USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 880 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 LYS NZ :NH3+ -168:sc= 2.44 (180deg=2.02) USER MOD Set 1.2: B 74 SER OG : rot -102:sc= 1.15 USER MOD Set 2.1: A 78 LYS NZ :NH3+ 152:sc= 0.513 (180deg=-0.323) USER MOD Set 2.2: B -1 SER OG : rot 150:sc= 0 USER MOD Set 3.1: A 74 SER OG : rot -116:sc= 1.24 USER MOD Set 3.2: B 32 LYS NZ :NH3+ -170:sc= 2.36 (180deg=2.07) USER MOD Set 4.1: A -1 SER OG : rot 150:sc= 0 USER MOD Set 4.2: B 78 LYS NZ :NH3+ 150:sc= 0.482 (180deg=-0.27) USER MOD Single : A -2 GLY N :NH3+ -129:sc= 0.0974 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= 0.712 (180deg=0.685) USER MOD Single : A 36 LYS NZ :NH3+ -152:sc= -1.22 (180deg=-2.35!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00455 USER MOD Single : A 41 TYR OH : rot -39:sc= 0.0203 USER MOD Single : A 43 MET CE :methyl 161:sc= -0.579 (180deg=-1.18) USER MOD Single : A 44 GLN : amide:sc= -0.323 K(o=-0.32,f=-1) USER MOD Single : A 46 MET CE :methyl -144:sc= -0.481 (180deg=-1.59) USER MOD Single : A 47 ASN : amide:sc=-0.00716 X(o=-0.0072,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= -0.0656 (180deg=-0.349) USER MOD Single : A 50 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.242) USER MOD Single : A 52 MET CE :methyl 140:sc= -3.32! (180deg=-4.71!) USER MOD Single : A 53 SER OG : rot -93:sc= 1.03 USER MOD Single : A 54 SER OG : rot -41:sc= 0.0407 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 73:sc=0.000141 USER MOD Single : A 64 HIS : no HE2:sc= -2.62! C(o=-2.6!,f=-5.6!) USER MOD Single : A 80 MET CE :methyl 164:sc= -2.55! (180deg=-3.66!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : B -2 GLY N :NH3+ -125:sc= 0.0839 (180deg=0) USER MOD Single : B 34 LYS NZ :NH3+ 174:sc= 0.803 (180deg=0.772) USER MOD Single : B 36 LYS NZ :NH3+ -155:sc= -1.27 (180deg=-2.43!) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0.00058 USER MOD Single : B 41 TYR OH : rot -40:sc= 0.0203 USER MOD Single : B 43 MET CE :methyl -129:sc= -0.658 (180deg=-1.14) USER MOD Single : B 44 GLN : amide:sc= -0.343 K(o=-0.34,f=-1.1) USER MOD Single : B 46 MET CE :methyl -144:sc= -0.536 (180deg=-1.65) USER MOD Single : B 47 ASN : amide:sc=-0.000754 X(o=-0.00075,f=0) USER MOD Single : B 49 LYS NZ :NH3+ -162:sc= -0.0488 (180deg=-0.326) USER MOD Single : B 50 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.237) USER MOD Single : B 52 MET CE :methyl 133:sc= -3.19! (180deg=-4.6!) USER MOD Single : B 53 SER OG : rot -92:sc= 1.01 USER MOD Single : B 54 SER OG : rot -33:sc= 0.034 USER MOD Single : B 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 59 SER OG : rot -63:sc= 0.0289 USER MOD Single : B 63 THR OG1 : rot 74:sc= 0.00113 USER MOD Single : B 64 HIS : no HE2:sc= -2.56! C(o=-2.6!,f=-5.5!) USER MOD Single : B 80 MET CE :methyl 162:sc= -2.55! (180deg=-3.67!) USER MOD Single : B 81 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -4.185 -17.036 -12.555 1.00 7.36 N ATOM 2 CA GLY A -2 -4.972 -16.807 -11.323 1.00 7.04 C ATOM 3 C GLY A -2 -5.665 -15.465 -11.342 1.00 6.49 C ATOM 4 O GLY A -2 -5.775 -14.832 -12.393 1.00 6.41 O ATOM 0 H1 GLY A -2 -4.435 -17.961 -12.960 1.00 7.36 H new ATOM 0 H2 GLY A -2 -4.395 -16.287 -13.246 1.00 7.36 H new ATOM 0 H3 GLY A -2 -3.170 -17.021 -12.327 1.00 7.36 H new ATOM 0 HA2 GLY A -2 -5.714 -17.598 -11.213 1.00 7.04 H new ATOM 0 HA3 GLY A -2 -4.314 -16.864 -10.456 1.00 7.04 H new ATOM 10 N SER A -1 -6.126 -15.020 -10.184 1.00 6.40 N ATOM 11 CA SER A -1 -6.798 -13.740 -10.075 1.00 6.10 C ATOM 12 C SER A -1 -5.765 -12.616 -9.997 1.00 5.78 C ATOM 13 O SER A -1 -5.419 -12.146 -8.906 1.00 6.08 O ATOM 14 CB SER A -1 -7.714 -13.739 -8.849 1.00 6.39 C ATOM 15 OG SER A -1 -8.545 -12.590 -8.815 1.00 6.63 O ATOM 0 H SER A -1 -6.045 -15.530 -9.305 1.00 6.40 H new ATOM 0 HA SER A -1 -7.413 -13.573 -10.959 1.00 6.10 H new ATOM 0 HB2 SER A -1 -8.333 -14.636 -8.857 1.00 6.39 H new ATOM 0 HB3 SER A -1 -7.109 -13.777 -7.943 1.00 6.39 H new ATOM 0 HG SER A -1 -9.389 -12.810 -8.367 1.00 6.63 H new ATOM 21 N LYS A 32 -5.270 -12.222 -11.175 1.00 5.46 N ATOM 22 CA LYS A 32 -4.264 -11.168 -11.324 1.00 5.30 C ATOM 23 C LYS A 32 -2.894 -11.640 -10.834 1.00 4.83 C ATOM 24 O LYS A 32 -2.773 -12.277 -9.782 1.00 4.65 O ATOM 25 CB LYS A 32 -4.680 -9.895 -10.582 1.00 5.58 C ATOM 26 CG LYS A 32 -3.817 -8.691 -10.912 1.00 6.00 C ATOM 27 CD LYS A 32 -4.090 -7.542 -9.963 1.00 6.38 C ATOM 28 CE LYS A 32 -3.305 -6.300 -10.348 1.00 7.09 C ATOM 29 NZ LYS A 32 -3.365 -5.269 -9.284 1.00 7.47 N ATOM 0 H LYS A 32 -5.561 -12.632 -12.062 1.00 5.46 H new ATOM 0 HA LYS A 32 -4.190 -10.937 -12.387 1.00 5.30 H new ATOM 0 HB2 LYS A 32 -5.718 -9.665 -10.825 1.00 5.58 H new ATOM 0 HB3 LYS A 32 -4.637 -10.079 -9.509 1.00 5.58 H new ATOM 0 HG2 LYS A 32 -2.765 -8.969 -10.857 1.00 6.00 H new ATOM 0 HG3 LYS A 32 -4.009 -8.373 -11.937 1.00 6.00 H new ATOM 0 HD2 LYS A 32 -5.156 -7.314 -9.964 1.00 6.38 H new ATOM 0 HD3 LYS A 32 -3.828 -7.838 -8.947 1.00 6.38 H new ATOM 0 HE2 LYS A 32 -2.266 -6.569 -10.537 1.00 7.09 H new ATOM 0 HE3 LYS A 32 -3.703 -5.890 -11.276 1.00 7.09 H new ATOM 0 HZ1 LYS A 32 -2.998 -4.368 -9.652 1.00 7.47 H new ATOM 0 HZ2 LYS A 32 -4.351 -5.143 -8.978 1.00 7.47 H new ATOM 0 HZ3 LYS A 32 -2.788 -5.572 -8.474 1.00 7.47 H new ATOM 43 N GLU A 33 -1.864 -11.329 -11.605 1.00 4.81 N ATOM 44 CA GLU A 33 -0.503 -11.711 -11.260 1.00 4.46 C ATOM 45 C GLU A 33 0.047 -10.774 -10.193 1.00 3.99 C ATOM 46 O GLU A 33 -0.250 -9.578 -10.194 1.00 4.06 O ATOM 47 CB GLU A 33 0.385 -11.681 -12.508 1.00 4.70 C ATOM 48 CG GLU A 33 1.826 -12.096 -12.256 1.00 4.79 C ATOM 49 CD GLU A 33 2.657 -12.098 -13.521 1.00 4.98 C ATOM 50 OE1 GLU A 33 2.763 -13.162 -14.167 1.00 5.29 O ATOM 51 OE2 GLU A 33 3.209 -11.033 -13.882 1.00 5.18 O ATOM 0 H GLU A 33 -1.945 -10.810 -12.479 1.00 4.81 H new ATOM 0 HA GLU A 33 -0.509 -12.726 -10.863 1.00 4.46 H new ATOM 0 HB2 GLU A 33 -0.045 -12.340 -13.262 1.00 4.70 H new ATOM 0 HB3 GLU A 33 0.376 -10.673 -12.923 1.00 4.70 H new ATOM 0 HG2 GLU A 33 2.275 -11.417 -11.531 1.00 4.79 H new ATOM 0 HG3 GLU A 33 1.842 -13.092 -11.813 1.00 4.79 H new ATOM 58 N LYS A 34 0.823 -11.318 -9.271 1.00 3.73 N ATOM 59 CA LYS A 34 1.403 -10.520 -8.204 1.00 3.43 C ATOM 60 C LYS A 34 2.804 -10.066 -8.589 1.00 3.03 C ATOM 61 O LYS A 34 3.710 -10.887 -8.727 1.00 3.00 O ATOM 62 CB LYS A 34 1.450 -11.305 -6.884 1.00 3.71 C ATOM 63 CG LYS A 34 0.081 -11.639 -6.304 1.00 4.14 C ATOM 64 CD LYS A 34 -0.590 -12.787 -7.043 1.00 4.58 C ATOM 65 CE LYS A 34 -2.020 -12.991 -6.573 1.00 5.29 C ATOM 66 NZ LYS A 34 -2.899 -11.852 -6.953 1.00 5.78 N ATOM 0 H LYS A 34 1.066 -12.308 -9.240 1.00 3.73 H new ATOM 0 HA LYS A 34 0.769 -9.645 -8.057 1.00 3.43 H new ATOM 0 HB2 LYS A 34 1.999 -12.233 -7.046 1.00 3.71 H new ATOM 0 HB3 LYS A 34 2.011 -10.726 -6.150 1.00 3.71 H new ATOM 0 HG2 LYS A 34 0.188 -11.900 -5.251 1.00 4.14 H new ATOM 0 HG3 LYS A 34 -0.557 -10.756 -6.351 1.00 4.14 H new ATOM 0 HD2 LYS A 34 -0.583 -12.585 -8.114 1.00 4.58 H new ATOM 0 HD3 LYS A 34 -0.021 -13.703 -6.888 1.00 4.58 H new ATOM 0 HE2 LYS A 34 -2.415 -13.912 -7.002 1.00 5.29 H new ATOM 0 HE3 LYS A 34 -2.032 -13.113 -5.490 1.00 5.29 H new ATOM 0 HZ1 LYS A 34 -3.881 -12.068 -6.689 1.00 5.78 H new ATOM 0 HZ2 LYS A 34 -2.588 -10.993 -6.456 1.00 5.78 H new ATOM 0 HZ3 LYS A 34 -2.843 -11.698 -7.980 1.00 5.78 H new ATOM 80 N PRO A 35 2.992 -8.755 -8.790 1.00 2.87 N ATOM 81 CA PRO A 35 4.296 -8.194 -9.147 1.00 2.61 C ATOM 82 C PRO A 35 5.275 -8.244 -7.977 1.00 2.27 C ATOM 83 O PRO A 35 4.889 -8.059 -6.818 1.00 2.34 O ATOM 84 CB PRO A 35 3.974 -6.750 -9.530 1.00 2.80 C ATOM 85 CG PRO A 35 2.714 -6.426 -8.805 1.00 3.20 C ATOM 86 CD PRO A 35 1.950 -7.716 -8.686 1.00 3.15 C ATOM 0 HA PRO A 35 4.781 -8.752 -9.948 1.00 2.61 H new ATOM 0 HB2 PRO A 35 4.780 -6.076 -9.239 1.00 2.80 H new ATOM 0 HB3 PRO A 35 3.846 -6.648 -10.608 1.00 2.80 H new ATOM 0 HG2 PRO A 35 2.928 -6.009 -7.821 1.00 3.20 H new ATOM 0 HG3 PRO A 35 2.134 -5.680 -9.348 1.00 3.20 H new ATOM 0 HD2 PRO A 35 1.416 -7.779 -7.738 1.00 3.15 H new ATOM 0 HD3 PRO A 35 1.207 -7.815 -9.477 1.00 3.15 H new ATOM 94 N LYS A 36 6.541 -8.491 -8.280 1.00 2.07 N ATOM 95 CA LYS A 36 7.550 -8.641 -7.243 1.00 1.82 C ATOM 96 C LYS A 36 8.089 -7.292 -6.788 1.00 1.56 C ATOM 97 O LYS A 36 8.268 -6.378 -7.591 1.00 1.53 O ATOM 98 CB LYS A 36 8.713 -9.509 -7.725 1.00 1.80 C ATOM 99 CG LYS A 36 9.430 -8.953 -8.947 1.00 2.24 C ATOM 100 CD LYS A 36 10.563 -9.858 -9.414 1.00 2.52 C ATOM 101 CE LYS A 36 10.077 -10.977 -10.329 1.00 3.04 C ATOM 102 NZ LYS A 36 9.160 -11.933 -9.648 1.00 3.62 N ATOM 0 H LYS A 36 6.893 -8.591 -9.232 1.00 2.07 H new ATOM 0 HA LYS A 36 7.063 -9.129 -6.399 1.00 1.82 H new ATOM 0 HB2 LYS A 36 9.432 -9.620 -6.913 1.00 1.80 H new ATOM 0 HB3 LYS A 36 8.338 -10.506 -7.958 1.00 1.80 H new ATOM 0 HG2 LYS A 36 8.714 -8.823 -9.758 1.00 2.24 H new ATOM 0 HG3 LYS A 36 9.829 -7.966 -8.714 1.00 2.24 H new ATOM 0 HD2 LYS A 36 11.308 -9.261 -9.940 1.00 2.52 H new ATOM 0 HD3 LYS A 36 11.058 -10.292 -8.546 1.00 2.52 H new ATOM 0 HE2 LYS A 36 9.565 -10.540 -11.187 1.00 3.04 H new ATOM 0 HE3 LYS A 36 10.938 -11.522 -10.715 1.00 3.04 H new ATOM 0 HZ1 LYS A 36 9.235 -12.867 -10.099 1.00 3.62 H new ATOM 0 HZ2 LYS A 36 9.423 -12.011 -8.645 1.00 3.62 H new ATOM 0 HZ3 LYS A 36 8.181 -11.589 -9.724 1.00 3.62 H new ATOM 116 N PRO A 37 8.311 -7.141 -5.482 1.00 1.50 N ATOM 117 CA PRO A 37 8.978 -5.980 -4.918 1.00 1.33 C ATOM 118 C PRO A 37 10.492 -6.184 -4.803 1.00 1.14 C ATOM 119 O PRO A 37 10.969 -6.968 -3.982 1.00 1.27 O ATOM 120 CB PRO A 37 8.325 -5.882 -3.549 1.00 1.52 C ATOM 121 CG PRO A 37 8.047 -7.295 -3.151 1.00 1.74 C ATOM 122 CD PRO A 37 7.896 -8.085 -4.429 1.00 1.75 C ATOM 0 HA PRO A 37 8.875 -5.081 -5.526 1.00 1.33 H new ATOM 0 HB2 PRO A 37 8.984 -5.392 -2.832 1.00 1.52 H new ATOM 0 HB3 PRO A 37 7.407 -5.296 -3.591 1.00 1.52 H new ATOM 0 HG2 PRO A 37 8.860 -7.693 -2.544 1.00 1.74 H new ATOM 0 HG3 PRO A 37 7.140 -7.356 -2.549 1.00 1.74 H new ATOM 0 HD2 PRO A 37 8.522 -8.977 -4.423 1.00 1.75 H new ATOM 0 HD3 PRO A 37 6.868 -8.418 -4.574 1.00 1.75 H new ATOM 130 N THR A 38 11.241 -5.481 -5.632 1.00 0.97 N ATOM 131 CA THR A 38 12.693 -5.603 -5.643 1.00 0.83 C ATOM 132 C THR A 38 13.325 -4.681 -4.595 1.00 0.72 C ATOM 133 O THR A 38 12.620 -3.881 -3.980 1.00 0.65 O ATOM 134 CB THR A 38 13.242 -5.257 -7.039 1.00 0.79 C ATOM 135 OG1 THR A 38 12.762 -3.966 -7.441 1.00 0.85 O ATOM 136 CG2 THR A 38 12.821 -6.306 -8.060 1.00 0.95 C ATOM 0 H THR A 38 10.869 -4.816 -6.310 1.00 0.97 H new ATOM 0 HA THR A 38 12.950 -6.634 -5.399 1.00 0.83 H new ATOM 0 HB THR A 38 14.331 -5.242 -6.990 1.00 0.79 H new ATOM 0 HG1 THR A 38 13.114 -3.748 -8.329 1.00 0.85 H new ATOM 0 HG21 THR A 38 13.220 -6.041 -9.039 1.00 0.95 H new ATOM 0 HG22 THR A 38 13.208 -7.280 -7.762 1.00 0.95 H new ATOM 0 HG23 THR A 38 11.733 -6.348 -8.111 1.00 0.95 H new ATOM 144 N PRO A 39 14.642 -4.789 -4.335 1.00 0.74 N ATOM 145 CA PRO A 39 15.336 -3.841 -3.458 1.00 0.70 C ATOM 146 C PRO A 39 15.088 -2.390 -3.864 1.00 0.62 C ATOM 147 O PRO A 39 14.881 -1.533 -3.011 1.00 0.56 O ATOM 148 CB PRO A 39 16.806 -4.205 -3.628 1.00 0.78 C ATOM 149 CG PRO A 39 16.790 -5.650 -3.993 1.00 0.87 C ATOM 150 CD PRO A 39 15.545 -5.853 -4.816 1.00 0.83 C ATOM 0 HA PRO A 39 14.989 -3.909 -2.427 1.00 0.70 H new ATOM 0 HB2 PRO A 39 17.277 -3.604 -4.406 1.00 0.78 H new ATOM 0 HB3 PRO A 39 17.367 -4.033 -2.709 1.00 0.78 H new ATOM 0 HG2 PRO A 39 17.681 -5.920 -4.560 1.00 0.87 H new ATOM 0 HG3 PRO A 39 16.776 -6.278 -3.102 1.00 0.87 H new ATOM 0 HD2 PRO A 39 15.748 -5.757 -5.883 1.00 0.83 H new ATOM 0 HD3 PRO A 39 15.118 -6.844 -4.661 1.00 0.83 H new ATOM 158 N ASP A 40 15.087 -2.126 -5.169 1.00 0.66 N ATOM 159 CA ASP A 40 14.783 -0.789 -5.687 1.00 0.64 C ATOM 160 C ASP A 40 13.398 -0.344 -5.230 1.00 0.58 C ATOM 161 O ASP A 40 13.189 0.805 -4.833 1.00 0.58 O ATOM 162 CB ASP A 40 14.851 -0.777 -7.214 1.00 0.72 C ATOM 163 CG ASP A 40 14.419 0.551 -7.804 1.00 1.44 C ATOM 164 OD1 ASP A 40 13.288 0.634 -8.330 1.00 2.22 O ATOM 165 OD2 ASP A 40 15.212 1.514 -7.750 1.00 2.15 O ATOM 0 H ASP A 40 15.293 -2.819 -5.889 1.00 0.66 H new ATOM 0 HA ASP A 40 15.527 -0.095 -5.295 1.00 0.64 H new ATOM 0 HB2 ASP A 40 15.870 -0.997 -7.531 1.00 0.72 H new ATOM 0 HB3 ASP A 40 14.216 -1.570 -7.609 