USER MOD reduce.3.24.130724 H: found=0, std=0, add=1434, rem=0, adj=46 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+ 170:sc= 1.63 (180deg=1.03) USER MOD Set 2.1: B 13 SER OG : rot -65:sc= 1.22 USER MOD Set 2.2: B 22 THR OG1 : rot 180:sc= 1.06 USER MOD Set 3.1: A 17 TYR OH : rot 40:sc= 0.386 USER MOD Set 3.2: A 47 SER OG : rot 84:sc= 1.64 USER MOD Set 4.1: A 42 LYS NZ :NH3+ -148:sc= 1.69 (180deg=-0.625) USER MOD Set 4.2: A 65 GLN : amide:sc= 0.939 K(o=2.6,f=-4.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 156:sc= -0.491 (180deg=-1.89!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.5) 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= -0.0822 K(o=-0.082,f=-0.68) USER MOD Single : A 21 TYR OH : rot 30:sc= -0.317 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -73:sc=-0.00479 USER MOD Single : A 31 HIS : no HE2:sc= -1.92! C(o=-0.87!,f=-9.9!) USER MOD Single : A 43 MET CE :methyl 141:sc= -2.74 (180deg=-8.73!) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.822 K(o=-0.82,f=0.16) USER MOD Single : A 52 MET CE :methyl -164:sc= -0.193 (180deg=-0.608) USER MOD Single : A 57 LYS NZ :NH3+ -150:sc= 1.21 (180deg=-0.0316) USER MOD Single : A 62 THR OG1 : rot -56:sc= 1.2 USER MOD Single : A 68 SER OG : rot -162:sc= 0.429 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -138:sc= -0.722! (180deg=-2.12!) USER MOD Single : A 74 LYS NZ :NH3+ -168:sc= 1.28 (180deg=1.24) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.175 K(o=-0.18,f=-0.69) 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+ 166:sc= 1.26 (180deg=0.782) USER MOD Single : B 1 GLY N :NH3+ -109:sc= 0.0785 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0.0601 USER MOD Single : B 3 HIS : no HD1:sc= -0.46 K(o=-0.46,f=-1!) USER MOD Single : B 4 MET CE :methyl 163:sc= -0.0558 (180deg=-0.416) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0.0653 USER MOD Single : B 7 GLN : amide:sc= -0.526 K(o=-0.53,f=0) USER MOD Single : B 9 LYS NZ :NH3+ -162:sc= -0.0162 (180deg=-0.251) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= -0.0376 K(o=-0.038,f=-1.2) USER MOD Single : B 21 TYR OH : rot -165:sc= -0.195 USER MOD Single : B 28 SER OG : rot 88:sc= 1.24 USER MOD Single : B 31 HIS : no HE2:sc= 0.355 K(o=0.36,f=-5!) USER MOD Single : B 42 LYS NZ :NH3+ -142:sc= 1.21 (180deg=-0.583!) USER MOD Single : B 43 MET CE :methyl 170:sc= -0.0508 (180deg=-0.269) USER MOD Single : B 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 47 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : B 52 MET CE :methyl -127:sc= -0.803 (180deg=-1.14) USER MOD Single : B 57 LYS NZ :NH3+ -145:sc= 1.22 (180deg=0.863) USER MOD Single : B 62 THR OG1 : rot 38:sc= 0.315 USER MOD Single : B 65 GLN : amide:sc= -0.47 K(o=-0.47,f=-2.6!) USER MOD Single : B 70 TYR OH : rot 180:sc= 0 USER MOD Single : B 74 LYS NZ :NH3+ -165:sc= 1.28 (180deg=1.22) USER MOD Single : B 77 TYR OH : rot 86:sc= 1.28 USER MOD Single : B 78 GLN : amide:sc= -0.107 K(o=-0.11,f=-0.81) USER MOD Single : B 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 86 LYS NZ :NH3+ 145:sc= 0 (180deg=-0.0981) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.154 -5.958 -7.558 1.00 0.23 N ATOM 2 CA GLY A 1 28.685 -4.919 -8.470 1.00 0.52 C ATOM 3 C GLY A 1 27.618 -4.404 -9.406 1.00 0.32 C ATOM 4 O GLY A 1 26.968 -5.185 -10.102 1.00 0.19 O ATOM 0 H1 GLY A 1 28.913 -6.289 -6.929 1.00 0.23 H new ATOM 0 H2 GLY A 1 27.382 -5.558 -6.987 1.00 0.23 H new ATOM 0 H3 GLY A 1 27.793 -6.758 -8.116 1.00 0.23 H new ATOM 0 HA2 GLY A 1 29.087 -4.092 -7.885 1.00 0.52 H new ATOM 0 HA3 GLY A 1 29.511 -5.331 -9.050 1.00 0.52 H new ATOM 10 N SER A 2 27.422 -3.096 -9.424 1.00 0.42 N ATOM 11 CA SER A 2 26.416 -2.494 -10.281 1.00 0.34 C ATOM 12 C SER A 2 26.990 -2.197 -11.665 1.00 0.28 C ATOM 13 O SER A 2 26.289 -2.326 -12.670 1.00 0.53 O ATOM 14 CB SER A 2 25.879 -1.216 -9.636 1.00 0.58 C ATOM 15 OG SER A 2 25.542 -1.446 -8.277 1.00 0.54 O ATOM 0 H SER A 2 27.946 -2.431 -8.855 1.00 0.42 H new ATOM 0 HA SER A 2 25.594 -3.200 -10.402 1.00 0.34 H new ATOM 0 HB2 SER A 2 26.628 -0.427 -9.702 1.00 0.58 H new ATOM 0 HB3 SER A 2 25.001 -0.869 -10.180 1.00 0.58 H new ATOM 0 HG SER A 2 25.202 -0.617 -7.880 1.00 0.54 H new ATOM 21 N HIS A 3 28.272 -1.818 -11.703 1.00 0.18 N ATOM 22 CA HIS A 3 28.962 -1.494 -12.955 1.00 0.13 C ATOM 23 C HIS A 3 28.194 -0.436 -13.743 1.00 0.16 C ATOM 24 O HIS A 3 27.982 -0.570 -14.953 1.00 0.31 O ATOM 25 CB HIS A 3 29.154 -2.750 -13.812 1.00 0.26 C ATOM 26 CG HIS A 3 30.256 -3.642 -13.335 1.00 0.54 C ATOM 27 ND1 HIS A 3 31.584 -3.430 -13.645 1.00 1.06 N ATOM 28 CD2 HIS A 3 30.226 -4.757 -12.566 1.00 1.49 C ATOM 29 CE1 HIS A 3 32.320 -4.373 -13.088 1.00 1.02 C ATOM 30 NE2 HIS A 3 31.522 -5.191 -12.429 1.00 1.41 N ATOM 0 H HIS A 3 28.857 -1.728 -10.872 1.00 0.18 H new ATOM 0 HA HIS A 3 29.943 -1.092 -12.699 1.00 0.13 H new ATOM 0 HB2 HIS A 3 28.222 -3.315 -13.826 1.00 0.26 H new ATOM 0 HB3 HIS A 3 29.361 -2.450 -14.839 1.00 0.26 H new ATOM 0 HD2 HIS A 3 29.347 -5.218 -12.140 1.00 1.49 H new ATOM 0 HE1 HIS A 3 33.394 -4.460 -13.160 1.00 1.02 H new ATOM 0 HE2 HIS A 3 31.819 -6.013 -11.903 1.00 1.41 H new ATOM 39 N MET A 4 27.781 0.616 -13.048 1.00 0.20 N ATOM 40 CA MET A 4 27.017 1.693 -13.664 1.00 0.25 C ATOM 41 C MET A 4 27.446 3.042 -13.091 1.00 0.20 C ATOM 42 O MET A 4 27.541 3.204 -11.872 1.00 0.30 O ATOM 43 CB MET A 4 25.523 1.455 -13.421 1.00 0.37 C ATOM 44 CG MET A 4 24.594 2.342 -14.242 1.00 0.43 C ATOM 45 SD MET A 4 22.867 1.832 -14.093 1.00 0.28 S ATOM 46 CE MET A 4 22.048 3.054 -15.116 1.00 0.33 C ATOM 0 H MET A 4 27.963 0.746 -12.053 1.00 0.20 H new ATOM 0 HA MET A 4 27.207 1.705 -14.737 1.00 0.25 H new ATOM 0 HB2 MET A 4 25.295 0.412 -13.641 1.00 0.37 H new ATOM 0 HB3 MET A 4 25.312 1.612 -12.363 1.00 0.37 H new ATOM 0 HG2 MET A 4 24.696 3.376 -13.914 1.00 0.43 H new ATOM 0 HG3 MET A 4 24.893 2.309 -15.290 1.00 0.43 H new ATOM 0 HE1 MET A 4 21.098 2.654 -15.470 1.00 0.33 H new ATOM 0 HE2 MET A 4 21.867 3.956 -14.531 1.00 0.33 H new ATOM 0 HE3 MET A 4 22.680 3.296 -15.970 1.00 0.33 H new ATOM 56 N THR A 5 27.722 3.999 -13.968 1.00 0.32 N ATOM 57 CA THR A 5 28.131 5.327 -13.541 1.00 0.34 C ATOM 58 C THR A 5 26.937 6.100 -12.992 1.00 0.34 C ATOM 59 O THR A 5 27.041 6.783 -11.973 1.00 0.37 O ATOM 60 CB THR A 5 28.757 6.117 -14.705 1.00 0.36 C ATOM 61 OG1 THR A 5 29.553 5.243 -15.514 1.00 0.33 O ATOM 62 CG2 THR A 5 29.621 7.257 -14.187 1.00 0.54 C ATOM 0 H THR A 5 27.669 3.878 -14.979 1.00 0.32 H new ATOM 0 HA THR A 5 28.879 5.206 -12.757 1.00 0.34 H new ATOM 0 HB THR A 5 27.949 6.538 -15.304 1.00 0.36 H new ATOM 0 HG1 THR A 5 29.947 5.751 -16.254 1.00 0.33 H new ATOM 0 HG21 THR A 5 30.051 7.799 -15.029 1.00 0.54 H new ATOM 0 HG22 THR A 5 29.009 7.936 -13.593 1.00 0.54 H new ATOM 0 HG23 THR A 5 30.422 6.854 -13.567 1.00 0.54 H new ATOM 70 N GLU A 6 25.806 5.976 -13.670 1.00 0.35 N ATOM 71 CA GLU A 6 24.586 6.649 -13.254 1.00 0.39 C ATOM 72 C GLU A 6 24.024 5.992 -11.999 1.00 0.32 C ATOM 73 O GLU A 6 24.143 4.779 -11.819 1.00 0.30 O ATOM 74 CB GLU A 6 23.553 6.602 -14.382 1.00 0.52 C ATOM 75 CG GLU A 6 22.272 7.361 -14.079 1.00 0.53 C ATOM 76 CD GLU A 6 22.513 8.841 -13.874 1.00 1.16 C ATOM 77 OE1 GLU A 6 22.840 9.534 -14.858 1.00 1.64 O ATOM 78 OE2 GLU A 6 22.380 9.318 -12.728 1.00 1.31 O1- ATOM 0 H GLU A 6 25.708 5.413 -14.515 1.00 0.35 H new ATOM 0 HA GLU A 6 24.817 7.690 -13.029 1.00 0.39 H new ATOM 0 HB2 GLU A 6 24.000 7.012 -15.288 1.00 0.52 H new ATOM 0 HB3 GLU A 6 23.306 5.561 -14.591 1.00 0.52 H new ATOM 0 HG2 GLU A 6 21.567 7.221 -14.899 1.00 0.53 H new ATOM 0 HG3 GLU A 6 21.809 6.944 -13.185 1.00 0.53 H new ATOM 85 N GLN A 7 23.415 6.793 -11.139 1.00 0.30 N ATOM 86 CA GLN A 7 22.837 6.281 -9.910 1.00 0.25 C ATOM 87 C GLN A 7 21.314 6.316 -9.987 1.00 0.23 C ATOM 88 O GLN A 7 20.693 7.357 -9.759 1.00 0.29 O ATOM 89 CB GLN A 7 23.322 7.089 -8.705 1.00 0.29 C ATOM 90 CG GLN A 7 22.989 6.438 -7.374 1.00 0.42 C ATOM 91 CD GLN A 7 23.495 7.233 -6.188 1.00 1.19 C ATOM 92 OE1 GLN A 7 23.560 8.463 -6.228 1.00 1.46 O ATOM 93 NE2 GLN A 7 23.858 6.533 -5.126 1.00 1.77 N ATOM 0 H GLN A 7 23.309 7.799 -11.271 1.00 0.30 H new ATOM 0 HA GLN A 7 23.161 5.248 -9.785 1.00 0.25 H new ATOM 0 HB2 GLN A 7 24.401 7.223 -8.776 1.00 0.29 H new ATOM 0 HB3 GLN A 7 22.875 8.082 -8.738 1.00 0.29 H new ATOM 0 HG2 GLN A 7 21.908 6.321 -7.292 1.00 0.42 H new ATOM 0 HG3 GLN A 7 23.421 5.438 -7.346 1.00 0.42 H new ATOM 0 HE21 GLN A 7 23.787 5.516 -5.137 1.00 1.77 H new ATOM 0 HE22 GLN A 7 24.209 7.011 -4.296 1.00 1.77 H new ATOM 102 N PRO A 8 20.694 5.182 -10.332 1.00 0.18 N ATOM 103 CA PRO A 8 19.245 5.067 -10.438 1.00 0.17 C ATOM 104 C PRO A 8 18.604 4.775 -9.084 1.00 0.19 C ATOM 105 O PRO A 8 19.244 4.931 -8.040 1.00 0.25 O ATOM 106 CB PRO A 8 19.047 3.875 -11.396 1.00 0.18 C ATOM 107 CG PRO A 8 20.417 3.343 -11.698 1.00 0.20 C ATOM 108 CD PRO A 8 21.346 3.919 -10.668 1.00 0.18 C ATOM 0 HA PRO A 8 18.781 5.988 -10.790 1.00 0.17 H new ATOM 0 HB2 PRO A 8 18.424 3.107 -10.937 1.00 0.18 H new ATOM 0 HB3 PRO A 8 18.543 4.190 -12.309 1.00 0.18 H new ATOM 0 HG2 PRO A 8 20.425 2.254 -11.659 1.00 0.20 H new ATOM 0 HG3 PRO A 8 20.729 3.629 -12.702 1.00 0.20 H new ATOM 0 HD2 PRO A 8 21.444 3.268 -9.799 1.00 0.18 H new ATOM 0 HD3 PRO A 8 22.349 4.072 -11.066 1.00 0.18 H new ATOM 116 N LYS A 9 17.336 4.385 -9.103 1.00 0.17 N ATOM 117 CA LYS A 9 16.621 4.049 -7.879 1.00 0.20 C ATOM 118 C LYS A 9 17.323 2.890 -7.164 1.00 0.23 C ATOM 119 O LYS A 9 17.530 1.821 -7.744 1.00 0.30 O ATOM 120 CB LYS A 9 15.161 3.698 -8.198 1.00 0.14 C ATOM 121 CG LYS A 9 14.999 2.460 -9.077 1.00 0.33 C ATOM 122 CD LYS A 9 13.640 2.417 -9.761 1.00 0.76 C ATOM 123 CE LYS A 9 13.449 1.116 -10.530 1.00 1.45 C ATOM 124 NZ LYS A 9 12.224 1.140 -11.370 1.00 2.23 N1+ ATOM 0 H LYS A 9 16.781 4.294 -9.954 1.00 0.17 H new ATOM 0 HA LYS A 9 16.623 4.912 -7.214 1.00 0.20 H new ATOM 0 HB2 LYS A 9 14.623 3.540 -7.263 1.00 0.14 H new ATOM 0 HB3 LYS A 9 14.694 4.548 -8.695 1.00 0.14 H new ATOM 0 HG2 LYS A 9 15.785 2.447 -9.832 1.00 0.33 H new ATOM 0 HG3 LYS A 9 15.127 1.565 -8.468 1.00 0.33 H new ATOM 0 HD2 LYS A 9 12.852 2.520 -9.015 1.00 0.76 H new ATOM 0 HD3 LYS A 9 13.547 3.262 -10.443 1.00 0.76 H new ATOM 0 HE2 LYS A 9 14.319 0.938 -11.162 1.00 1.45 H new ATOM 0 HE3 LYS A 9 13.390 0.285 -9.827 1.00 1.45 H new ATOM 0 HZ1 LYS A 9 12.132 0.236 -11.876 1.00 2.23 H new ATOM 0 HZ2 LYS A 9 11.391 1.284 -10.765 1.00 2.23 H new ATOM 0 HZ3 LYS A 9 12.290 1.917 -12.058 1.00 2.23 H new ATOM 138 N THR A 10 17.717 3.114 -5.921 1.00 0.30 N ATOM 139 CA THR A 10 18.407 2.089 -5.157 1.00 0.36 C ATOM 140 C THR A 10 17.414 1.077 -4.587 1.00 0.30 C ATOM 141 O THR A 10 16.221 1.363 -4.443 1.00 0.27 O ATOM 142 CB THR A 10 19.258 2.708 -4.017 1.00 0.49 C ATOM 143 OG1 THR A 10 20.166 1.734 -3.489 1.00 0.62 O ATOM 144 CG2 THR A 10 18.383 3.249 -2.895 1.00 0.60 C ATOM 0 H THR A 10 17.572 3.992 -5.422 1.00 0.30 H new ATOM 0 HA THR A 10 19.082 1.571 -5.838 1.00 0.36 H new ATOM 0 HB THR A 10 19.820 3.539 -4.443 1.00 0.49 H new ATOM 0 HG1 THR A 10 20.698 2.138 -2.772 1.00 0.62 H new ATOM 0 HG21 THR A 10 19.014 3.675 -2.115 1.00 0.60 H new ATOM 0 HG22 THR A 10 17.722 4.021 -3.289 1.00 0.60 H new ATOM 0 HG23 THR A 10 17.785 2.439 -2.477 1.00 0.60 H new ATOM 152 N ARG A 11 17.909 -0.114 -4.287 1.00 0.30 N ATOM 153 CA ARG A 11 17.078 -1.172 -3.736 1.00 0.26 C ATOM 154 C ARG A 11 17.573 -1.562 -2.354 1.00 0.21 C ATOM 155 O ARG A 11 18.772 -1.496 -2.070 1.00 0.22 O ATOM 156 CB ARG A 11 17.071 -2.394 -4.655 1.00 0.32 C ATOM 157 CG ARG A 11 16.353 -2.156 -5.972 1.00 0.40 C ATOM 158 CD ARG A 11 16.431 -3.374 -6.875 1.00 0.55 C ATOM 159 NE ARG A 11 17.792 -3.622 -7.346 1.00 0.68 N ATOM 160 CZ ARG A 11 18.140 -4.663 -8.101 1.00 1.07 C ATOM 161 NH1 ARG A 11 17.244 -5.588 -8.425 1.00 1.36 N1+ ATOM 162 NH2 ARG A 11 19.395 -4.787 -8.514 1.00 1.17 N ATOM 0 H ARG A 11 18.887 -0.372 -4.417 1.00 0.30 H new ATOM 0 HA ARG A 11 16.058 -0.797 -3.656 1.00 0.26 H new ATOM 0 HB2 ARG A 11 18.100 -2.691 -4.859 1.00 0.32 H new ATOM 0 HB3 ARG A 11 16.596 -3.226 -4.136 1.00 0.32 H new ATOM 0 HG2 ARG A 11 15.309 -1.911 -5.779 1.00 0.40 H new ATOM 0 HG3 ARG A 11 16.794 -1.297 -6.478 1.00 0.40 H new ATOM 0 HD2 ARG A 11 16.070 -4.249 -6.335 1.00 0.55 H new ATOM 0 HD3 ARG A 11 15.771 -3.233 -7.731 1.00 0.55 H new ATOM 0 HE ARG A 11 18.519 -2.958 -7.081 1.00 0.68 H new ATOM 0 HH11 ARG A 11 16.282 -5.504 -8.095 1.00 1.36 H new ATOM 0 HH12 ARG A 11 17.517 -6.382 -9.003 1.00 1.36 H new ATOM 0 HH21 ARG A 11 20.089 -4.087 -8.253 1.00 1.17 H new ATOM 0 HH22 ARG A 11 19.665 -5.583 -9.092 1.00 1.17 H new ATOM 176 N VAL A 12 16.651 -1.975 -1.502 1.00 0.16 N ATOM 177 CA VAL A 12 16.983 -2.368 -0.145 1.00 0.12 C ATOM 178 C VAL A 12 16.397 -3.740 0.181 1.00 0.14 C ATOM 179 O VAL A 12 15.351 -4.123 -0.351 1.00 0.18 O ATOM 180 CB VAL A 12 16.471 -1.313 0.867 1.00 0.09 C ATOM 181 CG1 VAL A 12 14.949 -1.263 0.889 1.00 0.08 C ATOM 182 CG2 VAL A 12 17.026 -1.571 2.262 1.00 0.12 C ATOM 0 H VAL A 12 15.659 -2.047 -1.729 1.00 0.16 H new ATOM 0 HA VAL A 12 18.068 -2.430 -0.066 1.00 0.12 H new ATOM 0 HB VAL A 12 16.834 -0.339 0.537 1.00 0.09 H new ATOM 0 HG11 VAL A 12 14.620 -0.513 1.609 1.00 0.08 H new ATOM 0 HG12 VAL A 12 14.579 -1.001 -0.102 1.00 0.08 H new ATOM 0 HG13 VAL A 12 14.557 -2.239 1.176 1.00 0.08 H new ATOM 0 HG21 VAL A 12 16.649 -0.814 2.949 1.00 0.12 H new ATOM 0 HG22 VAL A 12 16.712 -2.558 2.601 1.00 0.12 H new ATOM 0 HG23 VAL A 12 18.115 -1.526 2.235 1.00 0.12 H new ATOM 192 N SER A 13 17.091 -4.490 1.023 1.00 0.14 N ATOM 193 CA SER A 13 16.629 -5.804 1.431 1.00 0.17 C ATOM 194 C SER A 13 16.051 -5.735 2.843 1.00 0.12 C ATOM 195 O SER A 13 16.779 -5.491 3.809 1.00 0.15 O ATOM 196 CB SER A 13 17.783 -6.804 1.372 1.00 0.25 C ATOM 197 OG SER A 13 18.466 -6.712 0.131 1.00 0.56 O ATOM 0 H SER A 13 17.979 -4.208 1.437 1.00 0.14 H new ATOM 0 HA SER A 13 15.846 -6.138 0.750 1.00 0.17 H new ATOM 0 HB2 SER A 13 18.478 -6.613 2.190 1.00 0.25 H new ATOM 0 HB3 SER A 13 17.401 -7.816 1.508 1.00 0.25 H new ATOM 0 HG SER A 13 19.202 -7.359 0.114 1.00 0.56 H new ATOM 203 N VAL A 14 14.744 -5.926 2.962 1.00 0.06 N ATOM 204 CA VAL A 14 14.085 -5.871 4.262 1.00 0.08 C ATOM 205 C VAL A 14 13.449 -7.205 4.603 1.00 0.08 C ATOM 206 O VAL A 14 13.218 -8.032 3.720 1.00 0.12 O ATOM 207 CB VAL A 14 13.003 -4.774 4.321 1.00 0.09 C ATOM 208 CG1 VAL A 14 13.627 -3.393 4.246 1.00 0.10 C ATOM 209 CG2 VAL A 14 11.974 -4.959 3.214 1.00 0.09 C ATOM 0 H VAL A 14 14.120 -6.120 2.178 1.00 0.06 H new ATOM 0 HA VAL A 14 14.860 -5.633 4.990 1.00 0.08 H new ATOM 0 HB VAL A 14 12.489 -4.865 5.278 1.00 0.09 H new ATOM 0 HG11 VAL A 14 12.843 -2.637 4.289 1.00 0.10 H new ATOM 0 HG12 VAL A 14 14.310 -3.256 5.084 1.00 0.10 H new ATOM 0 HG13 VAL A 14 14.177 -3.292 3.310 1.00 0.10 H new ATOM 0 HG21 VAL A 14 11.223 -4.172 3.280 1.00 0.09 H new ATOM 0 HG22 VAL A 14 12.469 -4.908 2.244 1.00 0.09 H new ATOM 0 HG23 VAL A 14 11.492 -5.930 3.324 1.00 0.09 H new ATOM 219 N ARG A 15 13.166 -7.411 5.879 1.00 0.05 N ATOM 220 CA ARG A 15 12.563 -8.651 6.337 1.00 0.05 C ATOM 221 C ARG A 15 11.115 -8.432 6.771 1.00 0.04 C ATOM 222 O ARG A 15 10.832 -7.576 7.608 1.00 0.07 O ATOM 223 CB ARG A 15 13.381 -9.235 7.492 1.00 0.06 C ATOM 224 CG ARG A 15 12.944 -10.632 7.903 1.00 0.06 C ATOM 225 CD ARG A 15 14.028 -11.350 8.686 1.00 0.11 C ATOM 226 NE ARG A 15 15.301 -11.379 7.962 1.00 0.16 N ATOM 227 CZ ARG A 15 15.728 -12.402 7.221 1.00 0.20 C ATOM 228 NH1 ARG A 15 14.983 -13.492 7.079 1.00 0.20 N1+ ATOM 229 NH2 ARG A 15 16.905 -12.330 6.613 1.00 0.26 N ATOM 0 H ARG A 15 13.345 -6.732 6.619 1.00 0.05 H new ATOM 0 HA ARG A 15 12.562 -9.357 5.507 1.00 0.05 H new ATOM 0 HB2 ARG A 15 14.432 -9.262 7.204 1.00 0.06 H new ATOM 0 HB3 ARG A 15 13.303 -8.571 8.353 1.00 0.06 H new ATOM 0 HG2 ARG A 15 12.040 -10.567 8.508 1.00 0.06 H new ATOM 0 HG3 ARG A 15 12.692 -11.211 7.014 1.00 0.06 H new ATOM 0 HD2 ARG A 15 14.169 -10.855 9.647 1.00 0.11 H new ATOM 0 HD3 ARG A 15 13.708 -12.370 8.897 1.00 0.11 H new ATOM 0 HE ARG A 15 15.903 -10.559 8.029 1.00 0.16 H new ATOM 0 HH11 ARG A 15 14.075 -13.552 7.539 1.00 0.20 H new ATOM 0 HH12 ARG A 15 15.319 -14.269 6.510 1.00 0.20 H new ATOM 0 HH21 ARG A 15 17.480 -11.494 6.713 1.00 0.26 H new ATOM 0 HH22 ARG A 15 17.234 -13.111 6.045 1.00 0.26 H new ATOM 243 N ILE A 16 10.204 -9.200 6.185 1.00 0.03 N ATOM 244 CA ILE A 16 8.787 -9.106 6.515 1.00 0.04 C ATOM 245 C ILE A 16 8.215 -10.500 6.752 1.00 0.04 C ATOM 246 O ILE A 16 8.420 -11.403 5.937 1.00 0.04 O ATOM 247 CB ILE A 16 7.973 -8.416 5.394 1.00 0.05 C ATOM 248 CG1 ILE A 16 8.742 -7.228 4.816 1.00 0.08 C ATOM 249 CG2 ILE A 16 6.617 -7.969 5.920 1.00 0.06 C ATOM 250 CD1 ILE A 16 8.299 -6.835 3.428 1.00 0.07 C ATOM 0 H ILE A 16 10.423 -9.899 5.475 1.00 0.03 H new ATOM 0 HA ILE A 16 8.706 -8.501 7.418 1.00 0.04 H new ATOM 0 HB ILE A 16 7.814 -9.139 4.594 1.00 0.05 H new ATOM 0 HG12 ILE A 16 8.624 -6.372 5.481 1.00 0.08 H new ATOM 0 HG13 ILE A 16 9.804 -7.471 4.793 1.00 0.08 H new ATOM 0 HG21 ILE A 16 6.057 -7.486 5.119 1.00 0.06 H new ATOM 0 HG22 ILE A 16 6.062 -8.836 6.279 1.00 0.06 H new ATOM 0 HG23 ILE A 16 6.759 -7.265 6.740 1.00 0.06 H new ATOM 0 HD11 ILE A 16 8.889 -5.986 3.084 1.00 0.07 H new ATOM 0 HD12 ILE A 16 8.443 -7.675 2.749 1.00 0.07 H new ATOM 0 HD13 ILE A 16 7.244 -6.560 3.447 1.00 0.07 H new ATOM 262 N TYR A 17 7.532 -10.671 7.880 1.00 0.08 N ATOM 263 CA TYR A 17 6.917 -11.945 8.252 1.00 0.11 C ATOM 264 C TYR A 17 7.959 -13.059 8.399 1.00 0.19 C ATOM 265 O TYR A 17 7.625 -14.245 8.357 1.00 0.56 O ATOM 266 CB TYR A 17 5.845 -12.345 7.233 1.00 0.04 C ATOM 267 CG TYR A 17 4.594 -12.934 7.860 1.00 0.09 C ATOM 268 CD1 TYR A 17 3.920 -12.267 8.877 1.00 0.08 C ATOM 269 CD2 TYR A 17 4.085 -14.155 7.432 1.00 0.18 C ATOM 270 CE1 TYR A 17 2.775 -12.796 9.449 1.00 0.12 C ATOM 271 CE2 TYR A 17 2.941 -14.690 7.997 1.00 0.23 C ATOM 272 CZ TYR A 17 2.289 -14.007 9.005 1.00 0.20 C ATOM 273 OH TYR A 17 1.150 -14.543 9.572 1.00 0.25 O ATOM 0 H TYR A 17 7.388 -9.929 8.565 1.00 0.08 H new ATOM 0 HA TYR A 17 6.444 -11.807 9.224 1.00 0.11 H new ATOM 0 HB2 TYR A 17 5.568 -11.468 6.647 1.00 0.04 H new ATOM 0 HB3 TYR A 17 6.269 -13.071 6.539 1.00 0.04 H new ATOM 0 HD1 TYR A 17 4.297 -11.318 9.228 1.00 0.08 H new ATOM 0 HD2 TYR A 17 4.591 -14.695 6.645 1.00 0.18 H new ATOM 0 HE1 TYR A 17 2.266 -12.263 10.238 1.00 0.12 H new ATOM 0 HE2 TYR A 17 2.559 -15.639 7.651 1.00 0.23 H new ATOM 0 HH TYR A 17 0.501 -13.828 9.739 1.00 0.25 H new ATOM 283 N GLY A 18 9.219 -12.673 8.573 1.00 0.18 N ATOM 284 CA GLY A 18 10.277 -13.651 8.752 1.00 0.13 C ATOM 285 C GLY A 18 11.235 -13.765 7.578 1.00 0.05 C ATOM 286 O GLY A 18 12.415 -14.056 7.769 1.00 0.11 O ATOM 0 H GLY A 18 9.526 -11.701 8.593 1.00 0.18 H new ATOM 0 HA2 GLY A 18 10.846 -13.393 9.645 1.00 0.13 H new ATOM 0 HA3 GLY A 18 9.826 -14.627 8.933 1.00 0.13 H new ATOM 290 N GLN A 19 10.753 -13.520 6.368 1.00 0.05 N ATOM 291 CA GLN A 19 11.600 -13.646 5.182 1.00 0.10 C ATOM 292 C GLN A 19 12.096 -12.289 4.700 1.00 0.05 C ATOM 293 O GLN A 19 11.513 -11.257 5.017 1.00 0.08 O ATOM 294 CB GLN A 19 10.844 -14.351 4.055 1.00 0.19 C ATOM 295 CG GLN A 19 10.265 -15.697 4.451 1.00 0.14 C ATOM 296 CD GLN A 19 11.302 -16.638 5.034 1.00 0.49 C ATOM 297 OE1 GLN A 19 12.475 -16.614 4.647 1.00 0.68 O ATOM 298 NE2 GLN A 19 10.875 -17.477 5.961 1.00 0.67 N ATOM 0 H GLN A 19 9.792 -13.236 6.178 1.00 0.05 H new ATOM 0 HA GLN A 19 12.467 -14.244 5.463 1.00 0.10 H new ATOM 0 HB2 GLN A 19 10.035 -13.705 3.714 1.00 0.19 H new ATOM 0 HB3 GLN A 19 11.518 -14.491 3.210 1.00 0.19 H new ATOM 0 HG2 GLN A 19 9.470 -15.544 5.181 1.00 0.14 H new ATOM 0 HG3 GLN A 19 9.810 -16.163 3.577 1.00 0.14 H new ATOM 0 HE21 GLN A 19 9.897 -17.462 6.251 1.00 0.67 H new ATOM 0 HE22 GLN A 19 11.523 -18.139 6.387 1.00 0.67 H new ATOM 307 N ASP A 20 13.174 -12.304 3.930 1.00 0.12 N ATOM 308 CA ASP A 20 13.754 -11.077 3.394 1.00 0.10 C ATOM 309 