USER MOD reduce.3.24.130724 H: found=0, std=0, add=1103, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1103 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 72 SER OG : rot 59:sc= 0.589 USER MOD Set 1.2: A 102 TYR OH : rot -137:sc= 0.68 USER MOD Set 2.1: A 57 LYS NZ :NH3+ 147:sc= 1.73 (180deg=-0.635) USER MOD Set 2.2: A 59 ASN : amide:sc= 0.633 K(o=2.4,f=-9.5!) USER MOD Single : A 1 MET CE :methyl -146:sc= 0 (180deg=-0.604) USER MOD Single : A 1 MET N :NH3+ -115:sc= -0.0274 (180deg=-0.212) USER MOD Single : A 2 LYS NZ :NH3+ 159:sc= -4.76! (180deg=-6.54!) USER MOD Single : A 8 ASN : amide:sc= -1.73 K(o=-1.7,f=-3.2!) USER MOD Single : A 9 THR OG1 : rot 53:sc= 0.821 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.2) USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0146) USER MOD Single : A 17 LYS NZ :NH3+ -161:sc= 0.895 (180deg=0.549) USER MOD Single : A 19 LYS NZ :NH3+ 142:sc= -1.21 (180deg=-1.78!) USER MOD Single : A 20 LYS NZ :NH3+ 167:sc= -0.0386 (180deg=-0.219) USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 25 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.0086) USER MOD Single : A 27 TYR OH : rot 54:sc= 0.767 USER MOD Single : A 28 GLN : amide:sc= -0.403 X(o=-0.4,f=0) USER MOD Single : A 33 ASN : amide:sc= 0.339 X(o=0.34,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -171:sc=-0.00998 (180deg=-0.12) USER MOD Single : A 40 LYS NZ :NH3+ -107:sc= 0.473 (180deg=0.164) USER MOD Single : A 42 MET CE :methyl -144:sc= -0.899 (180deg=-3.17!) USER MOD Single : A 43 LYS NZ :NH3+ 165:sc= -0.0191 (180deg=-0.238) USER MOD Single : A 44 LYS NZ :NH3+ 169:sc= 0.19 (180deg=0.15) USER MOD Single : A 49 LYS NZ :NH3+ -173:sc=-0.00719 (180deg=-0.0588) USER MOD Single : A 50 ASN : amide:sc= 0.00757 K(o=0.0076,f=-0.91) USER MOD Single : A 53 LYS NZ :NH3+ 176:sc= -0.835 (180deg=-0.996) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -158:sc= 0.576 (180deg=0.288) USER MOD Single : A 62 GLN : amide:sc= -0.476 K(o=-0.48,f=-2.9!) USER MOD Single : A 65 LYS NZ :NH3+ 167:sc= 0.61 (180deg=0.386) USER MOD Single : A 67 MET CE :methyl -167:sc= -1.48 (180deg=-2.12) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -140:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -172:sc= -0.494 (180deg=-0.549) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 94 LYS NZ :NH3+ 152:sc= 0.452 (180deg=-0.133) USER MOD Single : A 96 LYS NZ :NH3+ 167:sc= 0.596 (180deg=0.408) USER MOD Single : A 99 SER OG : rot 91:sc= 1.02 USER MOD Single : A 100 GLN : amide:sc= -0.42 X(o=-0.42,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 156:sc= 0.55 (180deg=-0.686) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0.659 (180deg=0.659) USER MOD Single : A 121 MET CE :methyl 156:sc= -0.892 (180deg=-1.6!) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot -68:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.556 8.704 13.944 1.00 11.54 N ATOM 2 CA MET A 1 3.928 8.754 12.516 1.00 3.34 C ATOM 3 C MET A 1 4.414 7.370 12.071 1.00 22.01 C ATOM 4 O MET A 1 5.496 6.940 12.458 1.00 33.34 O ATOM 5 CB MET A 1 5.022 9.834 12.266 1.00 22.32 C ATOM 6 CG MET A 1 5.554 9.888 10.818 1.00 41.52 C ATOM 7 SD MET A 1 4.240 10.171 9.614 1.00 42.05 S ATOM 8 CE MET A 1 5.117 9.988 8.059 1.00 24.01 C ATOM 0 H1 MET A 1 2.535 8.874 14.043 1.00 11.54 H new ATOM 0 H2 MET A 1 3.791 7.768 14.331 1.00 11.54 H new ATOM 0 H3 MET A 1 4.080 9.435 14.465 1.00 11.54 H new ATOM 0 HA MET A 1 3.053 9.031 11.928 1.00 3.34 H new ATOM 0 HB2 MET A 1 4.615 10.811 12.526 1.00 22.32 H new ATOM 0 HB3 MET A 1 5.858 9.647 12.940 1.00 22.32 H new ATOM 0 HG2 MET A 1 6.296 10.682 10.736 1.00 41.52 H new ATOM 0 HG3 MET A 1 6.062 8.952 10.585 1.00 41.52 H new ATOM 0 HE1 MET A 1 4.693 10.668 7.320 1.00 24.01 H new ATOM 0 HE2 MET A 1 6.171 10.223 8.206 1.00 24.01 H new ATOM 0 HE3 MET A 1 5.020 8.961 7.705 1.00 24.01 H new ATOM 20 N LYS A 2 3.605 6.678 11.262 1.00 41.10 N ATOM 21 CA LYS A 2 3.929 5.330 10.752 1.00 61.52 C ATOM 22 C LYS A 2 4.005 5.347 9.215 1.00 33.00 C ATOM 23 O LYS A 2 3.178 5.974 8.551 1.00 74.14 O ATOM 24 CB