USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 808 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 67 LYS NZ :NH3+ 137:sc= 0.872 (180deg=0.0675) USER MOD Set 1.2: A 85 SER OG : rot 138:sc= 0.881 USER MOD Set 1.3: A 89 THR OG1 : rot 180:sc= -0.0551 USER MOD Set 1.4: A 91 ASN : amide:sc= -1.3 K(o=0.39,f=-7.3!) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0797 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.5!) USER MOD Single : A 8 SER OG : rot 120:sc= -0.243 USER MOD Single : A 10 SER OG : rot -61:sc= 0.0116 USER MOD Single : A 12 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.261) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0675 USER MOD Single : A 15 GLN : amide:sc= -0.919 X(o=-0.92,f=-1.2) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 79:sc= -1.99! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 111:sc= -1.66 USER MOD Single : A 36 SER OG : rot -19:sc= 0.414 USER MOD Single : A 38 ASN : amide:sc= -1.09 K(o=-1.1,f=-4.6!) USER MOD Single : A 39 ASN : amide:sc= -0.0931 K(o=-0.093,f=-2.1!) USER MOD Single : A 41 SER OG : rot -82:sc= -0.231 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0.00826 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-0.62) USER MOD Single : A 65 GLN : amide:sc= -1.27 K(o=-1.3,f=-6.1!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -1.93! K(o=-1.9!,f=-0.85) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -1.4 K(o=-1.4,f=0.0084) USER MOD Single : A 92 ASN : amide:sc= -2.31 X(o=-2.3,f=-2!) USER MOD Single : A 95 HIS : no HE2:sc= -2.72 K(o=-2.7,f=-6.7!) USER MOD Single : A 97 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0018) USER MOD Single : A 98 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.0277) USER MOD Single : A 99 SER OG : rot 180:sc= 0.812 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.530 34.239 -7.326 1.00 73.32 N ATOM 2 CA GLY A 1 13.789 33.025 -7.616 1.00 74.42 C ATOM 3 C GLY A 1 13.843 32.651 -9.084 1.00 41.14 C ATOM 4 O GLY A 1 14.237 33.459 -9.924 1.00 32.12 O ATOM 0 H1 GLY A 1 15.335 34.015 -6.707 1.00 73.32 H new ATOM 0 H2 GLY A 1 14.880 34.652 -8.214 1.00 73.32 H new ATOM 0 H3 GLY A 1 13.906 34.921 -6.849 1.00 73.32 H new ATOM 0 HA2 GLY A 1 14.192 32.206 -7.020 1.00 74.42 H new ATOM 0 HA3 GLY A 1 12.750 33.157 -7.316 1.00 74.42 H new ATOM 8 N ALA A 2 13.447 31.421 -9.393 1.00 22.42 N ATOM 9 CA ALA A 2 13.451 30.940 -10.769 1.00 14.31 C ATOM 10 C ALA A 2 12.472 29.785 -10.951 1.00 21.20 C ATOM 11 O ALA A 2 11.893 29.292 -9.983 1.00 54.32 O ATOM 12 CB ALA A 2 14.854 30.514 -11.176 1.00 30.43 C ATOM 0 H ALA A 2 13.119 30.739 -8.709 1.00 22.42 H new ATOM 0 HA ALA A 2 13.130 31.758 -11.414 1.00 14.31 H new ATOM 0 HB1 ALA A 2 14.842 30.157 -12.206 1.00 30.43 H new ATOM 0 HB2 ALA A 2 15.530 31.365 -11.095 1.00 30.43 H new ATOM 0 HB3 ALA A 2 15.196 29.714 -10.519 1.00 30.43 H new ATOM 18 N MET A 3 12.290 29.359 -12.197 1.00 21.15 N ATOM 19 CA MET A 3 11.381 28.262 -12.505 1.00 32.52 C ATOM 20 C MET A 3 12.153 26.969 -12.751 1.00 1.14 C ATOM 21 O MET A 3 11.764 26.154 -13.586 1.00 34.44 O ATOM 22 CB MET A 3 10.530 28.604 -13.729 1.00 70.51 C ATOM 23 CG MET A 3 9.478 29.667 -13.459 1.00 63.43 C ATOM 24 SD MET A 3 8.514 30.078 -14.927 1.00 73.22 S ATOM 25 CE MET A 3 7.299 31.197 -14.232 1.00 34.44 C ATOM 0 H MET A 3 12.760 29.757 -13.010 1.00 21.15 H new ATOM 0 HA MET A 3 10.725 28.115 -11.647 1.00 32.52 H new ATOM 0 HB2 MET A 3 11.183 28.946 -14.531 1.00 70.51 H new ATOM 0 HB3 MET A 3 10.037 27.699 -14.083 1.00 70.51 H new ATOM 0 HG2 MET A 3 8.807 29.318 -12.674 1.00 63.43 H new ATOM 0 HG3 MET A 3 9.965 30.568 -13.085 1.00 63.43 H new ATOM 0 HE1 MET A 3 6.627 31.539 -15.019 1.00 34.44 H new ATOM 0 HE2 MET A 3 6.724 30.679 -13.464 1.00 34.44 H new ATOM 0 HE3 MET A 3 7.805 32.055 -13.789 1.00 34.44 H new ATOM 35 N GLY A 4 13.249 26.790 -12.021 1.00 71.02 N ATOM 36 CA GLY A 4 14.057 25.595 -12.177 1.00 21.21 C ATOM 37 C GLY A 4 14.441 24.977 -10.847 1.00 32.32 C ATOM 38 O GLY A 4 14.448 23.754 -10.703 1.00 73.13 O ATOM 0 H GLY A 4 13.592 27.451 -11.324 1.00 71.02 H new ATOM 0 HA2 GLY A 4 13.507 24.863 -12.769 1.00 21.21 H new ATOM 0 HA3 GLY A 4 14.961 25.841 -12.734 1.00 21.21 H new ATOM 42 N ILE A 5 14.761 25.823 -9.873 1.00 25.33 N ATOM 43 CA ILE A 5 15.148 25.351 -8.549 1.00 35.52 C ATOM 44 C ILE A 5 14.067 25.663 -7.518 1.00 41.41 C ATOM 45 O ILE A 5 14.351 25.789 -6.327 1.00 32.33 O ATOM 46 CB ILE A 5 16.475 25.984 -8.092 1.00 44.05 C ATOM 47 CG1 ILE A 5 16.386 27.510 -8.151 1.00 32.31 C ATOM 48 CG2 ILE A 5 17.625 25.481 -8.953 1.00 63.14 C ATOM 49 CD1 ILE A 5 17.379 28.208 -7.250 1.00 72.53 C ATOM 0 H ILE A 5 14.760 26.838 -9.976 1.00 25.33 H new ATOM 0 HA ILE A 5 15.277 24.271 -8.623 1.00 35.52 H new ATOM 0 HB ILE A 5 16.664 25.691 -7.059 1.00 44.05 H new ATOM 0 HG12 ILE A 5 16.548 27.836 -9.178 1.00 32.31 H new ATOM 0 HG13 ILE A 5 15.378 27.818 -7.874 1.00 32.31 H new ATOM 0 HG21 ILE A 5 18.557 25.937 -8.618 1.00 63.14 H new ATOM 0 HG22 ILE A 5 17.699 24.397 -8.864 1.00 63.14 H new ATOM 0 HG23 ILE A 5 17.444 25.748 -9.994 1.00 63.14 H new ATOM 0 HD11 ILE A 5 17.259 29.287 -7.343 1.00 72.53 H new ATOM 0 HD12 ILE A 5 17.203 27.911 -6.216 1.00 72.53 H new ATOM 0 HD13 ILE A 5 18.392 27.929 -7.540 1.00 72.53 H new ATOM 61 N ARG A 6 12.829 25.782 -7.985 1.00 74.21 N ATOM 62 CA ARG A 6 11.706 26.078 -7.103 1.00 35.21 C ATOM 63 C ARG A 6 11.254 24.824 -6.359 1.00 33.14 C ATOM 64 O ARG A 6 10.159 24.313 -6.592 1.00 23.44 O ATOM 65 CB ARG A 6 10.539 26.657 -7.904 1.00 14.54 C ATOM 66 CG ARG A 6 9.384 27.136 -7.040 1.00 13.20 C ATOM 67 CD ARG A 6 8.242 27.677 -7.886 1.00 32.21 C ATOM 68 NE ARG A 6 6.975 27.676 -7.160 1.00 15.01 N ATOM 69 CZ ARG A 6 5.846 28.174 -7.651 1.00 41.31 C ATOM 70 NH1 ARG A 6 5.826 28.709 -8.865 1.00 20.30 N1+ ATOM 71 NH2 ARG A 6 4.733 28.137 -6.930 1.00 20.21 N ATOM 0 H ARG A 6 12.578 25.678 -8.968 1.00 74.21 H new ATOM 0 HA ARG A 6 12.036 26.815 -6.371 1.00 35.21 H new ATOM 0 HB2 ARG A 6 10.901 27.490 -8.506 1.00 14.54 H new ATOM 0 HB3 ARG A 6 10.173 25.899 -8.596 1.00 14.54 H new ATOM 0 HG2 ARG A 6 9.023 26.312 -6.424 1.00 13.20 H new ATOM 0 HG3 ARG A 6 9.734 27.913 -6.360 1.00 13.20 H new ATOM 0 HD2 ARG A 6 8.476 28.693 -8.205 1.00 32.21 H new ATOM 0 HD3 ARG A 6 8.143 27.075 -8.789 1.00 32.21 H new ATOM 0 HE ARG A 6 6.956 27.270 -6.224 1.00 15.01 H new ATOM 0 HH11 ARG A 6 6.679 28.738 -9.423 1.00 20.30 H new ATOM 0 HH12 ARG A 6 4.958 29.091 -9.240 1.00 20.30 H new ATOM 0 HH21 ARG A 6 4.743 27.726 -5.997 1.00 20.21 H new ATOM 0 HH22 ARG A 6 3.867 28.520 -7.309 1.00 20.21 H new ATOM 85 N ASN A 7 12.105 24.333 -5.465 1.00 22.05 N ATOM 86 CA ASN A 7 11.794 23.138 -4.688 1.00 41.24 C ATOM 87 C ASN A 7 11.809 23.442 -3.193 1.00 31.14 C ATOM 88 O ASN A 7 12.500 24.356 -2.742 1.00 14.33 O ATOM 89 CB ASN A 7 12.794 22.025 -5.004 1.00 62.11 C ATOM 90 CG ASN A 7 12.212 20.644 -4.775 1.00 21.54 C ATOM 91 OD1 ASN A 7 11.010 20.431 -4.931 1.00 44.51 O ATOM 92 ND2 ASN A 7 13.065 19.696 -4.405 1.00 3.12 N ATOM 0 H ASN A 7 13.016 24.744 -5.260 1.00 22.05 H new ATOM 0 HA ASN A 7 10.793 22.806 -4.963 1.00 41.24 H new ATOM 0 HB2 ASN A 7 13.116 22.113 -6.042 1.00 62.11 H new ATOM 0 HB3 ASN A 7 13.681 22.150 -4.383 1.00 62.11 H new ATOM 0 HD21 ASN A 7 12.731 18.747 -4.238 1.00 3.12 H new ATOM 0 HD22 ASN A 7 14.054 19.917 -4.288 1.00 3.12 H new ATOM 99 N SER A 8 11.044 22.670 -2.430 1.00 24.22 N ATOM 100 CA SER A 8 10.966 22.858 -0.986 1.00 22.12 C ATOM 101 C SER A 8 12.343 22.711 -0.345 1.00 52.21 C ATOM 102 O SER A 8 12.701 23.463 0.561 1.00 13.32 O ATOM 103 CB SER A 8 9.995 21.848 -0.371 1.00 33.23 C ATOM 104 OG SER A 8 8.740 21.884 -1.026 1.00 33.12 O ATOM 0 H SER A 8 10.469 21.907 -2.787 1.00 24.22 H new ATOM 0 HA SER A 8 10.600 23.867 -0.794 1.00 22.12 H new ATOM 0 HB2 SER A 8 10.416 20.845 -0.440 1.00 33.23 H new ATOM 0 HB3 SER A 8 9.862 22.065 0.689 1.00 33.23 H new ATOM 0 HG SER A 8 8.548 21.004 -1.413 1.00 33.12 H new ATOM 110 N ASP A 9 13.110 21.736 -0.821 1.00 22.51 N ATOM 111 CA ASP A 9 14.448 21.489 -0.296 1.00 21.32 C ATOM 112 C ASP A 9 15.311 22.744 -0.397 1.00 15.34 C ATOM 113 O ASP A 9 15.835 23.065 -1.464 1.00 53.40 O ATOM 114 CB ASP A 9 15.111 20.337 -1.051 1.00 63.52 C ATOM 115 CG ASP A 9 14.673 18.980 -0.538 1.00 15.42 C ATOM 116 OD1 ASP A 9 14.190 18.907 0.612 1.00 63.00 O ATOM 117 OD2 ASP A 9 14.811 17.990 -1.286 1.00 72.34 O1- ATOM 0 H ASP A 9 12.828 21.104 -1.570 1.00 22.51 H new ATOM 0 HA ASP A 9 14.355 21.217 0.755 1.00 21.32 H new ATOM 0 HB2 ASP A 9 14.871 20.416 -2.111 1.00 63.52 H new ATOM 0 HB3 ASP A 9 16.194 20.424 -0.962 1.00 63.52 H new ATOM 122 N SER A 10 15.453 23.449 0.720 1.00 51.35 N ATOM 123 CA SER A 10 16.249 24.671 0.757 1.00 53.41 C ATOM 124 C SER A 10 16.374 25.195 2.184 1.00 5.23 C ATOM 125 O SER A 10 15.515 24.942 3.029 1.00 2.34 O ATOM 126 CB SER A 10 15.619 25.741 -0.138 1.00 3.51 C ATOM 127 OG SER A 10 14.436 26.261 0.444 1.00 14.25 O ATOM 0 H SER A 10 15.028 23.196 1.612 1.00 51.35 H new ATOM 0 HA SER A 10 17.247 24.437 0.386 1.00 53.41 H new ATOM 0 HB2 SER A 10 16.333 26.548 -0.302 1.00 3.51 H new ATOM 0 HB3 SER A 10 15.390 25.314 -1.115 1.00 3.51 H new ATOM 0 HG SER A 10 13.782 25.540 0.555 1.00 14.25 H new ATOM 133 N VAL A 11 17.451 25.929 2.445 1.00 42.41 N ATOM 134 CA VAL A 11 17.691 26.491 3.770 1.00 30.25 C ATOM 135 C VAL A 11 16.543 27.400 4.196 1.00 41.31 C ATOM 136 O VAL A 11 15.588 27.606 3.448 1.00 21.42 O ATOM 137 CB VAL A 11 19.007 27.290 3.811 1.00 54.01 C ATOM 138 CG1 VAL A 11 20.203 26.350 3.794 1.00 73.13 C ATOM 139 CG2 VAL A 11 19.071 28.270 2.649 1.00 11.35 C ATOM 0 H VAL A 11 18.171 26.149 1.757 1.00 42.41 H new ATOM 0 HA VAL A 11 17.763 25.652 4.462 1.00 30.25 H new ATOM 0 HB VAL A 11 19.037 27.860 4.739 1.00 54.01 H new ATOM 0 HG11 VAL A 11 21.124 26.932 3.823 1.00 73.13 H new ATOM 0 HG12 VAL A 11 20.161 25.693 4.662 1.00 73.13 H new ATOM 0 HG13 VAL A 11 20.182 25.751 2.884 1.00 73.13 H new ATOM 0 HG21 VAL A 11 20.007 28.826 2.693 1.00 11.35 H new ATOM 0 HG22 VAL A 11 19.018 27.722 1.708 1.00 11.35 H new ATOM 0 HG23 VAL A 11 18.233 28.964 2.712 1.00 11.35 H new ATOM 149 N LYS A 12 16.644 27.941 5.405 1.00 62.13 N ATOM 150 CA LYS A 12 15.616 28.831 5.934 1.00 73.34 C ATOM 151 C LYS A 12 16.243 30.013 6.667 1.00 3.33 C ATOM 152 O LYS A 12 16.215 30.097 7.895 1.00 14.33 O ATOM 153 CB LYS A 12 14.686 28.065 6.878 1.00 2.21 C ATOM 154 CG LYS A 12 14.005 26.875 6.227 1.00 61.00 C ATOM 155 CD LYS A 12 14.828 25.607 6.382 1.00 54.34 C ATOM 156 CE LYS A 12 13.951 24.365 6.344 1.00 72.12 C ATOM 157 NZ LYS A 12 13.207 24.171 7.620 1.00 15.34 N1+ ATOM 0 H LYS A 12 17.427 27.779 6.038 1.00 62.13 H new ATOM 0 HA LYS A 12 15.036 29.214 5.095 1.00 73.34 H new ATOM 0 HB2 LYS A 12 15.260 27.719 7.738 1.00 2.21 H new ATOM 0 HB3 LYS A 12 13.924 28.747 7.256 1.00 2.21 H new ATOM 0 HG2 LYS A 12 13.022 26.728 6.674 1.00 61.00 H new ATOM 0 HG3 LYS A 12 13.847 27.080 5.168 1.00 61.00 H new ATOM 0 HD2 LYS A 12 15.570 25.554 5.585 1.00 54.34 H new ATOM 0 HD3 LYS A 12 15.374 25.639 7.325 1.00 54.34 H new ATOM 0 HE2 LYS A 12 13.243 24.446 5.519 1.00 72.12 H new ATOM 0 HE3 LYS A 12 14.570 23.489 6.148 1.00 72.12 H new ATOM 0 HZ1 LYS A 12 13.180 23.158 7.856 1.00 15.34 H new ATOM 0 HZ2 LYS A 12 13.685 24.692 8.383 1.00 15.34 H new ATOM 0 HZ3 LYS A 12 12.236 24.527 7.513 1.00 15.34 H new ATOM 171 N PRO A 13 16.821 30.948 5.899 1.00 65.41 N ATOM 172 CA PRO A 13 17.464 32.142 6.455 1.00 11.50 C ATOM 173 C PRO A 13 16.457 33.117 7.054 1.00 11.34 C ATOM 174 O PRO A 13 15.256 32.844 7.087 1.00 73.15 O ATOM 175 CB PRO A 13 18.158 32.768 5.242 1.00 0.34 C ATOM 176 CG PRO A 13 17.377 32.289 4.068 1.00 53.31 C ATOM 177 CD PRO A 13 16.892 30.910 4.429 1.00 75.22 C ATOM 0 HA PRO A 