1.00 0.72 H new ATOM 170 N TYR A 41 12.463 -1.281 -5.274 1.00 0.57 N ATOM 171 CA TYR A 41 11.107 -1.053 -4.801 1.00 0.54 C ATOM 172 C TYR A 41 11.129 -0.686 -3.318 1.00 0.46 C ATOM 173 O TYR A 41 10.364 0.166 -2.867 1.00 0.43 O ATOM 174 CB TYR A 41 10.268 -2.313 -5.039 1.00 0.61 C ATOM 175 CG TYR A 41 8.783 -2.142 -4.821 1.00 0.63 C ATOM 176 CD1 TYR A 41 8.218 -2.333 -3.571 1.00 0.64 C ATOM 177 CD2 TYR A 41 7.946 -1.808 -5.874 1.00 0.83 C ATOM 178 CE1 TYR A 41 6.857 -2.195 -3.375 1.00 0.69 C ATOM 179 CE2 TYR A 41 6.587 -1.664 -5.686 1.00 0.88 C ATOM 180 CZ TYR A 41 6.046 -1.861 -4.436 1.00 0.73 C ATOM 181 OH TYR A 41 4.693 -1.720 -4.245 1.00 0.81 O ATOM 0 H TYR A 41 12.623 -2.220 -5.638 1.00 0.57 H new ATOM 0 HA TYR A 41 10.659 -0.225 -5.350 1.00 0.54 H new ATOM 0 HB2 TYR A 41 10.433 -2.653 -6.061 1.00 0.61 H new ATOM 0 HB3 TYR A 41 10.629 -3.101 -4.378 1.00 0.61 H new ATOM 0 HD1 TYR A 41 8.851 -2.594 -2.736 1.00 0.64 H new ATOM 0 HD2 TYR A 41 8.365 -1.658 -6.858 1.00 0.83 H new ATOM 0 HE1 TYR A 41 6.432 -2.348 -2.394 1.00 0.69 H new ATOM 0 HE2 TYR A 41 5.950 -1.398 -6.517 1.00 0.88 H new ATOM 0 HH TYR A 41 4.377 -2.407 -3.621 1.00 0.81 H new ATOM 191 N LEU A 42 12.050 -1.296 -2.581 1.00 0.44 N ATOM 192 CA LEU A 42 12.159 -1.076 -1.145 1.00 0.39 C ATOM 193 C LEU A 42 12.887 0.229 -0.841 1.00 0.37 C ATOM 194 O LEU A 42 12.602 0.884 0.161 1.00 0.34 O ATOM 195 CB LEU A 42 12.887 -2.244 -0.472 1.00 0.43 C ATOM 196 CG LEU A 42 13.094 -2.103 1.041 1.00 0.41 C ATOM 197 CD1 LEU A 42 11.761 -1.969 1.758 1.00 0.37 C ATOM 198 CD2 LEU A 42 13.872 -3.286 1.591 1.00 0.48 C ATOM 0 H LEU A 42 12.736 -1.951 -2.958 1.00 0.44 H new ATOM 0 HA LEU A 42 11.147 -1.010 -0.745 1.00 0.39 H new ATOM 0 HB2 LEU A 42 12.325 -3.158 -0.661 1.00 0.43 H new ATOM 0 HB3 LEU A 42 13.861 -2.365 -0.946 1.00 0.43 H new ATOM 0 HG LEU A 42 13.673 -1.197 1.218 1.00 0.41 H new ATOM 0 HD11 LEU A 42 11.933 -1.870 2.830 1.00 0.37 H new ATOM 0 HD12 LEU A 42 11.238 -1.086 1.391 1.00 0.37 H new ATOM 0 HD13 LEU A 42 11.155 -2.855 1.568 1.00 0.37 H new ATOM 0 HD21 LEU A 42 14.007 -3.165 2.666 1.00 0.48 H new ATOM 0 HD22 LEU A 42 13.321 -4.206 1.396 1.00 0.48 H new ATOM 0 HD23 LEU A 42 14.847 -3.337 1.106 1.00 0.48 H new ATOM 210 N MET A 43 13.801 0.630 -1.719 1.00 0.40 N ATOM 211 CA MET A 43 14.612 1.812 -1.464 1.00 0.40 C ATOM 212 C MET A 43 13.758 3.054 -1.642 1.00 0.37 C ATOM 213 O MET A 43 13.929 4.059 -0.953 1.00 0.36 O ATOM 214 CB MET A 43 15.822 1.879 -2.405 1.00 0.47 C ATOM 215 CG MET A 43 16.809 0.725 -2.268 1.00 0.63 C ATOM 216 SD MET A 43 17.411 0.489 -0.581 1.00 0.85 S ATOM 217 CE MET A 43 16.334 -0.826 -0.010 1.00 0.55 C ATOM 0 H MET A 43 13.996 0.159 -2.603 1.00 0.40 H new ATOM 0 HA MET A 43 14.986 1.755 -0.442 1.00 0.40 H new ATOM 0 HB2 MET A 43 15.462 1.910 -3.433 1.00 0.47 H new ATOM 0 HB3 MET A 43 16.352 2.814 -2.225 1.00 0.47 H new ATOM 0 HG2 MET A 43 16.331 -0.194 -2.607 1.00 0.63 H new ATOM 0 HG3 MET A 43 17.659 0.904 -2.927 1.00 0.63 H new ATOM 0 HE1 MET A 43 16.779 -1.309 0.859 1.00 0.55 H new ATOM 0 HE2 MET A 43 15.365 -0.409 0.263 1.00 0.55 H new ATOM 0 HE3 MET A 43 16.202 -1.560 -0.805 1.00 0.55 H new ATOM 227 N GLN A 44 12.813 2.954 -2.562 1.00 0.36 N ATOM 228 CA GLN A 44 11.891 4.044 -2.821 1.00 0.35 C ATOM 229 C GLN A 44 10.809 4.085 -1.753 1.00 0.30 C ATOM 230 O GLN A 44 10.317 5.155 -1.406 1.00 0.30 O ATOM 231 CB GLN A 44 11.265 3.913 -4.205 1.00 0.42 C ATOM 232 CG GLN A 44 12.243 4.144 -5.344 1.00 0.52 C ATOM 233 CD GLN A 44 11.586 3.998 -6.700 1.00 0.64 C ATOM 234 OE1 GLN A 44 11.055 4.957 -7.255 1.00 0.91 O ATOM 235 NE2 GLN A 44 11.626 2.797 -7.248 1.00 0.75 N ATOM 0 H GLN A 44 12.665 2.128 -3.142 1.00 0.36 H new ATOM 0 HA GLN A 44 12.452 4.978 -2.790 1.00 0.35 H new ATOM 0 HB2 GLN A 44 10.833 2.917 -4.306 1.00 0.42 H new ATOM 0 HB3 GLN A 44 10.445 4.626 -4.292 1.00 0.42 H new ATOM 0 HG2 GLN A 44 12.672 5.142 -5.256 1.00 0.52 H new ATOM 0 HG3 GLN A 44 13.067 3.435 -5.263 1.00 0.52 H new ATOM 0 HE21 GLN A 44 12.077 2.026 -6.755 1.00 0.75 H new ATOM 0 HE22 GLN A 44 11.206 2.640 -8.164 1.00 0.75 H new ATOM 244 N LEU A 45 10.439 2.915 -1.225 1.00 0.27 N ATOM 245 CA LEU A 45 9.469 2.839 -0.138 1.00 0.25 C ATOM 246 C LEU A 45 9.959 3.578 1.093 1.00 0.23 C ATOM 247 O LEU A 45 9.161 4.156 1.832 1.00 0.23 O ATOM 248 CB LEU A 45 9.182 1.382 0.227 1.00 0.29 C ATOM 249 CG LEU A 45 8.141 0.674 -0.640 1.00 0.32 C ATOM 250 CD1 LEU A 45 8.032 -0.793 -0.254 1.00 0.38 C ATOM 251 CD2 LEU A 45 6.792 1.360 -0.496 1.00 0.31 C ATOM 0 H LEU A 45 10.798 2.012 -1.534 1.00 0.27 H new ATOM 0 HA LEU A 45 8.552 3.313 -0.488 1.00 0.25 H new ATOM 0 HB2 LEU A 45 10.116 0.822 0.171 1.00 0.29 H new ATOM 0 HB3 LEU A 45 8.850 1.345 1.264 1.00 0.29 H new ATOM 0 HG LEU A 45 8.457 0.731 -1.682 1.00 0.32 H new ATOM 0 HD11 LEU A 45 7.286 -1.280 -0.882 1.00 0.38 H new ATOM 0 HD12 LEU A 45 8.998 -1.279 -0.394 1.00 0.38 H new ATOM 0 HD13 LEU A 45 7.734 -0.873 0.791 1.00 0.38 H new ATOM 0 HD21 LEU A 45 6.056 0.849 -1.117 1.00 0.31 H new ATOM 0 HD22 LEU A 45 6.475 1.324 0.546 1.00 0.31 H new ATOM 0 HD23 LEU A 45 6.876 2.399 -0.814 1.00 0.31 H new ATOM 263 N MET A 46 11.268 3.553 1.316 1.00 0.26 N ATOM 264 CA MET A 46 11.850 4.275 2.432 1.00 0.28 C ATOM 265 C MET A 46 11.495 5.748 2.323 1.00 0.27 C ATOM 266 O MET A 46 10.953 6.338 3.259 1.00 0.41 O ATOM 267 CB MET A 46 13.371 4.112 2.471 1.00 0.33 C ATOM 268 CG MET A 46 13.840 2.670 2.583 1.00 0.39 C ATOM 269 SD MET A 46 15.612 2.539 2.908 1.00 0.49 S ATOM 270 CE MET A 46 16.290 3.504 1.559 1.00 0.49 C ATOM 0 H MET A 46 11.939 3.043 0.741 1.00 0.26 H new ATOM 0 HA MET A 46 11.443 3.861 3.355 1.00 0.28 H new ATOM 0 HB2 MET A 46 13.796 4.551 1.568 1.00 0.33 H new ATOM 0 HB3 MET A 46 13.764 4.677 3.316 1.00 0.33 H new ATOM 0 HG2 MET A 46 13.290 2.174 3.383 1.00 0.39 H new ATOM 0 HG3 MET A 46 13.604 2.142 1.659 1.00 0.39 H new ATOM 0 HE1 MET A 46 17.222 3.052 1.221 1.00 0.49 H new ATOM 0 HE2 MET A 46 15.578 3.527 0.734 1.00 0.49 H new ATOM 0 HE3 MET A 46 16.483 4.521 1.900 1.00 0.49 H new ATOM 280 N ASN A 47 11.814 6.340 1.174 1.00 0.24 N ATOM 281 CA ASN A 47 11.460 7.725 0.892 1.00 0.30 C ATOM 282 C ASN A 47 9.960 7.975 0.998 1.00 0.26 C ATOM 283 O ASN A 47 9.550 9.043 1.450 1.00 0.27 O ATOM 284 CB ASN A 47 11.952 8.124 -0.504 1.00 0.42 C ATOM 285 CG ASN A 47 11.718 9.594 -0.810 1.00 0.80 C ATOM 286 OD1 ASN A 47 12.543 10.447 -0.476 1.00 1.61 O ATOM 287 ND2 ASN A 47 10.606 9.905 -1.456 1.00 1.42 N ATOM 0 H ASN A 47 12.321 5.876 0.420 1.00 0.24 H new ATOM 0 HA ASN A 47 11.950 8.339 1.648 1.00 0.30 H new ATOM 0 HB2 ASN A 47 13.017 7.905 -0.586 1.00 0.42 H new ATOM 0 HB3 ASN A 47 11.443 7.516 -1.252 1.00 0.42 H new ATOM 0 HD21 ASN A 47 10.409 10.877 -1.693 1.00 1.42 H new ATOM 0 HD22 ASN A 47 9.946 9.173 -1.717 1.00 1.42 H new ATOM 294 N ASP A 48 9.138 6.995 0.627 1.00 0.24 N ATOM 295 CA ASP A 48 7.690 7.186 0.623 1.00 0.24 C ATOM 296 C ASP A 48 7.177 7.277 2.055 1.00 0.25 C ATOM 297 O ASP A 48 6.477 8.223 2.423 1.00 0.30 O ATOM 298 CB ASP A 48 6.972 6.032 -0.102 1.00 0.25 C ATOM 299 CG ASP A 48 6.967 6.156 -1.620 1.00 0.29 C ATOM 300 OD1 ASP A 48 7.054 7.291 -2.132 1.00 0.93 O ATOM 301 OD2 ASP A 48 6.828 5.116 -2.310 1.00 0.74 O ATOM 0 H ASP A 48 9.446 6.070 0.328 1.00 0.24 H new ATOM 0 HA ASP A 48 7.477 8.113 0.090 1.00 0.24 H new ATOM 0 HB2 ASP A 48 7.450 5.092 0.173 1.00 0.25 H new ATOM 0 HB3 ASP A 48 5.942 5.981 0.251 1.00 0.25 H new ATOM 306 N LYS A 49 7.544 6.279 2.858 1.00 0.22 N ATOM 307 CA LYS A 49 7.142 6.210 4.260 1.00 0.27 C ATOM 308 C LYS A 49 7.614 7.438 5.039 1.00 0.32 C ATOM 309 O LYS A 49 6.952 7.875 5.981 1.00 0.44 O ATOM 310 CB LYS A 49 7.697 4.932 4.905 1.00 0.31 C ATOM 311 CG LYS A 49 6.742 4.269 5.896 1.00 0.59 C ATOM 312 CD LYS A 49 6.454 5.153 7.099 1.00 0.92 C ATOM 313 CE LYS A 49 7.611 5.171 8.083 1.00 1.45 C ATOM 314 NZ LYS A 49 7.832 3.844 8.715 1.00 2.10 N ATOM 0 H LYS A 49 8.127 5.498 2.555 1.00 0.22 H new ATOM 0 HA LYS A 49 6.053 6.189 4.295 1.00 0.27 H new ATOM 0 HB2 LYS A 49 7.942 4.218 4.119 1.00 0.31 H new ATOM 0 HB3 LYS A 49 8.628 5.172 5.419 1.00 0.31 H new ATOM 0 HG2 LYS A 49 5.806 4.030 5.391 1.00 0.59 H new ATOM 0 HG3 LYS A 49 7.171 3.326 6.235 1.00 0.59 H new ATOM 0 HD2 LYS A 49 6.250 6.169 6.761 1.00 0.92 H new ATOM 0 HD3 LYS A 49 5.555 4.798 7.603 1.00 0.92 H new ATOM 0 HE2 LYS A 49 8.520 5.481 7.567 1.00 1.45 H new ATOM 0 HE3 LYS A 49 7.415 5.912 8.858 1.00 1.45 H new ATOM 0 HZ1 LYS A 49 8.389 3.962 9.585 1.00 2.10 H new ATOM 0 HZ2 LYS A 49 6.914 3.413 8.947 1.00 2.10 H new ATOM 0 HZ3 LYS A 49 8.348 3.227 8.055 1.00 2.10 H new ATOM 328 N LYS A 50 8.740 8.014 4.653 1.00 0.30 N ATOM 329 CA LYS A 50 9.262 9.169 5.367 1.00 0.37 C ATOM 330 C LYS A 50 8.612 10.446 4.854 1.00 0.39 C ATOM 331 O LYS A 50 8.291 11.343 5.631 1.00 0.43 O ATOM 332 CB LYS A 50 10.780 9.260 5.223 1.00 0.42 C ATOM 333 CG LYS A 50 11.529 8.120 5.891 1.00 1.14 C ATOM 334 CD LYS A 50 13.031 8.340 5.834 1.00 1.67 C ATOM 335 CE LYS A 50 13.791 7.212 6.517 1.00 2.35 C ATOM 336 NZ LYS A 50 13.626 5.915 5.809 1.00 3.05 N ATOM 0 H LYS A 50 9.304 7.707 3.861 1.00 0.30 H new ATOM 0 HA LYS A 50 9.024 9.049 6.424 1.00 0.37 H new ATOM 0 HB2 LYS A 50 11.035 9.278 4.163 1.00 0.42 H new ATOM 0 HB3 LYS A 50 11.120 10.204 5.648 1.00 0.42 H new ATOM 0 HG2 LYS A 50 11.211 8.032 6.930 1.00 1.14 H new ATOM 0 HG3 LYS A 50 11.278 7.180 5.400 1.00 1.14 H new ATOM 0 HD2 LYS A 50 13.349 8.415 4.794 1.00 1.67 H new ATOM 0 HD3 LYS A 50 13.279 9.288 6.312 1.00 1.67 H new ATOM 0 HE2 LYS A 50 14.850 7.466 6.564 1.00 2.35 H new ATOM 0 HE3 LYS A 50 13.441 7.110 7.544 1.00 2.35 H new ATOM 0 HZ1 LYS A 50 13.115 5.248 6.422 1.00 3.05 H new ATOM 0 HZ2 LYS A 50 13.086 6.064 4.933 1.00 3.05 H new ATOM 0 HZ3 LYS A 50 14.562 5.525 5.576 1.00 3.05 H new ATOM 350 N LEU A 51 8.429 10.528 3.541 1.00 0.38 N ATOM 351 CA LEU A 51 7.775 11.675 2.931 1.00 0.44 C ATOM 352 C LEU A 51 6.370 11.863 3.500 1.00 0.42 C ATOM 353 O LEU A 51 5.981 12.982 3.829 1.00 0.47 O ATOM 354 CB LEU A 51 7.737 11.506 1.405 1.00 0.48 C ATOM 355 CG LEU A 51 7.478 12.783 0.594 1.00 0.70 C ATOM 356 CD1 LEU A 51 8.080 12.654 -0.794 1.00 1.10 C ATOM 357 CD2 LEU A 51 5.988 13.070 0.486 1.00 1.22 C ATOM 0 H LEU A 51 8.726 9.811 2.879 1.00 0.38 H new ATOM 0 HA LEU A 51 8.348 12.573 3.164 1.00 0.44 H new ATOM 0 HB2 LEU A 51 8.687 11.081 1.082 1.00 0.48 H new ATOM 0 HB3 LEU A 51 6.963 10.779 1.159 1.00 0.48 H new ATOM 0 HG LEU A 51 7.951 13.615 1.116 1.00 0.70 H new ATOM 0 HD11 LEU A 51 7.890 13.566 -1.359 1.00 1.10 H new ATOM 0 HD12 LEU A 51 9.155 12.496 -0.711 1.00 1.10 H new ATOM 0 HD13 LEU A 51 7.628 11.807 -1.309 1.00 1.10 H new ATOM 0 HD21 LEU A 51 5.834 13.980 -0.094 1.00 1.22 H new ATOM 0 HD22 LEU A 51 5.492 12.236 -0.010 1.00 1.22 H new ATOM 0 HD23 LEU A 51 5.569 13.200 1.484 1.00 1.22 H new ATOM 369 N MET A 52 5.617 10.770 3.648 1.00 0.39 N ATOM 370 CA MET A 52 4.253 10.858 4.161 1.00 0.37 C ATOM 371 C MET A 52 4.245 11.352 5.606 1.00 0.41 C ATOM 372 O MET A 52 3.401 12.158 5.989 1.00 0.47 O ATOM 373 CB MET A 52 3.541 9.495 4.065 1.00 0.33 C ATOM 374 CG MET A 52 4.172 8.401 4.910 1.00 1.29 C ATOM 375 SD MET A 52 3.329 6.816 4.760 1.00 1.25 S ATOM 376 CE MET A 52 3.564 6.465 3.020 1.00 0.31 C ATOM 0 H MET A 52 5.927 9.825 3.422 1.00 0.39 H new ATOM 0 HA MET A 52 3.713 11.577 3.545 1.00 0.37 H new ATOM 0 HB2 MET A 52 2.501 9.619 4.368 1.00 0.33 H new ATOM 0 HB3 MET A 52 3.533 9.175 3.023 1.00 0.33 H new ATOM 0 HG2 MET A 52 5.215 8.280 4.617 1.00 1.29 H new ATOM 0 HG3 MET A 52 4.168 8.710 5.955 1.00 1.29 H new ATOM 0 HE1 MET A 52 3.781 5.405 2.889 1.00 0.31 H new ATOM 0 HE2 MET A 52 2.657 6.721 2.472 1.00 0.31 H new ATOM 0 HE3 MET A 52 4.397 7.055 2.639 1.00 0.31 H new ATOM 386 N SER A 53 5.209 10.893 6.394 1.00 0.40 N ATOM 387 CA SER A 53 5.292 11.264 7.796 1.00 0.47 C ATOM 388 C SER A 53 5.914 12.651 7.971 1.00 0.50 C ATOM 389 O SER A 53 6.138 13.105 9.093 1.00 0.62 O ATOM 390 CB SER A 53 6.079 10.204 8.573 1.00 0.52 C ATOM 391 OG SER A 53 7.259 9.826 7.882 1.00 1.15 O ATOM 0 H SER A 53 5.946 10.261 6.082 1.00 0.40 H new ATOM 0 HA SER A 53 4.280 11.312 8.199 1.00 0.47 H new ATOM 0 HB2 SER A 53 6.340 10.592 9.558 1.00 0.52 H new ATOM 0 HB3 SER A 53 5.452 9.327 8.732 1.00 0.52 H new ATOM 0 HG SER A 53 7.074 9.043 7.323 1.00 1.15 H new ATOM 397 N SER A 54 6.188 13.321 6.857 1.00 