LYS A 2 2.899 4.278 11.274 1.00 44.22 C ATOM 25 CG LYS A 2 1.428 4.762 11.344 1.00 3.51 C ATOM 26 CD LYS A 2 0.427 3.626 11.690 1.00 73.13 C ATOM 27 CE LYS A 2 0.844 2.786 12.912 1.00 52.45 C ATOM 28 NZ LYS A 2 -0.160 1.735 13.243 1.00 64.21 N ATOM 0 H LYS A 2 2.705 7.032 10.939 1.00 41.10 H new ATOM 0 HA LYS A 2 4.908 5.035 11.129 1.00 61.52 H new ATOM 0 HB2 LYS A 2 2.944 3.400 10.629 1.00 44.22 H new ATOM 0 HB3 LYS A 2 3.206 3.958 12.270 1.00 44.22 H new ATOM 0 HG2 LYS A 2 1.347 5.550 12.093 1.00 3.51 H new ATOM 0 HG3 LYS A 2 1.151 5.203 10.386 1.00 3.51 H new ATOM 0 HD2 LYS A 2 -0.554 4.063 11.878 1.00 73.13 H new ATOM 0 HD3 LYS A 2 0.324 2.969 10.826 1.00 73.13 H new ATOM 0 HE2 LYS A 2 1.808 2.316 12.716 1.00 52.45 H new ATOM 0 HE3 LYS A 2 0.978 3.442 13.772 1.00 52.45 H new ATOM 0 HZ1 LYS A 2 0.292 0.989 13.810 1.00 64.21 H new ATOM 0 HZ2 LYS A 2 -0.939 2.158 13.786 1.00 64.21 H new ATOM 0 HZ3 LYS A 2 -0.534 1.323 12.364 1.00 64.21 H new ATOM 42 N ILE A 3 5.031 4.672 8.672 1.00 54.41 N ATOM 43 CA ILE A 3 5.281 4.579 7.227 1.00 53.45 C ATOM 44 C ILE A 3 4.631 3.297 6.684 1.00 64.43 C ATOM 45 O ILE A 3 5.122 2.190 6.925 1.00 63.33 O ATOM 46 CB ILE A 3 6.832 4.576 6.936 1.00 43.25 C ATOM 47 CG1 ILE A 3 7.482 5.891 7.477 1.00 10.32 C ATOM 48 CG2 ILE A 3 7.131 4.376 5.428 1.00 54.32 C ATOM 49 CD1 ILE A 3 8.991 5.987 7.300 1.00 63.12 C ATOM 0 H ILE A 3 5.719 4.169 9.233 1.00 54.41 H new ATOM 0 HA ILE A 3 4.845 5.444 6.728 1.00 53.45 H new ATOM 0 HB ILE A 3 7.276 3.730 7.460 1.00 43.25 H new ATOM 0 HG12 ILE A 3 7.018 6.740 6.975 1.00 10.32 H new ATOM 0 HG13 ILE A 3 7.250 5.983 8.538 1.00 10.32 H new ATOM 0 HG21 ILE A 3 8.209 4.380 5.267 1.00 54.32 H new ATOM 0 HG22 ILE A 3 6.718 3.423 5.099 1.00 54.32 H new ATOM 0 HG23 ILE A 3 6.676 5.185 4.856 1.00 54.32 H new ATOM 0 HD11 ILE A 3 9.345 6.934 7.706 1.00 63.12 H new ATOM 0 HD12 ILE A 3 9.472 5.163 7.827 1.00 63.12 H new ATOM 0 HD13 ILE A 3 9.237 5.932 6.240 1.00 63.12 H new ATOM 61 N LEU A 4 3.503 3.459 5.980 1.00 60.14 N ATOM 62 CA LEU A 4 2.754 2.342 5.378 1.00 53.12 C ATOM 63 C LEU A 4 3.070 2.238 3.886 1.00 75.35 C ATOM 64 O LEU A 4 2.972 3.226 3.158 1.00 52.12 O ATOM 65 CB LEU A 4 1.215 2.510 5.584 1.00 50.33 C ATOM 66 CG LEU A 4 0.634 2.032 6.955 1.00 42.21 C ATOM 67 CD1 LEU A 4 1.242 2.793 8.146 1.00 3.24 C ATOM 68 CD2 LEU A 4 -0.905 2.127 6.951 1.00 14.01 C ATOM 0 H LEU A 4 3.080 4.372 5.810 1.00 60.14 H new ATOM 0 HA LEU A 4 3.065 1.425 5.879 1.00 53.12 H new ATOM 0 HB2 LEU A 4 0.968 3.564 5.459 1.00 50.33 H new ATOM 0 HB3 LEU A 4 0.704 1.966 4.790 1.00 50.33 H new ATOM 0 HG LEU A 4 0.915 0.987 7.083 1.00 42.21 H new ATOM 0 HD11 LEU A 4 0.806 2.424 9.074 1.00 3.24 H new ATOM 0 HD12 LEU A 4 2.321 2.637 8.165 1.00 3.24 H new ATOM 0 HD13 LEU A 4 1.031 3.857 8.044 1.00 3.24 H new ATOM 0 HD21 LEU A 4 -1.293 1.791 7.913 1.00 14.01 H new ATOM 0 HD22 LEU A 4 -1.205 3.161 6.780 1.00 14.01 H new ATOM 0 HD23 LEU A 4 -1.306 1.497 6.157 1.00 14.01 H new ATOM 80 N ILE A 5 3.471 1.039 3.451 1.00 43.01 N ATOM 81 CA ILE A 5 3.531 0.672 2.036 1.00 22.24 C ATOM 82 C ILE A 5 2.347 -0.265 1.760 1.00 22.01 C ATOM 83 O ILE A 5 2.341 -1.427 2.180 1.00 41.11 O ATOM 84 CB ILE A 5 4.893 -0.017 1.635 1.00 41.32 C ATOM 85 CG1 ILE A 5 6.098 0.944 1.886 1.00 42.33 C ATOM 86 CG2 ILE A 5 4.867 -0.491 0.158 1.00 51.33 C ATOM 87 CD1 ILE A 5 7.462 0.368 1.506 1.00 1.35 C ATOM 0 H ILE A 5 3.765 0.291 4.078 1.00 43.01 H new ATOM 0 HA ILE A 5 3.473 1.576 1.430 1.00 22.24 H new ATOM 0 HB ILE A 5 5.020 -0.896 2.267 1.00 41.32 H new ATOM 0 HG12 ILE A 5 5.936 1.863 1.322 1.00 42.33 H new ATOM 0 HG13 ILE A 5 6.115 1.216 2.941 1.00 42.33 H new ATOM 0 HG21 ILE A 5 5.818 -0.962 -0.090 1.00 51.33 H new ATOM 0 HG22 ILE A 5 4.060 -1.210 0.021 1.00 51.33 H new ATOM 0 HG23 ILE A 5 4.705 0.366 -0.496 1.00 51.33 H new ATOM 0 HD11 ILE A 5 8.239 1.104 1.714 1.00 1.35 H new ATOM 0 HD12 ILE A 5 7.651 -0.534 2.088 1.00 1.35 H new ATOM 0 HD13 ILE A 5 7.470 0.123 0.444 1.00 1.35 H new ATOM 99 N LEU A 6 1.327 0.280 1.107 1.00 44.44 N ATOM 100 CA LEU A 6 0.119 -0.438 0.732 1.00 43.14 