 -5.083 11.306 1.00 0.42 C ATOM 1426 O SER B 2 -26.103 -5.216 12.208 1.00 0.44 O ATOM 1427 CB SER B 2 -26.806 -4.154 8.981 1.00 1.08 C ATOM 1428 OG SER B 2 -27.570 -4.503 7.839 1.00 1.47 O ATOM 0 H SER B 2 -28.088 -6.237 8.717 1.00 0.38 H new ATOM 0 HA SER B 2 -25.497 -5.637 9.825 1.00 0.63 H new ATOM 0 HB2 SER B 2 -27.330 -3.391 9.557 1.00 1.08 H new ATOM 0 HB3 SER B 2 -25.855 -3.722 8.671 1.00 1.08 H new ATOM 0 HG SER B 2 -27.722 -3.705 7.291 1.00 1.47 H new ATOM 1434 N HIS B 3 -28.191 -4.694 11.512 1.00 0.34 N ATOM 1435 CA HIS B 3 -28.717 -4.369 12.841 1.00 0.24 C ATOM 1436 C HIS B 3 -27.861 -3.315 13.535 1.00 0.25 C ATOM 1437 O HIS B 3 -27.527 -3.443 14.710 1.00 0.45 O ATOM 1438 CB HIS B 3 -28.825 -5.625 13.713 1.00 0.41 C ATOM 1439 CG HIS B 3 -29.910 -6.558 13.273 1.00 0.33 C ATOM 1440 ND1 HIS B 3 -31.134 -6.640 13.898 1.00 0.95 N ATOM 1441 CD2 HIS B 3 -29.955 -7.440 12.248 1.00 1.09 C ATOM 1442 CE1 HIS B 3 -31.884 -7.531 13.275 1.00 1.27 C ATOM 1443 NE2 HIS B 3 -31.191 -8.030 12.270 1.00 1.42 N ATOM 0 H HIS B 3 -28.876 -4.595 10.763 1.00 0.34 H new ATOM 0 HA HIS B 3 -29.717 -3.957 12.703 1.00 0.24 H new ATOM 0 HB2 HIS B 3 -27.872 -6.153 13.697 1.00 0.41 H new ATOM 0 HB3 HIS B 3 -29.007 -5.328 14.746 1.00 0.41 H new ATOM 0 HD2 HIS B 3 -29.163 -7.642 11.543 1.00 1.09 H new ATOM 0 HE1 HIS B 3 -32.894 -7.805 13.543 1.00 1.27 H new ATOM 0 HE2 HIS B 3 -31.521 -8.739 11.616 1.00 1.42 H new ATOM 1452 N MET B 4 -27.523 -2.270 12.797 1.00 0.16 N ATOM 1453 CA MET B 4 -26.709 -1.187 13.327 1.00 0.18 C ATOM 1454 C MET B 4 -27.441 0.138 13.165 1.00 0.37 C ATOM 1455 O MET B 4 -28.078 0.379 12.141 1.00 0.82 O ATOM 1456 CB MET B 4 -25.349 -1.136 12.620 1.00 0.24 C ATOM 1457 CG MET B 4 -25.443 -0.951 11.112 1.00 0.26 C ATOM 1458 SD MET B 4 -23.836 -1.012 10.292 1.00 0.45 S ATOM 1459 CE MET B 4 -23.325 -2.691 10.658 1.00 0.61 C ATOM 0 H MET B 4 -27.802 -2.148 11.823 1.00 0.16 H new ATOM 0 HA MET B 4 -26.534 -1.368 14.388 1.00 0.18 H new ATOM 0 HB2 MET B 4 -24.763 -0.319 13.040 1.00 0.24 H new ATOM 0 HB3 MET B 4 -24.807 -2.058 12.830 1.00 0.24 H new ATOM 0 HG2 MET B 4 -26.087 -1.726 10.696 1.00 0.26 H new ATOM 0 HG3 MET B 4 -25.918 0.007 10.898 1.00 0.26 H new ATOM 0 HE1 MET B 4 -22.554 -2.999 9.951 1.00 0.61 H new ATOM 0 HE2 MET B 4 -22.927 -2.738 11.672 1.00 0.61 H new ATOM 0 HE3 MET B 4 -24.182 -3.359 10.573 1.00 0.61 H new ATOM 1469 N THR B 5 -27.376 0.979 14.182 1.00 0.18 N ATOM 1470 CA THR B 5 -28.040 2.273 14.137 1.00 0.33 C ATOM 1471 C THR B 5 -27.085 3.364 13.665 1.00 0.22 C ATOM 1472 O THR B 5 -27.507 4.457 13.290 1.00 0.16 O ATOM 1473 CB THR B 5 -28.606 2.643 15.516 1.00 0.59 C ATOM 1474 OG1 THR B 5 -28.202 1.664 16.487 1.00 0.29 O ATOM 1475 CG2 THR B 5 -30.123 2.722 15.469 1.00 0.99 C ATOM 0 H THR B 5 -26.872 0.791 15.048 1.00 0.18 H new ATOM 0 HA THR B 5 -28.861 2.196 13.425 1.00 0.33 H new ATOM 0 HB THR B 5 -28.215 3.620 15.800 1.00 0.59 H new ATOM 0 HG1 THR B 5 -28.564 1.905 17.365 1.00 0.29 H new ATOM 0 HG21 THR B 5 -30.504 2.985 16.456 1.00 0.99 H new ATOM 0 HG22 THR B 5 -30.426 3.482 14.748 1.00 0.99 H new ATOM 0 HG23 THR B 5 -30.529 1.756 15.169 1.00 0.99 H new ATOM 1483 N GLU B 6 -25.800 3.054 13.665 1.00 0.23 N ATOM 1484 CA GLU B 6 -24.792 4.005 13.237 1.00 0.17 C ATOM 1485 C GLU B 6 -24.129 3.514 11.960 1.00 0.23 C ATOM 1486 O GLU B 6 -24.226 2.334 11.625 1.00 0.52 O ATOM 1487 CB GLU B 6 -23.750 4.207 14.340 1.00 0.15 C ATOM 1488 CG GLU B 6 -22.974 5.508 14.219 1.00 0.15 C ATOM 1489 CD GLU B 6 -23.866 6.676 13.871 1.00 1.15 C ATOM 1490 OE1 GLU B 6 -24.452 7.278 14.794 1.00 1.76 O ATOM 1491 OE2 GLU B 6 -23.994 6.988 12.670 1.00 1.72 O1- ATOM 0 H GLU B 6 -25.431 2.149 13.957 1.00 0.23 H new ATOM 0 HA GLU B 6 -25.270 4.964 13.038 1.00 0.17 H new ATOM 0 HB2 GLU B 6 -24.250 4.182 15.308 1.00 0.15 H new ATOM 0 HB3 GLU B 6 -23.048 3.373 14.321 1.00 0.15 H new ATOM 0 HG2 GLU B 6 -22.462 5.712 15.159 1.00 0.15 H new ATOM 0 HG3 GLU B 6 -22.205 5.400 13.454 1.00 0.15 H new ATOM 1498 N GLN B 7 -23.472 4.417 11.248 1.00 0.15 N ATOM 1499 CA GLN B 7 -22.792 4.064 10.011 1.00 0.22 C ATOM 1500 C GLN B 7 -21.279 4.047 10.219 1.00 0.22 C ATOM 1501 O GLN B 7 -20.629 5.088 10.170 1.00 0.45 O ATOM 1502 CB GLN B 7 -23.158 5.044 8.897 1.00 0.57 C ATOM 1503 CG GLN B 7 -22.832 4.526 7.507 1.00 0.48 C ATOM 1504 CD GLN B 7 -23.163 5.528 6.423 1.00 0.33 C ATOM 1505 OE1 GLN B 7 -23.070 6.738 6.629 1.00 0.26 O ATOM 1506 NE2 GLN B 7 -23.563 5.036 5.263 1.00 0.86 N ATOM 0 H GLN B 7 -23.395 5.401 11.506 1.00 0.15 H new ATOM 0 HA GLN B 7 -23.117 3.066 9.717 1.00 0.22 H new ATOM 0 HB2 GLN B 7 -24.224 5.265 8.954 1.00 0.57 H new ATOM 0 HB3 GLN B 7 -22.628 5.983 9.060 1.00 0.57 H new ATOM 0 HG2 GLN B 7 -21.772 4.276 7.455 1.00 0.48 H new ATOM 0 HG3 GLN B 7 -23.386 3.605 7.327 1.00 0.48 H new ATOM 0 HE21 GLN B 7 -23.627 4.026 5.132 1.00 0.86 H new ATOM 0 HE22 GLN B 7 -23.808 5.666 4.499 1.00 0.86 H new ATOM 1515 N PRO B 8 -20.707 2.866 10.487 1.00 0.27 N ATOM 1516 CA PRO B 8 -19.273 2.697 10.699 1.00 0.51 C ATOM 1517 C PRO B 8 -18.526 2.523 9.379 1.00 0.35 C ATOM 1518 O PRO B 8 -19.079 2.780 8.306 1.00 0.14 O ATOM 1519 CB PRO B 8 -19.183 1.412 11.541 1.00 0.80 C ATOM 1520 CG PRO B 8 -20.579 0.874 11.650 1.00 0.79 C ATOM 1521 CD PRO B 8 -21.401 1.585 10.615 1.00 0.38 C ATOM 0 HA PRO B 8 -18.821 3.564 11.181 1.00 0.51 H new ATOM 0 HB2 PRO B 8 -18.523 0.684 11.069 1.00 0.80 H new ATOM 0 HB3 PRO B 8 -18.771 1.623 12.528 1.00 0.80 H new ATOM 0 HG2 PRO B 8 -20.592 -0.203 11.481 1.00 0.79 H new ATOM 0 HG3 PRO B 8 -20.982 1.045 12.648 1.00 0.79 H new ATOM 0 HD2 PRO B 8 -21.425 1.040 9.671 1.00 0.38 H new ATOM 0 HD3 PRO B 8 -22.435 1.714 10.936 1.00 0.38 H new ATOM 1529 N LYS B 9 -17.263 2.113 9.464 1.00 0.47 N ATOM 1530 CA LYS B 9 -16.452 1.878 8.276 1.00 0.33 C ATOM 1531 C LYS B 9 -17.097 0.792 7.415 1.00 0.35 C ATOM 1532 O LYS B 9 -17.212 -0.359 7.843 1.00 0.52 O ATOM 1533 CB LYS B 9 -15.038 1.449 8.675 1.00 0.23 C ATOM 1534 CG LYS B 9 -14.215 2.552 9.330 1.00 0.28 C ATOM 1535 CD LYS B 9 -12.933 2.004 9.948 1.00 0.35 C ATOM 1536 CE LYS B 9 -12.108 3.107 10.596 1.00 0.69 C ATOM 1537 NZ LYS B 9 -11.364 3.916 9.596 1.00 0.89 N1+ ATOM 0 H LYS B 9 -16.780 1.937 10.345 1.00 0.47 H new ATOM 0 HA LYS B 9 -16.391 2.804 7.704 1.00 0.33 H new ATOM 0 HB2 LYS B 9 -15.106 0.605 9.361 1.00 0.23 H new ATOM 0 HB3 LYS B 9 -14.513 1.097 7.787 1.00 0.23 H new ATOM 0 HG2 LYS B 9 -13.966 3.311 8.588 1.00 0.28 H new ATOM 0 HG3 LYS B 9 -14.810 3.042 10.100 1.00 0.28 H new ATOM 0 HD2 LYS B 9 -13.182 1.249 10.694 1.00 0.35 H new ATOM 0 HD3 LYS B 9 -12.340 1.509 9.179 1.00 0.35 H new ATOM 0 HE2 LYS B 9 -12.765 3.759 11.171 1.00 0.69 H new ATOM 0 HE3 LYS B 9 -11.403 2.665 11.300 1.00 0.69 H new ATOM 0 HZ1 LYS B 9 -10.817 4.654 10.084 1.00 0.89 H new ATOM 0 HZ2 LYS B 9 -10.717 3.300 9.064 1.00 0.89 H new ATOM 0 HZ3 LYS B 9 -12.037 4.361 8.939 1.00 0.89 H new ATOM 1551 N THR B 10 -17.538 1.161 6.221 1.00 0.33 N ATOM 1552 CA THR B 10 -18.173 0.208 5.325 1.00 0.31 C ATOM 1553 C THR B 10 -17.146 -0.759 4.741 1.00 0.23 C ATOM 1554 O THR B 10 -15.974 -0.409 4.545 1.00 0.23 O ATOM 1555 CB THR B 10 -18.954 0.919 4.190 1.00 0.36 C ATOM 1556 OG1 THR B 10 -19.798 -0.017 3.508 1.00 0.42 O ATOM 1557 CG2 THR B 10 -18.012 1.577 3.191 1.00 0.28 C ATOM 0 H THR B 10 -17.468 2.109 5.852 1.00 0.33 H new ATOM 0 HA THR B 10 -18.891 -0.362 5.916 1.00 0.31 H new ATOM 0 HB THR B 10 -19.565 1.697 4.648 1.00 0.36 H new ATOM 0 HG1 THR B 10 -20.288 0.443 2.795 1.00 0.42 H new ATOM 0 HG21 THR B 10 -18.594 2.066 2.410 1.00 0.28 H new ATOM 0 HG22 THR B 10 -17.398 2.318 3.703 1.00 0.28 H new ATOM 0 HG23 THR B 10 -17.369 0.819 2.744 1.00 0.28 H new ATOM 1565 N ARG B 11 -17.589 -1.978 4.480 1.00 0.25 N ATOM 1566 CA ARG B 11 -16.726 -3.010 3.935 1.00 0.21 C ATOM 1567 C ARG B 11 -17.092 -3.299 2.487 1.00 0.27 C ATOM 1568 O ARG B 11 -18.260 -3.233 2.105 1.00 0.53 O ATOM 1569 CB ARG B 11 -16.832 -4.295 4.766 1.00 0.24 C ATOM 1570 CG ARG B 11 -18.243 -4.854 4.853 1.00 0.31 C ATOM 1571 CD ARG B 11 -18.263 -6.234 5.488 1.00 0.68 C ATOM 1572 NE ARG B 11 -18.729 -7.260 4.555 1.00 1.23 N ATOM 1573 CZ ARG B 11 -19.723 -8.112 4.811 1.00 1.21 C ATOM 1574 NH1 ARG B 11 -20.371 -8.060 5.969 1.00 1.36 N1+ ATOM 1575 NH2 ARG B 11 -20.061 -9.019 3.905 1.00 1.72 N ATOM 0 H ARG B 11 -18.551 -2.278 4.639 1.00 0.25 H new ATOM 0 HA ARG B 11 -15.698 -2.650 3.974 1.00 0.21 H new ATOM 0 HB2 ARG B 11 -16.177 -5.052 4.333 1.00 0.24 H new ATOM 0 HB3 ARG B 11 -16.467 -4.096 5.774 1.00 0.24 H new ATOM 0 HG2 ARG B 11 -18.867 -4.176 5.435 1.00 0.31 H new ATOM 0 HG3 ARG B 11 -18.676 -4.907 3.854 1.00 0.31 H new ATOM 0 HD2 ARG B 11 -17.261 -6.488 5.835 1.00 0.68 H new ATOM 0 HD3 ARG B 11 -18.910 -6.220 6.365 1.00 0.68 H new ATOM 0 HE ARG B 11 -18.264 -7.328 3.650 1.00 1.23 H new ATOM 0 HH11 ARG B 11 -20.110 -7.366 6.669 1.00 1.36 H new ATOM 0 HH12 ARG B 11 -21.130 -8.714 6.158 1.00 1.36 H new ATOM 0 HH21 ARG B 11 -19.562 -9.063 3.017 1.00 1.72 H new ATOM 0 HH22 ARG B 11 -20.820 -9.673 4.096 1.00 1.72 H new ATOM 1589 N VAL B 12 -16.089 -3.604 1.687 1.00 0.16 N ATOM 1590 CA VAL B 12 -16.297 -3.908 0.282 1.00 0.15 C ATOM 1591 C VAL B 12 -15.609 -5.221 -0.083 1.00 0.12 C ATOM 1592 O VAL B 12 -14.552 -5.548 0.460 1.00 0.17 O ATOM 1593 CB VAL B 12 -15.779 -2.767 -0.626 1.00 0.19 C ATOM 1594 CG1 VAL B 12 -14.264 -2.629 -0.529 1.00 0.13 C ATOM 1595 CG2 VAL B 12 -16.211 -2.981 -2.070 1.00 0.25 C ATOM 0 H VAL B 12 -15.115 -3.648 1.987 1.00 0.16 H new ATOM 0 HA VAL B 12 -17.370 -4.008 0.119 1.00 0.15 H new ATOM 0 HB VAL B 12 -16.223 -1.836 -0.273 1.00 0.19 H new ATOM 0 HG11 VAL B 12 -13.930 -1.819 -1.178 1.00 0.13 H new ATOM 0 HG12 VAL B 12 -13.984 -2.407 0.501 1.00 0.13 H new ATOM 0 HG13 VAL B 12 -13.793 -3.561 -0.840 1.00 