0.49 N ATOM 398 CA SER A 54 6.727 14.671 6.885 1.00 0.53 C ATOM 399 C SER A 54 5.672 15.647 6.365 1.00 0.53 C ATOM 400 O SER A 54 5.820 16.865 6.461 1.00 0.53 O ATOM 401 CB SER A 54 8.002 14.746 6.033 1.00 0.60 C ATOM 402 OG SER A 54 8.685 15.980 6.207 1.00 1.30 O ATOM 0 H SER A 54 6.044 12.946 5.919 1.00 0.49 H new ATOM 0 HA SER A 54 6.985 14.941 7.909 1.00 0.53 H new ATOM 0 HB2 SER A 54 8.665 13.923 6.300 1.00 0.60 H new ATOM 0 HB3 SER A 54 7.744 14.619 4.982 1.00 0.60 H new ATOM 0 HG SER A 54 8.035 16.713 6.235 1.00 1.30 H new ATOM 408 N LEU A 55 4.603 15.086 5.815 1.00 0.54 N ATOM 409 CA LEU A 55 3.506 15.881 5.285 1.00 0.57 C ATOM 410 C LEU A 55 2.530 16.250 6.397 1.00 0.65 C ATOM 411 O LEU A 55 1.965 15.371 7.050 1.00 0.65 O ATOM 412 CB LEU A 55 2.767 15.139 4.169 1.00 0.51 C ATOM 413 CG LEU A 55 3.596 14.823 2.921 1.00 0.53 C ATOM 414 CD1 LEU A 55 2.705 14.256 1.830 1.00 0.56 C ATOM 415 CD2 LEU A 55 4.324 16.064 2.422 1.00 0.64 C ATOM 0 H LEU A 55 4.473 14.078 5.725 1.00 0.54 H new ATOM 0 HA LEU A 55 3.932 16.792 4.864 1.00 0.57 H new ATOM 0 HB2 LEU A 55 2.381 14.203 4.573 1.00 0.51 H new ATOM 0 HB3 LEU A 55 1.906 15.736 3.869 1.00 0.51 H new ATOM 0 HG LEU A 55 4.345 14.077 3.187 1.00 0.53 H new ATOM 0 HD11 LEU A 55 3.306 14.035 0.948 1.00 0.56 H new ATOM 0 HD12 LEU A 55 2.232 13.340 2.185 1.00 0.56 H new ATOM 0 HD13 LEU A 55 1.936 14.985 1.573 1.00 0.56 H new ATOM 0 HD21 LEU A 55 4.906 15.813 1.535 1.00 0.64 H new ATOM 0 HD22 LEU A 55 3.597 16.837 2.172 1.00 0.64 H new ATOM 0 HD23 LEU A 55 4.992 16.432 3.201 1.00 0.64 H new ATOM 427 N PRO A 56 2.314 17.557 6.630 1.00 0.81 N ATOM 428 CA PRO A 56 1.389 18.043 7.661 1.00 0.94 C ATOM 429 C PRO A 56 -0.072 17.828 7.276 1.00 0.88 C ATOM 430 O PRO A 56 -0.982 18.236 7.996 1.00 1.19 O ATOM 431 CB PRO A 56 1.691 19.546 7.761 1.00 1.14 C ATOM 432 CG PRO A 56 2.921 19.772 6.946 1.00 1.26 C ATOM 433 CD PRO A 56 2.958 18.674 5.925 1.00 0.98 C ATOM 0 HA PRO A 56 1.527 17.508 8.601 1.00 0.94 H new ATOM 0 HB2 PRO A 56 0.858 20.138 7.382 1.00 1.14 H new ATOM 0 HB3 PRO A 56 1.849 19.844 8.797 1.00 1.14 H new ATOM 0 HG2 PRO A 56 2.894 20.750 6.465 1.00 1.26 H new ATOM 0 HG3 PRO A 56 3.812 19.750 7.573 1.00 1.26 H new ATOM 0 HD2 PRO A 56 2.418 18.946 5.018 1.00 0.98 H new ATOM 0 HD3 PRO A 56 3.978 18.431 5.628 1.00 0.98 H new ATOM 441 N ASN A 57 -0.292 17.182 6.140 1.00 0.63 N ATOM 442 CA ASN A 57 -1.640 16.921 5.657 1.00 0.62 C ATOM 443 C ASN A 57 -1.902 15.425 5.618 1.00 0.57 C ATOM 444 O ASN A 57 -2.900 14.966 5.063 1.00 0.59 O ATOM 445 CB ASN A 57 -1.852 17.528 4.266 1.00 0.68 C ATOM 446 CG ASN A 57 -1.825 19.043 4.281 1.00 1.32 C ATOM 447 OD1 ASN A 57 -2.844 19.692 4.522 1.00 2.22 O ATOM 448 ND2 ASN A 57 -0.665 19.619 4.014 1.00 1.73 N ATOM 0 H ASN A 57 0.448 16.828 5.534 1.00 0.63 H new ATOM 0 HA ASN A 57 -2.344 17.389 6.345 1.00 0.62 H new ATOM 0 HB2 ASN A 57 -1.078 17.161 3.592 1.00 0.68 H new ATOM 0 HB3 ASN A 57 -2.808 17.189 3.868 1.00 0.68 H new ATOM 0 HD21 ASN A 57 -0.591 20.636 4.003 1.00 1.73 H new ATOM 0 HD22 ASN A 57 0.156 19.046 3.820 1.00 1.73 H new ATOM 455 N PHE A 58 -1.014 14.659 6.235 1.00 0.62 N ATOM 456 CA PHE A 58 -1.149 13.225 6.238 1.00 0.70 C ATOM 457 C PHE A 58 -2.026 12.823 7.416 1.00 0.90 C ATOM 458 O PHE A 58 -2.842 13.627 7.867 1.00 1.77 O ATOM 459 CB PHE A 58 0.229 12.553 6.300 1.00 0.69 C ATOM 460 CG PHE A 58 0.229 11.139 5.781 1.00 0.65 C ATOM 461 CD1 PHE A 58 -0.113 10.873 4.464 1.00 0.89 C ATOM 462 CD2 PHE A 58 0.566 10.079 6.607 1.00 1.13 C ATOM 463 CE1 PHE A 58 -0.120 9.580 3.982 1.00 0.90 C ATOM 464 CE2 PHE A 58 0.561 8.782 6.131 1.00 1.15 C ATOM 465 CZ PHE A 58 0.217 8.533 4.816 1.00 0.69 C ATOM 0 H PHE A 58 -0.199 15.012 6.736 1.00 0.62 H new ATOM 0 HA PHE A 58 -1.622 12.891 5.314 1.00 0.70 H new ATOM 0 HB2 PHE A 58 0.940 13.144 5.722 1.00 0.69 H new ATOM 0 HB3 PHE A 58 0.579 12.553 7.332 1.00 0.69 H new ATOM 0 HD1 PHE A 58 -0.377 11.688 3.807 1.00 0.89 H new ATOM 0 HD2 PHE A 58 0.836 10.269 7.635 1.00 1.13 H new ATOM 0 HE1 PHE A 58 -0.389 9.388 2.954 1.00 0.90 H new ATOM 0 HE2 PHE A 58 0.825 7.964 6.785 1.00 1.15 H new ATOM 0 HZ PHE A 58 0.212 7.520 4.441 1.00 0.69 H new ATOM 475 N SER A 59 -1.800 11.619 7.926 1.00 0.91 N ATOM 476 CA SER A 59 -2.673 10.982 8.920 1.00 1.02 C ATOM 477 C SER A 59 -4.105 11.518 8.816 1.00 1.10 C ATOM 478 O SER A 59 -4.638 12.101 9.762 1.00 1.84 O ATOM 479 CB SER A 59 -2.107 11.211 10.327 1.00 1.21 C ATOM 480 OG SER A 59 -2.756 10.399 11.293 1.00 1.84 O ATOM 0 H SER A 59 -0.998 11.046 7.662 1.00 0.91 H new ATOM 0 HA SER A 59 -2.707 9.911 8.722 1.00 1.02 H new ATOM 0 HB2 SER A 59 -1.039 10.995 10.329 1.00 1.21 H new ATOM 0 HB3 SER A 59 -2.221 12.261 10.598 1.00 1.21 H new ATOM 0 HG SER A 59 -2.369 10.570 12.177 1.00 1.84 H new ATOM 486 N GLY A 60 -4.724 11.327 7.657 1.00 0.91 N ATOM 487 CA GLY A 60 -5.986 11.980 7.394 1.00 0.87 C ATOM 488 C GLY A 60 -6.413 11.876 5.946 1.00 0.66 C ATOM 489 O GLY A 60 -7.498 11.369 5.662 1.00 0.73 O ATOM 0 H GLY A 60 -4.376 10.736 6.902 1.00 0.91 H new ATOM 0 HA2 GLY A 60 -6.756 11.539 8.027 1.00 0.87 H new ATOM 0 HA3 GLY A 60 -5.910 13.032 7.670 1.00 0.87 H new ATOM 493 N ILE A 61 -5.570 12.350 5.021 1.00 0.50 N ATOM 494 CA ILE A 61 -5.922 12.307 3.603 1.00 0.54 C ATOM 495 C ILE A 61 -6.133 10.873 3.133 1.00 0.73 C ATOM 496 O ILE A 61 -7.150 10.567 2.518 1.00 1.81 O ATOM 497 CB ILE A 61 -4.892 13.017 2.687 1.00 0.58 C ATOM 498 CG1 ILE A 61 -3.464 12.509 2.940 1.00 0.64 C ATOM 499 CG2 ILE A 61 -4.980 14.525 2.873 1.00 0.79 C ATOM 500 CD1 ILE A 61 -2.408 13.218 2.119 1.00 0.78 C ATOM 0 H ILE A 61 -4.658 12.759 5.225 1.00 0.50 H new ATOM 0 HA ILE A 61 -6.857 12.860 3.517 1.00 0.54 H new ATOM 0 HB ILE A 61 -5.136 12.778 1.652 1.00 0.58 H new ATOM 0 HG12 ILE A 61 -3.228 12.627 3.998 1.00 0.64 H new ATOM 0 HG13 ILE A 61 -3.424 11.442 2.722 1.00 0.64 H new ATOM 0 HG21 ILE A 61 -4.253 15.015 2.225 1.00 0.79 H new ATOM 0 HG22 ILE A 61 -5.983 14.866 2.615 1.00 0.79 H new ATOM 0 HG23 ILE A 61 -4.768 14.776 3.912 1.00 0.79 H new ATOM 0 HD11 ILE A 61 -1.427 12.804 2.353 1.00 0.78 H new ATOM 0 HD12 ILE A 61 -2.617 13.078 1.058 1.00 0.78 H new ATOM 0 HD13 ILE A 61 -2.418 14.282 2.354 1.00 0.78 H new ATOM 512 N PHE A 62 -5.188 9.989 3.424 1.00 0.58 N ATOM 513 CA PHE A 62 -5.343 8.586 3.089 1.00 0.50 C ATOM 514 C PHE A 62 -5.443 7.770 4.366 1.00 0.51 C ATOM 515 O PHE A 62 -4.751 8.049 5.348 1.00 0.76 O ATOM 516 CB PHE A 62 -4.145 8.115 2.267 1.00 0.50 C ATOM 517 CG PHE A 62 -3.884 8.951 1.050 1.00 0.48 C ATOM 518 CD1 PHE A 62 -4.916 9.290 0.193 1.00 0.48 C ATOM 519 CD2 PHE A 62 -2.606 9.403 0.767 1.00 0.63 C ATOM 520 CE1 PHE A 62 -4.679 10.064 -0.919 1.00 0.53 C ATOM 521 CE2 PHE A 62 -2.367 10.177 -0.350 1.00 0.68 C ATOM 522 CZ PHE A 62 -3.404 10.507 -1.190 1.00 0.59 C ATOM 0 H PHE A 62 -4.310 10.220 3.890 1.00 0.58 H new ATOM 0 HA PHE A 62 -6.251 8.452 2.502 1.00 0.50 H new ATOM 0 HB2 PHE A 62 -3.257 8.121 2.899 1.00 0.50 H new ATOM 0 HB3 PHE A 62 -4.310 7.082 1.959 1.00 0.50 H new ATOM 0 HD1 PHE A 62 -5.918 8.943 0.399 1.00 0.48 H new ATOM 0 HD2 PHE A 62 -1.789 9.148 1.426 1.00 0.63 H new ATOM 0 HE1 PHE A 62 -5.493 10.324 -1.579 1.00 0.53 H new ATOM 0 HE2 PHE A 62 -1.367 10.523 -0.564 1.00 0.68 H new ATOM 0 HZ PHE A 62 -3.218 11.114 -2.063 1.00 0.59 H new ATOM 532 N THR A 63 -6.305 6.768 4.349 1.00 0.34 N ATOM 533 CA THR A 63 -6.563 5.963 5.527 1.00 0.38 C ATOM 534 C THR A 63 -5.619 4.763 5.619 1.00 0.30 C ATOM 535 O THR A 63 -4.824 4.659 6.551 1.00 0.38 O ATOM 536 CB THR A 63 -8.021 5.464 5.530 1.00 0.48 C ATOM 537 OG1 THR A 63 -8.912 6.565 5.303 1.00 0.78 O ATOM 538 CG2 THR A 63 -8.367 4.794 6.852 1.00 0.66 C ATOM 0 H THR A 63 -6.841 6.492 3.526 1.00 0.34 H new ATOM 0 HA THR A 63 -6.389 6.601 6.393 1.00 0.38 H new ATOM 0 HB THR A 63 -8.131 4.730 4.732 1.00 0.48 H new ATOM 0 HG1 THR A 63 -8.857 6.842 4.365 1.00 0.78 H new ATOM 0 HG21 THR A 63 -9.401 4.451 6.827 1.00 0.66 H new ATOM 0 HG22 THR A 63 -7.706 3.942 7.012 1.00 0.66 H new ATOM 0 HG23 THR A 63 -8.241 5.508 7.666 1.00 0.66 H new ATOM 546 N HIS A 64 -5.700 3.864 4.646 1.00 0.26 N ATOM 547 CA HIS A 64 -4.988 2.589 4.733 1.00 0.25 C ATOM 548 C HIS A 64 -3.594 2.657 4.135 1.00 0.25 C ATOM 549 O HIS A 64 -2.798 1.733 4.304 1.00 0.54 O ATOM 550 CB HIS A 64 -5.781 1.481 4.051 1.00 0.33 C ATOM 551 CG HIS A 64 -7.116 1.241 4.672 1.00 0.43 C ATOM 552 ND1 HIS A 64 -7.285 0.923 6.000 1.00 0.86 N ATOM 553 CD2 HIS A 64 -8.352 1.277 4.139 1.00 0.71 C ATOM 554 CE1 HIS A 64 -8.568 0.771 6.256 1.00 0.83 C ATOM 555 NE2 HIS A 64 -9.242 0.979 5.142 1.00 0.68 N ATOM 0 H HIS A 64 -6.246 3.989 3.793 1.00 0.26 H new ATOM 0 HA HIS A 64 -4.883 2.366 5.795 1.00 0.25 H new ATOM 0 HB2 HIS A 64 -5.918 1.736 3.000 1.00 0.33 H new ATOM 0 HB3 HIS A 64 -5.202 0.558 4.082 1.00 0.33 H new ATOM 0 HD1 HIS A 64 -6.533 0.821 6.681 1.00 0.86 H new ATOM 0 HD2 HIS A 64 -8.598 1.499 3.111 1.00 0.71 H new ATOM 0 HE1 HIS A 64 -8.995 0.519 7.215 1.00 0.83 H new ATOM 564 N LEU A 65 -3.299 3.746 3.444 1.00 0.32 N ATOM 565 CA LEU A 65 -2.060 3.869 2.683 1.00 0.22 C ATOM 566 C LEU A 65 -0.830 3.708 3.581 1.00 0.20 C ATOM 567 O LEU A 65 0.120 3.014 3.219 1.00 0.24 O ATOM 568 CB LEU A 65 -2.033 5.221 1.957 1.00 0.29 C ATOM 569 CG LEU A 65 -2.797 5.281 0.620 1.00 0.36 C ATOM 570 CD1 LEU A 65 -2.084 4.470 -0.444 1.00 0.84 C ATOM 571 CD2 LEU A 65 -4.227 4.781 0.770 1.00 0.99 C ATOM 0 H LEU A 65 -3.904 4.565 3.393 1.00 0.32 H new ATOM 0 HA LEU A 65 -2.027 3.066 1.946 1.00 0.22 H new ATOM 0 HB2 LEU A 65 -2.446 5.978 2.624 1.00 0.29 H new ATOM 0 HB3 LEU A 65 -0.994 5.492 1.772 1.00 0.29 H new ATOM 0 HG LEU A 65 -2.828 6.327 0.314 1.00 0.36 H new ATOM 0 HD11 LEU A 65 -2.641 4.527 -1.379 1.00 0.84 H new ATOM 0 HD12 LEU A 65 -1.081 4.869 -0.594 1.00 0.84 H new ATOM 0 HD13 LEU A 65 -2.016 3.430 -0.125 1.00 0.84 H new ATOM 0 HD21 LEU A 65 -4.735 4.838 -0.193 1.00 0.99 H new ATOM 0 HD22 LEU A 65 -4.217 3.747 1.114 1.00 0.99 H new ATOM 0 HD23 LEU A 65 -4.755 5.400 1.496 1.00 0.99 H new ATOM 583 N GLU A 66 -0.857 4.339 4.751 1.00 0.30 N ATOM 584 CA GLU A 66 0.241 4.238 5.713 1.00 0.40 C ATOM 585 C GLU A 66 0.503 2.786 6.122 1.00 0.38 C ATOM 586 O GLU A 66 1.644 2.313 6.072 1.00 0.38 O ATOM 587 CB GLU A 66 -0.079 5.073 6.951 1.00 0.53 C ATOM 588 CG GLU A 66 1.053 5.128 7.962 1.00 0.88 C ATOM 589 CD GLU A 66 0.696 5.948 9.182 1.00 1.12 C ATOM 590 OE1 GLU A 66 0.734 7.193 9.099 1.00 1.75 O ATOM 591 OE2 GLU A 66 0.369 5.352 10.231 1.00 1.75 O ATOM 0 H GLU A 66 -1.630 4.929 5.059 1.00 0.30 H new ATOM 0 HA GLU A 66 1.143 4.618 5.233 1.00 0.40 H new ATOM 0 HB2 GLU A 66 -0.325 6.088 6.640 1.00 0.53 H new ATOM 0 HB3 GLU A 66 -0.966 4.664 7.435 1.00 0.53 H new ATOM 0 HG2 GLU A 66 1.310 4.115 8.271 1.00 0.88 H new ATOM 0 HG3 GLU A 66 1.939 5.552 7.489 1.00 0.88 H new ATOM 598 N ARG A 67 -0.557 2.088 6.528 1.00 0.42 N ATOM 599 CA ARG A 67 -0.457 0.682 6.925 1.00 0.44 C ATOM 600 C ARG A 67 0.154 -0.164 5.813 1.00 0.39 C ATOM 601 O ARG A 67 0.910 -1.099 6.076 1.00 0.40 O ATOM 602 CB ARG A 67 -1.836 0.121 7.294 1.00 0.54 C ATOM 603 CG ARG A 67 -1.868 -1.401 7.365 1.00 0.74 C ATOM 604 CD ARG A 67 -3.260 -1.925 7.678 1.00 0.86 C ATOM 605 NE ARG A 67 -3.457 -3.281 7.163 1.00 1.08 N ATOM 606 CZ ARG A 67 -4.363 -4.138 7.634 1.00 1.45 C ATOM 607 NH1 ARG A 67 -5.095 -3.822 8.693 1.00 1.71 N ATOM 608 NH2 ARG A 67 -4.530 -5.317 7.044 1.00 2.07 N ATOM 0 H ARG A 67 -1.499 2.474 6.591 1.00 0.42 H new ATOM 0 HA ARG A 67 0.194 0.636 7.798 1.00 0.44 H new ATOM 0 HB2 ARG A 67 -2.141 0.529 8.258 1.00 0.54 H new ATOM 0 HB3 ARG A 67 -2.567 0.459 6.559 1.00 0.54 H new ATOM 0 HG2 ARG A 67 -1.529 -1.816 6.416 1.00 0.74 H new ATOM 0 HG3 ARG A 67 -1.171 -1.743 8.130 1.00 0.74 H new ATOM 0 HD2 ARG A 67 -3.417 -1.919 8.757 1.00 0.86 H new ATOM 0 HD3 ARG A 67 -4.006 -1.259 7.244 1.00 0.86 H new ATOM 0 HE ARG A 67 -2.863 -3.590 6.394 1.00 1.08 H new ATOM 0 HH11 ARG A 67 -4.966 -2.920 9.151 1.00 1.71 H new ATOM 0 HH12 ARG A 67 -5.787 -4.481 9.050 1.00 1.71 H new ATOM 0 HH21 ARG A 67 -3.965 -5.565 6.232 1.00 2.07 H new ATOM 0 HH22 ARG A 67 -5.223 -5.974 7.403 1.00 2.07 H new ATOM 622 N LEU A 68 -0.163 0.176 4.573 1.00 0.35 N ATOM 623 CA LEU A 68 0.285 -0.609 3.437 1.00 0.34 C ATOM 624 C LEU A 68 1.795 -0.527 3.238 1.00 0.31 C ATOM 625 O LEU A 68 2.386 -1.426 2.658 1.00 0.40 O ATOM 626 CB LEU A 68 -0.466 -0.203 2.172 