13 18.142 31.897 7.272 1.00 11.50 H new ATOM 0 HB2 PRO A 13 18.154 33.856 5.302 1.00 0.34 H new ATOM 0 HB3 PRO A 13 19.200 32.456 5.178 1.00 0.34 H new ATOM 0 HG2 PRO A 13 16.540 32.955 3.858 1.00 53.31 H new ATOM 0 HG3 PRO A 13 17.996 32.263 3.171 1.00 53.31 H new ATOM 0 HD2 PRO A 13 15.920 30.697 3.985 1.00 75.22 H new ATOM 0 HD3 PRO A 13 17.578 30.138 4.080 1.00 75.22 H new ATOM 185 N THR A 14 16.952 34.257 7.526 1.00 50.15 N ATOM 186 CA THR A 14 16.095 35.272 8.124 1.00 1.34 C ATOM 187 C THR A 14 15.492 36.180 7.058 1.00 54.32 C ATOM 188 O THR A 14 16.167 36.563 6.102 1.00 63.22 O ATOM 189 CB THR A 14 16.869 36.135 9.138 1.00 4.25 C ATOM 190 OG1 THR A 14 18.245 36.228 8.752 1.00 32.32 O ATOM 191 CG2 THR A 14 16.769 35.546 10.537 1.00 71.31 C ATOM 0 H THR A 14 17.942 34.500 7.505 1.00 50.15 H new ATOM 0 HA THR A 14 15.295 34.744 8.643 1.00 1.34 H new ATOM 0 HB THR A 14 16.426 37.131 9.147 1.00 4.25 H new ATOM 0 HG1 THR A 14 18.730 36.780 9.401 1.00 32.32 H new ATOM 0 HG21 THR A 14 17.323 36.172 11.236 1.00 71.31 H new ATOM 0 HG22 THR A 14 15.723 35.503 10.840 1.00 71.31 H new ATOM 0 HG23 THR A 14 17.189 34.540 10.539 1.00 71.31 H new ATOM 199 N GLN A 15 14.219 36.523 7.229 1.00 40.52 N ATOM 200 CA GLN A 15 13.526 37.387 6.281 1.00 43.15 C ATOM 201 C GLN A 15 12.640 38.393 7.008 1.00 33.21 C ATOM 202 O GLN A 15 12.115 38.106 8.083 1.00 53.53 O ATOM 203 CB GLN A 15 12.684 36.549 5.317 1.00 31.55 C ATOM 204 CG GLN A 15 11.922 35.422 5.996 1.00 43.34 C ATOM 205 CD GLN A 15 11.163 34.555 5.011 1.00 4.04 C ATOM 206 OE1 GLN A 15 11.194 33.327 5.097 1.00 13.04 O ATOM 207 NE2 GLN A 15 10.477 35.190 4.069 1.00 54.10 N ATOM 0 H GLN A 15 13.647 36.216 8.015 1.00 40.52 H new ATOM 0 HA GLN A 15 14.276 37.937 5.713 1.00 43.15 H new ATOM 0 HB2 GLN A 15 11.974 37.201 4.807 1.00 31.55 H new ATOM 0 HB3 GLN A 15 13.335 36.127 4.552 1.00 31.55 H new ATOM 0 HG2 GLN A 15 12.621 34.802 6.557 1.00 43.34 H new ATOM 0 HG3 GLN A 15 11.222 35.844 6.717 1.00 43.34 H new ATOM 0 HE21 GLN A 15 10.480 36.209 4.036 1.00 54.10 H new ATOM 0 HE22 GLN A 15 9.947 34.659 3.378 1.00 54.10 H new ATOM 216 N GLN A 16 12.477 39.570 6.413 1.00 34.12 N ATOM 217 CA GLN A 16 11.654 40.618 7.004 1.00 54.22 C ATOM 218 C GLN A 16 10.270 40.087 7.362 1.00 30.53 C ATOM 219 O GLN A 16 9.807 40.243 8.491 1.00 42.22 O ATOM 220 CB GLN A 16 11.528 41.800 6.042 1.00 60.44 C ATOM 221 CG GLN A 16 10.981 43.060 6.696 1.00 73.51 C ATOM 222 CD GLN A 16 11.440 44.325 5.998 1.00 50.44 C ATOM 223 OE1 GLN A 16 11.231 44.496 4.796 1.00 75.13 O ATOM 224 NE2 GLN A 16 12.069 45.221 6.749 1.00 74.11 N ATOM 0 H GLN A 16 12.904 39.822 5.522 1.00 34.12 H new ATOM 0 HA GLN A 16 12.141 40.955 7.919 1.00 54.22 H new ATOM 0 HB2 GLN A 16 12.507 42.017 5.616 1.00 60.44 H new ATOM 0 HB3 GLN A 16 10.876 41.517 5.215 1.00 60.44 H new ATOM 0 HG2 GLN A 16 9.892 43.023 6.693 1.00 73.51 H new ATOM 0 HG3 GLN A 16 11.296 43.090 7.739 1.00 73.51 H new ATOM 0 HE21 GLN A 16 12.221 45.039 7.741 1.00 74.11 H new ATOM 0 HE22 GLN A 16 12.400 46.092 6.334 1.00 74.11 H new ATOM 233 N ALA A 17 9.614 39.459 6.391 1.00 72.44 N ATOM 234 CA ALA A 17 8.283 38.904 6.604 1.00 21.42 C ATOM 235 C ALA A 17 8.291 37.878 7.732 1.00 22.12 C ATOM 236 O ALA A 17 8.793 36.766 7.570 1.00 4.12 O ATOM 237 CB ALA A 17 7.763 38.274 5.320 1.00 42.13 C ATOM 0 H ALA A 17 9.983 39.322 5.450 1.00 72.44 H new ATOM 0 HA ALA A 17 7.618 39.718 6.892 1.00 21.42 H new ATOM 0 HB1 ALA A 17 6.768 37.863 5.493 1.00 42.13 H new ATOM 0 HB2 ALA A 17 7.712 39.031 4.538 1.00 42.13 H new ATOM 0 HB3 ALA A 17 8.436 37.475 5.008 1.00 42.13 H new ATOM 243 N ARG A 18 7.732 38.260 8.876 1.00 33.52 N ATOM 244 CA ARG A 18 7.676 37.374 10.033 1.00 13.22 C ATOM 245 C ARG A 18 7.111 36.010 9.646 1.00 32.13 C ATOM 246 O ARG A 18 5.920 35.860 9.368 1.00 45.04 O ATOM 247 CB ARG A 18 6.821 37.997 11.138 1.00 74.21 C ATOM 248 CG ARG A 18 7.069 37.394 12.511 1.00 51.14 C ATOM 249 CD ARG A 18 6.075 36.284 12.819 1.00 72.54 C ATOM 250 NE ARG A 18 5.650 36.302 14.216 1.00 24.34 N ATOM 251 CZ ARG A 18 4.925 35.340 14.776 1.00 34.35 C ATOM 252 NH1 ARG A 18 4.549 34.288 14.061 1.00 13.44 N1+ ATOM 253 NH2 ARG A 18 4.576 35.428 16.053 1.00 44.41 N ATOM 0 H ARG A 18 7.312 39.177 9.026 1.00 33.52 H new ATOM 0 HA ARG A 18 8.692 37.236 10.403 1.00 13.22 H new ATOM 0 HB2 ARG A 18 7.019 39.068 11.179 1.00 74.21 H new ATOM 0 HB3 ARG A 18 5.768 37.877 10.882 1.00 74.21 H new ATOM 0 HG2 ARG A 18 8.084 36.999 12.558 1.00 51.14 H new ATOM 0 HG3 ARG A 18 6.994 38.172 13.271 1.00 51.14 H new ATOM 0 HD2 ARG A 18 5.203 36.389 12.173 1.00 72.54 H new ATOM 0 HD3 ARG A 18 6.527 35.319 12.590 1.00 72.54 H new ATOM 0 HE ARG A 18 5.925 37.097 14.793 1.00 24.34 H new ATOM 0 HH11 ARG A 18 4.817 34.217 13.079 1.00 13.44 H new ATOM 0 HH12 ARG A 18 3.992 33.550 14.493 1.00 13.44 H new ATOM 0 HH21 ARG A 18 4.864 36.235 16.606 1.00 44.41 H new ATOM 0 HH22 ARG A 18 4.019 34.689 16.482 1.00 44.41 H new ATOM 267 N PRO A 19 7.983 34.992 9.627 1.00 42.30 N ATOM 268 CA PRO A 19 7.593 33.623 9.276 1.00 72.54 C ATOM 269 C PRO A 19 6.714 32.978 10.342 1.00 40.44 C ATOM 270 O PRO A 19 6.796 33.324 11.522 1.00 14.01 O ATOM 271 CB PRO A 19 8.933 32.889 9.172 1.00 10.11 C ATOM 272 CG PRO A 19 9.858 33.665 10.045 1.00 63.22 C ATOM 273 CD PRO A 19 9.416 35.098 9.947 1.00 44.21 C ATOM 0 HA PRO A 19 7.000 33.590 8.362 1.00 72.54 H new ATOM 0 HB2 PRO A 19 8.846 31.856 9.507 1.00 10.11 H new ATOM 0 HB3 PRO A 19 9.290 32.861 8.143 1.00 10.11 H new ATOM 0 HG2 PRO A 19 9.811 33.312 11.075 1.00 63.22 H new ATOM 0 HG3 PRO A 19 10.891 33.552 9.717 1.00 63.22 H new ATOM 0 HD2 PRO A 19 9.580 35.634 10.882 1.00 44.21 H new ATOM 0 HD3 PRO A 19 9.962 35.635 9.171 1.00 44.21 H new ATOM 281 N THR A 20 5.873 32.039 9.921 1.00 65.22 N ATOM 282 CA THR A 20 4.979 31.347 10.840 1.00 1.42 C ATOM 283 C THR A 20 5.225 29.843 10.819 1.00 44.04 C ATOM 284 O THR A 20 5.306 29.232 9.752 1.00 14.52 O ATOM 285 CB THR A 20 3.502 31.620 10.497 1.00 74.14 C ATOM 286 OG1 THR A 20 3.260 33.030 10.453 1.00 14.13 O ATOM 287 CG2 THR A 20 2.580 30.975 11.523 1.00 21.30 C ATOM 0 H THR A 20 5.792 31.740 8.949 1.00 65.22 H new ATOM 0 HA THR A 20 5.190 31.732 11.838 1.00 1.42 H new ATOM 0 HB THR A 20 3.294 31.186 9.519 1.00 74.14 H new ATOM 0 HG1 THR A 20 3.582 33.391 9.600 1.00 14.13 H new ATOM 0 HG21 THR A 20 1.542 31.181 11.260 1.00 21.30 H new ATOM 0 HG22 THR A 20 2.744 29.898 11.533 1.00 21.30 H new ATOM 0 HG23 THR A 20 2.792 31.384 12.511 1.00 21.30 H new ATOM 295 N VAL A 21 5.341 29.249 12.002 1.00 72.24 N ATOM 296 CA VAL A 21 5.576 27.815 12.119 1.00 21.13 C ATOM 297 C VAL A 21 4.333 27.095 12.629 1.00 13.22 C ATOM 298 O VAL A 21 3.725 27.509 13.617 1.00 54.24 O ATOM 299 CB VAL A 21 6.754 27.516 13.064 1.00 64.20 C ATOM 300 CG1 VAL A 21 6.511 28.128 14.435 1.00 41.02 C ATOM 301 CG2 VAL A 21 6.979 26.015 13.175 1.00 62.22 C ATOM 0 H VAL A 21 5.276 29.739 12.894 1.00 72.24 H new ATOM 0 HA VAL A 21 5.819 27.450 11.121 1.00 21.13 H new ATOM 0 HB VAL A 21 7.654 27.967 12.646 1.00 64.20 H new ATOM 0 HG11 VAL A 21 7.355 27.905 15.088 1.00 41.02 H new ATOM 0 HG12 VAL A 21 6.403 29.208 14.337 1.00 41.02 H new ATOM 0 HG13 VAL A 21 5.600 27.710 14.864 1.00 41.02 H new ATOM 0 HG21 VAL A 21 7.815 25.821 13.847 1.00 62.22 H new ATOM 0 HG22 VAL A 21 6.080 25.540 13.568 1.00 62.22 H new ATOM 0 HG23 VAL A 21 7.203 25.607 12.189 1.00 62.22 H new ATOM 311 N ILE A 22 3.961 26.015 11.950 1.00 3.43 N ATOM 312 CA ILE A 22 2.792 25.236 12.336 1.00 12.44 C ATOM 313 C ILE A 22 3.174 23.796 12.661 1.00 32.43 C ATOM 314 O ILE A 22 3.979 23.183 11.960 1.00 24.12 O ATOM 315 CB ILE A 22 1.725 25.234 11.225 1.00 33.05 C ATOM 316 CG1 ILE A 22 1.460 26.661 10.739 1.00 70.13 C ATOM 317 CG2 ILE A 22 0.440 24.592 11.725 1.00 52.15 C ATOM 318 CD1 ILE A 22 0.438 26.740 9.627 1.00 60.50 C ATOM 0 H ILE A 22 4.453 25.660 11.130 1.00 3.43 H new ATOM 0 HA ILE A 22 2.377 25.709 13.226 1.00 12.44 H new ATOM 0 HB ILE A 22 2.098 24.648 10.385 1.00 33.05 H new ATOM 0 HG12 ILE A 22 1.118 27.265 11.580 1.00 70.13 H new ATOM 0 HG13 ILE A 22 2.397 27.098 10.393 1.00 70.13 H new ATOM 0 HG21 ILE A 22 -0.304 24.598 10.928 1.00 52.15 H new ATOM 0 HG22 ILE A 22 0.640 23.564 12.026 1.00 52.15 H new ATOM 0 HG23 ILE A 22 0.061 25.153 12.579 1.00 52.15 H new ATOM 0 HD11 ILE A 22 0.300 27.780 9.333 1.00 60.50 H new ATOM 0 HD12 ILE A 22 0.787 26.164 8.770 1.00 60.50 H new ATOM 0 HD13 ILE A 22 -0.511 26.333 9.976 1.00 60.50 H new ATOM 330 N ARG A 23 2.588 23.261 13.728 1.00 11.32 N ATOM 331 CA ARG A 23 2.867 21.893 14.146 1.00 71.41 C ATOM 332 C ARG A 23 1.707 20.967 13.786 1.00 72.25 C ATOM 333 O ARG A 23 0.556 21.398 13.717 1.00 15.13 O ATOM 334 CB ARG A 23 3.126 21.840 15.653 1.00 10.01 C ATOM 335 CG ARG A 23 3.451 20.447 16.167 1.00 51.15 C ATOM 336 CD ARG A 23 4.220 20.501 17.478 1.00 13.14 C ATOM 337 NE ARG A 23 3.478 19.883 18.573 1.00 73.24 N ATOM 338 CZ ARG A 23 2.513 20.500 19.247 1.00 1.22 C ATOM 339 NH1 ARG A 23 2.176 21.745 18.938 1.00 61.23 N1+ ATOM 340 NH2 ARG A 23 1.884 19.872 20.232 1.00 60.42 N ATOM 0 H ARG A 23 1.918 23.754 14.318 1.00 11.32 H new ATOM 0 HA ARG A 23 3.758 21.553 13.619 1.00 71.41 H new ATOM 0 HB2 ARG A 23 3.952 22.509 15.895 1.00 10.01 H new ATOM 0 HB3 ARG A 23 2.247 22.216 16.177 1.00 10.01 H new ATOM 0 HG2 ARG A 23 2.527 19.886 16.309 1.00 51.15 H new ATOM 0 HG3 ARG A 23 4.038 19.911 15.421 1.00 51.15 H new ATOM 0 HD2 ARG A 23 5.178 19.995 17.358 1.00 13.14 H new ATOM 0 HD3 ARG A 23 4.438 21.539 17.728 1.00 13.14 H new ATOM 0 HE ARG A 23 3.713 18.926 18.835 1.00 73.24 H new ATOM 0 HH11 ARG A 23 2.658 22.231 18.182 1.00 61.23 H new ATOM 0 HH12 ARG A 23 1.435 22.216 19.457 1.00 61.23 H new ATOM 0 HH21 ARG A 23 2.141 18.915 20.473 1.00 60.42 H new ATOM 0 HH22 ARG A 23 1.144 20.347 20.749 1.00 60.42 H new ATOM 354 N TRP A 24 2.019 19.697 13.559 1.00 3.23 N ATOM 355 CA TRP A 24 1.004 18.712 13.206 1.00 15.23 C ATOM 356 C TRP A 24 1.165 17.442 14.034 1.00 63.45 C ATOM 357 O TRP A 24 2.267 16.907 14.156 1.00 54.01 O ATOM 358 CB TRP A 24 1.084 18.377 11.716 1.00 72.25 C ATOM 359 CG TRP A 24 0.210 17.227 11.317 1.00 3.34 C ATOM 360 CD1 TRP A 24 0.612 15.956 11.021 1.00 34.04 C ATOM 361 CD2 TRP A 24 -1.213 17.244 11.168 1.00 1.53 C ATOM 362 NE1 TRP A 24 -0.476 15.181 10.698 1.00 1.41 N ATOM 363 CE2 TRP A 24 -1.608 15.949 10.781 1.00 15.10 C ATOM 364 CE3 TRP A 24 -2.194 18.227 11.326 1.00 14.44 C ATOM 365 CZ2 TRP A 24 -2.939 15.613 10.550 1.00 13.31 C ATOM 366 CZ3 TRP A 24 -3.515 17.893 11.096 1.00 61.15 C ATOM 367 CH2 TRP A 24 -3.878 16.595 10.712 1.00 33.23 C ATOM 0 H TRP A 24 2.967 19.325 13.613 1.00 3.23 H new ATOM 0 HA TRP A 24 0.026 19.143 13.422 1.00 15.23 H new ATOM 0 HB2 TRP A 24 0.801 19.257 11.138 1.00 72.25 H new ATOM 0 HB3 TRP A 24 2.117 18.145 11.458 1.00 72.25 H new ATOM 0 HD1 TRP A 24 1.635 15.610 11.038 1.00 34.04 H new ATOM 0 HE1 TRP A 24 -0.446 14.195 10.439 1.00 1.41 H new ATOM 0 HE3 TRP A 24 -1.924 19.230 11.623 1.00 14.44 H new ATOM 0 HZ2 TRP A 24 -3.220 14.613 10.254 1.00 13.31 H new ATOM 0 HZ3 TRP A 24 -4.281 18.645 11.214 1.00 61.15 H new ATOM 0 HH2 TRP A 24 -4.919 16.365 10.541 1.00 33.23 H new ATOM 378 N SER A 25 0.062 16.967 14.601 1.00 32.42 N ATOM 379 CA SER A 25 0.083 15.761 15.422 1.00 61.31 C ATOM 380 C SER A 25 -1.003 14.785 14.981 1.00 1.43 C ATOM 381 O SER A 25 -2.193 15.043 15.157 1.00 0.20 O ATOM 382 CB SER A 25 -0.107 16.119 16.898 1.00 74.14 C ATOM 383 OG SER A 25 -0.072 14.959 17.712 1.00 11.02 O ATOM 0 H SER A 25 -0.858 17.398 14.508 1.00 32.42 H new ATOM 0 HA SER A 25 1.053 15.281 15.294 1.00 61.31 H new ATOM 0 HB2 SER A 25 0.675 16.811 17.211 1.00 74.14 H new ATOM 0 HB3 SER A 25 -1.059 16.632 17.031 1.00 74.14 H new ATOM 0 HG SER A 25 -0.194 15.214 18.650 1.00 11.02 H