C ATOM 101 C LEU A 6 0.355 -1.083 -0.643 1.00 14.42 C ATOM 102 O LEU A 6 0.777 -0.411 -1.589 1.00 70.33 O ATOM 103 CB LEU A 6 -1.088 0.565 0.699 1.00 51.25 C ATOM 104 CG LEU A 6 -2.428 0.064 1.298 1.00 44.12 C ATOM 105 CD1 LEU A 6 -3.523 1.150 1.193 1.00 73.24 C ATOM 106 CD2 LEU A 6 -2.882 -1.270 0.661 1.00 33.44 C ATOM 0 H LEU A 6 1.319 1.258 0.817 1.00 44.44 H new ATOM 0 HA LEU A 6 -0.117 -1.220 1.454 1.00 43.14 H new ATOM 0 HB2 LEU A 6 -0.794 1.469 1.233 1.00 51.25 H new ATOM 0 HB3 LEU A 6 -1.265 0.850 -0.338 1.00 51.25 H new ATOM 0 HG LEU A 6 -2.259 -0.135 2.356 1.00 44.12 H new ATOM 0 HD11 LEU A 6 -4.452 0.772 1.620 1.00 73.24 H new ATOM 0 HD12 LEU A 6 -3.207 2.039 1.739 1.00 73.24 H new ATOM 0 HD13 LEU A 6 -3.683 1.405 0.145 1.00 73.24 H new ATOM 0 HD21 LEU A 6 -3.824 -1.585 1.109 1.00 33.44 H new ATOM 0 HD22 LEU A 6 -3.018 -1.133 -0.412 1.00 33.44 H new ATOM 0 HD23 LEU A 6 -2.124 -2.033 0.836 1.00 33.44 H new ATOM 118 N ILE A 7 0.103 -2.388 -0.725 1.00 41.42 N ATOM 119 CA ILE A 7 0.317 -3.188 -1.933 1.00 25.32 C ATOM 120 C ILE A 7 -0.997 -3.852 -2.345 1.00 54.22 C ATOM 121 O ILE A 7 -1.606 -4.600 -1.560 1.00 23.44 O ATOM 122 CB ILE A 7 1.431 -4.284 -1.709 1.00 70.11 C ATOM 123 CG1 ILE A 7 2.802 -3.609 -1.392 1.00 75.33 C ATOM 124 CG2 ILE A 7 1.550 -5.248 -2.922 1.00 21.24 C ATOM 125 CD1 ILE A 7 3.375 -2.746 -2.506 1.00 65.13 C ATOM 0 H ILE A 7 -0.262 -2.930 0.058 1.00 41.42 H new ATOM 0 HA ILE A 7 0.659 -2.524 -2.727 1.00 25.32 H new ATOM 0 HB ILE A 7 1.134 -4.888 -0.851 1.00 70.11 H new ATOM 0 HG12 ILE A 7 2.687 -2.993 -0.500 1.00 75.33 H new ATOM 0 HG13 ILE A 7 3.525 -4.388 -1.150 1.00 75.33 H new ATOM 0 HG21 ILE A 7 2.328 -5.986 -2.725 1.00 21.24 H new ATOM 0 HG22 ILE A 7 0.598 -5.757 -3.077 1.00 21.24 H new ATOM 0 HG23 ILE A 7 1.807 -4.679 -3.815 1.00 21.24 H new ATOM 0 HD11 ILE A 7 4.327 -2.324 -2.186 1.00 65.13 H new ATOM 0 HD12 ILE A 7 3.529 -3.356 -3.396 1.00 65.13 H new ATOM 0 HD13 ILE A 7 2.679 -1.939 -2.736 1.00 65.13 H new ATOM 137 N ASN A 8 -1.423 -3.558 -3.576 1.00 44.22 N ATOM 138 CA ASN A 8 -2.534 -4.231 -4.234 1.00 40.33 C ATOM 139 C ASN A 8 -2.043 -4.737 -5.585 1.00 23.15 C ATOM 140 O ASN A 8 -1.889 -3.966 -6.541 1.00 22.12 O ATOM 141 CB ASN A 8 -3.717 -3.258 -4.412 1.00 42.41 C ATOM 142 CG ASN A 8 -4.913 -3.847 -5.163 1.00 65.04 C ATOM 143 OD1 ASN A 8 -5.168 -5.046 -5.110 1.00 35.44 O ATOM 144 ND2 ASN A 8 -5.662 -3.005 -5.860 1.00 34.43 N ATOM 0 H ASN A 8 -0.994 -2.832 -4.150 1.00 44.22 H new ATOM 0 HA ASN A 8 -2.884 -5.068 -3.629 1.00 40.33 H new ATOM 0 HB2 ASN A 8 -4.049 -2.925 -3.429 1.00 42.41 H new ATOM 0 HB3 ASN A 8 -3.368 -2.374 -4.946 1.00 42.41 H new ATOM 0 HD21 ASN A 8 -6.475 -3.349 -6.371 1.00 34.43 H new ATOM 0 HD22 ASN A 8 -5.425 -2.013 -5.886 1.00 34.43 H new ATOM 151 N THR A 9 -1.751 -6.029 -5.636 1.00 15.44 N ATOM 152 CA THR A 9 -1.444 -6.736 -6.872 1.00 54.45 C ATOM 153 C THR A 9 -2.275 -8.011 -6.942 1.00 45.32 C ATOM 154 O THR A 9 -2.468 -8.692 -5.922 1.00 50.42 O ATOM 155 CB THR A 9 0.095 -7.020 -7.039 1.00 72.02 C ATOM 156 OG1 THR A 9 0.346 -7.884 -8.166 1.00 35.33 O ATOM 157 CG2 THR A 9 0.736 -7.618 -5.800 1.00 25.45 C ATOM 0 H THR A 9 -1.720 -6.624 -4.808 1.00 15.44 H new ATOM 0 HA THR A 9 -1.711 -6.095 -7.712 1.00 54.45 H new ATOM 0 HB THR A 9 0.553 -6.045 -7.208 1.00 72.02 H new ATOM 0 HG1 THR A 9 -0.087 -7.515 -8.964 1.00 35.33 H new ATOM 0 HG21 THR A 9 1.797 -7.788 -5.985 1.00 25.45 H new ATOM 0 HG22 THR A 9 0.620 -6.931 -4.962 1.00 25.45 H new ATOM 0 HG23 THR A 9 0.253 -8.566 -5.562 1.00 25.45 H new ATOM 165 N ASN A 10 -2.791 -8.319 -8.148 1.00 62.12 N ATOM 166 CA ASN A 10 -3.574 -9.558 -8.376 1.00 1.04 C ATOM 167 C ASN A 10 -2.615 -10.762 -8.440 1.00 51.34 C ATOM 168 O ASN A 10 -3.025 -11.915 -8.291 1.00 12.02 O ATOM 169 CB ASN A 10 -4.433 -9.459 -9.662 1.00 63.30 C ATOM 170 CG ASN A 10 -5.473 -10.585 -9.799 1.00 60.32 C ATOM 171 OD1 ASN A 10 -6.597 -10.469 -9.313 1.00 41.13 O ATOM 172 ND2 ASN A 10 -5.109 -11.685 -10.443 1.00 13.31 N ATOM 0 H ASN A 10 -2.683 -7.734 -8.977 1.00 62.12 H new ATOM 0 HA ASN A 10 -4.265 -9.694 -7.544 