0.13 H new ATOM 0 HG21 VAL B 12 -15.834 -2.165 -2.687 1.00 0.25 H new ATOM 0 HG22 VAL B 12 -15.809 -3.927 -2.434 1.00 0.25 H new ATOM 0 HG23 VAL B 12 -17.299 -3.004 -2.125 1.00 0.25 H new ATOM 1605 N SER B 13 -16.231 -5.976 -0.975 1.00 0.09 N ATOM 1606 CA SER B 13 -15.683 -7.241 -1.424 1.00 0.12 C ATOM 1607 C SER B 13 -15.203 -7.121 -2.867 1.00 0.18 C ATOM 1608 O SER B 13 -15.992 -6.841 -3.771 1.00 0.48 O ATOM 1609 CB SER B 13 -16.742 -8.337 -1.300 1.00 0.12 C ATOM 1610 OG SER B 13 -18.013 -7.777 -1.002 1.00 0.38 O ATOM 0 H SER B 13 -17.123 -5.730 -1.404 1.00 0.09 H new ATOM 0 HA SER B 13 -14.831 -7.505 -0.798 1.00 0.12 H new ATOM 0 HB2 SER B 13 -16.798 -8.903 -2.230 1.00 0.12 H new ATOM 0 HB3 SER B 13 -16.456 -9.039 -0.517 1.00 0.12 H new ATOM 0 HG SER B 13 -18.677 -8.494 -0.928 1.00 0.38 H new ATOM 1616 N VAL B 14 -13.911 -7.325 -3.078 1.00 0.14 N ATOM 1617 CA VAL B 14 -13.327 -7.221 -4.410 1.00 0.13 C ATOM 1618 C VAL B 14 -12.505 -8.458 -4.744 1.00 0.09 C ATOM 1619 O VAL B 14 -12.074 -9.186 -3.849 1.00 0.19 O ATOM 1620 CB VAL B 14 -12.434 -5.970 -4.551 1.00 0.15 C ATOM 1621 CG1 VAL B 14 -13.281 -4.720 -4.736 1.00 0.27 C ATOM 1622 CG2 VAL B 14 -11.513 -5.817 -3.345 1.00 0.17 C ATOM 0 H VAL B 14 -13.245 -7.564 -2.343 1.00 0.14 H new ATOM 0 HA VAL B 14 -14.159 -7.136 -5.109 1.00 0.13 H new ATOM 0 HB VAL B 14 -11.814 -6.100 -5.438 1.00 0.15 H new ATOM 0 HG11 VAL B 14 -12.630 -3.851 -4.833 1.00 0.27 H new ATOM 0 HG12 VAL B 14 -13.888 -4.822 -5.636 1.00 0.27 H new ATOM 0 HG13 VAL B 14 -13.932 -4.591 -3.872 1.00 0.27 H new ATOM 0 HG21 VAL B 14 -10.895 -4.928 -3.470 1.00 0.17 H new ATOM 0 HG22 VAL B 14 -12.112 -5.718 -2.440 1.00 0.17 H new ATOM 0 HG23 VAL B 14 -10.873 -6.695 -3.262 1.00 0.17 H new ATOM 1632 N ARG B 15 -12.277 -8.686 -6.028 1.00 0.17 N ATOM 1633 CA ARG B 15 -11.520 -9.842 -6.467 1.00 0.12 C ATOM 1634 C ARG B 15 -10.107 -9.450 -6.901 1.00 0.08 C ATOM 1635 O ARG B 15 -9.931 -8.625 -7.798 1.00 0.12 O ATOM 1636 CB ARG B 15 -12.249 -10.538 -7.617 1.00 0.19 C ATOM 1637 CG ARG B 15 -11.605 -11.845 -8.050 1.00 0.32 C ATOM 1638 CD ARG B 15 -12.596 -12.750 -8.766 1.00 0.37 C ATOM 1639 NE ARG B 15 -13.756 -13.061 -7.928 1.00 0.23 N ATOM 1640 CZ ARG B 15 -14.142 -14.297 -7.597 1.00 0.17 C ATOM 1641 NH1 ARG B 15 -13.449 -15.356 -8.009 1.00 0.20 N1+ ATOM 1642 NH2 ARG B 15 -15.217 -14.466 -6.835 1.00 0.33 N ATOM 0 H ARG B 15 -12.607 -8.084 -6.783 1.00 0.17 H new ATOM 0 HA ARG B 15 -11.434 -10.529 -5.625 1.00 0.12 H new ATOM 0 HB2 ARG B 15 -13.279 -10.733 -7.317 1.00 0.19 H new ATOM 0 HB3 ARG B 15 -12.288 -9.863 -8.472 1.00 0.19 H new ATOM 0 HG2 ARG B 15 -10.762 -11.635 -8.709 1.00 0.32 H new ATOM 0 HG3 ARG B 15 -11.206 -12.361 -7.177 1.00 0.32 H new ATOM 0 HD2 ARG B 15 -12.931 -12.267 -9.684 1.00 0.37 H new ATOM 0 HD3 ARG B 15 -12.099 -13.676 -9.055 1.00 0.37 H new ATOM 0 HE ARG B 15 -14.308 -12.280 -7.572 1.00 0.23 H new ATOM 0 HH11 ARG B 15 -12.615 -15.228 -8.583 1.00 0.20 H new ATOM 0 HH12 ARG B 15 -13.752 -16.295 -7.751 1.00 0.20 H new ATOM 0 HH21 ARG B 15 -15.742 -13.655 -6.507 1.00 0.33 H new ATOM 0 HH22 ARG B 15 -15.518 -15.406 -6.578 1.00 0.33 H new ATOM 1656 N ILE B 16 -9.110 -10.051 -6.259 1.00 0.03 N ATOM 1657 CA ILE B 16 -7.712 -9.784 -6.575 1.00 0.08 C ATOM 1658 C ILE B 16 -6.986 -11.102 -6.812 1.00 0.13 C ATOM 1659 O ILE B 16 -7.096 -12.027 -6.004 1.00 0.15 O ATOM 1660 CB ILE B 16 -6.990 -9.019 -5.443 1.00 0.10 C ATOM 1661 CG1 ILE B 16 -7.836 -7.836 -4.966 1.00 0.11 C ATOM 1662 CG2 ILE B 16 -5.621 -8.539 -5.915 1.00 0.15 C ATOM 1663 CD1 ILE B 16 -7.487 -7.367 -3.574 1.00 0.15 C ATOM 0 H ILE B 16 -9.247 -10.731 -5.511 1.00 0.03 H new ATOM 0 HA ILE B 16 -7.695 -9.161 -7.469 1.00 0.08 H new ATOM 0 HB ILE B 16 -6.849 -9.700 -4.604 1.00 0.10 H new ATOM 0 HG12 ILE B 16 -7.711 -7.007 -5.662 1.00 0.11 H new ATOM 0 HG13 ILE B 16 -8.888 -8.118 -4.992 1.00 0.11 H new ATOM 0 HG21 ILE B 16 -5.125 -8.002 -5.106 1.00 0.15 H new ATOM 0 HG22 ILE B 16 -5.015 -9.397 -6.206 1.00 0.15 H new ATOM 0 HG23 ILE B 16 -5.743 -7.874 -6.770 1.00 0.15 H new ATOM 0 HD11 ILE B 16 -8.126 -6.527 -3.302 1.00 0.15 H new ATOM 0 HD12 ILE B 16 -7.639 -8.182 -2.867 1.00 0.15 H new ATOM 0 HD13 ILE B 16 -6.444 -7.053 -3.547 1.00 0.15 H new ATOM 1675 N TYR B 17 -6.277 -11.192 -7.935 1.00 0.18 N ATOM 1676 CA TYR B 17 -5.523 -12.394 -8.298 1.00 0.25 C ATOM 1677 C TYR B 17 -6.448 -13.600 -8.493 1.00 0.24 C ATOM 1678 O TYR B 17 -5.987 -14.735 -8.620 1.00 0.27 O ATOM 1679 CB TYR B 17 -4.452 -12.706 -7.241 1.00 0.29 C ATOM 1680 CG TYR B 17 -3.119 -13.118 -7.827 1.00 0.23 C ATOM 1681 CD1 TYR B 17 -2.424 -12.269 -8.677 1.00 0.27 C ATOM 1682 CD2 TYR B 17 -2.557 -14.352 -7.526 1.00 0.22 C ATOM 1683 CE1 TYR B 17 -1.207 -12.639 -9.216 1.00 0.31 C ATOM 1684 CE2 TYR B 17 -1.338 -14.728 -8.059 1.00 0.20 C ATOM 1685 CZ TYR B 17 -0.667 -13.869 -8.903 1.00 0.26 C ATOM 1686 OH TYR B 17 0.548 -14.238 -9.433 1.00 0.34 O ATOM 0 H TYR B 17 -6.208 -10.438 -8.618 1.00 0.18 H new ATOM 0 HA TYR B 17 -5.027 -12.195 -9.248 1.00 0.25 H new ATOM 0 HB2 TYR B 17 -4.307 -11.827 -6.614 1.00 0.29 H new ATOM 0 HB3 TYR B 17 -4.816 -13.503 -6.593 1.00 0.29 H new ATOM 0 HD1 TYR B 17 -2.841 -11.303 -8.921 1.00 0.27 H new ATOM 0 HD2 TYR B 17 -3.080 -15.028 -6.866 1.00 0.22 H new ATOM 0 HE1 TYR B 17 -0.681 -11.968 -9.879 1.00 0.31 H new ATOM 0 HE2 TYR B 17 -0.913 -15.691 -7.815 1.00 0.20 H new ATOM 0 HH TYR B 17 0.787 -15.133 -9.112 1.00 0.34 H new ATOM 1696 N GLY B 18 -7.754 -13.349 -8.518 1.00 0.21 N ATOM 1697 CA GLY B 18 -8.712 -14.418 -8.708 1.00 0.22 C ATOM 1698 C GLY B 18 -9.513 -14.736 -7.457 1.00 0.22 C ATOM 1699 O GLY B 18 -10.557 -15.380 -7.533 1.00 0.24 O ATOM 0 H GLY B 18 -8.164 -12.421 -8.410 1.00 0.21 H new ATOM 0 HA2 GLY B 18 -9.397 -14.144 -9.510 1.00 0.22 H new ATOM 0 HA3 GLY B 18 -8.185 -15.316 -9.032 1.00 0.22 H new ATOM 1703 N GLN B 19 -9.042 -14.268 -6.307 1.00 0.20 N ATOM 1704 CA GLN B 19 -9.724 -14.528 -5.043 1.00 0.21 C ATOM 1705 C GLN B 19 -10.535 -13.315 -4.599 1.00 0.18 C ATOM 1706 O GLN B 19 -10.234 -12.188 -4.987 1.00 0.13 O ATOM 1707 CB GLN B 19 -8.713 -14.896 -3.957 1.00 0.22 C ATOM 1708 CG GLN B 19 -7.693 -15.936 -4.387 1.00 0.56 C ATOM 1709 CD GLN B 19 -8.266 -17.338 -4.421 1.00 0.86 C ATOM 1710 OE1 GLN B 19 -9.190 -17.667 -3.673 1.00 0.81 O ATOM 1711 NE2 GLN B 19 -7.714 -18.176 -5.281 1.00 1.36 N ATOM 0 H GLN B 19 -8.193 -13.708 -6.223 1.00 0.20 H new ATOM 0 HA GLN B 19 -10.405 -15.365 -5.198 1.00 0.21 H new ATOM 0 HB2 GLN B 19 -8.187 -13.994 -3.645 1.00 0.22 H new ATOM 0 HB3 GLN B 19 -9.251 -15.269 -3.086 1.00 0.22 H new ATOM 0 HG2 GLN B 19 -7.313 -15.679 -5.376 1.00 0.56 H new ATOM 0 HG3 GLN B 19 -6.845 -15.911 -3.703 1.00 0.56 H new ATOM 0 HE21 GLN B 19 -6.951 -17.862 -5.881 1.00 1.36 H new ATOM 0 HE22 GLN B 19 -8.051 -19.137 -5.344 1.00 1.36 H new ATOM 1720 N ASP B 20 -11.552 -13.552 -3.783 1.00 0.24 N ATOM 1721 CA ASP B 20 -12.410 -12.479 -3.282 1.00 0.24 C ATOM 1722 C ASP B 20 -11.984 -12.064 -1.879 1.00 0.23 C ATOM 1723 O ASP B 20 -11.873 -12.902 -0.981 1.00 0.23 O ATOM 1724 CB ASP B 20 -13.873 -12.927 -3.266 1.00 0.31 C ATOM 1725 CG ASP B 20 -14.810 -11.850 -2.746 1.00 0.41 C ATOM 1726 OD1 ASP B 20 -15.121 -10.911 -3.509 1.00 1.64 O ATOM 1727 OD2 ASP B 20 -15.260 -11.955 -1.582 1.00 0.39 O1- ATOM 0 H ASP B 20 -11.807 -14.482 -3.450 1.00 0.24 H new ATOM 0 HA ASP B 20 -12.308 -11.623 -3.950 1.00 0.24 H new ATOM 0 HB2 ASP B 20 -14.174 -13.208 -4.275 1.00 0.31 H new ATOM 0 HB3 ASP B 20 -13.969 -13.818 -2.645 1.00 0.31 H new ATOM 1732 N TYR B 21 -11.749 -10.774 -1.692 1.00 0.23 N ATOM 1733 CA TYR B 21 -11.328 -10.247 -0.402 1.00 0.22 C ATOM 1734 C TYR B 21 -12.256 -9.129 0.052 1.00 0.24 C ATOM 1735 O TYR B 21 -12.706 -8.315 -0.756 1.00 0.36 O ATOM 1736 CB TYR B 21 -9.892 -9.720 -0.481 1.00 0.19 C ATOM 1737 CG TYR B 21 -8.904 -10.738 -1.000 1.00 0.17 C ATOM 1738 CD1 TYR B 21 -8.360 -11.697 -0.157 1.00 0.16 C ATOM 1739 CD2 TYR B 21 -8.527 -10.746 -2.336 1.00 0.17 C ATOM 1740 CE1 TYR B 21 -7.464 -12.634 -0.630 1.00 0.15 C ATOM 1741 CE2 TYR B 21 -7.633 -11.680 -2.816 1.00 0.16 C ATOM 1742 CZ TYR B 21 -7.107 -12.621 -1.960 1.00 0.15 C ATOM 1743 OH TYR B 21 -6.216 -13.552 -2.441 1.00 0.14 O ATOM 0 H TYR B 21 -11.843 -10.068 -2.422 1.00 0.23 H new ATOM 0 HA TYR B 21 -11.372 -11.060 0.323 1.00 0.22 H new ATOM 0 HB2 TYR B 21 -9.871 -8.842 -1.127 1.00 0.19 H new ATOM 0 HB3 TYR B 21 -9.578 -9.394 0.510 1.00 0.19 H new ATOM 0 HD1 TYR B 21 -8.642 -11.710 0.885 1.00 0.16 H new ATOM 0 HD2 TYR B 21 -8.940 -10.010 -3.010 1.00 0.17 H new ATOM 0 HE1 TYR B 21 -7.046 -13.372 0.038 1.00 0.15 H new ATOM 0 HE2 TYR B 21 -7.347 -11.673 -3.857 1.00 0.16 H new ATOM 0 HH TYR B 21 -6.170 -13.487 -3.418 1.00 0.14 H new ATOM 1753 N THR B 22 -12.547 -9.105 1.343 1.00 0.18 N ATOM 1754 CA THR B 22 -13.406 -8.086 1.921 1.00 0.18 C ATOM 1755 C THR B 22 -12.588 -7.187 2.844 1.00 0.16 C ATOM 1756 O THR B 22 -11.962 -7.666 3.790 1.00 0.21 O ATOM 1757 CB THR B 22 -14.574 -8.722 2.704 1.00 0.20 C ATOM 1758 OG1 THR B 22 -15.299 -9.628 1.858 1.00 0.54 O ATOM 1759 CG2 THR B 22 -15.521 -7.655 3.230 1.00 0.26 C ATOM 0 H THR B 22 -12.196 -9.787 2.015 1.00 0.18 H new ATOM 0 HA THR B 22 -13.826 -7.491 1.110 1.00 0.18 H new ATOM 0 HB THR B 22 -14.156 -9.267 3.550 1.00 0.20 H new ATOM 0 HG1 THR B 22 -16.037 -10.028 2.364 1.00 0.54 H new ATOM 0 HG21 THR B 22 -16.335 -8.129 3.778 1.00 0.26 H new ATOM 0 HG22 THR B 22 -14.979 -6.983 3.895 1.00 0.26 H new ATOM 0 HG23 THR B 22 -15.929 -7.087 2.394 1.00 0.26 H new ATOM 1767 N ILE B 23 -12.595 -5.888 2.563 1.00 0.11 N ATOM 1768 CA ILE B 23 -11.835 -4.927 3.359 1.00 0.11 C ATOM 1769 C ILE B 23 -12.646 -3.659 3.590 1.00 0.14 C ATOM 1770 O ILE B 23 -13.808 -3.578 3.199 1.00 0.32 O ATOM 1771 CB ILE B 23 -10.482 -4.533 2.705 1.00 