C ASP A 20 13.383 -10.899 1.926 1.00 0.09 C ATOM 310 O ASP A 20 13.320 -11.870 1.169 1.00 0.10 O ATOM 311 CB ASP A 20 15.279 -11.071 3.561 1.00 0.17 C ATOM 312 CG ASP A 20 15.987 -12.038 2.632 1.00 0.39 C ATOM 313 OD1 ASP A 20 16.034 -13.246 2.946 1.00 0.49 O1- ATOM 314 OD2 ASP A 20 16.514 -11.598 1.595 1.00 0.55 O ATOM 0 H ASP A 20 13.668 -13.155 3.660 1.00 0.12 H new ATOM 0 HA ASP A 20 13.344 -10.240 3.959 1.00 0.10 H new ATOM 0 HB2 ASP A 20 15.654 -10.064 3.380 1.00 0.17 H new ATOM 0 HB3 ASP A 20 15.526 -11.322 4.593 1.00 0.17 H new ATOM 319 N TYR A 21 13.120 -9.659 1.540 1.00 0.07 N ATOM 320 CA TYR A 21 12.745 -9.341 0.165 1.00 0.07 C ATOM 321 C TYR A 21 13.546 -8.150 -0.350 1.00 0.07 C ATOM 322 O TYR A 21 13.923 -7.267 0.421 1.00 0.16 O ATOM 323 CB TYR A 21 11.245 -9.028 0.081 1.00 0.05 C ATOM 324 CG TYR A 21 10.377 -10.046 0.787 1.00 0.07 C ATOM 325 CD1 TYR A 21 10.068 -9.903 2.134 1.00 0.15 C ATOM 326 CD2 TYR A 21 9.881 -11.153 0.114 1.00 0.05 C ATOM 327 CE1 TYR A 21 9.289 -10.834 2.788 1.00 0.17 C ATOM 328 CE2 TYR A 21 9.102 -12.091 0.764 1.00 0.08 C ATOM 329 CZ TYR A 21 8.810 -11.927 2.102 1.00 0.12 C ATOM 330 OH TYR A 21 8.041 -12.863 2.758 1.00 0.15 O ATOM 0 H TYR A 21 13.159 -8.851 2.161 1.00 0.07 H new ATOM 0 HA TYR A 21 12.966 -10.209 -0.456 1.00 0.07 H new ATOM 0 HB2 TYR A 21 11.062 -8.044 0.513 1.00 0.05 H new ATOM 0 HB3 TYR A 21 10.951 -8.976 -0.967 1.00 0.05 H new ATOM 0 HD1 TYR A 21 10.444 -9.049 2.678 1.00 0.15 H new ATOM 0 HD2 TYR A 21 10.107 -11.284 -0.934 1.00 0.05 H new ATOM 0 HE1 TYR A 21 9.056 -10.706 3.835 1.00 0.17 H new ATOM 0 HE2 TYR A 21 8.724 -12.948 0.227 1.00 0.08 H new ATOM 0 HH TYR A 21 7.543 -12.428 3.481 1.00 0.15 H new ATOM 340 N THR A 22 13.820 -8.141 -1.649 1.00 0.19 N ATOM 341 CA THR A 22 14.562 -7.052 -2.267 1.00 0.20 C ATOM 342 C THR A 22 13.591 -6.086 -2.932 1.00 0.21 C ATOM 343 O THR A 22 13.061 -6.369 -4.007 1.00 0.38 O ATOM 344 CB THR A 22 15.555 -7.572 -3.321 1.00 0.25 C ATOM 345 OG1 THR A 22 16.095 -8.835 -2.902 1.00 0.19 O ATOM 346 CG2 THR A 22 16.687 -6.572 -3.538 1.00 0.32 C ATOM 0 H THR A 22 13.538 -8.878 -2.295 1.00 0.19 H new ATOM 0 HA THR A 22 15.126 -6.545 -1.484 1.00 0.20 H new ATOM 0 HB THR A 22 15.022 -7.700 -4.263 1.00 0.25 H new ATOM 0 HG1 THR A 22 16.725 -9.162 -3.578 1.00 0.19 H new ATOM 0 HG21 THR A 22 17.377 -6.960 -4.287 1.00 0.32 H new ATOM 0 HG22 THR A 22 16.274 -5.624 -3.882 1.00 0.32 H new ATOM 0 HG23 THR A 22 17.220 -6.416 -2.600 1.00 0.32 H new ATOM 354 N ILE A 23 13.359 -4.955 -2.289 1.00 0.16 N ATOM 355 CA ILE A 23 12.431 -3.961 -2.809 1.00 0.16 C ATOM 356 C ILE A 23 13.146 -2.671 -3.176 1.00 0.15 C ATOM 357 O ILE A 23 14.297 -2.457 -2.804 1.00 0.13 O ATOM 358 CB ILE A 23 11.314 -3.640 -1.790 1.00 0.17 C ATOM 359 CG1 ILE A 23 11.914 -3.099 -0.484 1.00 0.05 C ATOM 360 CG2 ILE A 23 10.475 -4.882 -1.526 1.00 0.31 C ATOM 361 CD1 ILE A 23 10.889 -2.562 0.491 1.00 0.06 C ATOM 0 H ILE A 23 13.800 -4.700 -1.405 1.00 0.16 H new ATOM 0 HA ILE A 23 11.986 -4.393 -3.705 1.00 0.16 H new ATOM 0 HB ILE A 23 10.668 -2.868 -2.209 1.00 0.17 H new ATOM 0 HG12 ILE A 23 12.479 -3.895 0.001 1.00 0.05 H new ATOM 0 HG13 ILE A 23 12.622 -2.306 -0.723 1.00 0.05 H new ATOM 0 HG21 ILE A 23 9.691 -4.645 -0.807 1.00 0.31 H new ATOM 0 HG22 ILE A 23 10.022 -5.220 -2.458 1.00 0.31 H new ATOM 0 HG23 ILE A 23 11.110 -5.671 -1.124 1.00 0.31 H new ATOM 0 HD11 ILE A 23 11.394 -2.199 1.387 1.00 0.06 H new ATOM 0 HD12 ILE A 23 10.340 -1.743 0.027 1.00 0.06 H new ATOM 0 HD13 ILE A 23 10.194 -3.357 0.763 1.00 0.06 H new ATOM 373 N VAL A 24 12.452 -1.814 -3.909 1.00 0.16 N ATOM 374 CA VAL A 24 13.010 -0.538 -4.324 1.00 0.15 C ATOM 375 C VAL A 24 12.818 0.493 -3.217 1.00 0.15 C ATOM 376 O VAL A 24 11.727 0.611 -2.655 1.00 0.15 O ATOM 377 CB VAL A 24 12.349 -0.031 -5.627 1.00 0.17 C ATOM 378 CG1 VAL A 24 13.018 1.244 -6.114 1.00 0.17 C ATOM 379 CG2 VAL A 24 12.399 -1.100 -6.710 1.00 0.18 C ATOM 0 H VAL A 24 11.498 -1.981 -4.229 1.00 0.16 H new ATOM 0 HA VAL A 24 14.073 -0.681 -4.516 1.00 0.15 H new ATOM 0 HB VAL A 24 11.305 0.191 -5.408 1.00 0.17 H new ATOM 0 HG11 VAL A 24 12.535 1.581 -7.032 1.00 0.17 H new ATOM 0 HG12 VAL A 24 12.926 2.017 -5.351 1.00 0.17 H new ATOM 0 HG13 VAL A 24 14.073 1.050 -6.309 1.00 0.17 H new ATOM 0 HG21 VAL A 24 11.928 -0.721 -7.617 1.00 0.18 H new ATOM 0 HG22 VAL A 24 13.437 -1.357 -6.920 1.00 0.18 H new ATOM 0 HG23 VAL A 24 11.867 -1.988 -6.369 1.00 0.18 H new ATOM 389 N GLY A 25 13.874 1.224 -2.894 1.00 0.14 N ATOM 390 CA GLY A 25 13.787 2.219 -1.850 1.00 0.13 C ATOM 391 C GLY A 25 14.378 3.547 -2.262 1.00 0.11 C ATOM 392 O GLY A 25 15.375 3.990 -1.692 1.00 0.08 O ATOM 0 H GLY A 25 14.789 1.145 -3.337 1.00 0.14 H new ATOM 0 HA2 GLY A 25 12.742 2.361 -1.574 1.00 0.13 H new ATOM 0 HA3 GLY A 25 14.304 1.855 -0.962 1.00 0.13 H new ATOM 396 N ALA A 26 13.764 4.192 -3.246 1.00 0.15 N ATOM 397 CA ALA A 26 14.234 5.488 -3.723 1.00 0.17 C ATOM 398 C ALA A 26 13.777 6.602 -2.785 1.00 0.12 C ATOM 399 O ALA A 26 13.012 7.486 -3.171 1.00 0.19 O ATOM 400 CB ALA A 26 13.743 5.740 -5.140 1.00 0.27 C ATOM 0 H ALA A 26 12.939 3.839 -3.730 1.00 0.15 H new ATOM 0 HA ALA A 26 15.324 5.480 -3.734 1.00 0.17 H new ATOM 0 HB1 ALA A 26 14.102 6.711 -5.482 1.00 0.27 H new ATOM 0 HB2 ALA A 26 14.122 4.960 -5.800 1.00 0.27 H new ATOM 0 HB3 ALA A 26 12.653 5.730 -5.155 1.00 0.27 H new ATOM 406 N GLU A 27 14.252 6.540 -1.551 1.00 0.11 N ATOM 407 CA GLU A 27 13.901 7.512 -0.531 1.00 0.05 C ATOM 408 C GLU A 27 14.970 7.513 0.560 1.00 0.10 C ATOM 409 O GLU A 27 16.115 7.120 0.313 1.00 0.20 O ATOM 410 CB GLU A 27 12.529 7.168 0.060 1.00 0.11 C ATOM 411 CG GLU A 27 11.708 8.378 0.463 1.00 0.78 C ATOM 412 CD GLU A 27 10.432 7.982 1.169 1.00 1.22 C ATOM 413 OE1 GLU A 27 10.262 6.777 1.464 1.00 1.58 O1- ATOM 414 OE2 GLU A 27 9.602 8.864 1.445 1.00 1.46 O ATOM 0 H GLU A 27 14.892 5.814 -1.230 1.00 0.11 H new ATOM 0 HA GLU A 27 13.849 8.507 -0.974 1.00 0.05 H new ATOM 0 HB2 GLU A 27 11.966 6.587 -0.670 1.00 0.11 H new ATOM 0 HB3 GLU A 27 12.671 6.531 0.933 1.00 0.11 H new ATOM 0 HG2 GLU A 27 12.301 9.018 1.116 1.00 0.78 H new ATOM 0 HG3 GLU A 27 11.466 8.964 -0.423 1.00 0.78 H new ATOM 421 N SER A 28 14.603 7.960 1.752 1.00 0.11 N ATOM 422 CA SER A 28 15.520 7.997 2.876 1.00 0.17 C ATOM 423 C SER A 28 15.724 6.591 3.441 1.00 0.18 C ATOM 424 O SER A 28 14.761 5.833 3.605 1.00 0.15 O ATOM 425 CB SER A 28 14.973 8.937 3.952 1.00 0.18 C ATOM 426 OG SER A 28 13.653 9.353 3.634 1.00 0.26 O ATOM 0 H SER A 28 13.667 8.305 1.964 1.00 0.11 H new ATOM 0 HA SER A 28 16.487 8.371 2.539 1.00 0.17 H new ATOM 0 HB2 SER A 28 14.977 8.433 4.918 1.00 0.18 H new ATOM 0 HB3 SER A 28 15.622 9.808 4.044 1.00 0.18 H new ATOM 0 HG SER A 28 13.682 9.996 2.895 1.00 0.26 H new ATOM 432 N PRO A 29 16.982 6.220 3.740 1.00 0.23 N ATOM 433 CA PRO A 29 17.327 4.897 4.277 1.00 0.26 C ATOM 434 C PRO A 29 16.530 4.530 5.531 1.00 0.28 C ATOM 435 O PRO A 29 16.117 3.382 5.697 1.00 0.34 O ATOM 436 CB PRO A 29 18.825 5.001 4.594 1.00 0.31 C ATOM 437 CG PRO A 29 19.153 6.456 4.530 1.00 0.31 C ATOM 438 CD PRO A 29 18.177 7.059 3.563 1.00 0.25 C ATOM 0 HA PRO A 29 17.089 4.109 3.563 1.00 0.26 H new ATOM 0 HB2 PRO A 29 19.045 4.593 5.581 1.00 0.31 H new ATOM 0 HB3 PRO A 29 19.417 4.434 3.875 1.00 0.31 H new ATOM 0 HG2 PRO A 29 19.065 6.919 5.513 1.00 0.31 H new ATOM 0 HG3 PRO A 29 20.179 6.610 4.196 1.00 0.31 H new ATOM 0 HD2 PRO A 29 17.974 8.105 3.792 1.00 0.25 H new ATOM 0 HD3 PRO A 29 18.548 7.023 2.539 1.00 0.25 H new ATOM 446 N ALA A 30 16.297 5.505 6.405 1.00 0.27 N ATOM 447 CA ALA A 30 15.548 5.256 7.632 1.00 0.30 C ATOM 448 C ALA A 30 14.056 5.117 7.348 1.00 0.18 C ATOM 449 O ALA A 30 13.341 4.409 8.055 1.00 0.15 O ATOM 450 CB ALA A 30 15.793 6.369 8.642 1.00 0.41 C ATOM 0 H ALA A 30 16.613 6.468 6.288 1.00 0.27 H new ATOM 0 HA ALA A 30 15.901 4.315 8.055 1.00 0.30 H new ATOM 0 HB1 ALA A 30 15.226 6.167 9.551 1.00 0.41 H new ATOM 0 HB2 ALA A 30 16.856 6.417 8.880 1.00 0.41 H new ATOM 0 HB3 ALA A 30 15.473 7.321 8.219 1.00 0.41 H new ATOM 456 N HIS A 31 13.599 5.776 6.290 1.00 0.13 N ATOM 457 CA HIS A 31 12.192 5.738 5.913 1.00 0.10 C ATOM 458 C HIS A 31 11.833 4.374 5.335 1.00 0.09 C ATOM 459 O HIS A 31 10.850 3.760 5.737 1.00 0.19 O ATOM 460 CB HIS A 31 11.883 6.838 4.895 1.00 0.21 C ATOM 461 CG HIS A 31 10.492 7.384 4.994 1.00 0.05 C ATOM 462 ND1 HIS A 31 9.599 7.359 3.953 1.00 0.28 N ATOM 463 CD2 HIS A 31 9.854 7.998 6.015 1.00 0.12 C ATOM 464 CE1 HIS A 31 8.476 7.935 4.322 1.00 0.41 C ATOM 465 NE2 HIS A 31 8.599 8.339 5.573 1.00 0.32 N ATOM 0 H HIS A 31 14.184 6.344 5.677 1.00 0.13 H new ATOM 0 HA HIS A 31 11.591 5.909 6.806 1.00 0.10 H new ATOM 0 HB2 HIS A 31 12.593 7.654 5.030 1.00 0.21 H new ATOM 0 HB3 HIS A 31 12.037 6.444 3.891 1.00 0.21 H new ATOM 0 HD1 HIS A 31 9.779 6.955 3.034 1.00 0.28 H new ATOM 0 HD2 HIS A 31 10.257 8.186 6.999 1.00 0.12 H new ATOM 0 HE1 HIS A 31 7.599 8.057 3.704 1.00 0.41 H new ATOM 474 N ILE A 32 12.656 3.899 4.410 1.00 0.08 N ATOM 475 CA ILE A 32 12.437 2.604 3.764 1.00 0.20 C ATOM 476 C ILE A 32 12.640 1.438 4.736 1.00 0.27 C ATOM 477 O ILE A 32 12.268 0.302 4.444 1.00 0.36 O ATOM 478 CB ILE A 32 13.348 2.421 2.523 1.00 0.23 C ATOM 479 CG1 ILE A 32 14.833 2.412 2.930 1.00 0.25 C ATOM 480 CG2 ILE A 32 13.068 3.521 1.506 1.00 0.18 C ATOM 481 CD1 ILE A 32 15.787 2.094 1.796 1.00 0.30 C ATOM 0 H ILE A 32 13.488 4.392 4.086 1.00 0.08 H new ATOM 0 HA ILE A 32 11.398 2.598 3.435 1.00 0.20 H new ATOM 0 HB ILE A 32 13.125 1.458 2.064 1.00 0.23 H new ATOM 0 HG12 ILE A 32 15.091 3.387 3.344 1.00 0.25 H new ATOM 0 HG13 ILE A 32 14.976 1.681 3.725 1.00 0.25 H new ATOM 0 HG21 ILE A 32 13.712 3.386 0.637 1.00 0.18 H new ATOM 0 HG22 ILE A 32 12.024 3.472 1.195 1.00 0.18 H new ATOM 0 HG23 ILE A 32 13.267 4.493 1.957 1.00 0.18 H new ATOM 0 HD11 ILE A 32 16.812 2.108 2.168 1.00 0.30 H new ATOM 0 HD12 ILE A 32 15.560 1.106 1.396 1.00 0.30 H new ATOM 0 HD13 ILE A 32 15.677 2.839 1.008 1.00 0.30 H new ATOM 493 N ARG A 33 13.211 1.725 5.895 1.00 0.25 N ATOM 494 CA ARG A 33 13.437 0.698 6.900 1.00 0.32 C ATOM 495 C ARG A 33 12.173 0.451 7.715 1.00 0.34 C ATOM 496 O ARG A 33 11.875 -0.684 8.093 1.00 0.57 O ATOM 497 CB ARG A 33 14.583 1.098 7.826 1.00 0.34 C ATOM 498 CG ARG A 33 15.947 0.615 7.354 1.00 0.38 C ATOM 499 CD ARG A 33 17.071 1.230 8.172 1.00 0.37 C ATOM 500 NE ARG A 33 16.709 1.363 9.583 1.00 0.36 N ATOM 501 CZ ARG A 33 17.230 2.269 10.407 1.00 0.68 C ATOM 502 NH1 ARG A 33 18.195 3.078 9.986 1.00 1.01 N1+ ATOM 503 NH2 ARG A 33 16.793 2.359 11.656 1.00 0.84 N ATOM 0 H ARG A 33 13.526 2.658 6.163 1.00 0.25 H new ATOM 0 HA ARG A 33 13.705 -0.224 6.385 1.00 0.32 H new ATOM 0 HB2 ARG A 33 14.603 2.184 7.917 1.00 0.34 H new ATOM 0 HB3 ARG A 33 14.390 0.699 8.822 1.00 0.34 H new ATOM 0 HG2 ARG A 33 15.995 -0.471 7.428 1.00 0.38 H new ATOM 0 HG3 ARG A 33 16.080 0.869 6.302 1.00 0.38 H new ATOM 0 HD2 ARG A 33 17.965 0.612 8.083 1.00 0.37 H new ATOM 0 HD3 ARG A 33 17.320 2.211 7.767 1.00 0.37 H new ATOM 0 HE ARG A 33 16.012 0.720 9.960 1.00 0.36 H new ATOM 0 HH11 ARG A 33 18.539 3.006 9.029 1.00 1.01 H new ATOM 0 HH12 ARG A 33 18.592 3.771 10.620 1.00 1.01 H new ATOM 0 HH21 ARG A 33 16.057 1.734 11.985 1.00 0.84 H new ATOM 0 HH22 ARG A 33 17.193 3.053 12.287 1.00 0.84 H new ATOM 517 N LEU A 34 11.414 1.515 7.968 1.00 0.14 N ATOM 518 CA LEU A 34 10.186 1.403 8.749 1.00 0.15 C ATOM 519 C LEU A 34 9.029 0.902 7.889 1.00 0.16 C ATOM 520 O LEU A 34 8.002 0.471 8.415 1.00 0.17 O ATOM 521 CB LEU A 34 9.827 2.740 9.420 1.00 0.13 C ATOM 522 CG LEU A 34 9.524 3.913 8.482 1.00 0.07 C ATOM 523 CD1 LEU A 34 8.028 4.045 8.239 1.00 0.12 C ATOM 524 CD2 LEU A 34 10.079 5.207 9.059 1.00 0.04 C ATOM 0 H LEU A 34 11.627 2.459 7.645 1.00 0.14 H new ATOM 0 HA LEU A 34 10.364 0.670 9.536 1.00 0.15 H new ATOM 0 HB2 LEU A 34 8.958 2.580 10.058 1.00 0.13 H new ATOM 0 HB3 LEU A 34 10.652 3.028 10.071 1.00 0.13 H new ATOM 0 HG LEU A 34 10.008 3.716 7.526 1.00 0.07 H new ATOM 0 HD11 LEU A 34 7.841 4.885 7.570 1.00 0.12 H new ATOM 0 HD12 LEU A 34 7.651 3.129 7.785 1.00 0.12 H new ATOM 0 HD13 LEU A 34 7.519 4.216 9.188 1.00 0.12 H new ATOM 0 HD21 LEU A 34 9.857 6.032 8.382 1.00 0.04 H new ATOM 0 HD22 LEU A 34 9.620 5.399 10.029 1.00 0.04 H new ATOM 0 HD23 LEU A 34 11.159 5.118 9.180 1.00 0.04 H new ATOM 536 N VAL A 35 9.204 0.955 6.567 1.00 0.16 N ATOM 537 CA VAL A 35 8.177 0.493 5.636 1.00 0.16 C ATOM 538 C VAL A 35 7.811 -0.956 5.925 1.00 0.13 C ATOM 539 O VAL A 35 6.635 -1.303 6.046 1.00 0.12 O ATOM 540 CB VAL A 35 8.649 0.593 4.166 1.00 0.20 C ATOM 541 CG1 VAL A 35 7.570 0.093 3.218 1.00 0.18 C ATOM 542 CG2 VAL A 35 9.044 2.016 3.812 1.00 0.25 C ATOM 0 H VAL A 35 10.047 1.313 6.119 1.00 0.16 H new ATOM 0 HA VAL A 35 7.310 1.138 5.775 1.00 0.16 H new ATOM 0 HB VAL A 35 9.529 -0.041 4.057 1.00 0.20 H new ATOM 0 HG11 VAL A 35 7.924 0.173 2.190 1.00 0.18 H new ATOM 0 HG12 VAL A 35 7.342 -0.949 3.444 1.00 0.18 H new ATOM 0 HG13 VAL A 35 6.670 0.696 3.340 1.00 0.18 H new ATOM 0 HG21 VAL A 35 9.371 2.055 2.773 1.00 0.25 H new ATOM 0 HG22 VAL A 35 8.187 2.676 3.948 1.00 0.25 H new ATOM 0 HG23 VAL A 35 9.858 2.340 4.461 1.00 0.25 H new ATOM 552 N ALA A 36 8.840 -1.784 6.050 1.00 0.14 N ATOM 553 CA ALA A 36 8.664 -3.204 6.326 1.00 0.15 C ATOM 554 C ALA A 36 7.881 -3.433 7.614 1.00 0.12 C ATOM 555 O ALA A 36 6.947 -4.232 7.648 1.00 0.11 O ATOM 556 CB ALA A 36 10.016 -3.890 6.408 1.00 0.18 C ATOM 0 H ALA A 36 9.814 -1.493 5.964 1.00 0.14 H new ATOM 0 HA ALA A 36 8.089 -3.634 5.506 1.00 0.15 H new ATOM 0 HB1 ALA A 36 9.874 -4.951 6.615 1.00 0.18 H new ATOM 0 HB2 ALA A 36 10.542 -3.772 5.461 1.00 0.18 H new ATOM 0 HB3 ALA A 36 10.604 -3.440 7.208 1.00 0.18 H new ATOM 562 N ALA A 37 8.253 -2.701 8.661 1.00 0.13 N ATOM 563 CA ALA A 37 7.603 -2.817 9.962 1.00 0.11 C ATOM 564 C ALA A 37 6.121 -2.462 9.879 1.00 0.14 C ATOM 565 O ALA A 37 5.278 -3.121 10.490 1.00 0.20 O ATOM 566 CB ALA A 37 8.302 -1.924 10.976 1.00 0.13 C ATOM 0 H ALA A 37 9.008 -2.016 8.632 1.00 0.13 H new ATOM 0 HA ALA A 37 7.679 -3.855 10.285 1.00 0.11 H new ATOM 0 HB1 ALA A 37 7.809 -2.018 11.944 1.00 0.13 H new ATOM 0 HB2 ALA A 37 9.345 -2.226 11.069 1.00 0.13 H new ATOM 0 HB3 ALA A 37 8.253 -0.887 10.643 1.00 0.13 H new ATOM 572 N PHE A 38 5.811 -1.422 9.114 1.00 0.15 N ATOM 573 CA PHE A 38 4.435 -0.974 8.951 1.00 0.21 C ATOM 574 C PHE A 38 3.571 -2.063 8.317 1.00 0.21 C ATOM 575 O PHE A 38 2.437 -2.298 8.734 1.00 0.28 O ATOM 576 CB PHE A 38 4.396 0.300 8.099 1.00 0.26 C ATOM 577 CG PHE A 38 3.017 0.708 7.665 1.00 0.34 C ATOM 578 CD1 PHE A 38 2.071 1.099 8.596 1.00 0.41 C ATOM 579 CD2 PHE A 38 2.670 0.693 6.326 1.00 0.35 C ATOM 580 CE1 PHE A 38 0.801 1.471 8.199 1.00 0.50 C ATOM 581 CE2 PHE A 38 1.405 1.063 5.923 1.00 0.43 C ATOM 582 CZ PHE A 38 0.467 1.452 6.860 1.00 0.50 C ATOM 0 H PHE A 38 6.497 -0.872 8.596 1.00 0.15 H new ATOM 0 HA PHE A 38 4.028 -0.756 9.938 1.00 0.21 H new ATOM 0 HB2 PHE A 38 4.843 1.117 8.666 1.00 0.26 H new ATOM 0 HB3 PHE A 38 5.014 0.151 7.214 1.00 0.26 H new ATOM 0 HD1 PHE A 38 2.328 1.114 9.645 1.00 0.41 H new ATOM 0 HD2 PHE A 38 3.398 0.388 5.589 1.00 0.35 H new ATOM 0 HE1 PHE A 38 0.071 1.776 8.935 1.00 0.50 H new ATOM 0 HE2 PHE A 38 1.147 1.049 4.874 1.00 0.43 H new ATOM 0 HZ PHE A 38 -0.525 1.740 6.545 1.00 0.50 H new ATOM 592 N VAL A 39 4.125 -2.734 7.318 1.00 0.16 N ATOM 593 CA VAL A 39 3.407 -3.788 6.617 1.00 0.17 C ATOM 594 C VAL A 39 3.368 -5.075 7.440 1.00 0.16 C ATOM 595 O VAL A 39 2.344 -5.760 7.481 1.00 0.18 O ATOM 596 CB VAL A 39 4.036 -4.055 5.237 1.00 0.15 C ATOM 597 CG1 VAL A 39 3.219 -5.065 4.448 1.00 0.17 C ATOM 598 CG2 VAL A 39 4.164 -2.751 4.464 1.00 0.15 C ATOM 0 H VAL A 39 5.071 -2.567 6.974 1.00 0.16 H new ATOM 0 HA VAL A 39 2.382 -3.447 6.472 1.00 0.17 H new ATOM 0 HB VAL A 39 5.030 -4.477 5.388 1.00 0.15 H new ATOM 0 HG11 VAL A 39 3.687 -5.234 3.478 1.00 0.17 H new ATOM 0 HG12 VAL A 39 3.174 -6.005 4.998 1.00 0.17 H new ATOM 0 HG13 VAL A 39 2.209 -4.681 4.302 1.00 0.17 H new ATOM 0 HG21 VAL A 39 4.610 -2.948 3.489 1.00 0.15 H new ATOM 0 HG22 VAL A 39 3.177 -2.310 4.329 1.00 0.15 H new ATOM 0 HG23 VAL A 39 4.798 -2.059 5.019 1.00 0.15 H new ATOM 608 N ASP A 40 4.473 -5.385 8.114 1.00 0.12 N ATOM 609 CA ASP A 40 4.560 -6.587 8.950 1.00 0.11 C ATOM 610 C ASP A 40 3.497 -6.551 10.040 1.00 0.12 C ATOM 611 O ASP A 40 2.895 -7.569 10.382 1.00 0.13 O ATOM 612 CB ASP A 40 5.953 -6.700 9.584 1.00 0.09 C ATOM 613 CG ASP A 40 6.072 -7.867 10.555 1.00 0.09 C ATOM 614 OD1 ASP A 40 5.725 -7.693 11.747 1.00 1.03 O ATOM 615 OD2 ASP A 40 6.529 -8.957 10.138 1.00 1.14 O1- ATOM 0 H ASP A 40 5.323 -4.822 8.100 1.00 0.12 H new ATOM 0 HA ASP A 40 4.390 -7.458 8.317 1.00 0.11 H new ATOM 0 HB2 ASP A 40 6.697 -6.813 8.795 1.00 0.09 H new ATOM 0 HB3 ASP A 40 6.184 -5.773 10.109 1.00 0.09 H new ATOM 620 N ASP A 41 3.255 -5.364 10.570 1.00 0.12 N ATOM 621 CA ASP A 41 2.261 -5.191 11.618 1.00 0.13 C ATOM 622 C ASP A 41 0.847 -5.268 11.053 1.00 0.09 C ATOM 623 O ASP A 41 -0.070 -5.763 11.711 1.00 0.07 O ATOM 624 CB ASP A 41 2.467 -3.858 12.330 1.00 0.16 C ATOM 625 CG ASP A 41 2.034 -3.925 13.776 1.00 0.13 C ATOM 626 OD1 ASP A 41 2.758 -4.542 14.587 1.00 0.12 O1- ATOM 627 OD2 ASP A 41 0.967 -3.371 14.108 1.00 0.22 O ATOM 0 H ASP A 41 3.732 -4.506 10.293 1.00 0.12 H new ATOM 0 HA ASP A 41 2.386 -6.001 12.336 1.00 0.13 H new ATOM 0 HB2 ASP A 41 3.519 -3.576 12.278 1.00 0.16 H new ATOM 0 HB3 ASP A 41 1.902 -3.080 11.817 1.00 0.16 H new ATOM 632 N LYS A 42 0.687 -4.804 9.818 1.00 0.10 N ATOM 633 CA LYS A 42 -0.611 -4.817 9.152 1.00 0.11 C ATOM 634 C LYS A 42 -1.111 -6.253 8.975 1.00 0.03 C ATOM 635 O LYS A 42 -2.294 -6.534 9.148 1.00 0.07 O ATOM 636 CB LYS A 42 -0.519 -4.102 7.795 1.00 0.19 C ATOM 637 CG LYS A 42 -1.810 -4.120 6.978 1.00 0.26 C ATOM 638 CD LYS A 42 -2.946 -3.358 7.652 1.00 0.28 C ATOM 639 CE LYS A 42 -2.650 -1.869 7.761 1.00 0.31 C ATOM 640 NZ LYS A 42 -3.744 -1.136 8.456 1.00 0.38 N1+ ATOM 0 H LYS A 42 1.443 -4.413 9.256 1.00 0.10 H new ATOM 0 HA LYS A 42 -1.328 -4.283 9.776 1.00 0.11 H new ATOM 0 HB2 LYS A 42 -0.226 -3.066 7.964 1.00 0.19 H new ATOM 0 HB3 LYS A 42 0.274 -4.566 7.208 1.00 0.19 H new ATOM 0 HG2 LYS A 42 -1.620 -3.686 5.996 1.00 0.26 H new ATOM 0 HG3 LYS A 42 -2.118 -5.153 6.816 1.00 0.26 H new ATOM 0 HD2 LYS A 42 -3.866 -3.504 7.086 1.00 0.28 H new ATOM 0 HD3 LYS A 42 -3.116 -3.767 8.648 1.00 0.28 H new ATOM 0 HE2 LYS A 42 -1.715 -1.723 8.301 1.00 0.31 H new ATOM 0 HE3 LYS A 42 -2.510 -1.452 6.763 1.00 0.31 H new ATOM 0 HZ1 LYS A 42 -3.816 -0.173 8.071 1.00 0.38 H new ATOM 0 HZ2 LYS A 42 -4.644 -1.636 8.309 1.00 0.38 H new ATOM 0 HZ3 LYS A 42 -3.537 -1.087 9.474 1.00 0.38 H new ATOM 654 N MET A 43 -0.206 -7.165 8.639 1.00 0.07 N ATOM 655 CA MET A 43 -0.584 -8.565 8.461 1.00 0.12 C ATOM 656 C MET A 43 -0.742 -9.252 9.807 1.00 0.16 C ATOM 657 O MET A 43 -1.437 -10.259 9.920 1.00 0.35 O ATOM 658 CB MET A 43 0.437 -9.316 7.599 1.00 0.18 C ATOM 659 CG MET A 43 1.856 -9.281 8.136 1.00 0.16 C ATOM 660 SD MET A 43 3.078 -9.644 6.865 1.00 0.26 S ATOM 661 CE MET A 43 2.648 -8.419 5.631 1.00 0.29 C ATOM 0 H MET A 43 0.783 -6.966 8.486 1.00 0.07 H new ATOM 0 HA MET A 43 -1.542 -8.584 7.941 1.00 0.12 H new ATOM 0 HB2 MET A 43 0.122 -10.355 7.506 1.00 0.18 H new ATOM 0 HB3 MET A 43 0.430 -8.890 6.596 1.00 0.18 H new ATOM 0 HG2 MET A 43 2.057 -8.297 8.560 1.00 0.16 H new ATOM 0 HG3 MET A 43 1.953 -10.003 8.947 1.00 0.16 H new ATOM 0 HE1 MET A 43 3.558 -8.018 5.184 1.00 0.29 H new ATOM 0 HE2 MET A 43 2.037 -8.882 4.856 1.00 0.29 H new ATOM 0 HE3 MET A 43 2.088 -7.611 6.101 1.00 0.29 H new ATOM 671 N HIS A 44 -0.123 -8.692 10.831 1.00 0.02 N ATOM 672 CA HIS A 44 -0.201 -9.266 12.165 1.00 0.04 C ATOM 673 C HIS A 44 -1.622 -9.141 12.711 1.00 0.05 C ATOM 674 O HIS A 44 -2.175 -10.101 13.248 1.00 0.20 O ATOM 675 CB HIS A 44 0.790 -8.581 13.107 1.00 0.08 C ATOM 676 CG HIS A 44 1.369 -9.501 14.132 1.00 0.11 C ATOM 677 ND1 HIS A 44 2.703 -9.845 14.165 