new ATOM 389 N GLU A 26 -0.582 13.662 14.406 1.00 53.04 N ATOM 390 CA GLU A 26 -1.519 12.646 13.937 1.00 60.10 C ATOM 391 C GLU A 26 -0.855 11.273 13.895 1.00 74.23 C ATOM 392 O GLU A 26 -1.409 10.289 14.382 1.00 22.33 O ATOM 393 CB GLU A 26 -2.050 13.012 12.550 1.00 62.15 C ATOM 394 CG GLU A 26 -3.308 12.252 12.160 1.00 12.22 C ATOM 395 CD GLU A 26 -3.454 12.099 10.660 1.00 34.13 C ATOM 396 OE1 GLU A 26 -2.565 11.483 10.036 1.00 23.12 O1- ATOM 397 OE2 GLU A 26 -4.460 12.594 10.109 1.00 61.43 O ATOM 0 H GLU A 26 0.400 13.433 14.254 1.00 53.04 H new ATOM 0 HA GLU A 26 -2.353 12.605 14.637 1.00 60.10 H new ATOM 0 HB2 GLU A 26 -2.258 14.082 12.520 1.00 62.15 H new ATOM 0 HB3 GLU A 26 -1.274 12.817 11.810 1.00 62.15 H new ATOM 0 HG2 GLU A 26 -3.290 11.265 12.622 1.00 12.22 H new ATOM 0 HG3 GLU A 26 -4.180 12.773 12.555 1.00 12.22 H new ATOM 404 N GLY A 27 0.335 11.215 13.305 1.00 15.14 N ATOM 405 CA GLY A 27 1.055 9.959 13.208 1.00 4.13 C ATOM 406 C GLY A 27 1.186 9.474 11.778 1.00 73.25 C ATOM 407 O GLY A 27 1.067 8.281 11.506 1.00 40.05 O ATOM 0 H GLY A 27 0.813 12.016 12.892 1.00 15.14 H new ATOM 0 HA2 GLY A 27 2.049 10.079 13.640 1.00 4.13 H new ATOM 0 HA3 GLY A 27 0.540 9.202 13.799 1.00 4.13 H new ATOM 411 N GLY A 28 1.429 10.405 10.859 1.00 1.41 N ATOM 412 CA GLY A 28 1.571 10.047 9.461 1.00 61.23 C ATOM 413 C GLY A 28 3.020 9.984 9.020 1.00 31.04 C ATOM 414 O GLY A 28 3.914 10.436 9.737 1.00 11.20 O ATOM 0 H GLY A 28 1.530 11.400 11.059 1.00 1.41 H new ATOM 0 HA2 GLY A 28 1.100 9.079 9.288 1.00 61.23 H new ATOM 0 HA3 GLY A 28 1.040 10.775 8.848 1.00 61.23 H new ATOM 418 N LYS A 29 3.254 9.421 7.840 1.00 2.02 N ATOM 419 CA LYS A 29 4.605 9.300 7.305 1.00 70.24 C ATOM 420 C LYS A 29 4.981 10.533 6.490 1.00 44.33 C ATOM 421 O LYS A 29 6.052 11.110 6.678 1.00 44.34 O ATOM 422 CB LYS A 29 4.720 8.047 6.434 1.00 33.13 C ATOM 423 CG LYS A 29 4.457 6.755 7.190 1.00 54.20 C ATOM 424 CD LYS A 29 3.497 5.853 6.434 1.00 2.42 C ATOM 425 CE LYS A 29 3.250 4.550 7.180 1.00 32.15 C ATOM 426 NZ LYS A 29 1.951 4.565 7.908 1.00 31.05 N1+ ATOM 0 H LYS A 29 2.526 9.041 7.236 1.00 2.02 H new ATOM 0 HA LYS A 29 5.295 9.217 8.145 1.00 70.24 H new ATOM 0 HB2 LYS A 29 4.015 8.124 5.606 1.00 33.13 H new ATOM 0 HB3 LYS A 29 5.719 8.007 5.999 1.00 33.13 H new ATOM 0 HG2 LYS A 29 5.398 6.230 7.354 1.00 54.20 H new ATOM 0 HG3 LYS A 29 4.045 6.985 8.173 1.00 54.20 H new ATOM 0 HD2 LYS A 29 2.550 6.372 6.284 1.00 2.42 H new ATOM 0 HD3 LYS A 29 3.902 5.636 5.446 1.00 2.42 H new ATOM 0 HE2 LYS A 29 3.261 3.720 6.474 1.00 32.15 H new ATOM 0 HE3 LYS A 29 4.061 4.377 7.888 1.00 32.15 H new ATOM 0 HZ1 LYS A 29 1.820 3.660 8.403 1.00 31.05 H new ATOM 0 HZ2 LYS A 29 1.950 5.342 8.600 1.00 31.05 H new ATOM 0 HZ3 LYS A 29 1.175 4.704 7.230 1.00 31.05 H new ATOM 440 N GLU A 30 4.091 10.934 5.586 1.00 70.41 N ATOM 441 CA GLU A 30 4.331 12.099 4.744 1.00 31.12 C ATOM 442 C GLU A 30 3.283 13.180 4.999 1.00 62.13 C ATOM 443 O GLU A 30 2.093 12.973 4.763 1.00 50.04 O ATOM 444 CB GLU A 30 4.320 11.701 3.267 1.00 52.54 C ATOM 445 CG GLU A 30 5.187 10.492 2.957 1.00 64.11 C ATOM 446 CD GLU A 30 5.164 10.120 1.486 1.00 64.32 C ATOM 447 OE1 GLU A 30 5.294 11.031 0.642 1.00 24.13 O1- ATOM 448 OE2 GLU A 30 5.018 8.919 1.181 1.00 41.54 O ATOM 0 H GLU A 30 3.199 10.469 5.419 1.00 70.41 H new ATOM 0 HA GLU A 30 5.312 12.501 4.996 1.00 31.12 H new ATOM 0 HB2 GLU A 30 3.295 11.490 2.964 1.00 52.54 H new ATOM 0 HB3 GLU A 30 4.662 12.546 2.669 1.00 52.54 H new ATOM 0 HG2 GLU A 30 6.214 10.698 3.260 1.00 64.11 H new ATOM 0 HG3 GLU A 30 4.845 9.643 3.548 1.00 64.11 H new ATOM 455 N VAL A 31 3.735 14.332 5.484 1.00 74.14 N ATOM 456 CA VAL A 31 2.838 15.444 5.770 1.00 50.44 C ATOM 457 C VAL A 31 3.241 16.691 4.990 1.00 42.45 C ATOM 458 O VAL A 31 4.427 16.971 4.817 1.00 5.15 O ATOM 459 CB VAL A 31 2.819 15.777 7.274 1.00 42.23 C ATOM 460 CG1 VAL A 31 1.775 16.843 7.572 1.00 75.11 C ATOM 461 CG2 VAL A 31 2.560 14.522 8.094 1.00 3.42 C ATOM 0 H VAL A 31 4.717 14.519 5.687 1.00 74.14 H new ATOM 0 HA VAL A 31 1.840 15.133 5.461 1.00 50.44 H new ATOM 0 HB VAL A 31 3.796 16.171 7.553 1.00 42.23 H new ATOM 0 HG11 VAL A 31 1.776 17.065 8.639 1.00 75.11 H new ATOM 0 HG12 VAL A 31 2.010 17.749 7.013 1.00 75.11 H new ATOM 0 HG13 VAL A 31 0.790 16.480 7.278 1.00 75.11 H new ATOM 0 HG21 VAL A 31 2.550 14.776 9.154 1.00 3.42 H new ATOM 0 HG22 VAL A 31 1.596 14.097 7.813 1.00 3.42 H new ATOM 0 HG23 VAL A 31 3.348 13.793 7.903 1.00 3.42 H new ATOM 471 N PHE A 32 2.245 17.437 4.521 1.00 3.30 N ATOM 472 CA PHE A 32 2.496 18.654 3.759 1.00 33.30 C ATOM 473 C PHE A 32 1.519 19.757 4.158 1.00 0.43 C ATOM 474 O PHE A 32 0.590 19.526 4.931 1.00 64.31 O ATOM 475 CB PHE A 32 2.383 18.374 2.259 1.00 54.22 C ATOM 476 CG PHE A 32 3.109 17.134 1.825 1.00 44.23 C ATOM 477 CD1 PHE A 32 2.481 15.899 1.856 1.00 31.12 C ATOM 478 CD2 PHE A 32 4.421 17.201 1.384 1.00 61.04 C ATOM 479 CE1 PHE A 32 3.147 14.756 1.458 1.00 15.41 C ATOM 480 CE2 PHE A 32 5.094 16.062 0.984 1.00 62.11 C ATOM 481 CZ PHE A 32 4.455 14.838 1.019 1.00 40.11 C ATOM 0 H PHE A 32 1.258 17.220 4.656 1.00 3.30 H new ATOM 0 HA PHE A 32 3.508 18.991 3.983 1.00 33.30 H new ATOM 0 HB2 PHE A 32 1.330 18.281 1.993 1.00 54.22 H new ATOM 0 HB3 PHE A 32 2.777 19.228 1.707 1.00 54.22 H new ATOM 0 HD1 PHE A 32 1.458 15.829 2.196 1.00 31.12 H new ATOM 0 HD2 PHE A 32 4.924 18.156 1.352 1.00 61.04 H new ATOM 0 HE1 PHE A 32 2.646 13.800 1.490 1.00 15.41 H new ATOM 0 HE2 PHE A 32 6.117 16.129 0.645 1.00 62.11 H new ATOM 0 HZ PHE A 32 4.977 13.946 0.704 1.00 40.11 H new ATOM 491 N ILE A 33 1.737 20.953 3.623 1.00 13.34 N ATOM 492 CA ILE A 33 0.876 22.091 3.922 1.00 72.44 C ATOM 493 C ILE A 33 0.667 22.961 2.688 1.00 11.41 C ATOM 494 O ILE A 33 1.574 23.130 1.873 1.00 13.30 O ATOM 495 CB ILE A 33 1.460 22.957 5.054 1.00 15.35 C ATOM 496 CG1 ILE A 33 0.547 24.153 5.333 1.00 53.51 C ATOM 497 CG2 ILE A 33 2.862 23.427 4.692 1.00 11.24 C ATOM 498 CD1 ILE A 33 0.789 24.794 6.682 1.00 0.14 C ATOM 0 H ILE A 33 2.502 21.160 2.981 1.00 13.34 H new ATOM 0 HA ILE A 33 -0.083 21.685 4.244 1.00 72.44 H new ATOM 0 HB ILE A 33 1.523 22.353 5.959 1.00 15.35 H new ATOM 0 HG12 ILE A 33 0.692 24.900 4.553 1.00 53.51 H new ATOM 0 HG13 ILE A 33 -0.492 23.829 5.275 1.00 53.51 H new ATOM 0 HG21 ILE A 33 3.261 24.038 5.502 1.00 11.24 H new ATOM 0 HG22 ILE A 33 3.507 22.562 4.538 1.00 11.24 H new ATOM 0 HG23 ILE A 33 2.823 24.018 3.777 1.00 11.24 H new ATOM 0 HD11 ILE A 33 0.108 25.635 6.813 1.00 0.14 H new ATOM 0 HD12 ILE A 33 0.616 24.061 7.470 1.00 0.14 H new ATOM 0 HD13 ILE A 33 1.818 25.149 6.737 1.00 0.14 H new ATOM 510 N SER A 34 -0.535 23.513 2.556 1.00 74.21 N ATOM 511 CA SER A 34 -0.865 24.365 1.420 1.00 21.11 C ATOM 512 C SER A 34 -1.969 25.353 1.784 1.00 75.54 C ATOM 513 O SER A 34 -2.913 25.012 2.494 1.00 75.43 O ATOM 514 CB SER A 34 -1.301 23.512 0.226 1.00 25.35 C ATOM 515 OG SER A 34 -0.438 22.403 0.049 1.00 52.43 O ATOM 0 H SER A 34 -1.297 23.385 3.222 1.00 74.21 H new ATOM 0 HA SER A 34 0.028 24.929 1.149 1.00 21.11 H new ATOM 0 HB2 SER A 34 -2.322 23.162 0.379 1.00 25.35 H new ATOM 0 HB3 SER A 34 -1.305 24.121 -0.678 1.00 25.35 H new ATOM 0 HG SER A 34 -0.918 21.577 0.269 1.00 52.43 H new ATOM 521 N GLY A 35 -1.842 26.581 1.290 1.00 54.31 N ATOM 522 CA GLY A 35 -2.835 27.600 1.573 1.00 42.32 C ATOM 523 C GLY A 35 -2.766 28.762 0.602 1.00 45.21 C ATOM 524 O GLY A 35 -2.107 28.676 -0.434 1.00 21.03 O ATOM 0 H GLY A 35 -1.069 26.888 0.699 1.00 54.31 H new ATOM 0 HA2 GLY A 35 -3.829 27.155 1.533 1.00 42.32 H new ATOM 0 HA3 GLY A 35 -2.692 27.970 2.588 1.00 42.32 H new ATOM 528 N SER A 36 -3.450 29.852 0.936 1.00 75.24 N ATOM 529 CA SER A 36 -3.470 31.035 0.083 1.00 34.33 C ATOM 530 C SER A 36 -2.106 31.720 0.075 1.00 71.13 C ATOM 531 O SER A 36 -1.845 32.598 -0.747 1.00 4.31 O ATOM 532 CB SER A 36 -4.543 32.015 0.558 1.00 65.34 C ATOM 533 OG SER A 36 -4.560 33.181 -0.247 1.00 13.12 O ATOM 0 H SER A 36 -3.998 29.940 1.792 1.00 75.24 H new ATOM 0 HA SER A 36 -3.704 30.717 -0.933 1.00 34.33 H new ATOM 0 HB2 SER A 36 -5.520 31.533 0.526 1.00 65.34 H new ATOM 0 HB3 SER A 36 -4.356 32.289 1.596 1.00 65.34 H new ATOM 0 HG SER A 36 -3.709 33.260 -0.726 1.00 13.12 H new ATOM 539 N PHE A 37 -1.240 31.312 0.997 1.00 23.10 N ATOM 540 CA PHE A 37 0.096 31.886 1.097 1.00 11.12 C ATOM 541 C PHE A 37 0.975 31.426 -0.061 1.00 50.51 C ATOM 542 O PHE A 37 2.004 32.034 -0.354 1.00 73.12 O ATOM 543 CB PHE A 37 0.742 31.498 2.429 1.00 22.03 C ATOM 544 CG PHE A 37 0.865 30.013 2.624 1.00 62.52 C ATOM 545 CD1 PHE A 37 1.953 29.321 2.115 1.00 1.14 C ATOM 546 CD2 PHE A 37 -0.107 29.309 3.316 1.00 4.33 C ATOM 547 CE1 PHE A 37 2.070 27.956 2.293 1.00 24.12 C ATOM 548 CE2 PHE A 37 0.005 27.943 3.498 1.00 63.12 C ATOM 549 CZ PHE A 37 1.094 27.266 2.985 1.00 45.15 C ATOM 0 H PHE A 37 -1.440 30.586 1.685 1.00 23.10 H new ATOM 0 HA PHE A 37 0.002 32.971 1.049 1.00 11.12 H new ATOM 0 HB2 PHE A 37 1.733 31.948 2.488 1.00 22.03 H new ATOM 0 HB3 PHE A 37 0.153 31.916 3.245 1.00 22.03 H new ATOM 0 HD1 PHE A 37 2.719 29.856 1.573 1.00 1.14 H new ATOM 0 HD2 PHE A 37 -0.962 29.833 3.718 1.00 4.33 H new ATOM 0 HE1 PHE A 37 2.923 27.429 1.892 1.00 24.12 H new ATOM 0 HE2 PHE A 37 -0.759 27.406 4.041 1.00 63.12 H new ATOM 0 HZ PHE A 37 1.182 26.199 3.125 1.00 45.15 H new ATOM 559 N ASN A 38 0.562 30.347 -0.717 1.00 22.03 N ATOM 560 CA ASN A 38 1.312 29.803 -1.844 1.00 73.21 C ATOM 561 C ASN A 38 0.405 29.601 -3.054 1.00 65.12 C ATOM 562 O ASN A 38 0.742 28.862 -3.978 1.00 33.34 O ATOM 563 CB ASN A 38 1.965 28.475 -1.455 1.00 74.54 C ATOM 564 CG ASN A 38 0.944 27.391 -1.166 1.00 31.23 C ATOM 565 OD1 ASN A 38 0.498 27.229 -0.030 1.00 32.13 O ATOM 566 ND2 ASN A 38 0.570 26.642 -2.197 1.00 70.32 N ATOM 0 H ASN A 38 -0.288 29.832 -0.488 1.00 22.03 H new ATOM 0 HA ASN A 38 2.090 30.519 -2.110 1.00 73.21 H new ATOM 0 HB2 ASN A 38 2.622 28.146 -2.261 1.00 74.54 H new ATOM 0 HB3 ASN A 38 2.591 28.625 -0.575 1.00 74.54 H new ATOM 0 HD21 ASN A 38 -0.114 25.897 -2.064 1.00 70.32 H new ATOM 0 HD22 ASN A 38 0.966 26.812 -3.121 1.00 70.32 H new ATOM 573 N ASN A 39 -0.747 30.265 -3.041 1.00 74.22 N ATOM 574 CA ASN A 39 -1.703 30.158 -4.138 1.00 43.44 C ATOM 575 C ASN A 39 -2.168 28.716 -4.315 1.00 54.22 C ATOM 576 O ASN A 39 -2.668 28.341 -5.376 1.00 61.41 O ATOM 577 CB ASN A 39 -1.077 30.668 -5.438 1.00 4.25 C ATOM 578 CG ASN A 39 -2.111 31.231 -6.394 1.00 33.23 C ATOM 579 OD1 ASN A 39 -3.291 31.335 -6.060 1.00 13.05 O ATOM 580 ND2 ASN A 39 -1.670 31.597 -7.593 1.00 32.44 N ATOM 0 H ASN A 39 -1.041 30.882 -2.284 1.00 74.22 H new ATOM 0 HA ASN A 39 -2.570 30.773 -3.894 1.00 43.44 H new ATOM 0 HB2 ASN A 39 -0.342 31.439 -5.206 1.00 4.25 H new ATOM 0 HB3 ASN A 39 -0.541 29.853 -5.925 1.00 4.25 H new ATOM 0 HD21 ASN A 39 -2.319 31.982 -8.279 1.00 32.44 H new ATOM 0 HD22 ASN A 39 -0.683 31.493 -7.827 1.00 32.44 H new ATOM 587 N TRP A 40 -2.002 27.914 -3.270 1.00 11.01 N ATOM 588 CA TRP A 40 -2.406 26.514 -3.311 1.00 32.51 C ATOM 589 C TRP A 40 -1.826 25.814 -4.535 1.00 23.40 C ATOM 590 O TRP A 40 -2.417 24.873 -5.063 1.00 14.41 O ATOM 591 CB TRP A 40 -3.932 26.401 -3.320 1.00 1.54 C ATOM 592 CG TRP A 40 -4.595 27.244 -2.273 1.00 50.23 C ATOM 593 CD1 TRP A 40 -4.801 28.593 -2.316 1.00 31.41 C ATOM 594 CD2 TRP A 40 -5.138 26.792 -1.027 1.00 14.41 C ATOM 595 NE1 TRP A 40 -5.439 29.007 -1.172 1.00 60.15 N ATOM 596 CE2 TRP A 40 -5.659 27.922 -0.366 1.00 20.21 C ATOM 597 CE3 TRP A 40 -5.237 25.543 -0.408 1.00 13.14 C ATOM 598 CZ2 TRP A 40 -6.266 27.838 0.884 1.00 10.52 C ATOM 599 CZ3 TRP A 40 -5.841 25.461 0.833 1.00 75.02 C ATOM 600 CH2 TRP A 40 -6.349 26.602 1.468 1.00 71.30 C ATOM 0 H TRP A 40 -1.591 28.209 -2.384 1.00 11.01 H new ATOM 0 HA TRP A 40 -2.017 