0.07 C ATOM 1772 CG1 ILE B 23 -10.689 -3.926 1.299 1.00 0.07 C ATOM 1773 CG2 ILE B 23 -9.521 -5.715 2.681 1.00 0.03 C ATOM 1774 CD1 ILE B 23 -10.859 -4.929 0.174 1.00 0.08 C ATOM 0 H ILE B 23 -13.118 -5.475 1.791 1.00 0.11 H new ATOM 0 HA ILE B 23 -11.624 -5.425 4.305 1.00 0.11 H new ATOM 0 HB ILE B 23 -10.026 -3.757 3.320 1.00 0.07 H new ATOM 0 HG12 ILE B 23 -11.569 -3.283 1.326 1.00 0.07 H new ATOM 0 HG13 ILE B 23 -9.836 -3.288 1.068 1.00 0.07 H new ATOM 0 HG21 ILE B 23 -8.582 -5.411 2.218 1.00 0.03 H new ATOM 0 HG22 ILE B 23 -9.331 -6.050 3.701 1.00 0.03 H new ATOM 0 HG23 ILE B 23 -9.961 -6.530 2.107 1.00 0.03 H new ATOM 0 HD11 ILE B 23 -10.997 -4.399 -0.768 1.00 0.08 H new ATOM 0 HD12 ILE B 23 -9.971 -5.558 0.110 1.00 0.08 H new ATOM 0 HD13 ILE B 23 -11.731 -5.552 0.371 1.00 0.08 H new ATOM 1786 N VAL B 24 -12.021 -2.669 4.216 1.00 0.16 N ATOM 1787 CA VAL B 24 -12.680 -1.404 4.495 1.00 0.17 C ATOM 1788 C VAL B 24 -12.580 -0.467 3.293 1.00 0.22 C ATOM 1789 O VAL B 24 -11.485 -0.196 2.790 1.00 0.28 O ATOM 1790 CB VAL B 24 -12.067 -0.711 5.733 1.00 0.19 C ATOM 1791 CG1 VAL B 24 -12.696 0.658 5.955 1.00 0.20 C ATOM 1792 CG2 VAL B 24 -12.230 -1.581 6.970 1.00 0.18 C ATOM 0 H VAL B 24 -11.055 -2.721 4.540 1.00 0.16 H new ATOM 0 HA VAL B 24 -13.728 -1.623 4.699 1.00 0.17 H new ATOM 0 HB VAL B 24 -11.002 -0.570 5.549 1.00 0.19 H new ATOM 0 HG11 VAL B 24 -12.249 1.126 6.832 1.00 0.20 H new ATOM 0 HG12 VAL B 24 -12.522 1.285 5.080 1.00 0.20 H new ATOM 0 HG13 VAL B 24 -13.769 0.544 6.112 1.00 0.20 H new ATOM 0 HG21 VAL B 24 -11.792 -1.075 7.831 1.00 0.18 H new ATOM 0 HG22 VAL B 24 -13.290 -1.758 7.154 1.00 0.18 H new ATOM 0 HG23 VAL B 24 -11.725 -2.534 6.813 1.00 0.18 H new ATOM 1802 N GLY B 25 -13.723 0.027 2.834 1.00 0.21 N ATOM 1803 CA GLY B 25 -13.738 0.921 1.698 1.00 0.27 C ATOM 1804 C GLY B 25 -14.551 2.168 1.962 1.00 0.07 C ATOM 1805 O GLY B 25 -15.308 2.620 1.102 1.00 0.28 O ATOM 0 H GLY B 25 -14.640 -0.177 3.231 1.00 0.21 H new ATOM 0 HA2 GLY B 25 -12.716 1.203 1.446 1.00 0.27 H new ATOM 0 HA3 GLY B 25 -14.147 0.399 0.833 1.00 0.27 H new ATOM 1809 N ALA B 26 -14.387 2.735 3.152 1.00 0.15 N ATOM 1810 CA ALA B 26 -15.117 3.937 3.536 1.00 0.36 C ATOM 1811 C ALA B 26 -14.563 5.170 2.828 1.00 0.34 C ATOM 1812 O ALA B 26 -13.704 5.873 3.357 1.00 0.57 O ATOM 1813 CB ALA B 26 -15.076 4.124 5.044 1.00 0.61 C ATOM 0 H ALA B 26 -13.754 2.380 3.869 1.00 0.15 H new ATOM 0 HA ALA B 26 -16.155 3.813 3.228 1.00 0.36 H new ATOM 0 HB1 ALA B 26 -15.626 5.026 5.314 1.00 0.61 H new ATOM 0 HB2 ALA B 26 -15.532 3.262 5.530 1.00 0.61 H new ATOM 0 HB3 ALA B 26 -14.040 4.219 5.371 1.00 0.61 H new ATOM 1819 N GLU B 27 -15.049 5.410 1.616 1.00 0.08 N ATOM 1820 CA GLU B 27 -14.621 6.555 0.825 1.00 0.06 C ATOM 1821 C GLU B 27 -15.552 6.754 -0.374 1.00 0.07 C ATOM 1822 O GLU B 27 -16.385 7.658 -0.373 1.00 0.08 O ATOM 1823 CB GLU B 27 -13.161 6.377 0.372 1.00 0.06 C ATOM 1824 CG GLU B 27 -12.669 7.452 -0.577 1.00 0.97 C ATOM 1825 CD GLU B 27 -11.247 7.205 -1.024 1.00 1.82 C ATOM 1826 OE1 GLU B 27 -10.888 6.024 -1.247 1.00 2.44 O1- ATOM 1827 OE2 GLU B 27 -10.483 8.177 -1.154 1.00 2.18 O ATOM 0 H GLU B 27 -15.745 4.822 1.158 1.00 0.08 H new ATOM 0 HA GLU B 27 -14.675 7.450 1.444 1.00 0.06 H new ATOM 0 HB2 GLU B 27 -12.518 6.364 1.252 1.00 0.06 H new ATOM 0 HB3 GLU B 27 -13.059 5.406 -0.112 1.00 0.06 H new ATOM 0 HG2 GLU B 27 -13.321 7.492 -1.449 1.00 0.97 H new ATOM 0 HG3 GLU B 27 -12.732 8.424 -0.088 1.00 0.97 H new ATOM 1834 N SER B 28 -15.418 5.900 -1.386 1.00 0.08 N ATOM 1835 CA SER B 28 -16.245 5.981 -2.586 1.00 0.11 C ATOM 1836 C SER B 28 -16.238 4.631 -3.300 1.00 0.14 C ATOM 1837 O SER B 28 -15.172 4.044 -3.492 1.00 0.14 O ATOM 1838 CB SER B 28 -15.735 7.074 -3.535 1.00 0.16 C ATOM 1839 OG SER B 28 -15.044 8.097 -2.836 1.00 0.98 O ATOM 0 H SER B 28 -14.739 5.139 -1.398 1.00 0.08 H new ATOM 0 HA SER B 28 -17.262 6.237 -2.289 1.00 0.11 H new ATOM 0 HB2 SER B 28 -15.073 6.630 -4.278 1.00 0.16 H new ATOM 0 HB3 SER B 28 -16.576 7.507 -4.076 1.00 0.16 H new ATOM 0 HG SER B 28 -14.732 8.775 -3.472 1.00 0.98 H new ATOM 1845 N PRO B 29 -17.419 4.126 -3.706 1.00 0.17 N ATOM 1846 CA PRO B 29 -17.549 2.824 -4.378 1.00 0.21 C ATOM 1847 C PRO B 29 -16.649 2.678 -5.605 1.00 0.18 C ATOM 1848 O PRO B 29 -16.058 1.621 -5.827 1.00 0.20 O ATOM 1849 CB PRO B 29 -19.029 2.763 -4.788 1.00 0.30 C ATOM 1850 CG PRO B 29 -19.546 4.153 -4.632 1.00 0.28 C ATOM 1851 CD PRO B 29 -18.727 4.778 -3.540 1.00 0.18 C ATOM 0 HA PRO B 29 -17.240 2.014 -3.717 1.00 0.21 H new ATOM 0 HB2 PRO B 29 -19.137 2.418 -5.816 1.00 0.30 H new ATOM 0 HB3 PRO B 29 -19.582 2.066 -4.158 1.00 0.30 H new ATOM 0 HG2 PRO B 29 -19.448 4.713 -5.562 1.00 0.28 H new ATOM 0 HG3 PRO B 29 -20.605 4.149 -4.372 1.00 0.28 H new ATOM 0 HD2 PRO B 29 -18.658 5.860 -3.654 1.00 0.18 H new ATOM 0 HD3 PRO B 29 -19.153 4.588 -2.555 1.00 0.18 H new ATOM 1859 N ALA B 30 -16.533 3.736 -6.394 1.00 0.18 N ATOM 1860 CA ALA B 30 -15.705 3.694 -7.595 1.00 0.16 C ATOM 1861 C ALA B 30 -14.219 3.782 -7.256 1.00 0.10 C ATOM 1862 O ALA B 30 -13.393 3.093 -7.854 1.00 0.05 O ATOM 1863 CB ALA B 30 -16.100 4.812 -8.546 1.00 0.20 C ATOM 0 H ALA B 30 -16.997 4.629 -6.228 1.00 0.18 H new ATOM 0 HA ALA B 30 -15.875 2.735 -8.084 1.00 0.16 H new ATOM 0 HB1 ALA B 30 -15.475 4.769 -9.438 1.00 0.20 H new ATOM 0 HB2 ALA B 30 -17.146 4.695 -8.830 1.00 0.20 H new ATOM 0 HB3 ALA B 30 -15.963 5.774 -8.053 1.00 0.20 H new ATOM 1869 N HIS B 31 -13.887 4.616 -6.275 1.00 0.15 N ATOM 1870 CA HIS B 31 -12.496 4.813 -5.864 1.00 0.13 C ATOM 1871 C HIS B 31 -11.918 3.547 -5.234 1.00 0.07 C ATOM 1872 O HIS B 31 -10.739 3.243 -5.401 1.00 0.05 O ATOM 1873 CB HIS B 31 -12.396 5.982 -4.878 1.00 0.20 C ATOM 1874 CG HIS B 31 -11.066 6.680 -4.887 1.00 0.38 C ATOM 1875 ND1 HIS B 31 -10.196 6.663 -3.821 1.00 0.76 N ATOM 1876 CD2 HIS B 31 -10.476 7.447 -5.834 1.00 1.42 C ATOM 1877 CE1 HIS B 31 -9.131 7.387 -4.112 1.00 0.48 C ATOM 1878 NE2 HIS B 31 -9.275 7.881 -5.328 1.00 1.22 N ATOM 0 H HIS B 31 -14.562 5.169 -5.747 1.00 0.15 H new ATOM 0 HA HIS B 31 -11.913 5.044 -6.756 1.00 0.13 H new ATOM 0 HB2 HIS B 31 -13.176 6.707 -5.110 1.00 0.20 H new ATOM 0 HB3 HIS B 31 -12.593 5.612 -3.872 1.00 0.20 H new ATOM 0 HD1 HIS B 31 -10.350 6.168 -2.943 1.00 0.76 H new ATOM 0 HD2 HIS B 31 -10.877 7.676 -6.810 1.00 1.42 H new ATOM 0 HE1 HIS B 31 -8.283 7.548 -3.463 1.00 0.48 H new ATOM 1887 N ILE B 32 -12.755 2.808 -4.520 1.00 0.08 N ATOM 1888 CA ILE B 32 -12.323 1.574 -3.858 1.00 0.08 C ATOM 1889 C ILE B 32 -12.381 0.380 -4.802 1.00 0.07 C ATOM 1890 O ILE B 32 -11.842 -0.685 -4.502 1.00 0.14 O ATOM 1891 CB ILE B 32 -13.156 1.274 -2.586 1.00 0.11 C ATOM 1892 CG1 ILE B 32 -14.614 0.929 -2.947 1.00 0.13 C ATOM 1893 CG2 ILE B 32 -13.092 2.463 -1.634 1.00 0.12 C ATOM 1894 CD1 ILE B 32 -15.498 0.630 -1.753 1.00 0.10 C ATOM 0 H ILE B 32 -13.739 3.037 -4.381 1.00 0.08 H new ATOM 0 HA ILE B 32 -11.287 1.735 -3.560 1.00 0.08 H new ATOM 0 HB ILE B 32 -12.730 0.404 -2.086 1.00 0.11 H new ATOM 0 HG12 ILE B 32 -15.045 1.761 -3.504 1.00 0.13 H new ATOM 0 HG13 ILE B 32 -14.617 0.065 -3.612 1.00 0.13 H new ATOM 0 HG21 ILE B 32 -13.679 2.247 -0.742 1.00 0.12 H new ATOM 0 HG22 ILE B 32 -12.056 2.647 -1.351 1.00 0.12 H new ATOM 0 HG23 ILE B 32 -13.495 3.347 -2.128 1.00 0.12 H new ATOM 0 HD11 ILE B 32 -16.506 0.397 -2.096 1.00 0.10 H new ATOM 0 HD12 ILE B 32 -15.095 -0.222 -1.206 1.00 0.10 H new ATOM 0 HD13 ILE B 32 -15.530 1.500 -1.097 1.00 0.10 H new ATOM 1906 N ARG B 33 -13.008 0.562 -5.950 1.00 0.07 N ATOM 1907 CA ARG B 33 -13.114 -0.514 -6.919 1.00 0.05 C ATOM 1908 C ARG B 33 -11.815 -0.642 -7.707 1.00 0.04 C ATOM 1909 O ARG B 33 -11.418 -1.741 -8.097 1.00 0.05 O ATOM 1910 CB ARG B 33 -14.297 -0.276 -7.858 1.00 0.07 C ATOM 1911 CG ARG B 33 -14.742 -1.521 -8.611 1.00 0.59 C ATOM 1912 CD ARG B 33 -16.251 -1.557 -8.784 1.00 0.36 C ATOM 1913 NE ARG B 33 -16.746 -0.406 -9.541 1.00 0.42 N ATOM 1914 CZ ARG B 33 -18.025 -0.047 -9.598 1.00 0.84 C ATOM 1915 NH1 ARG B 33 -18.946 -0.727 -8.922 1.00 1.03 N1+ ATOM 1916 NH2 ARG B 33 -18.385 1.001 -10.329 1.00 1.46 N ATOM 0 H ARG B 33 -13.448 1.437 -6.233 1.00 0.07 H new ATOM 0 HA ARG B 33 -13.288 -1.449 -6.386 1.00 0.05 H new ATOM 0 HB2 ARG B 33 -15.137 0.107 -7.279 1.00 0.07 H new ATOM 0 HB3 ARG B 33 -14.028 0.496 -8.578 1.00 0.07 H new ATOM 0 HG2 ARG B 33 -14.262 -1.547 -9.589 1.00 0.59 H new ATOM 0 HG3 ARG B 33 -14.415 -2.410 -8.072 1.00 0.59 H new ATOM 0 HD2 ARG B 33 -16.535 -2.476 -9.296 1.00 0.36 H new ATOM 0 HD3 ARG B 33 -16.727 -1.578 -7.804 1.00 0.36 H new ATOM 0 HE ARG B 33 -16.068 0.155 -10.057 1.00 0.42 H new ATOM 0 HH11 ARG B 33 -18.673 -1.530 -8.355 1.00 1.03 H new ATOM 0 HH12 ARG B 33 -19.925 -0.446 -8.970 1.00 1.03 H new ATOM 0 HH21 ARG B 33 -17.681 1.529 -10.845 1.00 1.46 H new ATOM 0 HH22 ARG B 33 -19.365 1.278 -10.374 1.00 1.46 H new ATOM 1930 N LEU B 34 -11.138 0.482 -7.913 1.00 0.06 N ATOM 1931 CA LEU B 34 -9.884 0.484 -8.658 1.00 0.09 C ATOM 1932 C LEU B 34 -8.724 0.013 -7.783 1.00 0.08 C ATOM 1933 O LEU B 34 -7.687 -0.406 -8.296 1.00 0.12 O ATOM 1934 CB LEU B 34 -9.593 1.874 -9.237 1.00 0.12 C ATOM 1935 CG LEU B 34 -9.256 2.967 -8.217 1.00 0.10 C ATOM 1936 CD1 LEU B 34 -7.749 3.134 -8.080 1.00 0.09 C ATOM 1937 CD2 LEU B 34 -9.896 4.280 -8.626 1.00 0.14 C ATOM 0 H LEU B 34 -11.434 1.399 -7.577 1.00 0.06 H new ATOM 0 HA LEU B 34 -9.989 -0.216 -9.487 1.00 0.09 H new ATOM 0 HB2 LEU B 34 -8.762 1.788 -9.937 1.00 0.12 H new ATOM 0 HB3 LEU B 34 -10.461 2.196 -9.812 1.00 0.12 H new ATOM 0 HG LEU B 34 -9.655 2.667 -7.248 1.00 0.10 H new ATOM 0 HD11 LEU B 34 -7.534 3.915 -7.351 1.00 0.09 H new ATOM 0 HD12 LEU B 34 -7.308 2.195 -7.746 1.00 0.09 H new ATOM 0 HD13 LEU B 34 -7.325 3.412 -9.045 1.00 0.09 H new ATOM 0 