1.00 0.27 N ATOM 678 CD2 HIS A 44 0.791 -10.155 15.163 1.00 0.29 C ATOM 679 CE1 HIS A 44 2.916 -10.672 15.169 1.00 0.38 C ATOM 680 NE2 HIS A 44 1.773 -10.878 15.792 1.00 0.40 N ATOM 0 H HIS A 44 0.438 -7.843 10.766 1.00 0.02 H new ATOM 0 HA HIS A 44 0.060 -10.322 12.101 1.00 0.04 H new ATOM 0 HB2 HIS A 44 1.600 -8.149 12.519 1.00 0.08 H new ATOM 0 HB3 HIS A 44 0.288 -7.756 13.612 1.00 0.08 H new ATOM 0 HD2 HIS A 44 -0.252 -10.116 15.441 1.00 0.29 H new ATOM 0 HE1 HIS A 44 3.867 -11.108 15.436 1.00 0.38 H new ATOM 0 HE2 HIS A 44 1.640 -11.476 16.607 1.00 0.40 H new ATOM 689 N GLU A 45 -2.218 -7.964 12.546 1.00 0.16 N ATOM 690 CA GLU A 45 -3.579 -7.721 13.020 1.00 0.15 C ATOM 691 C GLU A 45 -4.607 -8.464 12.172 1.00 0.15 C ATOM 692 O GLU A 45 -5.755 -8.639 12.582 1.00 0.17 O ATOM 693 CB GLU A 45 -3.893 -6.220 13.031 1.00 0.12 C ATOM 694 CG GLU A 45 -3.859 -5.549 11.660 1.00 0.09 C ATOM 695 CD GLU A 45 -4.056 -4.052 11.749 1.00 0.12 C ATOM 696 OE1 GLU A 45 -3.410 -3.416 12.609 1.00 0.16 O ATOM 697 OE2 GLU A 45 -4.875 -3.506 10.979 1.00 0.21 O1- ATOM 0 H GLU A 45 -1.782 -7.164 12.088 1.00 0.16 H new ATOM 0 HA GLU A 45 -3.641 -8.101 14.040 1.00 0.15 H new ATOM 0 HB2 GLU A 45 -4.881 -6.073 13.468 1.00 0.12 H new ATOM 0 HB3 GLU A 45 -3.178 -5.718 13.683 1.00 0.12 H new ATOM 0 HG2 GLU A 45 -2.904 -5.760 11.178 1.00 0.09 H new ATOM 0 HG3 GLU A 45 -4.636 -5.979 11.028 1.00 0.09 H new ATOM 704 N PHE A 46 -4.200 -8.897 10.989 1.00 0.15 N ATOM 705 CA PHE A 46 -5.097 -9.627 10.111 1.00 0.14 C ATOM 706 C PHE A 46 -4.954 -11.128 10.319 1.00 0.16 C ATOM 707 O PHE A 46 -5.876 -11.895 10.035 1.00 0.17 O ATOM 708 CB PHE A 46 -4.846 -9.260 8.651 1.00 0.14 C ATOM 709 CG PHE A 46 -5.736 -8.154 8.157 1.00 0.15 C ATOM 710 CD1 PHE A 46 -7.114 -8.281 8.227 1.00 0.18 C ATOM 711 CD2 PHE A 46 -5.195 -6.993 7.631 1.00 0.13 C ATOM 712 CE1 PHE A 46 -7.939 -7.268 7.778 1.00 0.19 C ATOM 713 CE2 PHE A 46 -6.014 -5.977 7.180 1.00 0.14 C ATOM 714 CZ PHE A 46 -7.388 -6.115 7.254 1.00 0.17 C ATOM 0 H PHE A 46 -3.260 -8.756 10.618 1.00 0.15 H new ATOM 0 HA PHE A 46 -6.119 -9.344 10.362 1.00 0.14 H new ATOM 0 HB2 PHE A 46 -3.805 -8.960 8.532 1.00 0.14 H new ATOM 0 HB3 PHE A 46 -4.996 -10.143 8.030 1.00 0.14 H new ATOM 0 HD1 PHE A 46 -7.548 -9.181 8.637 1.00 0.18 H new ATOM 0 HD2 PHE A 46 -4.122 -6.881 7.573 1.00 0.13 H new ATOM 0 HE1 PHE A 46 -9.012 -7.377 7.837 1.00 0.19 H new ATOM 0 HE2 PHE A 46 -5.582 -5.076 6.770 1.00 0.14 H new ATOM 0 HZ PHE A 46 -8.030 -5.321 6.902 1.00 0.17 H new ATOM 724 N SER A 47 -3.802 -11.545 10.837 1.00 0.21 N ATOM 725 CA SER A 47 -3.547 -12.954 11.099 1.00 0.23 C ATOM 726 C SER A 47 -4.443 -13.451 12.234 1.00 0.21 C ATOM 727 O SER A 47 -4.754 -14.641 12.322 1.00 0.32 O ATOM 728 CB SER A 47 -2.069 -13.179 11.442 1.00 0.25 C ATOM 729 OG SER A 47 -1.236 -12.886 10.332 1.00 0.76 O ATOM 0 H SER A 47 -3.031 -10.925 11.083 1.00 0.21 H new ATOM 0 HA SER A 47 -3.779 -13.523 10.198 1.00 0.23 H new ATOM 0 HB2 SER A 47 -1.789 -12.550 12.287 1.00 0.25 H new ATOM 0 HB3 SER A 47 -1.918 -14.213 11.751 1.00 0.25 H new ATOM 0 HG SER A 47 -1.058 -11.923 10.302 1.00 0.76 H new ATOM 735 N GLU A 48 -4.864 -12.525 13.094 1.00 0.09 N ATOM 736 CA GLU A 48 -5.737 -12.857 14.208 1.00 0.08 C ATOM 737 C GLU A 48 -7.199 -12.812 13.771 1.00 0.10 C ATOM 738 O GLU A 48 -8.079 -13.349 14.440 1.00 0.07 O ATOM 739 CB GLU A 48 -5.506 -11.897 15.377 1.00 0.11 C ATOM 740 CG GLU A 48 -5.962 -10.476 15.100 1.00 0.06 C ATOM 741 CD GLU A 48 -6.267 -9.699 16.361 1.00 0.28 C ATOM 742 OE1 GLU A 48 -6.884 -10.274 17.281 1.00 0.61 O ATOM 743 OE2 GLU A 48 -5.890 -8.511 16.436 1.00 0.49 O1- ATOM 0 H GLU A 48 -4.612 -11.538 13.037 1.00 0.09 H new ATOM 0 HA GLU A 48 -5.501 -13.869 14.538 1.00 0.08 H new ATOM 0 HB2 GLU A 48 -6.033 -12.273 16.254 1.00 0.11 H new ATOM 0 HB3 GLU A 48 -4.444 -11.887 15.623 1.00 0.11 H new ATOM 0 HG2 GLU A 48 -5.188 -9.955 14.537 1.00 0.06 H new ATOM 0 HG3 GLU A 48 -6.852 -10.502 14.471 1.00 0.06 H new ATOM 750 N LYS A 49 -7.447 -12.160 12.637 1.00 0.14 N ATOM 751 CA LYS A 49 -8.797 -12.052 12.097 1.00 0.18 C ATOM 752 C LYS A 49 -9.232 -13.390 11.531 1.00 0.27 C ATOM 753 O LYS A 49 -10.393 -13.779 11.652 1.00 0.38 O ATOM 754 CB LYS A 49 -8.861 -10.975 11.011 1.00 0.12 C ATOM 755 CG LYS A 49 -8.838 -9.556 11.561 1.00 0.20 C ATOM 756 CD LYS A 49 -10.242 -9.002 11.755 1.00 0.43 C ATOM 757 CE LYS A 49 -10.837 -8.508 10.442 1.00 0.64 C ATOM 758 NZ LYS A 49 -12.156 -7.848 10.637 1.00 0.88 N1+ ATOM 0 H LYS A 49 -6.730 -11.700 12.076 1.00 0.14 H new ATOM 0 HA LYS A 49 -9.473 -11.766 12.903 1.00 0.18 H new ATOM 0 HB2 LYS A 49 -8.020 -11.106 10.330 1.00 0.12 H new ATOM 0 HB3 LYS A 49 -9.770 -11.114 10.425 1.00 0.12 H new ATOM 0 HG2 LYS A 49 -8.308 -9.544 12.513 1.00 0.20 H new ATOM 0 HG3 LYS A 49 -8.284 -8.911 10.879 1.00 0.20 H new ATOM 0 HD2 LYS A 49 -10.884 -9.775 12.178 1.00 0.43 H new ATOM 0 HD3 LYS A 49 -10.214 -8.183 12.474 1.00 0.43 H new ATOM 0 HE2 LYS A 49 -10.147 -7.806 9.973 1.00 0.64 H new ATOM 0 HE3 LYS A 49 -10.951 -9.348 9.757 1.00 0.64 H new ATOM 0 HZ1 LYS A 49 -12.523 -7.528 9.718 1.00 0.88 H new ATOM 0 HZ2 LYS A 49 -12.823 -8.524 11.060 1.00 0.88 H new ATOM 0 HZ3 LYS A 49 -12.045 -7.030 11.269 1.00 0.88 H new ATOM 772 N GLN A 50 -8.274 -14.081 10.910 1.00 0.30 N ATOM 773 CA GLN A 50 -8.500 -15.403 10.324 1.00 0.41 C ATOM 774 C GLN A 50 -9.700 -15.406 9.369 1.00 0.29 C ATOM 775 O GLN A 50 -10.749 -15.962 9.689 1.00 0.47 O ATOM 776 CB GLN A 50 -8.699 -16.439 11.437 1.00 0.63 C ATOM 777 CG GLN A 50 -7.491 -16.583 12.348 1.00 0.78 C ATOM 778 CD GLN A 50 -7.828 -17.231 13.677 1.00 0.93 C ATOM 779 OE1 GLN A 50 -8.078 -16.545 14.666 1.00 0.94 O ATOM 780 NE2 GLN A 50 -7.830 -18.555 13.711 1.00 1.07 N ATOM 0 H GLN A 50 -7.319 -13.739 10.799 1.00 0.30 H new ATOM 0 HA GLN A 50 -7.619 -15.665 9.739 1.00 0.41 H new ATOM 0 HB2 GLN A 50 -9.565 -16.157 12.036 1.00 0.63 H new ATOM 0 HB3 GLN A 50 -8.924 -17.406 10.987 1.00 0.63 H new ATOM 0 HG2 GLN A 50 -6.730 -17.177 11.842 1.00 0.78 H new ATOM 0 HG3 GLN A 50 -7.059 -15.599 12.529 1.00 0.78 H new ATOM 0 HE21 GLN A 50 -7.617 -19.087 12.867 1.00 1.07 H new ATOM 0 HE22 GLN A 50 -8.045 -19.042 14.581 1.00 1.07 H new ATOM 789 N PRO A 51 -9.557 -14.786 8.181 1.00 0.11 N ATOM 790 CA PRO A 51 -10.640 -14.733 7.198 1.00 0.09 C ATOM 791 C PRO A 51 -10.865 -16.083 6.512 1.00 0.05 C ATOM 792 O PRO A 51 -11.828 -16.783 6.811 1.00 0.20 O ATOM 793 CB PRO A 51 -10.192 -13.665 6.194 1.00 0.32 C ATOM 794 CG PRO A 51 -8.722 -13.464 6.405 1.00 0.44 C ATOM 795 CD PRO A 51 -8.341 -14.100 7.721 1.00 0.34 C ATOM 0 HA PRO A 51 -11.596 -14.494 7.664 1.00 0.09 H new ATOM 0 HB2 PRO A 51 -10.396 -13.985 5.172 1.00 0.32 H new ATOM 0 HB3 PRO A 51 -10.736 -12.734 6.351 1.00 0.32 H new ATOM 0 HG2 PRO A 51 -8.156 -13.913 5.588 1.00 0.44 H new ATOM 0 HG3 PRO A 51 -8.481 -12.401 6.413 1.00 0.44 H new ATOM 0 HD2 PRO A 51 -7.516 -14.801 7.596 1.00 0.34 H new ATOM 0 HD3 PRO A 51 -8.015 -13.350 8.442 1.00 0.34 H new ATOM 803 N MET A 52 -9.978 -16.441 5.590 1.00 0.10 N ATOM 804 CA MET A 52 -10.085 -17.712 4.881 1.00 0.14 C ATOM 805 C MET A 52 -9.022 -18.690 5.381 1.00 0.14 C ATOM 806 O MET A 52 -8.949 -19.830 4.915 1.00 0.16 O ATOM 807 CB MET A 52 -9.940 -17.505 3.369 1.00 0.25 C ATOM 808 CG MET A 52 -8.618 -16.884 2.953 1.00 0.17 C ATOM 809 SD MET A 52 -8.587 -15.094 3.184 1.00 0.22 S ATOM 810 CE MET A 52 -9.743 -14.565 1.916 1.00 1.11 C ATOM 0 H MET A 52 -9.178 -15.871 5.316 1.00 0.10 H new ATOM 0 HA MET A 52 -11.072 -18.131 5.079 1.00 0.14 H new ATOM 0 HB2 MET A 52 -10.051 -18.467 2.869 1.00 0.25 H new ATOM 0 HB3 MET A 52 -10.754 -16.869 3.020 1.00 0.25 H new ATOM 0 HG2 MET A 52 -7.811 -17.335 3.531 1.00 0.17 H new ATOM 0 HG3 MET A 52 -8.427 -17.115 1.905 1.00 0.17 H new ATOM 0 HE1 MET A 52 -9.623 -13.496 1.738 1.00 1.11 H new ATOM 0 HE2 MET A 52 -9.546 -15.111 0.993 1.00 1.11 H new ATOM 0 HE3 MET A 52 -10.762 -14.766 2.246 1.00 1.11 H new ATOM 820 N LEU A 53 -8.217 -18.227 6.341 1.00 0.15 N ATOM 821 CA LEU A 53 -7.139 -19.026 6.932 1.00 0.17 C ATOM 822 C LEU A 53 -6.161 -19.524 5.871 1.00 0.20 C ATOM 823 O LEU A 53 -6.197 -20.688 5.467 1.00 0.41 O ATOM 824 CB LEU A 53 -7.709 -20.198 7.732 1.00 0.19 C ATOM 825 CG LEU A 53 -8.270 -19.828 9.103 1.00 0.36 C ATOM 826 CD1 LEU A 53 -9.092 -20.973 9.664 1.00 0.31 C ATOM 827 CD2 LEU A 53 -7.145 -19.470 10.058 1.00 0.51 C ATOM 0 H LEU A 53 -8.294 -17.288 6.731 1.00 0.15 H new ATOM 0 HA LEU A 53 -6.586 -18.378 7.612 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -8.499 -20.668 7.147 1.00 0.19 H new ATOM 0 HB3 LEU A 53 -6.925 -20.943 7.865 1.00 0.19 H new ATOM 0 HG LEU A 53 -8.917 -18.958 8.988 1.00 0.36 H new ATOM 0 HD11 LEU A 53 -9.485 -20.694 10.642 1.00 0.31 H new ATOM 0 HD12 LEU A 53 -9.920 -21.192 8.989 1.00 0.31 H new ATOM 0 HD13 LEU A 53 -8.463 -21.857 9.765 1.00 0.31 H new ATOM 0 HD21 LEU A 53 -7.562 -19.209 11.030 1.00 0.51 H new ATOM 0 HD22 LEU A 53 -6.476 -20.323 10.168 1.00 0.51 H new ATOM 0 HD23 LEU A 53 -6.588 -18.621 9.662 1.00 0.51 H new ATOM 839 N ASP A 54 -5.291 -18.623 5.430 1.00 0.04 N ATOM 840 CA ASP A 54 -4.292 -18.939 4.417 1.00 0.08 C ATOM 841 C ASP A 54 -3.234 -17.844 4.387 1.00 0.06 C ATOM 842 O ASP A 54 -3.567 -16.667 4.469 1.00 0.07 O ATOM 843 CB ASP A 54 -4.961 -19.067 3.050 1.00 0.12 C ATOM 844 CG ASP A 54 -3.984 -19.402 1.952 1.00 0.14 C ATOM 845 OD1 ASP A 54 -3.323 -20.457 2.044 1.00 0.21 O ATOM 846 OD2 ASP A 54 -3.884 -18.619 0.986 1.00 0.47 O1- ATOM 0 H ASP A 54 -5.258 -17.659 5.762 1.00 0.04 H new ATOM 0 HA ASP A 54 -3.815 -19.888 4.662 1.00 0.08 H new ATOM 0 HB2 ASP A 54 -5.728 -19.840 3.097 1.00 0.12 H new ATOM 0 HB3 ASP A 54 -5.466 -18.132 2.808 1.00 0.12 H new ATOM 851 N VAL A 55 -1.967 -18.228 4.272 1.00 0.06 N ATOM 852 CA VAL A 55 -0.874 -17.252 4.256 1.00 0.07 C ATOM 853 C VAL A 55 -0.875 -16.390 2.981 1.00 0.06 C ATOM 854 O VAL A 55 -0.849 -15.165 3.083 1.00 0.06 O ATOM 855 CB VAL A 55 0.514 -17.913 4.445 1.00 0.09 C ATOM 856 CG1 VAL A 55 1.582 -16.860 4.688 1.00 0.08 C ATOM 857 CG2 VAL A 55 0.478 -18.912 5.592 1.00 0.13 C ATOM 0 H VAL A 55 -1.669 -19.200 4.189 1.00 0.06 H new ATOM 0 HA VAL A 55 -1.057 -16.599 5.109 1.00 0.07 H new ATOM 0 HB VAL A 55 0.765 -18.449 3.529 1.00 0.09 H new ATOM 0 HG11 VAL A 55 2.549 -17.346 4.818 1.00 0.08 H new ATOM 0 HG12 VAL A 55 1.627 -16.184 3.834 1.00 0.08 H new ATOM 0 HG13 VAL A 55 1.337 -16.294 5.586 1.00 0.08 H new ATOM 0 HG21 VAL A 55 1.462 -19.366 5.710 1.00 0.13 H new ATOM 0 HG22 VAL A 55 0.203 -18.399 6.513 1.00 0.13 H new ATOM 0 HG23 VAL A 55 -0.256 -19.688 5.376 1.00 0.13 H new ATOM 867 N PRO A 56 -0.885 -16.991 1.764 1.00 0.05 N ATOM 868 CA PRO A 56 -0.902 -16.215 0.513 1.00 0.04 C ATOM 869 C PRO A 56 -2.045 -15.209 0.461 1.00 0.04 C ATOM 870 O PRO A 56 -1.847 -14.046 0.098 1.00 0.04 O ATOM 871 CB PRO A 56 -1.088 -17.276 -0.573 1.00 0.05 C ATOM 872 CG PRO A 56 -0.555 -18.526 0.027 1.00 0.06 C ATOM 873 CD PRO A 56 -0.852 -18.445 1.497 1.00 0.06 C ATOM 0 HA PRO A 56 0.007 -15.623 0.401 1.00 0.04 H new ATOM 0 HB2 PRO A 56 -2.138 -17.384 -0.846 1.00 0.05 H new ATOM 0 HB3 PRO A 56 -0.548 -17.011 -1.482 1.00 0.05 H new ATOM 0 HG2 PRO A 56 -1.026 -19.403 -0.418 1.00 0.06 H new ATOM 0 HG3 PRO A 56 0.517 -18.616 -0.149 1.00 0.06 H new ATOM 0 HD2 PRO A 56 -1.803 -18.919 1.741 1.00 0.06 H new ATOM 0 HD3 PRO A 56 -0.085 -18.944 2.089 1.00 0.06 H new ATOM 881 N LYS A 57 -3.233 -15.665 0.835 1.00 0.05 N ATOM 882 CA LYS A 57 -4.425 -14.820 0.839 1.00 0.05 C ATOM 883 C LYS A 57 -4.299 -13.717 1.890 1.00 0.06 C ATOM 884 O LYS A 57 -4.807 -12.612 1.711 1.00 0.08 O ATOM 885 CB LYS A 57 -5.674 -15.666 1.117 1.00 0.06 C ATOM 886 CG LYS A 57 -6.323 -16.281 -0.125 1.00 0.09 C ATOM 887 CD LYS A 57 -5.295 -16.720 -1.157 1.00 0.11 C ATOM 888 CE LYS A 57 -5.717 -17.993 -1.870 1.00 0.12 C ATOM 889 NZ LYS A 57 -5.501 -19.195 -1.028 1.00 0.10 N1+ ATOM 0 H LYS A 57 -3.400 -16.623 1.142 1.00 0.05 H new ATOM 0 HA LYS A 57 -4.520 -14.357 -0.143 1.00 0.05 H new ATOM 0 HB2 LYS A 57 -5.406 -16.468 1.805 1.00 0.06 H new ATOM 0 HB3 LYS A 57 -6.411 -15.044 1.624 1.00 0.06 H new ATOM 0 HG2 LYS A 57 -6.927 -17.139 0.171 1.00 0.09 H new ATOM 0 HG3 LYS A 57 -7.000 -15.555 -0.576 1.00 0.09 H new ATOM 0 HD2 LYS A 57 -5.152 -15.925 -1.888 1.00 0.11 H new ATOM 0 HD3 LYS A 57 -4.334 -16.879 -0.668 1.00 0.11 H new ATOM 0 HE2 LYS A 57 -6.770 -17.925 -2.142 1.00 0.12 H new ATOM 0 HE3 LYS A 57 -5.154 -18.093 -2.798 1.00 0.12 H new ATOM 0 HZ1 LYS A 57 -5.302 -20.014 -1.637 1.00 0.10 H new ATOM 0 HZ2 LYS A 57 -4.695 -19.033 -0.392 1.00 0.10 H new ATOM 0 HZ3 LYS A 57 -6.355 -19.382 -0.464 1.00 0.10 H new ATOM 903 N LEU A 58 -3.605 -14.029 2.978 1.00 0.05 N ATOM 904 CA LEU A 58 -3.399 -13.081 4.071 1.00 0.06 C ATOM 905 C LEU A 58 -2.459 -11.958 3.635 1.00 0.06 C ATOM 906 O LEU A 58 -2.705 -10.783 3.909 1.00 0.08 O ATOM 907 CB LEU A 58 -2.812 -13.821 5.294 1.00 0.06 C ATOM 908 CG LEU A 58 -3.155 -13.272 6.689 1.00 0.11 C ATOM 909 CD1 LEU A 58 -2.554 -11.893 6.908 1.00 0.07 C ATOM 910 CD2 LEU A 58 -4.660 -13.249 6.917 1.00 0.17 C ATOM 0 H LEU A 58 -3.171 -14.940 3.129 1.00 0.05 H new ATOM 0 HA LEU A 58 -4.358 -12.640 4.343 1.00 0.06 H new ATOM 0 HB2 LEU A 58 -3.144 -14.858 5.250 1.00 0.06 H new ATOM 0 HB3 LEU A 58 -1.727 -13.829 5.193 1.00 0.06 H new ATOM 0 HG LEU A 58 -2.713 -13.947 7.422 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -2.816 -11.536 7.904 1.00 0.07 H new ATOM 0 HD12 LEU A 58 -1.469 -11.950 6.817 1.00 0.07 H new ATOM 0 HD13 LEU A 58 -2.945 -11.203 6.160 1.00 0.07 H new ATOM 0 HD21 LEU A 58 -4.871 -12.856 7.912 1.00 0.17 H new ATOM 0 HD22 LEU A 58 -5.132 -12.613 6.168 1.00 0.17 H new ATOM 0 HD23 LEU A 58 -5.056 -14.261 6.835 1.00 0.17 H new ATOM 922 N ALA A 59 -1.391 -12.332 2.944 1.00 0.05 N ATOM 923 CA ALA A 59 -0.396 -11.373 2.478 1.00 0.06 C ATOM 924 C ALA A 59 -1.000 -10.331 1.537 1.00 0.08 C ATOM 925 O ALA A 59 -0.859 -9.130 1.761 1.00 0.11 O ATOM 926 CB ALA A 59 0.753 -12.100 1.796 1.00 0.06 C ATOM 0 H ALA A 59 -1.190 -13.300 2.692 1.00 0.05 H new ATOM 0 HA ALA A 59 -0.018 -10.841 3.351 1.00 0.06 H new ATOM 0 HB1 ALA A 59 1.490 -11.374 1.452 1.00 0.06 H new ATOM 0 HB2 ALA A 59 1.221 -12.785 2.503 1.00 0.06 H new ATOM 0 HB3 ALA A 59 0.373 -12.663 0.943 1.00 0.06 H new ATOM 932 N VAL A 60 -1.692 -10.787 0.498 1.00 0.05 N ATOM 933 CA VAL A 60 -2.299 -9.877 -0.473 1.00 0.07 C ATOM 934 C VAL A 60 -3.429 -9.057 0.157 1.00 0.07 C ATOM 935 O VAL A 60 -3.731 -7.949 -0.289 1.00 0.08 O ATOM 936 CB VAL A 60 -2.825 -10.635 -1.715 1.00 0.07 C ATOM 937 CG1 VAL A 60 -3.918 -11.620 -1.341 1.00 0.07 C ATOM 938 CG2 VAL A 60 -3.321 -9.662 -2.775 1.00 0.08 C ATOM 0 H VAL A 60 -1.847 -11.776 0.305 1.00 0.05 H new ATOM 0 HA VAL A 60 -1.514 -9.194 -0.796 1.00 0.07 H new ATOM 0 HB VAL A 60 -1.992 -11.202 -2.131 1.00 0.07 H new ATOM 0 HG11 VAL A 60 -4.265 -12.135 -2.236 1.00 0.07 H new ATOM 0 HG12 VAL A 60 -3.524 -12.349 -0.633 1.00 0.07 H new ATOM 0 HG13 VAL A 60 -4.750 -11.084 -0.885 1.00 0.07 H new ATOM 0 HG21 VAL A 60 -3.686 -10.219 -3.638 1.00 0.08 H new ATOM 0 HG22 VAL A 60 -4.130 -9.058 -2.364 1.00 0.08 H new ATOM 0 HG23 VAL A 60 -2.503 -9.011 -3.083 1.00 0.08 H new ATOM 948 N LEU A 61 -4.029 -9.597 1.212 1.00 0.07 N ATOM 949 CA LEU A 61 -5.121 -8.925 1.906 1.00 0.08 C ATOM 950 C LEU A 61 -4.668 -7.577 2.473 1.00 0.08 C ATOM 951 O LEU A 61 -5.443 -6.623 2.528 1.00 0.08 O ATOM 952 CB LEU A 61 -5.650 -9.819 3.033 1.00 0.10 C ATOM 953 CG LEU A 61 -6.848 -9.269 3.811 1.00 0.10 C ATOM 954 CD1 LEU A 61 -8.108 -9.323 2.961 1.00 0.11 C ATOM 955 CD2 LEU A 61 -7.042 -10.052 5.099 1.00 0.07 C ATOM 0 H LEU A 61 -3.776 -10.503 1.607 1.00 0.07 H new ATOM 0 HA LEU A 61 -5.919 -8.738 1.188 1.00 0.08 H new ATOM 0 HB2 LEU A 61 -5.929 -10.783 2.607 1.00 0.10 H new ATOM 0 HB3 LEU A 61 -4.838 -10.004 3.736 1.00 0.10 H new ATOM 0 HG LEU A 61 -6.649 -8.227 4.062 1.00 0.10 H new ATOM 0 HD11 LEU A 61 -8.949 -8.928 3.531 1.00 0.11 H new ATOM 0 HD12 LEU A 61 -7.966 -8.724 2.061 1.00 0.11 H new ATOM 0 HD13 LEU A 61 -8.314 -10.356 2.680 1.00 0.11 H new ATOM 0 HD21 LEU A 61 -7.897 -9.651 5.643 1.00 0.07 H new ATOM 0 HD22 LEU A 61 -7.221 -11.101 4.864 1.00 0.07 H new ATOM 0 HD23 LEU A 61 -6.147 -9.966 5.715 1.00 0.07 H new ATOM 967 N THR A 62 -3.406 -7.501 2.877 1.00 0.10 N ATOM 968 CA THR A 62 -2.866 -6.270 3.438 1.00 0.11 C ATOM 969 C THR A 62 -2.556 -5.247 2.352 1.00 0.10 C ATOM 970 O THR A 62 -2.704 -4.044 2.567 1.00 0.13 O ATOM 971 CB THR A 62 -1.590 -6.532 4.259 1.00 0.13 C ATOM 972 OG1 THR A 62 -0.558 -7.081 3.431 1.00 0.12 O ATOM 973 CG2 THR A 62 -1.884 -7.479 5.402 1.00 0.15 C ATOM 0 H THR A 62 -2.741 -8.273 2.827 1.00 0.10 H new ATOM 0 HA THR A 62 -3.637 -5.869 4.096 1.00 0.11 H new ATOM 0 HB THR A 62 -1.247 -5.580 4.663 1.00 0.13 H new ATOM 0 HG1 THR A 62 -0.887 -7.895 2.995 1.00 0.12 H new ATOM 0 HG21 THR A 62 -0.972 -7.654 5.973 1.00 0.15 H new ATOM 0 HG22 THR A 62 -2.641 -7.040 6.052 1.00 0.15 H new ATOM 0 HG23 THR A 62 -2.251 -8.425 5.005 1.00 0.15 H new ATOM 981 N ALA A 63 -2.151 -5.734 1.184 1.00 0.08 N ATOM 982 CA ALA A 63 -1.808 -4.865 0.067 1.00 0.08 C ATOM 983 C ALA A 63 -2.978 -3.973 -0.323 1.00 0.07 C ATOM 984 O ALA A 63 -2.821 -2.760 -0.487 1.00 0.08 O ATOM 985 CB ALA A 63 -1.356 -5.695 -1.123 1.00 0.08 C ATOM 0 H ALA A 63 -2.052 -6.730 0.987 1.00 0.08 H new ATOM 0 HA ALA A 63 -0.989 -4.219 0.383 1.00 0.08 H new ATOM 0 HB1 ALA A 63 -1.102 -5.034 -1.952 1.00 0.08 H new ATOM 0 HB2 ALA A 63 -0.480 -6.282 -0.846 1.00 0.08 H new ATOM 0 HB3 ALA A 63 -2.161 -6.365 -1.426 1.00 0.08 H new ATOM 991 N VAL A 64 -4.156 -4.571 -0.446 1.00 0.07 N ATOM 992 CA VAL A 64 -5.349 -3.826 -0.819 1.00 0.08 C ATOM 993 C VAL A 64 -5.834 -2.944 0.334 1.00 0.09 C ATOM 994 O VAL A 64 -6.386 -1.867 0.111 1.00 0.12 O ATOM 995 CB VAL A 64 -6.482 -4.769 -1.299 1.00 0.08 C ATOM 996 CG1 VAL A 64 -7.014 -5.625 -0.162 1.00 0.05 C ATOM 997 CG2 VAL A 64 -7.608 -3.977 -1.946 1.00 0.12 C ATOM 0 H VAL A 64 -4.310 -5.568 -0.293 1.00 0.07 H new ATOM 0 HA VAL A 64 -5.078 -3.178 -1.653 1.00 0.08 H new ATOM 0 HB VAL A 64 -6.057 -5.438 -2.047 1.00 0.08 H new ATOM 0 HG11 VAL A 64 -7.807 -6.274 -0.535 1.00 0.05 H new ATOM 0 HG12 VAL A 64 -6.206 -6.235 0.243 1.00 0.05 H new ATOM 0 HG13 VAL A 64 -7.411 -4.981 0.623 1.00 0.05 H new ATOM 0 HG21 VAL A 64 -8.391 -4.660 -2.275 1.00 0.12 H new ATOM 0 HG22 VAL A 64 -8.020 -3.273 -1.223 1.00 0.12 H new ATOM 0 HG23 VAL A 64 -7.221 -3.429 -2.805 1.00 0.12 H new ATOM 1007 N GLN A 65 -5.596 -3.384 1.567 1.00 0.08 N ATOM 1008 CA GLN A 65 -6.014 -2.620 2.732 1.00 0.09 C ATOM 1009 C GLN A 65 -5.146 -1.375 2.880 1.00 0.07 C ATOM 1010 O GLN A 65 -5.660 -0.275 3.091 1.00 0.12 O ATOM 1011 CB GLN A 65 -5.945 -3.480 3.998 1.00 0.10 C ATOM 1012 CG GLN A 65 -6.983 -3.101 5.056 1.00 0.10 C ATOM 1013 CD GLN A 65 -6.437 -2.153 6.107 1.00 0.24 C ATOM 1014 OE1 GLN A 65 -5.987 -2.581 7.169 1.00 0.81 O ATOM 1015 NE2 GLN A 65 -6.467 -0.865 5.819 1.00 0.31 N ATOM 0 H GLN A 65 -5.119 -4.260 1.781 1.00 0.08 H new ATOM 0 HA GLN A 65 -7.049 -2.310 2.591 1.00 0.09 H new ATOM 0 HB2 GLN A 65 -6.084 -4.526 3.724 1.00 0.10 H new ATOM 0 HB3 GLN A 65 -4.949 -3.393 4.432 1.00 0.10 H new ATOM 0 HG2 GLN A 65 -7.840 -2.638 4.567 1.00 0.10 H new ATOM 0 HG3 GLN A 65 -7.345 -4.006 5.544 1.00 0.10 H new ATOM 0 HE21 GLN A 65 -6.849 -0.551 4.927 1.00 0.31 H new ATOM 0 HE22 GLN A 65 -6.109 -0.184 6.489 1.00 0.31 H new ATOM 1024 N ILE A 66 -3.836 -1.557 2.767 1.00 0.02 N ATOM 1025 CA ILE A 66 -2.890 -0.448 2.865 1.00 0.03 C ATOM 1026 C ILE A 66 -3.163 0.583 1.771 1.00 0.05 C ATOM 1027 O ILE A 66 -3.171 1.791 2.025 1.00 0.18 O ATOM 1028 CB ILE A 66 -1.428 -0.947 2.764 1.00 0.10 C ATOM 1029 CG1 ILE A 66 -1.025 -1.653 4.065 1.00 0.74 C ATOM 1030 CG2 ILE A 66 -0.482 0.208 2.455 1.00 0.71 C ATOM 1031 CD1 ILE A 66 0.272 -2.434 3.970 1.00 1.29 C ATOM 0 H ILE A 66 -3.401 -2.466 2.607 1.00 0.02 H new ATOM 0 HA ILE A 66 -3.026 0.019 3.840 1.00 0.03 H new ATOM 0 HB ILE A 66 -1.357 -1.662 1.944 1.00 0.10 H new ATOM 0 HG12 