26.025 -2.418 1.00 32.51 H new ATOM 0 HB2 TRP A 40 -4.305 26.693 -4.302 1.00 1.54 H new ATOM 0 HB3 TRP A 40 -4.213 25.359 -3.169 1.00 1.54 H new ATOM 0 HD1 TRP A 40 -4.506 29.239 -3.129 1.00 31.41 H new ATOM 0 HE1 TRP A 40 -5.706 29.968 -0.957 1.00 60.15 H new ATOM 0 HE3 TRP A 40 -4.849 24.658 -0.890 1.00 13.14 H new ATOM 0 HZ2 TRP A 40 -6.658 28.716 1.376 1.00 10.52 H new ATOM 0 HZ3 TRP A 40 -5.923 24.501 1.321 1.00 75.02 H new ATOM 0 HH2 TRP A 40 -6.815 26.505 2.437 1.00 71.30 H new ATOM 611 N SER A 41 -0.663 26.280 -4.982 1.00 74.51 N ATOM 612 CA SER A 41 -0.005 25.701 -6.146 1.00 24.05 C ATOM 613 C SER A 41 0.799 24.464 -5.757 1.00 42.45 C ATOM 614 O SER A 41 0.722 23.426 -6.414 1.00 72.12 O ATOM 615 CB SER A 41 0.913 26.734 -6.806 1.00 64.43 C ATOM 616 OG SER A 41 2.125 26.871 -6.085 1.00 75.12 O ATOM 0 H SER A 41 -0.158 27.057 -4.555 1.00 74.51 H new ATOM 0 HA SER A 41 -0.775 25.403 -6.857 1.00 24.05 H new ATOM 0 HB2 SER A 41 1.128 26.432 -7.831 1.00 64.43 H new ATOM 0 HB3 SER A 41 0.405 27.697 -6.857 1.00 64.43 H new ATOM 0 HG SER A 41 1.987 27.474 -5.325 1.00 75.12 H new ATOM 622 N THR A 42 1.572 24.583 -4.682 1.00 73.54 N ATOM 623 CA THR A 42 2.392 23.477 -4.205 1.00 45.04 C ATOM 624 C THR A 42 2.146 23.211 -2.723 1.00 34.20 C ATOM 625 O THR A 42 1.597 24.053 -2.013 1.00 34.44 O ATOM 626 CB THR A 42 3.892 23.753 -4.423 1.00 1.10 C ATOM 627 OG1 THR A 42 4.662 22.611 -4.036 1.00 15.30 O ATOM 628 CG2 THR A 42 4.340 24.968 -3.624 1.00 52.41 C ATOM 0 H THR A 42 1.647 25.434 -4.125 1.00 73.54 H new ATOM 0 HA THR A 42 2.105 22.599 -4.783 1.00 45.04 H new ATOM 0 HB THR A 42 4.051 23.955 -5.482 1.00 1.10 H new ATOM 0 HG1 THR A 42 5.614 22.794 -4.179 1.00 15.30 H new ATOM 0 HG21 THR A 42 5.402 25.143 -3.794 1.00 52.41 H new ATOM 0 HG22 THR A 42 3.772 25.842 -3.942 1.00 52.41 H new ATOM 0 HG23 THR A 42 4.167 24.790 -2.563 1.00 52.41 H new ATOM 636 N LYS A 43 2.558 22.034 -2.262 1.00 53.21 N ATOM 637 CA LYS A 43 2.385 21.656 -0.865 1.00 62.12 C ATOM 638 C LYS A 43 3.735 21.486 -0.177 1.00 0.51 C ATOM 639 O LYS A 43 4.448 20.512 -0.420 1.00 42.43 O ATOM 640 CB LYS A 43 1.581 20.358 -0.762 1.00 42.01 C ATOM 641 CG LYS A 43 2.028 19.286 -1.740 1.00 13.53 C ATOM 642 CD LYS A 43 1.221 18.009 -1.576 1.00 24.00 C ATOM 643 CE LYS A 43 2.122 16.786 -1.497 1.00 21.13 C ATOM 644 NZ LYS A 43 2.297 16.139 -2.826 1.00 63.23 N1+ ATOM 0 H LYS A 43 3.014 21.326 -2.837 1.00 53.21 H new ATOM 0 HA LYS A 43 1.839 22.455 -0.363 1.00 62.12 H new ATOM 0 HB2 LYS A 43 1.663 19.969 0.253 1.00 42.01 H new ATOM 0 HB3 LYS A 43 0.528 20.578 -0.934 1.00 42.01 H new ATOM 0 HG2 LYS A 43 1.922 19.656 -2.760 1.00 13.53 H new ATOM 0 HG3 LYS A 43 3.086 19.071 -1.587 1.00 13.53 H new ATOM 0 HD2 LYS A 43 0.614 18.074 -0.673 1.00 24.00 H new ATOM 0 HD3 LYS A 43 0.533 17.902 -2.415 1.00 24.00 H new ATOM 0 HE2 LYS A 43 3.096 17.077 -1.104 1.00 21.13 H new ATOM 0 HE3 LYS A 43 1.698 16.067 -0.796 1.00 21.13 H new ATOM 0 HZ1 LYS A 43 2.917 15.310 -2.729 1.00 63.23 H new ATOM 0 HZ2 LYS A 43 1.371 15.838 -3.190 1.00 63.23 H new ATOM 0 HZ3 LYS A 43 2.726 16.817 -3.488 1.00 63.23 H new ATOM 658 N ILE A 44 4.080 22.439 0.684 1.00 50.11 N ATOM 659 CA ILE A 44 5.344 22.391 1.408 1.00 75.21 C ATOM 660 C ILE A 44 5.376 21.218 2.381 1.00 20.24 C ATOM 661 O ILE A 44 4.444 20.992 3.153 1.00 14.21 O ATOM 662 CB ILE A 44 5.595 23.696 2.189 1.00 5.22 C ATOM 663 CG1 ILE A 44 6.075 24.798 1.241 1.00 22.10 C ATOM 664 CG2 ILE A 44 6.609 23.464 3.297 1.00 1.53 C ATOM 665 CD1 ILE A 44 4.948 25.533 0.549 1.00 74.32 C ATOM 0 H ILE A 44 3.502 23.252 0.896 1.00 50.11 H new ATOM 0 HA ILE A 44 6.130 22.265 0.663 1.00 75.21 H new ATOM 0 HB ILE A 44 4.658 24.016 2.644 1.00 5.22 H new ATOM 0 HG12 ILE A 44 6.674 25.514 1.803 1.00 22.10 H new ATOM 0 HG13 ILE A 44 6.728 24.359 0.487 1.00 22.10 H new ATOM 0 HG21 ILE A 44 6.775 24.395 3.839 1.00 1.53 H new ATOM 0 HG22 ILE A 44 6.231 22.707 3.984 1.00 1.53 H new ATOM 0 HG23 ILE A 44 7.550 23.123 2.864 1.00 1.53 H new ATOM 0 HD11 ILE A 44 5.362 26.299 -0.107 1.00 74.32 H new ATOM 0 HD12 ILE A 44 4.362 24.828 -0.041 1.00 74.32 H new ATOM 0 HD13 ILE A 44 4.307 26.002 1.296 1.00 74.32 H new ATOM 677 N PRO A 45 6.476 20.450 2.345 1.00 42.30 N ATOM 678 CA PRO A 45 6.659 19.287 3.219 1.00 74.53 C ATOM 679 C PRO A 45 6.863 19.683 4.677 1.00 40.33 C ATOM 680 O PRO A 45 7.672 20.560 4.985 1.00 40.12 O ATOM 681 CB PRO A 45 7.920 18.622 2.664 1.00 11.42 C ATOM 682 CG PRO A 45 8.668 19.724 1.998 1.00 55.22 C ATOM 683 CD PRO A 45 7.627 20.660 1.451 1.00 3.34 C ATOM 0 HA PRO A 45 5.784 18.638 3.222 1.00 74.53 H new ATOM 0 HB2 PRO A 45 8.510 18.167 3.459 1.00 11.42 H new ATOM 0 HB3 PRO A 45 7.672 17.829 1.958 1.00 11.42 H new ATOM 0 HG2 PRO A 45 9.320 20.236 2.706 1.00 55.22 H new ATOM 0 HG3 PRO A 45 9.303 19.338 1.201 1.00 55.22 H new ATOM 0 HD2 PRO A 45 7.967 21.695 1.471 1.00 3.34 H new ATOM 0 HD3 PRO A 45 7.380 20.425 0.416 1.00 3.34 H new ATOM 691 N LEU A 46 6.125 19.034 5.571 1.00 54.51 N ATOM 692 CA LEU A 46 6.225 19.318 6.998 1.00 11.22 C ATOM 693 C LEU A 46 7.439 18.624 7.608 1.00 63.13 C ATOM 694 O LEU A 46 7.459 17.401 7.753 1.00 34.03 O ATOM 695 CB LEU A 46 4.952 18.870 7.718 1.00 1.32 C ATOM 696 CG LEU A 46 4.071 19.986 8.281 1.00 64.55 C ATOM 697 CD1 LEU A 46 3.428 20.778 7.153 1.00 13.04 C ATOM 698 CD2 LEU A 46 3.008 19.412 9.206 1.00 1.43 C ATOM 0 H LEU A 46 5.450 18.307 5.332 1.00 54.51 H new ATOM 0 HA LEU A 46 6.345 20.394 7.121 1.00 11.22 H new ATOM 0 HB2 LEU A 46 4.355 18.278 7.024 1.00 1.32 H new ATOM 0 HB3 LEU A 46 5.235 18.210 8.538 1.00 1.32 H new ATOM 0 HG LEU A 46 4.700 20.662 8.860 1.00 64.55 H new ATOM 0 HD11 LEU A 46 2.805 21.568 7.572 1.00 13.04 H new ATOM 0 HD12 LEU A 46 4.205 21.221 6.530 1.00 13.04 H new ATOM 0 HD13 LEU A 46 2.812 20.113 6.547 1.00 13.04 H new ATOM 0 HD21 LEU A 46 2.391 20.221 9.597 1.00 1.43 H new ATOM 0 HD22 LEU A 46 2.382 18.713 8.651 1.00 1.43 H new ATOM 0 HD23 LEU A 46 3.489 18.890 10.033 1.00 1.43 H new ATOM 710 N ILE A 47 8.447 19.412 7.964 1.00 41.44 N ATOM 711 CA ILE A 47 9.664 18.873 8.561 1.00 1.41 C ATOM 712 C ILE A 47 9.341 17.982 9.755 1.00 65.02 C ATOM 713 O ILE A 47 8.817 18.447 10.767 1.00 61.11 O ATOM 714 CB ILE A 47 10.613 19.997 9.014 1.00 11.35 C ATOM 715 CG1 ILE A 47 10.918 20.939 7.847 1.00 2.10 C ATOM 716 CG2 ILE A 47 11.899 19.409 9.576 1.00 15.21 C ATOM 717 CD1 ILE A 47 11.530 20.242 6.652 1.00 52.21 C ATOM 0 H ILE A 47 8.446 20.426 7.850 1.00 41.44 H new ATOM 0 HA ILE A 47 10.159 18.280 7.792 1.00 1.41 H new ATOM 0 HB ILE A 47 10.123 20.571 9.801 1.00 11.35 H new ATOM 0 HG12 ILE A 47 9.996 21.431 7.537 1.00 2.10 H new ATOM 0 HG13 ILE A 47 11.597 21.720 8.189 1.00 2.10 H new ATOM 0 HG21 ILE A 47 12.560 20.216 9.892 1.00 15.21 H new ATOM 0 HG22 ILE A 47 11.666 18.775 10.431 1.00 15.21 H new ATOM 0 HG23 ILE A 47 12.394 18.815 8.808 1.00 15.21 H new ATOM 0 HD11 ILE A 47 11.719 20.970 5.864 1.00 52.21 H new ATOM 0 HD12 ILE A 47 12.469 19.773 6.946 1.00 52.21 H new ATOM 0 HD13 ILE A 47 10.843 19.480 6.284 1.00 52.21 H new ATOM 729 N LYS A 48 9.659 16.698 9.632 1.00 55.44 N ATOM 730 CA LYS A 48 9.406 15.740 10.702 1.00 2.01 C ATOM 731 C LYS A 48 10.410 15.916 11.838 1.00 4.04 C ATOM 732 O LYS A 48 11.621 15.849 11.624 1.00 74.51 O ATOM 733 CB LYS A 48 9.477 14.310 10.162 1.00 32.12 C ATOM 734 CG LYS A 48 8.936 13.268 11.126 1.00 21.33 C ATOM 735 CD LYS A 48 8.816 11.906 10.465 1.00 65.24 C ATOM 736 CE LYS A 48 10.167 11.396 9.988 1.00 55.25 C ATOM 737 NZ LYS A 48 10.402 9.983 10.396 1.00 34.55 N1+ ATOM 0 H LYS A 48 10.093 16.296 8.801 1.00 55.44 H new ATOM 0 HA LYS A 48 8.405 15.925 11.092 1.00 2.01 H new ATOM 0 HB2 LYS A 48 8.917 14.255 9.229 1.00 32.12 H new ATOM 0 HB3 LYS A 48 10.514 14.071 9.926 1.00 32.12 H new ATOM 0 HG2 LYS A 48 9.594 13.196 11.992 1.00 21.33 H new ATOM 0 HG3 LYS A 48 7.959 13.583 11.493 1.00 21.33 H new ATOM 0 HD2 LYS A 48 8.386 11.195 11.170 1.00 65.24 H new ATOM 0 HD3 LYS A 48 8.131 11.970 9.619 1.00 65.24 H new ATOM 0 HE2 LYS A 48 10.222 11.474 8.902 1.00 55.25 H new ATOM 0 HE3 LYS A 48 10.957 12.027 10.394 1.00 55.25 H new ATOM 0 HZ1 LYS A 48 11.333 9.673 10.052 1.00 34.55 H new ATOM 0 HZ2 LYS A 48 10.375 9.912 11.433 1.00 34.55 H new ATOM 0 HZ3 LYS A 48 9.662 9.376 9.988 1.00 34.55 H new ATOM 751 N SER A 49 9.900 16.140 13.043 1.00 14.13 N ATOM 752 CA SER A 49 10.751 16.328 14.212 1.00 33.35 C ATOM 753 C SER A 49 10.797 15.060 15.060 1.00 3.20 C ATOM 754 O SER A 49 10.218 14.035 14.698 1.00 64.42 O ATOM 755 CB SER A 49 10.247 17.501 15.055 1.00 31.23 C ATOM 756 OG SER A 49 11.308 18.110 15.768 1.00 51.25 O ATOM 0 H SER A 49 8.900 16.196 13.237 1.00 14.13 H new ATOM 0 HA SER A 49 11.760 16.549 13.864 1.00 33.35 H new ATOM 0 HB2 SER A 49 9.769 18.238 14.409 1.00 31.23 H new ATOM 0 HB3 SER A 49 9.489 17.150 15.755 1.00 31.23 H new ATOM 0 HG SER A 49 10.960 18.858 16.297 1.00 51.25 H new ATOM 762 N HIS A 50 11.490 15.138 16.192 1.00 0.54 N ATOM 763 CA HIS A 50 11.611 13.998 17.093 1.00 22.21 C ATOM 764 C HIS A 50 10.311 13.767 17.859 1.00 65.22 C ATOM 765 O HIS A 50 10.051 12.667 18.341 1.00 14.41 O ATOM 766 CB HIS A 50 12.762 14.218 18.075 1.00 63.12 C ATOM 767 CG HIS A 50 14.116 14.126 17.441 1.00 21.12 C ATOM 768 ND1 HIS A 50 14.669 15.147 16.696 1.00 33.13 N ATOM 769 CD2 HIS A 50 15.031 13.128 17.447 1.00 30.03 C ATOM 770 CE1 HIS A 50 15.864 14.779 16.268 1.00 63.42 C ATOM 771 NE2 HIS A 50 16.107 13.559 16.711 1.00 44.14 N ATOM 0 H HIS A 50 11.976 15.978 16.507 1.00 0.54 H new ATOM 0 HA HIS A 50 11.819 13.113 16.492 1.00 22.21 H new ATOM 0 HB2 HIS A 50 12.652 15.199 18.537 1.00 63.12 H new ATOM 0 HB3 HIS A 50 12.693 13.480 18.874 1.00 63.12 H new ATOM 0 HD2 HIS A 50 14.933 12.172 17.939 1.00 30.03 H new ATOM 0 HE1 HIS A 50 16.529 15.375 15.660 1.00 63.42 H new ATOM 0 HE2 HIS A 50 16.957 13.023 16.535 1.00 44.14 H new ATOM 779 N ASN A 51 9.500 14.815 17.964 1.00 43.20 N ATOM 780 CA ASN A 51 8.228 14.728 18.672 1.00 41.32 C ATOM 781 C ASN A 51 7.065 14.629 17.689 1.00 42.34 C ATOM 782 O ASN A 51 6.254 13.706 17.763 1.00 61.52 O ATOM 783 CB ASN A 51 8.041 15.945 19.580 1.00 24.42 C ATOM 784 CG ASN A 51 9.337 16.382 20.235 1.00 75.52 C ATOM 785 OD1 ASN A 51 9.710 15.878 21.294 1.00 63.21 O ATOM 786 ND2 ASN A 51 10.029 17.325 19.607 1.00 63.41 N ATOM 0 H ASN A 51 9.701 15.733 17.568 1.00 43.20 H new ATOM 0 HA ASN A 51 8.242 13.826 19.284 1.00 41.32 H new ATOM 0 HB2 ASN A 51 7.635 16.771 18.996 1.00 24.42 H new ATOM 0 HB3 ASN A 51 7.308 15.710 20.352 1.00 24.42 H new ATOM 0 HD21 ASN A 51 10.908 17.660 20.001 1.00 63.41 H new ATOM 0 HD22 ASN A 51 9.681 17.715 18.731 1.00 63.41 H new ATOM 793 N ASP A 52 6.992 15.585 16.769 1.00 25.42 N ATOM 794 CA ASP A 52 5.930 15.604 15.770 1.00 63.14 C ATOM 795 C ASP A 52 6.381 16.341 14.513 1.00 70.31 C ATOM 796 O ASP A 52 7.553 16.684 14.368 1.00 74.35 O ATOM 797 CB ASP A 52 4.674 16.265 16.342 1.00 51.42 C ATOM 798 CG ASP A 52 4.249 15.652 17.662 1.00 61.33 C ATOM 799 OD1 ASP A 52 3.702 14.530 17.646 1.00 71.33 O1- ATOM 800 OD2 ASP A 52 4.459 16.296 18.711 1.00 34.01 O ATOM 0 H ASP A 52 7.655 16.356 16.695 1.00 25.42 H new ATOM 0 HA ASP A 52 5.698 14.573 15.502 1.00 63.14 H new ATOM 0 HB2 ASP A 52 4.859 17.330 16.482 1.00 51.42 H new ATOM 0 HB3 ASP A 52 3.860 16.174 15.623 1.00 51.42 H new ATOM 805 N PHE A 53 5.440 16.582 13.605 1.00 51.12 N ATOM 806 CA PHE A 53 5.740 17.277 12.359 1.00 12.33 C ATOM 807 C PHE A 53 5.625 18.787 12.537 1.00 22.10 C ATOM 808 O PHE A 53 4.721 19.277 13.215 1.00 32.20 O ATOM 809 CB PHE A 53 4.795 16.809 11.249 1.00 64.40 C ATOM 810 CG PHE A 53 5.066 15.407 10.783 1.00 61.34 C ATOM 811 CD1 PHE A 53 6.052 15.155 9.842 1.00 54.43 C ATOM 812 CD2 PHE A 53 4.336 14.343 11.285 1.00 54.52 C ATOM 813 CE1 PHE A 53 6.302 13.865 9.411 