HD21 LEU B 34 -9.649 5.049 -7.894 1.00 0.14 H new ATOM 0 HD22 LEU B 34 -9.521 4.578 -9.605 1.00 0.14 H new ATOM 0 HD23 LEU B 34 -10.978 4.158 -8.674 1.00 0.14 H new ATOM 1949 N VAL B 35 -8.907 0.079 -6.464 1.00 0.05 N ATOM 1950 CA VAL B 35 -7.870 -0.345 -5.517 1.00 0.08 C ATOM 1951 C VAL B 35 -7.455 -1.783 -5.803 1.00 0.08 C ATOM 1952 O VAL B 35 -6.268 -2.109 -5.855 1.00 0.11 O ATOM 1953 CB VAL B 35 -8.355 -0.250 -4.052 1.00 0.09 C ATOM 1954 CG1 VAL B 35 -7.232 -0.609 -3.087 1.00 0.14 C ATOM 1955 CG2 VAL B 35 -8.881 1.139 -3.751 1.00 0.09 C ATOM 0 H VAL B 35 -9.762 0.421 -6.025 1.00 0.05 H new ATOM 0 HA VAL B 35 -7.022 0.327 -5.647 1.00 0.08 H new ATOM 0 HB VAL B 35 -9.167 -0.965 -3.919 1.00 0.09 H new ATOM 0 HG11 VAL B 35 -7.596 -0.535 -2.062 1.00 0.14 H new ATOM 0 HG12 VAL B 35 -6.897 -1.628 -3.281 1.00 0.14 H new ATOM 0 HG13 VAL B 35 -6.398 0.079 -3.227 1.00 0.14 H new ATOM 0 HG21 VAL B 35 -9.217 1.184 -2.715 1.00 0.09 H new ATOM 0 HG22 VAL B 35 -8.088 1.870 -3.907 1.00 0.09 H new ATOM 0 HG23 VAL B 35 -9.717 1.363 -4.414 1.00 0.09 H new ATOM 1965 N ALA B 36 -8.452 -2.630 -6.004 1.00 0.07 N ATOM 1966 CA ALA B 36 -8.215 -4.041 -6.293 1.00 0.07 C ATOM 1967 C ALA B 36 -7.409 -4.223 -7.578 1.00 0.09 C ATOM 1968 O ALA B 36 -6.421 -4.956 -7.602 1.00 0.09 O ATOM 1969 CB ALA B 36 -9.534 -4.784 -6.402 1.00 0.08 C ATOM 0 H ALA B 36 -9.437 -2.367 -5.973 1.00 0.07 H new ATOM 0 HA ALA B 36 -7.634 -4.454 -5.468 1.00 0.07 H new ATOM 0 HB1 ALA B 36 -9.343 -5.835 -6.618 1.00 0.08 H new ATOM 0 HB2 ALA B 36 -10.078 -4.700 -5.461 1.00 0.08 H new ATOM 0 HB3 ALA B 36 -10.130 -4.351 -7.206 1.00 0.08 H new ATOM 1975 N ALA B 37 -7.829 -3.529 -8.633 1.00 0.12 N ATOM 1976 CA ALA B 37 -7.163 -3.610 -9.929 1.00 0.15 C ATOM 1977 C ALA B 37 -5.721 -3.116 -9.840 1.00 0.17 C ATOM 1978 O ALA B 37 -4.835 -3.623 -10.532 1.00 0.19 O ATOM 1979 CB ALA B 37 -7.940 -2.813 -10.969 1.00 0.21 C ATOM 0 H ALA B 37 -8.632 -2.901 -8.614 1.00 0.12 H new ATOM 0 HA ALA B 37 -7.137 -4.656 -10.235 1.00 0.15 H new ATOM 0 HB1 ALA B 37 -7.434 -2.881 -11.932 1.00 0.21 H new ATOM 0 HB2 ALA B 37 -8.948 -3.218 -11.060 1.00 0.21 H new ATOM 0 HB3 ALA B 37 -7.995 -1.769 -10.661 1.00 0.21 H new ATOM 1985 N PHE B 38 -5.497 -2.136 -8.974 1.00 0.16 N ATOM 1986 CA PHE B 38 -4.171 -1.568 -8.775 1.00 0.18 C ATOM 1987 C PHE B 38 -3.221 -2.617 -8.198 1.00 0.15 C ATOM 1988 O PHE B 38 -2.073 -2.735 -8.627 1.00 0.16 O ATOM 1989 CB PHE B 38 -4.259 -0.354 -7.846 1.00 0.23 C ATOM 1990 CG PHE B 38 -2.930 0.273 -7.536 1.00 0.20 C ATOM 1991 CD1 PHE B 38 -2.154 0.821 -8.544 1.00 0.37 C ATOM 1992 CD2 PHE B 38 -2.456 0.314 -6.234 1.00 0.28 C ATOM 1993 CE1 PHE B 38 -0.930 1.395 -8.260 1.00 0.36 C ATOM 1994 CE2 PHE B 38 -1.233 0.887 -5.946 1.00 0.27 C ATOM 1995 CZ PHE B 38 -0.471 1.430 -6.960 1.00 0.14 C ATOM 0 H PHE B 38 -6.223 -1.716 -8.394 1.00 0.16 H new ATOM 0 HA PHE B 38 -3.777 -1.246 -9.739 1.00 0.18 H new ATOM 0 HB2 PHE B 38 -4.905 0.395 -8.304 1.00 0.23 H new ATOM 0 HB3 PHE B 38 -4.733 -0.657 -6.913 1.00 0.23 H new ATOM 0 HD1 PHE B 38 -2.510 0.799 -9.563 1.00 0.37 H new ATOM 0 HD2 PHE B 38 -3.050 -0.107 -5.436 1.00 0.28 H new ATOM 0 HE1 PHE B 38 -0.333 1.816 -9.055 1.00 0.36 H new ATOM 0 HE2 PHE B 38 -0.873 0.910 -4.928 1.00 0.27 H new ATOM 0 HZ PHE B 38 0.484 1.882 -6.736 1.00 0.14 H new ATOM 2005 N VAL B 39 -3.708 -3.380 -7.228 1.00 0.14 N ATOM 2006 CA VAL B 39 -2.902 -4.424 -6.605 1.00 0.14 C ATOM 2007 C VAL B 39 -2.693 -5.581 -7.576 1.00 0.14 C ATOM 2008 O VAL B 39 -1.610 -6.169 -7.641 1.00 0.19 O ATOM 2009 CB VAL B 39 -3.559 -4.950 -5.312 1.00 0.15 C ATOM 2010 CG1 VAL B 39 -2.718 -6.051 -4.681 1.00 0.15 C ATOM 2011 CG2 VAL B 39 -3.777 -3.813 -4.327 1.00 0.22 C ATOM 0 H VAL B 39 -4.654 -3.297 -6.856 1.00 0.14 H new ATOM 0 HA VAL B 39 -1.939 -3.984 -6.346 1.00 0.14 H new ATOM 0 HB VAL B 39 -4.528 -5.375 -5.573 1.00 0.15 H new ATOM 0 HG11 VAL B 39 -3.204 -6.404 -3.771 1.00 0.15 H new ATOM 0 HG12 VAL B 39 -2.617 -6.879 -5.383 1.00 0.15 H new ATOM 0 HG13 VAL B 39 -1.730 -5.660 -4.436 1.00 0.15 H new ATOM 0 HG21 VAL B 39 -4.241 -4.201 -3.420 1.00 0.22 H new ATOM 0 HG22 VAL B 39 -2.818 -3.359 -4.078 1.00 0.22 H new ATOM 0 HG23 VAL B 39 -4.428 -3.063 -4.776 1.00 0.22 H new ATOM 2021 N ASP B 40 -3.737 -5.891 -8.335 1.00 0.14 N ATOM 2022 CA ASP B 40 -3.682 -6.968 -9.320 1.00 0.21 C ATOM 2023 C ASP B 40 -2.569 -6.691 -10.327 1.00 0.27 C ATOM 2024 O ASP B 40 -1.843 -7.597 -10.737 1.00 0.34 O ATOM 2025 CB ASP B 40 -5.030 -7.103 -10.035 1.00 0.21 C ATOM 2026 CG ASP B 40 -5.261 -8.493 -10.590 1.00 0.33 C ATOM 2027 OD1 ASP B 40 -4.842 -8.756 -11.738 1.00 0.47 O ATOM 2028 OD2 ASP B 40 -5.885 -9.322 -9.889 1.00 0.32 O1- ATOM 0 H ASP B 40 -4.636 -5.411 -8.288 1.00 0.14 H new ATOM 0 HA ASP B 40 -3.469 -7.907 -8.809 1.00 0.21 H new ATOM 0 HB2 ASP B 40 -5.832 -6.856 -9.339 1.00 0.21 H new ATOM 0 HB3 ASP B 40 -5.079 -6.379 -10.848 1.00 0.21 H new ATOM 2033 N ASP B 41 -2.431 -5.419 -10.698 1.00 0.28 N ATOM 2034 CA ASP B 41 -1.390 -4.991 -11.633 1.00 0.37 C ATOM 2035 C ASP B 41 -0.011 -5.201 -11.023 1.00 0.32 C ATOM 2036 O ASP B 41 0.903 -5.710 -11.677 1.00 0.32 O ATOM 2037 CB ASP B 41 -1.568 -3.508 -12.007 1.00 0.46 C ATOM 2038 CG ASP B 41 -0.246 -2.802 -12.276 1.00 0.78 C ATOM 2039 OD1 ASP B 41 0.261 -2.881 -13.415 1.00 0.92 O ATOM 2040 OD2 ASP B 41 0.285 -2.154 -11.348 1.00 1.11 O1- ATOM 0 H ASP B 41 -3.029 -4.664 -10.364 1.00 0.28 H new ATOM 0 HA ASP B 41 -1.479 -5.595 -12.536 1.00 0.37 H new ATOM 0 HB2 ASP B 41 -2.200 -3.435 -12.892 1.00 0.46 H new ATOM 0 HB3 ASP B 41 -2.090 -2.995 -11.199 1.00 0.46 H new ATOM 2045 N LYS B 42 0.124 -4.812 -9.762 1.00 0.28 N ATOM 2046 CA LYS B 42 1.390 -4.941 -9.045 1.00 0.24 C ATOM 2047 C LYS B 42 1.840 -6.396 -8.998 1.00 0.20 C ATOM 2048 O LYS B 42 2.974 -6.717 -9.351 1.00 0.18 O ATOM 2049 CB LYS B 42 1.274 -4.392 -7.616 1.00 0.24 C ATOM 2050 CG LYS B 42 2.230 -3.252 -7.304 1.00 0.21 C ATOM 2051 CD LYS B 42 1.527 -1.910 -7.381 1.00 0.40 C ATOM 2052 CE LYS B 42 2.244 -0.949 -8.312 1.00 0.55 C ATOM 2053 NZ LYS B 42 2.274 -1.443 -9.716 1.00 0.48 N1+ ATOM 0 H LYS B 42 -0.630 -4.402 -9.211 1.00 0.28 H new ATOM 0 HA LYS B 42 2.134 -4.356 -9.586 1.00 0.24 H new ATOM 0 HB2 LYS B 42 0.252 -4.049 -7.453 1.00 0.24 H new ATOM 0 HB3 LYS B 42 1.454 -5.204 -6.912 1.00 0.24 H new ATOM 0 HG2 LYS B 42 2.650 -3.389 -6.308 1.00 0.21 H new ATOM 0 HG3 LYS B 42 3.063 -3.270 -8.007 1.00 0.21 H new ATOM 0 HD2 LYS B 42 0.504 -2.055 -7.727 1.00 0.40 H new ATOM 0 HD3 LYS B 42 1.467 -1.473 -6.384 1.00 0.40 H new ATOM 0 HE2 LYS B 42 1.749 0.022 -8.281 1.00 0.55 H new ATOM 0 HE3 LYS B 42 3.264 -0.798 -7.960 1.00 0.55 H new ATOM 0 HZ1 LYS B 42 2.586 -0.677 -10.347 1.00 0.48 H new ATOM 0 HZ2 LYS B 42 2.935 -2.243 -9.789 1.00 0.48 H new ATOM 0 HZ3 LYS B 42 1.322 -1.755 -9.995 1.00 0.48 H new ATOM 2067 N MET B 43 0.942 -7.277 -8.579 1.00 0.21 N ATOM 2068 CA MET B 43 1.264 -8.693 -8.486 1.00 0.19 C ATOM 2069 C MET B 43 1.618 -9.256 -9.855 1.00 0.17 C ATOM 2070 O MET B 43 2.518 -10.081 -9.977 1.00 0.18 O ATOM 2071 CB MET B 43 0.106 -9.487 -7.875 1.00 0.24 C ATOM 2072 CG MET B 43 -0.048 -9.281 -6.377 1.00 0.25 C ATOM 2073 SD MET B 43 -0.951 -10.625 -5.581 1.00 0.31 S ATOM 2074 CE MET B 43 0.234 -11.963 -5.725 1.00 0.24 C ATOM 0 H MET B 43 -0.009 -7.038 -8.300 1.00 0.21 H new ATOM 0 HA MET B 43 2.129 -8.791 -7.830 1.00 0.19 H new ATOM 0 HB2 MET B 43 -0.822 -9.200 -8.370 1.00 0.24 H new ATOM 0 HB3 MET B 43 0.259 -10.548 -8.074 1.00 0.24 H new ATOM 0 HG2 MET B 43 0.939 -9.192 -5.923 1.00 0.25 H new ATOM 0 HG3 MET B 43 -0.568 -8.341 -6.195 1.00 0.25 H new ATOM 0 HE1 MET B 43 -0.063 -12.784 -5.072 1.00 0.24 H new ATOM 0 HE2 MET B 43 0.264 -12.313 -6.757 1.00 0.24 H new ATOM 0 HE3 MET B 43 1.222 -11.607 -5.434 1.00 0.24 H new ATOM 2084 N HIS B 44 0.927 -8.781 -10.882 1.00 0.16 N ATOM 2085 CA HIS B 44 1.162 -9.236 -12.247 1.00 0.19 C ATOM 2086 C HIS B 44 2.546 -8.816 -12.754 1.00 0.25 C ATOM 2087 O HIS B 44 3.208 -9.578 -13.454 1.00 0.61 O ATOM 2088 CB HIS B 44 0.069 -8.691 -13.177 1.00 0.26 C ATOM 2089 CG HIS B 44 0.261 -9.037 -14.623 1.00 0.47 C ATOM 2090 ND1 HIS B 44 0.317 -8.086 -15.620 1.00 0.54 N ATOM 2091 CD2 HIS B 44 0.411 -10.234 -15.238 1.00 1.09 C ATOM 2092 CE1 HIS B 44 0.494 -8.684 -16.783 1.00 1.18 C ATOM 2093 NE2 HIS B 44 0.556 -9.987 -16.581 1.00 1.53 N ATOM 0 H HIS B 44 0.195 -8.076 -10.795 1.00 0.16 H new ATOM 0 HA HIS B 44 1.127 -10.325 -12.247 1.00 0.19 H new ATOM 0 HB2 HIS B 44 -0.896 -9.076 -12.848 1.00 0.26 H new ATOM 0 HB3 HIS B 44 0.031 -7.606 -13.077 1.00 0.26 H new ATOM 0 HD2 HIS B 44 0.416 -11.203 -14.761 1.00 1.09 H new ATOM 0 HE1 HIS B 44 0.575 -8.190 -17.740 1.00 1.18 H new ATOM 0 HE2 HIS B 44 0.690 -10.694 -17.304 1.00 1.53 H new ATOM 2102 N GLU B 45 2.988 -7.618 -12.389 1.00 0.14 N ATOM 2103 CA GLU B 45 4.287 -7.120 -12.844 1.00 0.11 C ATOM 2104 C GLU B 45 5.438 -7.697 -12.019 1.00 0.07 C ATOM 2105 O GLU B 45 6.602 -7.613 -12.414 1.00 0.03 O ATOM 2106 CB GLU B 45 4.317 -5.587 -12.797 1.00 0.10 C ATOM 2107 CG GLU B 45 4.615 -5.015 -11.416 1.00 0.07 C ATOM 2108 CD GLU B 45 4.607 -3.501 -11.392 1.00 0.22 C ATOM 2109 OE1 GLU B 45 4.885 -2.882 -12.440 1.00 0.43 O1- ATOM 2110 OE2 GLU B 45 4.325 -2.920 -10.326 1.00 0.49 O ATOM 0 H GLU B 45 2.474 -6.976 -11.785 1.00 0.14 H new ATOM 0 HA GLU B 45 4.422 -7.450 -13.874 1.00 0.11 H new ATOM 0 HB2 GLU B 45 5.070 -5.227 -13.498 1.00 0.10 H new ATOM 0 HB3 GLU B 45 3.355 -5.204 -13.138 1.00 0.10 H new ATOM 0 HG2 GLU B 45 3.877 -5.389 -10.706 1.00 0.07 H new ATOM 0 HG3 GLU B 45 5.589 -5.374 -11.082 1.00 0.07 H new ATOM 2117 N PHE B 46 5.116 -8.289 -10.875 1.00 0.11 N ATOM 2118 CA PHE B 46 6.143 -8.862 -10.014 1.00 0.10 C ATOM 2119 C PHE B 46 6.219 -10.383 -10.144 1.00 0.10 C ATOM 2120 O PHE B 46 7.269 -10.979 -9.899 1.00 0.11 O ATOM 2121 CB PHE B 46 5.901 -8.461 -8.558 1.00 0.11 C ATOM 2122 CG PHE B 46 6.599 -7.190 -8.161 1.00 0.13 C ATOM 2123 CD1 PHE B 46 7.954 -7.196 -7.867 1.00 0.14 C ATOM 2124 CD2 PHE B 46 5.906 -5.993 -8.083 1.00 0.16 C ATOM 2125 CE1 PHE B 46 8.603 -6.032 -7.500 1.00 0.14 C ATOM 2126 CE2 PHE B 46 6.549 -4.825 -7.716 1.00 0.17 C ATOM 2127 CZ PHE B 46 7.898 -4.845 -7.426 1.00 0.15 C ATOM 0 H PHE B 46 4.163 -8.384 -10.525 1.00 0.11 H new ATOM 0 HA PHE B 46 7.103 -8.461 -10.340 1.00 0.10 H new ATOM 0 HB2 PHE B 46 4.830 -8.344 -8.395 1.00 0.11 H new ATOM 0 HB3 PHE B 46 6.236 -9.268 -7.907 1.00 0.11 H new ATOM 0 HD1 PHE B 46 8.509 -8.121 -7.925 1.00 0.14 H new ATOM 0 HD2 PHE B 46 4.851 -5.972 -8.312 1.00 0.16 H new ATOM 0 HE1 PHE B 46 9.658 -6.050 -7.272 1.00 0.14 H new ATOM 0 HE2 PHE B 46 5.996 -3.899 -7.656 1.00 0.17 H new ATOM 0 HZ PHE B 46 8.403 -3.934 -7.141 1.00 0.15 H new ATOM 2137 N SER B 47 5.120 -11.013 -10.550 1.00 0.09 N ATOM 2138 CA SER B 47 5.090 -12.467 -10.707 1.00 0.10 C ATOM 2139 C SER B 47 5.949 -12.903 -11.885 1.00 0.09 C ATOM 2140 O SER B 47 6.322 -14.072 -12.000 1.00 0.13 O ATOM 2141 CB SER B 47 3.656 -12.966 -10.889 1.00 0.13 C ATOM 2142 OG SER B 47 2.883 -12.044 -11.636 1.00 0.49 O ATOM 0 H SER B 47 4.243 -10.544 -10.775 1.00 0.09 H new ATOM 0 HA SER B 47 5.498 -12.908 -9.798 1.00 0.10 H new ATOM 0 HB2 SER B 47 3.666 -13.931 -11.396 1.00 0.13 H new ATOM 0 HB3 SER B 47 3.196 -13.123 -9.913 1.00 0.13 H new ATOM 0 HG SER B 47 2.389 -11.460 -11.024 1.00 0.49 H new ATOM 2148 N GLU B 48 6.255 -11.956 -12.762 1.00 0.13 N ATOM 2149 CA GLU B 48 7.088 -12.228 -13.922 1.00 0.12 C ATOM 2150 C GLU B 48 8.565 -12.144 -13.544 1.00 0.09 C ATOM 2151 O GLU B 48 9.442 -12.476 -14.340 1.00 0.07 O ATOM 2152 CB GLU B 48 6.775 -11.249 -15.058 1.00 0.15 C ATOM 2153 CG GLU B 48 6.915 -9.784 -14.667 1.00 0.17 C ATOM 2154 CD GLU B 48 7.336 -8.903 -15.824 1.00 0.71 C ATOM 2155 OE1 GLU B 48 6.469 -8.519 -16.635 1.00 0.76 O1- ATOM 2156 OE2 GLU B 48 8.539 -8.582 -15.922 1.00 1.67 O ATOM 0 H GLU B 48 5.937 -10.990 -12.690 1.00 0.13 H new ATOM 0 HA GLU B 48 6.870 -13.238 -14.270 1.00 0.12 H new ATOM 0 HB2 GLU B 48 7.440 -11.456 -15.896 1.00 0.15 H new ATOM 0 HB3 GLU B 48 5.758 -11.426 -15.407 1.00 0.15 H new ATOM 0 HG2 GLU B 48 5.964 -9.426 -14.272 1.00 0.17 H new ATOM 0 HG3 GLU B 48 7.647 -9.696 -13.864 1.00 0.17 H new ATOM 2163 N LYS B 49 8.835 -11.680 -12.328 1.00 0.10 N ATOM 2164 CA LYS B 49 10.206 -11.569 -11.845 1.00 0.10 C ATOM 2165 C LYS B 49 10.622 -12.858 -11.150 1.00 0.15 C ATOM 2166 O LYS B 49 11.698 -13.393 -11.413 1.00 0.23 O ATOM 2167 CB LYS B 49 10.349 -10.388 -10.879 1.00 0.09 C ATOM 2168 CG LYS B 49 10.191 -9.026 -11.536 1.00 0.12 C ATOM 2169 CD LYS B 49 11.369 -8.113 -11.220 1.00 0.05 C ATOM 2170 CE LYS B 49 11.364 -7.659 -9.767 1.00 1.11 C ATOM 2171 NZ LYS B 49 12.664 -7.053 -9.366 1.00 1.14 N1+ ATOM 0 H LYS B 49 8.125 -11.376 -11.662 1.00 0.10 H new ATOM 0 HA LYS B 49 10.857 -11.396 -12.702 1.00 0.10 H new ATOM 0 HB2 LYS B 49 9.605 -10.487 -10.089 1.00 0.09 H new ATOM 0 HB3 LYS B 49 11.328 -10.438 -10.403 1.00 0.09 H new ATOM 0 HG2 LYS B 49 10.105 -9.150 -12.616 1.00 0.12 H new ATOM 0 HG3 LYS B 49 9.267 -8.561 -11.193 1.00 0.12 H new ATOM 0 HD2 LYS B 49 12.301 -8.637 -11.433 1.00 0.05 H new ATOM 0 HD3 LYS B 49 11.337 -7.241 -11.873 1.00 0.05 H new ATOM 0 HE2 LYS B 49 10.564 -6.934 -9.617 1.00 1.11 H new ATOM 0 HE3 LYS B 49 11.147 -8.511 -9.122 1.00 1.11 H new ATOM 0 HZ1 LYS B 49 12.617 -6.758 -8.370 1.00 1.14 H new ATOM 0 HZ2 LYS B 49 13.424 -7.753 -9.484 1.00 1.14 H new ATOM 0 HZ3 LYS B 49 12.860 -6.225 -9.964 1.00 1.14 H new ATOM 2185 N GLN B 50 9.743 -13.346 -10.271 1.00 0.20 N ATOM 2186 CA GLN B 50 9.972 -14.576 -9.513 1.00 0.30 C ATOM 2187 C GLN B 50 11.295 -14.540 -8.745 1.00 0.13 C ATOM 2188 O GLN B 50 12.237 -15.247 -9.090 1.00 0.29 O ATOM 2189 CB GLN B 50 9.940 -15.796 -10.436 1.00 0.53 C ATOM 2190 CG GLN B 50 8.585 -16.052 -11.070 1.00 1.05 C ATOM 2191 CD GLN B 50 8.453 -17.461 -11.602 1.00 1.30 C ATOM 2192 OE1 GLN B 50 8.798 -17.739 -12.750 1.00 1.37 O ATOM 2193 NE2 GLN B 50 7.950 -18.363 -10.772 1.00 1.60 N ATOM 0 H GLN B 50 8.850 -12.897 -10.065 1.00 0.20 H new ATOM 0 HA GLN B 50 9.165 -14.655 -8.785 1.00 0.30 H new ATOM 0 HB2 GLN B 50 10.680 -15.662 -11.225 1.00 0.53 H new ATOM 0 HB3 GLN B 50 10.237 -16.677 -9.867 1.00 0.53 H new ATOM 0 HG2 GLN B 50 7.802 -15.870 -10.333 1.00 1.05 H new ATOM 0 HG3 GLN B 50 8.428 -15.344 -11.883 1.00 1.05 H new ATOM 0 HE21 GLN B 50 7.676 -18.091 -9.828 1.00 1.60 H new ATOM 0 HE22 GLN B 50 7.837 -19.330 -11.077 1.00 1.60 H new ATOM 2202 N PRO B 51 11.386 -13.714 -7.688 1.00 0.16 N ATOM 2203 CA PRO B 51 12.606 -13.618 -6.887 1.00 0.27 C ATOM 2204 C PRO B 51 12.849 -14.880 -6.057 1.00 0.20 C ATOM 2205 O PRO B 51 13.964 -15.404 -6.010 1.00 0.19 O ATOM 2206 CB PRO B 51 12.355 -12.407 -5.979 1.00 0.48 C ATOM 2207 CG PRO B 51 10.872 -12.259 -5.918 1.00 0.51 C ATOM 2208 CD PRO B 51 10.327 -12.806 -7.211 1.00 0.41 C ATOM 0 HA PRO B 51 13.495 -13.511 -7.509 1.00 0.27 H new ATOM 0 HB2 PRO B 51 12.775 -12.567 -4.986 1.00 0.48 H new ATOM 0 HB3 PRO B 51 12.823 -11.509 -6.383 1.00 0.48 H new ATOM 0 HG2 PRO B 51 10.464 -12.802 -5.066 1.00 0.51 H new ATOM 0 HG3 PRO B 51 10.593 -11.213 -5.792 1.00 0.51 H new ATOM 0 HD2 PRO B 51 9.387 -13.336 -7.056 1.00 0.41 H new ATOM 0 HD3 PRO B 51 10.130 -12.010 -7.929 1.00 0.41 H new ATOM 2216 N MET B 52 11.803 -15.378 -5.409 1.00 0.17 N ATOM 2217 CA MET B 52 11.919 -16.573 -4.585 1.00 0.11 C ATOM 2218 C MET B 52 11.033 -17.705 -5.101 1.00 0.09 C ATOM 2219 O MET B 52 10.994 -18.784 -4.505 1.00 0.08 O ATOM 2220 CB MET B 52 11.568 -16.256 -3.128 1.00 0.12 C ATOM 2221 CG MET B 52 10.102 -15.912 -2.909 1.00 0.18 C ATOM 2222 SD MET B 52 9.669 -14.259 -3.482 1.00 0.26 S ATOM 2223 CE MET B 52 10.648 -13.240 -2.377 1.00 0.43 C ATOM 0 H MET B 52 10.867 -14.973 -5.438 1.00 0.17 H new ATOM 0 HA MET B 52 12.955 -16.907 -4.640 1.00 0.11 H new ATOM 0 HB2 MET B 52 11.827 -17.114 -2.507 1.00 0.12 H new ATOM 0 HB3 MET B 52 12.182 -15.421 -2.790 1.00 0.12 H new ATOM 0 HG2 MET B 52 9.482 -16.643 -3.428 1.00 0.18 H new ATOM 0 HG3 MET B 52 9.871 -15.994 -1.847 1.00 0.18 H new ATOM 0 HE1 MET B 52 10.283 -12.214 -2.409 1.00 0.43 H new ATOM 0 HE2 MET B 52 10.565 -13.623 -1.360 1.00 0.43 H new ATOM 0 HE3 MET B 52 11.692 -13.264 -2.690 1.00 0.43 H new ATOM 2233 N LEU B 53 10.339 -17.462 -6.214 1.00 0.10 N ATOM 2234 CA LEU B 53 9.446 -18.454 -6.816 1.00 0.11 C ATOM 2235 C LEU B 53 8.425 -18.958 -5.797 1.00 0.08 C ATOM 2236 O LEU B 53 8.295 -20.164 -5.568 1.00 0.10 O ATOM 2237 CB LEU B 53 10.243 -19.632 -7.397 1.00 0.19 C ATOM 2238 CG LEU B 53 10.826 -19.406 -8.795 1.00 0.25 C ATOM 2239 CD1 LEU B 53 12.075 -18.537 -8.729 1.00 0.62 C ATOM 2240 CD2 LEU B 53 11.141 -20.738 -9.460 1.00 1.07 C ATOM 0 H LEU B 53 10.379 -16.578 -6.721 1.00 0.10 H new ATOM 0 HA LEU B 53 8.910 -17.966 -7.630 1.00 0.11 H new ATOM 0 HB2 LEU B 53 11.060 -19.867 -6.715 1.00 0.19 H new ATOM 0 HB3 LEU B 53 9.594 -20.507 -7.430 1.00 0.19 H new ATOM 0 HG LEU B 53 10.080 -18.884 -9.394 1.00 0.25 H new ATOM 0 HD11 LEU B 53 12.470 -18.391 -9.734 1.00 0.62 H new ATOM 0 HD12 LEU B 53 11.823 -17.570 -8.294 1.00 0.62 H new ATOM 0 HD13 LEU B 53 12.827 -19.027 -8.111 1.00 0.62 H new ATOM 0 HD21 LEU B 53 11.555 -20.560 -10.453 1.00 1.07 H new ATOM 0 HD22 LEU B 53 11.867 -21.283 -8.857 1.00 1.07 H new ATOM 0 HD23 LEU B 53 10.227 -21.326 -9.547 1.00 1.07 H new ATOM 2252 N ASP B 54 7.704 -18.028 -5.185 1.00 0.09 N ATOM 2253 CA ASP B 54 6.707 -18.377 -4.181 1.00 0.12 C ATOM 2254 C ASP B 54 5.512 -17.432 -4.250 1.00 0.10 C ATOM 2255 O ASP B 54 5.674 -16.231 -4.461 1.00 0.18 O ATOM 2256 CB ASP B 54 7.334 -18.343 -2.786 1.00 0.19 C ATOM 2257 CG ASP B 54 6.336 -18.654 -1.695 1.00 0.24 C ATOM 2258 OD1 ASP B 54 5.813 -19.783 -1.666 1.00 0.26 O ATOM 2259 OD2 ASP B 54 6.080 -17.770 -0.853 1.00 0.28 O1- ATOM 0 H ASP B 54 7.790 -17.028 -5.366 1.00 0.09 H new ATOM 0 HA ASP B 54 6.351 -19.387 -4.385 1.00 0.12 H new ATOM 0 HB2 ASP B 54 8.152 -19.062 -2.741 1.00 0.19 H new ATOM 0 HB3 ASP B 54 7.766 -17.358 -2.609 1.00 0.19 H new ATOM 2264 N VAL B 55 4.319 -17.986 -4.074 1.00 0.11 N ATOM 2265 CA VAL B 55 3.083 -17.208 -4.138 1.00 0.12 C ATOM 2266 C VAL B 55 2.905 -16.253 -2.939 1.00 0.08 C ATOM 2267 O VAL B 55 2.816 -15.044 -3.143 1.00 0.04 O ATOM 2268 CB VAL B 55 1.843 -18.121 -4.265 1.00 0.17 C ATOM 2269 CG1 VAL B 55 0.579 -17.296 -4.462 1.00 0.08 C ATOM 2270 CG2 VAL B 55 2.021 -19.111 -5.406 1.00 0.32 C ATOM 0 H VAL B 55 4.178 -18.978 -3.884 1.00 0.11 H new ATOM 0 HA VAL B 55 3.171 -16.595 -5.035 1.00 0.12 H new ATOM 0 HB VAL B 55 1.739 -18.682 -3.336 1.00 0.17 H new ATOM 0 HG11 VAL B 55 -0.280 -17.961 -4.549 1.00 0.08 H new ATOM 0 HG12 VAL B 55 0.440 -16.634 -3.608 1.00 0.08 H new ATOM 0 HG13 VAL B 55 0.671 -16.701 -5.371 1.00 0.08 H new ATOM 0 HG21 VAL B 55 1.137 -19.745 -5.479 1.00 0.32 H new ATOM 0 HG22 VAL B 55 2.156 -18.568 -6.341 1.00 0.32 H new ATOM 0 HG23 VAL B 55 2.897 -19.731 -5.217 1.00 0.32 H new ATOM 2280 N PRO B 56 2.829 -16.755 -1.677 1.00 0.10 N ATOM 2281 CA PRO B 56 2.647 -15.885 -0.504 1.00 0.10 C ATOM 2282 C PRO B 56 3.707 -14.793 -0.389 1.00 0.07 C ATOM 2283 O PRO B 56 3.394 -13.651 -0.046 1.00 0.14 O ATOM 2284 CB PRO B 56 2.726 -16.836 0.700 1.00 0.14 C ATOM 2285 CG PRO B 56 3.252 -18.124 0.170 1.00 0.15 C ATOM 2286 CD PRO B 56 2.885 -18.176 -1.284 1.00 0.14 C ATOM 0 HA PRO B 56 1.701 -15.347 -0.571 1.00 0.10 H new ATOM 0 HB2 PRO B 56 3.382 -16.435 1.472 1.00 0.14 H new ATOM 0 HB3 PRO B 56 1.745 -16.973 1.155 1.00 0.14 H new ATOM 0 HG2 PRO B 56 4.333 -18.182 0.298 1.00 0.15 H new ATOM 0 HG3 PRO B 56 2.821 -18.968 0.708 1.00 0.15 H new ATOM 0 HD2 PRO B 56 