1.00 0.33 C ATOM 627 CG LEU A 68 -1.894 -0.741 2.086 1.00 0.41 C ATOM 628 CD1 LEU A 68 -2.534 -0.346 0.770 1.00 0.37 C ATOM 629 CD2 LEU A 68 -1.904 -2.254 2.249 1.00 0.61 C ATOM 0 H LEU A 68 -0.728 0.990 4.330 1.00 0.35 H new ATOM 0 HA LEU A 68 0.055 -1.653 3.651 1.00 0.34 H new ATOM 0 HB2 LEU A 68 -0.497 0.885 2.116 1.00 0.33 H new ATOM 0 HB3 LEU A 68 0.094 -0.552 1.304 1.00 0.33 H new ATOM 0 HG LEU A 68 -2.475 -0.302 2.897 1.00 0.41 H new ATOM 0 HD11 LEU A 68 -3.550 -0.738 0.727 1.00 0.37 H new ATOM 0 HD12 LEU A 68 -2.561 0.741 0.690 1.00 0.37 H new ATOM 0 HD13 LEU A 68 -1.952 -0.756 -0.055 1.00 0.37 H new ATOM 0 HD21 LEU A 68 -2.929 -2.620 2.185 1.00 0.61 H new ATOM 0 HD22 LEU A 68 -1.306 -2.709 1.459 1.00 0.61 H new ATOM 0 HD23 LEU A 68 -1.484 -2.518 3.220 1.00 0.61 H new ATOM 641 N LEU A 69 2.429 0.523 3.745 1.00 0.27 N ATOM 642 CA LEU A 69 3.889 0.582 3.717 1.00 0.24 C ATOM 643 C LEU A 69 4.445 -0.277 4.845 1.00 0.25 C ATOM 644 O LEU A 69 5.416 -1.030 4.682 1.00 0.26 O ATOM 645 CB LEU A 69 4.422 2.019 3.848 1.00 0.25 C ATOM 646 CG LEU A 69 4.402 2.873 2.570 1.00 0.23 C ATOM 647 CD1 LEU A 69 5.748 3.532 2.350 1.00 0.25 C ATOM 648 CD2 LEU A 69 4.026 2.045 1.358 1.00 0.30 C ATOM 0 H LEU A 69 1.971 1.328 4.171 1.00 0.27 H new ATOM 0 HA LEU A 69 4.218 0.204 2.749 1.00 0.24 H new ATOM 0 HB2 LEU A 69 3.837 2.532 4.611 1.00 0.25 H new ATOM 0 HB3 LEU A 69 5.449 1.971 4.211 1.00 0.25 H new ATOM 0 HG LEU A 69 3.645 3.646 2.702 1.00 0.23 H new ATOM 0 HD11 LEU A 69 5.715 4.132 1.441 1.00 0.25 H new ATOM 0 HD12 LEU A 69 5.983 4.173 3.200 1.00 0.25 H new ATOM 0 HD13 LEU A 69 6.517 2.765 2.251 1.00 0.25 H new ATOM 0 HD21 LEU A 69 4.021 2.679 0.471 1.00 0.30 H new ATOM 0 HD22 LEU A 69 4.752 1.242 1.226 1.00 0.30 H new ATOM 0 HD23 LEU A 69 3.034 1.617 1.503 1.00 0.30 H new ATOM 660 N ASP A 70 3.773 -0.219 5.979 1.00 0.29 N ATOM 661 CA ASP A 70 4.219 -0.948 7.144 1.00 0.35 C ATOM 662 C ASP A 70 4.137 -2.436 6.857 1.00 0.38 C ATOM 663 O ASP A 70 4.981 -3.214 7.299 1.00 0.43 O ATOM 664 CB ASP A 70 3.381 -0.574 8.365 1.00 0.43 C ATOM 665 CG ASP A 70 3.820 -1.296 9.618 1.00 0.91 C ATOM 666 OD1 ASP A 70 4.935 -1.020 10.109 1.00 1.62 O ATOM 667 OD2 ASP A 70 3.049 -2.136 10.127 1.00 1.56 O ATOM 0 H ASP A 70 2.920 0.324 6.115 1.00 0.29 H new ATOM 0 HA ASP A 70 5.253 -0.686 7.366 1.00 0.35 H new ATOM 0 HB2 ASP A 70 3.446 0.502 8.529 1.00 0.43 H new ATOM 0 HB3 ASP A 70 2.334 -0.804 8.166 1.00 0.43 H new ATOM 672 N GLU A 71 3.110 -2.829 6.109 1.00 0.42 N ATOM 673 CA GLU A 71 3.002 -4.181 5.586 1.00 0.50 C ATOM 674 C GLU A 71 3.972 -4.460 4.444 1.00 0.45 C ATOM 675 O GLU A 71 4.781 -5.379 4.532 1.00 0.48 O ATOM 676 CB GLU A 71 1.585 -4.427 5.096 1.00 0.61 C ATOM 677 CG GLU A 71 0.641 -4.881 6.192 1.00 0.94 C ATOM 678 CD GLU A 71 1.276 -5.910 7.106 1.00 1.47 C ATOM 679 OE1 GLU A 71 1.238 -7.113 6.782 1.00 2.14 O ATOM 680 OE2 GLU A 71 1.827 -5.512 8.152 1.00 2.18 O ATOM 0 H GLU A 71 2.334 -2.220 5.851 1.00 0.42 H new ATOM 0 HA GLU A 71 3.257 -4.854 6.405 1.00 0.50 H new ATOM 0 HB2 GLU A 71 1.198 -3.511 4.650 1.00 0.61 H new ATOM 0 HB3 GLU A 71 1.606 -5.181 4.309 1.00 0.61 H new ATOM 0 HG2 GLU A 71 0.329 -4.018 6.781 1.00 0.94 H new ATOM 0 HG3 GLU A 71 -0.258 -5.302 5.743 1.00 0.94 H new ATOM 687 N GLU A 72 3.893 -3.665 3.381 1.00 0.43 N ATOM 688 CA GLU A 72 4.670 -3.932 2.171 1.00 0.45 C ATOM 689 C GLU A 72 6.156 -3.890 2.488 1.00 0.42 C ATOM 690 O GLU A 72 6.881 -4.833 2.216 1.00 0.47 O ATOM 691 CB GLU A 72 4.348 -2.920 1.067 1.00 0.46 C ATOM 692 CG GLU A 72 5.123 -3.146 -0.226 1.00 0.57 C ATOM 693 CD GLU A 72 4.668 -4.376 -0.995 1.00 0.91 C ATOM 694 OE1 GLU A 72 4.583 -5.466 -0.394 1.00 1.69 O ATOM 695 OE2 GLU A 72 4.408 -4.254 -2.211 1.00 1.33 O ATOM 0 H GLU A 72 3.303 -2.835 3.331 1.00 0.43 H new ATOM 0 HA GLU A 72 4.401 -4.925 1.812 1.00 0.45 H new ATOM 0 HB2 GLU A 72 3.280 -2.961 0.851 1.00 0.46 H new ATOM 0 HB3 GLU A 72 4.560 -1.916 1.435 1.00 0.46 H new ATOM 0 HG2 GLU A 72 5.016 -2.268 -0.863 1.00 0.57 H new ATOM 0 HG3 GLU A 72 6.183 -3.244 0.007 1.00 0.57 H new ATOM 702 N ILE A 73 6.580 -2.814 3.126 1.00 0.35 N ATOM 703 CA ILE A 73 7.987 -2.615 3.451 1.00 0.34 C ATOM 704 C ILE A 73 8.513 -3.777 4.274 1.00 0.40 C ATOM 705 O ILE A 73 9.580 -4.323 3.990 1.00 0.45 O ATOM 706 CB ILE A 73 8.207 -1.283 4.211 1.00 0.29 C ATOM 707 CG1 ILE A 73 8.083 -0.110 3.241 1.00 0.27 C ATOM 708 CG2 ILE A 73 9.550 -1.259 4.929 1.00 0.33 C ATOM 709 CD1 ILE A 73 8.252 1.245 3.886 1.00 0.27 C ATOM 0 H ILE A 73 5.968 -2.058 3.433 1.00 0.35 H new ATOM 0 HA ILE A 73 8.539 -2.566 2.513 1.00 0.34 H new ATOM 0 HB ILE A 73 7.436 -1.194 4.977 1.00 0.29 H new ATOM 0 HG12 ILE A 73 8.830 -0.222 2.455 1.00 0.27 H new ATOM 0 HG13 ILE A 73 7.106 -0.152 2.760 1.00 0.27 H new ATOM 0 HG21 ILE A 73 9.667 -0.309 5.450 1.00 0.33 H new ATOM 0 HG22 ILE A 73 9.592 -2.076 5.650 1.00 0.33 H new ATOM 0 HG23 ILE A 73 10.354 -1.375 4.202 1.00 0.33 H new ATOM 0 HD11 ILE A 73 8.150 2.023 3.130 1.00 0.27 H new ATOM 0 HD12 ILE A 73 7.489 1.381 4.652 1.00 0.27 H new ATOM 0 HD13 ILE A 73 9.240 1.310 4.342 1.00 0.27 H new ATOM 721 N SER A 74 7.747 -4.171 5.281 1.00 0.41 N ATOM 722 CA SER A 74 8.158 -5.294 6.130 1.00 0.49 C ATOM 723 C SER A 74 8.210 -6.621 5.347 1.00 0.54 C ATOM 724 O SER A 74 9.159 -7.406 5.489 1.00 0.60 O ATOM 725 CB SER A 74 7.242 -5.431 7.354 1.00 0.52 C ATOM 726 OG SER A 74 5.898 -5.670 6.981 1.00 1.34 O ATOM 0 H SER A 74 6.855 -3.744 5.532 1.00 0.41 H new ATOM 0 HA SER A 74 9.168 -5.073 6.476 1.00 0.49 H new ATOM 0 HB2 SER A 74 7.595 -6.248 7.983 1.00 0.52 H new ATOM 0 HB3 SER A 74 7.297 -4.522 7.953 1.00 0.52 H new ATOM 0 HG SER A 74 5.341 -4.916 7.265 1.00 1.34 H new ATOM 732 N ARG A 75 7.214 -6.865 4.501 1.00 0.55 N ATOM 733 CA ARG A 75 7.131 -8.140 3.791 1.00 0.63 C ATOM 734 C ARG A 75 8.179 -8.211 2.685 1.00 0.65 C ATOM 735 O ARG A 75 8.731 -9.276 2.417 1.00 0.72 O ATOM 736 CB ARG A 75 5.728 -8.391 3.224 1.00 0.74 C ATOM 737 CG ARG A 75 5.279 -7.375 2.194 1.00 0.76 C ATOM 738 CD ARG A 75 3.943 -7.750 1.576 1.00 1.25 C ATOM 739 NE ARG A 75 4.022 -9.003 0.826 1.00 1.84 N ATOM 740 CZ ARG A 75 4.217 -9.073 -0.490 1.00 2.73 C ATOM 741 NH1 ARG A 75 4.380 -7.967 -1.209 1.00 3.05 N ATOM 742 NH2 ARG A 75 4.268 -10.256 -1.086 1.00 3.67 N ATOM 0 H ARG A 75 6.462 -6.208 4.291 1.00 0.55 H new ATOM 0 HA ARG A 75 7.334 -8.928 4.516 1.00 0.63 H new ATOM 0 HB2 ARG A 75 5.704 -9.383 2.773 1.00 0.74 H new ATOM 0 HB3 ARG A 75 5.013 -8.397 4.046 1.00 0.74 H new ATOM 0 HG2 ARG A 75 5.200 -6.394 2.662 1.00 0.76 H new ATOM 0 HG3 ARG A 75 6.032 -7.295 1.410 1.00 0.76 H new ATOM 0 HD2 ARG A 75 3.193 -7.844 2.361 1.00 1.25 H new ATOM 0 HD3 ARG A 75 3.612 -6.950 0.913 1.00 1.25 H new ATOM 0 HE ARG A 75 3.922 -9.877 1.342 1.00 1.84 H new ATOM 0 HH11 ARG A 75 4.356 -7.055 -0.754 1.00 3.05 H new ATOM 0 HH12 ARG A 75 4.529 -8.031 -2.216 1.00 3.05 H new ATOM 0 HH21 ARG A 75 4.158 -11.109 -0.537 1.00 3.67 H new ATOM 0 HH22 ARG A 75 4.417 -10.314 -2.093 1.00 3.67 H new ATOM 756 N VAL A 76 8.468 -7.065 2.076 1.00 0.62 N ATOM 757 CA VAL A 76 9.488 -6.961 1.034 1.00 0.67 C ATOM 758 C VAL A 76 10.844 -7.435 1.547 1.00 0.71 C ATOM 759 O VAL A 76 11.620 -8.048 0.812 1.00 0.84 O ATOM 760 CB VAL A 76 9.612 -5.505 0.521 1.00 0.61 C ATOM 761 CG1 VAL A 76 10.845 -5.327 -0.344 1.00 0.64 C ATOM 762 CG2 VAL A 76 8.370 -5.102 -0.252 1.00 0.58 C ATOM 0 H VAL A 76 8.003 -6.182 2.289 1.00 0.62 H new ATOM 0 HA VAL A 76 9.176 -7.602 0.209 1.00 0.67 H new ATOM 0 HB VAL A 76 9.712 -4.857 1.392 1.00 0.61 H new ATOM 0 HG11 VAL A 76 10.902 -4.294 -0.688 1.00 0.64 H new ATOM 0 HG12 VAL A 76 11.735 -5.566 0.238 1.00 0.64 H new ATOM 0 HG13 VAL A 76 10.785 -5.993 -1.205 1.00 0.64 H new ATOM 0 HG21 VAL A 76 8.477 -4.076 -0.604 1.00 0.58 H new ATOM 0 HG22 VAL A 76 8.241 -5.767 -1.106 1.00 0.58 H new ATOM 0 HG23 VAL A 76 7.498 -5.173 0.398 1.00 0.58 H new ATOM 772 N ARG A 77 11.109 -7.176 2.822 1.00 0.65 N ATOM 773 CA ARG A 77 12.378 -7.547 3.434 1.00 0.73 C ATOM 774 C ARG A 77 12.590 -9.056 3.373 1.00 0.86 C ATOM 775 O ARG A 77 13.693 -9.528 3.108 1.00 0.98 O ATOM 776 CB ARG A 77 12.424 -7.074 4.884 1.00 0.75 C ATOM 777 CG ARG A 77 12.310 -5.568 5.039 1.00 0.81 C ATOM 778 CD ARG A 77 12.197 -5.181 6.503 1.00 0.84 C ATOM 779 NE ARG A 77 12.010 -3.746 6.691 1.00 1.39 N ATOM 780 CZ ARG A 77 11.585 -3.199 7.828 1.00 1.71 C ATOM 781 NH1 ARG A 77 11.299 -3.972 8.871 1.00 1.45 N ATOM 782 NH2 ARG A 77 11.447 -1.882 7.922 1.00 2.73 N ATOM 0 H ARG A 77 10.459 -6.709 3.454 1.00 0.65 H new ATOM 0 HA ARG A 77 13.178 -7.062 2.875 1.00 0.73 H new ATOM 0 HB2 ARG A 77 11.615 -7.550 5.438 1.00 0.75 H new ATOM 0 HB3 ARG A 77 13.358 -7.407 5.336 1.00 0.75 H new ATOM 0 HG2 ARG A 77 13.182 -5.086 4.598 1.00 0.81 H new ATOM 0 HG3 ARG A 77 11.437 -5.207 4.495 1.00 0.81 H new ATOM 0 HD2 ARG A 77 11.360 -5.715 6.953 1.00 0.84 H new ATOM 0 HD3 ARG A 77 13.097 -5.498 7.030 1.00 0.84 H new ATOM 0 HE ARG A 77 12.217 -3.127 5.907 1.00 1.39 H new ATOM 0 HH11 ARG A 77 11.405 -4.984 8.800 1.00 1.45 H new ATOM 0 HH12 ARG A 77 10.973 -3.553 9.742 1.00 1.45 H new ATOM 0 HH21 ARG A 77 11.667 -1.288 7.123 1.00 2.73 H new ATOM 0 HH22 ARG A 77 11.121 -1.464 8.794 1.00 2.73 H new ATOM 796 N LYS A 78 11.526 -9.811 3.618 1.00 0.90 N ATOM 797 CA LYS A 78 11.600 -11.267 3.543 1.00 1.08 C ATOM 798 C LYS A 78 11.437 -11.746 2.109 1.00 1.11 C ATOM 799 O LYS A 78 12.073 -12.712 1.684 1.00 1.32 O ATOM 800 CB LYS A 78 10.529 -11.911 4.419 1.00 1.13 C ATOM 801 CG LYS A 78 10.721 -11.659 5.900 1.00 1.35 C ATOM 802 CD LYS A 78 10.094 -10.346 6.322 1.00 2.01 C ATOM 803 CE LYS A 78 8.594 -10.490 6.520 1.00 2.67 C ATOM 804 NZ LYS A 78 8.021 -9.337 7.259 1.00 3.44 N ATOM 0 H LYS A 78 10.608 -9.444 3.869 1.00 0.90 H new ATOM 0 HA LYS A 78 12.583 -11.565 3.906 1.00 1.08 H new ATOM 0 HB2 LYS A 78 9.551 -11.533 4.119 1.00 1.13 H new ATOM 0 HB3 LYS A 78 10.524 -12.986 4.240 1.00 1.13 H new ATOM 0 HG2 LYS A 78 10.278 -12.476 6.470 1.00 1.35 H new ATOM 0 HG3 LYS A 78 11.786 -11.648 6.134 1.00 1.35 H new ATOM 0 HD2 LYS A 78 10.554 -10.002 7.248 1.00 2.01 H new ATOM 0 HD3 LYS A 78 10.292 -9.586 5.566 1.00 2.01 H new ATOM 0 HE2 LYS A 78 8.106 -10.578 5.549 1.00 2.67 H new ATOM 0 HE3 LYS A 78 8.386 -11.411 7.066 1.00 2.67 H new ATOM 0 HZ1 LYS A 78 7.027 -9.207 6.982 1.00 3.44 H new ATOM 0 HZ2 LYS A 78 8.075 -9.519 8.282 1.00 3.44 H new ATOM 0 HZ3 LYS A 78 8.559 -8.477 7.032 1.00 3.44 H new ATOM 818 N ASP A 79 10.563 -11.067 1.382 1.00 1.01 N ATOM 819 CA ASP A 79 10.268 -11.404 -0.016 1.00 1.19 C ATOM 820 C ASP A 79 11.515 -11.363 -0.906 1.00 1.41 C ATOM 821 O ASP A 79 11.552 -11.997 -1.961 1.00 1.67 O ATOM 822 CB ASP A 79 9.207 -10.455 -0.581 1.00 1.23 C ATOM 823 CG ASP A 79 8.673 -10.915 -1.924 1.00 1.58 C ATOM 824 OD1 ASP A 79 9.243 -10.530 -2.966 1.00 2.21 O ATOM 825 OD2 ASP A 79 7.679 -11.678 -1.945 1.00 1.94 O ATOM 0 H ASP A 79 10.036 -10.269 1.736 1.00 1.01 H new ATOM 0 HA ASP A 79 9.892 -12.427 -0.019 1.00 1.19 H new ATOM 0 HB2 ASP A 79 8.382 -10.375 0.127 1.00 1.23 H new ATOM 0 HB3 ASP A 79 9.635 -9.458 -0.686 1.00 1.23 H new ATOM 830 N MET A 80 12.548 -10.657 -0.466 1.00 1.50 N ATOM 831 CA MET A 80 13.749 -10.500 -1.273 1.00 1.83 C ATOM 832 C MET A 80 14.826 -11.475 -0.815 1.00 2.15 C ATOM 833 O MET A 80 14.729 -12.041 0.276 1.00 2.62 O ATOM 834 CB MET A 80 14.269 -9.062 -1.207 1.00 2.04 C ATOM 835 CG MET A 80 14.747 -8.638 0.174 1.00 1.57 C ATOM 836 SD MET A 80 15.585 -7.040 0.161 1.00 1.42 S ATOM 837 CE MET A 80 14.340 -6.013 -0.609 1.00 0.99 C ATOM 0 H MET A 80 12.578 -10.187 0.439 1.00 1.50 H new ATOM 0 HA MET A 80 13.493 -10.721 -2.309 1.00 1.83 H new ATOM 0 HB2 MET A 80 15.091 -8.951 -1.914 1.00 2.04 H new ATOM 0 HB3 MET A 80 13.478 -8.385 -1.530 1.00 2.04 H new ATOM 0 HG2 MET A 80 13.894 -8.591 0.851 1.00 1.57 H new ATOM 0 HG3 MET A 80 15.424 -9.396 0.568 1.00 1.57 H new ATOM 0 HE1 MET A 80 14.577 -4.963 -0.437 1.00 0.99 H new ATOM 0 HE2 MET A 80 14.319 -6.209 -1.681 1.00 0.99 H new ATOM 0 HE3 MET A 80 13.364 -6.240 -0.179 1.00 0.99 H new ATOM 847 N TYR A 81 15.851 -11.649 -1.650 1.00 2.56 N ATOM 848 CA TYR A 81 16.921 -12.618 -1.405 1.00 3.12 C ATOM 849 C TYR A 81 16.367 -14.038 -1.379 1.00 3.69 C ATOM 850 O TYR A 81 16.215 -14.632 -2.471 1.00 4.24 O ATOM 851 CB TYR A 81 17.675 -12.316 -0.103 1.00 3.70 C ATOM 852 CG TYR A 81 18.460 -11.025 -0.129 1.00 4.11 