ILE A 66 -0.931 -0.909 4.856 1.00 0.74 H new ATOM 0 HG13 ILE A 66 -1.825 -2.332 4.360 1.00 0.74 H new ATOM 0 HG21 ILE A 66 0.540 -0.166 2.389 1.00 0.71 H new ATOM 0 HG22 ILE A 66 -0.763 0.665 1.506 1.00 0.71 H new ATOM 0 HG23 ILE A 66 -0.545 0.952 3.249 1.00 0.71 H new ATOM 0 HD11 ILE A 66 0.486 -2.903 4.931 1.00 1.29 H new ATOM 0 HD12 ILE A 66 0.178 -3.204 3.204 1.00 1.29 H new ATOM 0 HD13 ILE A 66 1.086 -1.758 3.707 1.00 1.29 H new ATOM 1043 N ALA A 67 -3.400 0.098 0.556 1.00 0.07 N ATOM 1044 CA ALA A 67 -3.691 0.969 -0.572 1.00 0.05 C ATOM 1045 C ALA A 67 -4.948 1.790 -0.306 1.00 0.04 C ATOM 1046 O ALA A 67 -4.971 2.997 -0.536 1.00 0.03 O ATOM 1047 CB ALA A 67 -3.841 0.150 -1.846 1.00 0.06 C ATOM 0 H ALA A 67 -3.396 -0.897 0.330 1.00 0.07 H new ATOM 0 HA ALA A 67 -2.857 1.659 -0.702 1.00 0.05 H new ATOM 0 HB1 ALA A 67 -4.059 0.814 -2.682 1.00 0.06 H new ATOM 0 HB2 ALA A 67 -2.915 -0.390 -2.043 1.00 0.06 H new ATOM 0 HB3 ALA A 67 -4.657 -0.562 -1.727 1.00 0.06 H new ATOM 1053 N SER A 68 -5.978 1.131 0.222 1.00 0.05 N ATOM 1054 CA SER A 68 -7.247 1.785 0.533 1.00 0.07 C ATOM 1055 C SER A 68 -7.053 2.910 1.555 1.00 0.08 C ATOM 1056 O SER A 68 -7.855 3.844 1.636 1.00 0.12 O ATOM 1057 CB SER A 68 -8.246 0.748 1.065 1.00 0.07 C ATOM 1058 OG SER A 68 -9.546 1.297 1.204 1.00 0.04 O ATOM 0 H SER A 68 -5.957 0.136 0.445 1.00 0.05 H new ATOM 0 HA SER A 68 -7.640 2.229 -0.381 1.00 0.07 H new ATOM 0 HB2 SER A 68 -8.281 -0.105 0.387 1.00 0.07 H new ATOM 0 HB3 SER A 68 -7.904 0.374 2.030 1.00 0.07 H new ATOM 0 HG SER A 68 -10.082 0.725 1.792 1.00 0.04 H new ATOM 1064 N GLU A 69 -5.980 2.826 2.332 1.00 0.08 N ATOM 1065 CA GLU A 69 -5.690 3.831 3.339 1.00 0.14 C ATOM 1066 C GLU A 69 -4.979 5.032 2.726 1.00 0.10 C ATOM 1067 O GLU A 69 -5.479 6.158 2.785 1.00 0.10 O ATOM 1068 CB GLU A 69 -4.830 3.244 4.460 1.00 0.19 C ATOM 1069 CG GLU A 69 -5.605 2.384 5.442 1.00 0.29 C ATOM 1070 CD GLU A 69 -4.799 2.049 6.681 1.00 0.63 C ATOM 1071 OE1 GLU A 69 -4.122 2.951 7.216 1.00 0.79 O1- ATOM 1072 OE2 GLU A 69 -4.848 0.884 7.131 1.00 0.82 O ATOM 0 H GLU A 69 -5.297 2.070 2.281 1.00 0.08 H new ATOM 0 HA GLU A 69 -6.641 4.162 3.756 1.00 0.14 H new ATOM 0 HB2 GLU A 69 -4.033 2.646 4.018 1.00 0.19 H new ATOM 0 HB3 GLU A 69 -4.353 4.059 5.004 1.00 0.19 H new ATOM 0 HG2 GLU A 69 -6.517 2.905 5.735 1.00 0.29 H new ATOM 0 HG3 GLU A 69 -5.910 1.460 4.950 1.00 0.29 H new ATOM 1079 N TYR A 70 -3.837 4.776 2.105 1.00 0.07 N ATOM 1080 CA TYR A 70 -3.020 5.833 1.517 1.00 0.04 C ATOM 1081 C TYR A 70 -3.657 6.480 0.288 1.00 0.03 C ATOM 1082 O TYR A 70 -3.380 7.643 -0.011 1.00 0.04 O ATOM 1083 CB TYR A 70 -1.635 5.296 1.165 1.00 0.05 C ATOM 1084 CG TYR A 70 -0.716 5.200 2.360 1.00 0.18 C ATOM 1085 CD1 TYR A 70 -0.057 6.322 2.846 1.00 0.36 C ATOM 1086 CD2 TYR A 70 -0.517 3.991 3.012 1.00 0.37 C ATOM 1087 CE1 TYR A 70 0.773 6.242 3.945 1.00 0.47 C ATOM 1088 CE2 TYR A 70 0.314 3.904 4.110 1.00 0.46 C ATOM 1089 CZ TYR A 70 0.954 5.031 4.575 1.00 0.44 C ATOM 1090 OH TYR A 70 1.777 4.950 5.673 1.00 0.58 O ATOM 0 H TYR A 70 -3.451 3.838 1.994 1.00 0.07 H new ATOM 0 HA TYR A 70 -2.937 6.614 2.273 1.00 0.04 H new ATOM 0 HB2 TYR A 70 -1.738 4.309 0.713 1.00 0.05 H new ATOM 0 HB3 TYR A 70 -1.180 5.944 0.415 1.00 0.05 H new ATOM 0 HD1 TYR A 70 -0.197 7.274 2.355 1.00 0.36 H new ATOM 0 HD2 TYR A 70 -1.020 3.105 2.654 1.00 0.37 H new ATOM 0 HE1 TYR A 70 1.278 7.124 4.309 1.00 0.47 H new ATOM 0 HE2 TYR A 70 0.462 2.955 4.603 1.00 0.46 H new ATOM 0 HH TYR A 70 1.796 4.026 6.000 1.00 0.58 H new ATOM 1100 N LEU A 71 -4.509 5.746 -0.420 1.00 0.07 N ATOM 1101 CA LEU A 71 -5.164 6.291 -1.609 1.00 0.11 C ATOM 1102 C LEU A 71 -6.045 7.483 -1.251 1.00 0.12 C ATOM 1103 O LEU A 71 -6.244 8.381 -2.064 1.00 0.16 O ATOM 1104 CB LEU A 71 -5.996 5.223 -2.332 1.00 0.13 C ATOM 1105 CG LEU A 71 -5.323 4.602 -3.570 1.00 0.14 C ATOM 1106 CD1 LEU A 71 -6.002 3.300 -3.980 1.00 0.12 C ATOM 1107 CD2 LEU A 71 -5.332 5.580 -4.741 1.00 0.23 C ATOM 0 H LEU A 71 -4.762 4.783 -0.197 1.00 0.07 H new ATOM 0 HA LEU A 71 -4.377 6.627 -2.284 1.00 0.11 H new ATOM 0 HB2 LEU A 71 -6.229 4.426 -1.626 1.00 0.13 H new ATOM 0 HB3 LEU A 71 -6.944 5.667 -2.637 1.00 0.13 H new ATOM 0 HG LEU A 71 -4.290 4.381 -3.300 1.00 0.14 H new ATOM 0 HD11 LEU A 71 -5.502 2.889 -4.857 1.00 0.12 H new ATOM 0 HD12 LEU A 71 -5.943 2.585 -3.160 1.00 0.12 H new ATOM 0 HD13 LEU A 71 -7.048 3.494 -4.217 1.00 0.12 H new ATOM 0 HD21 LEU A 71 -4.851 5.119 -5.604 1.00 0.23 H new ATOM 0 HD22 LEU A 71 -6.361 5.836 -4.993 1.00 0.23 H new ATOM 0 HD23 LEU A 71 -4.790 6.484 -4.464 1.00 0.23 H new ATOM 1119 N LYS A 72 -6.560 7.493 -0.029 1.00 0.13 N ATOM 1120 CA LYS A 72 -7.406 8.588 0.424 1.00 0.16 C ATOM 1121 C LYS A 72 -6.549 9.769 0.861 1.00 0.16 C ATOM 1122 O LYS A 72 -6.964 10.923 0.767 1.00 0.30 O ATOM 1123 CB LYS A 72 -8.303 8.137 1.579 1.00 0.18 C ATOM 1124 CG LYS A 72 -9.092 6.874 1.278 1.00 0.18 C ATOM 1125 CD LYS A 72 -10.154 6.603 2.335 1.00 0.22 C ATOM 1126 CE LYS A 72 -9.559 6.499 3.730 1.00 0.25 C ATOM 1127 NZ LYS A 72 -8.437 5.526 3.782 1.00 0.24 N1+ ATOM 0 H LYS A 72 -6.408 6.759 0.663 1.00 0.13 H new ATOM 0 HA LYS A 72 -8.040 8.897 -0.407 1.00 0.16 H new ATOM 0 HB2 LYS A 72 -7.687 7.969 2.462 1.00 0.18 H new ATOM 0 HB3 LYS A 72 -8.998 8.940 1.823 1.00 0.18 H new ATOM 0 HG2 LYS A 72 -9.567 6.967 0.301 1.00 0.18 H new ATOM 0 HG3 LYS A 72 -8.411 6.025 1.222 1.00 0.18 H new ATOM 0 HD2 LYS A 72 -10.896 7.402 2.316 1.00 0.22 H new ATOM 0 HD3 LYS A 72 -10.677 5.677 2.094 1.00 0.22 H new ATOM 0 HE2 LYS A 72 -9.204 7.480 4.048 1.00 0.25 H new ATOM 0 HE3 LYS A 72 -10.334 6.197 4.434 1.00 0.25 H new ATOM 0 HZ1 LYS A 72 -8.511 4.956 4.649 1.00 0.24 H new ATOM 0 HZ2 LYS A 72 -8.481 4.901 2.952 1.00 0.24 H new ATOM 0 HZ3 LYS A 72 -7.532 6.039 3.782 1.00 0.24 H new ATOM 1141 N LEU A 73 -5.338 9.471 1.322 1.00 0.03 N ATOM 1142 CA LEU A 73 -4.413 10.501 1.775 1.00 0.05 C ATOM 1143 C LEU A 73 -4.005 11.387 0.600 1.00 0.05 C ATOM 1144 O LEU A 73 -3.990 12.612 0.701 1.00 0.10 O ATOM 1145 CB LEU A 73 -3.179 9.848 2.430 1.00 0.14 C ATOM 1146 CG LEU A 73 -2.333 10.728 3.368 1.00 0.17 C ATOM 1147 CD1 LEU A 73 -1.515 11.745 2.589 1.00 0.18 C ATOM 1148 CD2 LEU A 73 -3.201 11.431 4.408 1.00 0.24 C ATOM 0 H LEU A 73 -4.975 8.520 1.391 1.00 0.03 H new ATOM 0 HA LEU A 73 -4.904 11.127 2.520 1.00 0.05 H new ATOM 0 HB2 LEU A 73 -3.516 8.979 2.995 1.00 0.14 H new ATOM 0 HB3 LEU A 73 -2.530 9.480 1.636 1.00 0.14 H new ATOM 0 HG LEU A 73 -1.644 10.065 3.891 1.00 0.17 H new ATOM 0 HD11 LEU A 73 -0.930 12.349 3.282 1.00 0.18 H new ATOM 0 HD12 LEU A 73 -0.844 11.225 1.905 1.00 0.18 H new ATOM 0 HD13 LEU A 73 -2.184 12.391 2.020 1.00 0.18 H new ATOM 0 HD21 LEU A 73 -2.571 12.044 5.053 1.00 0.24 H new ATOM 0 HD22 LEU A 73 -3.930 12.065 3.904 1.00 0.24 H new ATOM 0 HD23 LEU A 73 -3.722 10.687 5.010 1.00 0.24 H new ATOM 1160 N LYS A 74 -3.698 10.759 -0.524 1.00 0.10 N ATOM 1161 CA LYS A 74 -3.304 11.501 -1.714 1.00 0.18 C ATOM 1162 C LYS A 74 -4.517 12.140 -2.380 1.00 0.21 C ATOM 1163 O LYS A 74 -4.386 13.066 -3.180 1.00 0.29 O ATOM 1164 CB LYS A 74 -2.584 10.589 -2.708 1.00 0.23 C ATOM 1165 CG LYS A 74 -3.442 9.449 -3.241 1.00 0.11 C ATOM 1166 CD LYS A 74 -2.869 8.873 -4.529 1.00 0.18 C ATOM 1167 CE LYS A 74 -3.303 9.685 -5.740 1.00 0.26 C ATOM 1168 NZ LYS A 74 -4.695 9.365 -6.162 1.00 0.15 N1+ ATOM 0 H LYS A 74 -3.713 9.746 -0.639 1.00 0.10 H new ATOM 0 HA LYS A 74 -2.619 12.290 -1.404 1.00 0.18 H new ATOM 0 HB2 LYS A 74 -2.234 11.189 -3.548 1.00 0.23 H new ATOM 0 HB3 LYS A 74 -1.701 10.170 -2.226 1.00 0.23 H new ATOM 0 HG2 LYS A 74 -3.512 8.663 -2.489 1.00 0.11 H new ATOM 0 HG3 LYS A 74 -4.455 9.808 -3.421 1.00 0.11 H new ATOM 0 HD2 LYS A 74 -1.781 8.858 -4.470 1.00 0.18 H new ATOM 0 HD3 LYS A 74 -3.197 7.840 -4.645 1.00 0.18 H new ATOM 0 HE2 LYS A 74 -3.231 10.748 -5.508 1.00 0.26 H new ATOM 0 HE3 LYS A 74 -2.621 9.492 -6.568 1.00 0.26 H new ATOM 0 HZ1 LYS A 74 -4.879 9.781 -7.097 1.00 0.15 H new ATOM 0 HZ2 LYS A 74 -4.814 8.333 -6.213 1.00 0.15 H new ATOM 0 HZ3 LYS A 74 -5.366 9.757 -5.471 1.00 0.15 H new ATOM 1182 N GLU A 75 -5.699 11.641 -2.044 1.00 0.18 N ATOM 1183 CA GLU A 75 -6.928 12.163 -2.615 1.00 0.27 C ATOM 1184 C GLU A 75 -7.329 13.462 -1.920 1.00 0.23 C ATOM 1185 O GLU A 75 -7.725 14.429 -2.576 1.00 0.32 O ATOM 1186 CB GLU A 75 -8.049 11.125 -2.523 1.00 0.36 C ATOM 1187 CG GLU A 75 -8.873 11.007 -3.797 1.00 0.51 C ATOM 1188 CD GLU A 75 -8.080 10.472 -4.983 1.00 0.97 C ATOM 1189 OE1 GLU A 75 -6.837 10.376 -4.895 1.00 1.57 O1- ATOM 1190 OE2 GLU A 75 -8.702 10.159 -6.023 1.00 1.47 O ATOM 0 H GLU A 75 -5.830 10.877 -1.381 1.00 0.18 H new ATOM 0 HA GLU A 75 -6.755 12.380 -3.669 1.00 0.27 H new ATOM 0 HB2 GLU A 75 -7.615 10.153 -2.289 1.00 0.36 H new ATOM 0 HB3 GLU A 75 -8.709 11.387 -1.696 1.00 0.36 H new ATOM 0 HG2 GLU A 75 -9.723 10.350 -3.612 1.00 0.51 H new ATOM 0 HG3 GLU A 75 -9.277 11.987 -4.052 1.00 0.51 H new ATOM 1197 N GLU A 76 -7.210 13.490 -0.594 1.00 0.13 N ATOM 1198 CA GLU A 76 -7.551 14.689 0.168 1.00 0.10 C ATOM 1199 C GLU A 76 -6.562 15.811 -0.151 1.00 0.05 C ATOM 1200 O GLU A 76 -6.881 16.995 -0.020 1.00 0.03 O ATOM 1201 CB GLU A 76 -7.579 14.396 1.672 1.00 0.10 C ATOM 1202 CG GLU A 76 -6.222 14.087 2.274 1.00 0.19 C ATOM 1203 CD GLU A 76 -5.977 14.853 3.554 1.00 0.51 C ATOM 1204 OE1 GLU A 76 -5.620 16.045 3.478 1.00 0.59 O1- ATOM 1205 OE2 GLU A 76 -6.149 14.269 4.646 1.00 1.56 O ATOM 0 H GLU A 76 -6.884 12.705 -0.030 1.00 0.13 H new ATOM 0 HA GLU A 76 -8.551 15.012 -0.123 1.00 0.10 H new ATOM 0 HB2 GLU A 76 -8.006 15.255 2.190 1.00 0.10 H new ATOM 0 HB3 GLU A 76 -8.244 13.552 1.853 1.00 0.10 H new ATOM 0 HG2 GLU A 76 -6.150 13.018 2.473 1.00 0.19 H new ATOM 0 HG3 GLU A 76 -5.442 14.330 1.552 1.00 0.19 H new ATOM 1212 N TYR A 77 -5.362 15.426 -0.585 1.00 0.06 N ATOM 1213 CA TYR A 77 -4.327 16.384 -0.960 1.00 0.05 C ATOM 1214 C TYR A 77 -4.823 17.243 -2.116 1.00 0.07 C ATOM 1215 O TYR A 77 -4.708 18.471 -2.092 1.00 0.11 O ATOM 1216 CB TYR A 77 -3.035 15.643 -1.346 1.00 0.09 C ATOM 1217 CG TYR A 77 -1.998 16.485 -2.077 1.00 0.12 C ATOM 1218 CD1 TYR A 77 -1.669 17.771 -1.652 1.00 0.14 C ATOM 1219 CD2 TYR A 77 -1.329 15.976 -3.184 1.00 0.12 C ATOM 1220 CE1 TYR A 77 -0.713 18.520 -2.313 1.00 0.17 C ATOM 1221 CE2 TYR A 77 -0.374 16.721 -3.849 1.00 0.16 C ATOM 1222 CZ TYR A 77 -0.068 17.989 -3.413 1.00 0.18 C ATOM 1223 OH TYR A 77 0.881 18.727 -4.082 1.00 0.21 O ATOM 0 H TYR A 77 -5.083 14.450 -0.685 1.00 0.06 H new ATOM 0 HA TYR A 77 -4.107 17.031 -0.111 1.00 0.05 H new ATOM 0 HB2 TYR A 77 -2.581 15.242 -0.440 1.00 0.09 H new ATOM 0 HB3 TYR A 77 -3.297 14.792 -1.975 1.00 0.09 H new ATOM 0 HD1 TYR A 77 -2.169 18.190 -0.791 1.00 0.14 H new ATOM 0 HD2 TYR A 77 -1.560 14.980 -3.531 1.00 0.12 H new ATOM 0 HE1 TYR A 77 -0.472 19.516 -1.971 1.00 0.17 H new ATOM 0 HE2 TYR A 77 0.131 16.308 -4.710 1.00 0.16 H new ATOM 0 HH TYR A 77 1.236 18.203 -4.830 1.00 0.21 H new ATOM 1233 N GLN A 78 -5.408 16.589 -3.114 1.00 0.10 N ATOM 1234 CA GLN A 78 -5.933 17.282 -4.282 1.00 0.13 C ATOM 1235 C GLN A 78 -7.134 18.143 -3.903 1.00 0.06 C ATOM 1236 O GLN A 78 -7.381 19.178 -4.522 1.00 0.08 O ATOM 1237 CB GLN A 78 -6.318 16.276 -5.368 1.00 0.19 C ATOM 1238 CG GLN A 78 -5.118 15.600 -6.012 1.00 0.23 C ATOM 1239 CD GLN A 78 -4.172 16.586 -6.674 1.00 0.31 C ATOM 1240 OE1 GLN A 78 -4.591 17.639 -7.162 1.00 0.51 O ATOM 1241 NE2 GLN A 78 -2.889 16.255 -6.697 1.00 0.26 N ATOM 0 H GLN A 78 -5.530 15.577 -3.136 1.00 0.10 H new ATOM 0 HA GLN A 78 -5.154 17.936 -4.673 1.00 0.13 H new ATOM 0 HB2 GLN A 78 -6.967 15.514 -4.935 1.00 0.19 H new ATOM 0 HB3 GLN A 78 -6.896 16.786 -6.138 1.00 0.19 H new ATOM 0 HG2 GLN A 78 -4.575 15.035 -5.254 1.00 0.23 H new ATOM 0 HG3 GLN A 78 -5.466 14.883 -6.755 1.00 0.23 H new ATOM 0 HE21 GLN A 78 -2.582 15.375 -6.283 1.00 0.26 H new ATOM 0 HE22 GLN A 78 -2.209 16.880 -7.129 1.00 0.26 H new ATOM 1250 N ARG A 79 -7.853 17.725 -2.871 1.00 0.04 N ATOM 1251 CA ARG A 79 -9.026 18.454 -2.398 1.00 0.11 C ATOM 1252 C ARG A 79 -8.597 19.760 -1.741 1.00 0.17 C ATOM 1253 O ARG A 79 -9.113 20.831 -2.058 1.00 0.29 O ATOM 1254 CB ARG A 79 -9.821 17.592 -1.412 1.00 0.18 C ATOM 1255 CG ARG A 79 -10.951 18.328 -0.704 1.00 0.46 C ATOM 1256 CD ARG A 79 -12.065 18.703 -1.667 1.00 0.78 C ATOM 1257 NE ARG A 79 -12.988 19.671 -1.082 1.00 1.20 N ATOM 1258 CZ ARG A 79 -13.467 20.729 -1.733 1.00 0.98 C ATOM 1259 NH1 ARG A 79 -13.165 20.914 -3.012 1.00 0.63 N1+ ATOM 1260 NH2 ARG A 79 -14.266 21.588 -1.109 1.00 1.78 N ATOM 0 H ARG A 79 -7.644 16.879 -2.341 1.00 0.04 H new ATOM 0 HA ARG A 79 -9.667 18.686 -3.248 1.00 0.11 H new ATOM 0 HB2 ARG A 79 -10.238 16.739 -1.948 1.00 0.18 H new ATOM 0 HB3 ARG A 79 -9.137 17.194 -0.663 1.00 0.18 H new ATOM 0 HG2 ARG A 79 -11.353 17.700 0.091 1.00 0.46 H new ATOM 0 HG3 ARG A 79 -10.559 19.229 -0.232 1.00 0.46 H new ATOM 0 HD2 ARG A 79 -11.633 19.118 -2.578 1.00 0.78 H new ATOM 0 HD3 ARG A 79 -12.614 17.806 -1.954 1.00 0.78 H new ATOM 0 HE ARG A 79 -13.284 19.528 -0.116 1.00 1.20 H new ATOM 0 HH11 ARG A 79 -12.566 20.246 -3.496 1.00 0.63 H new ATOM 0 HH12 ARG A 79 -13.532 21.725 -3.511 1.00 0.63 H new ATOM 0 HH21 ARG A 79 -14.513 21.437 -0.131 1.00 1.78 H new ATOM 0 HH22 ARG A 79 -14.633 22.398 -1.608 1.00 1.78 H new ATOM 1274 N LEU A 80 -7.636 19.658 -0.836 1.00 0.11 N ATOM 1275 CA LEU A 80 -7.110 20.819 -0.125 1.00 0.17 C ATOM 1276 C LEU A 80 -6.529 21.833 -1.107 1.00 0.18 C ATOM 1277 O LEU A 80 -6.740 23.039 -0.982 1.00 0.22 O ATOM 1278 CB LEU A 80 -6.026 20.378 0.867 1.00 0.19 C ATOM 1279 CG LEU A 80 -4.981 21.450 1.206 1.00 0.22 C ATOM 1280 CD1 LEU A 80 -5.409 22.255 2.420 1.00 0.25 C ATOM 1281 CD2 LEU A 80 -3.611 20.824 1.431 1.00 0.23 C ATOM 0 H LEU A 80 -7.199 18.775 -0.573 1.00 0.11 H new ATOM 0 HA LEU A 80 -7.928 21.290 0.420 1.00 0.17 H new ATOM 0 HB2 LEU A 80 -6.509 20.058 1.790 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -5.512 19.508 0.458 1.00 0.19 H new ATOM 0 HG LEU A 80 -4.907 22.128 0.356 1.00 0.22 H new ATOM 0 HD11 LEU A 80 -4.653 23.009 2.642 1.00 0.25 H new ATOM 0 HD12 LEU A 80 -6.361 22.745 2.215 1.00 0.25 H new ATOM 0 HD13 LEU A 80 -5.521 21.590 3.277 1.00 0.25 H new ATOM 0 HD21 LEU A 80 -2.889 21.605 1.670 1.00 0.23 H new ATOM 0 HD22 LEU A 80 -3.666 20.116 2.258 1.00 0.23 H new ATOM 0 HD23 LEU A 80 -3.296 20.303 0.527 1.00 0.23 H new ATOM 1293 N ARG A 81 -5.807 21.325 -2.097 1.00 0.17 N ATOM 1294 CA ARG A 81 -5.171 22.168 -3.095 1.00 0.21 C ATOM 1295 C ARG A 81 -6.193 22.830 -4.017 1.00 0.22 C ATOM 1296 O ARG A 81 -6.052 24.003 -4.359 1.00 0.31 O ATOM 1297 CB ARG A 81 -4.158 21.354 -3.897 1.00 0.21 C ATOM 1298 CG ARG A 81 -2.915 21.012 -3.088 1.00 0.25 C ATOM 1299 CD ARG A 81 -1.739 21.903 -3.456 1.00 0.43 C ATOM 1300 NE ARG A 81 -2.008 23.320 -3.195 1.00 0.50 N ATOM 1301 CZ ARG A 81 -1.640 24.308 -4.014 1.00 0.50 C ATOM 1302 NH1 ARG A 81 -0.979 24.039 -5.132 1.00 0.71 N1+ ATOM 1303 NH2 ARG A 81 -1.937 25.569 -3.713 1.00 0.54 N ATOM 0 H ARG A 81 -5.648 20.326 -2.229 1.00 0.17 H new ATOM 0 HA ARG A 81 -4.648 22.970 -2.574 1.00 0.21 H new ATOM 0 HB2 ARG A 81 -4.628 20.433 -4.242 1.00 0.21 H new ATOM 0 HB3 ARG A 81 -3.867 21.915 -4.785 1.00 0.21 H new ATOM 0 HG2 ARG A 81 -3.133 21.118 -2.025 1.00 0.25 H new ATOM 0 HG3 ARG A 81 -2.647 19.969 -3.256 1.00 0.25 H new ATOM 0 HD2 ARG A 81 -0.861 21.593 -2.890 1.00 0.43 H new ATOM 0 HD3 ARG A 81 -1.502 21.769 -4.511 1.00 0.43 H new ATOM 0 HE ARG A 81 -2.505 23.565 -2.339 1.00 0.50 H new ATOM 0 HH11 ARG A 81 -0.750 23.074 -5.369 1.00 0.71 H new ATOM 0 HH12 ARG A 81 -0.700 24.797 -5.755 1.00 0.71 H new ATOM 0 HH21 ARG A 81 -2.447 25.782 -2.855 1.00 0.54 H new ATOM 0 HH22 ARG A 81 -1.655 26.323 -4.340 1.00 0.54 H new ATOM 1317 N GLU A 82 -7.227 22.090 -4.407 1.00 0.13 N ATOM 1318 CA GLU A 82 -8.258 22.636 -5.285 1.00 0.14 C ATOM 1319 C GLU A 82 -9.072 23.698 -4.548 1.00 0.14 C ATOM 1320 O GLU A 82 -9.535 24.668 -5.145 1.00 0.14 O ATOM 1321 CB GLU A 82 -9.174 21.522 -5.815 1.00 0.14 C ATOM 1322 CG GLU A 82 -10.362 21.207 -4.917 1.00 0.06 C ATOM 1323 CD GLU A 82 -11.269 20.140 -5.486 1.00 0.18 C ATOM 1324 OE1 GLU A 82 -11.585 20.200 -6.692 1.00 1.21 O1- ATOM 1325 OE2 GLU A 82 -11.692 19.246 -4.724 1.00 0.84 O ATOM 0 H GLU A 82 -7.373 21.119 -4.132 1.00 0.13 H new ATOM 0 HA GLU A 82 -7.769 23.103 -6.140 1.00 0.14 H new ATOM 0 HB2 GLU A 82 -9.544 21.809 -6.799 1.00 0.14 H new ATOM 0 HB3 GLU A 82 -8.584 20.615 -5.948 1.00 0.14 H new ATOM 0 HG2 GLU A 82 -9.997 20.883 -3.942 1.00 0.06 H new ATOM 0 HG3 GLU A 82 -10.939 22.117 -4.755 1.00 0.06 H new ATOM 1332 N GLN A 83 -9.216 23.507 -3.242 1.00 0.14 N ATOM 1333 CA GLN A 83 -9.964 24.430 -2.401 1.00 0.14 C ATOM 1334 C GLN A 83 -9.277 25.793 -2.353 1.00 0.13 C ATOM 1335 O GLN A 83 -9.925 26.827 -2.186 1.00 0.13 O ATOM 1336 CB GLN A 83 -10.084 23.845 -0.993 1.00 0.14 C ATOM 1337 CG GLN A 83 -11.057 24.582 -0.092 1.00 0.11 C ATOM 1338 CD GLN A 83 -11.178 23.938 1.275 1.00 0.55 C ATOM 1339 OE1 GLN A 83 -12.027 23.072 1.494 1.00 0.86 O ATOM 1340 NE2 GLN A 83 -10.334 24.354 2.204 1.00 0.65 N ATOM 0 H GLN A 83 -8.820 22.713 -2.740 1.00 0.14 H new ATOM 0 HA GLN A 83 -10.960 24.570 -2.822 1.00 0.14 H new ATOM 0 HB2 GLN A 83 -10.396 22.803 -1.070 1.00 0.14 H new ATOM 0 HB3 GLN A 83 -9.099 23.849 -0.525 1.00 0.14 H new ATOM 0 HG2 GLN A 83 -10.730 25.615 0.024 1.00 0.11 H new ATOM 0 HG3 GLN A 83 -12.038 24.609 -0.566 1.00 0.11 H new ATOM 0 HE21 GLN A 83 -9.646 25.073 1.982 1.00 0.65 H new ATOM 0 HE22 GLN A 83 -10.371 23.956 3.142 1.00 0.65 H new ATOM 1349 N LEU A 84 -7.963 25.782 -2.518 1.00 0.13 N ATOM 1350 CA LEU A 84 -7.177 27.007 -2.497 1.00 0.10 C ATOM 1351 C LEU A 84 -7.131 27.657 -3.877 1.00 0.05 C ATOM 1352 O LEU A 84 -7.206 28.877 -3.999 1.00 0.17 O ATOM 1353 CB LEU A 84 -5.749 26.729 -2.018 1.00 0.13 C ATOM 1354 CG LEU A 84 -5.450 27.131 -0.563 1.00 0.14 C ATOM 1355 CD1 LEU A 84 -4.045 26.704 -0.151 1.00 0.15 C ATOM 1356 CD2 LEU A 84 -5.623 28.634 -0.366 1.00 0.15 C ATOM 0 H LEU A 84 -7.416 24.934 -2.669 1.00 0.13 H new ATOM 0 HA LEU A 84 -7.662 27.692 -1.802 1.00 0.10 H new ATOM 0 HB2 LEU A 84 -5.547 25.664 -2.131 1.00 0.13 H new ATOM 0 HB3 LEU A 84 -5.055 27.257 -2.673 1.00 0.13 H new ATOM 0 HG LEU A 84 -6.166 26.613 0.075 1.00 0.14 H new ATOM 0 HD11 LEU A 84 -3.862 27.001 0.882 1.00 0.15 H new ATOM 0 HD12 LEU A 84 -3.953 25.621 -0.238 1.00 0.15 H new ATOM 0 HD13 LEU A 84 -3.314 27.184 -0.801 1.00 0.15 H new ATOM 0 HD21 LEU A 84 -5.406 28.892 0.670 1.00 0.15 H new ATOM 0 HD22 LEU A 84 -4.938 29.168 -1.024 1.00 0.15 H new ATOM 0 HD23 LEU A 84 -6.649 28.916 -0.603 1.00 0.15 H new ATOM 1368 N LYS A 85 -7.008 26.833 -4.910 1.00 0.12 N ATOM 1369 CA LYS A 85 -6.935 27.320 -6.286 1.00 0.08 C ATOM 1370 C LYS A 85 -8.252 27.950 -6.737 1.00 0.11 C ATOM 1371 O LYS A 85 -8.256 28.942 -7.466 1.00 0.11 O ATOM 1372 CB LYS A 85 -6.559 26.184 -7.238 1.00 0.02 C ATOM 1373 CG LYS A 85 -5.101 25.759 -7.147 1.00 0.15 C ATOM 1374 CD LYS A 85 -4.785 24.633 -8.118 1.00 0.18 C ATOM 1375 CE LYS A 85 -5.251 23.288 -7.583 1.00 0.27 C ATOM 1376 NZ LYS A 85 -5.943 22.483 -8.620 1.00 0.48 N1+ ATOM 0 H LYS A 85 -6.956 25.818 -4.822 1.00 0.12 H new ATOM 0 HA LYS A 85 -6.163 28.089 -6.314 1.00 0.08 H new ATOM 0 HB2 LYS A 85 -7.192 25.322 -7.027 1.00 0.02 H new ATOM 0 HB3 LYS A 85 -6.773 26.494 -8.261 1.00 0.02 H new ATOM 0 HG2 LYS A 85 -4.458 26.614 -7.358 1.00 0.15 H new ATOM 0 HG3 LYS A 85 -4.878 25.437 -6.130 1.00 0.15 H new ATOM 0 HD2 LYS A 85 -5.266 24.831 -9.076 1.00 0.18 H new ATOM 0 HD3 LYS A 85 -3.711 24.600 -8.302 1.00 0.18 H new ATOM 0 HE2 LYS A 85 -4.393 22.732 -7.206 1.00 0.27 H new ATOM 0 HE3 LYS A 85 -5.923 23.447 -6.740 1.00 0.27 H new ATOM 0 HZ1 LYS A 85 -6.243 21.575 -8.212 1.00 0.48 H new ATOM 0 HZ2 LYS A 85 -6.777 23.001 -8.962 1.00 0.48 H new ATOM 0 HZ3 LYS A 85 -5.294 22.308 -9.414 1.00 0.48 H new ATOM 1390 N LYS A 86 -9.363 27.365 -6.315 1.00 0.23 N ATOM 1391 CA LYS A 86 -10.677 27.868 -6.689 1.00 0.30 C ATOM 1392 C LYS A 86 -11.206 