1.00 1.04 H new ATOM 0 HB2 ASN A 10 -4.947 -8.498 -9.672 1.00 63.30 H new ATOM 0 HB3 ASN A 10 -3.775 -9.477 -10.530 1.00 63.30 H new ATOM 0 HD21 ASN A 10 -5.767 -12.458 -10.544 1.00 13.31 H new ATOM 0 HD22 ASN A 10 -4.171 -11.758 -10.838 1.00 13.31 H new ATOM 179 N ASN A 11 -1.327 -10.463 -8.665 1.00 25.25 N ATOM 180 CA ASN A 11 -0.245 -11.439 -8.553 1.00 10.21 C ATOM 181 C ASN A 11 0.077 -11.591 -7.051 1.00 42.14 C ATOM 182 O ASN A 11 0.889 -10.848 -6.498 1.00 73.43 O ATOM 183 CB ASN A 11 1.002 -10.968 -9.359 1.00 15.43 C ATOM 184 CG ASN A 11 0.693 -10.476 -10.781 1.00 51.23 C ATOM 185 OD1 ASN A 11 -0.261 -10.916 -11.421 1.00 64.14 O ATOM 186 ND2 ASN A 11 1.509 -9.556 -11.278 1.00 40.44 N ATOM 0 H ASN A 11 -1.010 -9.531 -8.931 1.00 25.25 H new ATOM 0 HA ASN A 11 -0.542 -12.401 -8.971 1.00 10.21 H new ATOM 0 HB2 ASN A 11 1.492 -10.165 -8.809 1.00 15.43 H new ATOM 0 HB3 ASN A 11 1.712 -11.793 -9.420 1.00 15.43 H new ATOM 0 HD21 ASN A 11 1.355 -9.192 -12.218 1.00 40.44 H new ATOM 0 HD22 ASN A 11 2.291 -9.213 -10.720 1.00 40.44 H new ATOM 193 N ASP A 12 -0.628 -12.517 -6.391 1.00 61.30 N ATOM 194 CA ASP A 12 -0.529 -12.727 -4.931 1.00 44.43 C ATOM 195 C ASP A 12 0.861 -13.292 -4.529 1.00 75.43 C ATOM 196 O ASP A 12 1.296 -13.150 -3.378 1.00 11.14 O ATOM 197 CB ASP A 12 -1.685 -13.653 -4.477 1.00 45.11 C ATOM 198 CG ASP A 12 -1.810 -13.777 -2.950 1.00 44.40 C ATOM 199 OD1 ASP A 12 -2.270 -12.810 -2.298 1.00 14.14 O ATOM 200 OD2 ASP A 12 -1.432 -14.830 -2.388 1.00 55.21 O ATOM 0 H ASP A 12 -1.286 -13.146 -6.850 1.00 61.30 H new ATOM 0 HA ASP A 12 -0.625 -11.768 -4.421 1.00 44.43 H new ATOM 0 HB2 ASP A 12 -2.624 -13.273 -4.880 1.00 45.11 H new ATOM 0 HB3 ASP A 12 -1.533 -14.645 -4.903 1.00 45.11 H new ATOM 205 N GLU A 13 1.547 -13.918 -5.505 1.00 44.43 N ATOM 206 CA GLU A 13 2.929 -14.415 -5.356 1.00 14.24 C ATOM 207 C GLU A 13 3.947 -13.257 -5.458 1.00 73.10 C ATOM 208 O GLU A 13 5.027 -13.322 -4.862 1.00 3.21 O ATOM 209 CB GLU A 13 3.223 -15.492 -6.430 1.00 70.51 C ATOM 210 CG GLU A 13 2.319 -16.739 -6.347 1.00 53.11 C ATOM 211 CD GLU A 13 2.575 -17.733 -7.494 1.00 45.52 C ATOM 212 OE1 GLU A 13 3.579 -18.478 -7.432 1.00 43.22 O ATOM 213 OE2 GLU A 13 1.801 -17.744 -8.475 1.00 40.03 O ATOM 0 H GLU A 13 1.153 -14.095 -6.429 1.00 44.43 H new ATOM 0 HA GLU A 13 3.030 -14.864 -4.368 1.00 14.24 H new ATOM 0 HB2 GLU A 13 3.112 -15.043 -7.417 1.00 70.51 H new ATOM 0 HB3 GLU A 13 4.263 -15.805 -6.337 1.00 70.51 H new ATOM 0 HG2 GLU A 13 2.484 -17.240 -5.393 1.00 53.11 H new ATOM 0 HG3 GLU A 13 1.274 -16.428 -6.367 1.00 53.11 H new ATOM 220 N LEU A 14 3.589 -12.201 -6.223 1.00 32.01 N ATOM 221 CA LEU A 14 4.410 -10.976 -6.341 1.00 11.02 C ATOM 222 C LEU A 14 4.451 -10.233 -4.993 1.00 24.11 C ATOM 223 O LEU A 14 5.449 -9.588 -4.678 1.00 34.12 O ATOM 224 CB LEU A 14 3.854 -10.057 -7.463 1.00 73.23 C ATOM 225 CG LEU A 14 4.560 -8.674 -7.691 1.00 51.02 C ATOM 226 CD1 LEU A 14 6.062 -8.835 -8.002 1.00 65.01 C ATOM 227 CD2 LEU A 14 3.840 -7.867 -8.795 1.00 23.42 C ATOM 0 H LEU A 14 2.730 -12.174 -6.772 1.00 32.01 H new ATOM 0 HA LEU A 14 5.428 -11.259 -6.609 1.00 11.02 H new ATOM 0 HB2 LEU A 14 3.893 -10.612 -8.401 1.00 73.23 H new ATOM 0 HB3 LEU A 14 2.803 -9.865 -7.249 1.00 73.23 H new ATOM 0 HG LEU A 14 4.490 -8.113 -6.759 1.00 51.02 H new ATOM 0 HD11 LEU A 14 6.510 -7.853 -8.153 1.00 65.01 H new ATOM 0 HD12 LEU A 14 6.555 -9.334 -7.168 1.00 65.01 H new ATOM 0 HD13 LEU A 14 6.184 -9.432 -8.906 1.00 65.01 H new ATOM 0 HD21 LEU A 14 4.346 -6.912 -8.936 1.00 23.42 H new ATOM 0 HD22 LEU A 14 3.859 -8.430 -9.728 1.00 23.42 H new ATOM 0 HD23 LEU A 14 2.806 -7.689 -8.500 1.00 23.42 H new ATOM 239 N ILE A 15 3.360 -10.354 -4.196 1.00 44.15 N ATOM 240 CA ILE A 15 3.306 -9.814 -2.821 1.00 3.42 C ATOM 241 C ILE A 15 4.403 -10.452 -1.955 1.00 43.33 C ATOM 242 O ILE A 15 5.035 -9.766 -1.162 1.00 31.32 O ATOM 243 CB ILE A 15 1.912 -10.055 -2.130 1.00 15.32 C ATOM 244 CG1 ILE A 15 0.767 -9.446 -2.985 1.00 42.14 C ATOM 245 CG2 ILE A 15 1.898 -9.484 -0.690 1.00 32.21 C ATOM 246 CD1 ILE A 15 -0.642 -9.660 -2.465 