C ATOM 853 CD1 TYR A 81 18.063 -9.932 0.628 1.00 4.28 C ATOM 854 CD2 TYR A 81 19.602 -10.904 -0.909 1.00 4.77 C ATOM 855 CE1 TYR A 81 18.782 -8.753 0.608 1.00 4.93 C ATOM 856 CE2 TYR A 81 20.326 -9.728 -0.934 1.00 5.51 C ATOM 857 CZ TYR A 81 19.912 -8.656 -0.175 1.00 5.52 C ATOM 858 OH TYR A 81 20.633 -7.482 -0.194 1.00 6.40 O ATOM 859 OXT TYR A 81 16.087 -14.559 -0.278 1.00 4.07 O ATOM 0 H TYR A 81 15.963 -11.122 -2.516 1.00 2.56 H new ATOM 0 HA TYR A 81 17.631 -12.532 -2.227 1.00 3.12 H new ATOM 0 HB2 TYR A 81 16.959 -12.277 0.718 1.00 3.70 H new ATOM 0 HB3 TYR A 81 18.357 -13.139 0.108 1.00 3.70 H new ATOM 0 HD1 TYR A 81 17.178 -10.004 1.243 1.00 4.28 H new ATOM 0 HD2 TYR A 81 19.929 -11.743 -1.506 1.00 4.77 H new ATOM 0 HE1 TYR A 81 18.460 -7.911 1.203 1.00 4.93 H new ATOM 0 HE2 TYR A 81 21.213 -9.650 -1.546 1.00 5.51 H new ATOM 0 HH TYR A 81 21.401 -7.579 -0.795 1.00 6.40 H new TER 869 TYR A 81 ATOM 870 N GLY B -2 5.817 -16.126 13.264 1.00 7.36 N ATOM 871 CA GLY B -2 6.585 -15.849 12.026 1.00 7.05 C ATOM 872 C GLY B -2 7.126 -14.440 12.001 1.00 6.50 C ATOM 873 O GLY B -2 7.164 -13.767 13.031 1.00 6.41 O ATOM 0 H1 GLY B -2 6.209 -16.966 13.735 1.00 7.36 H new ATOM 0 H2 GLY B -2 5.882 -15.308 13.903 1.00 7.36 H new ATOM 0 H3 GLY B -2 4.820 -16.298 13.023 1.00 7.36 H new ATOM 0 HA2 GLY B -2 7.411 -16.556 11.945 1.00 7.05 H new ATOM 0 HA3 GLY B -2 5.944 -16.007 11.159 1.00 7.05 H new ATOM 879 N SER B -1 7.545 -13.985 10.832 1.00 6.41 N ATOM 880 CA SER B -1 8.075 -12.643 10.691 1.00 6.10 C ATOM 881 C SER B -1 6.927 -11.638 10.584 1.00 5.79 C ATOM 882 O SER B -1 6.537 -11.234 9.482 1.00 6.09 O ATOM 883 CB SER B -1 8.989 -12.565 9.466 1.00 6.39 C ATOM 884 OG SER B -1 9.662 -11.319 9.402 1.00 6.64 O ATOM 0 H SER B -1 7.528 -14.527 9.968 1.00 6.41 H new ATOM 0 HA SER B -1 8.667 -12.395 11.572 1.00 6.10 H new ATOM 0 HB2 SER B -1 9.719 -13.373 9.503 1.00 6.39 H new ATOM 0 HB3 SER B -1 8.400 -12.709 8.560 1.00 6.39 H new ATOM 0 HG SER B -1 10.530 -11.438 8.963 1.00 6.64 H new ATOM 890 N LYS B 32 6.390 -11.269 11.751 1.00 5.47 N ATOM 891 CA LYS B 32 5.278 -10.321 11.872 1.00 5.31 C ATOM 892 C LYS B 32 3.965 -10.944 11.392 1.00 4.83 C ATOM 893 O LYS B 32 3.914 -11.605 10.351 1.00 4.65 O ATOM 894 CB LYS B 32 5.561 -9.030 11.097 1.00 5.58 C ATOM 895 CG LYS B 32 4.571 -7.917 11.394 1.00 6.01 C ATOM 896 CD LYS B 32 4.719 -6.771 10.414 1.00 6.39 C ATOM 897 CE LYS B 32 3.801 -5.615 10.764 1.00 7.09 C ATOM 898 NZ LYS B 32 3.749 -4.612 9.674 1.00 7.47 N ATOM 0 H LYS B 32 6.719 -11.624 12.649 1.00 5.47 H new ATOM 0 HA LYS B 32 5.178 -10.074 12.929 1.00 5.31 H new ATOM 0 HB2 LYS B 32 6.567 -8.685 11.336 1.00 5.58 H new ATOM 0 HB3 LYS B 32 5.544 -9.245 10.029 1.00 5.58 H new ATOM 0 HG2 LYS B 32 3.555 -8.309 11.347 1.00 6.01 H new ATOM 0 HG3 LYS B 32 4.725 -7.552 12.409 1.00 6.01 H new ATOM 0 HD2 LYS B 32 5.753 -6.427 10.409 1.00 6.39 H new ATOM 0 HD3 LYS B 32 4.495 -7.122 9.407 1.00 6.39 H new ATOM 0 HE2 LYS B 32 2.798 -5.993 10.960 1.00 7.09 H new ATOM 0 HE3 LYS B 32 4.147 -5.139 11.681 1.00 7.09 H new ATOM 0 HZ1 LYS B 32 3.253 -3.761 10.009 1.00 7.47 H new ATOM 0 HZ2 LYS B 32 4.717 -4.359 9.388 1.00 7.47 H new ATOM 0 HZ3 LYS B 32 3.241 -5.011 8.859 1.00 7.47 H new ATOM 912 N GLU B 33 2.906 -10.728 12.157 1.00 4.82 N ATOM 913 CA GLU B 33 1.595 -11.261 11.823 1.00 4.46 C ATOM 914 C GLU B 33 0.954 -10.416 10.731 1.00 4.00 C ATOM 915 O GLU B 33 1.126 -9.194 10.699 1.00 4.07 O ATOM 916 CB GLU B 33 0.705 -11.293 13.069 1.00 4.70 C ATOM 917 CG GLU B 33 -0.682 -11.870 12.830 1.00 4.79 C ATOM 918 CD GLU B 33 -1.512 -11.935 14.095 1.00 4.98 C ATOM 919 OE1 GLU B 33 -1.461 -12.972 14.794 1.00 5.29 O ATOM 920 OE2 GLU B 33 -2.221 -10.952 14.402 1.00 5.19 O ATOM 0 H GLU B 33 2.930 -10.183 13.019 1.00 4.82 H new ATOM 0 HA GLU B 33 1.709 -12.280 11.454 1.00 4.46 H new ATOM 0 HB2 GLU B 33 1.202 -11.879 13.842 1.00 4.70 H new ATOM 0 HB3 GLU B 33 0.603 -10.279 13.455 1.00 4.70 H new ATOM 0 HG2 GLU B 33 -1.202 -11.262 12.090 1.00 4.79 H new ATOM 0 HG3 GLU B 33 -0.587 -12.871 12.410 1.00 4.79 H new ATOM 927 N LYS B 34 0.243 -11.068 9.826 1.00 3.73 N ATOM 928 CA LYS B 34 -0.420 -10.372 8.736 1.00 3.44 C ATOM 929 C LYS B 34 -1.864 -10.062 9.112 1.00 3.03 C ATOM 930 O LYS B 34 -2.681 -10.974 9.271 1.00 3.00 O ATOM 931 CB LYS B 34 -0.381 -11.196 7.441 1.00 3.71 C ATOM 932 CG LYS B 34 1.019 -11.395 6.868 1.00 4.14 C ATOM 933 CD LYS B 34 1.809 -12.442 7.639 1.00 4.59 C ATOM 934 CE LYS B 34 3.255 -12.504 7.179 1.00 5.29 C ATOM 935 NZ LYS B 34 4.002 -11.267 7.534 1.00 5.79 N ATOM 0 H LYS B 34 0.110 -12.079 9.825 1.00 3.73 H new ATOM 0 HA LYS B 34 0.115 -9.439 8.560 1.00 3.44 H new ATOM 0 HB2 LYS B 34 -0.826 -12.173 7.632 1.00 3.71 H new ATOM 0 HB3 LYS B 34 -1.001 -10.704 6.692 1.00 3.71 H new ATOM 0 HG2 LYS B 34 0.943 -11.695 5.823 1.00 4.14 H new ATOM 0 HG3 LYS B 34 1.557 -10.447 6.889 1.00 4.14 H new ATOM 0 HD2 LYS B 34 1.775 -12.212 8.704 1.00 4.59 H new ATOM 0 HD3 LYS B 34 1.343 -13.419 7.509 1.00 4.59 H new ATOM 0 HE2 LYS B 34 3.744 -13.366 7.632 1.00 5.29 H new ATOM 0 HE3 LYS B 34 3.287 -12.651 6.099 1.00 5.29 H new ATOM 0 HZ1 LYS B 34 5.007 -11.388 7.295 1.00 5.79 H new ATOM 0 HZ2 LYS B 34 3.614 -10.462 7.002 1.00 5.79 H new ATOM 0 HZ3 LYS B 34 3.908 -11.085 8.554 1.00 5.79 H new ATOM 949 N PRO B 35 -2.193 -8.773 9.277 1.00 2.88 N ATOM 950 CA PRO B 35 -3.548 -8.347 9.620 1.00 2.61 C ATOM 951 C PRO B 35 -4.512 -8.532 8.451 1.00 2.27 C ATOM 952 O PRO B 35 -4.144 -8.339 7.287 1.00 2.34 O ATOM 953 CB PRO B 35 -3.383 -6.865 9.964 1.00 2.80 C ATOM 954 CG PRO B 35 -2.163 -6.430 9.227 1.00 3.20 C ATOM 955 CD PRO B 35 -1.267 -7.632 9.141 1.00 3.15 C ATOM 0 HA PRO B 35 -3.973 -8.932 10.436 1.00 2.61 H new ATOM 0 HB2 PRO B 35 -4.256 -6.289 9.656 1.00 2.80 H new ATOM 0 HB3 PRO B 35 -3.268 -6.720 11.038 1.00 2.80 H new ATOM 0 HG2 PRO B 35 -2.420 -6.065 8.232 1.00 3.20 H new ATOM 0 HG3 PRO B 35 -1.666 -5.612 9.748 1.00 3.20 H new ATOM 0 HD2 PRO B 35 -0.730 -7.664 8.193 1.00 3.15 H new ATOM 0 HD3 PRO B 35 -0.517 -7.629 9.932 1.00 3.15 H new ATOM 963 N LYS B 36 -5.745 -8.902 8.760 1.00 2.08 N ATOM 964 CA LYS B 36 -6.731 -9.188 7.729 1.00 1.82 C ATOM 965 C LYS B 36 -7.408 -7.917 7.238 1.00 1.56 C ATOM 966 O LYS B 36 -7.683 -7.003 8.018 1.00 1.53 O ATOM 967 CB LYS B 36 -7.795 -10.159 8.237 1.00 1.80 C ATOM 968 CG LYS B 36 -8.567 -9.651 9.448 1.00 2.24 C ATOM 969 CD LYS B 36 -9.596 -10.661 9.938 1.00 2.52 C ATOM 970 CE LYS B 36 -8.994 -11.700 10.878 1.00 3.04 C ATOM 971 NZ LYS B 36 -7.978 -12.564 10.217 1.00 3.62 N ATOM 0 H LYS B 36 -6.087 -9.011 9.715 1.00 2.08 H new ATOM 0 HA LYS B 36 -6.195 -9.646 6.898 1.00 1.82 H new ATOM 0 HB2 LYS B 36 -8.499 -10.366 7.431 1.00 1.80 H new ATOM 0 HB3 LYS B 36 -7.317 -11.104 8.494 1.00 1.80 H new ATOM 0 HG2 LYS B 36 -7.869 -9.426 10.254 1.00 2.24 H new ATOM 0 HG3 LYS B 36 -9.069 -8.718 9.192 1.00 2.24 H new ATOM 0 HD2 LYS B 36 -10.401 -10.135 10.451 1.00 2.52 H new ATOM 0 HD3 LYS B 36 -10.041 -11.166 9.081 1.00 2.52 H new ATOM 0 HE2 LYS B 36 -8.534 -11.192 11.726 1.00 3.04 H new ATOM 0 HE3 LYS B 36 -9.792 -12.327 11.276 1.00 3.04 H new ATOM 0 HZ1 LYS B 36 -7.915 -13.472 10.719 1.00 3.62 H new ATOM 0 HZ2 LYS B 36 -8.256 -12.733 9.229 1.00 3.62 H new ATOM 0 HZ3 LYS B 36 -7.052 -12.091 10.240 1.00 3.62 H new ATOM 985 N PRO B 37 -7.642 -7.829 5.927 1.00 1.50 N ATOM 986 CA PRO B 37 -8.428 -6.762 5.333 1.00 1.33 C ATOM 987 C PRO B 37 -9.912 -7.129 5.222 1.00 1.15 C ATOM 988 O PRO B 37 -10.300 -7.979 4.418 1.00 1.28 O ATOM 989 CB PRO B 37 -7.788 -6.631 3.961 1.00 1.52 C ATOM 990 CG PRO B 37 -7.358 -8.017 3.601 1.00 1.75 C ATOM 991 CD PRO B 37 -7.127 -8.753 4.900 1.00 1.75 C ATOM 0 HA PRO B 37 -8.422 -5.843 5.919 1.00 1.33 H new ATOM 0 HB2 PRO B 37 -8.495 -6.235 3.232 1.00 1.52 H new ATOM 0 HB3 PRO B 37 -6.939 -5.948 3.985 1.00 1.52 H new ATOM 0 HG2 PRO B 37 -8.122 -8.516 3.004 1.00 1.75 H new ATOM 0 HG3 PRO B 37 -6.448 -7.996 3.001 1.00 1.75 H new ATOM 0 HD2 PRO B 37 -7.656 -9.706 4.919 1.00 1.75 H new ATOM 0 HD3 PRO B 37 -6.070 -8.972 5.053 1.00 1.75 H new ATOM 999 N THR B 38 -10.736 -6.486 6.031 1.00 0.97 N ATOM 1000 CA THR B 38 -12.165 -6.760 6.046 1.00 0.84 C ATOM 1001 C THR B 38 -12.890 -5.940 4.975 1.00 0.72 C ATOM 1002 O THR B 38 -12.275 -5.082 4.341 1.00 0.66 O ATOM 1003 CB THR B 38 -12.757 -6.441 7.435 1.00 0.79 C ATOM 1004 OG1 THR B 38 -12.441 -5.092 7.809 1.00 0.85 O ATOM 1005 CG2 THR B 38 -12.220 -7.402 8.485 1.00 0.95 C ATOM 0 H THR B 38 -10.439 -5.766 6.690 1.00 0.97 H new ATOM 0 HA THR B 38 -12.307 -7.819 5.829 1.00 0.84 H new ATOM 0 HB THR B 38 -13.839 -6.556 7.378 1.00 0.79 H new ATOM 0 HG1 THR B 38 -12.823 -4.899 8.691 1.00 0.85 H new ATOM 0 HG21 THR B 38 -12.651 -7.158 9.456 1.00 0.95 H new ATOM 0 HG22 THR B 38 -12.489 -8.423 8.215 1.00 0.95 H new ATOM 0 HG23 THR B 38 -11.135 -7.314 8.537 1.00 0.95 H new ATOM 1013 N PRO B 39 -14.187 -6.197 4.719 1.00 0.74 N ATOM 1014 CA PRO B 39 -14.977 -5.355 3.815 1.00 0.70 C ATOM 1015 C PRO B 39 -14.888 -3.874 4.180 1.00 0.62 C ATOM 1016 O PRO B 39 -14.780 -3.022 3.304 1.00 0.56 O ATOM 1017 CB PRO B 39 -16.401 -5.869 3.996 1.00 0.78 C ATOM 1018 CG PRO B 39 -16.230 -7.293 4.402 1.00 0.87 C ATOM 1019 CD PRO B 39 -14.972 -7.338 5.230 1.00 0.83 C ATOM 0 HA PRO B 39 -14.621 -5.416 2.787 1.00 0.70 H new ATOM 0 HB2 PRO B 39 -16.936 -5.300 4.757 1.00 0.78 H new ATOM 0 HB3 PRO B 39 -16.975 -5.785 3.073 1.00 0.78 H new ATOM 0 HG2 PRO B 39 -17.088 -7.641 4.976 1.00 0.87 H new ATOM 0 HG3 PRO B 39 -16.147 -7.941 3.529 1.00 0.87 H new ATOM 0 HD2 PRO B 39 -15.187 -7.234 6.294 1.00 0.83 H new ATOM 0 HD3 PRO B 39 -14.440 -8.281 5.103 1.00 0.83 H new ATOM 1027 N ASP B 40 -14.914 -3.575 5.478 1.00 0.65 N ATOM 1028 CA ASP B 40 -14.757 -2.199 5.959 1.00 0.64 C ATOM 1029 C ASP B 40 -13.427 -1.623 5.491 1.00 0.57 C ATOM 1030 O ASP B 40 -13.342 -0.469 5.060 1.00 0.57 O ATOM 1031 CB ASP B 40 -14.828 -2.149 7.488 1.00 0.72 C ATOM 1032 CG ASP B 40 -14.543 -0.764 8.035 1.00 1.44 C ATOM 1033 OD1 ASP B 40 -13.426 -0.538 8.549 1.00 2.22 O ATOM 1034 OD2 ASP B 40 -15.433 0.106 7.952 1.00 2.16 O ATOM 0 H ASP B 40 -15.042 -4.266 6.217 1.00 0.65 H new ATOM 0 HA ASP B 40 -15.571 -1.602 5.548 1.00 0.64 H new ATOM 0 HB2 ASP B 40 -15.818 -2.469 7.814 1.00 0.72 H new ATOM 0 HB3 ASP B 40 -14.111 -2.856 7.906 1.00 0.72 H new ATOM 1039 N TYR B 41 -12.395 -2.448 5.566 1.00 0.57 N ATOM 1040 CA TYR B 41 -11.072 -2.089 5.083 1.00 0.54 C ATOM 1041 C TYR B 41 -11.130 -1.770 3.590 1.00 0.46 C ATOM 1042 O TYR B 41 -10.461 -0.852 3.115 1.00 0.43 O ATOM 1043 CB TYR B 41 -10.106 -3.247 5.354 1.00 0.61 C ATOM 1044 CG TYR B 41 -8.647 -2.926 5.131 1.00 0.63 C ATOM 1045 CD1 TYR B 41 -8.062 -3.091 3.887 1.00 0.64 C ATOM 1046 CD2 TYR B 41 -7.853 -2.477 6.175 1.00 0.84 C ATOM 1047 CE1 TYR B 41 -6.724 -2.815 3.685 1.00 0.69 C ATOM 1048 CE2 TYR B 41 -6.515 -2.196 5.982 1.00 0.88 C ATOM 1049 CZ TYR B 41 -5.954 -2.370 4.736 1.00 0.73 C ATOM 1050 OH TYR B 41 -4.622 -2.090 4.541 1.00 0.82 O ATOM 0 H TYR B 41 -12.451 -3.386 5.964 1.00 0.57 H new ATOM 0 HA TYR B 41 -10.717 -1.201 5.606 1.00 0.54 H new ATOM 0 HB2 TYR B 41 -10.237 -3.576 6.385 1.00 0.61 H new ATOM 0 HB3 TYR B 41 -10.380 -4.086 4.715 1.00 0.61 H new ATOM 0 HD1 TYR B 41 -8.662 -3.442 3.060 1.00 0.64 H new ATOM 0 HD2 TYR B 41 -8.288 -2.345 7.155 1.00 0.84 H new ATOM 0 HE1 TYR B 41 -6.284 -2.948 2.708 1.00 0.69 H new ATOM 0 HE2 TYR B 41 -5.911 -1.841 6.804 1.00 0.88 H new ATOM 0 HH TYR B 41 -4.229 -2.764 3.948 1.00 0.82 H new ATOM 1060 N LEU B 42 -11.979 -2.497 2.870 1.00 0.44 N ATOM 1061 CA LEU B 42 -12.105 -2.329 1.427 1.00 0.39 C ATOM 1062 C LEU B 42 -12.970 -1.120 1.085 1.00 0.36 C ATOM 1063 O LEU B 42 -12.756 -0.465 0.066 1.00 0.34 O ATOM 1064 CB LEU B 42 -12.703 -3.589 0.787 1.00 0.43 C ATOM 1065 CG LEU B 42 -12.920 -3.512 -0.731 1.00 0.41 C ATOM 1066 CD1 LEU B 42 -11.608 -3.255 -1.450 1.00 0.37 C ATOM 1067 CD2 LEU B 42 -13.566 -4.787 -1.250 1.00 0.48 C ATOM 0 H LEU B 42 -12.592 -3.211 3.265 1.00 0.44 H new ATOM 0 HA LEU B 42 -11.105 -2.164 1.027 1.00 0.39 H new ATOM 0 HB2 LEU B 42 -12.047 -4.432 1.002 1.00 0.43 H new ATOM 0 HB3 LEU B 42 -13.660 -3.800 1.264 1.00 0.43 H new ATOM 0 HG LEU B 42 -13.593 -2.679 -0.932 1.00 0.41 H new ATOM 0 HD11 LEU B 42 -11.786 -3.204 -2.524 1.00 0.37 H new ATOM 0 HD12 LEU B 42 -11.184 -2.311 -1.107 1.00 0.37 H new ATOM 0 HD13 LEU B 