28.846 -5.644 1.00 0.31 C ATOM 1393 O LYS A 86 -10.951 30.059 -5.780 1.00 0.34 O ATOM 1394 CB LYS A 86 -11.651 26.703 -6.861 1.00 0.35 C ATOM 1395 CG LYS A 86 -13.047 27.126 -7.294 1.00 0.42 C ATOM 1396 CD LYS A 86 -14.084 26.061 -6.969 1.00 0.38 C ATOM 1397 CE LYS A 86 -14.182 25.813 -5.469 1.00 0.40 C ATOM 1398 NZ LYS A 86 -14.322 27.081 -4.696 1.00 0.64 N1+ ATOM 1399 OXT LYS A 86 -11.871 28.396 -4.688 1.00 0.35 O1- ATOM 0 H LYS A 86 -9.381 26.542 -5.713 1.00 0.23 H new ATOM 0 HA LYS A 86 -10.584 28.401 -7.635 1.00 0.30 H new ATOM 0 HB2 LYS A 86 -11.247 26.010 -7.599 1.00 0.35 H new ATOM 0 HB3 LYS A 86 -11.722 26.160 -5.919 1.00 0.35 H new ATOM 0 HG2 LYS A 86 -13.315 28.059 -6.797 1.00 0.42 H new ATOM 0 HG3 LYS A 86 -13.051 27.323 -8.366 1.00 0.42 H new ATOM 0 HD2 LYS A 86 -15.057 26.371 -7.351 1.00 0.38 H new ATOM 0 HD3 LYS A 86 -13.823 25.132 -7.476 1.00 0.38 H new ATOM 0 HE2 LYS A 86 -15.037 25.168 -5.264 1.00 0.40 H new ATOM 0 HE3 LYS A 86 -13.293 25.280 -5.132 1.00 0.40 H new ATOM 0 HZ1 LYS A 86 -14.620 26.864 -3.724 1.00 0.64 H new ATOM 0 HZ2 LYS A 86 -13.408 27.578 -4.675 1.00 0.64 H new ATOM 0 HZ3 LYS A 86 -15.035 27.687 -5.150 1.00 0.64 H new TER 1413 LYS A 86 ATOM 1414 N GLY B 1 -26.849 -9.568 9.041 1.00 1.09 N ATOM 1415 CA GLY B 1 -27.242 -8.141 8.924 1.00 0.31 C ATOM 1416 C GLY B 1 -26.466 -7.261 9.880 1.00 0.29 C ATOM 1417 O GLY B 1 -25.895 -7.751 10.856 1.00 0.69 O ATOM 0 H1 GLY B 1 -26.315 -9.852 8.195 1.00 1.09 H new ATOM 0 H2 GLY B 1 -26.254 -9.696 9.885 1.00 1.09 H new ATOM 0 H3 GLY B 1 -27.702 -10.157 9.126 1.00 1.09 H new ATOM 0 HA2 GLY B 1 -27.075 -7.801 7.902 1.00 0.31 H new ATOM 0 HA3 GLY B 1 -28.309 -8.041 9.123 1.00 0.31 H new ATOM 1423 N SER B 2 -26.451 -5.965 9.605 1.00 0.38 N ATOM 1424 CA SER B 2 -25.732 -5.009 10.431 1.00 0.63 C ATOM 1425 C SER B 2 -26.421 -4.802 11.780 1.00 0.42 C ATOM 1426 O SER B 2 -25.787 -4.932 12.832 1.00 0.44 O ATOM 1427 CB SER B 2 -25.633 -3.680 9.684 1.00 1.08 C ATOM 1428 OG SER B 2 -25.674 -3.894 8.281 1.00 1.47 O ATOM 0 H SER B 2 -26.934 -5.549 8.808 1.00 0.38 H new ATOM 0 HA SER B 2 -24.735 -5.403 10.629 1.00 0.63 H new ATOM 0 HB2 SER B 2 -26.453 -3.026 9.982 1.00 1.08 H new ATOM 0 HB3 SER B 2 -24.707 -3.173 9.954 1.00 1.08 H new ATOM 0 HG SER B 2 -25.611 -3.033 7.817 1.00 1.47 H new ATOM 1434 N HIS B 3 -27.717 -4.487 11.732 1.00 0.34 N ATOM 1435 CA HIS B 3 -28.515 -4.243 12.937 1.00 0.24 C ATOM 1436 C HIS B 3 -27.914 -3.112 13.763 1.00 0.25 C ATOM 1437 O HIS B 3 -27.611 -3.277 14.946 1.00 0.45 O ATOM 1438 CB HIS B 3 -28.649 -5.514 13.786 1.00 0.41 C ATOM 1439 CG HIS B 3 -29.992 -6.168 13.674 1.00 0.33 C ATOM 1440 ND1 HIS B 3 -31.121 -5.518 13.216 1.00 0.95 N ATOM 1441 CD2 HIS B 3 -30.383 -7.432 13.958 1.00 1.09 C ATOM 1442 CE1 HIS B 3 -32.141 -6.353 13.225 1.00 1.27 C ATOM 1443 NE2 HIS B 3 -31.722 -7.521 13.669 1.00 1.42 N ATOM 0 H HIS B 3 -28.241 -4.394 10.862 1.00 0.34 H new ATOM 0 HA HIS B 3 -29.514 -3.947 12.617 1.00 0.24 H new ATOM 0 HB2 HIS B 3 -27.881 -6.226 13.484 1.00 0.41 H new ATOM 0 HB3 HIS B 3 -28.461 -5.265 14.830 1.00 0.41 H new ATOM 0 HD2 HIS B 3 -29.757 -8.224 14.341 1.00 1.09 H new ATOM 0 HE1 HIS B 3 -33.150 -6.119 12.920 1.00 1.27 H new ATOM 0 HE2 HIS B 3 -32.299 -8.355 13.780 1.00 1.42 H new ATOM 1452 N MET B 4 -27.747 -1.961 13.129 1.00 0.16 N ATOM 1453 CA MET B 4 -27.182 -0.797 13.789 1.00 0.18 C ATOM 1454 C MET B 4 -27.678 0.485 13.131 1.00 0.37 C ATOM 1455 O MET B 4 -27.814 0.559 11.906 1.00 0.82 O ATOM 1456 CB MET B 4 -25.650 -0.849 13.748 1.00 0.24 C ATOM 1457 CG MET B 4 -25.074 -0.868 12.340 1.00 0.26 C ATOM 1458 SD MET B 4 -23.270 -0.886 12.314 1.00 0.45 S ATOM 1459 CE MET B 4 -22.934 -2.487 13.042 1.00 0.61 C ATOM 0 H MET B 4 -27.997 -1.809 12.152 1.00 0.16 H new ATOM 0 HA MET B 4 -27.506 -0.804 14.830 1.00 0.18 H new ATOM 0 HB2 MET B 4 -25.252 0.014 14.282 1.00 0.24 H new ATOM 0 HB3 MET B 4 -25.311 -1.737 14.281 1.00 0.24 H new ATOM 0 HG2 MET B 4 -25.448 -1.746 11.813 1.00 0.26 H new ATOM 0 HG3 MET B 4 -25.431 0.007 11.796 1.00 0.26 H new ATOM 0 HE1 MET B 4 -21.906 -2.777 12.825 1.00 0.61 H new ATOM 0 HE2 MET B 4 -23.076 -2.433 14.121 1.00 0.61 H new ATOM 0 HE3 MET B 4 -23.616 -3.227 12.623 1.00 0.61 H new ATOM 1469 N THR B 5 -27.957 1.492 13.946 1.00 0.18 N ATOM 1470 CA THR B 5 -28.421 2.778 13.447 1.00 0.33 C ATOM 1471 C THR B 5 -27.242 3.703 13.158 1.00 0.22 C ATOM 1472 O THR B 5 -27.414 4.866 12.787 1.00 0.16 O ATOM 1473 CB THR B 5 -29.357 3.450 14.462 1.00 0.59 C ATOM 1474 OG1 THR B 5 -29.097 2.922 15.775 1.00 0.29 O ATOM 1475 CG2 THR B 5 -30.814 3.216 14.088 1.00 0.99 C ATOM 0 H THR B 5 -27.869 1.442 14.961 1.00 0.18 H new ATOM 0 HA THR B 5 -28.968 2.596 12.522 1.00 0.33 H new ATOM 0 HB THR B 5 -29.170 4.524 14.455 1.00 0.59 H new ATOM 0 HG1 THR B 5 -29.693 3.351 16.424 1.00 0.29 H new ATOM 0 HG21 THR B 5 -31.460 3.701 14.820 1.00 0.99 H new ATOM 0 HG22 THR B 5 -31.008 3.634 13.100 1.00 0.99 H new ATOM 0 HG23 THR B 5 -31.019 2.146 14.075 1.00 0.99 H new ATOM 1483 N GLU B 6 -26.041 3.178 13.339 1.00 0.23 N ATOM 1484 CA GLU B 6 -24.826 3.935 13.101 1.00 0.17 C ATOM 1485 C GLU B 6 -24.272 3.606 11.717 1.00 0.23 C ATOM 1486 O GLU B 6 -24.508 2.517 11.190 1.00 0.52 O ATOM 1487 CB GLU B 6 -23.795 3.607 14.193 1.00 0.15 C ATOM 1488 CG GLU B 6 -22.582 4.524 14.198 1.00 0.15 C ATOM 1489 CD GLU B 6 -22.958 5.983 14.042 1.00 1.15 C ATOM 1490 OE1 GLU B 6 -23.336 6.623 15.044 1.00 1.76 O ATOM 1491 OE2 GLU B 6 -22.891 6.496 12.909 1.00 1.72 O1- ATOM 0 H GLU B 6 -25.883 2.221 13.653 1.00 0.23 H new ATOM 0 HA GLU B 6 -25.046 5.002 13.137 1.00 0.17 H new ATOM 0 HB2 GLU B 6 -24.283 3.662 15.166 1.00 0.15 H new ATOM 0 HB3 GLU B 6 -23.459 2.578 14.063 1.00 0.15 H new ATOM 0 HG2 GLU B 6 -22.034 4.391 15.131 1.00 0.15 H new ATOM 0 HG3 GLU B 6 -21.910 4.237 13.389 1.00 0.15 H new ATOM 1498 N GLN B 7 -23.552 4.549 11.130 1.00 0.15 N ATOM 1499 CA GLN B 7 -22.962 4.353 9.818 1.00 0.22 C ATOM 1500 C GLN B 7 -21.442 4.473 9.903 1.00 0.22 C ATOM 1501 O GLN B 7 -20.880 5.549 9.698 1.00 0.45 O ATOM 1502 CB GLN B 7 -23.524 5.367 8.821 1.00 0.57 C ATOM 1503 CG GLN B 7 -23.256 5.008 7.366 1.00 0.48 C ATOM 1504 CD GLN B 7 -23.651 6.112 6.400 1.00 0.33 C ATOM 1505 OE1 GLN B 7 -23.035 6.281 5.350 1.00 0.26 O ATOM 1506 NE2 GLN B 7 -24.685 6.869 6.737 1.00 0.86 N ATOM 0 H GLN B 7 -23.362 5.461 11.545 1.00 0.15 H new ATOM 0 HA GLN B 7 -23.215 3.352 9.467 1.00 0.22 H new ATOM 0 HB2 GLN B 7 -24.600 5.454 8.972 1.00 0.57 H new ATOM 0 HB3 GLN B 7 -23.093 6.346 9.030 1.00 0.57 H new ATOM 0 HG2 GLN B 7 -22.196 4.786 7.242 1.00 0.48 H new ATOM 0 HG3 GLN B 7 -23.804 4.100 7.115 1.00 0.48 H new ATOM 0 HE21 GLN B 7 -25.174 6.702 7.616 1.00 0.86 H new ATOM 0 HE22 GLN B 7 -24.992 7.619 6.117 1.00 0.86 H new ATOM 1515 N PRO B 8 -20.760 3.374 10.254 1.00 0.27 N ATOM 1516 CA PRO B 8 -19.307 3.336 10.365 1.00 0.51 C ATOM 1517 C PRO B 8 -18.646 3.106 9.006 1.00 0.35 C ATOM 1518 O PRO B 8 -19.301 3.197 7.966 1.00 0.14 O ATOM 1519 CB PRO B 8 -19.048 2.137 11.303 1.00 0.80 C ATOM 1520 CG PRO B 8 -20.395 1.564 11.634 1.00 0.79 C ATOM 1521 CD PRO B 8 -21.342 2.073 10.587 1.00 0.38 C ATOM 0 HA PRO B 8 -18.894 4.274 10.737 1.00 0.51 H new ATOM 0 HB2 PRO B 8 -18.417 1.392 10.817 1.00 0.80 H new ATOM 0 HB3 PRO B 8 -18.528 2.455 12.207 1.00 0.80 H new ATOM 0 HG2 PRO B 8 -20.364 0.474 11.633 1.00 0.79 H new ATOM 0 HG3 PRO B 8 -20.714 1.873 12.629 1.00 0.79 H new ATOM 0 HD2 PRO B 8 -21.386 1.412 9.721 1.00 0.38 H new ATOM 0 HD3 PRO B 8 -22.359 2.167 10.968 1.00 0.38 H new ATOM 1529 N LYS B 9 -17.350 2.818 9.020 1.00 0.47 N ATOM 1530 CA LYS B 9 -16.614 2.566 7.792 1.00 0.33 C ATOM 1531 C LYS B 9 -17.106 1.270 7.161 1.00 0.35 C ATOM 1532 O LYS B 9 -16.955 0.191 7.737 1.00 0.52 O ATOM 1533 CB LYS B 9 -15.111 2.490 8.070 1.00 0.23 C ATOM 1534 CG LYS B 9 -14.538 3.777 8.638 1.00 0.28 C ATOM 1535 CD LYS B 9 -13.032 3.689 8.824 1.00 0.35 C ATOM 1536 CE LYS B 9 -12.658 2.963 10.108 1.00 0.69 C ATOM 1537 NZ LYS B 9 -13.024 3.740 11.322 1.00 0.89 N1+ ATOM 0 H LYS B 9 -16.789 2.754 9.869 1.00 0.47 H new ATOM 0 HA LYS B 9 -16.787 3.389 7.099 1.00 0.33 H new ATOM 0 HB2 LYS B 9 -14.919 1.676 8.769 1.00 0.23 H new ATOM 0 HB3 LYS B 9 -14.589 2.246 7.145 1.00 0.23 H new ATOM 0 HG2 LYS B 9 -14.774 4.606 7.971 1.00 0.28 H new ATOM 0 HG3 LYS B 9 -15.011 3.994 9.596 1.00 0.28 H new ATOM 0 HD2 LYS B 9 -12.591 3.170 7.973 1.00 0.35 H new ATOM 0 HD3 LYS B 9 -12.609 4.694 8.839 1.00 0.35 H new ATOM 0 HE2 LYS B 9 -13.158 1.995 10.134 1.00 0.69 H new ATOM 0 HE3 LYS B 9 -11.586 2.768 10.114 1.00 0.69 H new ATOM 0 HZ1 LYS B 9 -12.496 3.375 12.140 1.00 0.89 H new ATOM 0 HZ2 LYS B 9 -12.788 4.742 11.177 1.00 0.89 H new ATOM 0 HZ3 LYS B 9 -14.045 3.647 11.499 1.00 0.89 H new ATOM 1551 N THR B 10 -17.713 1.384 5.987 1.00 0.33 N ATOM 1552 CA THR B 10 -18.252 0.233 5.288 1.00 0.31 C ATOM 1553 C THR B 10 -17.144 -0.672 4.748 1.00 0.23 C ATOM 1554 O THR B 10 -16.010 -0.235 4.522 1.00 0.23 O ATOM 1555 CB THR B 10 -19.190 0.669 4.136 1.00 0.36 C ATOM 1556 OG1 THR B 10 -20.016 -0.429 3.729 1.00 0.42 O ATOM 1557 CG2 THR B 10 -18.404 1.189 2.938 1.00 0.28 C ATOM 0 H THR B 10 -17.843 2.270 5.499 1.00 0.33 H new ATOM 0 HA THR B 10 -18.831 -0.338 6.014 1.00 0.31 H new ATOM 0 HB THR B 10 -19.815 1.480 4.510 1.00 0.36 H new ATOM 0 HG1 THR B 10 -20.606 -0.142 3.001 1.00 0.42 H new ATOM 0 HG21 THR B 10 -19.096 1.485 2.150 1.00 0.28 H new ATOM 0 HG22 THR B 10 -17.808 2.050 3.240 1.00 0.28 H new ATOM 0 HG23 THR B 10 -17.745 0.404 2.566 1.00 0.28 H new ATOM 1565 N ARG B 11 -17.481 -1.940 4.554 1.00 0.25 N ATOM 1566 CA ARG B 11 -16.537 -2.919 4.040 1.00 0.21 C ATOM 1567 C ARG B 11 -16.962 -3.362 2.645 1.00 0.27 C ATOM 1568 O ARG B 11 -18.155 -3.443 2.353 1.00 0.53 O ATOM 1569 CB ARG B 11 -16.447 -4.129 4.978 1.00 0.24 C ATOM 1570 CG ARG B 11 -17.786 -4.803 5.238 1.00 0.31 C ATOM 1571 CD ARG B 11 -17.621 -6.110 5.998 1.00 0.68 C ATOM 1572 NE ARG B 11 -18.182 -7.246 5.259 1.00 1.23 N ATOM 1573 CZ ARG B 11 -18.780 -8.293 5.832 1.00 1.21 C ATOM 1574 NH1 ARG B 11 -18.890 -8.365 7.153 1.00 1.36 N1+ ATOM 1575 NH2 ARG B 11 -19.266 -9.272 5.081 1.00 1.72 N ATOM 0 H ARG B 11 -18.410 -2.315 4.747 1.00 0.25 H new ATOM 0 HA ARG B 11 -15.551 -2.458 3.983 1.00 0.21 H new ATOM 0 HB2 ARG B 11 -15.760 -4.859 4.550 1.00 0.24 H new ATOM 0 HB3 ARG B 11 -16.021 -3.809 5.929 1.00 0.24 H new ATOM 0 HG2 ARG B 11 -18.428 -4.130 5.807 1.00 0.31 H new ATOM 0 HG3 ARG B 11 -18.287 -4.995 4.289 1.00 0.31 H new ATOM 0 HD2 ARG B 11 -16.563 -6.288 6.189 1.00 0.68 H new ATOM 0 HD3 ARG B 11 -18.111 -6.030 6.968 1.00 0.68 H new ATOM 0 HE ARG B 11 -18.111 -7.235 4.242 1.00 1.23 H new ATOM 0 HH11 ARG B 11 -18.516 -7.617 7.737 1.00 1.36 H new ATOM 0 HH12 ARG B 11 -19.348 -9.168 7.584 1.00 1.36 H new ATOM 0 HH21 ARG B 11 -19.183 -9.225 4.065 1.00 1.72 H new ATOM 0 HH22 ARG B 11 -19.723 -10.072 5.519 1.00 1.72 H new ATOM 1589 N VAL B 12 -15.996 -3.644 1.792 1.00 0.16 N ATOM 1590 CA VAL B 12 -16.292 -4.063 0.433 1.00 0.15 C ATOM 1591 C VAL B 12 -15.516 -5.325 0.070 1.00 0.12 C ATOM 1592 O VAL B 12 -14.389 -5.531 0.533 1.00 0.17 O ATOM 1593 CB VAL B 12 -15.971 -2.941 -0.583 1.00 0.19 C ATOM 1594 CG1 VAL B 12 -14.477 -2.644 -0.616 1.00 0.13 C ATOM 1595 CG2 VAL B 12 -16.490 -3.296 -1.973 1.00 0.25 C ATOM 0 H VAL B 12 -15.002 -3.591 2.014 1.00 0.16 H new ATOM 0 HA VAL B 12 -17.359 -4.279 0.385 1.00 0.15 H new ATOM 0 HB VAL B 12 -16.484 -2.037 -0.256 1.00 0.19 H new ATOM 0 HG11 VAL B 12 -14.279 -1.852 -1.338 1.00 0.13 H new ATOM 0 HG12 VAL B 12 -14.148 -2.324 0.373 1.00 0.13 H new ATOM 0 HG13 VAL B 12 -13.934 -3.543 -0.906 1.00 0.13 H new ATOM 0 HG21 VAL B 12 -16.251 -2.490 -2.667 1.00 0.25 H new ATOM 0 HG22 VAL B 12 -16.020 -4.219 -2.312 1.00 0.25 H new ATOM 0 HG23 VAL B 12 -17.571 -3.433 -1.934 1.00 0.25 H new ATOM 1605 N SER B 13 -16.141 -6.178 -0.725 1.00 0.09 N ATOM 1606 CA SER B 13 -15.522 -7.412 -1.173 1.00 0.12 C ATOM 1607 C SER B 13 -15.056 -7.258 -2.617 1.00 0.18 C ATOM 1608 O SER B 13 -15.875 -7.096 -3.527 1.00 0.48 O ATOM 1609 CB SER B 13 -16.520 -8.565 -1.051 1.00 0.12 C ATOM 1610 OG SER B 13 -17.128 -8.572 0.234 1.00 0.38 O ATOM 0 H SER B 13 -17.088 -6.034 -1.076 1.00 0.09 H new ATOM 0 HA SER B 13 -14.657 -7.633 -0.548 1.00 0.12 H new ATOM 0 HB2 SER B 13 -17.286 -8.472 -1.820 1.00 0.12 H new ATOM 0 HB3 SER B 13 -16.010 -9.513 -1.222 1.00 0.12 H new ATOM 0 HG SER B 13 -16.451 -8.765 0.915 1.00 0.38 H new ATOM 1616 N VAL B 14 -13.746 -7.288 -2.825 1.00 0.14 N ATOM 1617 CA VAL B 14 -13.181 -7.143 -4.161 1.00 0.13 C ATOM 1618 C VAL B 14 -12.404 -8.387 -4.561 1.00 0.09 C ATOM 1619 O VAL B 14 -11.911 -9.125 -3.711 1.00 0.19 O ATOM 1620 CB VAL B 14 -12.260 -5.908 -4.284 1.00 0.15 C ATOM 1621 CG1 VAL B 14 -13.073 -4.623 -4.249 1.00 0.27 C ATOM 1622 CG2 VAL B 14 -11.190 -5.900 -3.197 1.00 0.17 C ATOM 0 H VAL B 14 -13.054 -7.411 -2.086 1.00 0.14 H new ATOM 0 HA VAL B 14 -14.026 -7.004 -4.835 1.00 0.13 H new ATOM 0 HB VAL B 14 -11.753 -5.968 -5.247 1.00 0.15 H new ATOM 0 HG11 VAL B 14 -12.404 -3.767 -4.337 1.00 0.27 H new ATOM 0 HG12 VAL B 14 -13.781 -4.617 -5.078 1.00 0.27 H new ATOM 0 HG13 VAL B 14 -13.618 -4.563 -3.307 1.00 0.27 H new ATOM 0 HG21 VAL B 14 -10.560 -5.018 -3.313 1.00 0.17 H new ATOM 0 HG22 VAL B 14 -11.667 -5.879 -2.217 1.00 0.17 H new ATOM 0 HG23 VAL B 14 -10.577 -6.797 -3.283 1.00 0.17 H new ATOM 1632 N ARG B 15 -12.293 -8.609 -5.862 1.00 0.17 N ATOM 1633 CA ARG B 15 -11.594 -9.773 -6.380 1.00 0.12 C ATOM 1634 C ARG B 15 -10.164 -9.426 -6.783 1.00 0.08 C ATOM 1635 O ARG B 15 -9.938 -8.526 -7.596 1.00 0.12 O ATOM 1636 CB ARG B 15 -12.351 -10.344 -7.575 1.00 0.19 C ATOM 1637 CG ARG B 15 -11.843 -11.701 -8.033 1.00 0.32 C ATOM 1638 CD ARG B 15 -12.751 -12.301 -9.090 1.00 0.37 C ATOM 1639 NE ARG B 15 -14.144 -12.351 -8.649 1.00 0.23 N ATOM 1640 CZ ARG B 15 -14.803 -13.473 -8.378 1.00 0.17 C ATOM 1641 NH1 ARG B 15 -14.209 -14.653 -8.515 1.00 0.20 N1+ ATOM 1642 NH2 ARG B 15 -16.067 -13.413 -7.989 1.00 0.33 N ATOM 0 H ARG B 15 -12.680 -7.996 -6.579 1.00 0.17 H new ATOM 0 HA ARG B 15 -11.548 -10.522 -5.589 1.00 0.12 H new ATOM 0 HB2 ARG B 15 -13.406 -10.430 -7.317 1.00 0.19 H new ATOM 0 HB3 ARG B 15 -12.282 -9.642 -8.406 1.00 0.19 H new ATOM 0 HG2 ARG B 15 -10.834 -11.598 -8.433 1.00 0.32 H new ATOM 0 HG3 ARG B 15 -11.780 -12.375 -7.179 1.00 0.32 H new ATOM 0 HD2 ARG B 15 -12.681 -11.713 -10.005 1.00 0.37 H new ATOM 0 HD3 ARG B 15 -12.411 -13.308 -9.332 1.00 0.37 H new ATOM 0 HE ARG B 15 -14.642 -11.468 -8.542 1.00 0.23 H new ATOM 0 HH11 ARG B 15 -13.240 -14.703 -8.830 1.00 0.20 H new ATOM 0 HH12 ARG B 15 -14.722 -15.509 -8.305 1.00 0.20 H new ATOM 0 HH21 ARG B 15 -16.530 -12.509 -7.899 1.00 0.33 H new ATOM 0 HH22 ARG B 15 -16.577 -14.271 -7.780 1.00 0.33 H new ATOM 1656 N ILE B 16 -9.207 -10.139 -6.204 1.00 0.03 N ATOM 1657 CA ILE B 16 -7.798 -9.934 -6.503 1.00 0.08 C ATOM 1658 C ILE B 16 -7.119 -11.288 -6.693 1.00 0.13 C ATOM 1659 O ILE B 16 -7.261 -12.180 -5.854 1.00 0.15 O ATOM 1660 CB ILE B 16 -7.069 -9.163 -5.375 1.00 0.10 C ATOM 1661 CG1 ILE B 16 -7.867 -7.927 -4.952 1.00 0.11 C ATOM 1662 CG2 ILE B 16 -5.671 -8.760 -5.828 1.00 0.15 C ATOM 1663 CD1 ILE B 16 -7.476 -7.390 -3.595 1.00 0.15 C ATOM 0 H ILE B 16 -9.385 -10.872 -5.517 1.00 0.03 H new ATOM 0 HA ILE B 16 -7.738 -9.338 -7.414 1.00 0.08 H new ATOM 0 HB ILE B 16 -6.983 -9.824 -4.512 1.00 0.10 H new ATOM 0 HG12 ILE B 16 -7.729 -7.143 -5.697 1.00 0.11 H new ATOM 0 HG13 ILE B 16 -8.928 -8.175 -4.943 1.00 0.11 H new ATOM 0 HG21 ILE B 16 -5.170 -8.219 -5.025 1.00 0.15 H new ATOM 0 HG22 ILE B 16 -5.097 -9.653 -6.076 1.00 0.15 H new ATOM 0 HG23 ILE B 16 -5.744 -8.119 -6.707 1.00 0.15 H new ATOM 0 HD11 ILE B 16 -8.082 -6.515 -3.361 1.00 0.15 H new ATOM 0 HD12 ILE B 16 -7.640 -8.158 -2.839 1.00 0.15 H new ATOM 0 HD13 ILE B 16 -6.423 -7.109 -3.604 1.00 0.15 H new ATOM 1675 N TYR B 17 -6.419 -11.446 -7.813 1.00 0.18 N ATOM 1676 CA TYR B 17 -5.707 -12.685 -8.134 1.00 0.25 C ATOM 1677 C TYR B 17 -6.670 -13.868 -8.253 1.00 0.24 C ATOM 1678 O TYR B 17 -6.269 -15.027 -8.122 1.00 0.27 O ATOM 1679 CB TYR B 17 -4.637 -12.978 -7.075 1.00 0.29 C ATOM 1680 CG TYR B 17 -3.331 -13.486 -7.647 1.00 0.23 C ATOM 1681 CD1 TYR B 17 -2.654 -12.767 -8.621 1.00 0.27 C ATOM 1682 CD2 TYR B 17 -2.775 -14.681 -7.207 1.00 0.22 C ATOM 1683 CE1 TYR B 17 -1.458 -13.224 -9.144 1.00 0.31 C ATOM 1684 CE2 TYR B 17 -1.579 -15.142 -7.722 1.00 0.20 C ATOM 1685 CZ TYR B 17 -0.923 -14.412 -8.689 1.00 0.26 C ATOM 1686 OH TYR B 17 0.267 -14.865 -9.204 1.00 0.34 O ATOM 0 H TYR B 17 -6.328 -10.721 -8.525 1.00 0.18 H new ATOM 0 HA TYR B 17 -5.222 -12.548 -9.100 1.00 0.25 H new ATOM 0 HB2 TYR B 17 -4.444 -12.068 -6.506 1.00 0.29 H new ATOM 0 HB3 TYR B 17 -5.027 -13.716 -6.373 1.00 0.29 H new ATOM 0 HD1 TYR B 17 -3.068 -11.835 -8.977 1.00 0.27 H new ATOM 0 HD2 TYR B 17 -3.286 -15.258 -6.451 1.00 0.22 H new ATOM 0 HE1 TYR B 17 -0.945 -12.654 -9.905 1.00 0.31 H new ATOM 0 HE2 TYR B 17 -1.159 -16.072 -7.368 1.00 0.20 H new ATOM 0 HH TYR B 17 0.506 -15.714 -8.777 1.00 0.34 H new ATOM 1696 N GLY B 18 -7.940 -13.573 -8.506 1.00 0.21 N ATOM 1697 CA GLY B 18 -8.934 -14.623 -8.650 1.00 0.22 C ATOM 1698 C GLY B 18 -9.633 -14.971 -7.349 1.00 0.22 C ATOM 1699 O GLY B 18 -10.518 -15.830 -7.323 1.00 0.24 O ATOM 0 H GLY B 18 -8.300 -12.625 -8.614 1.00 0.21 H new ATOM 0 HA2 GLY B 18 -9.679 -14.311 -9.382 1.00 0.22 H new ATOM 0 HA3 GLY B 18 -8.453 -15.517 -9.046 1.00 0.22 H new ATOM 1703 N GLN B 19 -9.240 -14.320 -6.264 1.00 0.20 N ATOM 1704 CA GLN B 19 -9.846 -14.576 -4.963 1.00 0.21 C ATOM 1705 C GLN B 19 -10.615 -13.350 -4.489 1.00 0.18 C ATOM 1706 O GLN B 19 -10.321 -12.232 -4.905 1.00 0.13 O ATOM 1707 CB GLN B 19 -8.774 -14.956 -3.942 1.00 0.22 C ATOM 1708 CG GLN B 19 -8.229 -16.364 -4.118 1.00 0.56 C ATOM 1709 CD GLN B 19 -9.209 -17.422 -3.650 1.00 0.86 C ATOM 1710 OE1 GLN B 19 -9.995 -17.193 -2.733 1.00 0.81 O ATOM 1711 NE2 GLN B 19 -9.168 -18.589 -4.271 1.00 1.36 N ATOM 0 H GLN B 19 -8.506 -13.612 -6.257 1.00 0.20 H new ATOM 0 HA GLN B 19 -10.542 -15.409 -5.062 1.00 0.21 H new ATOM 0 HB2 GLN B 19 -7.950 -14.246 -4.013 1.00 0.22 H new ATOM 0 HB3 GLN B 19 -9.191 -14.861 -2.939 1.00 0.22 H new ATOM 0 HG2 GLN B 19 -7.992 -16.531 -5.169 1.00 0.56 H new ATOM 0 HG3 GLN B 19 -7.297 -16.463 -3.561 1.00 0.56 H new ATOM 0 HE21 GLN B 19 -8.501 -18.741 -5.028 1.00 1.36 H new ATOM 0 HE22 GLN B 19 -9.803 -19.337 -3.993 1.00 1.36 H new ATOM 1720 N ASP B 20 -11.598 -13.563 -3.626 1.00 0.24 N ATOM 1721 CA ASP B 20 -12.403 -12.464 -3.105 1.00 0.24 C ATOM 1722 C ASP B 20 -11.912 -12.051 -1.722 1.00 0.23 C ATOM 1723 O ASP B 20 -11.735 -12.895 -0.842 1.00 0.23 O ATOM 1724 CB ASP B 20 -13.880 -12.867 -3.043 1.00 0.31 C ATOM 1725 CG ASP B 20 -14.754 -11.798 -2.417 1.00 0.41 C ATOM 1726 OD1 ASP B 20 -14.904 -10.716 -3.021 1.00 1.64 O ATOM 1727 OD2 ASP B 20 -15.316 -12.051 -1.331 1.00 0.39 O1- ATOM 0 H ASP B 20 -11.858 -14.483 -3.272 1.00 0.24 H new ATOM 0 HA ASP B 20 -12.300 -11.613 -3.779 1.00 0.24 H new ATOM 0 HB2 ASP B 20 -14.237 -13.078 -4.051 1.00 0.31 H new ATOM 0 HB3 ASP B 20 -13.977 -13.790 -2.471 1.00 0.31 H new ATOM 1732 N TYR B 21 -11.681 -10.757 -1.538 1.00 0.23 N ATOM 1733 CA TYR B 21 -11.199 -10.235 -0.266 1.00 0.22 C ATOM 1734 C TYR B 21 -12.081 -9.085 0.207 1.00 0.24 C ATOM 1735 O TYR B 21 -12.378 -8.168 -0.556 1.00 0.36 O ATOM 1736 CB TYR B 21 -9.751 -9.750 -0.401 1.00 0.19 C ATOM 1737 CG TYR B 21 -8.805 -10.804 -0.926 1.00 0.17 C ATOM 1738 CD1 TYR B 21 -8.249 -11.751 -0.077 1.00 0.16 C ATOM 1739 CD2 TYR B 21 -8.474 -10.854 -2.271 1.00 0.17 C ATOM 1740 CE1 TYR B 21 -7.392 -12.718 -0.553 1.00 0.15 C ATOM 1741 CE2 TYR B 21 -7.617 -11.818 -2.756 1.00 0.16 C ATOM 1742 CZ TYR B 21 -7.079 -12.746 -1.895 1.00 0.15 C ATOM 1743 OH TYR B 21 -6.226 -13.707 -2.378 1.00 0.14 O ATOM 0 H TYR B 21 -11.821 -10.047 -2.257 1.00 0.23 H new ATOM 0 HA TYR B 21 -11.239 -11.039 0.469 1.00 0.22 H new ATOM 0 HB2 TYR B 21 -9.726 -8.888 -1.067 1.00 0.19 H new ATOM 0 HB3 TYR B 21 -9.398 -9.410 0.573 1.00 