1.00 23.41 C ATOM 0 H ILE A 15 2.503 -10.824 -4.488 1.00 44.15 H new ATOM 0 HA ILE A 15 3.461 -8.738 -2.904 1.00 3.42 H new ATOM 0 HB ILE A 15 1.748 -11.130 -2.060 1.00 15.32 H new ATOM 0 HG12 ILE A 15 0.940 -8.374 -3.076 1.00 42.14 H new ATOM 0 HG13 ILE A 15 0.829 -9.865 -3.989 1.00 42.14 H new ATOM 0 HG21 ILE A 15 0.923 -9.664 -0.237 1.00 32.21 H new ATOM 0 HG22 ILE A 15 2.670 -9.974 -0.097 1.00 32.21 H new ATOM 0 HG23 ILE A 15 2.090 -8.412 -0.722 1.00 32.21 H new ATOM 0 HD11 ILE A 15 -1.355 -9.191 -3.143 1.00 23.41 H new ATOM 0 HD12 ILE A 15 -0.849 -10.728 -2.403 1.00 23.41 H new ATOM 0 HD13 ILE A 15 -0.736 -9.214 -1.475 1.00 23.41 H new ATOM 258 N LYS A 16 4.617 -11.770 -2.140 1.00 60.10 N ATOM 259 CA LYS A 16 5.634 -12.534 -1.391 1.00 44.04 C ATOM 260 C LYS A 16 7.055 -12.020 -1.700 1.00 53.25 C ATOM 261 O LYS A 16 7.932 -12.061 -0.836 1.00 63.13 O ATOM 262 CB LYS A 16 5.521 -14.054 -1.706 1.00 43.00 C ATOM 263 CG LYS A 16 4.134 -14.675 -1.407 1.00 73.34 C ATOM 264 CD LYS A 16 3.720 -14.571 0.080 1.00 22.03 C ATOM 265 CE LYS A 16 4.657 -15.339 1.033 1.00 24.42 C ATOM 266 NZ LYS A 16 4.677 -16.802 0.760 1.00 20.31 N ATOM 0 H LYS A 16 4.092 -12.332 -2.810 1.00 60.10 H new ATOM 0 HA LYS A 16 5.447 -12.387 -0.327 1.00 44.04 H new ATOM 0 HB2 LYS A 16 5.755 -14.211 -2.759 1.00 43.00 H new ATOM 0 HB3 LYS A 16 6.275 -14.588 -1.128 1.00 43.00 H new ATOM 0 HG2 LYS A 16 3.382 -14.179 -2.021 1.00 73.34 H new ATOM 0 HG3 LYS A 16 4.143 -15.725 -1.701 1.00 73.34 H new ATOM 0 HD2 LYS A 16 3.700 -13.521 0.371 1.00 22.03 H new ATOM 0 HD3 LYS A 16 2.706 -14.953 0.194 1.00 22.03 H new ATOM 0 HE2 LYS A 16 5.668 -14.942 0.941 1.00 24.42 H new ATOM 0 HE3 LYS A 16 4.341 -15.169 2.062 1.00 24.42 H new ATOM 0 HZ1 LYS A 16 5.255 -17.282 1.480 1.00 20.31 H new ATOM 0 HZ2 LYS A 16 3.706 -17.174 0.791 1.00 20.31 H new ATOM 0 HZ3 LYS A 16 5.084 -16.974 -0.181 1.00 20.31 H new ATOM 280 N LYS A 17 7.252 -11.524 -2.936 1.00 34.24 N ATOM 281 CA LYS A 17 8.530 -10.945 -3.387 1.00 32.10 C ATOM 282 C LYS A 17 8.725 -9.541 -2.792 1.00 65.22 C ATOM 283 O LYS A 17 9.813 -9.186 -2.322 1.00 43.33 O ATOM 284 CB LYS A 17 8.566 -10.880 -4.928 1.00 4.45 C ATOM 285 CG LYS A 17 8.320 -12.233 -5.630 1.00 35.22 C ATOM 286 CD LYS A 17 8.611 -12.175 -7.146 1.00 14.54 C ATOM 287 CE LYS A 17 10.084 -11.842 -7.447 1.00 61.14 C ATOM 288 NZ LYS A 17 10.377 -11.883 -8.898 1.00 44.22 N ATOM 0 H LYS A 17 6.526 -11.514 -3.652 1.00 34.24 H new ATOM 0 HA LYS A 17 9.343 -11.583 -3.040 1.00 32.10 H new ATOM 0 HB2 LYS A 17 7.815 -10.167 -5.267 1.00 4.45 H new ATOM 0 HB3 LYS A 17 9.536 -10.494 -5.241 1.00 4.45 H new ATOM 0 HG2 LYS A 17 8.949 -12.996 -5.172 1.00 35.22 H new ATOM 0 HG3 LYS A 17 7.285 -12.537 -5.473 1.00 35.22 H new ATOM 0 HD2 LYS A 17 8.358 -13.134 -7.599 1.00 14.54 H new ATOM 0 HD3 LYS A 17 7.970 -11.425 -7.608 1.00 14.54 H new ATOM 0 HE2 LYS A 17 10.318 -10.851 -7.058 1.00 61.14 H new ATOM 0 HE3 LYS A 17 10.729 -12.550 -6.927 1.00 61.14 H new ATOM 0 HZ1 LYS A 17 11.403 -11.975 -9.043 1.00 44.22 H new ATOM 0 HZ2 LYS A 17 9.892 -12.697 -9.327 1.00 44.22 H new ATOM 0 HZ3 LYS A 17 10.042 -11.006 -9.345 1.00 44.22 H new ATOM 302 N ILE A 18 7.634 -8.758 -2.825 1.00 3.43 N ATOM 303 CA ILE A 18 7.562 -7.415 -2.227 1.00 21.51 C ATOM 304 C ILE A 18 7.778 -7.499 -0.696 1.00 3.32 C ATOM 305 O ILE A 18 8.343 -6.580 -0.085 1.00 14.41 O ATOM 306 CB ILE A 18 6.181 -6.738 -2.588 1.00 64.23 C ATOM 307 CG1 ILE A 18 6.096 -6.482 -4.135 1.00 74.11 C ATOM 308 CG2 ILE A 18 5.940 -5.441 -1.784 1.00 51.22 C ATOM 309 CD1 ILE A 18 4.770 -5.936 -4.645 1.00 33.14 C ATOM 0 H ILE A 18 6.765 -9.045 -3.275 1.00 3.43 H new ATOM 0 HA ILE A 18 8.356 -6.792 -2.637 1.00 21.51 H new ATOM 0 HB ILE A 18 5.385 -7.426 -2.305 1.00 64.23 H new ATOM 0 HG12 ILE A 18 6.886 -5.784 -4.412 1.00 74.11 H new ATOM 0 HG13 ILE A 18 6.304 -7.419 -4.651 1.00 74.11 H new ATOM 0 HG21 ILE A 18 4.979 -5.011 -2.066 1.00 51.22 H new ATOM 0 HG22 ILE A 18 5.937 -5.669 -0.718 1.00 51.22 H new ATOM 0 HG23 ILE A 18 6.734 -4.726 -2.000 1.00 51.22 H new ATOM 0 HD11 ILE A 18 4.825 -5.798 -5.725 