1.00 14.33 C ATOM 814 CE2 PHE A 53 4.582 13.051 10.858 1.00 21.11 C ATOM 815 CZ PHE A 53 5.568 12.813 9.920 1.00 53.35 C ATOM 0 H PHE A 53 4.464 16.306 13.709 1.00 51.12 H new ATOM 0 HA PHE A 53 6.766 17.040 12.078 1.00 12.33 H new ATOM 0 HB2 PHE A 53 3.767 16.872 11.607 1.00 64.40 H new ATOM 0 HB3 PHE A 53 4.879 17.488 10.401 1.00 64.40 H new ATOM 0 HD1 PHE A 53 6.631 15.974 9.441 1.00 54.43 H new ATOM 0 HD2 PHE A 53 3.565 14.524 12.019 1.00 54.52 H new ATOM 0 HE1 PHE A 53 7.072 13.681 8.676 1.00 14.33 H new ATOM 0 HE2 PHE A 53 4.005 12.230 11.257 1.00 21.11 H new ATOM 0 HZ PHE A 53 5.764 11.805 9.586 1.00 53.35 H new ATOM 825 N VAL A 54 6.547 19.522 11.924 1.00 33.42 N ATOM 826 CA VAL A 54 6.550 20.977 12.013 1.00 40.41 C ATOM 827 C VAL A 54 6.976 21.608 10.692 1.00 3.45 C ATOM 828 O VAL A 54 7.905 21.137 10.038 1.00 74.24 O ATOM 829 CB VAL A 54 7.490 21.468 13.130 1.00 62.34 C ATOM 830 CG1 VAL A 54 7.068 20.893 14.474 1.00 24.21 C ATOM 831 CG2 VAL A 54 8.932 21.103 12.814 1.00 4.44 C ATOM 0 H VAL A 54 7.302 19.133 11.360 1.00 33.42 H new ATOM 0 HA VAL A 54 5.530 21.282 12.245 1.00 40.41 H new ATOM 0 HB VAL A 54 7.420 22.554 13.188 1.00 62.34 H new ATOM 0 HG11 VAL A 54 7.744 21.251 15.251 1.00 24.21 H new ATOM 0 HG12 VAL A 54 6.051 21.211 14.703 1.00 24.21 H new ATOM 0 HG13 VAL A 54 7.107 19.804 14.432 1.00 24.21 H new ATOM 0 HG21 VAL A 54 9.581 21.458 13.614 1.00 4.44 H new ATOM 0 HG22 VAL A 54 9.023 20.020 12.727 1.00 4.44 H new ATOM 0 HG23 VAL A 54 9.228 21.569 11.874 1.00 4.44 H new ATOM 841 N ALA A 55 6.289 22.679 10.306 1.00 33.42 N ATOM 842 CA ALA A 55 6.597 23.376 9.064 1.00 64.34 C ATOM 843 C ALA A 55 6.678 24.883 9.287 1.00 43.12 C ATOM 844 O ALA A 55 5.804 25.474 9.921 1.00 20.33 O ATOM 845 CB ALA A 55 5.555 23.053 8.004 1.00 75.11 C ATOM 0 H ALA A 55 5.516 23.082 10.836 1.00 33.42 H new ATOM 0 HA ALA A 55 7.571 23.033 8.716 1.00 64.34 H new ATOM 0 HB1 ALA A 55 5.798 23.581 7.082 1.00 75.11 H new ATOM 0 HB2 ALA A 55 5.548 21.979 7.816 1.00 75.11 H new ATOM 0 HB3 ALA A 55 4.571 23.367 8.353 1.00 75.11 H new ATOM 851 N ILE A 56 7.732 25.499 8.761 1.00 4.32 N ATOM 852 CA ILE A 56 7.926 26.936 8.902 1.00 62.15 C ATOM 853 C ILE A 56 7.668 27.658 7.584 1.00 1.24 C ATOM 854 O ILE A 56 8.518 27.666 6.692 1.00 41.11 O ATOM 855 CB ILE A 56 9.350 27.268 9.387 1.00 74.20 C ATOM 856 CG1 ILE A 56 9.635 26.567 10.717 1.00 12.24 C ATOM 857 CG2 ILE A 56 9.526 28.773 9.526 1.00 20.32 C ATOM 858 CD1 ILE A 56 10.185 25.167 10.557 1.00 22.53 C ATOM 0 H ILE A 56 8.465 25.024 8.233 1.00 4.32 H new ATOM 0 HA ILE A 56 7.209 27.279 9.648 1.00 62.15 H new ATOM 0 HB ILE A 56 10.064 26.906 8.647 1.00 74.20 H new ATOM 0 HG12 ILE A 56 10.345 27.165 11.288 1.00 12.24 H new ATOM 0 HG13 ILE A 56 8.715 26.523 11.299 1.00 12.24 H new ATOM 0 HG21 ILE A 56 10.537 28.991 9.869 1.00 20.32 H new ATOM 0 HG22 ILE A 56 9.360 29.249 8.560 1.00 20.32 H new ATOM 0 HG23 ILE A 56 8.807 29.158 10.249 1.00 20.32 H new ATOM 0 HD11 ILE A 56 10.363 24.732 11.540 1.00 22.53 H new ATOM 0 HD12 ILE A 56 9.466 24.554 10.013 1.00 22.53 H new ATOM 0 HD13 ILE A 56 11.122 25.206 10.002 1.00 22.53 H new ATOM 870 N LEU A 57 6.492 28.265 7.468 1.00 53.34 N ATOM 871 CA LEU A 57 6.123 28.992 6.259 1.00 41.32 C ATOM 872 C LEU A 57 6.663 30.418 6.295 1.00 4.44 C ATOM 873 O LEU A 57 7.190 30.867 7.312 1.00 25.01 O ATOM 874 CB LEU A 57 4.601 29.014 6.098 1.00 22.14 C ATOM 875 CG LEU A 57 3.917 27.651 5.995 1.00 14.52 C ATOM 876 CD1 LEU A 57 2.408 27.802 6.094 1.00 62.22 C ATOM 877 CD2 LEU A 57 4.302 26.957 4.696 1.00 54.43 C ATOM 0 H LEU A 57 5.778 28.268 8.196 1.00 53.34 H new ATOM 0 HA LEU A 57 6.565 28.478 5.406 1.00 41.32 H new ATOM 0 HB2 LEU A 57 4.174 29.549 6.946 1.00 22.14 H new ATOM 0 HB3 LEU A 57 4.359 29.588 5.204 1.00 22.14 H new ATOM 0 HG LEU A 57 4.255 27.033 6.827 1.00 14.52 H new ATOM 0 HD11 LEU A 57 1.938 26.821 6.019 1.00 62.22 H new ATOM 0 HD12 LEU A 57 2.150 28.255 7.051 1.00 62.22 H new ATOM 0 HD13 LEU A 57 2.052 28.438 5.283 1.00 62.22 H new ATOM 0 HD21 LEU A 57 3.806 25.988 4.640 1.00 54.43 H new ATOM 0 HD22 LEU A 57 3.994 27.572 3.850 1.00 54.43 H new ATOM 0 HD23 LEU A 57 5.382 26.814 4.666 1.00 54.43 H new ATOM 889 N ASP A 58 6.526 31.124 5.178 1.00 22.22 N ATOM 890 CA ASP A 58 6.997 32.501 5.083 1.00 23.10 C ATOM 891 C ASP A 58 5.864 33.435 4.669 1.00 53.11 C ATOM 892 O ASP A 58 5.549 33.561 3.485 1.00 71.11 O ATOM 893 CB ASP A 58 8.148 32.600 4.080 1.00 60.34 C ATOM 894 CG ASP A 58 7.806 31.976 2.741 1.00 4.33 C ATOM 895 OD1 ASP A 58 7.813 30.731 2.649 1.00 64.40 O1- ATOM 896 OD2 ASP A 58 7.531 32.732 1.786 1.00 31.41 O ATOM 0 H ASP A 58 6.093 30.766 4.327 1.00 22.22 H new ATOM 0 HA ASP A 58 7.355 32.806 6.067 1.00 23.10 H new ATOM 0 HB2 ASP A 58 8.408 33.648 3.933 1.00 60.34 H new ATOM 0 HB3 ASP A 58 9.029 32.108 4.492 1.00 60.34 H new ATOM 901 N LEU A 59 5.256 34.089 5.652 1.00 12.41 N ATOM 902 CA LEU A 59 4.155 35.012 5.391 1.00 61.11 C ATOM 903 C LEU A 59 4.498 36.417 5.877 1.00 53.10 C ATOM 904 O LEU A 59 5.314 36.607 6.779 1.00 43.12 O ATOM 905 CB LEU A 59 2.878 34.521 6.073 1.00 61.24 C ATOM 906 CG LEU A 59 2.720 33.004 6.188 1.00 41.24 C ATOM 907 CD1 LEU A 59 1.413 32.654 6.883 1.00 32.21 C ATOM 908 CD2 LEU A 59 2.784 32.355 4.813 1.00 1.12 C ATOM 0 H LEU A 59 5.506 33.998 6.637 1.00 12.41 H new ATOM 0 HA LEU A 59 3.991 35.049 4.314 1.00 61.11 H new ATOM 0 HB2 LEU A 59 2.838 34.948 7.075 1.00 61.24 H new ATOM 0 HB3 LEU A 59 2.022 34.915 5.525 1.00 61.24 H new ATOM 0 HG LEU A 59 3.543 32.618 6.789 1.00 41.24 H new ATOM 0 HD11 LEU A 59 1.318 31.571 6.956 1.00 32.21 H new ATOM 0 HD12 LEU A 59 1.406 33.087 7.883 1.00 32.21 H new ATOM 0 HD13 LEU A 59 0.577 33.054 6.309 1.00 32.21 H new ATOM 0 HD21 LEU A 59 2.670 31.276 4.914 1.00 1.12 H new ATOM 0 HD22 LEU A 59 1.982 32.748 4.188 1.00 1.12 H new ATOM 0 HD23 LEU A 59 3.746 32.576 4.351 1.00 1.12 H new ATOM 920 N PRO A 60 3.856 37.427 5.270 1.00 72.34 N ATOM 921 CA PRO A 60 4.073 38.831 5.627 1.00 43.15 C ATOM 922 C PRO A 60 3.511 39.174 7.002 1.00 50.24 C ATOM 923 O PRO A 60 4.226 39.126 8.003 1.00 44.12 O ATOM 924 CB PRO A 60 3.318 39.595 4.536 1.00 2.43 C ATOM 925 CG PRO A 60 2.270 38.647 4.066 1.00 40.55 C ATOM 926 CD PRO A 60 2.869 37.273 4.187 1.00 50.31 C ATOM 0 HA PRO A 60 5.133 39.077 5.684 1.00 43.15 H new ATOM 0 HB2 PRO A 60 2.876 40.511 4.928 1.00 2.43 H new ATOM 0 HB3 PRO A 60 3.983 39.885 3.723 1.00 2.43 H new ATOM 0 HG2 PRO A 60 1.367 38.733 4.670 1.00 40.55 H new ATOM 0 HG3 PRO A 60 1.986 38.859 3.035 1.00 40.55 H new ATOM 0 HD2 PRO A 60 2.115 36.526 4.434 1.00 50.31 H new ATOM 0 HD3 PRO A 60 3.339 36.956 3.256 1.00 50.31 H new ATOM 934 N GLU A 61 2.229 39.518 7.044 1.00 62.44 N ATOM 935 CA GLU A 61 1.572 39.869 8.298 1.00 50.50 C ATOM 936 C GLU A 61 0.081 40.109 8.084 1.00 12.05 C ATOM 937 O GLU A 61 -0.314 40.932 7.258 1.00 32.42 O ATOM 938 CB GLU A 61 2.219 41.115 8.907 1.00 73.34 C ATOM 939 CG GLU A 61 3.125 40.815 10.088 1.00 52.41 C ATOM 940 CD GLU A 61 4.566 41.215 9.835 1.00 72.55 C ATOM 941 OE1 GLU A 61 4.788 42.291 9.241 1.00 35.02 O1- ATOM 942 OE2 GLU A 61 5.472 40.452 10.232 1.00 43.41 O ATOM 0 H GLU A 61 1.624 39.561 6.224 1.00 62.44 H new ATOM 0 HA GLU A 61 1.691 39.033 8.987 1.00 50.50 H new ATOM 0 HB2 GLU A 61 2.797 41.627 8.137 1.00 73.34 H new ATOM 0 HB3 GLU A 61 1.435 41.802 9.227 1.00 73.34 H new ATOM 0 HG2 GLU A 61 2.755 41.341 10.968 1.00 52.41 H new ATOM 0 HG3 GLU A 61 3.082 39.749 10.313 1.00 52.41 H new ATOM 949 N GLY A 62 -0.743 39.382 8.832 1.00 54.52 N ATOM 950 CA GLY A 62 -2.182 39.530 8.709 1.00 52.00 C ATOM 951 C GLY A 62 -2.917 38.215 8.884 1.00 61.55 C ATOM 952 O GLY A 62 -2.786 37.557 9.915 1.00 51.12 O ATOM 0 H GLY A 62 -0.440 38.693 9.521 1.00 54.52 H new ATOM 0 HA2 GLY A 62 -2.536 40.243 9.454 1.00 52.00 H new ATOM 0 HA3 GLY A 62 -2.419 39.948 7.731 1.00 52.00 H new ATOM 956 N GLU A 63 -3.694 37.835 7.874 1.00 53.44 N ATOM 957 CA GLU A 63 -4.454 36.592 7.924 1.00 52.42 C ATOM 958 C GLU A 63 -4.272 35.791 6.638 1.00 71.45 C ATOM 959 O GLU A 63 -4.374 36.362 5.553 1.00 35.41 O ATOM 960 CB GLU A 63 -5.939 36.885 8.149 1.00 13.45 C ATOM 961 CG GLU A 63 -6.842 35.692 7.881 1.00 1.11 C ATOM 962 CD GLU A 63 -8.259 35.912 8.373 1.00 63.01 C ATOM 963 OE1 GLU A 63 -8.438 36.675 9.345 1.00 35.44 O ATOM 964 OE2 GLU A 63 -9.190 35.321 7.786 1.00 62.20 O1- ATOM 0 H GLU A 63 -3.813 38.369 7.013 1.00 53.44 H new ATOM 0 HA GLU A 63 -4.077 35.999 8.758 1.00 52.42 H new ATOM 0 HB2 GLU A 63 -6.084 37.216 9.177 1.00 13.45 H new ATOM 0 HB3 GLU A 63 -6.240 37.710 7.503 1.00 13.45 H new ATOM 0 HG2 GLU A 63 -6.860 35.488 6.810 1.00 1.11 H new ATOM 0 HG3 GLU A 63 -6.426 34.809 8.366 1.00 1.11 H new ATOM 971 N HIS A 64 -4.009 34.501 6.785 1.00 3.13 N ATOM 972 CA HIS A 64 -3.814 33.640 5.631 1.00 20.42 C ATOM 973 C HIS A 64 -4.417 32.262 5.912 1.00 42.53 C ATOM 974 O HIS A 64 -4.395 31.758 7.034 1.00 73.42 O ATOM 975 CB HIS A 64 -2.335 33.573 5.245 1.00 3.20 C ATOM 976 CG HIS A 64 -1.597 34.879 5.416 1.00 31.31 C ATOM 977 ND1 HIS A 64 -1.246 35.687 4.349 1.00 32.22 N ATOM 978 CD2 HIS A 64 -1.147 35.508 6.540 1.00 2.30 C ATOM 979 CE1 HIS A 64 -0.613 36.752 4.820 1.00 4.25 C ATOM 980 NE2 HIS A 64 -0.553 36.638 6.179 1.00 51.03 N ATOM 0 H HIS A 64 -3.926 34.031 7.686 1.00 3.13 H new ATOM 0 HA HIS A 64 -4.335 34.058 4.769 1.00 20.42 H new ATOM 0 HB2 HIS A 64 -1.846 32.809 5.850 1.00 3.20 H new ATOM 0 HB3 HIS A 64 -2.255 33.256 4.205 1.00 3.20 H new ATOM 0 HD2 HIS A 64 -1.256 35.147 7.552 1.00 2.30 H new ATOM 0 HE1 HIS A 64 -0.215 37.566 4.232 1.00 4.25 H new ATOM 0 HE2 HIS A 64 -0.122 37.311 6.813 1.00 51.03 H new ATOM 988 N GLN A 65 -4.959 31.660 4.858 1.00 53.30 N ATOM 989 CA GLN A 65 -5.574 30.343 4.964 1.00 30.02 C ATOM 990 C GLN A 65 -4.554 29.243 4.691 1.00 12.33 C ATOM 991 O GLN A 65 -3.519 29.481 4.069 1.00 60.12 O ATOM 992 CB GLN A 65 -6.745 30.224 3.985 1.00 12.55 C ATOM 993 CG GLN A 65 -8.065 30.717 4.553 1.00 10.33 C ATOM 994 CD GLN A 65 -8.626 29.793 5.616 1.00 53.50 C ATOM 995 OE1 GLN A 65 -8.991 30.232 6.707 1.00 5.54 O ATOM 996 NE2 GLN A 65 -8.697 28.505 5.303 1.00 52.31 N ATOM 0 H GLN A 65 -4.984 32.064 3.922 1.00 53.30 H new ATOM 0 HA GLN A 65 -5.946 30.224 5.981 1.00 30.02 H new ATOM 0 HB2 GLN A 65 -6.513 30.791 3.083 1.00 12.55 H new ATOM 0 HB3 GLN A 65 -6.854 29.181 3.687 1.00 12.55 H new ATOM 0 HG2 GLN A 65 -7.924 31.711 4.979 1.00 10.33 H new ATOM 0 HG3 GLN A 65 -8.789 30.816 3.745 1.00 10.33 H new ATOM 0 HE21 GLN A 65 -8.383 28.185 4.387 1.00 52.31 H new ATOM 0 HE22 GLN A 65 -9.065 27.836 5.979 1.00 52.31 H new ATOM 1005 N TYR A 66 -4.853 28.036 5.162 1.00 44.22 N ATOM 1006 CA TYR A 66 -3.961 26.899 4.971 1.00 44.05 C ATOM 1007 C TYR A 66 -4.673 25.588 5.290 1.00 74.13 C ATOM 1008 O TYR A 66 -5.781 25.585 5.828 1.00 55.35 O ATOM 1009 CB TYR A 66 -2.720 27.045 5.853 1.00 51.25 C ATOM 1010 CG TYR A 66 -2.958 26.676 7.301 1.00 25.41 C ATOM 1011 CD1 TYR A 66 -3.737 27.480 8.123 1.00 60.42 C ATOM 1012 CD2 TYR A 66 -2.405 25.524 7.845 1.00 33.23 C ATOM 1013 CE1 TYR A 66 -3.957 27.147 9.446 1.00 74.14 C ATOM 1014 CE2 TYR A 66 -2.619 25.183 9.165 1.00 54.24 C ATOM 1015 CZ TYR A 66 -3.396 25.998 9.963 1.00 3.41 C ATOM 1016 OH TYR A 66 -3.614 25.663 11.279 1.00 4.23 O ATOM 0 H TYR A 66 -5.706 27.821 5.678 1.00 44.22 H new ATOM 0 HA TYR A 66 -3.656 26.881 3.925 1.00 44.05 H new ATOM 0 HB2 TYR A 66 -1.924 26.417 5.453 1.00 51.25 H new ATOM 0 HB3 TYR A 66 -2.368 28.075 5.803 1.00 51.25 H new ATOM 0 HD1 TYR A 66 -4.178 28.380 7.722 1.00 60.42 H new ATOM 0 HD2 TYR A 66 -1.797 24.883 7.224 1.00 33.23 H new ATOM 0 HE1 TYR A 66 -4.565 27.783 10.072 1.00 74.14 H new ATOM 0 HE2 TYR A 66 -2.181 24.283 9.571 1.00 54.24 H new ATOM 0 HH TYR A 66 -3.150 24.825 11.484 1.00 4.23 H new ATOM 1026 N