0.19 H new ATOM 0 HD1 TYR B 21 -8.493 -11.729 0.975 1.00 0.16 H new ATOM 0 HD2 TYR B 21 -8.894 -10.126 -2.949 1.00 0.17 H new ATOM 0 HE1 TYR B 21 -6.968 -13.449 0.120 1.00 0.15 H new ATOM 0 HE2 TYR B 21 -7.369 -11.845 -3.807 1.00 0.16 H new ATOM 0 HH TYR B 21 -5.922 -13.454 -3.275 1.00 0.14 H new ATOM 1753 N THR B 22 -12.496 -9.137 1.462 1.00 0.18 N ATOM 1754 CA THR B 22 -13.338 -8.096 2.025 1.00 0.18 C ATOM 1755 C THR B 22 -12.546 -7.220 2.990 1.00 0.16 C ATOM 1756 O THR B 22 -12.069 -7.692 4.023 1.00 0.21 O ATOM 1757 CB THR B 22 -14.551 -8.698 2.756 1.00 0.20 C ATOM 1758 OG1 THR B 22 -15.256 -9.587 1.878 1.00 0.54 O ATOM 1759 CG2 THR B 22 -15.494 -7.604 3.234 1.00 0.26 C ATOM 0 H THR B 22 -12.263 -9.890 2.110 1.00 0.18 H new ATOM 0 HA THR B 22 -13.695 -7.483 1.198 1.00 0.18 H new ATOM 0 HB THR B 22 -14.188 -9.249 3.624 1.00 0.20 H new ATOM 0 HG1 THR B 22 -16.026 -9.969 2.348 1.00 0.54 H new ATOM 0 HG21 THR B 22 -16.343 -8.055 3.748 1.00 0.26 H new ATOM 0 HG22 THR B 22 -14.965 -6.942 3.919 1.00 0.26 H new ATOM 0 HG23 THR B 22 -15.850 -7.031 2.378 1.00 0.26 H new ATOM 1767 N ILE B 23 -12.410 -5.944 2.648 1.00 0.11 N ATOM 1768 CA ILE B 23 -11.680 -4.995 3.482 1.00 0.11 C ATOM 1769 C ILE B 23 -12.474 -3.705 3.635 1.00 0.14 C ATOM 1770 O ILE B 23 -13.549 -3.560 3.052 1.00 0.32 O ATOM 1771 CB ILE B 23 -10.257 -4.665 2.938 1.00 0.07 C ATOM 1772 CG1 ILE B 23 -10.292 -3.700 1.728 1.00 0.07 C ATOM 1773 CG2 ILE B 23 -9.488 -5.940 2.607 1.00 0.03 C ATOM 1774 CD1 ILE B 23 -10.890 -4.257 0.447 1.00 0.08 C ATOM 0 H ILE B 23 -12.797 -5.541 1.795 1.00 0.11 H new ATOM 0 HA ILE B 23 -11.551 -5.478 4.451 1.00 0.11 H new ATOM 0 HB ILE B 23 -9.727 -4.144 3.736 1.00 0.07 H new ATOM 0 HG12 ILE B 23 -10.857 -2.812 2.013 1.00 0.07 H new ATOM 0 HG13 ILE B 23 -9.273 -3.375 1.518 1.00 0.07 H new ATOM 0 HG21 ILE B 23 -8.499 -5.681 2.230 1.00 0.03 H new ATOM 0 HG22 ILE B 23 -9.386 -6.547 3.507 1.00 0.03 H new ATOM 0 HG23 ILE B 23 -10.029 -6.505 1.848 1.00 0.03 H new ATOM 0 HD11 ILE B 23 -10.861 -3.493 -0.330 1.00 0.08 H new ATOM 0 HD12 ILE B 23 -10.315 -5.125 0.124 1.00 0.08 H new ATOM 0 HD13 ILE B 23 -11.924 -4.553 0.627 1.00 0.08 H new ATOM 1786 N VAL B 24 -11.948 -2.776 4.419 1.00 0.16 N ATOM 1787 CA VAL B 24 -12.609 -1.499 4.645 1.00 0.17 C ATOM 1788 C VAL B 24 -12.485 -0.610 3.408 1.00 0.22 C ATOM 1789 O VAL B 24 -11.382 -0.376 2.910 1.00 0.28 O ATOM 1790 CB VAL B 24 -12.018 -0.771 5.872 1.00 0.19 C ATOM 1791 CG1 VAL B 24 -12.667 0.593 6.064 1.00 0.20 C ATOM 1792 CG2 VAL B 24 -12.178 -1.615 7.129 1.00 0.18 C ATOM 0 H VAL B 24 -11.061 -2.883 4.912 1.00 0.16 H new ATOM 0 HA VAL B 24 -13.662 -1.701 4.840 1.00 0.17 H new ATOM 0 HB VAL B 24 -10.954 -0.620 5.689 1.00 0.19 H new ATOM 0 HG11 VAL B 24 -12.232 1.084 6.935 1.00 0.20 H new ATOM 0 HG12 VAL B 24 -12.495 1.206 5.179 1.00 0.20 H new ATOM 0 HG13 VAL B 24 -13.739 0.468 6.216 1.00 0.20 H new ATOM 0 HG21 VAL B 24 -11.755 -1.083 7.981 1.00 0.18 H new ATOM 0 HG22 VAL B 24 -13.236 -1.804 7.308 1.00 0.18 H new ATOM 0 HG23 VAL B 24 -11.657 -2.564 6.999 1.00 0.18 H new ATOM 1802 N GLY B 25 -13.615 -0.115 2.920 1.00 0.21 N ATOM 1803 CA GLY B 25 -13.607 0.726 1.742 1.00 0.27 C ATOM 1804 C GLY B 25 -14.336 2.032 1.964 1.00 0.07 C ATOM 1805 O GLY B 25 -15.201 2.414 1.176 1.00 0.28 O ATOM 0 H GLY B 25 -14.538 -0.282 3.321 1.00 0.21 H new ATOM 0 HA2 GLY B 25 -12.577 0.932 1.453 1.00 0.27 H new ATOM 0 HA3 GLY B 25 -14.070 0.191 0.913 1.00 0.27 H new ATOM 1809 N ALA B 26 -13.987 2.720 3.041 1.00 0.15 N ATOM 1810 CA ALA B 26 -14.610 3.994 3.368 1.00 0.36 C ATOM 1811 C ALA B 26 -13.980 5.115 2.551 1.00 0.34 C ATOM 1812 O ALA B 26 -13.087 5.815 3.026 1.00 0.57 O ATOM 1813 CB ALA B 26 -14.488 4.278 4.857 1.00 0.61 C ATOM 0 H ALA B 26 -13.274 2.417 3.705 1.00 0.15 H new ATOM 0 HA ALA B 26 -15.669 3.940 3.117 1.00 0.36 H new ATOM 0 HB1 ALA B 26 -14.959 5.234 5.085 1.00 0.61 H new ATOM 0 HB2 ALA B 26 -14.983 3.487 5.420 1.00 0.61 H new ATOM 0 HB3 ALA B 26 -13.435 4.317 5.135 1.00 0.61 H new ATOM 1819 N GLU B 27 -14.432 5.252 1.311 1.00 0.08 N ATOM 1820 CA GLU B 27 -13.926 6.271 0.403 1.00 0.06 C ATOM 1821 C GLU B 27 -14.988 6.588 -0.657 1.00 0.07 C ATOM 1822 O GLU B 27 -15.755 7.538 -0.504 1.00 0.08 O ATOM 1823 CB GLU B 27 -12.598 5.786 -0.214 1.00 0.06 C ATOM 1824 CG GLU B 27 -12.125 6.526 -1.463 1.00 0.97 C ATOM 1825 CD GLU B 27 -12.283 8.026 -1.370 1.00 1.82 C ATOM 1826 OE1 GLU B 27 -11.693 8.643 -0.466 1.00 2.44 O1- ATOM 1827 OE2 GLU B 27 -13.006 8.591 -2.220 1.00 2.18 O ATOM 0 H GLU B 27 -15.159 4.660 0.908 1.00 0.08 H new ATOM 0 HA GLU B 27 -13.720 7.198 0.939 1.00 0.06 H new ATOM 0 HB2 GLU B 27 -11.819 5.863 0.545 1.00 0.06 H new ATOM 0 HB3 GLU B 27 -12.700 4.729 -0.460 1.00 0.06 H new ATOM 0 HG2 GLU B 27 -11.076 6.289 -1.641 1.00 0.97 H new ATOM 0 HG3 GLU B 27 -12.684 6.162 -2.325 1.00 0.97 H new ATOM 1834 N SER B 28 -15.043 5.779 -1.711 1.00 0.08 N ATOM 1835 CA SER B 28 -16.016 5.955 -2.783 1.00 0.11 C ATOM 1836 C SER B 28 -16.177 4.630 -3.519 1.00 0.14 C ATOM 1837 O SER B 28 -15.186 3.937 -3.759 1.00 0.14 O ATOM 1838 CB SER B 28 -15.578 7.050 -3.769 1.00 0.16 C ATOM 1839 OG SER B 28 -15.476 8.315 -3.138 1.00 0.98 O ATOM 0 H SER B 28 -14.416 4.986 -1.845 1.00 0.08 H new ATOM 0 HA SER B 28 -16.965 6.266 -2.347 1.00 0.11 H new ATOM 0 HB2 SER B 28 -14.616 6.783 -4.205 1.00 0.16 H new ATOM 0 HB3 SER B 28 -16.294 7.109 -4.589 1.00 0.16 H new ATOM 0 HG SER B 28 -14.577 8.422 -2.762 1.00 0.98 H new ATOM 1845 N PRO B 29 -17.420 4.262 -3.874 1.00 0.17 N ATOM 1846 CA PRO B 29 -17.720 3.005 -4.567 1.00 0.21 C ATOM 1847 C PRO B 29 -16.827 2.742 -5.785 1.00 0.18 C ATOM 1848 O PRO B 29 -16.344 1.627 -5.973 1.00 0.20 O ATOM 1849 CB PRO B 29 -19.191 3.146 -4.986 1.00 0.30 C ATOM 1850 CG PRO B 29 -19.585 4.553 -4.671 1.00 0.28 C ATOM 1851 CD PRO B 29 -18.642 5.029 -3.604 1.00 0.18 C ATOM 0 HA PRO B 29 -17.533 2.152 -3.915 1.00 0.21 H new ATOM 0 HB2 PRO B 29 -19.314 2.937 -6.049 1.00 0.30 H new ATOM 0 HB3 PRO B 29 -19.818 2.437 -4.446 1.00 0.30 H new ATOM 0 HG2 PRO B 29 -19.518 5.183 -5.558 1.00 0.28 H new ATOM 0 HG3 PRO B 29 -20.618 4.599 -4.325 1.00 0.28 H new ATOM 0 HD2 PRO B 29 -18.467 6.103 -3.670 1.00 0.18 H new ATOM 0 HD3 PRO B 29 -19.030 4.830 -2.605 1.00 0.18 H new ATOM 1859 N ALA B 30 -16.601 3.759 -6.611 1.00 0.18 N ATOM 1860 CA ALA B 30 -15.758 3.595 -7.792 1.00 0.16 C ATOM 1861 C ALA B 30 -14.284 3.527 -7.405 1.00 0.10 C ATOM 1862 O ALA B 30 -13.525 2.733 -7.960 1.00 0.05 O ATOM 1863 CB ALA B 30 -15.993 4.718 -8.794 1.00 0.20 C ATOM 0 H ALA B 30 -16.985 4.696 -6.487 1.00 0.18 H new ATOM 0 HA ALA B 30 -16.033 2.653 -8.266 1.00 0.16 H new ATOM 0 HB1 ALA B 30 -15.352 4.570 -9.663 1.00 0.20 H new ATOM 0 HB2 ALA B 30 -17.037 4.713 -9.108 1.00 0.20 H new ATOM 0 HB3 ALA B 30 -15.758 5.676 -8.329 1.00 0.20 H new ATOM 1869 N HIS B 31 -13.893 4.350 -6.439 1.00 0.15 N ATOM 1870 CA HIS B 31 -12.509 4.395 -5.974 1.00 0.13 C ATOM 1871 C HIS B 31 -12.054 3.035 -5.454 1.00 0.07 C ATOM 1872 O HIS B 31 -11.008 2.534 -5.848 1.00 0.05 O ATOM 1873 CB HIS B 31 -12.332 5.439 -4.866 1.00 0.20 C ATOM 1874 CG HIS B 31 -11.892 6.788 -5.355 1.00 0.38 C ATOM 1875 ND1 HIS B 31 -12.161 7.965 -4.686 1.00 0.76 N ATOM 1876 CD2 HIS B 31 -11.180 7.140 -6.450 1.00 1.42 C ATOM 1877 CE1 HIS B 31 -11.636 8.975 -5.349 1.00 0.48 C ATOM 1878 NE2 HIS B 31 -11.035 8.502 -6.422 1.00 1.22 N ATOM 0 H HIS B 31 -14.517 4.999 -5.960 1.00 0.15 H new ATOM 0 HA HIS B 31 -11.895 4.672 -6.831 1.00 0.13 H new ATOM 0 HB2 HIS B 31 -13.276 5.549 -4.332 1.00 0.20 H new ATOM 0 HB3 HIS B 31 -11.600 5.069 -4.148 1.00 0.20 H new ATOM 0 HD1 HIS B 31 -12.685 8.041 -3.814 1.00 0.76 H new ATOM 0 HD2 HIS B 31 -10.797 6.471 -7.206 1.00 1.42 H new ATOM 0 HE1 HIS B 31 -11.689 10.015 -5.062 1.00 0.48 H new ATOM 1887 N ILE B 32 -12.866 2.438 -4.589 1.00 0.08 N ATOM 1888 CA ILE B 32 -12.540 1.145 -3.983 1.00 0.08 C ATOM 1889 C ILE B 32 -12.492 0.008 -5.006 1.00 0.07 C ATOM 1890 O ILE B 32 -11.882 -1.029 -4.760 1.00 0.14 O ATOM 1891 CB ILE B 32 -13.528 0.781 -2.849 1.00 0.11 C ATOM 1892 CG1 ILE B 32 -14.947 0.564 -3.403 1.00 0.13 C ATOM 1893 CG2 ILE B 32 -13.514 1.871 -1.784 1.00 0.12 C ATOM 1894 CD1 ILE B 32 -15.997 0.282 -2.351 1.00 0.10 C ATOM 0 H ILE B 32 -13.759 2.828 -4.288 1.00 0.08 H new ATOM 0 HA ILE B 32 -11.541 1.260 -3.562 1.00 0.08 H new ATOM 0 HB ILE B 32 -13.210 -0.156 -2.393 1.00 0.11 H new ATOM 0 HG12 ILE B 32 -15.243 1.450 -3.965 1.00 0.13 H new ATOM 0 HG13 ILE B 32 -14.925 -0.267 -4.107 1.00 0.13 H new ATOM 0 HG21 ILE B 32 -14.211 1.611 -0.988 1.00 0.12 H new ATOM 0 HG22 ILE B 32 -12.509 1.963 -1.371 1.00 0.12 H new ATOM 0 HG23 ILE B 32 -13.811 2.820 -2.231 1.00 0.12 H new ATOM 0 HD11 ILE B 32 -16.965 0.142 -2.832 1.00 0.10 H new ATOM 0 HD12 ILE B 32 -15.730 -0.622 -1.804 1.00 0.10 H new ATOM 0 HD13 ILE B 32 -16.053 1.122 -1.659 1.00 0.10 H new ATOM 1906 N ARG B 33 -13.114 0.214 -6.161 1.00 0.07 N ATOM 1907 CA ARG B 33 -13.127 -0.806 -7.201 1.00 0.05 C ATOM 1908 C ARG B 33 -11.812 -0.812 -7.977 1.00 0.04 C ATOM 1909 O ARG B 33 -11.294 -1.875 -8.318 1.00 0.05 O ATOM 1910 CB ARG B 33 -14.304 -0.591 -8.149 1.00 0.07 C ATOM 1911 CG ARG B 33 -15.612 -1.156 -7.617 1.00 0.59 C ATOM 1912 CD ARG B 33 -16.814 -0.566 -8.333 1.00 0.36 C ATOM 1913 NE ARG B 33 -16.809 -0.868 -9.765 1.00 0.42 N ATOM 1914 CZ ARG B 33 -17.393 -0.106 -10.688 1.00 0.84 C ATOM 1915 NH1 ARG B 33 -18.012 1.013 -10.336 1.00 1.03 N1+ ATOM 1916 NH2 ARG B 33 -17.361 -0.458 -11.966 1.00 1.46 N ATOM 0 H ARG B 33 -13.612 1.072 -6.399 1.00 0.07 H new ATOM 0 HA ARG B 33 -13.242 -1.777 -6.719 1.00 0.05 H new ATOM 0 HB2 ARG B 33 -14.425 0.477 -8.332 1.00 0.07 H new ATOM 0 HB3 ARG B 33 -14.079 -1.056 -9.109 1.00 0.07 H new ATOM 0 HG2 ARG B 33 -15.615 -2.240 -7.735 1.00 0.59 H new ATOM 0 HG3 ARG B 33 -15.689 -0.951 -6.549 1.00 0.59 H new ATOM 0 HD2 ARG B 33 -17.728 -0.955 -7.885 1.00 0.36 H new ATOM 0 HD3 ARG B 33 -16.824 0.515 -8.192 1.00 0.36 H new ATOM 0 HE ARG B 33 -16.329 -1.713 -10.075 1.00 0.42 H new ATOM 0 HH11 ARG B 33 -18.042 1.293 -9.356 1.00 1.03 H new ATOM 0 HH12 ARG B 33 -18.458 1.594 -11.046 1.00 1.03 H new ATOM 0 HH21 ARG B 33 -16.887 -1.317 -12.247 1.00 1.46 H new ATOM 0 HH22 ARG B 33 -17.810 0.130 -12.668 1.00 1.46 H new ATOM 1930 N LEU B 34 -11.259 0.368 -8.233 1.00 0.06 N ATOM 1931 CA LEU B 34 -10.008 0.462 -8.976 1.00 0.09 C ATOM 1932 C LEU B 34 -8.824 0.052 -8.102 1.00 0.08 C ATOM 1933 O LEU B 34 -7.761 -0.298 -8.618 1.00 0.12 O ATOM 1934 CB LEU B 34 -9.801 1.873 -9.551 1.00 0.12 C ATOM 1935 CG LEU B 34 -9.624 3.006 -8.533 1.00 0.10 C ATOM 1936 CD1 LEU B 34 -8.150 3.228 -8.220 1.00 0.09 C ATOM 1937 CD2 LEU B 34 -10.249 4.288 -9.056 1.00 0.14 C ATOM 0 H LEU B 34 -11.651 1.263 -7.941 1.00 0.06 H new ATOM 0 HA LEU B 34 -10.069 -0.231 -9.815 1.00 0.09 H new ATOM 0 HB2 LEU B 34 -8.923 1.853 -10.196 1.00 0.12 H new ATOM 0 HB3 LEU B 34 -10.656 2.113 -10.184 1.00 0.12 H new ATOM 0 HG LEU B 34 -10.130 2.718 -7.612 1.00 0.10 H new ATOM 0 HD11 LEU B 34 -8.050 4.036 -7.496 1.00 0.09 H new ATOM 0 HD12 LEU B 34 -7.724 2.314 -7.805 1.00 0.09 H new ATOM 0 HD13 LEU B 34 -7.620 3.493 -9.135 1.00 0.09 H new ATOM 0 HD21 LEU B 34 -10.116 5.083 -8.323 1.00 0.14 H new ATOM 0 HD22 LEU B 34 -9.767 4.572 -9.991 1.00 0.14 H new ATOM 0 HD23 LEU B 34 -11.313 4.129 -9.230 1.00 0.14 H new ATOM 1949 N VAL B 35 -9.013 0.086 -6.785 1.00 0.05 N ATOM 1950 CA VAL B 35 -7.956 -0.295 -5.849 1.00 0.08 C ATOM 1951 C VAL B 35 -7.499 -1.723 -6.125 1.00 0.08 C ATOM 1952 O VAL B 35 -6.302 -2.002 -6.206 1.00 0.11 O ATOM 1953 CB VAL B 35 -8.424 -0.197 -4.378 1.00 0.09 C ATOM 1954 CG1 VAL B 35 -7.289 -0.546 -3.428 1.00 0.14 C ATOM 1955 CG2 VAL B 35 -8.959 1.188 -4.071 1.00 0.09 C ATOM 0 H VAL B 35 -9.886 0.373 -6.342 1.00 0.05 H new ATOM 0 HA VAL B 35 -7.131 0.402 -5.997 1.00 0.08 H new ATOM 0 HB VAL B 35 -9.230 -0.916 -4.235 1.00 0.09 H new ATOM 0 HG11 VAL B 35 -7.640 -0.471 -2.399 1.00 0.14 H new ATOM 0 HG12 VAL B 35 -6.951 -1.564 -3.623 1.00 0.14 H new ATOM 0 HG13 VAL B 35 -6.461 0.146 -3.581 1.00 0.14 H new ATOM 0 HG21 VAL B 35 -9.282 1.231 -3.031 1.00 0.09 H new ATOM 0 HG22 VAL B 35 -8.175 1.926 -4.239 1.00 0.09 H new ATOM 0 HG23 VAL B 35 -9.806 1.404 -4.723 1.00 0.09 H new ATOM 1965 N ALA B 36 -8.467 -2.614 -6.293 1.00 0.07 N ATOM 1966 CA ALA B 36 -8.183 -4.012 -6.569 1.00 0.07 C ATOM 1967 C ALA B 36 -7.449 -4.173 -7.892 1.00 0.09 C ATOM 1968 O ALA B 36 -6.494 -4.940 -7.992 1.00 0.09 O ATOM 1969 CB ALA B 36 -9.471 -4.816 -6.579 1.00 0.08 C ATOM 0 H ALA B 36 -9.461 -2.390 -6.242 1.00 0.07 H new ATOM 0 HA ALA B 36 -7.535 -4.389 -5.777 1.00 0.07 H new ATOM 0 HB1 ALA B 36 -9.245 -5.862 -6.787 1.00 0.08 H new ATOM 0 HB2 ALA B 36 -9.957 -4.736 -5.607 1.00 0.08 H new ATOM 0 HB3 ALA B 36 -10.136 -4.428 -7.351 1.00 0.08 H new ATOM 1975 N ALA B 37 -7.884 -3.422 -8.901 1.00 0.12 N ATOM 1976 CA ALA B 37 -7.272 -3.477 -10.222 1.00 0.15 C ATOM 1977 C ALA B 37 -5.821 -3.014 -10.166 1.00 0.17 C ATOM 1978 O ALA B 37 -4.976 -3.478 -10.935 1.00 0.19 O ATOM 1979 CB ALA B 37 -8.060 -2.629 -11.207 1.00 0.21 C ATOM 0 H ALA B 37 -8.662 -2.766 -8.826 1.00 0.12 H new ATOM 0 HA ALA B 37 -7.288 -4.512 -10.562 1.00 0.15 H new ATOM 0 HB1 ALA B 37 -7.590 -2.681 -12.189 1.00 0.21 H new ATOM 0 HB2 ALA B 37 -9.082 -3.003 -11.274 1.00 0.21 H new ATOM 0 HB3 ALA B 37 -8.074 -1.594 -10.866 1.00 0.21 H new ATOM 1985 N PHE B 38 -5.547 -2.090 -9.256 1.00 0.16 N ATOM 1986 CA PHE B 38 -4.202 -1.560 -9.071 1.00 0.18 C ATOM 1987 C PHE B 38 -3.303 -2.609 -8.414 1.00 0.15 C ATOM 1988 O PHE B 38 -2.179 -2.847 -8.859 1.00 0.16 O ATOM 1989 CB PHE B 38 -4.265 -0.279 -8.224 1.00 0.23 C ATOM 1990 CG PHE B 38 -2.975 0.087 -7.548 1.00 0.20 C ATOM 1991 CD1 PHE B 38 -1.858 0.433 -8.291 1.00 0.37 C ATOM 1992 CD2 PHE B 38 -2.880 0.085 -6.166 1.00 0.28 C ATOM 1993 CE1 PHE B 38 -0.673 0.772 -7.667 1.00 0.36 C ATOM 1994 CE2 PHE B 38 -1.699 0.422 -5.538 1.00 0.27 C ATOM 1995 CZ PHE B 38 -0.594 0.766 -6.289 1.00 0.14 C ATOM 0 H PHE B 38 -6.244 -1.689 -8.629 1.00 0.16 H new ATOM 0 HA PHE B 38 -3.774 -1.314 -10.043 1.00 0.18 H new ATOM 0 HB2 PHE B 38 -4.573 0.549 -8.863 1.00 0.23 H new ATOM 0 HB3 PHE B 38 -5.037 -0.399 -7.464 1.00 0.23 H new ATOM 0 HD1 PHE B 38 -1.914 0.438 -9.370 1.00 0.37 H new ATOM 0 HD2 PHE B 38 -3.741 -0.184 -5.573 1.00 0.28 H new ATOM 0 HE1 PHE B 38 0.191 1.041 -8.257 1.00 0.36 H new ATOM 0 HE2 PHE B 38 -1.639 0.417 -4.460 1.00 0.27 H new ATOM 0 HZ PHE B 38 0.332 1.030 -5.799 1.00 0.14 H new ATOM 2005 N VAL B 39 -3.818 -3.251 -7.373 1.00 0.14 N ATOM 2006 CA VAL B 39 -3.070 -4.275 -6.649 1.00 0.14 C ATOM 2007 C VAL B 39 -2.851 -5.510 -7.519 1.00 0.14 C ATOM 2008 O VAL B 39 -1.732 -6.017 -7.622 1.00 0.19 O ATOM 2009 CB VAL B 39 -3.801 -4.688 -5.353 1.00 0.15 C ATOM 2010 CG1 VAL B 39 -3.058 -5.810 -4.642 1.00 0.15 C ATOM 2011 CG2 VAL B 39 -3.962 -3.491 -4.430 1.00 0.22 C ATOM 0 H VAL B 39 -4.755 -3.081 -7.009 1.00 0.14 H new ATOM 0 HA VAL B 39 -2.103 -3.844 -6.389 1.00 0.14 H new ATOM 0 HB VAL B 39 -4.791 -5.055 -5.625 1.00 0.15 H new ATOM 0 HG11 VAL B 39 -3.594 -6.082 -3.733 1.00 0.15 H new ATOM 0 HG12 VAL B 39 -2.994 -6.678 -5.299 1.00 0.15 H new ATOM 0 HG13 VAL B 39 -2.053 -5.475 -4.385 1.00 0.15 H new ATOM 0 HG21 VAL B 39 -4.479 -3.799 -3.521 1.00 0.22 H new ATOM 0 HG22 VAL B 39 -2.980 -3.096 -4.172 1.00 0.22 H new ATOM 0 HG23 VAL B 39 -4.543 -2.719 -4.934 1.00 0.22 H new ATOM 2021 N ASP B 40 -3.925 -5.974 -8.154 1.00 0.14 N ATOM 2022 CA ASP B 40 -3.872 -7.155 -9.015 1.00 0.21 C ATOM 2023 C ASP B 40 -2.831 -6.973 -10.121 1.00 0.27 C ATOM 2024 O ASP B 40 -2.071 -7.894 -10.435 1.00 0.34 O ATOM 2025 CB ASP B 40 -5.249 -7.412 -9.628 1.00 0.21 C ATOM 2026 CG ASP B 40 -5.379 -8.791 -10.252 1.00 0.33 C ATOM 2027 OD1 ASP B 40 -4.742 -9.047 -11.296 1.00 0.47 O ATOM 2028 OD2 ASP B 40 -6.140 -9.621 -9.713 1.00 0.32 O1- ATOM 0 H ASP B 40 -4.849 -5.547 -8.088 1.00 0.14 H new ATOM 0 HA ASP B 40 -3.582 -8.013 -8.409 1.00 0.21 H new ATOM 0 HB2 ASP B 40 -6.010 -7.296 -8.856 1.00 0.21 H new ATOM 0 HB3 ASP B 40 -5.448 -6.656 -10.388 1.00 0.21 H new ATOM 2033 N ASP B 41 -2.795 -5.771 -10.687 1.00 0.28 N ATOM 2034 CA ASP B 41 -1.856 -5.439 -11.755 1.00 0.37 C ATOM 2035 C ASP B 41 -0.416 -5.482 -11.251 1.00 0.32 C ATOM 2036 O ASP B 41 0.468 -6.040 -11.907 1.00 0.32 O ATOM 2037 CB ASP B 41 -2.173 -4.052 -12.321 1.00 0.46 C ATOM 2038 CG ASP B 41 -1.160 -3.584 -13.346 1.00 0.78 C ATOM 2039 OD1 ASP B 41 -1.268 -3.987 -14.520 1.00 0.92 O ATOM 2040 OD2 ASP B 41 -0.272 -2.786 -12.985 1.00 1.11 O1- ATOM 0 H ASP B 41 -3.411 -5.003 -10.421 1.00 0.28 H new ATOM 0 HA ASP B 41 -1.963 -6.182 -12.545 1.00 0.37 H new ATOM 0 HB2 ASP B 41 -3.162 -4.070 -12.778 1.00 0.46 H new ATOM 0 HB3 ASP B 41 -2.213 -3.333 -11.503 1.00 0.46 H new ATOM 2045 N LYS B 42 -0.194 -4.913 -10.069 1.00 0.28 N ATOM 2046 CA LYS B 42 1.137 -4.880 -9.470 1.00 0.24 C ATOM 2047 C LYS B 42 1.644 -6.296 -9.205 1.00 0.20 C ATOM 2048 O LYS B 42 2.831 -6.577 -9.335 1.00 0.18 O ATOM 2049 CB LYS B 42 1.126 -4.069 -8.169 1.00 0.24 C ATOM 2050 CG LYS B 42 2.463 -3.420 -7.847 1.00 0.21 C ATOM 2051 CD LYS B 42 2.336 -1.913 -7.714 1.00 0.40 C ATOM 2052 CE LYS B 42 3.632 -1.211 -8.082 1.00 0.55 C ATOM 2053 NZ LYS B 42 3.814 -1.086 -9.557 1.00 0.48 N1+ ATOM 0 H LYS B 42 -0.919 -4.468 -9.507 1.00 0.28 H new ATOM 0 HA LYS B 42 1.813 -4.395 -10.175 1.00 0.24 H new ATOM 0 HB2 LYS B 42 0.363 -3.294 -8.240 1.00 0.24 H new ATOM 0 HB3 LYS B 42 0.841 -4.723 -7.345 1.00 0.24 H new ATOM 0 HG2 LYS B 42 2.856 -3.836 -6.919 1.00 0.21 H new ATOM 0 HG3 LYS B 42 3.181 -3.657 -8.632 1.00 0.21 H new ATOM 0 HD2 LYS B 42 1.532 -1.556 -8.358 1.00 0.40 H new ATOM 0 HD3 LYS B 42 2.061 -1.659 -6.690 1.00 0.40 H new ATOM 0 HE2 LYS B 42 3.644 -0.218 -7.632 1.00 0.55 H new ATOM 0 HE3 LYS B 42 4.473 -1.762 -7.661 1.00 0.55 H new ATOM 0 HZ1 LYS B 42 4.816 -1.229 -9.797 1.00 0.48 H new ATOM 0 HZ2 LYS B 42 3.236 -1.803 -10.040 1.00 0.48 H new ATOM 0 HZ3 LYS B 42 3.517 -0.138 -9.864 1.00 0.48 H new ATOM 2067 N MET B 43 0.735 -7.189 -8.848 1.00 0.21 N ATOM 2068 CA MET B 43 1.095 -8.578 -8.580 1.00 0.19 C ATOM 2069 C MET B 43 1.490 -9.281 -9.868 1.00 0.17 C ATOM 2070 O MET B 43 2.321 -10.186 -9.868 1.00 0.18 O ATOM 2071 CB MET B 43 -0.070 -9.318 -7.923 1.00 0.24 C ATOM 2072 CG MET B 43 -0.425 -8.792 -6.542 1.00 0.25 C ATOM 2073 SD MET B 43 -1.855 -9.625 -5.836 1.00 0.31 S ATOM 2074 CE MET B 43 -1.182 -11.255 -5.527 1.00 0.24 C ATOM 0 H MET B 43 -0.257 -6.980 -8.736 1.00 0.21 H new ATOM 0 HA MET B 43 1.945 -8.583 -7.898 1.00 0.19 H new ATOM 0 HB2 MET B 43 -0.946 -9.243 -8.567 1.00 0.24 H new ATOM 0 HB3 MET B 43 0.180 -10.376 -7.846 1.00 0.24 H new ATOM 0 HG2 MET B 43 0.430 -8.918 -5.878 1.00 0.25 H new ATOM 0 HG3 MET B 43 -0.625 -7.722 -6.604 1.00 0.25 H new ATOM 0 HE1 MET B 43 -1.888 -11.833 -4.930 1.00 0.24 H new ATOM 0 HE2 MET B 43 -1.008 -11.763 -6.476 1.00 0.24 H new ATOM 0 HE3 MET B 43 -0.240 -11.163 -4.986 1.00 0.24 H new ATOM 2084 N HIS B 44 0.906 -8.844 -10.972 1.00 0.16 N ATOM 2085 CA HIS B 44 1.190 -9.442 -12.266 1.00 0.19 C ATOM 2086 C HIS B 44 2.554 -9.002 -12.789 1.00 0.25 C ATOM 2087 O HIS B 44 3.258 -9.789 -13.418 1.00 0.61 O ATOM 2088 CB HIS B 44 0.099 -9.088 -13.281 1.00 0.26 C ATOM 2089 CG HIS B 44 -0.261 -10.225 -14.190 1.00 0.47 C ATOM 2090 ND1 HIS B 44 -1.486 -10.858 -14.154 1.00 0.54 N ATOM 2091 CD2 HIS B 44 0.450 -10.846 -15.165 1.00 1.09 C ATOM 2092 CE1 HIS B 44 -1.512 -11.816 -15.061 1.00 1.18 C ATOM 2093 NE2 HIS B 44 -0.353 -11.828 -15.688 1.00 1.53 N ATOM 0 H HIS B 44 0.233 -8.078 -10.998 1.00 0.16 H new ATOM 0 HA HIS B 44 1.206 -10.524 -12.132 1.00 0.19 H new ATOM 0 HB2 HIS B 44 -0.794 -8.764 -12.746 1.00 0.26 H new ATOM 0 HB3 HIS B 44 0.434 -8.243 -13.883 1.00 0.26 H new ATOM 0 HD2 HIS B 44 1.459 -10.611 -15.472 1.00 1.09 H new ATOM 0 HE1 HIS B 44 -2.343 -12.478 -15.256 1.00 1.18 H new ATOM 0 HE2 HIS B 44 -0.094 -12.465 -16.441 1.00 1.53 H new ATOM 2102 N GLU B 45 2.934 -7.757 -12.521 1.00 0.14 N ATOM 2103 CA GLU B 45 4.219 -7.241 -12.988 1.00 0.11 C ATOM 