42 -10.911 -4.065 -1.235 1.00 0.37 H new ATOM 0 HD21 LEU B 42 -13.710 -4.709 -2.328 1.00 0.48 H new ATOM 0 HD22 LEU B 42 -12.920 -5.637 -1.031 1.00 0.48 H new ATOM 0 HD23 LEU B 42 -14.531 -4.930 -0.764 1.00 0.48 H new ATOM 1079 N MET B 43 -13.925 -0.796 1.952 1.00 0.39 N ATOM 1080 CA MET B 43 -14.858 0.285 1.666 1.00 0.40 C ATOM 1081 C MET B 43 -14.140 1.613 1.810 1.00 0.36 C ATOM 1082 O MET B 43 -14.414 2.572 1.090 1.00 0.36 O ATOM 1083 CB MET B 43 -16.071 0.248 2.605 1.00 0.47 C ATOM 1084 CG MET B 43 -16.927 -1.008 2.500 1.00 0.63 C ATOM 1085 SD MET B 43 -17.497 -1.356 0.822 1.00 0.85 S ATOM 1086 CE MET B 43 -16.282 -2.562 0.284 1.00 0.54 C ATOM 0 H MET B 43 -14.071 -1.261 2.848 1.00 0.39 H new ATOM 0 HA MET B 43 -15.223 0.162 0.646 1.00 0.40 H new ATOM 0 HB2 MET B 43 -15.720 0.346 3.632 1.00 0.47 H new ATOM 0 HB3 MET B 43 -16.698 1.115 2.399 1.00 0.47 H new ATOM 0 HG2 MET B 43 -16.353 -1.860 2.864 1.00 0.63 H new ATOM 0 HG3 MET B 43 -17.792 -0.904 3.154 1.00 0.63 H new ATOM 0 HE1 MET B 43 -15.869 -2.258 -0.678 1.00 0.54 H new ATOM 0 HE2 MET B 43 -15.480 -2.624 1.020 1.00 0.54 H new ATOM 0 HE3 MET B 43 -16.758 -3.538 0.183 1.00 0.54 H new ATOM 1096 N GLN B 44 -13.192 1.641 2.730 1.00 0.36 N ATOM 1097 CA GLN B 44 -12.392 2.830 2.960 1.00 0.35 C ATOM 1098 C GLN B 44 -11.319 2.958 1.888 1.00 0.30 C ATOM 1099 O GLN B 44 -10.949 4.065 1.508 1.00 0.30 O ATOM 1100 CB GLN B 44 -11.758 2.805 4.346 1.00 0.42 C ATOM 1101 CG GLN B 44 -12.755 2.960 5.479 1.00 0.52 C ATOM 1102 CD GLN B 44 -12.088 2.934 6.836 1.00 0.64 C ATOM 1103 OE1 GLN B 44 -11.668 3.966 7.353 1.00 0.92 O ATOM 1104 NE2 GLN B 44 -11.997 1.755 7.427 1.00 0.75 N ATOM 0 H GLN B 44 -12.957 0.851 3.331 1.00 0.36 H new ATOM 0 HA GLN B 44 -13.050 3.698 2.906 1.00 0.35 H new ATOM 0 HB2 GLN B 44 -11.222 1.865 4.473 1.00 0.42 H new ATOM 0 HB3 GLN B 44 -11.020 3.604 4.412 1.00 0.42 H new ATOM 0 HG2 GLN B 44 -13.295 3.899 5.360 1.00 0.52 H new ATOM 0 HG3 GLN B 44 -13.493 2.159 5.423 1.00 0.52 H new ATOM 0 HE21 GLN B 44 -12.359 0.922 6.962 1.00 0.75 H new ATOM 0 HE22 GLN B 44 -11.565 1.678 8.348 1.00 0.75 H new ATOM 1113 N LEU B 45 -10.824 1.821 1.395 1.00 0.27 N ATOM 1114 CA LEU B 45 -9.849 1.820 0.309 1.00 0.25 C ATOM 1115 C LEU B 45 -10.413 2.469 -0.943 1.00 0.23 C ATOM 1116 O LEU B 45 -9.680 3.107 -1.701 1.00 0.23 O ATOM 1117 CB LEU B 45 -9.406 0.393 -0.016 1.00 0.29 C ATOM 1118 CG LEU B 45 -8.299 -0.175 0.869 1.00 0.32 C ATOM 1119 CD1 LEU B 45 -8.031 -1.630 0.522 1.00 0.38 C ATOM 1120 CD2 LEU B 45 -7.031 0.647 0.706 1.00 0.31 C ATOM 0 H LEU B 45 -11.083 0.893 1.731 1.00 0.27 H new ATOM 0 HA LEU B 45 -8.989 2.400 0.645 1.00 0.25 H new ATOM 0 HB2 LEU B 45 -10.274 -0.262 0.055 1.00 0.29 H new ATOM 0 HB3 LEU B 45 -9.068 0.364 -1.052 1.00 0.29 H new ATOM 0 HG LEU B 45 -8.623 -0.124 1.908 1.00 0.32 H new ATOM 0 HD11 LEU B 45 -7.239 -2.017 1.163 1.00 0.38 H new ATOM 0 HD12 LEU B 45 -8.939 -2.214 0.674 1.00 0.38 H new ATOM 0 HD13 LEU B 45 -7.722 -1.704 -0.521 1.00 0.38 H new ATOM 0 HD21 LEU B 45 -6.246 0.235 1.341 1.00 0.31 H new ATOM 0 HD22 LEU B 45 -6.709 0.617 -0.335 1.00 0.31 H new ATOM 0 HD23 LEU B 45 -7.227 1.679 0.995 1.00 0.31 H new ATOM 1132 N MET B 46 -11.711 2.297 -1.163 1.00 0.26 N ATOM 1133 CA MET B 46 -12.367 2.924 -2.300 1.00 0.27 C ATOM 1134 C MET B 46 -12.171 4.430 -2.228 1.00 0.26 C ATOM 1135 O MET B 46 -11.693 5.049 -3.180 1.00 0.40 O ATOM 1136 CB MET B 46 -13.861 2.598 -2.331 1.00 0.33 C ATOM 1137 CG MET B 46 -14.171 1.111 -2.401 1.00 0.38 C ATOM 1138 SD MET B 46 -15.916 0.775 -2.721 1.00 0.49 S ATOM 1139 CE MET B 46 -16.700 1.704 -1.402 1.00 0.49 C ATOM 0 H MET B 46 -12.324 1.733 -0.574 1.00 0.26 H new ATOM 0 HA MET B 46 -11.919 2.533 -3.213 1.00 0.27 H new ATOM 0 HB2 MET B 46 -14.331 3.015 -1.440 1.00 0.33 H new ATOM 0 HB3 MET B 46 -14.312 3.093 -3.191 1.00 0.33 H new ATOM 0 HG2 MET B 46 -13.568 0.655 -3.186 1.00 0.38 H new ATOM 0 HG3 MET B 46 -13.881 0.639 -1.462 1.00 0.38 H new ATOM 0 HE1 MET B 46 -17.578 1.163 -1.048 1.00 0.49 H new ATOM 0 HE2 MET B 46 -15.997 1.832 -0.579 1.00 0.49 H new ATOM 0 HE3 MET B 46 -17.003 2.682 -1.776 1.00 0.49 H new ATOM 1149 N ASN B 47 -12.552 5.016 -1.095 1.00 0.24 N ATOM 1150 CA ASN B 47 -12.347 6.439 -0.851 1.00 0.30 C ATOM 1151 C ASN B 47 -10.880 6.841 -0.968 1.00 0.26 C ATOM 1152 O ASN B 47 -10.582 7.926 -1.458 1.00 0.28 O ATOM 1153 CB ASN B 47 -12.881 6.822 0.533 1.00 0.42 C ATOM 1154 CG ASN B 47 -12.811 8.317 0.799 1.00 0.80 C ATOM 1155 OD1 ASN B 47 -13.727 9.064 0.446 1.00 1.60 O ATOM 1156 ND2 ASN B 47 -11.740 8.763 1.436 1.00 1.43 N ATOM 0 H ASN B 47 -13.007 4.522 -0.328 1.00 0.24 H new ATOM 0 HA ASN B 47 -12.899 6.979 -1.621 1.00 0.30 H new ATOM 0 HB2 ASN B 47 -13.915 6.490 0.623 1.00 0.42 H new ATOM 0 HB3 ASN B 47 -12.309 6.295 1.297 1.00 0.42 H new ATOM 0 HD21 ASN B 47 -11.651 9.756 1.651 1.00 1.43 H new ATOM 0 HD22 ASN B 47 -11.003 8.114 1.712 1.00 1.43 H new ATOM 1163 N ASP B 48 -9.961 5.964 -0.566 1.00 0.24 N ATOM 1164 CA ASP B 48 -8.542 6.311 -0.570 1.00 0.25 C ATOM 1165 C ASP B 48 -8.039 6.415 -2.005 1.00 0.25 C ATOM 1166 O ASP B 48 -7.442 7.421 -2.401 1.00 0.30 O ATOM 1167 CB ASP B 48 -7.707 5.260 0.185 1.00 0.25 C ATOM 1168 CG ASP B 48 -7.722 5.419 1.699 1.00 0.29 C ATOM 1169 OD1 ASP B 48 -7.923 6.552 2.184 1.00 0.93 O ATOM 1170 OD2 ASP B 48 -7.486 4.415 2.415 1.00 0.74 O ATOM 0 H ASP B 48 -10.170 5.021 -0.238 1.00 0.24 H new ATOM 0 HA ASP B 48 -8.430 7.270 -0.065 1.00 0.25 H new ATOM 0 HB2 ASP B 48 -8.079 4.267 -0.068 1.00 0.25 H new ATOM 0 HB3 ASP B 48 -6.676 5.313 -0.164 1.00 0.25 H new ATOM 1175 N LYS B 49 -8.296 5.363 -2.780 1.00 0.22 N ATOM 1176 CA LYS B 49 -7.885 5.298 -4.179 1.00 0.27 C ATOM 1177 C LYS B 49 -8.485 6.445 -4.993 1.00 0.33 C ATOM 1178 O LYS B 49 -7.873 6.921 -5.951 1.00 0.44 O ATOM 1179 CB LYS B 49 -8.299 3.951 -4.788 1.00 0.31 C ATOM 1180 CG LYS B 49 -7.277 3.367 -5.763 1.00 0.58 C ATOM 1181 CD LYS B 49 -7.088 4.242 -6.992 1.00 0.92 C ATOM 1182 CE LYS B 49 -8.244 4.108 -7.973 1.00 1.45 C ATOM 1183 NZ LYS B 49 -8.317 2.747 -8.569 1.00 2.10 N ATOM 0 H LYS B 49 -8.794 4.534 -2.456 1.00 0.22 H new ATOM 0 HA LYS B 49 -6.800 5.393 -4.213 1.00 0.27 H new ATOM 0 HB2 LYS B 49 -8.466 3.236 -3.982 1.00 0.31 H new ATOM 0 HB3 LYS B 49 -9.250 4.076 -5.306 1.00 0.31 H new ATOM 0 HG2 LYS B 49 -6.320 3.247 -5.255 1.00 0.58 H new ATOM 0 HG3 LYS B 49 -7.600 2.373 -6.073 1.00 0.58 H new ATOM 0 HD2 LYS B 49 -6.993 5.283 -6.684 1.00 0.92 H new ATOM 0 HD3 LYS B 49 -6.157 3.971 -7.490 1.00 0.92 H new ATOM 0 HE2 LYS B 49 -9.181 4.330 -7.461 1.00 1.45 H new ATOM 0 HE3 LYS B 49 -8.132 4.846 -8.768 1.00 1.45 H new ATOM 0 HZ1 LYS B 49 -8.898 2.776 -9.431 1.00 2.10 H new ATOM 0 HZ2 LYS B 49 -7.359 2.421 -8.809 1.00 2.10 H new ATOM 0 HZ3 LYS B 49 -8.745 2.091 -7.885 1.00 2.10 H new ATOM 1197 N LYS B 50 -9.665 6.913 -4.619 1.00 0.30 N ATOM 1198 CA LYS B 50 -10.308 7.982 -5.364 1.00 0.37 C ATOM 1199 C LYS B 50 -9.803 9.337 -4.887 1.00 0.39 C ATOM 1200 O LYS B 50 -9.587 10.245 -5.688 1.00 0.44 O ATOM 1201 CB LYS B 50 -11.829 7.913 -5.222 1.00 0.42 C ATOM 1202 CG LYS B 50 -12.451 6.681 -5.858 1.00 1.14 C ATOM 1203 CD LYS B 50 -13.968 6.739 -5.798 1.00 1.67 C ATOM 1204 CE LYS B 50 -14.602 5.524 -6.453 1.00 2.35 C ATOM 1205 NZ LYS B 50 -14.298 4.265 -5.721 1.00 3.05 N ATOM 0 H LYS B 50 -10.191 6.574 -3.814 1.00 0.30 H new ATOM 0 HA LYS B 50 -10.055 7.857 -6.417 1.00 0.37 H new ATOM 0 HB2 LYS B 50 -12.087 7.933 -4.163 1.00 0.42 H new ATOM 0 HB3 LYS B 50 -12.267 8.803 -5.673 1.00 0.42 H new ATOM 0 HG2 LYS B 50 -12.128 6.602 -6.896 1.00 1.14 H new ATOM 0 HG3 LYS B 50 -12.098 5.786 -5.345 1.00 1.14 H new ATOM 0 HD2 LYS B 50 -14.289 6.801 -4.758 1.00 1.67 H new ATOM 0 HD3 LYS B 50 -14.318 7.644 -6.294 1.00 1.67 H new ATOM 0 HE2 LYS B 50 -15.682 5.662 -6.501 1.00 2.35 H new ATOM 0 HE3 LYS B 50 -14.246 5.440 -7.480 1.00 2.35 H new ATOM 0 HZ1 LYS B 50 -13.735 3.637 -6.329 1.00 3.05 H new ATOM 0 HZ2 LYS B 50 -13.760 4.486 -4.859 1.00 3.05 H new ATOM 0 HZ3 LYS B 50 -15.187 3.790 -5.463 1.00 3.05 H new ATOM 1219 N LEU B 51 -9.633 9.474 -3.578 1.00 0.38 N ATOM 1220 CA LEU B 51 -9.106 10.700 -3.001 1.00 0.44 C ATOM 1221 C LEU B 51 -7.729 11.020 -3.576 1.00 0.43 C ATOM 1222 O LEU B 51 -7.461 12.165 -3.943 1.00 0.47 O ATOM 1223 CB LEU B 51 -9.053 10.580 -1.471 1.00 0.48 C ATOM 1224 CG LEU B 51 -8.936 11.900 -0.698 1.00 0.70 C ATOM 1225 CD1 LEU B 51 -9.521 11.745 0.696 1.00 1.10 C ATOM 1226 CD2 LEU B 51 -7.486 12.349 -0.601 1.00 1.22 C ATOM 0 H LEU B 51 -9.854 8.748 -2.896 1.00 0.38 H new ATOM 0 HA LEU B 51 -9.771 11.524 -3.259 1.00 0.44 H new ATOM 0 HB2 LEU B 51 -9.952 10.063 -1.135 1.00 0.48 H new ATOM 0 HB3 LEU B 51 -8.205 9.949 -1.205 1.00 0.48 H new ATOM 0 HG LEU B 51 -9.497 12.660 -1.242 1.00 0.70 H new ATOM 0 HD11 LEU B 51 -9.432 12.688 1.235 1.00 1.10 H new ATOM 0 HD12 LEU B 51 -10.572 11.468 0.621 1.00 1.10 H new ATOM 0 HD13 LEU B 51 -8.979 10.967 1.234 1.00 1.10 H new ATOM 0 HD21 LEU B 51 -7.432 13.287 -0.048 1.00 1.22 H new ATOM 0 HD22 LEU B 51 -6.903 11.588 -0.082 1.00 1.22 H new ATOM 0 HD23 LEU B 51 -7.082 12.494 -1.603 1.00 1.22 H new ATOM 1238 N MET B 52 -6.864 10.012 -3.695 1.00 0.39 N ATOM 1239 CA MET B 52 -5.515 10.229 -4.211 1.00 0.37 C ATOM 1240 C MET B 52 -5.555 10.682 -5.670 1.00 0.41 C ATOM 1241 O MET B 52 -4.798 11.561 -6.076 1.00 0.47 O ATOM 1242 CB MET B 52 -4.663 8.954 -4.077 1.00 0.33 C ATOM 1243 CG MET B 52 -5.173 7.778 -4.890 1.00 1.29 C ATOM 1244 SD MET B 52 -4.161 6.299 -4.705 1.00 1.25 S ATOM 1245 CE MET B 52 -4.357 5.970 -2.955 1.00 0.32 C ATOM 0 H MET B 52 -7.072 9.046 -3.443 1.00 0.39 H new ATOM 0 HA MET B 52 -5.056 11.018 -3.615 1.00 0.37 H new ATOM 0 HB2 MET B 52 -3.642 9.179 -4.385 1.00 0.33 H new ATOM 0 HB3 MET B 52 -4.623 8.665 -3.027 1.00 0.33 H new ATOM 0 HG2 MET B 52 -6.196 7.551 -4.588 1.00 1.29 H new ATOM 0 HG3 MET B 52 -5.206 8.059 -5.943 1.00 1.29 H new ATOM 0 HE1 MET B 52 -4.580 4.914 -2.806 1.00 0.32 H new ATOM 0 HE2 MET B 52 -3.435 6.223 -2.432 1.00 0.32 H new ATOM 0 HE3 MET B 52 -5.175 6.573 -2.561 1.00 0.32 H new ATOM 1255 N SER B 53 -6.461 10.100 -6.445 1.00 0.41 N ATOM 1256 CA SER B 53 -6.582 10.423 -7.858 1.00 0.47 C ATOM 1257 C SER B 53 -7.346 11.730 -8.071 1.00 0.51 C ATOM 1258 O SER B 53 -7.612 12.130 -9.206 1.00 0.62 O ATOM 1259 CB SER B 53 -7.256 9.266 -8.599 1.00 0.52 C ATOM 1260 OG SER B 53 -8.389 8.794 -7.890 1.00 1.15 O ATOM 0 H SER B 53 -7.125 9.399 -6.116 1.00 0.41 H new ATOM 0 HA SER B 53 -5.581 10.567 -8.264 1.00 0.47 H new ATOM 0 HB2 SER B 53 -7.557 9.594 -9.594 1.00 0.52 H new ATOM 0 HB3 SER B 53 -6.543 8.453 -8.734 1.00 0.52 H new ATOM 0 HG SER B 53 -8.121 8.065 -7.293 1.00 1.15 H new ATOM 1266 N SER B 54 -7.691 12.397 -6.976 1.00 0.49 N ATOM 1267 CA SER B 54 -8.372 13.679 -7.044 1.00 0.54 C ATOM 1268 C SER B 54 -7.431 14.776 -6.550 1.00 0.53 C ATOM 1269 O SER B 54 -7.709 15.967 -6.689 1.00 0.53 O ATOM 1270 CB SER B 54 -9.651 13.644 -6.201 1.00 0.60 C ATOM 1271 OG SER B 54 -10.465 14.783 -6.436 1.00 1.30 O ATOM 0 H SER B 54 -7.508 12.068 -6.028 1.00 0.49 H new ATOM 0 HA SER B 54 -8.652 13.888 -8.076 1.00 0.54 H new ATOM 0 HB2 SER B 54 -10.214 12.740 -6.432 1.00 0.60 H new ATOM 0 HB3 SER B 54 -9.389 13.595 -5.144 1.00 0.60 H new ATOM 0 HG SER B 54 -9.896 15.557 -6.630 1.00 1.30 H new ATOM 1277 N LEU B 55 -6.311 14.348 -5.983 1.00 0.55 N ATOM 1278 CA LEU B 55 -5.307 15.273 -5.477 1.00 0.57 C ATOM 1279 C LEU B 55 -4.373 15.713 -6.597 1.00 0.65 C ATOM 1280 O LEU B 55 -3.710 14.881 -7.218 1.00 0.65 O ATOM 1281 CB LEU B 55 -4.493 14.645 -4.341 1.00 0.51 C ATOM 1282 CG LEU B 55 -5.286 14.279 -3.084 1.00 0.53 C ATOM 1283 CD1 LEU B 55 -4.343 13.842 -1.976 1.00 0.56 C ATOM 1284 CD2 LEU B 55 -6.142 15.448 -2.622 1.00 0.65 C ATOM 0 H LEU B 55 -6.075 13.363 -5.862 1.00 0.55 H new ATOM 0 HA LEU B 55 -5.831 16.144 -5.084 1.00 0.57 H new ATOM 0 HB2 LEU B 55 -4.010 13.744 -4.719 1.00 0.51 H new ATOM 0 HB3 LEU B 55 -3.700 15.338 -4.060 1.00 0.51 H new ATOM 0 HG LEU B 55 -5.949 13.449 -3.328 1.00 0.53 H new ATOM 0 HD11 LEU B 55 -4.920 13.585 -1.088 1.00 0.56 H new ATOM 0 HD12 LEU B 55 -3.774 12.972 -2.304 1.00 0.56 H new ATOM 0 HD13 LEU B 55 -3.657 14.656 -1.740 1.00 0.56 H new ATOM 0 HD21 LEU B 55 -6.696 15.162 -1.727 1.00 0.65 H new ATOM 0 HD22 LEU B 55 -5.502 16.301 -2.396 1.00 0.65 H new ATOM 0 HD23 LEU B 55 -6.843 15.720 -3.411 1.00 0.65 H new ATOM 1296 