LYS A 67 -4.029 24.476 4.954 1.00 63.21 N ATOM 1027 CA LYS A 67 -4.598 23.157 5.205 1.00 53.24 C ATOM 1028 C LYS A 67 -3.499 22.129 5.457 1.00 15.33 C ATOM 1029 O LYS A 67 -2.312 22.431 5.329 1.00 64.42 O ATOM 1030 CB LYS A 67 -5.460 22.717 4.020 1.00 51.31 C ATOM 1031 CG LYS A 67 -6.888 23.231 4.083 1.00 50.42 C ATOM 1032 CD LYS A 67 -7.693 22.792 2.871 1.00 54.14 C ATOM 1033 CE LYS A 67 -8.069 21.320 2.954 1.00 21.22 C ATOM 1034 NZ LYS A 67 -9.368 21.118 3.653 1.00 73.50 N1+ ATOM 0 H LYS A 67 -3.112 24.462 4.507 1.00 63.21 H new ATOM 0 HA LYS A 67 -5.222 23.222 6.096 1.00 53.24 H new ATOM 0 HB2 LYS A 67 -4.998 23.065 3.096 1.00 51.31 H new ATOM 0 HB3 LYS A 67 -5.476 21.628 3.978 1.00 51.31 H new ATOM 0 HG2 LYS A 67 -7.367 22.865 4.991 1.00 50.42 H new ATOM 0 HG3 LYS A 67 -6.882 24.319 4.142 1.00 50.42 H new ATOM 0 HD2 LYS A 67 -8.597 23.396 2.796 1.00 54.14 H new ATOM 0 HD3 LYS A 67 -7.114 22.970 1.965 1.00 54.14 H new ATOM 0 HE2 LYS A 67 -8.129 20.903 1.949 1.00 21.22 H new ATOM 0 HE3 LYS A 67 -7.285 20.774 3.479 1.00 21.22 H new ATOM 0 HZ1 LYS A 67 -9.933 20.412 3.139 1.00 73.50 H new ATOM 0 HZ2 LYS A 67 -9.193 20.783 4.622 1.00 73.50 H new ATOM 0 HZ3 LYS A 67 -9.888 22.018 3.687 1.00 73.50 H new ATOM 1048 N PHE A 68 -3.902 20.914 5.813 1.00 0.43 N ATOM 1049 CA PHE A 68 -2.950 19.842 6.082 1.00 43.24 C ATOM 1050 C PHE A 68 -3.114 18.705 5.078 1.00 51.11 C ATOM 1051 O PHE A 68 -4.229 18.374 4.675 1.00 1.31 O ATOM 1052 CB PHE A 68 -3.136 19.311 7.505 1.00 73.30 C ATOM 1053 CG PHE A 68 -2.528 20.194 8.558 1.00 43.41 C ATOM 1054 CD1 PHE A 68 -1.161 20.414 8.592 1.00 41.10 C ATOM 1055 CD2 PHE A 68 -3.325 20.805 9.513 1.00 14.15 C ATOM 1056 CE1 PHE A 68 -0.600 21.224 9.560 1.00 25.24 C ATOM 1057 CE2 PHE A 68 -2.770 21.617 10.483 1.00 73.42 C ATOM 1058 CZ PHE A 68 -1.405 21.827 10.507 1.00 11.45 C ATOM 0 H PHE A 68 -4.880 20.647 5.922 1.00 0.43 H new ATOM 0 HA PHE A 68 -1.944 20.250 5.982 1.00 43.24 H new ATOM 0 HB2 PHE A 68 -4.201 19.199 7.706 1.00 73.30 H new ATOM 0 HB3 PHE A 68 -2.693 18.318 7.575 1.00 73.30 H new ATOM 0 HD1 PHE A 68 -0.527 19.947 7.853 1.00 41.10 H new ATOM 0 HD2 PHE A 68 -4.393 20.644 9.499 1.00 14.15 H new ATOM 0 HE1 PHE A 68 0.468 21.386 9.577 1.00 25.24 H new ATOM 0 HE2 PHE A 68 -3.402 22.087 11.222 1.00 73.42 H new ATOM 0 HZ PHE A 68 -0.968 22.461 11.264 1.00 11.45 H new ATOM 1068 N PHE A 69 -1.995 18.111 4.677 1.00 45.12 N ATOM 1069 CA PHE A 69 -2.014 17.012 3.719 1.00 72.31 C ATOM 1070 C PHE A 69 -1.332 15.775 4.297 1.00 34.23 C ATOM 1071 O PHE A 69 -0.107 15.713 4.390 1.00 4.23 O ATOM 1072 CB PHE A 69 -1.321 17.429 2.420 1.00 74.52 C ATOM 1073 CG PHE A 69 -1.903 16.781 1.196 1.00 34.54 C ATOM 1074 CD1 PHE A 69 -3.256 16.882 0.921 1.00 61.42 C ATOM 1075 CD2 PHE A 69 -1.096 16.071 0.322 1.00 34.50 C ATOM 1076 CE1 PHE A 69 -3.796 16.288 -0.205 1.00 54.41 C ATOM 1077 CE2 PHE A 69 -1.628 15.475 -0.805 1.00 50.31 C ATOM 1078 CZ PHE A 69 -2.980 15.582 -1.069 1.00 73.11 C ATOM 0 H PHE A 69 -1.064 18.372 5.001 1.00 45.12 H new ATOM 0 HA PHE A 69 -3.054 16.766 3.506 1.00 72.31 H new ATOM 0 HB2 PHE A 69 -1.386 18.512 2.314 1.00 74.52 H new ATOM 0 HB3 PHE A 69 -0.262 17.178 2.486 1.00 74.52 H new ATOM 0 HD1 PHE A 69 -3.898 17.431 1.594 1.00 61.42 H new ATOM 0 HD2 PHE A 69 -0.039 15.982 0.524 1.00 34.50 H new ATOM 0 HE1 PHE A 69 -4.853 16.375 -0.409 1.00 54.41 H new ATOM 0 HE2 PHE A 69 -0.988 14.926 -1.479 1.00 50.31 H new ATOM 0 HZ PHE A 69 -3.398 15.115 -1.948 1.00 73.11 H new ATOM 1088 N VAL A 70 -2.138 14.791 4.686 1.00 45.13 N ATOM 1089 CA VAL A 70 -1.614 13.555 5.255 1.00 12.31 C ATOM 1090 C VAL A 70 -2.096 12.341 4.468 1.00 74.44 C ATOM 1091 O VAL A 70 -3.295 12.155 4.265 1.00 2.54 O ATOM 1092 CB VAL A 70 -2.031 13.395 6.729 1.00 34.31 C ATOM 1093 CG1 VAL A 70 -1.332 12.197 7.355 1.00 42.23 C ATOM 1094 CG2 VAL A 70 -1.727 14.665 7.508 1.00 33.01 C ATOM 0 H VAL A 70 -3.155 14.826 4.617 1.00 45.13 H new ATOM 0 HA VAL A 70 -0.527 13.615 5.197 1.00 12.31 H new ATOM 0 HB VAL A 70 -3.106 13.219 6.768 1.00 34.31 H new ATOM 0 HG11 VAL A 70 -1.639 12.100 8.396 1.00 42.23 H new ATOM 0 HG12 VAL A 70 -1.603 11.292 6.811 1.00 42.23 H new ATOM 0 HG13 VAL A 70 -0.252 12.340 7.307 1.00 42.23 H new ATOM 0 HG21 VAL A 70 -2.028 14.535 8.548 1.00 33.01 H new ATOM 0 HG22 VAL A 70 -0.658 14.872 7.463 1.00 33.01 H new ATOM 0 HG23 VAL A 70 -2.277 15.499 7.073 1.00 33.01 H new ATOM 1104 N ASP A 71 -1.151 11.516 4.027 1.00 1.00 N ATOM 1105 CA ASP A 71 -1.478 10.318 3.263 1.00 43.14 C ATOM 1106 C ASP A 71 -2.383 10.657 2.082 1.00 50.35 C ATOM 1107 O ASP A 71 -3.293 9.901 1.747 1.00 35.40 O ATOM 1108 CB ASP A 71 -2.158 9.285 4.162 1.00 2.43 C ATOM 1109 CG ASP A 71 -1.186 8.615 5.113 1.00 3.42 C ATOM 1110 OD1 ASP A 71 -0.353 9.330 5.711 1.00 70.50 O ATOM 1111 OD2 ASP A 71 -1.257 7.378 5.261 1.00 33.12 O1- ATOM 0 H ASP A 71 -0.153 11.656 4.186 1.00 1.00 H new ATOM 0 HA ASP A 71 -0.549 9.898 2.877 1.00 43.14 H new ATOM 0 HB2 ASP A 71 -2.947 9.771 4.736 1.00 2.43 H new ATOM 0 HB3 ASP A 71 -2.636 8.527 3.542 1.00 2.43 H new ATOM 1116 N GLY A 72 -2.125 11.801 1.455 1.00 50.22 N ATOM 1117 CA GLY A 72 -2.925 12.220 0.319 1.00 61.42 C ATOM 1118 C GLY A 72 -4.374 12.465 0.689 1.00 44.45 C ATOM 1119 O GLY A 72 -5.271 12.276 -0.132 1.00 1.33 O ATOM 0 H GLY A 72 -1.377 12.444 1.713 1.00 50.22 H new ATOM 0 HA2 GLY A 72 -2.502 13.132 -0.103 1.00 61.42 H new ATOM 0 HA3 GLY A 72 -2.876 11.457 -0.457 1.00 61.42 H new ATOM 1123 N GLN A 73 -4.604 12.886 1.928 1.00 51.05 N ATOM 1124 CA GLN A 73 -5.954 13.155 2.406 1.00 43.53 C ATOM 1125 C GLN A 73 -6.015 14.486 3.147 1.00 15.15 C ATOM 1126 O GLN A 73 -5.049 14.893 3.791 1.00 61.23 O ATOM 1127 CB GLN A 73 -6.428 12.026 3.323 1.00 0.22 C ATOM 1128 CG GLN A 73 -7.013 10.839 2.574 1.00 40.22 C ATOM 1129 CD GLN A 73 -7.987 10.040 3.417 1.00 75.24 C ATOM 1130 OE1 GLN A 73 -9.142 9.846 3.035 1.00 21.24 O ATOM 1131 NE2 GLN A 73 -7.526 9.570 4.570 1.00 65.41 N ATOM 0 H GLN A 73 -3.872 13.048 2.619 1.00 51.05 H new ATOM 0 HA GLN A 73 -6.613 13.212 1.540 1.00 43.53 H new ATOM 0 HB2 GLN A 73 -5.589 11.685 3.929 1.00 0.22 H new ATOM 0 HB3 GLN A 73 -7.179 12.418 4.010 1.00 0.22 H new ATOM 0 HG2 GLN A 73 -7.521 11.194 1.677 1.00 40.22 H new ATOM 0 HG3 GLN A 73 -6.204 10.187 2.245 1.00 40.22 H new ATOM 0 HE21 GLN A 73 -6.562 9.755 4.847 1.00 65.41 H new ATOM 0 HE22 GLN A 73 -8.136 9.024 5.179 1.00 65.41 H new ATOM 1140 N TRP A 74 -7.156 15.160 3.049 1.00 43.42 N ATOM 1141 CA TRP A 74 -7.342 16.447 3.710 1.00 50.15 C ATOM 1142 C TRP A 74 -7.840 16.258 5.138 1.00 34.22 C ATOM 1143 O TRP A 74 -8.854 15.599 5.371 1.00 13.41 O ATOM 1144 CB TRP A 74 -8.329 17.311 2.922 1.00 44.15 C ATOM 1145 CG TRP A 74 -8.016 17.384 1.459 1.00 14.24 C ATOM 1146 CD1 TRP A 74 -8.573 16.634 0.463 1.00 12.12 C ATOM 1147 CD2 TRP A 74 -7.071 18.255 0.827 1.00 71.21 C ATOM 1148 NE1 TRP A 74 -8.032 16.987 -0.751 1.00 23.51 N ATOM 1149 CE2 TRP A 74 -7.108 17.979 -0.554 1.00 41.42 C ATOM 1150 CE3 TRP A 74 -6.199 19.241 1.294 1.00 71.12 C ATOM 1151 CZ2 TRP A 74 -6.306 18.655 -1.469 1.00 12.21 C ATOM 1152 CZ3 TRP A 74 -5.403 19.911 0.383 1.00 44.24 C ATOM 1153 CH2 TRP A 74 -5.461 19.616 -0.986 1.00 51.10 C ATOM 0 H TRP A 74 -7.965 14.837 2.519 1.00 43.42 H new ATOM 0 HA TRP A 74 -6.377 16.952 3.746 1.00 50.15 H new ATOM 0 HB2 TRP A 74 -9.335 16.911 3.052 1.00 44.15 H new ATOM 0 HB3 TRP A 74 -8.330 18.319 3.337 1.00 44.15 H new ATOM 0 HD1 TRP A 74 -9.328 15.875 0.607 1.00 12.12 H new ATOM 0 HE1 TRP A 74 -8.279 16.577 -1.652 1.00 23.51 H new ATOM 0 HE3 TRP A 74 -6.147 19.476 2.347 1.00 71.12 H new ATOM 0 HZ2 TRP A 74 -6.349 18.428 -2.524 1.00 12.21 H new ATOM 0 HZ3 TRP A 74 -4.725 20.675 0.733 1.00 44.24 H new ATOM 0 HH2 TRP A 74 -4.827 20.158 -1.672 1.00 51.10 H new ATOM 1164 N VAL A 75 -7.123 16.841 6.094 1.00 2.43 N ATOM 1165 CA VAL A 75 -7.494 16.739 7.499 1.00 44.01 C ATOM 1166 C VAL A 75 -7.264 18.058 8.227 1.00 31.52 C ATOM 1167 O VAL A 75 -6.461 18.886 7.795 1.00 30.21 O ATOM 1168 CB VAL A 75 -6.697 15.627 8.210 1.00 3.12 C ATOM 1169 CG1 VAL A 75 -7.206 14.255 7.793 1.00 12.40 C ATOM 1170 CG2 VAL A 75 -5.212 15.766 7.915 1.00 31.10 C ATOM 0 H VAL A 75 -6.281 17.389 5.920 1.00 2.43 H new ATOM 0 HA VAL A 75 -8.555 16.492 7.529 1.00 44.01 H new ATOM 0 HB VAL A 75 -6.842 15.730 9.285 1.00 3.12 H new ATOM 0 HG11 VAL A 75 -6.632 13.483 8.305 1.00 12.40 H new ATOM 0 HG12 VAL A 75 -8.259 14.161 8.060 1.00 12.40 H new ATOM 0 HG13 VAL A 75 -7.093 14.137 6.715 1.00 12.40 H new ATOM 0 HG21 VAL A 75 -4.664 14.973 8.424 1.00 31.10 H new ATOM 0 HG22 VAL A 75 -5.046 15.689 6.840 1.00 31.10 H new ATOM 0 HG23 VAL A 75 -4.860 16.735 8.268 1.00 31.10 H new ATOM 1180 N HIS A 76 -7.974 18.249 9.335 1.00 63.01 N ATOM 1181 CA HIS A 76 -7.846 19.468 10.124 1.00 74.30 C ATOM 1182 C HIS A 76 -7.334 19.156 11.527 1.00 62.21 C ATOM 1183 O HIS A 76 -7.449 18.027 12.003 1.00 72.04 O ATOM 1184 CB HIS A 76 -9.191 20.191 10.208 1.00 70.12 C ATOM 1185 CG HIS A 76 -10.149 19.562 11.173 1.00 2.15 C ATOM 1186 ND1 HIS A 76 -10.961 18.498 10.842 1.00 13.43 N ATOM 1187 CD2 HIS A 76 -10.420 19.854 12.466 1.00 41.33 C ATOM 1188 CE1 HIS A 76 -11.691 18.163 11.891 1.00 11.05 C ATOM 1189 NE2 HIS A 76 -11.383 18.970 12.889 1.00 32.15 N ATOM 0 H HIS A 76 -8.644 17.575 9.706 1.00 63.01 H new ATOM 0 HA HIS A 76 -7.124 20.117 9.629 1.00 74.30 H new ATOM 0 HB2 HIS A 76 -9.020 21.227 10.501 1.00 70.12 H new ATOM 0 HB3 HIS A 76 -9.646 20.211 9.218 1.00 70.12 H new ATOM 0 HD2 HIS A 76 -9.964 20.636 13.056 1.00 41.33 H new ATOM 0 HE1 HIS A 76 -12.417 17.364 11.926 1.00 11.05 H new ATOM 0 HE2 HIS A 76 -11.793 18.942 13.822 1.00 32.15 H new ATOM 1197 N ASP A 77 -6.771 20.164 12.184 1.00 1.43 N ATOM 1198 CA ASP A 77 -6.242 19.997 13.533 1.00 33.21 C ATOM 1199 C ASP A 77 -7.237 20.503 14.573 1.00 70.34 C ATOM 1200 O ASP A 77 -7.735 21.626 14.497 1.00 64.41 O ATOM 1201 CB ASP A 77 -4.913 20.739 13.678 1.00 62.43 C ATOM 1202 CG ASP A 77 -4.014 20.117 14.729 1.00 63.34 C ATOM 1203 OD1 ASP A 77 -4.426 20.063 15.907 1.00 41.33 O ATOM 1204 OD2 ASP A 77 -2.897 19.684 14.372 1.00 44.05 O1- ATOM 0 H ASP A 77 -6.669 21.105 11.805 1.00 1.43 H new ATOM 0 HA ASP A 77 -6.076 18.933 13.702 1.00 33.21 H new ATOM 0 HB2 ASP A 77 -4.396 20.743 12.718 1.00 62.43 H new ATOM 0 HB3 ASP A 77 -5.108 21.779 13.940 1.00 62.43 H new ATOM 1209 N PRO A 78 -7.536 19.654 15.568 1.00 20.45 N ATOM 1210 CA PRO A 78 -8.475 19.994 16.642 1.00 45.12 C ATOM 1211 C PRO A 78 -7.919 21.056 17.584 1.00 52.21 C ATOM 1212 O PRO A 78 -8.668 21.701 18.318 1.00 23.20 O ATOM 1213 CB PRO A 78 -8.659 18.667 17.382 1.00 71.01 C ATOM 1214 CG PRO A 78 -7.412 17.901 17.105 1.00 2.41 C ATOM 1215 CD PRO A 78 -6.981 18.299 15.721 1.00 33.02 C ATOM 0 HA PRO A 78 -9.403 20.416 16.255 1.00 45.12 H new ATOM 0 HB2 PRO A 78 -8.796 18.826 18.452 1.00 71.01 H new ATOM 0 HB3 PRO A 78 -9.539 18.133 17.024 1.00 71.01 H new ATOM 0 HG2 PRO A 78 -6.639 18.135 17.837 1.00 2.41 H new ATOM 0 HG3 PRO A 78 -7.592 16.828 17.164 1.00 2.41 H new ATOM 0 HD2 PRO A 78 -5.896 18.296 15.622 1.00 33.02 H new ATOM 0 HD3 PRO A 78 -7.372 17.617 14.966 1.00 33.02 H new ATOM 1223 N SER A 79 -6.602 21.234 17.557 1.00 35.34 N ATOM 1224 CA SER A 79 -5.946 22.217 18.411 1.00 5.14 C ATOM 1225 C SER A 79 -5.946 23.594 17.754 1.00 2.34 C ATOM 1226 O SER A 79 -5.931 24.618 18.437 1.00 53.41 O ATOM 1227 CB SER A 79 -4.510 21.784 18.712 1.00 42.01 C ATOM 1228 OG SER A 79 -4.452 20.995 19.888 1.00 3.14 O ATOM 0 H SER A 79 -5.968 20.710 16.953 1.00 35.34 H new ATOM 0 HA SER A 79 -6.503 22.279 19.346 1.00 5.14 H new ATOM 0 HB2 SER A 79 -4.114 21.217 17.870 1.00 42.01 H new ATOM 0 HB3 SER A 79 -3.878 22.664 18.829 1.00 42.01 H new ATOM 0 HG SER A 79 -3.524 20.729 20.058 1.00 3.14 H new ATOM 1234 N GLU A 80 -5.966 23.609 