2104 C GLU B 45 5.383 -7.864 -12.216 1.00 0.07 C ATOM 2105 O GLU B 45 6.481 -8.017 -12.748 1.00 0.03 O ATOM 2106 CB GLU B 45 4.261 -5.710 -12.878 1.00 0.10 C ATOM 2107 CG GLU B 45 4.449 -5.192 -11.457 1.00 0.07 C ATOM 2108 CD GLU B 45 4.348 -3.684 -11.363 1.00 0.22 C ATOM 2109 OE1 GLU B 45 3.225 -3.167 -11.183 1.00 0.49 O ATOM 2110 OE2 GLU B 45 5.386 -3.007 -11.458 1.00 0.43 O1- ATOM 0 H GLU B 45 2.377 -7.090 -11.987 1.00 0.14 H new ATOM 0 HA GLU B 45 4.325 -7.518 -14.037 1.00 0.11 H new ATOM 0 HB2 GLU B 45 5.073 -5.334 -13.500 1.00 0.10 H new ATOM 0 HB3 GLU B 45 3.335 -5.302 -13.282 1.00 0.10 H new ATOM 0 HG2 GLU B 45 3.698 -5.643 -10.809 1.00 0.07 H new ATOM 0 HG3 GLU B 45 5.423 -5.510 -11.085 1.00 0.07 H new ATOM 2117 N PHE B 46 5.139 -8.236 -10.965 1.00 0.11 N ATOM 2118 CA PHE B 46 6.181 -8.832 -10.138 1.00 0.10 C ATOM 2119 C PHE B 46 6.196 -10.351 -10.269 1.00 0.10 C ATOM 2120 O PHE B 46 7.165 -11.007 -9.875 1.00 0.11 O ATOM 2121 CB PHE B 46 6.003 -8.423 -8.677 1.00 0.11 C ATOM 2122 CG PHE B 46 6.618 -7.092 -8.356 1.00 0.13 C ATOM 2123 CD1 PHE B 46 7.992 -6.963 -8.236 1.00 0.14 C ATOM 2124 CD2 PHE B 46 5.826 -5.969 -8.180 1.00 0.16 C ATOM 2125 CE1 PHE B 46 8.567 -5.740 -7.944 1.00 0.14 C ATOM 2126 CE2 PHE B 46 6.393 -4.742 -7.891 1.00 0.17 C ATOM 2127 CZ PHE B 46 7.765 -4.627 -7.774 1.00 0.15 C ATOM 0 H PHE B 46 4.235 -8.136 -10.503 1.00 0.11 H new ATOM 0 HA PHE B 46 7.142 -8.458 -10.492 1.00 0.10 H new ATOM 0 HB2 PHE B 46 4.939 -8.390 -8.443 1.00 0.11 H new ATOM 0 HB3 PHE B 46 6.447 -9.185 -8.036 1.00 0.11 H new ATOM 0 HD1 PHE B 46 8.622 -7.829 -8.372 1.00 0.14 H new ATOM 0 HD2 PHE B 46 4.753 -6.053 -8.270 1.00 0.16 H new ATOM 0 HE1 PHE B 46 9.639 -5.655 -7.849 1.00 0.14 H new ATOM 0 HE2 PHE B 46 5.764 -3.874 -7.757 1.00 0.17 H new ATOM 0 HZ PHE B 46 8.210 -3.669 -7.550 1.00 0.15 H new ATOM 2137 N SER B 47 5.139 -10.908 -10.845 1.00 0.09 N ATOM 2138 CA SER B 47 5.035 -12.351 -11.021 1.00 0.10 C ATOM 2139 C SER B 47 6.029 -12.843 -12.073 1.00 0.09 C ATOM 2140 O SER B 47 6.395 -14.015 -12.089 1.00 0.13 O ATOM 2141 CB SER B 47 3.602 -12.740 -11.409 1.00 0.13 C ATOM 2142 OG SER B 47 3.432 -14.151 -11.424 1.00 0.49 O ATOM 0 H SER B 47 4.340 -10.382 -11.199 1.00 0.09 H new ATOM 0 HA SER B 47 5.280 -12.830 -10.073 1.00 0.10 H new ATOM 0 HB2 SER B 47 2.899 -12.295 -10.704 1.00 0.13 H new ATOM 0 HB3 SER B 47 3.367 -12.334 -12.393 1.00 0.13 H new ATOM 0 HG SER B 47 2.509 -14.367 -11.673 1.00 0.49 H new ATOM 2148 N GLU B 48 6.474 -11.940 -12.943 1.00 0.13 N ATOM 2149 CA GLU B 48 7.430 -12.295 -13.985 1.00 0.12 C ATOM 2150 C GLU B 48 8.856 -12.254 -13.448 1.00 0.09 C ATOM 2151 O GLU B 48 9.799 -12.667 -14.124 1.00 0.07 O ATOM 2152 CB GLU B 48 7.299 -11.355 -15.188 1.00 0.15 C ATOM 2153 CG GLU B 48 7.757 -9.929 -14.912 1.00 0.17 C ATOM 2154 CD GLU B 48 8.732 -9.414 -15.952 1.00 0.71 C ATOM 2155 OE1 GLU B 48 8.345 -9.295 -17.129 1.00 0.76 O1- ATOM 2156 OE2 GLU B 48 9.893 -9.126 -15.593 1.00 1.67 O ATOM 0 H GLU B 48 6.188 -10.961 -12.946 1.00 0.13 H new ATOM 0 HA GLU B 48 7.207 -13.311 -14.309 1.00 0.12 H new ATOM 0 HB2 GLU B 48 7.881 -11.759 -16.017 1.00 0.15 H new ATOM 0 HB3 GLU B 48 6.258 -11.336 -15.509 1.00 0.15 H new ATOM 0 HG2 GLU B 48 6.887 -9.273 -14.879 1.00 0.17 H new ATOM 0 HG3 GLU B 48 8.225 -9.887 -13.929 1.00 0.17 H new ATOM 2163 N LYS B 49 9.010 -11.749 -12.233 1.00 0.10 N ATOM 2164 CA LYS B 49 10.325 -11.653 -11.616 1.00 0.10 C ATOM 2165 C LYS B 49 10.662 -12.967 -10.923 1.00 0.15 C ATOM 2166 O LYS B 49 11.757 -13.502 -11.090 1.00 0.23 O ATOM 2167 CB LYS B 49 10.381 -10.497 -10.606 1.00 0.09 C ATOM 2168 CG LYS B 49 9.801 -9.182 -11.120 1.00 0.12 C ATOM 2169 CD LYS B 49 10.666 -8.551 -12.202 1.00 0.05 C ATOM 2170 CE LYS B 49 11.853 -7.796 -11.618 1.00 1.11 C ATOM 2171 NZ LYS B 49 12.552 -6.984 -12.648 1.00 1.14 N1+ ATOM 0 H LYS B 49 8.244 -11.401 -11.656 1.00 0.10 H new ATOM 0 HA LYS B 49 11.058 -11.453 -12.398 1.00 0.10 H new ATOM 0 HB2 LYS B 49 9.841 -10.791 -9.706 1.00 0.09 H new ATOM 0 HB3 LYS B 49 11.419 -10.334 -10.316 1.00 0.09 H new ATOM 0 HG2 LYS B 49 8.801 -9.359 -11.515 1.00 0.12 H new ATOM 0 HG3 LYS B 49 9.697 -8.484 -10.289 1.00 0.12 H new ATOM 0 HD2 LYS B 49 11.027 -9.328 -12.876 1.00 0.05 H new ATOM 0 HD3 LYS B 49 10.060 -7.868 -12.798 1.00 0.05 H new ATOM 0 HE2 LYS B 49 11.510 -7.145 -10.814 1.00 1.11 H new ATOM 0 HE3 LYS B 49 12.554 -8.505 -11.177 1.00 1.11 H new ATOM 0 HZ1 LYS B 49 13.354 -6.485 -12.212 1.00 1.14 H new ATOM 0 HZ2 LYS B 49 12.902 -7.608 -13.403 1.00 1.14 H new ATOM 0 HZ3 LYS B 49 11.890 -6.290 -13.051 1.00 1.14 H new ATOM 2185 N GLN B 50 9.691 -13.477 -10.160 1.00 0.20 N ATOM 2186 CA GLN B 50 9.842 -14.732 -9.420 1.00 0.30 C ATOM 2187 C GLN B 50 11.061 -14.683 -8.493 1.00 0.13 C ATOM 2188 O GLN B 50 12.077 -15.317 -8.763 1.00 0.29 O ATOM 2189 CB GLN B 50 9.948 -15.914 -10.392 1.00 0.53 C ATOM 2190 CG GLN B 50 8.671 -16.165 -11.179 1.00 1.05 C ATOM 2191 CD GLN B 50 8.938 -16.612 -12.602 1.00 1.30 C ATOM 2192 OE1 GLN B 50 9.100 -15.790 -13.505 1.00 1.37 O ATOM 2193 NE2 GLN B 50 8.970 -17.918 -12.818 1.00 1.60 N ATOM 0 H GLN B 50 8.781 -13.033 -10.038 1.00 0.20 H new ATOM 0 HA GLN B 50 8.957 -14.869 -8.799 1.00 0.30 H new ATOM 0 HB2 GLN B 50 10.765 -15.729 -11.089 1.00 0.53 H new ATOM 0 HB3 GLN B 50 10.204 -16.814 -9.832 1.00 0.53 H new ATOM 0 HG2 GLN B 50 8.079 -16.925 -10.669 1.00 1.05 H new ATOM 0 HG3 GLN B 50 8.074 -15.253 -11.195 1.00 1.05 H new ATOM 0 HE21 GLN B 50 8.831 -18.567 -12.043 1.00 1.60 H new ATOM 0 HE22 GLN B 50 9.133 -18.275 -13.759 1.00 1.60 H new ATOM 2202 N PRO B 51 10.974 -13.904 -7.397 1.00 0.16 N ATOM 2203 CA PRO B 51 12.076 -13.771 -6.435 1.00 0.27 C ATOM 2204 C PRO B 51 12.500 -15.119 -5.844 1.00 0.20 C ATOM 2205 O PRO B 51 13.551 -15.655 -6.194 1.00 0.19 O ATOM 2206 CB PRO B 51 11.515 -12.842 -5.343 1.00 0.48 C ATOM 2207 CG PRO B 51 10.039 -12.774 -5.575 1.00 0.51 C ATOM 2208 CD PRO B 51 9.810 -13.081 -7.026 1.00 0.41 C ATOM 0 HA PRO B 51 12.976 -13.377 -6.908 1.00 0.27 H new ATOM 0 HB2 PRO B 51 11.736 -13.231 -4.349 1.00 0.48 H new ATOM 0 HB3 PRO B 51 11.965 -11.851 -5.405 1.00 0.48 H new ATOM 0 HG2 PRO B 51 9.515 -13.490 -4.942 1.00 0.51 H new ATOM 0 HG3 PRO B 51 9.654 -11.786 -5.324 1.00 0.51 H new ATOM 0 HD2 PRO B 51 8.874 -13.619 -7.179 1.00 0.41 H new ATOM 0 HD3 PRO B 51 9.756 -12.171 -7.624 1.00 0.41 H new ATOM 2216 N MET B 52 11.681 -15.669 -4.958 1.00 0.17 N ATOM 2217 CA MET B 52 11.985 -16.952 -4.337 1.00 0.11 C ATOM 2218 C MET B 52 11.022 -18.028 -4.826 1.00 0.09 C ATOM 2219 O MET B 52 10.962 -19.118 -4.261 1.00 0.08 O ATOM 2220 CB MET B 52 11.932 -16.848 -2.807 1.00 0.12 C ATOM 2221 CG MET B 52 10.602 -16.350 -2.256 1.00 0.18 C ATOM 2222 SD MET B 52 10.435 -14.555 -2.349 1.00 0.26 S ATOM 2223 CE MET B 52 11.759 -14.029 -1.258 1.00 0.43 C ATOM 0 H MET B 52 10.803 -15.249 -4.653 1.00 0.17 H new ATOM 0 HA MET B 52 12.998 -17.232 -4.627 1.00 0.11 H new ATOM 0 HB2 MET B 52 12.144 -17.829 -2.381 1.00 0.12 H new ATOM 0 HB3 MET B 52 12.724 -16.178 -2.473 1.00 0.12 H new ATOM 0 HG2 MET B 52 9.787 -16.815 -2.810 1.00 0.18 H new ATOM 0 HG3 MET B 52 10.503 -16.666 -1.218 1.00 0.18 H new ATOM 0 HE1 MET B 52 11.362 -13.347 -0.507 1.00 0.43 H new ATOM 0 HE2 MET B 52 12.192 -14.900 -0.765 1.00 0.43 H new ATOM 0 HE3 MET B 52 12.529 -13.521 -1.839 1.00 0.43 H new ATOM 2233 N LEU B 53 10.273 -17.703 -5.881 1.00 0.10 N ATOM 2234 CA LEU B 53 9.313 -18.633 -6.485 1.00 0.11 C ATOM 2235 C LEU B 53 8.270 -19.118 -5.473 1.00 0.08 C ATOM 2236 O LEU B 53 8.032 -20.319 -5.347 1.00 0.10 O ATOM 2237 CB LEU B 53 10.040 -19.841 -7.094 1.00 0.19 C ATOM 2238 CG LEU B 53 10.661 -19.621 -8.477 1.00 0.25 C ATOM 2239 CD1 LEU B 53 11.853 -18.674 -8.398 1.00 0.62 C ATOM 2240 CD2 LEU B 53 11.083 -20.954 -9.077 1.00 1.07 C ATOM 0 H LEU B 53 10.313 -16.793 -6.340 1.00 0.10 H new ATOM 0 HA LEU B 53 8.792 -18.087 -7.272 1.00 0.11 H new ATOM 0 HB2 LEU B 53 10.829 -20.150 -6.408 1.00 0.19 H new ATOM 0 HB3 LEU B 53 9.334 -20.669 -7.162 1.00 0.19 H new ATOM 0 HG LEU B 53 9.910 -19.163 -9.121 1.00 0.25 H new ATOM 0 HD11 LEU B 53 12.274 -18.536 -9.394 1.00 0.62 H new ATOM 0 HD12 LEU B 53 11.527 -17.711 -8.005 1.00 0.62 H new ATOM 0 HD13 LEU B 53 12.611 -19.097 -7.739 1.00 0.62 H new ATOM 0 HD21 LEU B 53 11.523 -20.787 -10.060 1.00 1.07 H new ATOM 0 HD22 LEU B 53 11.817 -21.430 -8.427 1.00 1.07 H new ATOM 0 HD23 LEU B 53 10.211 -21.601 -9.175 1.00 1.07 H new ATOM 2252 N ASP B 54 7.637 -18.187 -4.770 1.00 0.09 N ATOM 2253 CA ASP B 54 6.624 -18.541 -3.780 1.00 0.12 C ATOM 2254 C ASP B 54 5.459 -17.559 -3.855 1.00 0.10 C ATOM 2255 O ASP B 54 5.665 -16.345 -3.888 1.00 0.18 O ATOM 2256 CB ASP B 54 7.238 -18.550 -2.378 1.00 0.19 C ATOM 2257 CG ASP B 54 6.365 -19.245 -1.351 1.00 0.24 C ATOM 2258 OD1 ASP B 54 5.570 -20.130 -1.730 1.00 0.26 O ATOM 2259 OD2 ASP B 54 6.482 -18.919 -0.153 1.00 0.28 O1- ATOM 0 H ASP B 54 7.805 -17.185 -4.865 1.00 0.09 H new ATOM 0 HA ASP B 54 6.248 -19.541 -3.994 1.00 0.12 H new ATOM 0 HB2 ASP B 54 8.208 -19.045 -2.416 1.00 0.19 H new ATOM 0 HB3 ASP B 54 7.416 -17.523 -2.059 1.00 0.19 H new ATOM 2264 N VAL B 55 4.243 -18.094 -3.876 1.00 0.11 N ATOM 2265 CA VAL B 55 3.027 -17.285 -3.989 1.00 0.12 C ATOM 2266 C VAL B 55 2.852 -16.283 -2.833 1.00 0.08 C ATOM 2267 O VAL B 55 2.733 -15.082 -3.080 1.00 0.04 O ATOM 2268 CB VAL B 55 1.765 -18.174 -4.093 1.00 0.17 C ATOM 2269 CG1 VAL B 55 0.519 -17.328 -4.324 1.00 0.08 C ATOM 2270 CG2 VAL B 55 1.920 -19.202 -5.206 1.00 0.32 C ATOM 0 H VAL B 55 4.069 -19.097 -3.816 1.00 0.11 H new ATOM 0 HA VAL B 55 3.147 -16.710 -4.907 1.00 0.12 H new ATOM 0 HB VAL B 55 1.649 -18.702 -3.147 1.00 0.17 H new ATOM 0 HG11 VAL B 55 -0.354 -17.977 -4.393 1.00 0.08 H new ATOM 0 HG12 VAL B 55 0.391 -16.635 -3.493 1.00 0.08 H new ATOM 0 HG13 VAL B 55 0.628 -16.766 -5.252 1.00 0.08 H new ATOM 0 HG21 VAL B 55 1.021 -19.816 -5.262 1.00 0.32 H new ATOM 0 HG22 VAL B 55 2.069 -18.690 -6.156 1.00 0.32 H new ATOM 0 HG23 VAL B 55 2.781 -19.837 -4.998 1.00 0.32 H new ATOM 2280 N PRO B 56 2.843 -16.736 -1.559 1.00 0.10 N ATOM 2281 CA PRO B 56 2.658 -15.834 -0.414 1.00 0.10 C ATOM 2282 C PRO B 56 3.740 -14.765 -0.323 1.00 0.07 C ATOM 2283 O PRO B 56 3.476 -13.634 0.094 1.00 0.14 O ATOM 2284 CB PRO B 56 2.716 -16.762 0.805 1.00 0.14 C ATOM 2285 CG PRO B 56 3.368 -18.013 0.322 1.00 0.15 C ATOM 2286 CD PRO B 56 3.004 -18.138 -1.128 1.00 0.14 C ATOM 0 HA PRO B 56 1.723 -15.280 -0.495 1.00 0.10 H new ATOM 0 HB2 PRO B 56 3.287 -16.310 1.616 1.00 0.14 H new ATOM 0 HB3 PRO B 56 1.717 -16.964 1.192 1.00 0.14 H new ATOM 0 HG2 PRO B 56 4.449 -17.963 0.450 1.00 0.15 H new ATOM 0 HG3 PRO B 56 3.020 -18.877 0.887 1.00 0.15 H new ATOM 0 HD2 PRO B 56 3.783 -18.647 -1.696 1.00 0.14 H new ATOM 0 HD3 PRO B 56 2.086 -18.709 -1.265 1.00 0.14 H new ATOM 2294 N LYS B 57 4.946 -15.118 -0.737 1.00 0.09 N ATOM 2295 CA LYS B 57 6.071 -14.195 -0.690 1.00 0.06 C ATOM 2296 C LYS B 57 5.942 -13.139 -1.787 1.00 0.07 C ATOM 2297 O LYS B 57 6.449 -12.028 -1.659 1.00 0.12 O ATOM 2298 CB LYS B 57 7.393 -14.962 -0.824 1.00 0.12 C ATOM 2299 CG LYS B 57 7.922 -15.550 0.488 1.00 0.17 C ATOM 2300 CD LYS B 57 6.816 -16.183 1.322 1.00 0.47 C ATOM 2301 CE LYS B 57 7.364 -17.054 2.439 1.00 0.23 C ATOM 2302 NZ LYS B 57 8.035 -18.272 1.914 1.00 0.62 N1+ ATOM 0 H LYS B 57 5.173 -16.040 -1.111 1.00 0.09 H new ATOM 0 HA LYS B 57 6.066 -13.685 0.274 1.00 0.06 H new ATOM 0 HB2 LYS B 57 7.258 -15.771 -1.542 1.00 0.12 H new ATOM 0 HB3 LYS B 57 8.147 -14.292 -1.237 1.00 0.12 H new ATOM 0 HG2 LYS B 57 8.683 -16.299 0.268 1.00 0.17 H new ATOM 0 HG3 LYS B 57 8.407 -14.764 1.067 1.00 0.17 H new ATOM 0 HD2 LYS B 57 6.192 -15.398 1.749 1.00 0.47 H new ATOM 0 HD3 LYS B 57 6.176 -16.784 0.676 1.00 0.47 H new ATOM 0 HE2 LYS B 57 8.072 -16.478 3.035 1.00 0.23 H new ATOM 0 HE3 LYS B 57 6.551 -17.346 3.104 1.00 0.23 H new ATOM 0 HZ1 LYS B 57 7.870 -19.067 2.564 1.00 0.62 H new ATOM 0 HZ2 LYS B 57 7.648 -18.505 0.977 1.00 0.62 H new ATOM 0 HZ3 LYS B 57 9.057 -18.098 1.833 1.00 0.62 H new ATOM 2316 N LEU B 58 5.245 -13.492 -2.857 1.00 0.07 N ATOM 2317 CA LEU B 58 5.030 -12.574 -3.968 1.00 0.11 C ATOM 2318 C LEU B 58 3.941 -11.572 -3.588 1.00 0.11 C ATOM 2319 O LEU B 58 4.059 -10.374 -3.845 1.00 0.14 O ATOM 2320 CB LEU B 58 4.629 -13.368 -5.228 1.00 0.14 C ATOM 2321 CG LEU B 58 4.749 -12.654 -6.594 1.00 0.16 C ATOM 2322 CD1 LEU B 58 3.649 -11.618 -6.779 1.00 0.17 C ATOM 2323 CD2 LEU B 58 6.117 -12.016 -6.769 1.00 0.27 C ATOM 0 H LEU B 58 4.817 -14.410 -2.980 1.00 0.07 H new ATOM 0 HA LEU B 58 5.949 -12.029 -4.184 1.00 0.11 H new ATOM 0 HB2 LEU B 58 5.241 -14.269 -5.266 1.00 0.14 H new ATOM 0 HB3 LEU B 58 3.595 -13.690 -5.107 1.00 0.14 H new ATOM 0 HG LEU B 58 4.630 -13.415 -7.365 1.00 0.16 H new ATOM 0 HD11 LEU B 58 3.763 -11.135 -7.750 1.00 0.17 H new ATOM 0 HD12 LEU B 58 2.676 -12.107 -6.730 1.00 0.17 H new ATOM 0 HD13 LEU B 58 3.719 -10.869 -5.991 1.00 0.17 H new ATOM 0 HD21 LEU B 58 6.167 -11.523 -7.740 1.00 0.27 H new ATOM 0 HD22 LEU B 58 6.280 -11.282 -5.980 1.00 0.27 H new ATOM 0 HD23 LEU B 58 6.887 -12.785 -6.713 1.00 0.27 H new ATOM 2335 N ALA B 59 2.895 -12.076 -2.942 1.00 0.08 N ATOM 2336 CA ALA B 59 1.770 -11.249 -2.519 1.00 0.09 C ATOM 2337 C ALA B 59 2.193 -10.194 -1.499 1.00 0.14 C ATOM 2338 O ALA B 59 1.690 -9.069 -1.508 1.00 0.31 O ATOM 2339 CB ALA B 59 0.670 -12.129 -1.948 1.00 0.07 C ATOM 0 H ALA B 59 2.803 -13.062 -2.698 1.00 0.08 H new ATOM 0 HA ALA B 59 1.393 -10.720 -3.395 1.00 0.09 H new ATOM 0 HB1 ALA B 59 -0.168 -11.506 -1.634 1.00 0.07 H new ATOM 0 HB2 ALA B 59 0.334 -12.832 -2.710 1.00 0.07 H new ATOM 0 HB3 ALA B 59 1.054 -12.681 -1.090 1.00 0.07 H new ATOM 2345 N VAL B 60 3.117 -10.559 -0.619 1.00 0.02 N ATOM 2346 CA VAL B 60 3.597 -9.634 0.402 1.00 0.05 C ATOM 2347 C VAL B 60 4.618 -8.663 -0.190 1.00 0.08 C ATOM 2348 O VAL B 60 4.808 -7.554 0.316 1.00 0.12 O ATOM 2349 CB VAL B 60 4.208 -10.386 1.610 1.00 0.07 C ATOM 2350 CG1 VAL B 60 5.555 -10.993 1.263 1.00 0.07 C ATOM 2351 CG2 VAL B 60 4.332 -9.462 2.810 1.00 0.13 C ATOM 0 H VAL B 60 3.547 -11.483 -0.591 1.00 0.02 H new ATOM 0 HA VAL B 60 2.738 -9.067 0.762 1.00 0.05 H new ATOM 0 HB VAL B 60 3.532 -11.202 1.868 1.00 0.07 H new ATOM 0 HG11 VAL B 60 5.955 -11.513 2.134 1.00 0.07 H new ATOM 0 HG12 VAL B 60 5.435 -11.700 0.442 1.00 0.07 H new ATOM 0 HG13 VAL B 60 6.244 -10.203 0.964 1.00 0.07 H new ATOM 0 HG21 VAL B 60 4.763 -10.010 3.648 1.00 0.13 H new ATOM 0 HG22 VAL B 60 4.977 -8.620 2.556 1.00 0.13 H new ATOM 0 HG23 VAL B 60 3.345 -9.092 3.088 1.00 0.13 H new ATOM 2361 N LEU B 61 5.250 -9.078 -1.284 1.00 0.08 N ATOM 2362 CA LEU B 61 6.244 -8.256 -1.958 1.00 0.11 C ATOM 2363 C LEU B 61 5.604 -6.987 -2.505 1.00 0.11 C ATOM 2364 O LEU B 61 6.163 -5.894 -2.395 1.00 0.13 O ATOM 2365 CB LEU B 61 6.897 -9.049 -3.096 1.00 0.13 C ATOM 2366 CG LEU B 61 7.980 -8.305 -3.882 1.00 0.17 C ATOM 2367 CD1 LEU B 61 9.255 -8.188 -3.063 1.00 0.17 C ATOM 2368 CD2 LEU B 61 8.256 -9.013 -5.200 1.00 0.17 C ATOM 0 H LEU B 61 5.088 -9.984 -1.723 1.00 0.08 H new ATOM 0 HA LEU B 61 7.010 -7.975 -1.236 1.00 0.11 H new ATOM 0 HB2 LEU B 61 7.334 -9.956 -2.679 1.00 0.13 H new ATOM 0 HB3 LEU B 61 6.118 -9.361 -3.791 1.00 0.13 H new ATOM 0 HG LEU B 61 7.620 -7.299 -4.096 1.00 0.17 H new ATOM 0 HD11 LEU B 61 10.011 -7.656 -3.641 1.00 0.17 H new ATOM 0 HD12 LEU B 61 9.048 -7.640 -2.144 1.00 0.17 H new ATOM 0 HD13 LEU B 61 9.622 -9.184 -2.816 1.00 0.17 H new ATOM 0 HD21 LEU B 61 9.028 -8.473 -5.748 1.00 0.17 H new ATOM 0 HD22 LEU B 61 8.595 -10.030 -5.003 1.00 0.17 H new ATOM 0 HD23 LEU B 61 7.343 -9.044 -5.795 1.00 0.17 H new ATOM 2380 N THR B 62 4.422 -7.132 -3.080 1.00 0.10 N ATOM 2381 CA THR B 62 3.708 -5.998 -3.636 1.00 0.09 C ATOM 2382 C THR B 62 3.135 -5.111 -2.535 1.00 0.09 C ATOM 2383 O THR B 62 3.065 -3.892 -2.689 1.00 0.08 O ATOM 2384 CB THR B 62 2.574 -6.463 -4.560 1.00 0.10 C ATOM 2385 OG1 THR B 62 2.035 -7.705 -4.081 1.00 0.18 O ATOM 2386 CG2 THR B 62 3.075 -6.644 -5.980 1.00 0.12 C ATOM 0 H THR B 62 3.937 -8.025 -3.173 1.00 0.10 H new ATOM 0 HA THR B 62 4.426 -5.418 -4.216 1.00 0.09 H new ATOM 0 HB THR B 62 1.796 -5.699 -4.559 1.00 0.10 H new ATOM 0 HG1 THR B 62 2.015 -7.697 -3.101 1.00 0.18 H new ATOM 0 HG21 THR B 62 2.254 -6.974 -6.616 1.00 0.12 H new ATOM 0 HG22 THR B 62 3.464 -5.696 -6.352 1.00 0.12 H new ATOM 0 HG23 THR B 62 3.868 -7.392 -5.994 1.00 0.12 H new ATOM 2394 N ALA B 63 2.740 -5.730 -1.425 1.00 0.10 N ATOM 2395 CA ALA B 63 2.173 -5.002 -0.292 1.00 0.11 C ATOM 2396 C ALA B 63 3.153 -3.963 0.240 1.00 0.11 C ATOM 2397 O ALA B 63 2.801 -2.796 0.430 1.00 0.12 O ATOM 2398 CB ALA B 63 1.787 -5.974 0.817 1.00 0.10 C ATOM 0 H ALA B 63 2.803 -6.738 -1.286 1.00 0.10 H new ATOM 0 HA ALA B 63 1.280 -4.481 -0.638 1.00 0.11 H new ATOM 0 HB1 ALA B 63 1.366 -5.420 1.656 1.00 0.10 H new ATOM 0 HB2 ALA B 63 1.047 -6.680 0.440 1.00 0.10 H new ATOM 0 HB3 ALA B 63 2.672 -6.517 1.149 1.00 0.10 H new ATOM 2404 N VAL B 64 4.388 -4.387 0.461 1.00 0.09 N ATOM 2405 CA VAL B 64 5.416 -3.497 0.974 1.00 0.10 C ATOM 2406 C VAL B 64 5.876 -2.505 -0.095 1.00 0.12 C ATOM 2407 O VAL B 64 6.299 -1.392 0.217 1.00 0.12 O ATOM 2408 CB VAL B 64 6.616 -4.296 1.530 1.00 0.10 C ATOM 2409 CG1 VAL B 64 7.395 -4.978 0.416 1.00 0.12 C ATOM 2410 CG2 VAL B 64 7.525 -3.399 2.357 1.00 0.11 C ATOM 0 H VAL B 64 4.702 -5.343 0.293 1.00 0.09 H new ATOM 0 HA VAL B 64 4.978 -2.928 1.794 1.00 0.10 H new ATOM 0 HB VAL B 64 6.221 -5.076 2.181 1.00 0.10 H new ATOM 0 HG11 VAL B 64 8.232 -5.531 0.843 1.00 0.12 H new ATOM 0 HG12 VAL B 64 6.740 -5.666 -0.117 1.00 0.12 H new ATOM 0 HG13 VAL B 64 7.773 -4.226 -0.277 1.00 0.12 H new ATOM 0 HG21 VAL B 64 8.363 -3.983 2.738 1.00 0.11 H new ATOM 0 HG22 VAL B 64 7.901 -2.588 1.733 1.00 0.11 H new ATOM 0 HG23 VAL B 64 6.963 -2.983 3.193 1.00 0.11 H new ATOM 2420 N GLN B 65 5.764 -2.905 -1.355 1.00 0.15 N ATOM 2421 CA GLN B 65 6.159 -2.047 -2.463 1.00 0.19 C ATOM 2422 C GLN B 65 5.198 -0.868 -2.565 1.00 0.13 C ATOM 2423 O GLN B 65 5.620 0.284 -2.661 1.00 0.16 O ATOM 2424 CB GLN B 65 6.185 -2.838 -3.775 1.00 0.34 C ATOM 2425 CG GLN B 65 7.273 -2.383 -4.746 1.00 0.57 C ATOM 2426 CD GLN B 65 6.869 -1.159 -5.543 1.00 0.79 C ATOM 2427 OE1 GLN B 65 5.690 -0.948 -5.824 1.00 0.98 O ATOM 2428 NE2 GLN B 65 7.843 -0.346 -5.914 1.00 0.80 N ATOM 0 H GLN B 65 5.403 -3.817 -1.634 1.00 0.15 H new ATOM 0 HA GLN B 65 7.165 -1.669 -2.279 1.00 0.19 H new ATOM 0 HB2 GLN B 65 6.331 -3.894 -3.549 1.00 0.34 H new ATOM 0 HB3 GLN B 65 5.214 -2.747 -4.263 1.00 0.34 H new ATOM 0 HG2 GLN B 65 8.184 -2.165 -4.189 1.00 0.57 H new ATOM 0 HG3 GLN B 65 7.507 -3.198 -5.432 1.00 0.57 H new ATOM 0 HE21 GLN B 65 8.808 -0.557 -5.660 1.00 0.80 H new ATOM 0 HE22 GLN B 65 7.629 0.493 -6.454 1.00 0.80 H new ATOM 2437 N ILE B 66 3.903 -1.171 -2.528 1.00 0.15 N ATOM 2438 CA ILE B 66 2.866 -0.149 -2.602 1.00 0.16 C ATOM 2439 C ILE B 66 3.031 0.862 -1.466 1.00 0.11 C ATOM 2440 O ILE B 66 3.016 2.076 -1.687 1.00 0.27 O ATOM 2441 CB ILE B 66 1.453 -0.781 -2.535 1.00 0.27 C ATOM 2442 CG1 ILE B 66 1.185 -1.611 -3.796 1.00 0.64 C ATOM 2443 CG2 ILE B 66 0.389 0.295 -2.359 1.00 0.89 C ATOM 2444 CD1 ILE B 66 -0.054 -2.481 -3.712 1.00 1.38 C ATOM 0 H ILE B 66 3.546 -2.123 -2.447 1.00 0.15 H new ATOM 0 HA ILE B 66 2.972 0.363 -3.558 1.00 0.16 H new ATOM 0 HB ILE B 66 1.408 -1.442 -1.669 1.00 0.27 H new ATOM 0 HG12 ILE B 66 1.086 -0.937 -4.647 1.00 0.64 H new ATOM 0 HG13 ILE B 66 2.049 -2.246 -3.991 1.00 0.64 H new ATOM 0 HG21 ILE B 66 -0.596 -0.171 -2.314 1.00 0.89 H new ATOM 0 HG22 ILE B 66 0.574 0.842 -1.434 1.00 0.89 H new ATOM 0 HG23 ILE B 66 0.426 0.985 -3.202 1.00 0.89 H new ATOM 0 HD11 ILE B 66 -0.173 -3.036 -4.643 1.00 1.38 H new ATOM 0 HD12 ILE B 66 0.049 -3.181 -2.883 1.00 1.38 H new ATOM 0 HD13 ILE B 66 -0.930 -1.852 -3.550 1.00 1.38 H new ATOM 2456 N ALA B 67 3.222 0.348 -0.257 1.00 0.16 N ATOM 2457 CA ALA B 67 3.389 1.191 0.924 1.00 0.13 C ATOM 2458 C ALA B 67 4.599 2.114 0.799 1.00 0.06 C ATOM 2459 O ALA B 67 4.516 