N PRO B 56 -4.296 17.029 -6.868 1.00 0.81 N ATOM 1297 CA PRO B 56 -3.426 17.579 -7.913 1.00 0.95 C ATOM 1298 C PRO B 56 -1.951 17.535 -7.523 1.00 0.88 C ATOM 1299 O PRO B 56 -1.088 18.019 -8.252 1.00 1.19 O ATOM 1300 CB PRO B 56 -3.885 19.039 -8.053 1.00 1.14 C ATOM 1301 CG PRO B 56 -5.134 19.157 -7.241 1.00 1.26 C ATOM 1302 CD PRO B 56 -5.056 18.089 -6.192 1.00 0.98 C ATOM 0 HA PRO B 56 -3.504 17.004 -8.836 1.00 0.95 H new ATOM 0 HB2 PRO B 56 -3.119 19.725 -7.692 1.00 1.14 H new ATOM 0 HB3 PRO B 56 -4.073 19.291 -9.097 1.00 1.14 H new ATOM 0 HG2 PRO B 56 -5.210 20.144 -6.786 1.00 1.26 H new ATOM 0 HG3 PRO B 56 -6.018 19.025 -7.865 1.00 1.26 H new ATOM 0 HD2 PRO B 56 -4.550 18.440 -5.293 1.00 0.98 H new ATOM 0 HD3 PRO B 56 -6.045 17.747 -5.888 1.00 0.98 H new ATOM 1310 N ASN B 57 -1.667 16.947 -6.370 1.00 0.63 N ATOM 1311 CA ASN B 57 -0.303 16.845 -5.881 1.00 0.62 C ATOM 1312 C ASN B 57 0.117 15.388 -5.798 1.00 0.57 C ATOM 1313 O ASN B 57 1.152 15.055 -5.227 1.00 0.59 O ATOM 1314 CB ASN B 57 -0.163 17.510 -4.507 1.00 0.68 C ATOM 1315 CG ASN B 57 -0.349 19.011 -4.567 1.00 1.32 C ATOM 1316 OD1 ASN B 57 0.596 19.752 -4.826 1.00 2.22 O ATOM 1317 ND2 ASN B 57 -1.563 19.473 -4.314 1.00 1.73 N ATOM 0 H ASN B 57 -2.367 16.532 -5.755 1.00 0.63 H new ATOM 0 HA ASN B 57 0.349 17.365 -6.583 1.00 0.62 H new ATOM 0 HB2 ASN B 57 -0.898 17.083 -3.824 1.00 0.68 H new ATOM 0 HB3 ASN B 57 0.822 17.285 -4.097 1.00 0.68 H new ATOM 0 HD21 ASN B 57 -1.740 20.477 -4.330 1.00 1.73 H new ATOM 0 HD22 ASN B 57 -2.322 18.825 -4.103 1.00 1.73 H new ATOM 1324 N PHE B 58 -0.683 14.518 -6.392 1.00 0.62 N ATOM 1325 CA PHE B 58 -0.392 13.108 -6.361 1.00 0.70 C ATOM 1326 C PHE B 58 0.519 12.774 -7.535 1.00 0.90 C ATOM 1327 O PHE B 58 1.224 13.652 -8.029 1.00 1.77 O ATOM 1328 CB PHE B 58 -1.688 12.287 -6.400 1.00 0.69 C ATOM 1329 CG PHE B 58 -1.534 10.896 -5.843 1.00 0.65 C ATOM 1330 CD1 PHE B 58 -1.173 10.707 -4.518 1.00 0.90 C ATOM 1331 CD2 PHE B 58 -1.749 9.783 -6.639 1.00 1.13 C ATOM 1332 CE1 PHE B 58 -1.027 9.436 -3.999 1.00 0.90 C ATOM 1333 CE2 PHE B 58 -1.604 8.509 -6.125 1.00 1.15 C ATOM 1334 CZ PHE B 58 -1.243 8.336 -4.803 1.00 0.69 C ATOM 0 H PHE B 58 -1.533 14.769 -6.897 1.00 0.62 H new ATOM 0 HA PHE B 58 0.117 12.853 -5.432 1.00 0.70 H new ATOM 0 HB2 PHE B 58 -2.459 12.812 -5.836 1.00 0.69 H new ATOM 0 HB3 PHE B 58 -2.036 12.221 -7.431 1.00 0.69 H new ATOM 0 HD1 PHE B 58 -1.004 11.565 -3.884 1.00 0.90 H new ATOM 0 HD2 PHE B 58 -2.033 9.913 -7.673 1.00 1.13 H new ATOM 0 HE1 PHE B 58 -0.744 9.303 -2.965 1.00 0.90 H new ATOM 0 HE2 PHE B 58 -1.773 7.649 -6.756 1.00 1.15 H new ATOM 0 HZ PHE B 58 -1.130 7.341 -4.399 1.00 0.69 H new ATOM 1344 N SER B 59 0.431 11.536 -8.004 1.00 0.91 N ATOM 1345 CA SER B 59 1.374 10.968 -8.976 1.00 1.02 C ATOM 1346 C SER B 59 2.741 11.655 -8.885 1.00 1.10 C ATOM 1347 O SER B 59 3.222 12.248 -9.853 1.00 1.84 O ATOM 1348 CB SER B 59 0.801 11.096 -10.392 1.00 1.21 C ATOM 1349 OG SER B 59 1.551 10.336 -11.326 1.00 1.84 O ATOM 0 H SER B 59 -0.303 10.886 -7.721 1.00 0.91 H new ATOM 0 HA SER B 59 1.516 9.913 -8.743 1.00 1.02 H new ATOM 0 HB2 SER B 59 -0.236 10.761 -10.398 1.00 1.21 H new ATOM 0 HB3 SER B 59 0.799 12.144 -10.692 1.00 1.21 H new ATOM 0 HG SER B 59 2.466 10.684 -11.371 1.00 1.84 H new ATOM 1355 N GLY B 60 3.366 11.573 -7.720 1.00 0.91 N ATOM 1356 CA GLY B 60 4.553 12.361 -7.479 1.00 0.88 C ATOM 1357 C GLY B 60 4.986 12.347 -6.030 1.00 0.67 C ATOM 1358 O GLY B 60 6.123 11.976 -5.733 1.00 0.74 O ATOM 0 H GLY B 60 3.074 10.979 -6.944 1.00 0.91 H new ATOM 0 HA2 GLY B 60 5.366 11.983 -8.099 1.00 0.88 H new ATOM 0 HA3 GLY B 60 4.368 13.390 -7.788 1.00 0.88 H new ATOM 1362 N ILE B 61 4.096 12.748 -5.117 1.00 0.51 N ATOM 1363 CA ILE B 61 4.447 12.779 -3.700 1.00 0.54 C ATOM 1364 C ILE B 61 4.811 11.389 -3.195 1.00 0.73 C ATOM 1365 O ILE B 61 5.861 11.208 -2.584 1.00 1.81 O ATOM 1366 CB ILE B 61 3.346 13.396 -2.805 1.00 0.58 C ATOM 1367 CG1 ILE B 61 1.981 12.732 -3.043 1.00 0.64 C ATOM 1368 CG2 ILE B 61 3.272 14.900 -3.032 1.00 0.79 C ATOM 1369 CD1 ILE B 61 0.853 13.348 -2.240 1.00 0.79 C ATOM 0 H ILE B 61 3.145 13.050 -5.331 1.00 0.51 H new ATOM 0 HA ILE B 61 5.317 13.432 -3.626 1.00 0.54 H new ATOM 0 HB ILE B 61 3.612 13.211 -1.764 1.00 0.58 H new ATOM 0 HG12 ILE B 61 1.736 12.795 -4.103 1.00 0.64 H new ATOM 0 HG13 ILE B 61 2.054 11.673 -2.796 1.00 0.64 H new ATOM 0 HG21 ILE B 61 2.494 15.326 -2.398 1.00 0.79 H new ATOM 0 HG22 ILE B 61 4.232 15.353 -2.783 1.00 0.79 H new ATOM 0 HG23 ILE B 61 3.037 15.099 -4.078 1.00 0.79 H new ATOM 0 HD11 ILE B 61 -0.078 12.826 -2.461 1.00 0.79 H new ATOM 0 HD12 ILE B 61 1.074 13.261 -1.176 1.00 0.79 H new ATOM 0 HD13 ILE B 61 0.751 14.401 -2.504 1.00 0.79 H new ATOM 1381 N PHE B 62 3.965 10.399 -3.455 1.00 0.58 N ATOM 1382 CA PHE B 62 4.267 9.031 -3.081 1.00 0.50 C ATOM 1383 C PHE B 62 4.458 8.192 -4.333 1.00 0.51 C ATOM 1384 O PHE B 62 3.737 8.363 -5.316 1.00 0.76 O ATOM 1385 CB PHE B 62 3.126 8.458 -2.246 1.00 0.50 C ATOM 1386 CG PHE B 62 2.773 9.295 -1.054 1.00 0.48 C ATOM 1387 CD1 PHE B 62 3.761 9.767 -0.206 1.00 0.48 C ATOM 1388 CD2 PHE B 62 1.455 9.613 -0.781 1.00 0.64 C ATOM 1389 CE1 PHE B 62 3.440 10.540 0.885 1.00 0.53 C ATOM 1390 CE2 PHE B 62 1.130 10.386 0.313 1.00 0.68 C ATOM 1391 CZ PHE B 62 2.123 10.849 1.144 1.00 0.59 C ATOM 0 H PHE B 62 3.067 10.522 -3.923 1.00 0.58 H new ATOM 0 HA PHE B 62 5.183 9.014 -2.491 1.00 0.50 H new ATOM 0 HB2 PHE B 62 2.244 8.350 -2.877 1.00 0.50 H new ATOM 0 HB3 PHE B 62 3.401 7.459 -1.909 1.00 0.50 H new ATOM 0 HD1 PHE B 62 4.795 9.525 -0.404 1.00 0.48 H new ATOM 0 HD2 PHE B 62 0.672 9.252 -1.432 1.00 0.64 H new ATOM 0 HE1 PHE B 62 4.219 10.904 1.538 1.00 0.53 H new ATOM 0 HE2 PHE B 62 0.097 10.628 0.517 1.00 0.68 H new ATOM 0 HZ PHE B 62 1.870 11.456 2.001 1.00 0.59 H new ATOM 1401 N THR B 63 5.423 7.292 -4.291 1.00 0.35 N ATOM 1402 CA THR B 63 5.771 6.487 -5.447 1.00 0.38 C ATOM 1403 C THR B 63 4.960 5.192 -5.504 1.00 0.30 C ATOM 1404 O THR B 63 4.177 4.980 -6.427 1.00 0.38 O ATOM 1405 CB THR B 63 7.272 6.147 -5.436 1.00 0.49 C ATOM 1406 OG1 THR B 63 8.036 7.343 -5.235 1.00 0.79 O ATOM 1407 CG2 THR B 63 7.692 5.482 -6.740 1.00 0.66 C ATOM 0 H THR B 63 5.984 7.099 -3.461 1.00 0.35 H new ATOM 0 HA THR B 63 5.534 7.079 -6.331 1.00 0.38 H new ATOM 0 HB THR B 63 7.460 5.449 -4.620 1.00 0.49 H new ATOM 0 HG1 THR B 63 7.963 7.624 -4.299 1.00 0.79 H new ATOM 0 HG21 THR B 63 8.757 5.253 -6.705 1.00 0.66 H new ATOM 0 HG22 THR B 63 7.127 4.560 -6.877 1.00 0.66 H new ATOM 0 HG23 THR B 63 7.493 6.157 -7.573 1.00 0.66 H new ATOM 1415 N HIS B 64 5.136 4.333 -4.509 1.00 0.26 N ATOM 1416 CA HIS B 64 4.562 2.987 -4.560 1.00 0.25 C ATOM 1417 C HIS B 64 3.168 2.922 -3.959 1.00 0.25 C ATOM 1418 O HIS B 64 2.480 1.913 -4.098 1.00 0.54 O ATOM 1419 CB HIS B 64 5.466 1.989 -3.850 1.00 0.34 C ATOM 1420 CG HIS B 64 6.819 1.875 -4.467 1.00 0.43 C ATOM 1421 ND1 HIS B 64 7.022 1.540 -5.785 1.00 0.86 N ATOM 1422 CD2 HIS B 64 8.043 2.058 -3.935 1.00 0.71 C ATOM 1423 CE1 HIS B 64 8.313 1.520 -6.038 1.00 0.83 C ATOM 1424 NE2 HIS B 64 8.959 1.829 -4.932 1.00 0.68 N ATOM 0 H HIS B 64 5.666 4.538 -3.662 1.00 0.26 H new ATOM 0 HA HIS B 64 4.481 2.727 -5.615 1.00 0.25 H new ATOM 0 HB2 HIS B 64 5.574 2.286 -2.807 1.00 0.34 H new ATOM 0 HB3 HIS B 64 4.988 1.009 -3.855 1.00 0.34 H new ATOM 0 HD1 HIS B 64 6.286 1.338 -6.462 1.00 0.86 H new ATOM 0 HD2 HIS B 64 8.263 2.334 -2.914 1.00 0.71 H new ATOM 0 HE1 HIS B 64 8.766 1.289 -6.991 1.00 0.83 H new ATOM 1433 N LEU B 65 2.756 3.991 -3.301 1.00 0.32 N ATOM 1434 CA LEU B 65 1.509 4.001 -2.545 1.00 0.22 C ATOM 1435 C LEU B 65 0.307 3.686 -3.438 1.00 0.21 C ATOM 1436 O LEU B 65 -0.568 2.911 -3.056 1.00 0.24 O ATOM 1437 CB LEU B 65 1.335 5.361 -1.858 1.00 0.29 C ATOM 1438 CG LEU B 65 2.085 5.540 -0.523 1.00 0.36 C ATOM 1439 CD1 LEU B 65 1.459 4.685 0.562 1.00 0.84 C ATOM 1440 CD2 LEU B 65 3.560 5.193 -0.664 1.00 0.99 C ATOM 0 H LEU B 65 3.269 4.872 -3.273 1.00 0.32 H new ATOM 0 HA LEU B 65 1.560 3.220 -1.787 1.00 0.22 H new ATOM 0 HB2 LEU B 65 1.666 6.139 -2.546 1.00 0.29 H new ATOM 0 HB3 LEU B 65 0.272 5.524 -1.680 1.00 0.29 H new ATOM 0 HG LEU B 65 2.004 6.590 -0.242 1.00 0.36 H new ATOM 0 HD11 LEU B 65 2.003 4.826 1.496 1.00 0.84 H new ATOM 0 HD12 LEU B 65 0.418 4.978 0.701 1.00 0.84 H new ATOM 0 HD13 LEU B 65 1.505 3.636 0.270 1.00 0.84 H new ATOM 0 HD21 LEU B 65 4.059 5.330 0.295 1.00 0.99 H new ATOM 0 HD22 LEU B 65 3.661 4.155 -0.981 1.00 0.99 H new ATOM 0 HD23 LEU B 65 4.018 5.845 -1.408 1.00 0.99 H new ATOM 1452 N GLU B 66 0.273 4.284 -4.626 1.00 0.31 N ATOM 1453 CA GLU B 66 -0.806 4.040 -5.583 1.00 0.40 C ATOM 1454 C GLU B 66 -0.912 2.556 -5.942 1.00 0.38 C ATOM 1455 O GLU B 66 -1.992 1.964 -5.861 1.00 0.38 O ATOM 1456 CB GLU B 66 -0.576 4.867 -6.848 1.00 0.53 C ATOM 1457 CG GLU B 66 -1.704 4.763 -7.858 1.00 0.88 C ATOM 1458 CD GLU B 66 -1.439 5.574 -9.106 1.00 1.12 C ATOM 1459 OE1 GLU B 66 -1.606 6.812 -9.058 1.00 1.75 O ATOM 1460 OE2 GLU B 66 -1.067 4.979 -10.142 1.00 1.75 O ATOM 0 H GLU B 66 0.981 4.942 -4.951 1.00 0.31 H new ATOM 0 HA GLU B 66 -1.744 4.340 -5.116 1.00 0.40 H new ATOM 0 HB2 GLU B 66 -0.445 5.913 -6.569 1.00 0.53 H new ATOM 0 HB3 GLU B 66 0.352 4.544 -7.319 1.00 0.53 H new ATOM 0 HG2 GLU B 66 -1.848 3.718 -8.131 1.00 0.88 H new ATOM 0 HG3 GLU B 66 -2.632 5.103 -7.398 1.00 0.88 H new ATOM 1467 N ARG B 67 0.215 1.965 -6.334 1.00 0.42 N ATOM 1468 CA ARG B 67 0.265 0.548 -6.696 1.00 0.44 C ATOM 1469 C ARG B 67 -0.255 -0.328 -5.563 1.00 0.39 C ATOM 1470 O ARG B 67 -0.910 -1.345 -5.799 1.00 0.40 O ATOM 1471 CB ARG B 67 1.696 0.127 -7.049 1.00 0.54 C ATOM 1472 CG ARG B 67 1.893 -1.386 -7.079 1.00 0.74 C ATOM 1473 CD ARG B 67 3.333 -1.766 -7.378 1.00 0.86 C ATOM 1474 NE ARG B 67 3.674 -3.081 -6.832 1.00 1.08 N ATOM 1475 CZ ARG B 67 4.668 -3.846 -7.281 1.00 1.45 C ATOM 1476 NH1 ARG B 67 5.369 -3.477 -8.347 1.00 1.71 N ATOM 1477 NH2 ARG B 67 4.955 -4.987 -6.664 1.00 2.07 N ATOM 0 H ARG B 67 1.110 2.447 -6.410 1.00 0.42 H new ATOM 0 HA ARG B 67 -0.375 0.412 -7.568 1.00 0.44 H new ATOM 0 HB2 ARG B 67 1.958 0.539 -8.023 1.00 0.54 H new ATOM 0 HB3 ARG B 67 2.384 0.561 -6.323 1.00 0.54 H new ATOM 0 HG2 ARG B 67 1.598 -1.809 -6.119 1.00 0.74 H new ATOM 0 HG3 ARG B 67 1.239 -1.822 -7.834 1.00 0.74 H new ATOM 0 HD2 ARG B 67 3.492 -1.768 -8.456 1.00 0.86 H new ATOM 0 HD3 ARG B 67 4.002 -1.014 -6.959 1.00 0.86 H new ATOM 0 HE ARG B 67 3.114 -3.435 -6.057 1.00 1.08 H new ATOM 0 HH11 ARG B 67 5.147 -2.604 -8.826 1.00 1.71 H new ATOM 0 HH12 ARG B 67 6.129 -4.066 -8.687 1.00 1.71 H new ATOM 0 HH21 ARG B 67 4.415 -5.276 -5.848 1.00 2.07 H new ATOM 0 HH22 ARG B 67 5.716 -5.574 -7.006 1.00 2.07 H new ATOM 1491 N LEU B 68 0.023 0.077 -4.334 1.00 0.36 N ATOM 1492 CA LEU B 68 -0.341 -0.719 -3.177 1.00 0.34 C ATOM 1493 C LEU B 68 -1.851 -0.793 -2.981 1.00 0.31 C ATOM 1494 O LEU B 68 -2.343 -1.736 -2.380 1.00 0.41 O ATOM 1495 CB LEU B 68 0.359 -0.201 -1.924 1.00 0.33 C ATOM 1496 CG LEU B 68 1.836 -0.580 -1.825 1.00 0.41 C ATOM 1497 CD1 LEU B 68 2.426 -0.080 -0.523 1.00 0.37 C ATOM 1498 CD2 LEU B 68 2.009 -2.086 -1.944 1.00 0.62 C ATOM 0 H LEU B 68 0.499 0.952 -4.114 1.00 0.36 H new ATOM 0 HA LEU B 68 -0.000 -1.738 -3.362 1.00 0.34 H new ATOM 0 HB2 LEU B 68 0.272 0.885 -1.897 1.00 0.33 H new ATOM 0 HB3 LEU B 68 -0.162 -0.584 -1.047 1.00 0.33 H new ATOM 0 HG LEU B 68 2.369 -0.106 -2.649 1.00 0.41 H new ATOM 0 HD11 LEU B 68 3.478 -0.359 -0.470 1.00 0.37 H new ATOM 0 HD12 LEU B 68 2.335 1.005 -0.475 1.00 0.37 H new ATOM 0 HD13 LEU B 68 1.890 -0.526 0.315 1.00 0.37 H new ATOM 0 HD21 LEU B 68 3.067 -2.338 -1.871 1.00 0.62 H new ATOM 0 HD22 LEU B 68 1.463 -2.580 -1.140 1.00 0.62 H new ATOM 0 HD23 LEU B 68 1.621 -2.422 -2.906 1.00 0.62 H new ATOM 1510 N LEU B 69 -2.593 0.168 -3.514 1.00 0.27 N ATOM 1511 CA LEU B 69 -4.051 0.072 -3.486 1.00 0.24 C ATOM 1512 C LEU B 69 -4.509 -0.872 -4.588 1.00 0.25 C ATOM 1513 O LEU B 69 -5.395 -1.719 -4.403 1.00 0.26 O ATOM 1514 CB LEU B 69 -4.734 1.439 -3.654 1.00 0.25 C ATOM 1515 CG LEU B 69 -4.808 2.322 -2.399 1.00 0.24 C ATOM 1516 CD1 LEU B 69 -6.217 2.839 -2.197 1.00 0.26 C ATOM 1517 CD2 LEU B 69 -4.350 1.573 -1.164 1.00 0.30 C ATOM 0 H LEU B 69 -2.223 1.006 -3.962 1.00 0.27 H new ATOM 0 HA LEU B 69 -4.341 -0.312 -2.508 1.00 0.24 H new ATOM 0 HB2 LEU B 69 -4.206 1.992 -4.431 1.00 