16.425 1.00 34.21 N ATOM 1235 CA GLU A 80 -5.968 24.860 15.675 1.00 31.11 C ATOM 1236 C GLU A 80 -7.372 25.195 15.180 1.00 4.43 C ATOM 1237 O GLU A 80 -8.245 24.333 15.083 1.00 53.10 O ATOM 1238 CB GLU A 80 -5.004 24.772 14.491 1.00 21.12 C ATOM 1239 CG GLU A 80 -3.572 25.133 14.844 1.00 61.25 C ATOM 1240 CD GLU A 80 -3.436 26.556 15.349 1.00 12.23 C ATOM 1241 OE1 GLU A 80 -3.586 26.768 16.571 1.00 23.05 O ATOM 1242 OE2 GLU A 80 -3.180 27.457 14.524 1.00 54.30 O1- ATOM 0 H GLU A 80 -5.981 22.770 15.846 1.00 34.21 H new ATOM 0 HA GLU A 80 -5.638 25.655 16.343 1.00 31.11 H new ATOM 0 HB2 GLU A 80 -5.026 23.759 14.090 1.00 21.12 H new ATOM 0 HB3 GLU A 80 -5.352 25.436 13.700 1.00 21.12 H new ATOM 0 HG2 GLU A 80 -3.205 24.445 15.605 1.00 61.25 H new ATOM 0 HG3 GLU A 80 -2.941 25.002 13.965 1.00 61.25 H new ATOM 1249 N PRO A 81 -7.595 26.477 14.857 1.00 71.34 N ATOM 1250 CA PRO A 81 -8.890 26.956 14.366 1.00 12.23 C ATOM 1251 C PRO A 81 -9.203 26.448 12.963 1.00 54.22 C ATOM 1252 O PRO A 81 -8.319 26.368 12.109 1.00 51.34 O ATOM 1253 CB PRO A 81 -8.727 28.479 14.359 1.00 53.15 C ATOM 1254 CG PRO A 81 -7.259 28.700 14.224 1.00 44.41 C ATOM 1255 CD PRO A 81 -6.599 27.559 14.947 1.00 34.31 C ATOM 0 HA PRO A 81 -9.715 26.605 14.986 1.00 12.23 H new ATOM 0 HB2 PRO A 81 -9.274 28.932 13.532 1.00 53.15 H new ATOM 0 HB3 PRO A 81 -9.112 28.923 15.277 1.00 53.15 H new ATOM 0 HG2 PRO A 81 -6.963 28.721 13.175 1.00 44.41 H new ATOM 0 HG3 PRO A 81 -6.967 29.657 14.657 1.00 44.41 H new ATOM 0 HD2 PRO A 81 -5.656 27.278 14.478 1.00 34.31 H new ATOM 0 HD3 PRO A 81 -6.376 27.815 15.983 1.00 34.31 H new ATOM 1263 N VAL A 82 -10.466 26.105 12.729 1.00 52.51 N ATOM 1264 CA VAL A 82 -10.894 25.606 11.429 1.00 44.45 C ATOM 1265 C VAL A 82 -12.017 26.462 10.854 1.00 64.55 C ATOM 1266 O VAL A 82 -12.852 26.985 11.590 1.00 3.43 O ATOM 1267 CB VAL A 82 -11.373 24.144 11.519 1.00 4.41 C ATOM 1268 CG1 VAL A 82 -10.297 23.267 12.140 1.00 71.24 C ATOM 1269 CG2 VAL A 82 -12.668 24.057 12.312 1.00 72.14 C ATOM 0 H VAL A 82 -11.210 26.164 13.424 1.00 52.51 H new ATOM 0 HA VAL A 82 -10.028 25.657 10.770 1.00 44.45 H new ATOM 0 HB VAL A 82 -11.566 23.780 10.510 1.00 4.41 H new ATOM 0 HG11 VAL A 82 -10.653 22.238 12.195 1.00 71.24 H new ATOM 0 HG12 VAL A 82 -9.397 23.307 11.527 1.00 71.24 H new ATOM 0 HG13 VAL A 82 -10.069 23.626 13.143 1.00 71.24 H new ATOM 0 HG21 VAL A 82 -12.992 23.018 12.366 1.00 72.14 H new ATOM 0 HG22 VAL A 82 -12.504 24.439 13.320 1.00 72.14 H new ATOM 0 HG23 VAL A 82 -13.437 24.652 11.819 1.00 72.14 H new ATOM 1279 N VAL A 83 -12.030 26.602 9.532 1.00 50.41 N ATOM 1280 CA VAL A 83 -13.051 27.394 8.857 1.00 1.01 C ATOM 1281 C VAL A 83 -13.913 26.522 7.952 1.00 10.44 C ATOM 1282 O VAL A 83 -13.654 25.329 7.788 1.00 73.11 O ATOM 1283 CB VAL A 83 -12.422 28.522 8.016 1.00 15.32 C ATOM 1284 CG1 VAL A 83 -11.362 29.259 8.821 1.00 40.22 C ATOM 1285 CG2 VAL A 83 -11.832 27.962 6.731 1.00 11.55 C ATOM 0 H VAL A 83 -11.345 26.177 8.907 1.00 50.41 H new ATOM 0 HA VAL A 83 -13.675 27.835 9.635 1.00 1.01 H new ATOM 0 HB VAL A 83 -13.204 29.234 7.750 1.00 15.32 H new ATOM 0 HG11 VAL A 83 -10.928 30.052 8.212 1.00 40.22 H new ATOM 0 HG12 VAL A 83 -11.818 29.693 9.711 1.00 40.22 H new ATOM 0 HG13 VAL A 83 -10.580 28.561 9.118 1.00 40.22 H new ATOM 0 HG21 VAL A 83 -11.392 28.772 6.149 1.00 11.55 H new ATOM 0 HG22 VAL A 83 -11.062 27.229 6.973 1.00 11.55 H new ATOM 0 HG23 VAL A 83 -12.618 27.482 6.148 1.00 11.55 H new ATOM 1295 N THR A 84 -14.943 27.124 7.363 1.00 44.21 N ATOM 1296 CA THR A 84 -15.844 26.403 6.475 1.00 74.32 C ATOM 1297 C THR A 84 -15.928 27.078 5.110 1.00 53.33 C ATOM 1298 O THR A 84 -16.546 28.133 4.966 1.00 51.12 O ATOM 1299 CB THR A 84 -17.260 26.304 7.074 1.00 3.04 C ATOM 1300 OG1 THR A 84 -17.182 26.136 8.493 1.00 23.43 O ATOM 1301 CG2 THR A 84 -18.025 25.139 6.462 1.00 25.03 C ATOM 0 H THR A 84 -15.173 28.110 7.486 1.00 44.21 H new ATOM 0 HA THR A 84 -15.436 25.399 6.356 1.00 74.32 H new ATOM 0 HB THR A 84 -17.792 27.228 6.847 1.00 3.04 H new ATOM 0 HG1 THR A 84 -18.086 26.076 8.865 1.00 23.43 H new ATOM 0 HG21 THR A 84 -19.022 25.088 6.900 1.00 25.03 H new ATOM 0 HG22 THR A 84 -18.109 25.284 5.385 1.00 25.03 H new ATOM 0 HG23 THR A 84 -17.493 24.209 6.662 1.00 25.03 H new ATOM 1309 N SER A 85 -15.303 26.463 4.112 1.00 12.31 N ATOM 1310 CA SER A 85 -15.305 27.006 2.759 1.00 62.15 C ATOM 1311 C SER A 85 -16.731 27.197 2.252 1.00 62.25 C ATOM 1312 O SER A 85 -17.693 26.824 2.922 1.00 25.40 O ATOM 1313 CB SER A 85 -14.535 26.081 1.814 1.00 73.20 C ATOM 1314 OG SER A 85 -13.229 25.827 2.301 1.00 45.01 O ATOM 0 H SER A 85 -14.789 25.588 4.215 1.00 12.31 H new ATOM 0 HA SER A 85 -14.814 27.979 2.784 1.00 62.15 H new ATOM 0 HB2 SER A 85 -15.074 25.140 1.702 1.00 73.20 H new ATOM 0 HB3 SER A 85 -14.476 26.534 0.825 1.00 73.20 H new ATOM 0 HG SER A 85 -13.016 24.877 2.186 1.00 45.01 H new ATOM 1320 N GLN A 86 -16.856 27.782 1.064 1.00 54.44 N ATOM 1321 CA GLN A 86 -18.164 28.023 0.468 1.00 2.41 C ATOM 1322 C GLN A 86 -18.704 26.757 -0.192 1.00 50.10 C ATOM 1323 O GLN A 86 -19.823 26.742 -0.705 1.00 4.23 O ATOM 1324 CB GLN A 86 -18.078 29.152 -0.562 1.00 4.33 C ATOM 1325 CG GLN A 86 -17.676 30.490 0.035 1.00 61.13 C ATOM 1326 CD GLN A 86 -16.198 30.783 -0.134 1.00 54.21 C ATOM 1327 OE1 GLN A 86 -15.794 31.481 -1.065 1.00 53.21 O ATOM 1328 NE2 GLN A 86 -15.382 30.251 0.768 1.00 50.44 N ATOM 0 H GLN A 86 -16.069 28.097 0.497 1.00 54.44 H new ATOM 0 HA GLN A 86 -18.849 28.317 1.263 1.00 2.41 H new ATOM 0 HB2 GLN A 86 -17.358 28.876 -1.332 1.00 4.33 H new ATOM 0 HB3 GLN A 86 -19.045 29.259 -1.054 1.00 4.33 H new ATOM 0 HG2 GLN A 86 -18.256 31.283 -0.437 1.00 61.13 H new ATOM 0 HG3 GLN A 86 -17.926 30.500 1.096 1.00 61.13 H new ATOM 0 HE21 GLN A 86 -15.760 29.679 1.523 1.00 50.44 H new ATOM 0 HE22 GLN A 86 -14.377 30.414 0.706 1.00 50.44 H new ATOM 1337 N LEU A 87 -17.901 25.699 -0.175 1.00 53.55 N ATOM 1338 CA LEU A 87 -18.298 24.429 -0.771 1.00 32.15 C ATOM 1339 C LEU A 87 -18.620 23.398 0.307 1.00 71.20 C ATOM 1340 O LEU A 87 -19.048 22.284 0.006 1.00 72.13 O ATOM 1341 CB LEU A 87 -17.188 23.901 -1.681 1.00 52.11 C ATOM 1342 CG LEU A 87 -15.759 24.274 -1.283 1.00 71.13 C ATOM 1343 CD1 LEU A 87 -14.779 23.211 -1.755 1.00 0.40 C ATOM 1344 CD2 LEU A 87 -15.386 25.636 -1.850 1.00 21.21 C ATOM 0 H LEU A 87 -16.971 25.696 0.245 1.00 53.55 H new ATOM 0 HA LEU A 87 -19.196 24.600 -1.365 1.00 32.15 H new ATOM 0 HB2 LEU A 87 -17.262 22.814 -1.717 1.00 52.11 H new ATOM 0 HB3 LEU A 87 -17.370 24.267 -2.692 1.00 52.11 H new ATOM 0 HG LEU A 87 -15.707 24.329 -0.196 1.00 71.13 H new ATOM 0 HD11 LEU A 87 -13.767 23.493 -1.463 1.00 0.40 H new ATOM 0 HD12 LEU A 87 -15.034 22.254 -1.301 1.00 0.40 H new ATOM 0 HD13 LEU A 87 -14.832 23.123 -2.840 1.00 0.40 H new ATOM 0 HD21 LEU A 87 -14.366 25.885 -1.557 1.00 21.21 H new ATOM 0 HD22 LEU A 87 -15.455 25.609 -2.937 1.00 21.21 H new ATOM 0 HD23 LEU A 87 -16.070 26.391 -1.462 1.00 21.21 H new ATOM 1356 N GLY A 88 -18.413 23.779 1.564 1.00 42.12 N ATOM 1357 CA GLY A 88 -18.690 22.878 2.667 1.00 24.33 C ATOM 1358 C GLY A 88 -17.457 22.117 3.115 1.00 1.42 C ATOM 1359 O GLY A 88 -17.560 21.117 3.828 1.00 3.52 O ATOM 0 H GLY A 88 -18.058 24.695 1.838 1.00 42.12 H new ATOM 0 HA2 GLY A 88 -19.087 23.448 3.507 1.00 24.33 H new ATOM 0 HA3 GLY A 88 -19.463 22.169 2.369 1.00 24.33 H new ATOM 1363 N THR A 89 -16.287 22.587 2.696 1.00 71.55 N ATOM 1364 CA THR A 89 -15.030 21.944 3.056 1.00 55.20 C ATOM 1365 C THR A 89 -14.379 22.638 4.247 1.00 10.24 C ATOM 1366 O THR A 89 -14.230 23.860 4.258 1.00 41.43 O ATOM 1367 CB THR A 89 -14.043 21.939 1.874 1.00 22.31 C ATOM 1368 OG1 THR A 89 -13.735 23.284 1.488 1.00 42.53 O ATOM 1369 CG2 THR A 89 -14.623 21.185 0.687 1.00 71.24 C ATOM 0 H THR A 89 -16.184 23.412 2.106 1.00 71.55 H new ATOM 0 HA THR A 89 -15.267 20.915 3.325 1.00 55.20 H new ATOM 0 HB THR A 89 -13.131 21.435 2.193 1.00 22.31 H new ATOM 0 HG1 THR A 89 -13.106 23.273 0.737 1.00 42.53 H new ATOM 0 HG21 THR A 89 -13.908 21.195 -0.135 1.00 71.24 H new ATOM 0 HG22 THR A 89 -14.829 20.154 0.976 1.00 71.24 H new ATOM 0 HG23 THR A 89 -15.549 21.664 0.369 1.00 71.24 H new ATOM 1377 N ILE A 90 -13.991 21.851 5.245 1.00 15.44 N ATOM 1378 CA ILE A 90 -13.353 22.391 6.438 1.00 62.33 C ATOM 1379 C ILE A 90 -11.869 22.649 6.199 1.00 55.32 C ATOM 1380 O ILE A 90 -11.134 21.760 5.772 1.00 54.04 O ATOM 1381 CB ILE A 90 -13.509 21.439 7.640 1.00 62.51 C ATOM 1382 CG1 ILE A 90 -14.991 21.222 7.955 1.00 24.44 C ATOM 1383 CG2 ILE A 90 -12.780 21.995 8.853 1.00 41.13 C ATOM 1384 CD1 ILE A 90 -15.703 22.476 8.411 1.00 10.43 C ATOM 0 H ILE A 90 -14.108 20.838 5.251 1.00 15.44 H new ATOM 0 HA ILE A 90 -13.852 23.333 6.663 1.00 62.33 H new ATOM 0 HB ILE A 90 -13.066 20.477 7.384 1.00 62.51 H new ATOM 0 HG12 ILE A 90 -15.490 20.834 7.067 1.00 24.44 H new ATOM 0 HG13 ILE A 90 -15.081 20.461 8.730 1.00 24.44 H new ATOM 0 HG21 ILE A 90 -12.899 21.312 9.694 1.00 41.13 H new ATOM 0 HG22 ILE A 90 -11.720 22.105 8.622 1.00 41.13 H new ATOM 0 HG23 ILE A 90 -13.197 22.968 9.114 1.00 41.13 H new ATOM 0 HD11 ILE A 90 -16.749 22.247 8.616 1.00 10.43 H new ATOM 0 HD12 ILE A 90 -15.230 22.854 9.317 1.00 10.43 H new ATOM 0 HD13 ILE A 90 -15.644 23.233 7.629 1.00 10.43 H new ATOM 1396 N ASN A 91 -11.435 23.873 6.480 1.00 75.15 N ATOM 1397 CA ASN A 91 -10.037 24.250 6.298 1.00 52.40 C ATOM 1398 C ASN A 91 -9.449 24.802 7.592 1.00 14.34 C ATOM 1399 O ASN A 91 -10.092 24.774 8.640 1.00 44.21 O ATOM 1400 CB ASN A 91 -9.908 25.288 5.182 1.00 44.32 C ATOM 1401 CG ASN A 91 -10.400 24.765 3.845 1.00 63.13 C ATOM 1402 OD1 ASN A 91 -10.814 23.611 3.732 1.00 53.22 O ATOM 1403 ND2 ASN A 91 -10.355 25.613 2.825 1.00 51.12 N ATOM 0 H ASN A 91 -12.031 24.621 6.835 1.00 75.15 H new ATOM 0 HA ASN A 91 -9.479 23.356 6.019 1.00 52.40 H new ATOM 0 HB2 ASN A 91 -10.475 26.179 5.451 1.00 44.32 H new ATOM 0 HB3 ASN A 91 -8.865 25.590 5.089 1.00 44.32 H new ATOM 0 HD21 ASN A 91 -10.671 25.317 1.902 1.00 51.12 H new ATOM 0 HD22 ASN A 91 -10.004 26.561 2.965 1.00 51.12 H new ATOM 1410 N ASN A 92 -8.221 25.306 7.510 1.00 21.11 N ATOM 1411 CA ASN A 92 -7.545 25.866 8.674 1.00 25.44 C ATOM 1412 C ASN A 92 -7.160 27.322 8.432 1.00 42.41 C ATOM 1413 O ASN A 92 -6.703 27.682 7.347 1.00 75.33 O ATOM 1414 CB ASN A 92 -6.298 25.046 9.010 1.00 12.33 C ATOM 1415 CG ASN A 92 -6.526 23.555 8.850 1.00 70.44 C ATOM 1416 OD1 ASN A 92 -5.689 22.844 8.294 1.00 14.31 O ATOM 1417 ND2 ASN A 92 -7.664 23.075 9.338 1.00 64.12 N ATOM 0 H ASN A 92 -7.675 25.338 6.649 1.00 21.11 H new ATOM 0 HA ASN A 92 -8.235 25.827 9.517 1.00 25.44 H new ATOM 0 HB2 ASN A 92 -5.477 25.357 8.364 1.00 12.33 H new ATOM 0 HB3 ASN A 92 -5.994 25.256 10.035 1.00 12.33 H new ATOM 0 HD21 ASN A 92 -7.873 22.080 9.260 1.00 64.12 H new ATOM 0 HD22 ASN A 92 -8.329 23.702 9.791 1.00 64.12 H new ATOM 1424 N LEU A 93 -7.349 28.155 9.450 1.00 31.22 N ATOM 1425 CA LEU A 93 -7.021 29.573 9.348 1.00 13.40 C ATOM 1426 C LEU A 93 -5.826 29.920 10.232 1.00 33.45 C ATOM 1427 O LEU A 93 -5.758 29.506 11.389 1.00 13.31 O ATOM 1428 CB LEU A 93 -8.227 30.425 9.744 1.00 61.04 C ATOM 1429 CG LEU A 93 -7.974 31.928 9.875 1.00 55.34 C ATOM 1430 CD1 LEU A 93 -7.494 32.505 8.552 1.00 52.14 C ATOM 1431 CD2 LEU A 93 -9.232 32.641 10.345 1.00 44.50 C ATOM 0 H LEU A 93 -7.727 27.873 10.354 1.00 31.22 H new ATOM 0 HA LEU A 93 -6.758 29.787 8.312 1.00 13.40 H new ATOM 0 HB2 LEU A 93 -9.013 30.272 9.004 1.00 61.04 H new ATOM 0 HB3 LEU A 93 -8.610 30.057 10.696 1.00 61.04 H new ATOM 0 HG LEU A 93 -7.193 32.083 10.620 1.00 55.34 H new ATOM 0 HD11 LEU A 93 -7.319 33.575 8.664 1.00 52.14 H new ATOM 0 HD12 LEU A 93 -6.567 32.015 8.256 1.00 52.14 H new ATOM 0 HD13 LEU A 93 -8.252 32.339 