3.626 -18.724 -1.866 1.00 0.14 H new ATOM 0 HD3 PRO B 56 1.927 -18.673 -1.439 1.00 0.14 H new ATOM 2294 N LYS B 57 4.954 -15.135 -0.687 1.00 0.09 N ATOM 2295 CA LYS B 57 6.046 -14.169 -0.608 1.00 0.06 C ATOM 2296 C LYS B 57 5.896 -13.096 -1.685 1.00 0.07 C ATOM 2297 O LYS B 57 6.320 -11.955 -1.504 1.00 0.12 O ATOM 2298 CB LYS B 57 7.398 -14.878 -0.734 1.00 0.12 C ATOM 2299 CG LYS B 57 7.972 -15.375 0.594 1.00 0.17 C ATOM 2300 CD LYS B 57 6.883 -15.842 1.555 1.00 0.47 C ATOM 2301 CE LYS B 57 7.256 -17.135 2.257 1.00 0.23 C ATOM 2302 NZ LYS B 57 7.507 -18.238 1.298 1.00 0.62 N1+ ATOM 0 H LYS B 57 5.235 -16.069 -0.984 1.00 0.09 H new ATOM 0 HA LYS B 57 6.004 -13.681 0.366 1.00 0.06 H new ATOM 0 HB2 LYS B 57 7.289 -15.726 -1.410 1.00 0.12 H new ATOM 0 HB3 LYS B 57 8.113 -14.195 -1.193 1.00 0.12 H new ATOM 0 HG2 LYS B 57 8.663 -16.196 0.404 1.00 0.17 H new ATOM 0 HG3 LYS B 57 8.547 -14.576 1.061 1.00 0.17 H new ATOM 0 HD2 LYS B 57 6.700 -15.066 2.299 1.00 0.47 H new ATOM 0 HD3 LYS B 57 5.952 -15.984 1.006 1.00 0.47 H new ATOM 0 HE2 LYS B 57 8.147 -16.973 2.864 1.00 0.23 H new ATOM 0 HE3 LYS B 57 6.454 -17.422 2.937 1.00 0.23 H new ATOM 0 HZ1 LYS B 57 7.032 -19.102 1.630 1.00 0.62 H new ATOM 0 HZ2 LYS B 57 7.135 -17.976 0.363 1.00 0.62 H new ATOM 0 HZ3 LYS B 57 8.530 -18.411 1.227 1.00 0.62 H new ATOM 2316 N LEU B 58 5.267 -13.465 -2.793 1.00 0.07 N ATOM 2317 CA LEU B 58 5.045 -12.537 -3.895 1.00 0.11 C ATOM 2318 C LEU B 58 3.938 -11.549 -3.527 1.00 0.11 C ATOM 2319 O LEU B 58 4.037 -10.354 -3.804 1.00 0.14 O ATOM 2320 CB LEU B 58 4.664 -13.319 -5.168 1.00 0.14 C ATOM 2321 CG LEU B 58 4.986 -12.666 -6.527 1.00 0.16 C ATOM 2322 CD1 LEU B 58 4.107 -11.451 -6.783 1.00 0.17 C ATOM 2323 CD2 LEU B 58 6.463 -12.297 -6.628 1.00 0.27 C ATOM 0 H LEU B 58 4.900 -14.403 -2.953 1.00 0.07 H new ATOM 0 HA LEU B 58 5.962 -11.980 -4.087 1.00 0.11 H new ATOM 0 HB2 LEU B 58 5.166 -14.286 -5.132 1.00 0.14 H new ATOM 0 HB3 LEU B 58 3.592 -13.515 -5.134 1.00 0.14 H new ATOM 0 HG LEU B 58 4.769 -13.403 -7.300 1.00 0.16 H new ATOM 0 HD11 LEU B 58 4.361 -11.015 -7.749 1.00 0.17 H new ATOM 0 HD12 LEU B 58 3.060 -11.753 -6.785 1.00 0.17 H new ATOM 0 HD13 LEU B 58 4.270 -10.712 -5.998 1.00 0.17 H new ATOM 0 HD21 LEU B 58 6.658 -11.839 -7.598 1.00 0.27 H new ATOM 0 HD22 LEU B 58 6.717 -11.592 -5.836 1.00 0.27 H new ATOM 0 HD23 LEU B 58 7.071 -13.196 -6.523 1.00 0.27 H new ATOM 2335 N ALA B 59 2.899 -12.061 -2.876 1.00 0.08 N ATOM 2336 CA ALA B 59 1.758 -11.247 -2.467 1.00 0.09 C ATOM 2337 C ALA B 59 2.165 -10.150 -1.484 1.00 0.14 C ATOM 2338 O ALA B 59 1.725 -9.003 -1.595 1.00 0.31 O ATOM 2339 CB ALA B 59 0.682 -12.131 -1.855 1.00 0.07 C ATOM 0 H ALA B 59 2.823 -13.045 -2.618 1.00 0.08 H new ATOM 0 HA ALA B 59 1.362 -10.758 -3.357 1.00 0.09 H new ATOM 0 HB1 ALA B 59 -0.166 -11.516 -1.553 1.00 0.07 H new ATOM 0 HB2 ALA B 59 0.353 -12.866 -2.590 1.00 0.07 H new ATOM 0 HB3 ALA B 59 1.086 -12.646 -0.983 1.00 0.07 H new ATOM 2345 N VAL B 60 3.010 -10.501 -0.526 1.00 0.02 N ATOM 2346 CA VAL B 60 3.463 -9.535 0.469 1.00 0.05 C ATOM 2347 C VAL B 60 4.516 -8.593 -0.119 1.00 0.08 C ATOM 2348 O VAL B 60 4.679 -7.461 0.340 1.00 0.12 O ATOM 2349 CB VAL B 60 4.024 -10.236 1.729 1.00 0.07 C ATOM 2350 CG1 VAL B 60 5.357 -10.906 1.445 1.00 0.07 C ATOM 2351 CG2 VAL B 60 4.161 -9.248 2.872 1.00 0.13 C ATOM 0 H VAL B 60 3.394 -11.439 -0.415 1.00 0.02 H new ATOM 0 HA VAL B 60 2.594 -8.948 0.765 1.00 0.05 H new ATOM 0 HB VAL B 60 3.316 -11.012 2.019 1.00 0.07 H new ATOM 0 HG11 VAL B 60 5.722 -11.389 2.352 1.00 0.07 H new ATOM 0 HG12 VAL B 60 5.229 -11.654 0.662 1.00 0.07 H new ATOM 0 HG13 VAL B 60 6.078 -10.157 1.117 1.00 0.07 H new ATOM 0 HG21 VAL B 60 4.557 -9.759 3.749 1.00 0.13 H new ATOM 0 HG22 VAL B 60 4.841 -8.447 2.581 1.00 0.13 H new ATOM 0 HG23 VAL B 60 3.184 -8.827 3.108 1.00 0.13 H new ATOM 2361 N LEU B 61 5.208 -9.061 -1.152 1.00 0.08 N ATOM 2362 CA LEU B 61 6.243 -8.272 -1.813 1.00 0.11 C ATOM 2363 C LEU B 61 5.646 -7.000 -2.407 1.00 0.11 C ATOM 2364 O LEU B 61 6.242 -5.924 -2.339 1.00 0.13 O ATOM 2365 CB LEU B 61 6.912 -9.109 -2.908 1.00 0.13 C ATOM 2366 CG LEU B 61 8.007 -8.407 -3.709 1.00 0.17 C ATOM 2367 CD1 LEU B 61 9.244 -8.186 -2.856 1.00 0.17 C ATOM 2368 CD2 LEU B 61 8.352 -9.217 -4.949 1.00 0.17 C ATOM 0 H LEU B 61 5.070 -9.989 -1.552 1.00 0.08 H new ATOM 0 HA LEU B 61 6.994 -7.986 -1.076 1.00 0.11 H new ATOM 0 HB2 LEU B 61 7.340 -9.999 -2.447 1.00 0.13 H new ATOM 0 HB3 LEU B 61 6.142 -9.447 -3.601 1.00 0.13 H new ATOM 0 HG LEU B 61 7.633 -7.432 -4.021 1.00 0.17 H new ATOM 0 HD11 LEU B 61 10.010 -7.685 -3.448 1.00 0.17 H new ATOM 0 HD12 LEU B 61 8.987 -7.567 -1.996 1.00 0.17 H new ATOM 0 HD13 LEU B 61 9.624 -9.147 -2.510 1.00 0.17 H new ATOM 0 HD21 LEU B 61 9.134 -8.706 -5.511 1.00 0.17 H new ATOM 0 HD22 LEU B 61 8.705 -10.205 -4.652 1.00 0.17 H new ATOM 0 HD23 LEU B 61 7.465 -9.322 -5.574 1.00 0.17 H new ATOM 2380 N THR B 62 4.458 -7.125 -2.970 1.00 0.10 N ATOM 2381 CA THR B 62 3.779 -5.992 -3.573 1.00 0.09 C ATOM 2382 C THR B 62 3.171 -5.074 -2.514 1.00 0.09 C ATOM 2383 O THR B 62 3.045 -3.868 -2.726 1.00 0.08 O ATOM 2384 CB THR B 62 2.693 -6.474 -4.543 1.00 0.10 C ATOM 2385 OG1 THR B 62 2.123 -7.703 -4.069 1.00 0.18 O ATOM 2386 CG2 THR B 62 3.282 -6.691 -5.927 1.00 0.12 C ATOM 0 H THR B 62 3.942 -8.003 -3.022 1.00 0.10 H new ATOM 0 HA THR B 62 4.522 -5.418 -4.127 1.00 0.09 H new ATOM 0 HB THR B 62 1.916 -5.712 -4.601 1.00 0.10 H new ATOM 0 HG1 THR B 62 2.058 -7.678 -3.091 1.00 0.18 H new ATOM 0 HG21 THR B 62 2.500 -7.033 -6.605 1.00 0.12 H new ATOM 0 HG22 THR B 62 3.699 -5.754 -6.296 1.00 0.12 H new ATOM 0 HG23 THR B 62 4.070 -7.442 -5.873 1.00 0.12 H new ATOM 2394 N ALA B 63 2.823 -5.646 -1.368 1.00 0.10 N ATOM 2395 CA ALA B 63 2.231 -4.881 -0.278 1.00 0.11 C ATOM 2396 C ALA B 63 3.199 -3.825 0.233 1.00 0.11 C ATOM 2397 O ALA B 63 2.832 -2.664 0.423 1.00 0.12 O ATOM 2398 CB ALA B 63 1.819 -5.810 0.855 1.00 0.10 C ATOM 0 H ALA B 63 2.941 -6.639 -1.169 1.00 0.10 H new ATOM 0 HA ALA B 63 1.345 -4.375 -0.660 1.00 0.11 H new ATOM 0 HB1 ALA B 63 1.378 -5.226 1.663 1.00 0.10 H new ATOM 0 HB2 ALA B 63 1.088 -6.530 0.487 1.00 0.10 H new ATOM 0 HB3 ALA B 63 2.695 -6.341 1.227 1.00 0.10 H new ATOM 2404 N VAL B 64 4.445 -4.230 0.435 1.00 0.09 N ATOM 2405 CA VAL B 64 5.467 -3.326 0.930 1.00 0.10 C ATOM 2406 C VAL B 64 5.903 -2.334 -0.155 1.00 0.12 C ATOM 2407 O VAL B 64 6.297 -1.204 0.146 1.00 0.12 O ATOM 2408 CB VAL B 64 6.682 -4.107 1.487 1.00 0.10 C ATOM 2409 CG1 VAL B 64 7.476 -4.772 0.373 1.00 0.12 C ATOM 2410 CG2 VAL B 64 7.569 -3.203 2.329 1.00 0.11 C ATOM 0 H VAL B 64 4.770 -5.181 0.263 1.00 0.09 H new ATOM 0 HA VAL B 64 5.032 -2.754 1.750 1.00 0.10 H new ATOM 0 HB VAL B 64 6.299 -4.898 2.131 1.00 0.10 H new ATOM 0 HG11 VAL B 64 8.321 -5.311 0.801 1.00 0.12 H new ATOM 0 HG12 VAL B 64 6.834 -5.470 -0.164 1.00 0.12 H new ATOM 0 HG13 VAL B 64 7.842 -4.012 -0.317 1.00 0.12 H new ATOM 0 HG21 VAL B 64 8.415 -3.775 2.709 1.00 0.11 H new ATOM 0 HG22 VAL B 64 7.934 -2.378 1.717 1.00 0.11 H new ATOM 0 HG23 VAL B 64 6.994 -2.807 3.166 1.00 0.11 H new ATOM 2420 N GLN B 65 5.803 -2.750 -1.416 1.00 0.15 N ATOM 2421 CA GLN B 65 6.174 -1.887 -2.533 1.00 0.19 C ATOM 2422 C GLN B 65 5.197 -0.721 -2.627 1.00 0.13 C ATOM 2423 O GLN B 65 5.603 0.438 -2.754 1.00 0.16 O ATOM 2424 CB GLN B 65 6.195 -2.683 -3.843 1.00 0.34 C ATOM 2425 CG GLN B 65 6.892 -1.956 -4.995 1.00 0.57 C ATOM 2426 CD GLN B 65 5.917 -1.277 -5.940 1.00 0.79 C ATOM 2427 OE1 GLN B 65 4.783 -1.718 -6.100 1.00 0.98 O ATOM 2428 NE2 GLN B 65 6.359 -0.208 -6.581 1.00 0.80 N ATOM 0 H GLN B 65 5.470 -3.675 -1.688 1.00 0.15 H new ATOM 0 HA GLN B 65 7.176 -1.494 -2.361 1.00 0.19 H new ATOM 0 HB2 GLN B 65 6.696 -3.636 -3.671 1.00 0.34 H new ATOM 0 HB3 GLN B 65 5.170 -2.910 -4.136 1.00 0.34 H new ATOM 0 HG2 GLN B 65 7.575 -1.210 -4.588 1.00 0.57 H new ATOM 0 HG3 GLN B 65 7.497 -2.669 -5.555 1.00 0.57 H new ATOM 0 HE21 GLN B 65 7.309 0.127 -6.420 1.00 0.80 H new ATOM 0 HE22 GLN B 65 5.750 0.282 -7.237 1.00 0.80 H new ATOM 2437 N ILE B 66 3.909 -1.036 -2.543 1.00 0.15 N ATOM 2438 CA ILE B 66 2.863 -0.024 -2.600 1.00 0.16 C ATOM 2439 C ILE B 66 3.020 0.967 -1.449 1.00 0.11 C ATOM 2440 O ILE B 66 2.912 2.182 -1.635 1.00 0.27 O ATOM 2441 CB ILE B 66 1.459 -0.674 -2.534 1.00 0.27 C ATOM 2442 CG1 ILE B 66 1.186 -1.469 -3.814 1.00 0.64 C ATOM 2443 CG2 ILE B 66 0.386 0.387 -2.321 1.00 0.89 C ATOM 2444 CD1 ILE B 66 0.015 -2.429 -3.716 1.00 1.38 C ATOM 0 H ILE B 66 3.564 -1.990 -2.435 1.00 0.15 H new ATOM 0 HA ILE B 66 2.960 0.504 -3.548 1.00 0.16 H new ATOM 0 HB ILE B 66 1.431 -1.359 -1.686 1.00 0.27 H new ATOM 0 HG12 ILE B 66 1.000 -0.770 -4.629 1.00 0.64 H new ATOM 0 HG13 ILE B 66 2.082 -2.033 -4.076 1.00 0.64 H new ATOM 0 HG21 ILE B 66 -0.593 -0.090 -2.277 1.00 0.89 H new ATOM 0 HG22 ILE B 66 0.575 0.913 -1.385 1.00 0.89 H new ATOM 0 HG23 ILE B 66 0.407 1.097 -3.148 1.00 0.89 H new ATOM 0 HD11 ILE B 66 -0.108 -2.951 -4.665 1.00 1.38 H new ATOM 0 HD12 ILE B 66 0.205 -3.155 -2.925 1.00 1.38 H new ATOM 0 HD13 ILE B 66 -0.894 -1.872 -3.487 1.00 1.38 H new ATOM 2456 N ALA B 67 3.296 0.432 -0.262 1.00 0.16 N ATOM 2457 CA ALA B 67 3.472 1.245 0.930 1.00 0.13 C ATOM 2458 C ALA B 67 4.568 2.288 0.734 1.00 0.06 C ATOM 2459 O ALA B 67 4.346 3.473 0.968 1.00 0.09 O ATOM 2460 CB ALA B 67 3.785 0.361 2.127 1.00 0.16 C ATOM 0 H ALA B 67 3.403 -0.570 -0.104 1.00 0.16 H new ATOM 0 HA ALA B 67 2.539 1.776 1.117 1.00 0.13 H new ATOM 0 HB1 ALA B 67 3.915 0.982 3.014 1.00 0.16 H new ATOM 0 HB2 ALA B 67 2.963 -0.336 2.289 1.00 0.16 H new ATOM 0 HB3 ALA B 67 4.702 -0.197 1.937 1.00 0.16 H new ATOM 2466 N SER B 68 5.731 1.848 0.270 1.00 0.08 N ATOM 2467 CA SER B 68 6.861 2.747 0.052 1.00 0.06 C ATOM 2468 C SER B 