1.00 33.14 H new ATOM 0 HD12 ILE A 18 3.972 -6.640 -4.409 1.00 33.14 H new ATOM 0 HD13 ILE A 18 4.563 -4.979 -4.167 1.00 33.14 H new ATOM 321 N LYS A 19 7.357 -8.642 -0.105 1.00 53.32 N ATOM 322 CA LYS A 19 7.637 -8.971 1.290 1.00 31.31 C ATOM 323 C LYS A 19 9.143 -9.070 1.490 1.00 51.21 C ATOM 324 O LYS A 19 9.652 -8.392 2.343 1.00 4.43 O ATOM 325 CB LYS A 19 6.932 -10.279 1.734 1.00 64.24 C ATOM 326 CG LYS A 19 5.422 -10.119 2.024 1.00 45.41 C ATOM 327 CD LYS A 19 4.713 -11.466 2.286 1.00 12.10 C ATOM 328 CE LYS A 19 5.372 -12.297 3.403 1.00 24.12 C ATOM 329 NZ LYS A 19 5.368 -11.609 4.725 1.00 12.42 N ATOM 0 H LYS A 19 6.814 -9.355 -0.593 1.00 53.32 H new ATOM 0 HA LYS A 19 7.237 -8.174 1.917 1.00 31.31 H new ATOM 0 HB2 LYS A 19 7.063 -11.031 0.956 1.00 64.24 H new ATOM 0 HB3 LYS A 19 7.424 -10.658 2.630 1.00 64.24 H new ATOM 0 HG2 LYS A 19 5.291 -9.471 2.890 1.00 45.41 H new ATOM 0 HG3 LYS A 19 4.946 -9.622 1.179 1.00 45.41 H new ATOM 0 HD2 LYS A 19 3.673 -11.275 2.551 1.00 12.10 H new ATOM 0 HD3 LYS A 19 4.706 -12.049 1.365 1.00 12.10 H new ATOM 0 HE2 LYS A 19 4.850 -13.250 3.495 1.00 24.12 H new ATOM 0 HE3 LYS A 19 6.400 -12.523 3.121 1.00 24.12 H new ATOM 0 HZ1 LYS A 19 5.194 -12.305 5.478 1.00 12.42 H new ATOM 0 HZ2 LYS A 19 6.289 -11.153 4.882 1.00 12.42 H new ATOM 0 HZ3 LYS A 19 4.618 -10.888 4.739 1.00 12.42 H new ATOM 343 N LYS A 20 9.848 -9.860 0.641 1.00 1.24 N ATOM 344 CA LYS A 20 11.328 -10.050 0.749 1.00 62.44 C ATOM 345 C LYS A 20 12.058 -8.695 0.778 1.00 12.45 C ATOM 346 O LYS A 20 12.988 -8.502 1.567 1.00 12.12 O ATOM 347 CB LYS A 20 11.880 -10.908 -0.426 1.00 53.34 C ATOM 348 CG LYS A 20 11.187 -12.272 -0.618 1.00 54.32 C ATOM 349 CD LYS A 20 11.312 -13.215 0.606 1.00 45.42 C ATOM 350 CE LYS A 20 10.638 -14.581 0.360 1.00 5.35 C ATOM 351 NZ LYS A 20 11.213 -15.280 -0.824 1.00 33.33 N ATOM 0 H LYS A 20 9.421 -10.378 -0.127 1.00 1.24 H new ATOM 0 HA LYS A 20 11.514 -10.578 1.685 1.00 62.44 H new ATOM 0 HB2 LYS A 20 11.786 -10.336 -1.349 1.00 53.34 H new ATOM 0 HB3 LYS A 20 12.944 -11.078 -0.263 1.00 53.34 H new ATOM 0 HG2 LYS A 20 10.131 -12.106 -0.830 1.00 54.32 H new ATOM 0 HG3 LYS A 20 11.614 -12.766 -1.491 1.00 54.32 H new ATOM 0 HD2 LYS A 20 12.366 -13.368 0.838 1.00 45.42 H new ATOM 0 HD3 LYS A 20 10.859 -12.740 1.476 1.00 45.42 H new ATOM 0 HE2 LYS A 20 10.755 -15.208 1.244 1.00 5.35 H new ATOM 0 HE3 LYS A 20 9.568 -14.436 0.212 1.00 5.35 H new ATOM 0 HZ1 LYS A 20 10.898 -16.271 -0.829 1.00 33.33 H new ATOM 0 HZ2 LYS A 20 10.891 -14.810 -1.694 1.00 33.33 H new ATOM 0 HZ3 LYS A 20 12.251 -15.247 -0.776 1.00 33.33 H new ATOM 365 N GLU A 21 11.580 -7.765 -0.076 1.00 24.22 N ATOM 366 CA GLU A 21 12.091 -6.385 -0.144 1.00 34.15 C ATOM 367 C GLU A 21 11.948 -5.677 1.220 1.00 44.52 C ATOM 368 O GLU A 21 12.924 -5.158 1.768 1.00 31.13 O ATOM 369 CB GLU A 21 11.336 -5.570 -1.242 1.00 61.23 C ATOM 370 CG GLU A 21 11.292 -6.223 -2.644 1.00 15.24 C ATOM 371 CD GLU A 21 12.673 -6.611 -3.200 1.00 61.32 C ATOM 372 OE1 GLU A 21 13.405 -5.719 -3.680 1.00 35.32 O ATOM 373 OE2 GLU A 21 13.042 -7.809 -3.152 1.00 15.22 O ATOM 0 H GLU A 21 10.827 -7.953 -0.738 1.00 24.22 H new ATOM 0 HA GLU A 21 13.148 -6.435 -0.404 1.00 34.15 H new ATOM 0 HB2 GLU A 21 10.313 -5.402 -0.906 1.00 61.23 H new ATOM 0 HB3 GLU A 21 11.807 -4.591 -1.331 1.00 61.23 H new ATOM 0 HG2 GLU A 21 10.667 -7.115 -2.598 1.00 15.24 H new ATOM 0 HG3 GLU A 21 10.813 -5.534 -3.339 1.00 15.24 H new ATOM 380 N VAL A 22 10.720 -5.696 1.774 1.00 71.01 N ATOM 381 CA VAL A 22 10.388 -4.948 3.001 1.00 15.10 C ATOM 382 C VAL A 22 10.879 -5.659 4.288 1.00 63.41 C ATOM 383 O VAL A 22 11.103 -4.997 5.291 1.00 45.40 O ATOM 384 CB VAL A 22 8.848 -4.635 3.111 1.00 0.12 C ATOM 385 CG1 VAL A 22 8.327 -3.925 1.845 1.00 35.50 C ATOM 386 CG2 VAL A 22 8.011 -5.891 3.437 1.00 34.24 C ATOM 0 H VAL A 22 9.938 -6.225 1.388 1.00 71.01 H new ATOM 0 HA VAL A 22 10.925 -4.003 2.917 1.00 15.10 H new ATOM 0 HB VAL A 22 8.727 -3.952 3.952 1.00 0.12 H new ATOM 0 HG11 VAL A 22 7.261 -3.723 1.953 1.00 35.50 H new ATOM 0 HG12 VAL A 22 8.862 -2.985 1.709 1.00 35.50 H new ATOM 0 HG13 VAL A 22 8.489 -4.564 0.977 1.00 35.50 H new ATOM 0 HG21 VAL A 22 6.957 -5.619 3.502 1.00 34.24 H new ATOM 0 HG22 VAL A 22 8.147 -6.633 2.650 1.00 34.24 H new ATOM 0 HG23 VAL A 22 8.337 -6.308 4.390 1.00 34.24 H new ATOM 396 N GLU A 23 11.063 -6.998 4.236 1.00 75.23 N ATOM 397 CA GLU A 23 11.508 -7.817 5.393 1.00 41.22 C ATOM 398 C GLU A 23 12.968 -7.488 5.721 1.00 21.02 C ATOM 399 O GLU A 23 13.356 -7.402 6.890 1.00 11.42 O ATOM 400 CB GLU A 23 11.372 -9.344 5.109 1.00 1.21 C ATOM 401 CG GLU A 23 9.925 -9.886 4.959 1.00 72.13 C ATOM 402 CD GLU A 23 9.064 -9.946 6.239 1.00 31.02 C ATOM 403 OE1 GLU A 23 9.559 -9.660 7.354 1.00 63.03 O ATOM 404 OE2 GLU A 23 7.875 -10.333 6.126 1.00 73.44 O ATOM 0 H GLU A 23 10.907 -7.545 3.389 1.00 75.23 H new ATOM 0 HA GLU A 23 10.866 -7.575 6.240 1.00 41.22 H new ATOM 0 HB2 GLU A 23 11.920 -9.573 4.195 1.00 1.21 H new ATOM 0 HB3 GLU A 23 11.860 -9.888 5.918 1.00 1.21 H new ATOM 0 HG2 GLU A 23 9.405 -9.266 4.229 1.00 72.13 H new ATOM 0 HG3 GLU A 23 9.981 -10.891 4.541 1.00 72.13 H new ATOM 411 N ASN A 24 13.760 -7.296 4.650 1.00 2.30 N ATOM 412 CA ASN A 24 15.171 -6.883 4.743 1.00 23.10 C ATOM 413 C ASN A 24 15.300 -5.442 5.290 1.00 10.20 C ATOM 414 O ASN A 24 16.361 -5.054 5.789 1.00 60.40 O ATOM 415 CB ASN A 24 15.857 -7.003 3.353 1.00 63.23 C ATOM 416 CG ASN A 24 15.943 -8.448 2.828 1.00 25.44 C ATOM 417 OD1 ASN A 24 16.004 -9.405 3.600 1.00 53.30 O ATOM 418 ND2 ASN A 24 15.956 -8.614 1.516 1.00 4.01 N ATOM 0 H ASN A 24 13.437 -7.424 3.691 1.00 2.30 H new ATOM 0 HA ASN A 24 15.674 -7.550 5.444 1.00 23.10 H new ATOM 0 HB2 ASN A 24 15.308 -6.396 2.633 1.00 63.23 H new ATOM 0 HB3 ASN A 24 16.863 -6.589 3.417 1.00 63.23 H new ATOM 0 HD21 ASN A 24 16.018 -9.552 1.121 1.00 4.01 H new ATOM 0 HD22 ASN A 24 15.904 -7.804 0.899 1.00 4.01 H new ATOM 425 N GLN A 25 14.213 -4.653 5.165 1.00 33.43 N ATOM 426 CA GLN A 25 14.148 -3.256 5.654 1.00 21.30 C ATOM 427 C GLN A 25 13.342 -3.158 6.982 1.00 64.42 C ATOM 428 O GLN A 25 13.178 -2.062 7.528 1.00 73.54 O ATOM 429 CB GLN A 25 13.530 -2.349 4.548 1.00 73.01 C ATOM 430 CG GLN A 25 14.272 -2.380 3.187 1.00 64.44 C ATOM 431 CD GLN A 25 15.746 -1.956 3.273 1.00 21.32 C ATOM 432 OE1 GLN A 25 16.075 -0.776 3.159 1.00 41.23 O ATOM 433 NE2 GLN A 25 16.643 -2.916 3.449 1.00 34.21 N ATOM 0 H GLN A 25 13.350 -4.967 4.720 1.00 33.43 H new ATOM 0 HA GLN A 25 15.159 -2.910 5.871 1.00 21.30 H new ATOM 0 HB2 GLN A 25 12.495 -2.651 4.388 1.00 73.01 H new ATOM 0 HB3 GLN A 25 13.510 -1.321 4.911 1.00 73.01 H new ATOM 0 HG2 GLN A 25 14.217 -3.389 2.777 1.00 64.44 H new ATOM 0 HG3 GLN A 25 13.755 -1.723 2.487 1.00 64.44 H new ATOM 0 HE21 GLN A 25 16.341 -3.886 3.540 1.00 34.21 H new ATOM 0 HE22 GLN A 25 17.635 -2.685 3.493 1.00 34.21 H new ATOM 442 N GLY A 26 12.835 -4.309 7.473 1.00 53.31 N ATOM 443 CA GLY A 26 12.218 -4.400 8.803 1.00 72.23 C ATOM 444 C GLY A 26 10.782 -3.875 8.891 1.00 73.53 C ATOM 445 O GLY A 26 10.409 -3.268 9.896 1.00 10.23 O ATOM 0 H GLY A 26 12.844 -5.191 6.960 1.00 53.31 H new ATOM 0 HA2 GLY A 26 12.227 -5.443 9.120 1.00 72.23 H new ATOM 0 HA3 GLY A 26 12.835 -3.846 9.511 1.00 72.23 H new ATOM 449 N TYR A 27 9.978 -4.103 7.839 1.00 32.33 N ATOM 450 CA TYR A 27 8.538 -3.753 7.827 1.00 73.23 C ATOM 451 C TYR A 27 7.709 -4.933 8.352 1.00 60.21 C ATOM 452 O TYR A 27 7.936 -6.087 7.962 1.00 44.32 O ATOM 453 CB TYR A 27 8.039 -3.387 6.399 1.00 51.00 C ATOM 454 CG TYR A 27 8.526 -2.038 5.838 1.00 24.12 C ATOM 455 CD1 TYR A 27 9.886 -1.771 5.654 1.00 73.45 C ATOM 456 CD2 TYR A 27 7.612 -1.042 5.474 1.00 52.30 C ATOM 457 CE1 TYR A 27 10.313 -0.566 5.133 1.00 63.35 C ATOM 458 CE2 TYR A 27 8.038 0.163 4.960 1.00 73.24 C ATOM 459 CZ TYR A 27 9.385 0.396 4.790 1.00 71.23 C ATOM 460 OH TYR A 27 9.806 1.594 4.263 1.00 14.10 O ATOM 0 H TYR A 27 10.302 -4.534 6.973 1.00 32.33 H new ATOM 0 HA TYR A 27 8.412 -2.881 8.469 1.00 73.23 H new ATOM 0 HB2 TYR A 27 8.350 -4.176 5.714 1.00 51.00 H new ATOM 0 HB3 TYR A 27 6.949 -3.382 6.407 1.00 51.00 H new ATOM 0 HD1 TYR A 27 10.615 -2.520 