0.25 H new ATOM 0 HB3 LEU B 69 -5.749 1.272 -4.015 1.00 0.25 H new ATOM 0 HG LEU B 69 -4.135 3.166 -2.552 1.00 0.24 H new ATOM 0 HD11 LEU B 69 -6.251 3.463 -1.304 1.00 0.26 H new ATOM 0 HD12 LEU B 69 -6.516 3.429 -3.063 1.00 0.26 H new ATOM 0 HD13 LEU B 69 -6.900 1.998 -2.079 1.00 0.26 H new ATOM 0 HD21 LEU B 69 -4.416 2.229 -0.296 1.00 0.30 H new ATOM 0 HD22 LEU B 69 -4.987 0.702 -1.010 1.00 0.30 H new ATOM 0 HD23 LEU B 69 -3.318 1.249 -1.297 1.00 0.30 H new ATOM 1529 N ASP B 70 -3.848 -0.774 -5.724 1.00 0.30 N ATOM 1530 CA ASP B 70 -4.209 -1.583 -6.866 1.00 0.35 C ATOM 1531 C ASP B 70 -3.967 -3.044 -6.531 1.00 0.38 C ATOM 1532 O ASP B 70 -4.724 -3.921 -6.936 1.00 0.43 O ATOM 1533 CB ASP B 70 -3.411 -1.152 -8.095 1.00 0.43 C ATOM 1534 CG ASP B 70 -3.755 -1.956 -9.331 1.00 0.91 C ATOM 1535 OD1 ASP B 70 -4.874 -1.790 -9.862 1.00 1.62 O ATOM 1536 OD2 ASP B 70 -2.904 -2.749 -9.786 1.00 1.56 O ATOM 0 H ASP B 70 -3.061 -0.144 -5.879 1.00 0.30 H new ATOM 0 HA ASP B 70 -5.265 -1.447 -7.100 1.00 0.35 H new ATOM 0 HB2 ASP B 70 -3.597 -0.096 -8.291 1.00 0.43 H new ATOM 0 HB3 ASP B 70 -2.346 -1.255 -7.885 1.00 0.43 H new ATOM 1541 N GLU B 71 -2.902 -3.303 -5.780 1.00 0.42 N ATOM 1542 CA GLU B 71 -2.653 -4.619 -5.223 1.00 0.50 C ATOM 1543 C GLU B 71 -3.590 -4.969 -4.072 1.00 0.46 C ATOM 1544 O GLU B 71 -4.296 -5.972 -4.134 1.00 0.49 O ATOM 1545 CB GLU B 71 -1.219 -4.700 -4.729 1.00 0.61 C ATOM 1546 CG GLU B 71 -0.226 -5.073 -5.813 1.00 0.94 C ATOM 1547 CD GLU B 71 -0.744 -6.180 -6.710 1.00 1.47 C ATOM 1548 OE1 GLU B 71 -0.597 -7.366 -6.350 1.00 2.14 O ATOM 1549 OE2 GLU B 71 -1.308 -5.863 -7.776 1.00 2.18 O ATOM 0 H GLU B 71 -2.193 -2.608 -5.544 1.00 0.42 H new ATOM 0 HA GLU B 71 -2.835 -5.337 -6.023 1.00 0.50 H new ATOM 0 HB2 GLU B 71 -0.935 -3.738 -4.303 1.00 0.61 H new ATOM 0 HB3 GLU B 71 -1.161 -5.434 -3.926 1.00 0.61 H new ATOM 0 HG2 GLU B 71 -0.003 -4.193 -6.417 1.00 0.94 H new ATOM 0 HG3 GLU B 71 0.710 -5.389 -5.352 1.00 0.94 H new ATOM 1556 N GLU B 72 -3.601 -4.143 -3.031 1.00 0.43 N ATOM 1557 CA GLU B 72 -4.350 -4.460 -1.814 1.00 0.45 C ATOM 1558 C GLU B 72 -5.830 -4.585 -2.131 1.00 0.42 C ATOM 1559 O GLU B 72 -6.453 -5.591 -1.834 1.00 0.47 O ATOM 1560 CB GLU B 72 -4.138 -3.387 -0.739 1.00 0.46 C ATOM 1561 CG GLU B 72 -4.889 -3.657 0.561 1.00 0.57 C ATOM 1562 CD GLU B 72 -4.312 -4.811 1.364 1.00 0.91 C ATOM 1563 OE1 GLU B 72 -4.113 -5.903 0.790 1.00 1.69 O ATOM 1564 OE2 GLU B 72 -4.074 -4.631 2.578 1.00 1.33 O ATOM 0 H GLU B 72 -3.104 -3.253 -3.002 1.00 0.43 H new ATOM 0 HA GLU B 72 -3.980 -5.410 -1.428 1.00 0.45 H new ATOM 0 HB2 GLU B 72 -3.073 -3.310 -0.522 1.00 0.46 H new ATOM 0 HB3 GLU B 72 -4.454 -2.422 -1.136 1.00 0.46 H new ATOM 0 HG2 GLU B 72 -4.875 -2.755 1.174 1.00 0.57 H new ATOM 0 HG3 GLU B 72 -5.933 -3.870 0.331 1.00 0.57 H new ATOM 1571 N ILE B 73 -6.366 -3.578 -2.798 1.00 0.35 N ATOM 1572 CA ILE B 73 -7.786 -3.538 -3.129 1.00 0.35 C ATOM 1573 C ILE B 73 -8.179 -4.774 -3.921 1.00 0.40 C ATOM 1574 O ILE B 73 -9.186 -5.421 -3.627 1.00 0.45 O ATOM 1575 CB ILE B 73 -8.142 -2.261 -3.926 1.00 0.29 C ATOM 1576 CG1 ILE B 73 -8.149 -1.054 -2.990 1.00 0.27 C ATOM 1577 CG2 ILE B 73 -9.479 -2.400 -4.644 1.00 0.33 C ATOM 1578 CD1 ILE B 73 -8.461 0.257 -3.673 1.00 0.27 C ATOM 0 H ILE B 73 -5.837 -2.769 -3.125 1.00 0.35 H new ATOM 0 HA ILE B 73 -8.346 -3.520 -2.194 1.00 0.35 H new ATOM 0 HB ILE B 73 -7.381 -2.113 -4.693 1.00 0.29 H new ATOM 0 HG12 ILE B 73 -8.882 -1.224 -2.202 1.00 0.27 H new ATOM 0 HG13 ILE B 73 -7.175 -0.977 -2.508 1.00 0.27 H new ATOM 0 HG21 ILE B 73 -9.694 -1.483 -5.193 1.00 0.33 H new ATOM 0 HG22 ILE B 73 -9.433 -3.237 -5.340 1.00 0.33 H new ATOM 0 HG23 ILE B 73 -10.268 -2.579 -3.913 1.00 0.33 H new ATOM 0 HD11 ILE B 73 -8.446 1.062 -2.939 1.00 0.27 H new ATOM 0 HD12 ILE B 73 -7.714 0.453 -4.442 1.00 0.27 H new ATOM 0 HD13 ILE B 73 -9.448 0.202 -4.132 1.00 0.27 H new ATOM 1590 N SER B 74 -7.372 -5.108 -4.915 1.00 0.41 N ATOM 1591 CA SER B 74 -7.657 -6.292 -5.733 1.00 0.49 C ATOM 1592 C SER B 74 -7.569 -7.594 -4.913 1.00 0.54 C ATOM 1593 O SER B 74 -8.430 -8.480 -5.029 1.00 0.60 O ATOM 1594 CB SER B 74 -6.728 -6.360 -6.952 1.00 0.52 C ATOM 1595 OG SER B 74 -5.367 -6.445 -6.573 1.00 1.34 O ATOM 0 H SER B 74 -6.531 -4.594 -5.177 1.00 0.41 H new ATOM 0 HA SER B 74 -8.683 -6.194 -6.086 1.00 0.49 H new ATOM 0 HB2 SER B 74 -6.990 -7.225 -7.561 1.00 0.52 H new ATOM 0 HB3 SER B 74 -6.878 -5.477 -7.573 1.00 0.52 H new ATOM 0 HG SER B 74 -4.942 -5.568 -6.681 1.00 1.34 H new ATOM 1601 N ARG B 75 -6.555 -7.709 -4.061 1.00 0.56 N ATOM 1602 CA ARG B 75 -6.339 -8.949 -3.318 1.00 0.63 C ATOM 1603 C ARG B 75 -7.375 -9.100 -2.209 1.00 0.65 C ATOM 1604 O ARG B 75 -7.809 -10.209 -1.910 1.00 0.72 O ATOM 1605 CB ARG B 75 -4.919 -9.034 -2.745 1.00 0.74 C ATOM 1606 CG ARG B 75 -4.586 -7.946 -1.746 1.00 0.76 C ATOM 1607 CD ARG B 75 -3.219 -8.156 -1.116 1.00 1.26 C ATOM 1608 NE ARG B 75 -3.165 -9.387 -0.330 1.00 1.84 N ATOM 1609 CZ ARG B 75 -3.356 -9.437 0.990 1.00 2.74 C ATOM 1610 NH1 ARG B 75 -3.641 -8.335 1.675 1.00 3.06 N ATOM 1611 NH2 ARG B 75 -3.277 -10.600 1.623 1.00 3.67 N ATOM 0 H ARG B 75 -5.878 -6.971 -3.868 1.00 0.56 H new ATOM 0 HA ARG B 75 -6.456 -9.773 -4.022 1.00 0.63 H new ATOM 0 HB2 ARG B 75 -4.791 -10.004 -2.265 1.00 0.74 H new ATOM 0 HB3 ARG B 75 -4.204 -8.988 -3.567 1.00 0.74 H new ATOM 0 HG2 ARG B 75 -4.612 -6.976 -2.243 1.00 0.76 H new ATOM 0 HG3 ARG B 75 -5.346 -7.925 -0.965 1.00 0.76 H new ATOM 0 HD2 ARG B 75 -2.460 -8.191 -1.898 1.00 1.26 H new ATOM 0 HD3 ARG B 75 -2.979 -7.306 -0.477 1.00 1.26 H new ATOM 0 HE ARG B 75 -2.970 -10.260 -0.820 1.00 1.84 H new ATOM 0 HH11 ARG B 75 -3.716 -7.440 1.192 1.00 3.06 H new ATOM 0 HH12 ARG B 75 -3.785 -8.384 2.684 1.00 3.06 H new ATOM 0 HH21 ARG B 75 -3.071 -11.452 1.101 1.00 3.67 H new ATOM 0 HH22 ARG B 75 -3.422 -10.643 2.632 1.00 3.67 H new ATOM 1625 N VAL B 76 -7.786 -7.974 -1.629 1.00 0.62 N ATOM 1626 CA VAL B 76 -8.815 -7.953 -0.593 1.00 0.67 C ATOM 1627 C VAL B 76 -10.112 -8.585 -1.091 1.00 0.71 C ATOM 1628 O VAL B 76 -10.817 -9.257 -0.340 1.00 0.84 O ATOM 1629 CB VAL B 76 -9.097 -6.505 -0.120 1.00 0.61 C ATOM 1630 CG1 VAL B 76 -10.345 -6.433 0.741 1.00 0.64 C ATOM 1631 CG2 VAL B 76 -7.908 -5.951 0.643 1.00 0.59 C ATOM 0 H VAL B 76 -7.416 -7.053 -1.864 1.00 0.62 H new ATOM 0 HA VAL B 76 -8.438 -8.536 0.248 1.00 0.67 H new ATOM 0 HB VAL B 76 -9.264 -5.898 -1.010 1.00 0.61 H new ATOM 0 HG11 VAL B 76 -10.512 -5.402 1.055 1.00 0.64 H new ATOM 0 HG12 VAL B 76 -11.204 -6.781 0.167 1.00 0.64 H new ATOM 0 HG13 VAL B 76 -10.217 -7.064 1.621 1.00 0.64 H new ATOM 0 HG21 VAL B 76 -8.126 -4.933 0.967 1.00 0.59 H new ATOM 0 HG22 VAL B 76 -7.712 -6.575 1.515 1.00 0.59 H new ATOM 0 HG23 VAL B 76 -7.031 -5.946 -0.004 1.00 0.59 H new ATOM 1641 N ARG B 77 -10.401 -8.389 -2.373 1.00 0.66 N ATOM 1642 CA ARG B 77 -11.622 -8.910 -2.973 1.00 0.73 C ATOM 1643 C ARG B 77 -11.671 -10.432 -2.870 1.00 0.87 C ATOM 1644 O ARG B 77 -12.721 -11.011 -2.596 1.00 0.98 O ATOM 1645 CB ARG B 77 -11.713 -8.486 -4.434 1.00 0.75 C ATOM 1646 CG ARG B 77 -11.761 -6.981 -4.631 1.00 0.80 C ATOM 1647 CD ARG B 77 -11.687 -6.624 -6.105 1.00 0.84 C ATOM 1648 NE ARG B 77 -11.662 -5.181 -6.333 1.00 1.38 N ATOM 1649 CZ ARG B 77 -11.292 -4.620 -7.484 1.00 1.70 C ATOM 1650 NH1 ARG B 77 -10.915 -5.381 -8.506 1.00 1.45 N ATOM 1651 NH2 ARG B 77 -11.302 -3.302 -7.613 1.00 2.73 N ATOM 0 H ARG B 77 -9.804 -7.871 -3.018 1.00 0.66 H new ATOM 0 HA ARG B 77 -12.471 -8.499 -2.428 1.00 0.73 H new ATOM 0 HB2 ARG B 77 -10.855 -8.887 -4.974 1.00 0.75 H new ATOM 0 HB3 ARG B 77 -12.604 -8.930 -4.877 1.00 0.75 H new ATOM 0 HG2 ARG B 77 -12.681 -6.583 -4.202 1.00 0.80 H new ATOM 0 HG3 ARG B 77 -10.933 -6.514 -4.098 1.00 0.80 H new ATOM 0 HD2 ARG B 77 -10.793 -7.072 -6.539 1.00 0.84 H new ATOM 0 HD3 ARG B 77 -12.544 -7.055 -6.623 1.00 0.84 H new ATOM 0 HE ARG B 77 -11.944 -4.568 -5.568 1.00 1.38 H new ATOM 0 HH11 ARG B 77 -10.908 -6.396 -8.411 1.00 1.45 H new ATOM 0 HH12 ARG B 77 -10.632 -4.950 -9.386 1.00 1.45 H new ATOM 0 HH21 ARG B 77 -11.593 -2.715 -6.831 1.00 2.73 H new ATOM 0 HH22 ARG B 77 -11.019 -2.874 -8.494 1.00 2.73 H new ATOM 1665 N LYS B 78 -10.532 -11.075 -3.095 1.00 0.90 N ATOM 1666 CA LYS B 78 -10.448 -12.530 -2.980 1.00 1.08 C ATOM 1667 C LYS B 78 -10.237 -12.947 -1.533 1.00 1.12 C ATOM 1668 O LYS B 78 -10.760 -13.969 -1.082 1.00 1.32 O ATOM 1669 CB LYS B 78 -9.312 -13.079 -3.839 1.00 1.13 C ATOM 1670 CG LYS B 78 -9.529 -12.890 -5.326 1.00 1.35 C ATOM 1671 CD LYS B 78 -9.048 -11.528 -5.784 1.00 2.01 C ATOM 1672 CE LYS B 78 -7.541 -11.510 -5.982 1.00 2.67 C ATOM 1673 NZ LYS B 78 -7.098 -10.325 -6.760 1.00 3.44 N ATOM 0 H LYS B 78 -9.658 -10.618 -3.356 1.00 0.90 H new ATOM 0 HA LYS B 78 -11.392 -12.943 -3.335 1.00 1.08 H new ATOM 0 HB2 LYS B 78 -8.381 -12.590 -3.551 1.00 1.13 H new ATOM 0 HB3 LYS B 78 -9.191 -14.142 -3.630 1.00 1.13 H new ATOM 0 HG2 LYS B 78 -8.999 -13.669 -5.875 1.00 1.35 H new ATOM 0 HG3 LYS B 78 -10.588 -13.001 -5.558 1.00 1.35 H new ATOM 0 HD2 LYS B 78 -9.542 -11.261 -6.718 1.00 2.01 H new ATOM 0 HD3 LYS B 78 -9.329 -10.775 -5.048 1.00 2.01 H new ATOM 0 HE2 LYS B 78 -7.047 -11.511 -5.010 1.00 2.67 H new ATOM 0 HE3 LYS B 78 -7.232 -12.419 -6.498 1.00 2.67 H new ATOM 0 HZ1 LYS B 78 -6.137 -10.056 -6.466 1.00 3.44 H new ATOM 0 HZ2 LYS B 78 -7.098 -10.556 -7.774 1.00 3.44 H new ATOM 0 HZ3 LYS B 78 -7.748 -9.532 -6.586 1.00 3.44 H new ATOM 1687 N ASP B 79 -9.446 -12.156 -0.824 1.00 1.02 N ATOM 1688 CA ASP B 79 -9.119 -12.423 0.583 1.00 1.20 C ATOM 1689 C ASP B 79 -10.365 -12.486 1.473 1.00 1.42 C ATOM 1690 O ASP B 79 -10.332 -13.077 2.554 1.00 1.68 O ATOM 1691 CB ASP B 79 -8.165 -11.351 1.116 1.00 1.24 C ATOM 1692 CG ASP B 79 -7.578 -11.711 2.466 1.00 1.59 C ATOM 1693 OD1 ASP B 79 -8.183 -11.361 3.502 1.00 2.21 O ATOM 1694 OD2 ASP B 79 -6.501 -12.347 2.497 1.00 1.94 O ATOM 0 H ASP B 79 -9.011 -11.313 -1.198 1.00 1.02 H new ATOM 0 HA ASP B 79 -8.639 -13.401 0.617 1.00 1.20 H new ATOM 0 HB2 ASP B 79 -7.356 -11.202 0.401 1.00 1.24 H new ATOM 0 HB3 ASP B 79 -8.698 -10.404 1.197 1.00 1.24 H new ATOM 1699 N MET B 80 -11.468 -11.915 1.008 1.00 1.50 N ATOM 1700 CA MET B 80 -12.680 -11.865 1.810 1.00 1.83 C ATOM 1701 C MET B 80 -13.651 -12.957 1.379 1.00 2.16 C ATOM 1702 O MET B 80 -13.499 -13.534 0.300 1.00 2.63 O ATOM 1703 CB MET B 80 -13.349 -10.493 1.709 1.00 2.04 C ATOM 1704 CG MET B 80 -13.870 -10.160 0.322 1.00 1.58 C ATOM 1705 SD MET B 80 -14.880 -8.667 0.306 1.00 1.43 S ATOM 1706 CE MET B 80 -13.745 -7.487 1.027 1.00 0.99 C ATOM 0 H MET B 80 -11.548 -11.484 0.087 1.00 1.50 H new ATOM 0 HA MET B 80 -12.401 -12.033 2.850 1.00 1.83 H new ATOM 0 HB2 MET B 80 -14.177 -10.451 2.417 1.00 2.04 H new ATOM 0 HB3 MET B 80 -12.633 -9.728 2.010 1.00 2.04 H new ATOM 0 HG2 MET B 80 -13.028 -10.033 -0.358 1.00 1.58 H new ATOM 0 HG3 MET B 80 -14.459 -10.997 -0.053 1.00 1.58 H new ATOM 0 HE1 MET B 80 -14.080 -6.475 0.800 1.00 0.99 H new ATOM 0 HE2 MET B 80 -13.714 -7.626 2.108 1.00 0.99 H new ATOM 0 HE3 MET B 80 -12.749 -7.641 0.613 1.00 0.99 H new ATOM 1716 N TYR B 81 -14.650 -13.218 2.222 1.00 2.56 N ATOM 1717 CA TYR B 81 -15.607 -14.304 2.009 1.00 3.13 C ATOM 1718 C TYR B 81 -14.897 -15.653 2.023 1.00 3.70 C ATOM 1719 O TYR B 81 -14.675 -16.189 3.128 1.00 4.25 O ATOM 1720 CB TYR B 81 -16.386 -14.126 0.699 1.00 3.71 C ATOM 1721 CG TYR B 81 -17.304 -12.925 0.687 1.00 4.11 C ATOM 1722 CD1 TYR B 81 -17.021 -11.816 -0.100 1.00 4.28 C ATOM 1723 CD2 TYR B 81 -18.456 -12.901 1.463 1.00 4.77 C ATOM 1724 CE1 TYR B 81 -17.859 -10.719 -0.114 1.00 4.93 C ATOM 1725 CE2 TYR B 81 -19.299 -11.807 1.455 1.00 5.51 C ATOM 1726 CZ TYR B 81 -18.996 -10.719 0.663 1.00 5.53 C ATOM 1727 OH TYR B 81 -19.834 -9.626 0.651 1.00 6.40 O ATOM 1728 OXT TYR B 81 -14.547 -16.167 0.939 1.00 4.07 O ATOM 0 H TYR B 81 -14.819 -12.682 3.073 1.00 2.56 H new ATOM 0 HA TYR B 81 -16.325 -14.273 2.829 1.00 3.13 H new ATOM 0 HB2 TYR B 81 -15.677 -14.036 -0.124 1.00 3.71 H new ATOM 0 HB3 TYR B 81 -16.976 -15.023 0.515 1.00 3.71 H new ATOM 0 HD1 TYR B 81 -16.131 -11.812 -0.711 1.00 4.28 H new ATOM 0 HD2 TYR B 81 -18.696 -13.752 2.083 1.00 4.77 H new ATOM 0 HE1 TYR B 81 -17.624 -9.865 -0.731 1.00 4.93 H new ATOM 0 HE2 TYR B 81 -20.190 -11.803 2.065 1.00 5.51 H new ATOM 0 HH TYR B 81 -20.591 -9.787 1.253 1.00 6.40 H new TER 1738 TYR B 81