68 6.544 3.804 -1.006 1.00 0.16 C ATOM 2469 O SER B 68 6.995 4.947 -0.915 1.00 0.21 O ATOM 2470 CB SER B 68 8.102 1.952 -0.365 1.00 0.06 C ATOM 2471 OG SER B 68 9.245 2.788 -0.434 1.00 0.28 O ATOM 0 H SER B 68 5.918 0.873 0.037 1.00 0.08 H new ATOM 0 HA SER B 68 7.058 3.259 0.994 1.00 0.06 H new ATOM 0 HB2 SER B 68 8.279 1.147 0.349 1.00 0.06 H new ATOM 0 HB3 SER B 68 7.930 1.486 -1.335 1.00 0.06 H new ATOM 0 HG SER B 68 10.024 2.256 -0.701 1.00 0.28 H new ATOM 2477 N GLU B 69 5.772 3.425 -2.013 1.00 0.26 N ATOM 2478 CA GLU B 69 5.408 4.349 -3.078 1.00 0.35 C ATOM 2479 C GLU B 69 4.490 5.454 -2.564 1.00 0.24 C ATOM 2480 O GLU B 69 4.713 6.633 -2.836 1.00 0.18 O ATOM 2481 CB GLU B 69 4.739 3.599 -4.232 1.00 0.52 C ATOM 2482 CG GLU B 69 5.713 2.789 -5.073 1.00 0.44 C ATOM 2483 CD GLU B 69 6.780 3.650 -5.716 1.00 1.20 C ATOM 2484 OE1 GLU B 69 6.554 4.137 -6.844 1.00 1.60 O1- ATOM 2485 OE2 GLU B 69 7.844 3.850 -5.094 1.00 1.71 O ATOM 0 H GLU B 69 5.386 2.487 -2.116 1.00 0.26 H new ATOM 0 HA GLU B 69 6.324 4.814 -3.443 1.00 0.35 H new ATOM 0 HB2 GLU B 69 3.977 2.932 -3.828 1.00 0.52 H new ATOM 0 HB3 GLU B 69 4.227 4.317 -4.873 1.00 0.52 H new ATOM 0 HG2 GLU B 69 6.189 2.034 -4.446 1.00 0.44 H new ATOM 0 HG3 GLU B 69 5.163 2.258 -5.850 1.00 0.44 H new ATOM 2492 N TYR B 70 3.478 5.072 -1.802 1.00 0.23 N ATOM 2493 CA TYR B 70 2.526 6.037 -1.268 1.00 0.15 C ATOM 2494 C TYR B 70 3.114 6.841 -0.111 1.00 0.08 C ATOM 2495 O TYR B 70 2.767 8.009 0.076 1.00 0.12 O ATOM 2496 CB TYR B 70 1.245 5.332 -0.829 1.00 0.24 C ATOM 2497 CG TYR B 70 0.294 5.059 -1.970 1.00 0.32 C ATOM 2498 CD1 TYR B 70 0.505 3.996 -2.835 1.00 0.75 C ATOM 2499 CD2 TYR B 70 -0.812 5.870 -2.184 1.00 0.57 C ATOM 2500 CE1 TYR B 70 -0.359 3.745 -3.879 1.00 0.85 C ATOM 2501 CE2 TYR B 70 -1.682 5.627 -3.227 1.00 0.56 C ATOM 2502 CZ TYR B 70 -1.449 4.563 -4.073 1.00 0.50 C ATOM 2503 OH TYR B 70 -2.309 4.319 -5.119 1.00 0.59 O ATOM 0 H TYR B 70 3.293 4.104 -1.539 1.00 0.23 H new ATOM 0 HA TYR B 70 2.291 6.740 -2.067 1.00 0.15 H new ATOM 0 HB2 TYR B 70 1.504 4.389 -0.347 1.00 0.24 H new ATOM 0 HB3 TYR B 70 0.739 5.944 -0.082 1.00 0.24 H new ATOM 0 HD1 TYR B 70 1.361 3.354 -2.688 1.00 0.75 H new ATOM 0 HD2 TYR B 70 -0.995 6.705 -1.523 1.00 0.57 H new ATOM 0 HE1 TYR B 70 -0.182 2.911 -4.542 1.00 0.85 H new ATOM 0 HE2 TYR B 70 -2.539 6.266 -3.380 1.00 0.56 H new ATOM 0 HH TYR B 70 -2.129 3.430 -5.490 1.00 0.59 H new ATOM 2513 N LEU B 71 4.003 6.222 0.660 1.00 0.09 N ATOM 2514 CA LEU B 71 4.633 6.900 1.795 1.00 0.17 C ATOM 2515 C LEU B 71 5.445 8.102 1.323 1.00 0.22 C ATOM 2516 O LEU B 71 5.445 9.153 1.966 1.00 0.26 O ATOM 2517 CB LEU B 71 5.517 5.932 2.588 1.00 0.24 C ATOM 2518 CG LEU B 71 4.829 5.299 3.816 1.00 0.27 C ATOM 2519 CD1 LEU B 71 5.515 4.011 4.253 1.00 0.32 C ATOM 2520 CD2 LEU B 71 4.797 6.281 4.974 1.00 0.32 C ATOM 0 H LEU B 71 4.304 5.257 0.523 1.00 0.09 H new ATOM 0 HA LEU B 71 3.842 7.257 2.455 1.00 0.17 H new ATOM 0 HB2 LEU B 71 5.850 5.135 1.923 1.00 0.24 H new ATOM 0 HB3 LEU B 71 6.409 6.463 2.920 1.00 0.24 H new ATOM 0 HG LEU B 71 3.809 5.053 3.520 1.00 0.27 H new ATOM 0 HD11 LEU B 71 4.998 3.600 5.120 1.00 0.32 H new ATOM 0 HD12 LEU B 71 5.487 3.289 3.437 1.00 0.32 H new ATOM 0 HD13 LEU B 71 6.552 4.222 4.515 1.00 0.32 H new ATOM 0 HD21 LEU B 71 4.308 5.817 5.831 1.00 0.32 H new ATOM 0 HD22 LEU B 71 5.816 6.559 5.244 1.00 0.32 H new ATOM 0 HD23 LEU B 71 4.244 7.173 4.680 1.00 0.32 H new ATOM 2532 N LYS B 72 6.126 7.946 0.193 1.00 0.23 N ATOM 2533 CA LYS B 72 6.924 9.029 -0.371 1.00 0.27 C ATOM 2534 C LYS B 72 6.034 10.217 -0.713 1.00 0.24 C ATOM 2535 O LYS B 72 6.381 11.373 -0.458 1.00 0.29 O ATOM 2536 CB LYS B 72 7.652 8.562 -1.635 1.00 0.31 C ATOM 2537 CG LYS B 72 8.880 7.713 -1.362 1.00 0.38 C ATOM 2538 CD LYS B 72 9.675 7.450 -2.634 1.00 0.40 C ATOM 2539 CE LYS B 72 8.941 6.505 -3.576 1.00 0.52 C ATOM 2540 NZ LYS B 72 8.799 5.141 -2.999 1.00 0.58 N1+ ATOM 0 H LYS B 72 6.142 7.082 -0.350 1.00 0.23 H new ATOM 0 HA LYS B 72 7.661 9.329 0.374 1.00 0.27 H new ATOM 0 HB2 LYS B 72 6.958 7.991 -2.252 1.00 0.31 H new ATOM 0 HB3 LYS B 72 7.949 9.436 -2.215 1.00 0.31 H new ATOM 0 HG2 LYS B 72 9.515 8.215 -0.633 1.00 0.38 H new ATOM 0 HG3 LYS B 72 8.576 6.764 -0.920 1.00 0.38 H new ATOM 0 HD2 LYS B 72 9.867 8.394 -3.144 1.00 0.40 H new ATOM 0 HD3 LYS B 72 10.644 7.024 -2.375 1.00 0.40 H new ATOM 0 HE2 LYS B 72 7.953 6.909 -3.798 1.00 0.52 H new ATOM 0 HE3 LYS B 72 9.480 6.444 -4.521 1.00 0.52 H new ATOM 0 HZ1 LYS B 72 8.564 4.467 -3.755 1.00 0.58 H new ATOM 0 HZ2 LYS B 72 9.693 4.859 -2.549 1.00 0.58 H new ATOM 0 HZ3 LYS B 72 8.040 5.142 -2.288 1.00 0.58 H new ATOM 2554 N LEU B 73 4.872 9.912 -1.272 1.00 0.17 N ATOM 2555 CA LEU B 73 3.917 10.932 -1.670 1.00 0.14 C ATOM 2556 C LEU B 73 3.279 11.593 -0.448 1.00 0.11 C ATOM 2557 O LEU B 73 3.056 12.803 -0.434 1.00 0.09 O ATOM 2558 CB LEU B 73 2.846 10.314 -2.576 1.00 0.13 C ATOM 2559 CG LEU B 73 1.803 11.284 -3.139 1.00 0.12 C ATOM 2560 CD1 LEU B 73 2.468 12.443 -3.864 1.00 0.08 C ATOM 2561 CD2 LEU B 73 0.858 10.553 -4.076 1.00 0.15 C ATOM 0 H LEU B 73 4.567 8.957 -1.461 1.00 0.17 H new ATOM 0 HA LEU B 73 4.445 11.707 -2.225 1.00 0.14 H new ATOM 0 HB2 LEU B 73 3.344 9.822 -3.411 1.00 0.13 H new ATOM 0 HB3 LEU B 73 2.326 9.538 -2.014 1.00 0.13 H new ATOM 0 HG LEU B 73 1.232 11.689 -2.303 1.00 0.12 H new ATOM 0 HD11 LEU B 73 1.704 13.115 -4.253 1.00 0.08 H new ATOM 0 HD12 LEU B 73 3.110 12.986 -3.170 1.00 0.08 H new ATOM 0 HD13 LEU B 73 3.068 12.060 -4.689 1.00 0.08 H new ATOM 0 HD21 LEU B 73 0.121 11.254 -4.469 1.00 0.15 H new ATOM 0 HD22 LEU B 73 1.425 10.121 -4.901 1.00 0.15 H new ATOM 0 HD23 LEU B 73 0.348 9.758 -3.531 1.00 0.15 H new ATOM 2573 N LYS B 74 2.999 10.802 0.582 1.00 0.11 N ATOM 2574 CA LYS B 74 2.396 11.334 1.799 1.00 0.10 C ATOM 2575 C LYS B 74 3.353 12.306 2.486 1.00 0.13 C ATOM 2576 O LYS B 74 2.929 13.298 3.083 1.00 0.13 O ATOM 2577 CB LYS B 74 1.994 10.206 2.763 1.00 0.12 C ATOM 2578 CG LYS B 74 3.052 9.865 3.805 1.00 0.20 C ATOM 2579 CD LYS B 74 2.436 9.332 5.086 1.00 0.28 C ATOM 2580 CE LYS B 74 2.120 10.464 6.046 1.00 0.32 C ATOM 2581 NZ LYS B 74 3.353 11.028 6.661 1.00 0.43 N1+ ATOM 0 H LYS B 74 3.178 9.798 0.600 1.00 0.11 H new ATOM 0 HA LYS B 74 1.491 11.871 1.517 1.00 0.10 H new ATOM 0 HB2 LYS B 74 1.075 10.492 3.275 1.00 0.12 H new ATOM 0 HB3 LYS B 74 1.770 9.311 2.183 1.00 0.12 H new ATOM 0 HG2 LYS B 74 3.738 9.123 3.396 1.00 0.20 H new ATOM 0 HG3 LYS B 74 3.641 10.755 4.028 1.00 0.20 H new ATOM 0 HD2 LYS B 74 1.524 8.781 4.854 1.00 0.28 H new ATOM 0 HD3 LYS B 74 3.122 8.629 5.559 1.00 0.28 H new ATOM 0 HE2 LYS B 74 1.585 11.252 5.515 1.00 0.32 H new ATOM 0 HE3 LYS B 74 1.456 10.101 6.830 1.00 0.32 H new ATOM 0 HZ1 LYS B 74 3.109 11.872 7.217 1.00 0.43 H new ATOM 0 HZ2 LYS B 74 3.787 10.317 7.284 1.00 0.43 H new ATOM 0 HZ3 LYS B 74 4.026 11.289 5.912 1.00 0.43 H new ATOM 2595 N GLU B 75 4.645 12.017 2.393 1.00 0.17 N ATOM 2596 CA GLU B 75 5.659 12.868 2.993 1.00 0.20 C ATOM 2597 C GLU B 75 5.787 14.153 2.186 1.00 0.16 C ATOM 2598 O GLU B 75 5.891 15.250 2.742 1.00 0.20 O ATOM 2599 CB GLU B 75 7.005 12.142 3.063 1.00 0.27 C ATOM 2600 CG GLU B 75 7.700 12.288 4.408 1.00 0.36 C ATOM 2601 CD GLU B 75 6.965 11.581 5.535 1.00 0.45 C ATOM 2602 OE1 GLU B 75 5.763 11.858 5.742 1.00 0.55 O ATOM 2603 OE2 GLU B 75 7.594 10.756 6.232 1.00 0.44 O1- ATOM 0 H GLU B 75 5.013 11.199 1.907 1.00 0.17 H new ATOM 0 HA GLU B 75 5.357 13.113 4.011 1.00 0.20 H new ATOM 0 HB2 GLU B 75 6.850 11.083 2.855 1.00 0.27 H new ATOM 0 HB3 GLU B 75 7.659 12.528 2.281 1.00 0.27 H new ATOM 0 HG2 GLU B 75 8.711 11.888 4.334 1.00 0.36 H new ATOM 0 HG3 GLU B 75 7.793 13.347 4.650 1.00 0.36 H new ATOM 2610 N GLU B 76 5.760 13.999 0.867 1.00 0.13 N ATOM 2611 CA GLU B 76 5.840 15.129 -0.055 1.00 0.11 C ATOM 2612 C GLU B 76 4.671 16.078 0.189 1.00 0.08 C ATOM 2613 O GLU B 76 4.816 17.301 0.118 1.00 0.08 O ATOM 2614 CB GLU B 76 5.817 14.617 -1.501 1.00 0.17 C ATOM 2615 CG GLU B 76 5.876 15.717 -2.549 1.00 0.18 C ATOM 2616 CD GLU B 76 7.105 16.594 -2.412 1.00 0.21 C ATOM 2617 OE1 GLU B 76 8.182 16.070 -2.061 1.00 0.34 O1- ATOM 2618 OE2 GLU B 76 6.998 17.811 -2.661 1.00 0.20 O ATOM 0 H GLU B 76 5.682 13.092 0.407 1.00 0.13 H new ATOM 0 HA GLU B 76 6.771 15.670 0.114 1.00 0.11 H new ATOM 0 HB2 GLU B 76 6.660 13.942 -1.650 1.00 0.17 H new ATOM 0 HB3 GLU B 76 4.910 14.032 -1.654 1.00 0.17 H new ATOM 0 HG2 GLU B 76 5.865 15.267 -3.542 1.00 0.18 H new ATOM 0 HG3 GLU B 76 4.983 16.336 -2.470 1.00 0.18 H new ATOM 2625 N TYR B 77 3.523 15.493 0.509 1.00 0.07 N ATOM 2626 CA TYR B 77 2.303 16.239 0.790 1.00 0.11 C ATOM 2627 C TYR B 77 2.513 17.220 1.947 1.00 0.13 C ATOM 2628 O TYR B 77 1.943 18.311 1.965 1.00 0.22 O ATOM 2629 CB TYR B 77 1.182 15.242 1.107 1.00 0.13 C ATOM 2630 CG TYR B 77 -0.049 15.841 1.747 1.00 0.15 C ATOM 2631 CD1 TYR B 77 -0.773 16.840 1.111 1.00 0.22 C ATOM 2632 CD2 TYR B 77 -0.492 15.396 2.983 1.00 0.12 C ATOM 2633 CE1 TYR B 77 -1.907 17.381 1.689 1.00 0.25 C ATOM 2634 CE2 TYR B 77 -1.622 15.928 3.569 1.00 0.14 C ATOM 2635 CZ TYR B 77 -2.327 16.919 2.921 1.00 0.20 C ATOM 2636 OH TYR B 77 -3.453 17.448 3.510 1.00 0.23 O ATOM 0 H TYR B 77 3.412 14.482 0.581 1.00 0.07 H new ATOM 0 HA TYR B 77 2.027 16.831 -0.083 1.00 0.11 H new ATOM 0 HB2 TYR B 77 0.887 14.746 0.183 1.00 0.13 H new ATOM 0 HB3 TYR B 77 1.578 14.472 1.769 1.00 0.13 H new ATOM 0 HD1 TYR B 77 -0.445 17.201 0.148 1.00 0.22 H new ATOM 0 HD2 TYR B 77 0.057 14.620 3.496 1.00 0.12 H new ATOM 0 HE1 TYR B 77 -2.459 18.158 1.181 1.00 0.25 H new ATOM 0 HE2 TYR B 77 -1.953 15.569 4.532 1.00 0.14 H new ATOM 0 HH TYR B 77 -4.099 16.732 3.683 1.00 0.23 H new ATOM 2646 N GLN B 78 3.342 16.831 2.903 1.00 0.22 N ATOM 2647 CA GLN B 78 