3.300 1.113 1.00 0.09 O ATOM 2460 CB ALA B 67 3.523 0.331 2.167 1.00 0.16 C ATOM 0 H ALA B 67 3.265 -0.653 -0.067 1.00 0.16 H new ATOM 0 HA ALA B 67 2.500 1.817 1.007 1.00 0.13 H new ATOM 0 HB1 ALA B 67 3.647 0.971 3.041 1.00 0.16 H new ATOM 0 HB2 ALA B 67 2.626 -0.277 2.287 1.00 0.16 H new ATOM 0 HB3 ALA B 67 4.392 -0.319 2.067 1.00 0.16 H new ATOM 2466 N SER B 68 5.710 1.559 0.327 1.00 0.08 N ATOM 2467 CA SER B 68 6.953 2.310 0.170 1.00 0.06 C ATOM 2468 C SER B 68 6.769 3.517 -0.744 1.00 0.16 C ATOM 2469 O SER B 68 7.206 4.624 -0.421 1.00 0.21 O ATOM 2470 CB SER B 68 8.046 1.396 -0.399 1.00 0.06 C ATOM 2471 OG SER B 68 9.318 2.030 -0.384 1.00 0.28 O ATOM 0 H SER B 68 5.776 0.581 0.043 1.00 0.08 H new ATOM 0 HA SER B 68 7.249 2.673 1.154 1.00 0.06 H new ATOM 0 HB2 SER B 68 8.091 0.475 0.183 1.00 0.06 H new ATOM 0 HB3 SER B 68 7.791 1.115 -1.421 1.00 0.06 H new ATOM 0 HG SER B 68 9.992 1.420 -0.751 1.00 0.28 H new ATOM 2477 N GLU B 69 6.112 3.312 -1.876 1.00 0.26 N ATOM 2478 CA GLU B 69 5.909 4.382 -2.845 1.00 0.35 C ATOM 2479 C GLU B 69 4.880 5.408 -2.371 1.00 0.24 C ATOM 2480 O GLU B 69 5.051 6.612 -2.579 1.00 0.18 O ATOM 2481 CB GLU B 69 5.493 3.791 -4.192 1.00 0.52 C ATOM 2482 CG GLU B 69 6.480 2.761 -4.727 1.00 0.44 C ATOM 2483 CD GLU B 69 7.915 3.260 -4.713 1.00 1.20 C ATOM 2484 OE1 GLU B 69 8.613 3.061 -3.695 1.00 1.71 O ATOM 2485 OE2 GLU B 69 8.355 3.848 -5.722 1.00 1.60 O1- ATOM 0 H GLU B 69 5.710 2.415 -2.147 1.00 0.26 H new ATOM 0 HA GLU B 69 6.856 4.910 -2.955 1.00 0.35 H new ATOM 0 HB2 GLU B 69 4.512 3.326 -4.090 1.00 0.52 H new ATOM 0 HB3 GLU B 69 5.390 4.597 -4.919 1.00 0.52 H new ATOM 0 HG2 GLU B 69 6.410 1.852 -4.129 1.00 0.44 H new ATOM 0 HG3 GLU B 69 6.203 2.494 -5.747 1.00 0.44 H new ATOM 2492 N TYR B 70 3.823 4.942 -1.720 1.00 0.23 N ATOM 2493 CA TYR B 70 2.778 5.841 -1.236 1.00 0.15 C ATOM 2494 C TYR B 70 3.258 6.674 -0.050 1.00 0.08 C ATOM 2495 O TYR B 70 2.751 7.769 0.193 1.00 0.12 O ATOM 2496 CB TYR B 70 1.518 5.059 -0.860 1.00 0.24 C ATOM 2497 CG TYR B 70 0.564 4.869 -2.016 1.00 0.32 C ATOM 2498 CD1 TYR B 70 0.694 3.791 -2.878 1.00 0.75 C ATOM 2499 CD2 TYR B 70 -0.470 5.769 -2.245 1.00 0.57 C ATOM 2500 CE1 TYR B 70 -0.175 3.610 -3.933 1.00 0.85 C ATOM 2501 CE2 TYR B 70 -1.346 5.596 -3.299 1.00 0.56 C ATOM 2502 CZ TYR B 70 -1.192 4.514 -4.140 1.00 0.50 C ATOM 2503 OH TYR B 70 -2.058 4.337 -5.195 1.00 0.59 O ATOM 0 H TYR B 70 3.665 3.955 -1.515 1.00 0.23 H new ATOM 0 HA TYR B 70 2.535 6.525 -2.050 1.00 0.15 H new ATOM 0 HB2 TYR B 70 1.807 4.082 -0.473 1.00 0.24 H new ATOM 0 HB3 TYR B 70 1.002 5.581 -0.054 1.00 0.24 H new ATOM 0 HD1 TYR B 70 1.491 3.080 -2.720 1.00 0.75 H new ATOM 0 HD2 TYR B 70 -0.591 6.618 -1.588 1.00 0.57 H new ATOM 0 HE1 TYR B 70 -0.058 2.763 -4.593 1.00 0.85 H new ATOM 0 HE2 TYR B 70 -2.146 6.303 -3.463 1.00 0.56 H new ATOM 0 HH TYR B 70 -2.719 5.061 -5.201 1.00 0.59 H new ATOM 2513 N LEU B 71 4.245 6.159 0.676 1.00 0.09 N ATOM 2514 CA LEU B 71 4.788 6.873 1.832 1.00 0.17 C ATOM 2515 C LEU B 71 5.545 8.124 1.391 1.00 0.22 C ATOM 2516 O LEU B 71 5.531 9.141 2.085 1.00 0.26 O ATOM 2517 CB LEU B 71 5.695 5.956 2.663 1.00 0.24 C ATOM 2518 CG LEU B 71 4.996 5.316 3.876 1.00 0.27 C ATOM 2519 CD1 LEU B 71 5.748 4.093 4.377 1.00 0.32 C ATOM 2520 CD2 LEU B 71 4.841 6.323 5.004 1.00 0.32 C ATOM 0 H LEU B 71 4.684 5.258 0.489 1.00 0.09 H new ATOM 0 HA LEU B 71 3.953 7.184 2.459 1.00 0.17 H new ATOM 0 HB2 LEU B 71 6.081 5.165 2.020 1.00 0.24 H new ATOM 0 HB3 LEU B 71 6.553 6.530 3.012 1.00 0.24 H new ATOM 0 HG LEU B 71 4.008 4.996 3.545 1.00 0.27 H new ATOM 0 HD11 LEU B 71 5.224 3.669 5.234 1.00 0.32 H new ATOM 0 HD12 LEU B 71 5.804 3.350 3.582 1.00 0.32 H new ATOM 0 HD13 LEU B 71 6.756 4.382 4.675 1.00 0.32 H new ATOM 0 HD21 LEU B 71 4.345 5.848 5.850 1.00 0.32 H new ATOM 0 HD22 LEU B 71 5.824 6.678 5.313 1.00 0.32 H new ATOM 0 HD23 LEU B 71 4.243 7.166 4.659 1.00 0.32 H new ATOM 2532 N LYS B 72 6.193 8.052 0.234 1.00 0.23 N ATOM 2533 CA LYS B 72 6.931 9.197 -0.293 1.00 0.27 C ATOM 2534 C LYS B 72 5.967 10.310 -0.687 1.00 0.24 C ATOM 2535 O LYS B 72 6.209 11.487 -0.419 1.00 0.29 O ATOM 2536 CB LYS B 72 7.763 8.816 -1.520 1.00 0.31 C ATOM 2537 CG LYS B 72 8.296 7.393 -1.505 1.00 0.38 C ATOM 2538 CD LYS B 72 9.562 7.265 -2.342 1.00 0.40 C ATOM 2539 CE LYS B 72 9.743 5.852 -2.874 1.00 0.52 C ATOM 2540 NZ LYS B 72 9.571 4.817 -1.820 1.00 0.58 N1+ ATOM 0 H LYS B 72 6.223 7.220 -0.355 1.00 0.23 H new ATOM 0 HA LYS B 72 7.601 9.538 0.496 1.00 0.27 H new ATOM 0 HB2 LYS B 72 7.153 8.952 -2.413 1.00 0.31 H new ATOM 0 HB3 LYS B 72 8.604 9.504 -1.600 1.00 0.31 H new ATOM 0 HG2 LYS B 72 8.505 7.092 -0.478 1.00 0.38 H new ATOM 0 HG3 LYS B 72 7.535 6.714 -1.888 1.00 0.38 H new ATOM 0 HD2 LYS B 72 9.519 7.965 -3.176 1.00 0.40 H new ATOM 0 HD3 LYS B 72 10.427 7.540 -1.738 1.00 0.40 H new ATOM 0 HE2 LYS B 72 9.024 5.674 -3.673 1.00 0.52 H new ATOM 0 HE3 LYS B 72 10.737 5.757 -3.312 1.00 0.52 H new ATOM 0 HZ1 LYS B 72 9.536 3.876 -2.260 1.00 0.58 H new ATOM 0 HZ2 LYS B 72 10.372 4.860 -1.158 1.00 0.58 H new ATOM 0 HZ3 LYS B 72 8.685 4.991 -1.304 1.00 0.58 H new ATOM 2554 N LEU B 73 4.866 9.921 -1.320 1.00 0.17 N ATOM 2555 CA LEU B 73 3.859 10.872 -1.778 1.00 0.14 C ATOM 2556 C LEU B 73 3.232 11.621 -0.596 1.00 0.11 C ATOM 2557 O LEU B 73 2.988 12.825 -0.673 1.00 0.09 O ATOM 2558 CB LEU B 73 2.786 10.144 -2.598 1.00 0.13 C ATOM 2559 CG LEU B 73 1.753 11.032 -3.308 1.00 0.12 C ATOM 2560 CD1 LEU B 73 2.431 12.094 -4.163 1.00 0.08 C ATOM 2561 CD2 LEU B 73 0.836 10.180 -4.164 1.00 0.15 C ATOM 0 H LEU B 73 4.647 8.947 -1.529 1.00 0.17 H new ATOM 0 HA LEU B 73 4.343 11.611 -2.416 1.00 0.14 H new ATOM 0 HB2 LEU B 73 3.286 9.533 -3.349 1.00 0.13 H new ATOM 0 HB3 LEU B 73 2.253 9.462 -1.935 1.00 0.13 H new ATOM 0 HG LEU B 73 1.163 11.540 -2.545 1.00 0.12 H new ATOM 0 HD11 LEU B 73 1.673 12.706 -4.652 1.00 0.08 H new ATOM 0 HD12 LEU B 73 3.055 12.726 -3.531 1.00 0.08 H new ATOM 0 HD13 LEU B 73 3.051 11.612 -4.919 1.00 0.08 H new ATOM 0 HD21 LEU B 73 0.107 10.818 -4.663 1.00 0.15 H new ATOM 0 HD22 LEU B 73 1.425 9.649 -4.911 1.00 0.15 H new ATOM 0 HD23 LEU B 73 0.315 9.459 -3.533 1.00 0.15 H new ATOM 2573 N LYS B 74 2.995 10.913 0.502 1.00 0.11 N ATOM 2574 CA LYS B 74 2.400 11.534 1.683 1.00 0.10 C ATOM 2575 C LYS B 74 3.400 12.469 2.356 1.00 0.13 C ATOM 2576 O LYS B 74 3.012 13.430 3.026 1.00 0.13 O ATOM 2577 CB LYS B 74 1.915 10.476 2.685 1.00 0.12 C ATOM 2578 CG LYS B 74 3.006 9.941 3.602 1.00 0.20 C ATOM 2579 CD LYS B 74 2.451 9.494 4.942 1.00 0.28 C ATOM 2580 CE LYS B 74 2.372 10.653 5.911 1.00 0.32 C ATOM 2581 NZ LYS B 74 3.668 10.894 6.601 1.00 0.43 N1+ ATOM 0 H LYS B 74 3.202 9.919 0.601 1.00 0.11 H new ATOM 0 HA LYS B 74 1.537 12.113 1.354 1.00 0.10 H new ATOM 0 HB2 LYS B 74 1.121 10.906 3.295 1.00 0.12 H new ATOM 0 HB3 LYS B 74 1.478 9.643 2.134 1.00 0.12 H new ATOM 0 HG2 LYS B 74 3.507 9.102 3.119 1.00 0.20 H new ATOM 0 HG3 LYS B 74 3.758 10.714 3.760 1.00 0.20 H new ATOM 0 HD2 LYS B 74 1.459 9.063 4.803 1.00 0.28 H new ATOM 0 HD3 LYS B 74 3.084 8.710 5.358 1.00 0.28 H new ATOM 0 HE2 LYS B 74 2.074 11.554 5.375 1.00 0.32 H new ATOM 0 HE3 LYS B 74 1.598 10.453 6.653 1.00 0.32 H new ATOM 0 HZ1 LYS B 74 3.514 11.511 7.424 1.00 0.43 H new ATOM 0 HZ2 LYS B 74 4.066 9.987 6.919 1.00 0.43 H new ATOM 0 HZ3 LYS B 74 4.331 11.352 5.944 1.00 0.43 H new ATOM 2595 N GLU B 75 4.684 12.192 2.169 1.00 0.17 N ATOM 2596 CA GLU B 75 5.723 13.017 2.758 1.00 0.20 C ATOM 2597 C GLU B 75 5.836 14.317 1.978 1.00 0.16 C ATOM 2598 O GLU B 75 5.932 15.397 2.561 1.00 0.20 O ATOM 2599 CB GLU B 75 7.064 12.280 2.782 1.00 0.27 C ATOM 2600 CG GLU B 75 7.767 12.356 4.129 1.00 0.36 C ATOM 2601 CD GLU B 75 7.006 11.646 5.241 1.00 0.45 C ATOM 2602 OE1 GLU B 75 5.838 12.007 5.503 1.00 0.44 O1- ATOM 2603 OE2 GLU B 75 7.580 10.729 5.869 1.00 0.55 O ATOM 0 H GLU B 75 5.027 11.406 1.617 1.00 0.17 H new ATOM 0 HA GLU B 75 5.455 13.240 3.791 1.00 0.20 H new ATOM 0 HB2 GLU B 75 6.901 11.234 2.523 1.00 0.27 H new ATOM 0 HB3 GLU B 75 7.715 12.700 2.016 1.00 0.27 H new ATOM 0 HG2 GLU B 75 8.760 11.917 4.039 1.00 0.36 H new ATOM 0 HG3 GLU B 75 7.905 13.402 4.402 1.00 0.36 H new ATOM 2610 N GLU B 76 5.809 14.199 0.652 1.00 0.13 N ATOM 2611 CA GLU B 76 5.869 15.359 -0.229 1.00 0.11 C ATOM 2612 C GLU B 76 4.687 16.278 0.060 1.00 0.08 C ATOM 2613 O GLU B 76 4.820 17.503 0.083 1.00 0.08 O ATOM 2614 CB GLU B 76 5.852 14.903 -1.696 1.00 0.17 C ATOM 2615 CG GLU B 76 5.546 16.012 -2.695 1.00 0.18 C ATOM 2616 CD GLU B 76 6.009 15.669 -4.094 1.00 0.21 C ATOM 2617 OE1 GLU B 76 5.346 14.846 -4.758 1.00 0.20 O ATOM 2618 OE2 GLU B 76 7.046 16.211 -4.536 1.00 0.34 O1- ATOM 0 H GLU B 76 5.746 13.306 0.164 1.00 0.13 H new ATOM 0 HA GLU B 76 6.794 15.907 -0.049 1.00 0.11 H new ATOM 0 HB2 GLU B 76 6.821 14.468 -1.940 1.00 0.17 H new ATOM 0 HB3 GLU B 76 5.110 14.113 -1.810 1.00 0.17 H new ATOM 0 HG2 GLU B 76 4.473 16.202 -2.706 1.00 0.18 H new ATOM 0 HG3 GLU B 76 6.029 16.934 -2.371 1.00 0.18 H new ATOM 2625 N TYR B 77 3.538 15.654 0.315 1.00 0.07 N ATOM 2626 CA TYR B 77 2.299 16.359 0.628 1.00 0.11 C ATOM 2627 C TYR B 77 2.502 17.352 1.773 1.00 0.13 C ATOM 2628 O TYR B 77 2.011 18.476 1.728 1.00 0.22 O ATOM 2629 CB TYR B 77 1.220 15.325 0.983 1.00 0.13 C ATOM 2630 CG TYR B 77 0.017 15.868 1.726 1.00 0.15 C ATOM 2631 CD1 TYR B 77 -0.773 16.863 1.176 1.00 0.22 C ATOM 2632 CD2 TYR B 77 -0.335 15.364 2.971 1.00 0.12 C ATOM 2633 CE1 TYR B 77 -1.881 17.348 1.841 1.00 0.25 C ATOM 2634 CE2 TYR B 77 -1.442 15.843 3.646 1.00 0.14 C ATOM 2635 CZ TYR B 77 -2.211 16.836 3.079 1.00 0.20 C ATOM 2636 OH TYR B 77 -3.312 17.316 3.749 1.00 0.23 O ATOM 0 H TYR B 77 3.441 14.639 0.310 1.00 0.07 H new ATOM 0 HA TYR B 77 1.982 16.935 -0.242 1.00 0.11 H new ATOM 0 HB2 TYR B 77 0.875 14.855 0.062 1.00 0.13 H new ATOM 0 HB3 TYR B 77 1.677 14.542 1.589 1.00 0.13 H new ATOM 0 HD1 TYR B 77 -0.517 17.268 0.208 1.00 0.22 H new ATOM 0 HD2 TYR B 77 0.265 14.586 3.419 1.00 0.12 H new ATOM 0 HE1 TYR B 77 -2.486 18.124 1.395 1.00 0.25 H new ATOM 0 HE2 TYR B 77 -1.703 15.441 4.614 1.00 0.14 H new ATOM 0 HH TYR B 77 -4.111 16.830 3.456 1.00 0.23 H new ATOM 2646 N GLN B 78 3.252 16.941 2.784 1.00 0.22 N ATOM 2647 CA GLN B 78 3.509 17.793 3.937 1.00 0.30 C ATOM 2648 C GLN B 78 4.743 18.665 3.719 1.00 0.37 C ATOM 2649 O GLN B 78 4.898 19.706 4.357 1.00 0.84 O ATOM 2650 CB GLN B 78 3.690 16.942 5.194 1.00 0.28 C ATOM 2651 CG GLN B 78 2.390 16.373 5.740 1.00 0.17 C ATOM 2652 CD GLN B 78 1.416 17.456 6.165 1.00 0.26 C ATOM 2653 OE1 GLN B 78 1.816 18.552 6.559 1.00 0.53 O ATOM 2654 NE2 GLN B 78 0.129 17.159 6.100 1.00 0.24 N ATOM 0 H GLN B 78 3.694 16.023 2.830 1.00 0.22 H new ATOM 0 HA GLN B 78 2.647 18.448 4.066 1.00 0.30 H new ATOM 0 HB2 GLN B 78 4.370 16.120 4.971 1.00 0.28 H new ATOM 0 HB3 GLN B 78 4.164 17.547 5.967 1.00 0.28 H new ATOM 0 HG2 GLN B 78 1.923 15.747 4.980 1.00 0.17 H new ATOM 0 HG3 GLN B 78 2.608 15.730 6.593 1.00 0.17 H new ATOM 0 HE21 GLN B 78 -0.166 16.241 5.768 1.00 0.24 H new ATOM 0 HE22 GLN B 78 -0.568 17.848 6.381 1.00 0.24 H new ATOM 2663 N ARG B 79 5.606 18.239 2.806 1.00 0.28 N ATOM 2664 CA ARG B 79 6.841 18.964 2.508 1.00 0.30 C ATOM 2665 C ARG B 79 6.544 20.320 1.874 1.00 0.27 C ATOM 2666 O ARG B 79 7.070 21.346 2.300 1.00 0.23 O ATOM 2667 CB ARG B 79 7.755 18.144 1.585 1.00 0.34 C ATOM 2668 CG ARG B 79 9.209 18.131 2.024 1.00 0.63 C ATOM 2669 CD ARG B 79 9.821 19.520 1.986 1.00 0.85 C ATOM 2670 NE ARG B 79 11.008 19.611 2.829 1.00 1.45 N ATOM 2671 CZ ARG B 79 12.257 19.640 2.370 1.00 1.28 C ATOM 2672 NH1 ARG B 79 12.501 19.552 1.064 1.00 0.73 N1+ ATOM 2673 NH2 ARG B 79 13.262 19.738 3.229 1.00 2.05 N ATOM 0 H ARG B 79 5.475 17.391 2.255 1.00 0.28 H new ATOM 0 HA ARG B 79 7.358 19.128 3.454 1.00 0.30 H new ATOM 0 HB2 ARG B 79 7.388 17.119 1.542 1.00 0.34 H new ATOM 0 HB3 ARG B 79 7.693 18.547 0.574 1.00 0.34 H new ATOM 0 HG2 ARG B 79 9.280 17.730 3.035 1.00 0.63 H new ATOM 0 HG3 ARG B 79 9.779 17.465 1.376 1.00 0.63 H new ATOM 0 HD2 ARG B 79 10.084 19.774 0.959 1.00 0.85 H new ATOM 0 HD3 ARG B 79 9.083 20.252 2.316 1.00 0.85 H new ATOM 0 HE ARG B 79 10.872 19.655 3.839 1.00 1.45 H new ATOM 0 HH11 ARG B 79 11.727 19.461 0.406 1.00 0.73 H new ATOM 0 HH12 ARG B 79 13.462 19.575 0.722 1.00 0.73 H new ATOM 0 HH21 ARG B 79 13.074 19.790 4.230 1.00 2.05 H new ATOM 0 HH22 ARG B 79 14.223 19.761 2.889 1.00 2.05 H new ATOM 2687 N LEU B 80 5.699 20.322 0.857 1.00 0.30 N ATOM 2688 CA LEU B 80 5.350 21.558 0.173 1.00 0.28 C ATOM 2689 C LEU B 80 4.496 22.453 1.068 1.00 0.23 C ATOM 2690 O LEU B 80 4.490 23.677 0.918 1.00 0.28 O ATOM 2691 CB LEU B 80 4.612 21.256 -1.139 1.00 0.31 C ATOM 2692 CG LEU B 80 3.197 20.679 -0.979 1.00 0.48 C ATOM 2693 CD1 LEU B 80 2.138 21.699 -1.388 1.00 0.79 C ATOM 2694 CD2 LEU B 80 3.037 19.396 -1.784 1.00 0.44 C ATOM 0 H LEU B 80 5.244 19.487 0.487 1.00 0.30 H new ATOM 0 HA LEU B 80 6.273 22.089 -0.060 1.00 0.28 H new ATOM 0 HB2 LEU B 80 4.548 22.176 -1.720 1.00 0.31 H new ATOM 0 HB3 LEU B 80 5.210 20.553 -1.719 1.00 0.31 H new ATOM 0 HG LEU B 80 3.054 20.443 0.076 1.00 0.48 H new ATOM 0 HD11 LEU B 80 1.146 21.263 -1.265 1.00 0.79 H new ATOM 0 HD12 LEU B 80 2.225 22.586 -0.760 1.00 0.79 H new ATOM 0 HD13 LEU B 80 2.285 21.977 -2.432 1.00 0.79 H new ATOM 0 HD21 LEU B 80 2.027 19.008 -1.653 1.00 0.44 H new ATOM 0 HD22 LEU B 80 3.212 19.604 -2.839 1.00 0.44 H new ATOM 0 HD23 LEU B 80 3.758 18.656 -1.436 1.00 0.44 H new ATOM 2706 N ARG B 81 3.793 21.842 2.010 1.00 0.20 N ATOM 2707 CA ARG B 81 2.931 22.585 2.912 1.00 0.15 C ATOM 2708 C ARG B 81 3.745 23.335 3.961 1.00 0.15 C ATOM 2709 O ARG B 81 3.464 24.498 4.260 1.00 0.43 O ATOM 2710 CB ARG B 81 1.921 21.647 3.573 1.00 0.22 C ATOM 2711 CG ARG B 81 0.799 21.216 2.642 1.00 0.32 C ATOM 2712 CD ARG B 81 -0.221 20.331 3.346 1.00 0.65 C ATOM 2713 NE ARG B 81 -0.520 20.780 4.707 1.00 1.05 N ATOM 2714 CZ ARG B 81 -1.421 21.716 5.012 1.00 1.70 C ATOM 2715 NH1 ARG B 81 -2.078 22.355 4.055 1.00 2.04 N1+ ATOM 2716 NH2 ARG B 81 -1.662 22.008 6.286 1.00 2.12 N ATOM 0 H ARG B 81 3.804 20.834 2.168 1.00 0.20 H new ATOM 0 HA ARG B 81 2.385 23.326 2.328 1.00 0.15 H new ATOM 0 HB2 ARG B 81 2.442 20.761 3.936 1.00 0.22 H new ATOM 0 HB3 ARG B 81 1.491 22.143 4.443 1.00 0.22 H new ATOM 0 HG2 ARG B 81 0.299 22.099 2.244 1.00 0.32 H new ATOM 0 HG3 ARG B 81 1.220 20.678 1.792 1.00 0.32 H new ATOM 0 HD2 ARG B 81 -1.142 20.313 2.764 1.00 0.65 H new ATOM 0 HD3 ARG B 81 0.155 19.308 3.380 1.00 0.65 H new ATOM 0 HE ARG B 81 -0.005 20.348 5.474 1.00 1.05 H new ATOM 0 HH11 ARG B 81 -1.897 22.133 3.076 1.00 2.04 H new ATOM 0 HH12 ARG B 81 -2.765 23.069 4.297 1.00 2.04 H new ATOM 0 HH21 ARG B 81 -1.159 21.517 7.026 1.00 2.12 H new ATOM 0 HH22 ARG B 81 -2.350 22.723 6.524 1.00 2.12 H new ATOM 2730 N GLU B 82 4.769 22.682 4.509 1.00 0.39 N ATOM 2731 CA GLU B 82 5.611 23.313 5.519 1.00 0.44 C ATOM 2732 C GLU B 82 6.464 24.415 4.900 1.00 0.34 C ATOM 2733 O GLU B 82 6.883 25.340 5.586 1.00 0.27 O ATOM 2734 CB GLU B 82 6.506 22.284 6.227 1.00 0.69 C ATOM 2735 CG GLU B 82 7.536 21.623 5.321 1.00 0.48 C ATOM 2736 CD GLU B 82 8.591 20.854 6.090 1.00 0.92 C ATOM 2737 OE1 GLU B 82 8.276 19.762 6.612 1.00 1.70 O1- ATOM 2738 OE2 GLU B 82 9.742 21.333 6.173 1.00 1.27 O ATOM 0 H GLU B 82 5.032 21.725 4.272 1.00 0.39 H new ATOM 0 HA GLU B 82 4.951 23.757 6.264 1.00 0.44 H new ATOM 0 HB2 GLU B 82 7.025 22.776 7.050 1.00 0.69 H new ATOM 0 HB3 GLU B 82 5.875 21.511 6.665 1.00 0.69 H new ATOM 0 HG2 GLU B 82 7.027 20.945 4.635 1.00 0.48 H new ATOM 0 HG3 GLU B 82 8.021 22.387 4.713 1.00 0.48 H new ATOM 2745 N GLN B 83 6.702 24.313 3.598 1.00 0.35 N ATOM 2746 CA GLN B 83 7.506 25.297 2.879 1.00 0.31 C ATOM 2747 C GLN B 83 6.781 26.640 2.773 1.00 0.28 C ATOM 2748 O GLN B 83 7.405 27.700 2.835 1.00 0.30 O ATOM 2749 CB GLN B 83 7.838 24.771 1.480 1.00 0.36 C ATOM 2750 CG GLN B 83 8.718 25.704 0.664 1.00 0.39 C ATOM 2751 CD GLN B 83 8.974 25.178 -0.734 1.00 0.29 C ATOM 2752 OE1 GLN B 83 9.947 24.464 -0.973 1.00 0.45 O ATOM 2753 NE2 GLN B 83 8.108 25.537 -1.668 1.00 0.89 N ATOM 0 H GLN B 83 6.348 23.555 3.015 1.00 0.35 H new ATOM 0 HA GLN B 83 8.428 25.456 3.439 1.00 0.31 H new ATOM 0 HB2 GLN B 83 8.337 23.807 1.574 1.00 0.36 H new ATOM 0 HB3 GLN B 83 6.909 24.597 0.938 1.00 0.36 H new ATOM 0 HG2 GLN B 83 8.244 26.683 0.600 1.00 0.39 H new ATOM 0 HG3 GLN B 83 9.670 25.843 1.177 1.00 0.39 H new ATOM 0 HE21 GLN B 83 7.314 26.131 -1.427 1.00 0.89 H new ATOM 0 HE22 GLN B 83 8.234 25.220 -2.629 1.00 0.89 H new ATOM 2762 N LEU B 84 5.463 26.593 2.625 1.00 0.27 N ATOM 2763 CA LEU B 84 4.669 27.812 2.490 1.00 0.26 C ATOM 2764 C LEU B 84 4.579 28.572 3.813 1.00 0.19 C ATOM 2765 O LEU B 84 4.806 29.781 3.857 1.00 0.26 O ATOM 2766 CB LEU B 84 3.261 27.482 1.978 1.00 0.39 C ATOM 2767 CG LEU B 84 2.319 28.695 1.822 1.00 0.50 C ATOM 2768 CD1 LEU B 84 2.896 29.727 0.859 1.00 0.62 C ATOM 2769 CD2 LEU B 84 0.932 28.268 1.354 1.00 1.24 C ATOM 0 H LEU B 84 4.921 25.729 2.595 1.00 0.27 H new ATOM 0 HA LEU B 84 5.172 28.453 1.766 1.00 0.26 H new ATOM 0 HB2 LEU B 84 3.350 26.984 1.012 1.00 0.39 H new ATOM 0 HB3 LEU B 84 2.800 26.770 2.662 1.00 0.39 H new ATOM 0 HG LEU B 84 2.226 29.153 2.807 1.00 0.50 H new ATOM 0 HD11 LEU B 84 2.208 30.568 0.772 1.00 0.62 H new ATOM 0 HD12 LEU B 84 3.855 30.081 1.237 1.00 0.62 H new ATOM 0 HD13 LEU B 84 3.038 29.271 -0.121 1.00 0.62 H new ATOM 0 HD21 LEU B 84 0.295 29.147 1.255 1.00 1.24 H new ATOM 0 HD22 LEU B 84 1.012 27.767 0.389 1.00 1.24 H new ATOM 0 HD23 LEU B 84 0.496 27.585 2.083 1.00 1.24 H new ATOM 2781 N LYS B 85 4.271 27.862 4.890 1.00 0.35 N ATOM 2782 CA LYS B 85 4.136 28.489 6.203 1.00 0.59 C ATOM 2783 C LYS B 85 5.493 28.724 6.866 1.00 0.72 C ATOM 2784 O LYS B 85 5.580 29.414 7.882 1.00 0.98 O ATOM 2785 CB LYS B 85 3.263 27.621 7.116 1.00 0.69 C ATOM 2786 CG LYS B 85 3.893 26.275 7.444 1.00 0.66 C ATOM 2787 CD LYS B 85 3.326 25.670 8.720 1.00 0.84 C ATOM 2788 CE LYS B 85 4.150 24.479 9.178 1.00 1.01 C ATOM 2789 NZ LYS B 85 3.891 24.139 10.601 1.00 1.80 N1+ ATOM 0 H LYS B 85 4.110 26.855 4.883 1.00 0.35 H new ATOM 0 HA LYS B 85 3.663 29.459 6.052 1.00 0.59 H new ATOM 0 HB2 LYS B 85 3.070 28.160 8.043 1.00 0.69 H new ATOM 0 HB3 LYS B 85 2.298 27.456 6.636 1.00 0.69 H new ATOM 0 HG2 LYS B 85 3.729 25.587 6.614 1.00 0.66 H new ATOM 0 HG3 LYS B 85 4.971 26.397 7.549 1.00 0.66 H new ATOM 0 HD2 LYS B 85 3.306 26.425 9.506 1.00 0.84 H new ATOM 0 HD3 LYS B 85 2.295 25.359 8.551 1.00 0.84 H new ATOM 0 HE2 LYS B 85 3.921 23.617 8.552 1.00 1.01 H new ATOM 0 HE3 LYS B 85 5.209 24.698 9.044 1.00 1.01 H new ATOM 0 HZ1 LYS B 85 4.473 23.321 10.874 1.00 1.80 H new ATOM 0 HZ2 LYS B 85 4.134 24.952 11.202 1.00 1.80 H new ATOM 0 HZ3 LYS B 85 2.885 23.905 10.725 1.00 1.80 H new ATOM 2803 N LYS B 86 6.545 28.151 6.296 1.00 0.59 N ATOM 2804 CA LYS B 86 7.885 28.287 6.849 1.00 0.82 C ATOM 2805 C LYS B 86 8.911 28.437 5.725 1.00 0.82 C ATOM 2806 O LYS B 86 9.031 29.554 5.183 1.00 1.02 O ATOM 2807 CB LYS B 86 8.199 27.066 7.719 1.00 1.00 C ATOM 2808 CG LYS B 86 9.623 27.021 8.253 1.00 1.09 C ATOM 2809 CD LYS B 86 10.026 25.614 8.679 1.00 1.23 C ATOM 2810 CE LYS B 86 9.721 24.569 7.604 1.00 1.10 C ATOM 2811 NZ LYS B 86 10.238 24.964 6.264 1.00 0.86 N1+ ATOM 0 H LYS B 86 6.495 27.586 5.448 1.00 0.59 H new ATOM 0 HA LYS B 86 7.935 29.183 7.467 1.00 0.82 H new ATOM 0 HB2 LYS B 86 7.508 27.049 8.562 1.00 1.00 H new ATOM 0 HB3 LYS B 86 8.014 26.163 7.136 1.00 1.00 H new ATOM 0 HG2 LYS B 86 10.310 27.379 7.486 1.00 1.09 H new ATOM 0 HG3 LYS B 86 9.714 27.698 9.103 1.00 1.09 H new ATOM 0 HD2 LYS B 86 11.092 25.597 8.906 1.00 1.23 H new ATOM 0 HD3 LYS B 86 9.501 25.351 9.597 1.00 1.23 H new ATOM 0 HE2 LYS B 86 10.162 23.615 7.893 1.00 1.10 H new ATOM 0 HE3 LYS B 86 8.643 24.417 7.544 1.00 1.10 H new ATOM 0 HZ1 LYS B 86 10.557 24.117 5.752 1.00 0.86 H new ATOM 0 HZ2 LYS B 86 9.482 25.431 5.724 1.00 0.86 H new ATOM 0 HZ3 LYS B 86 11.036 25.620 6.380 1.00 0.86 H new TER 2825 LYS B 86