7.786 1.00 52.14 H new ATOM 0 HD21 LEU A 93 -9.034 33.709 10.433 1.00 44.50 H new ATOM 0 HD22 LEU A 93 -10.033 32.479 9.624 1.00 44.50 H new ATOM 0 HD23 LEU A 93 -9.532 32.247 11.316 1.00 44.50 H new ATOM 1443 N ILE A 94 -4.890 30.685 9.680 1.00 72.12 N ATOM 1444 CA ILE A 94 -3.701 31.090 10.420 1.00 23.02 C ATOM 1445 C ILE A 94 -3.425 32.579 10.242 1.00 33.42 C ATOM 1446 O ILE A 94 -3.486 33.105 9.130 1.00 24.54 O ATOM 1447 CB ILE A 94 -2.462 30.292 9.974 1.00 3.41 C ATOM 1448 CG1 ILE A 94 -1.222 30.767 10.736 1.00 44.30 C ATOM 1449 CG2 ILE A 94 -2.253 30.431 8.474 1.00 53.44 C ATOM 1450 CD1 ILE A 94 -0.301 29.640 11.152 1.00 55.11 C ATOM 0 H ILE A 94 -4.932 31.037 8.723 1.00 72.12 H new ATOM 0 HA ILE A 94 -3.897 30.882 11.472 1.00 23.02 H new ATOM 0 HB ILE A 94 -2.625 29.239 10.202 1.00 3.41 H new ATOM 0 HG12 ILE A 94 -0.667 31.467 10.111 1.00 44.30 H new ATOM 0 HG13 ILE A 94 -1.538 31.314 11.624 1.00 44.30 H new ATOM 0 HG21 ILE A 94 -1.373 29.861 8.175 1.00 53.44 H new ATOM 0 HG22 ILE A 94 -3.128 30.050 7.948 1.00 53.44 H new ATOM 0 HG23 ILE A 94 -2.107 31.482 8.223 1.00 53.44 H new ATOM 0 HD11 ILE A 94 0.556 30.049 11.687 1.00 55.11 H new ATOM 0 HD12 ILE A 94 -0.840 28.951 11.803 1.00 55.11 H new ATOM 0 HD13 ILE A 94 0.045 29.107 10.266 1.00 55.11 H new ATOM 1462 N HIS A 95 -3.118 33.254 11.345 1.00 31.02 N ATOM 1463 CA HIS A 95 -2.829 34.683 11.311 1.00 3.12 C ATOM 1464 C HIS A 95 -1.363 34.950 11.642 1.00 23.15 C ATOM 1465 O HIS A 95 -0.764 34.250 12.458 1.00 22.42 O ATOM 1466 CB HIS A 95 -3.729 35.431 12.295 1.00 44.24 C ATOM 1467 CG HIS A 95 -5.190 35.308 11.983 1.00 42.15 C ATOM 1468 ND1 HIS A 95 -6.181 35.756 12.830 1.00 4.04 N ATOM 1469 CD2 HIS A 95 -5.824 34.784 10.908 1.00 31.11 C ATOM 1470 CE1 HIS A 95 -7.361 35.512 12.291 1.00 35.13 C ATOM 1471 NE2 HIS A 95 -7.173 34.924 11.123 1.00 25.13 N ATOM 0 H HIS A 95 -3.063 32.834 12.273 1.00 31.02 H new ATOM 0 HA HIS A 95 -3.027 35.044 10.302 1.00 3.12 H new ATOM 0 HB2 HIS A 95 -3.547 35.052 13.301 1.00 44.24 H new ATOM 0 HB3 HIS A 95 -3.454 36.486 12.297 1.00 44.24 H new ATOM 0 HD1 HIS A 95 -6.027 36.206 13.732 1.00 4.04 H new ATOM 0 HD2 HIS A 95 -5.356 34.339 10.042 1.00 31.11 H new ATOM 0 HE1 HIS A 95 -8.318 35.752 12.730 1.00 35.13 H new ATOM 1479 N VAL A 96 -0.792 35.964 11.002 1.00 71.41 N ATOM 1480 CA VAL A 96 0.603 36.323 11.228 1.00 30.12 C ATOM 1481 C VAL A 96 0.717 37.655 11.959 1.00 32.13 C ATOM 1482 O VAL A 96 0.059 38.632 11.599 1.00 62.43 O ATOM 1483 CB VAL A 96 1.382 36.410 9.902 1.00 71.24 C ATOM 1484 CG1 VAL A 96 2.825 36.819 10.157 1.00 62.50 C ATOM 1485 CG2 VAL A 96 1.318 35.084 9.159 1.00 60.41 C ATOM 0 H VAL A 96 -1.274 36.552 10.322 1.00 71.41 H new ATOM 0 HA VAL A 96 1.036 35.535 11.845 1.00 30.12 H new ATOM 0 HB VAL A 96 0.918 37.173 9.277 1.00 71.24 H new ATOM 0 HG11 VAL A 96 3.360 36.875 9.209 1.00 62.50 H new ATOM 0 HG12 VAL A 96 2.846 37.794 10.644 1.00 62.50 H new ATOM 0 HG13 VAL A 96 3.304 36.081 10.801 1.00 62.50 H new ATOM 0 HG21 VAL A 96 1.874 35.163 8.225 1.00 60.41 H new ATOM 0 HG22 VAL A 96 1.756 34.300 9.776 1.00 60.41 H new ATOM 0 HG23 VAL A 96 0.278 34.838 8.943 1.00 60.41 H new ATOM 1495 N LYS A 97 1.554 37.689 12.990 1.00 13.43 N ATOM 1496 CA LYS A 97 1.757 38.902 13.773 1.00 32.32 C ATOM 1497 C LYS A 97 3.087 39.561 13.422 1.00 33.23 C ATOM 1498 O LYS A 97 4.070 38.881 13.128 1.00 53.25 O ATOM 1499 CB LYS A 97 1.715 38.580 15.268 1.00 23.44 C ATOM 1500 CG LYS A 97 0.509 37.752 15.679 1.00 24.53 C ATOM 1501 CD LYS A 97 0.407 37.625 17.189 1.00 41.45 C ATOM 1502 CE LYS A 97 -0.844 36.867 17.602 1.00 62.22 C ATOM 1503 NZ LYS A 97 -2.069 37.704 17.473 1.00 53.42 N1+ ATOM 0 H LYS A 97 2.104 36.889 13.303 1.00 13.43 H new ATOM 0 HA LYS A 97 0.953 39.598 13.534 1.00 32.32 H new ATOM 0 HB2 LYS A 97 2.624 38.043 15.541 1.00 23.44 H new ATOM 0 HB3 LYS A 97 1.714 39.513 15.832 1.00 23.44 H new ATOM 0 HG2 LYS A 97 -0.399 38.212 15.290 1.00 24.53 H new ATOM 0 HG3 LYS A 97 0.579 36.760 15.234 1.00 24.53 H new ATOM 0 HD2 LYS A 97 1.288 37.110 17.572 1.00 41.45 H new ATOM 0 HD3 LYS A 97 0.397 38.618 17.639 1.00 41.45 H new ATOM 0 HE2 LYS A 97 -0.948 35.974 16.985 1.00 62.22 H new ATOM 0 HE3 LYS A 97 -0.741 36.531 18.634 1.00 62.22 H new ATOM 0 HZ1 LYS A 97 -2.898 37.156 17.780 1.00 53.42 H new ATOM 0 HZ2 LYS A 97 -1.974 38.552 18.068 1.00 53.42 H new ATOM 0 HZ3 LYS A 97 -2.191 37.989 16.480 1.00 53.42 H new ATOM 1517 N LYS A 98 3.111 40.889 13.455 1.00 54.02 N ATOM 1518 CA LYS A 98 4.320 41.641 13.142 1.00 54.22 C ATOM 1519 C LYS A 98 5.265 41.673 14.339 1.00 33.52 C ATOM 1520 O LYS A 98 5.199 42.578 15.171 1.00 54.13 O ATOM 1521 CB LYS A 98 3.963 43.069 12.723 1.00 72.45 C ATOM 1522 CG LYS A 98 5.045 43.750 11.903 1.00 22.24 C ATOM 1523 CD LYS A 98 4.450 44.695 10.872 1.00 61.03 C ATOM 1524 CE LYS A 98 3.665 45.817 11.532 1.00 12.11 C ATOM 1525 NZ LYS A 98 2.198 45.666 11.321 1.00 62.45 N1+ ATOM 0 H LYS A 98 2.306 41.467 13.696 1.00 54.02 H new ATOM 0 HA LYS A 98 4.825 41.142 12.315 1.00 54.22 H new ATOM 0 HB2 LYS A 98 3.039 43.049 12.145 1.00 72.45 H new ATOM 0 HB3 LYS A 98 3.768 43.663 13.616 1.00 72.45 H new ATOM 0 HG2 LYS A 98 5.710 44.304 12.565 1.00 22.24 H new ATOM 0 HG3 LYS A 98 5.651 42.996 11.400 1.00 22.24 H new ATOM 0 HD2 LYS A 98 5.248 45.118 10.261 1.00 61.03 H new ATOM 0 HD3 LYS A 98 3.796 44.138 10.201 1.00 61.03 H new ATOM 0 HE2 LYS A 98 3.879 45.830 12.601 1.00 12.11 H new ATOM 0 HE3 LYS A 98 3.993 46.775 11.130 1.00 12.11 H new ATOM 0 HZ1 LYS A 98 1.689 46.014 12.158 1.00 62.45 H new ATOM 0 HZ2 LYS A 98 1.909 46.215 10.487 1.00 62.45 H new ATOM 0 HZ3 LYS A 98 1.970 44.662 11.170 1.00 62.45 H new ATOM 1539 N SER A 99 6.145 40.679 14.419 1.00 5.23 N ATOM 1540 CA SER A 99 7.103 40.593 15.515 1.00 54.21 C ATOM 1541 C SER A 99 8.060 41.780 15.496 1.00 15.23 C ATOM 1542 O SER A 99 8.637 42.144 16.521 1.00 12.25 O ATOM 1543 CB SER A 99 7.893 39.285 15.428 1.00 74.45 C ATOM 1544 OG SER A 99 7.072 38.172 15.736 1.00 71.51 O ATOM 0 H SER A 99 6.214 39.923 13.738 1.00 5.23 H new ATOM 0 HA SER A 99 6.547 40.613 16.452 1.00 54.21 H new ATOM 0 HB2 SER A 99 8.304 39.171 14.425 1.00 74.45 H new ATOM 0 HB3 SER A 99 8.737 39.320 16.117 1.00 74.45 H new ATOM 0 HG SER A 99 7.600 37.349 15.672 1.00 71.51 H new ATOM 1550 N ASP A 100 8.223 42.381 14.322 1.00 41.31 N ATOM 1551 CA ASP A 100 9.110 43.530 14.168 1.00 54.01 C ATOM 1552 C ASP A 100 8.534 44.758 14.865 1.00 20.12 C ATOM 1553 O ASP A 100 9.267 45.676 15.234 1.00 63.13 O ATOM 1554 CB ASP A 100 9.338 43.829 12.685 1.00 12.01 C ATOM 1555 CG ASP A 100 10.401 42.939 12.072 1.00 52.24 C ATOM 1556 OD1 ASP A 100 11.593 43.311 12.129 1.00 51.25 O ATOM 1557 OD2 ASP A 100 10.043 41.870 11.537 1.00 33.31 O1- ATOM 0 H ASP A 100 7.753 42.092 13.464 1.00 41.31 H new ATOM 0 HA ASP A 100 10.065 43.286 14.633 1.00 54.01 H new ATOM 0 HB2 ASP A 100 8.402 43.698 12.143 1.00 12.01 H new ATOM 0 HB3 ASP A 100 9.630 44.873 12.568 1.00 12.01 H new ATOM 1562 N PHE A 101 7.216 44.769 15.042 1.00 63.54 N ATOM 1563 CA PHE A 101 6.541 45.886 15.693 1.00 71.44 C ATOM 1564 C PHE A 101 6.628 45.763 17.210 1.00 52.32 C ATOM 1565 O PHE A 101 6.653 46.765 17.924 1.00 34.45 O ATOM 1566 CB PHE A 101 5.076 45.947 15.256 1.00 63.25 C ATOM 1567 CG PHE A 101 4.482 47.324 15.345 1.00 32.23 C ATOM 1568 CD1 PHE A 101 4.563 48.198 14.272 1.00 74.14 C ATOM 1569 CD2 PHE A 101 3.845 47.745 16.500 1.00 71.11 C ATOM 1570 CE1 PHE A 101 4.017 49.465 14.350 1.00 33.03 C ATOM 1571 CE2 PHE A 101 3.296 49.011 16.583 1.00 3.42 C ATOM 1572 CZ PHE A 101 3.384 49.873 15.507 1.00 74.12 C ATOM 0 H PHE A 101 6.595 44.017 14.744 1.00 63.54 H new ATOM 0 HA PHE A 101 7.041 46.807 15.393 1.00 71.44 H new ATOM 0 HB2 PHE A 101 4.996 45.591 14.229 1.00 63.25 H new ATOM 0 HB3 PHE A 101 4.491 45.267 15.875 1.00 63.25 H new ATOM 0 HD1 PHE A 101 5.058 47.885 13.365 1.00 74.14 H new ATOM 0 HD2 PHE A 101 3.776 47.077 17.346 1.00 71.11 H new ATOM 0 HE1 PHE A 101 4.085 50.136 13.506 1.00 33.03 H new ATOM 0 HE2 PHE A 101 2.799 49.326 17.488 1.00 3.42 H new ATOM 0 HZ PHE A 101 2.959 50.864 15.571 1.00 74.12 H new ATOM 1582 N GLU A 102 6.672 44.527 17.697 1.00 21.35 N ATOM 1583 CA GLU A 102 6.754 44.272 19.131 1.00 14.23 C ATOM 1584 C GLU A 102 8.203 44.086 19.568 1.00 60.31 C ATOM 1585 O GLU A 102 8.507 43.238 20.409 1.00 73.22 O ATOM 1586 CB GLU A 102 5.935 43.033 19.499 1.00 4.10 C ATOM 1587 CG GLU A 102 6.506 41.739 18.943 1.00 33.42 C ATOM 1588 CD GLU A 102 5.493 40.610 18.939 1.00 12.40 C ATOM 1589 OE1 GLU A 102 4.359 40.830 18.467 1.00 64.41 O1- ATOM 1590 OE2 GLU A 102 5.838 39.504 19.407 1.00 22.53 O ATOM 0 H GLU A 102 6.652 43.686 17.120 1.00 21.35 H new ATOM 0 HA GLU A 102 6.344 45.137 19.652 1.00 14.23 H new ATOM 0 HB2 GLU A 102 5.875 42.957 20.585 1.00 4.10 H new ATOM 0 HB3 GLU A 102 4.917 43.159 19.131 1.00 4.10 H new ATOM 0 HG2 GLU A 102 6.859 41.909 17.926 1.00 33.42 H new ATOM 0 HG3 GLU A 102 7.372 41.444 19.536 1.00 33.42 H new ATOM 1597 N VAL A 103 9.097 44.884 18.992 1.00 15.53 N ATOM 1598 CA VAL A 103 10.515 44.809 19.322 1.00 41.23 C ATOM 1599 C VAL A 103 10.926 45.951 20.243 1.00 24.20 C ATOM 1600 O VAL A 103 10.545 47.102 20.031 1.00 11.55 O ATOM 1601 CB VAL A 103 11.389 44.845 18.055 1.00 11.21 C ATOM 1602 CG1 VAL A 103 12.865 44.807 18.421 1.00 71.14 C ATOM 1603 CG2 VAL A 103 11.032 43.693 17.128 1.00 51.01 C ATOM 0 H VAL A 103 8.864 45.590 18.294 1.00 15.53 H new ATOM 0 HA VAL A 103 10.671 43.860 19.834 1.00 41.23 H new ATOM 0 HB VAL A 103 11.194 45.779 17.528 1.00 11.21 H new ATOM 0 HG11 VAL A 103 13.466 44.833 17.512 1.00 71.14 H new ATOM 0 HG12 VAL A 103 13.108 45.669 19.042 1.00 71.14 H new ATOM 0 HG13 VAL A 103 13.080 43.891 18.972 1.00 71.14 H new ATOM 0 HG21 VAL A 103 11.660 43.734 16.238 1.00 51.01 H new ATOM 0 HG22 VAL A 103 11.196 42.747 17.644 1.00 51.01 H new ATOM 0 HG23 VAL A 103 9.984 43.771 16.837 1.00 51.01 H new ATOM 1613 N PHE A 104 11.709 45.625 21.268 1.00 4.44 N ATOM 1614 CA PHE A 104 12.172 46.625 22.223 1.00 53.12 C ATOM 1615 C PHE A 104 13.471 47.269 21.749 1.00 20.21 C ATOM 1616 O PHE A 104 13.673 48.474 21.907 1.00 20.22 O ATOM 1617 CB PHE A 104 12.377 45.989 23.600 1.00 24.34 C ATOM 1618 CG PHE A 104 13.033 46.906 24.592 1.00 11.05 C ATOM 1619 CD1 PHE A 104 12.461 48.128 24.908 1.00 22.12 C ATOM 1620 CD2 PHE A 104 14.221 46.546 25.209 1.00 61.43 C ATOM 1621 CE1 PHE A 104 13.062 48.975 25.821 1.00 61.14 C ATOM 1622 CE2 PHE A 104 14.825 47.389 26.123 1.00 72.14 C ATOM 1623 CZ PHE A 104 14.246 48.604 26.429 1.00 73.40 C ATOM 0 H PHE A 104 12.035 44.677 21.458 1.00 4.44 H new ATOM 0 HA PHE A 104 11.409 47.400 22.298 1.00 53.12 H new ATOM 0 HB2 PHE A 104 11.411 45.673 23.993 1.00 24.34 H new ATOM 0 HB3 PHE A 104 12.985 45.091 23.490 1.00 24.34 H new ATOM 0 HD1 PHE A 104 11.535 48.422 24.436 1.00 22.12 H new ATOM 0 HD2 PHE A 104 14.679 45.597 24.973 1.00 61.43 H new ATOM 0 HE1 PHE A 104 12.607 49.925 26.058 1.00 61.14 H new ATOM 0 HE2 PHE A 104 15.750 47.097 26.598 1.00 72.14 H new ATOM 0 HZ PHE A 104 14.718 49.264 27.142 1.00 73.40 H new ATOM 1633 N ASP A 105 14.348 46.458 21.169 1.00 73.24 N ATOM 1634 CA ASP A 105 15.629 46.948 20.670 1.00 14.44 C ATOM 1635 C ASP A 105 15.857 46.502 19.229 1.00 70.40 C ATOM 1636 O ASP A 105 16.422 45.436 18.981 1.00 42.24 O ATOM 1637 CB ASP A 105 16.770 46.449 21.558 1.00 3.22 C ATOM 1638 CG ASP A 105 17.974 47.369 21.523 1.00 12.21 C ATOM 1639 OD1 ASP A 105 18.444 47.693 20.412 1.00 44.03 O ATOM 1640 OD2 ASP A 105 18.448 47.767 22.608 1.00 24.32 O1- ATOM 0 H ASP A 105 14.196 45.459 21.032 1.00 73.24 H new ATOM 0 HA ASP A 105 15.609 48.038 20.695 1.00 14.44 H new ATOM 0 HB2 ASP A 105 16.415 46.359 22.585 1.00 3.22 H new ATOM 0 HB3 ASP A 105 17.069 45.452 21.235 1.00 3.22 H new TER 1645 ASP A 105