3.630 17.679 4.049 1.00 0.30 C ATOM 2648 C GLN B 78 4.755 18.659 3.729 1.00 0.37 C ATOM 2649 O GLN B 78 4.739 19.802 4.178 1.00 0.84 O ATOM 2650 CB GLN B 78 4.020 16.827 5.256 1.00 0.28 C ATOM 2651 CG GLN B 78 2.878 15.989 5.805 1.00 0.17 C ATOM 2652 CD GLN B 78 1.753 16.837 6.370 1.00 0.26 C ATOM 2653 OE1 GLN B 78 1.974 17.947 6.861 1.00 0.53 O ATOM 2654 NE2 GLN B 78 0.543 16.316 6.313 1.00 0.24 N ATOM 0 H GLN B 78 3.827 15.934 2.908 1.00 0.22 H new ATOM 0 HA GLN B 78 2.728 18.245 4.285 1.00 0.30 H new ATOM 0 HB2 GLN B 78 4.841 16.167 4.974 1.00 0.28 H new ATOM 0 HB3 GLN B 78 4.393 17.480 6.045 1.00 0.28 H new ATOM 0 HG2 GLN B 78 2.485 15.352 5.012 1.00 0.17 H new ATOM 0 HG3 GLN B 78 3.258 15.329 6.585 1.00 0.17 H new ATOM 0 HE21 GLN B 78 0.404 15.395 5.898 1.00 0.24 H new ATOM 0 HE22 GLN B 78 -0.253 16.834 6.683 1.00 0.24 H new ATOM 2663 N ARG B 79 5.714 18.199 2.930 1.00 0.28 N ATOM 2664 CA ARG B 79 6.881 19.000 2.548 1.00 0.30 C ATOM 2665 C ARG B 79 6.509 20.368 1.977 1.00 0.27 C ATOM 2666 O ARG B 79 6.976 21.396 2.467 1.00 0.23 O ATOM 2667 CB ARG B 79 7.731 18.244 1.523 1.00 0.34 C ATOM 2668 CG ARG B 79 8.519 17.082 2.113 1.00 0.63 C ATOM 2669 CD ARG B 79 9.966 17.460 2.389 1.00 0.85 C ATOM 2670 NE ARG B 79 10.103 18.298 3.580 1.00 1.45 N ATOM 2671 CZ ARG B 79 11.250 18.847 3.982 1.00 1.28 C ATOM 2672 NH1 ARG B 79 12.363 18.665 3.282 1.00 0.73 N1+ ATOM 2673 NH2 ARG B 79 11.271 19.579 5.089 1.00 2.05 N ATOM 0 H ARG B 79 5.707 17.262 2.528 1.00 0.28 H new ATOM 0 HA ARG B 79 7.448 19.170 3.464 1.00 0.30 H new ATOM 0 HB2 ARG B 79 7.081 17.866 0.734 1.00 0.34 H new ATOM 0 HB3 ARG B 79 8.426 18.942 1.056 1.00 0.34 H new ATOM 0 HG2 ARG B 79 8.046 16.756 3.039 1.00 0.63 H new ATOM 0 HG3 ARG B 79 8.489 16.237 1.425 1.00 0.63 H new ATOM 0 HD2 ARG B 79 10.558 16.554 2.515 1.00 0.85 H new ATOM 0 HD3 ARG B 79 10.372 17.989 1.527 1.00 0.85 H new ATOM 0 HE ARG B 79 9.268 18.474 4.139 1.00 1.45 H new ATOM 0 HH11 ARG B 79 12.344 18.103 2.431 1.00 0.73 H new ATOM 0 HH12 ARG B 79 13.237 19.088 3.595 1.00 0.73 H new ATOM 0 HH21 ARG B 79 10.414 19.718 5.625 1.00 2.05 H new ATOM 0 HH22 ARG B 79 12.144 20.003 5.404 1.00 2.05 H new ATOM 2687 N LEU B 80 5.672 20.383 0.947 1.00 0.30 N ATOM 2688 CA LEU B 80 5.279 21.639 0.311 1.00 0.28 C ATOM 2689 C LEU B 80 4.465 22.515 1.261 1.00 0.23 C ATOM 2690 O LEU B 80 4.561 23.744 1.224 1.00 0.28 O ATOM 2691 CB LEU B 80 4.481 21.373 -0.970 1.00 0.31 C ATOM 2692 CG LEU B 80 2.986 21.083 -0.769 1.00 0.48 C ATOM 2693 CD1 LEU B 80 2.136 21.902 -1.735 1.00 0.79 C ATOM 2694 CD2 LEU B 80 2.696 19.597 -0.937 1.00 0.44 C ATOM 0 H LEU B 80 5.254 19.549 0.535 1.00 0.30 H new ATOM 0 HA LEU B 80 6.193 22.174 0.053 1.00 0.28 H new ATOM 0 HB2 LEU B 80 4.581 22.238 -1.626 1.00 0.31 H new ATOM 0 HB3 LEU B 80 4.931 20.526 -1.489 1.00 0.31 H new ATOM 0 HG LEU B 80 2.724 21.374 0.248 1.00 0.48 H new ATOM 0 HD11 LEU B 80 1.082 21.678 -1.572 1.00 0.79 H new ATOM 0 HD12 LEU B 80 2.312 22.964 -1.564 1.00 0.79 H new ATOM 0 HD13 LEU B 80 2.406 21.650 -2.761 1.00 0.79 H new ATOM 0 HD21 LEU B 80 1.631 19.415 -0.790 1.00 0.44 H new ATOM 0 HD22 LEU B 80 2.983 19.281 -1.940 1.00 0.44 H new ATOM 0 HD23 LEU B 80 3.266 19.030 -0.201 1.00 0.44 H new ATOM 2706 N ARG B 81 3.682 21.882 2.122 1.00 0.20 N ATOM 2707 CA ARG B 81 2.844 22.611 3.065 1.00 0.15 C ATOM 2708 C ARG B 81 3.688 23.301 4.132 1.00 0.15 C ATOM 2709 O ARG B 81 3.531 24.497 4.387 1.00 0.43 O ATOM 2710 CB ARG B 81 1.838 21.673 3.732 1.00 0.22 C ATOM 2711 CG ARG B 81 0.713 21.214 2.813 1.00 0.32 C ATOM 2712 CD ARG B 81 -0.255 20.285 3.537 1.00 0.65 C ATOM 2713 NE ARG B 81 -0.491 20.705 4.919 1.00 1.05 N ATOM 2714 CZ ARG B 81 -1.581 20.410 5.624 1.00 1.70 C ATOM 2715 NH1 ARG B 81 -2.559 19.680 5.090 1.00 2.04 N1+ ATOM 2716 NH2 ARG B 81 -1.687 20.842 6.872 1.00 2.12 N ATOM 0 H ARG B 81 3.609 20.867 2.188 1.00 0.20 H new ATOM 0 HA ARG B 81 2.303 23.372 2.503 1.00 0.15 H new ATOM 0 HB2 ARG B 81 2.367 20.797 4.107 1.00 0.22 H new ATOM 0 HB3 ARG B 81 1.405 22.177 4.596 1.00 0.22 H new ATOM 0 HG2 ARG B 81 0.173 22.082 2.436 1.00 0.32 H new ATOM 0 HG3 ARG B 81 1.134 20.701 1.949 1.00 0.32 H new ATOM 0 HD2 ARG B 81 -1.203 20.259 2.999 1.00 0.65 H new ATOM 0 HD3 ARG B 81 0.143 19.270 3.530 1.00 0.65 H new ATOM 0 HE ARG B 81 0.231 21.263 5.374 1.00 1.05 H new ATOM 0 HH11 ARG B 81 -2.477 19.341 4.132 1.00 2.04 H new ATOM 0 HH12 ARG B 81 -3.390 19.460 5.640 1.00 2.04 H new ATOM 0 HH21 ARG B 81 -0.937 21.396 7.285 1.00 2.12 H new ATOM 0 HH22 ARG B 81 -2.519 20.621 7.419 1.00 2.12 H new ATOM 2730 N GLU B 82 4.596 22.545 4.740 1.00 0.39 N ATOM 2731 CA GLU B 82 5.453 23.078 5.792 1.00 0.44 C ATOM 2732 C GLU B 82 6.443 24.105 5.249 1.00 0.34 C ATOM 2733 O GLU B 82 6.917 24.967 5.990 1.00 0.27 O ATOM 2734 CB GLU B 82 6.196 21.952 6.516 1.00 0.69 C ATOM 2735 CG GLU B 82 7.217 21.219 5.661 1.00 0.48 C ATOM 2736 CD GLU B 82 7.669 19.915 6.283 1.00 0.92 C ATOM 2737 OE1 GLU B 82 7.016 19.445 7.240 1.00 1.27 O ATOM 2738 OE2 GLU B 82 8.679 19.352 5.816 1.00 1.70 O1- ATOM 0 H GLU B 82 4.757 21.562 4.522 1.00 0.39 H new ATOM 0 HA GLU B 82 4.806 23.585 6.508 1.00 0.44 H new ATOM 0 HB2 GLU B 82 6.702 22.369 7.387 1.00 0.69 H new ATOM 0 HB3 GLU B 82 5.466 21.232 6.886 1.00 0.69 H new ATOM 0 HG2 GLU B 82 6.787 21.019 4.680 1.00 0.48 H new ATOM 0 HG3 GLU B 82 8.083 21.862 5.505 1.00 0.48 H new ATOM 2745 N GLN B 83 6.748 24.012 3.961 1.00 0.35 N ATOM 2746 CA GLN B 83 7.676 24.938 3.325 1.00 0.31 C ATOM 2747 C GLN B 83 7.007 26.288 3.085 1.00 0.28 C ATOM 2748 O GLN B 83 7.621 27.336 3.268 1.00 0.30 O ATOM 2749 CB GLN B 83 8.182 24.360 1.999 1.00 0.36 C ATOM 2750 CG GLN B 83 9.530 24.913 1.573 1.00 0.39 C ATOM 2751 CD GLN B 83 9.984 24.372 0.233 1.00 0.29 C ATOM 2752 OE1 GLN B 83 10.651 23.341 0.159 1.00 0.45 O ATOM 2753 NE2 GLN B 83 9.635 25.072 -0.833 1.00 0.89 N ATOM 0 H GLN B 83 6.365 23.303 3.335 1.00 0.35 H new ATOM 0 HA GLN B 83 8.525 25.084 3.993 1.00 0.31 H new ATOM 0 HB2 GLN B 83 8.255 23.276 2.088 1.00 0.36 H new ATOM 0 HB3 GLN B 83 7.450 24.567 1.218 1.00 0.36 H new ATOM 0 HG2 GLN B 83 9.473 26.000 1.521 1.00 0.39 H new ATOM 0 HG3 GLN B 83 10.275 24.669 2.331 1.00 0.39 H new ATOM 0 HE21 GLN B 83 9.081 25.922 -0.726 1.00 0.89 H new ATOM 0 HE22 GLN B 83 9.920 24.762 -1.762 1.00 0.89 H new ATOM 2762 N LEU B 84 5.741 26.254 2.691 1.00 0.27 N ATOM 2763 CA LEU B 84 4.990 27.475 2.416 1.00 0.26 C ATOM 2764 C LEU B 84 4.804 28.307 3.684 1.00 0.19 C ATOM 2765 O LEU B 84 4.995 29.525 3.676 1.00 0.26 O ATOM 2766 CB LEU B 84 3.625 27.127 1.813 1.00 0.39 C ATOM 2767 CG LEU B 84 2.743 28.332 1.433 1.00 0.50 C ATOM 2768 CD1 LEU B 84 3.344 29.107 0.265 1.00 0.62 C ATOM 2769 CD2 LEU B 84 1.316 27.896 1.099 1.00 1.24 C ATOM 0 H LEU B 84 5.211 25.394 2.554 1.00 0.27 H new ATOM 0 HA LEU B 84 5.560 28.069 1.701 1.00 0.26 H new ATOM 0 HB2 LEU B 84 3.785 26.520 0.922 1.00 0.39 H new ATOM 0 HB3 LEU B 84 3.079 26.509 2.526 1.00 0.39 H new ATOM 0 HG LEU B 84 2.704 28.990 2.301 1.00 0.50 H new ATOM 0 HD11 LEU B 84 2.700 29.951 0.019 1.00 0.62 H new ATOM 0 HD12 LEU B 84 4.333 29.473 0.542 1.00 0.62 H new ATOM 0 HD13 LEU B 84 3.429 28.451 -0.601 1.00 0.62 H new ATOM 0 HD21 LEU B 84 0.721 28.770 0.835 1.00 1.24 H new ATOM 0 HD22 LEU B 84 1.335 27.203 0.258 1.00 1.24 H new ATOM 0 HD23 LEU B 84 0.874 27.404 1.965 1.00 1.24 H new ATOM 2781 N LYS B 85 4.458 27.639 4.777 1.00 0.35 N ATOM 2782 CA LYS B 85 4.228 28.312 6.055 1.00 0.59 C ATOM 2783 C LYS B 85 5.534 28.516 6.828 1.00 0.72 C ATOM 2784 O LYS B 85 5.544 28.538 8.062 1.00 0.98 O ATOM 2785 CB LYS B 85 3.230 27.508 6.898 1.00 0.69 C ATOM 2786 CG LYS B 85 3.794 26.200 7.444 1.00 0.66 C ATOM 2787 CD LYS B 85 2.719 25.341 8.093 1.00 0.84 C ATOM 2788 CE LYS B 85 3.321 24.179 8.870 1.00 1.01 C ATOM 2789 NZ LYS B 85 4.039 24.630 10.092 1.00 1.80 N1+ ATOM 0 H LYS B 85 4.329 26.628 4.807 1.00 0.35 H new ATOM 0 HA LYS B 85 3.812 29.297 5.846 1.00 0.59 H new ATOM 0 HB2 LYS B 85 2.895 28.124 7.732 1.00 0.69 H new ATOM 0 HB3 LYS B 85 2.351 27.288 6.291 1.00 0.69 H new ATOM 0 HG2 LYS B 85 4.264 25.642 6.634 1.00 0.66 H new ATOM 0 HG3 LYS B 85 4.573 26.418 8.174 1.00 0.66 H new ATOM 0 HD2 LYS B 85 2.118 25.955 8.764 1.00 0.84 H new ATOM 0 HD3 LYS B 85 2.047 24.957 7.325 1.00 0.84 H new ATOM 0 HE2 LYS B 85 2.530 23.484 9.152 1.00 1.01 H new ATOM 0 HE3 LYS B 85 4.011 23.633 8.227 1.00 1.01 H new ATOM 0 HZ1 LYS B 85 4.225 23.812 10.707 1.00 1.80 H new ATOM 0 HZ2 LYS B 85 4.941 25.072 9.822 1.00 1.80 H new ATOM 0 HZ3 LYS B 85 3.454 25.322 10.603 1.00 1.80 H new ATOM 2803 N LYS B 86 6.630 28.682 6.105 1.00 0.59 N ATOM 2804 CA LYS B 86 7.928 28.880 6.729 1.00 0.82 C ATOM 2805 C LYS B 86 8.780 29.842 5.908 1.00 0.82 C ATOM 2806 O LYS B 86 8.679 31.066 6.137 1.00 1.02 O ATOM 2807 CB LYS B 86 8.637 27.535 6.887 1.00 1.00 C ATOM 2808 CG LYS B 86 9.993 27.630 7.566 1.00 1.09 C ATOM 2809 CD LYS B 86 10.847 26.404 7.280 1.00 1.23 C ATOM 2810 CE LYS B 86 11.089 26.217 5.788 1.00 1.10 C ATOM 2811 NZ LYS B 86 11.576 27.466 5.144 1.00 0.86 N1+ ATOM 0 H LYS B 86 6.646 28.684 5.085 1.00 0.59 H new ATOM 0 HA LYS B 86 7.780 29.320 7.715 1.00 0.82 H new ATOM 0 HB2 LYS B 86 7.999 26.865 7.463 1.00 1.00 H new ATOM 0 HB3 LYS B 86 8.765 27.085 5.903 1.00 1.00 H new ATOM 0 HG2 LYS B 86 10.512 28.524 7.221 1.00 1.09 H new ATOM 0 HG3 LYS B 86 9.856 27.736 8.642 1.00 1.09 H new ATOM 0 HD2 LYS B 86 11.803 26.500 7.794 1.00 1.23 H new ATOM 0 HD3 LYS B 86 10.356 25.518 7.682 1.00 1.23 H new ATOM 0 HE2 LYS B 86 11.819 25.422 5.636 1.00 1.10 H new ATOM 0 HE3 LYS B 86 10.164 25.898 5.308 1.00 1.10 H new ATOM 0 HZ1 LYS B 86 11.920 27.251 4.186 1.00 0.86 H new ATOM 0 HZ2 LYS B 86 10.798 28.153 5.086 1.00 0.86 H new ATOM 0 HZ3 LYS B 86 12.352 27.868 5.708 1.00 0.86 H new TER 2825 LYS B 86