5.924 1.00 73.45 H new ATOM 0 HD2 TYR A 27 6.554 -1.222 5.598 1.00 52.30 H new ATOM 0 HE1 TYR A 27 11.367 -0.377 4.995 1.00 63.35 H new ATOM 0 HE2 TYR A 27 7.319 0.922 4.691 1.00 73.24 H new ATOM 0 HH TYR A 27 10.381 1.426 3.488 1.00 14.10 H new ATOM 470 N GLN A 28 6.742 -4.616 9.212 1.00 22.02 N ATOM 471 CA GLN A 28 5.786 -5.581 9.756 1.00 42.40 C ATOM 472 C GLN A 28 4.647 -5.794 8.740 1.00 1.31 C ATOM 473 O GLN A 28 3.892 -4.860 8.456 1.00 51.42 O ATOM 474 CB GLN A 28 5.230 -5.031 11.091 1.00 15.12 C ATOM 475 CG GLN A 28 4.355 -6.013 11.896 1.00 22.34 C ATOM 476 CD GLN A 28 3.693 -5.379 13.125 1.00 4.42 C ATOM 477 OE1 GLN A 28 2.616 -5.801 13.543 1.00 33.14 O ATOM 478 NE2 GLN A 28 4.317 -4.359 13.713 1.00 63.40 N ATOM 0 H GLN A 28 6.598 -3.667 9.556 1.00 22.02 H new ATOM 0 HA GLN A 28 6.272 -6.539 9.940 1.00 42.40 H new ATOM 0 HB2 GLN A 28 6.069 -4.722 11.715 1.00 15.12 H new ATOM 0 HB3 GLN A 28 4.644 -4.137 10.880 1.00 15.12 H new ATOM 0 HG2 GLN A 28 3.580 -6.415 11.243 1.00 22.34 H new ATOM 0 HG3 GLN A 28 4.969 -6.854 12.218 1.00 22.34 H new ATOM 0 HE21 GLN A 28 5.210 -4.028 13.347 1.00 63.40 H new ATOM 0 HE22 GLN A 28 3.902 -3.910 14.529 1.00 63.40 H new ATOM 487 N VAL A 29 4.537 -7.016 8.200 1.00 31.23 N ATOM 488 CA VAL A 29 3.543 -7.340 7.161 1.00 40.24 C ATOM 489 C VAL A 29 2.170 -7.632 7.799 1.00 31.25 C ATOM 490 O VAL A 29 1.998 -8.632 8.496 1.00 12.53 O ATOM 491 CB VAL A 29 4.011 -8.542 6.256 1.00 32.22 C ATOM 492 CG1 VAL A 29 2.976 -8.853 5.140 1.00 43.24 C ATOM 493 CG2 VAL A 29 5.402 -8.239 5.649 1.00 4.52 C ATOM 0 H VAL A 29 5.128 -7.803 8.467 1.00 31.23 H new ATOM 0 HA VAL A 29 3.447 -6.469 6.513 1.00 40.24 H new ATOM 0 HB VAL A 29 4.086 -9.430 6.884 1.00 32.22 H new ATOM 0 HG11 VAL A 29 3.332 -9.687 4.536 1.00 43.24 H new ATOM 0 HG12 VAL A 29 2.020 -9.115 5.593 1.00 43.24 H new ATOM 0 HG13 VAL A 29 2.849 -7.975 4.507 1.00 43.24 H new ATOM 0 HG21 VAL A 29 5.717 -9.076 5.025 1.00 4.52 H new ATOM 0 HG22 VAL A 29 5.345 -7.335 5.042 1.00 4.52 H new ATOM 0 HG23 VAL A 29 6.125 -8.093 6.451 1.00 4.52 H new ATOM 503 N ARG A 30 1.249 -6.688 7.598 1.00 4.13 N ATOM 504 CA ARG A 30 -0.179 -6.799 7.949 1.00 52.41 C ATOM 505 C ARG A 30 -0.984 -7.207 6.688 1.00 14.21 C ATOM 506 O ARG A 30 -0.477 -7.059 5.568 1.00 3.33 O ATOM 507 CB ARG A 30 -0.634 -5.411 8.486 1.00 41.11 C ATOM 508 CG ARG A 30 -2.096 -5.301 8.971 1.00 62.24 C ATOM 509 CD ARG A 30 -2.375 -5.971 10.337 1.00 22.12 C ATOM 510 NE ARG A 30 -2.004 -7.397 10.395 1.00 24.14 N ATOM 511 CZ ARG A 30 -2.809 -8.435 10.102 1.00 64.42 C ATOM 512 NH1 ARG A 30 -4.068 -8.244 9.706 1.00 53.21 N ATOM 513 NH2 ARG A 30 -2.332 -9.666 10.173 1.00 64.53 N ATOM 0 H ARG A 30 1.479 -5.791 7.171 1.00 4.13 H new ATOM 0 HA ARG A 30 -0.348 -7.559 8.712 1.00 52.41 H new ATOM 0 HB2 ARG A 30 0.021 -5.135 9.313 1.00 41.11 H new ATOM 0 HB3 ARG A 30 -0.481 -4.674 7.698 1.00 41.11 H new ATOM 0 HG2 ARG A 30 -2.364 -4.247 9.037 1.00 62.24 H new ATOM 0 HG3 ARG A 30 -2.748 -5.750 8.222 1.00 62.24 H new ATOM 0 HD2 ARG A 30 -1.829 -5.433 11.112 1.00 22.12 H new ATOM 0 HD3 ARG A 30 -3.436 -5.873 10.568 1.00 22.12 H new ATOM 0 HE ARG A 30 -1.051 -7.617 10.683 1.00 24.14 H new ATOM 0 HH11 ARG A 30 -4.438 -7.297 9.620 1.00 53.21 H new ATOM 0 HH12 ARG A 30 -4.661 -9.045 9.489 1.00 53.21 H new ATOM 0 HH21 ARG A 30 -1.362 -9.822 10.448 1.00 64.53 H new ATOM 0 HH22 ARG A 30 -2.934 -10.460 9.953 1.00 64.53 H new ATOM 527 N ASP A 31 -2.233 -7.707 6.859 1.00 62.24 N ATOM 528 CA ASP A 31 -3.089 -8.105 5.720 1.00 33.15 C ATOM 529 C ASP A 31 -4.592 -7.937 6.051 1.00 23.40 C ATOM 530 O ASP A 31 -5.100 -8.497 7.029 1.00 0.12 O ATOM 531 CB ASP A 31 -2.773 -9.560 5.254 1.00 70.41 C ATOM 532 CG ASP A 31 -3.149 -10.664 6.256 1.00 64.05 C ATOM 533 OD1 ASP A 31 -2.455 -10.809 7.284 1.00 5.10 O ATOM 534 OD2 ASP A 31 -4.159 -11.375 6.031 1.00 11.34 O ATOM 0 H ASP A 31 -2.666 -7.843 7.772 1.00 62.24 H new ATOM 0 HA ASP A 31 -2.860 -7.434 4.892 1.00 33.15 H new ATOM 0 HB2 ASP A 31 -3.299 -9.747 4.318 1.00 70.41 H new ATOM 0 HB3 ASP A 31 -1.707 -9.633 5.041 1.00 70.41 H new ATOM 539 N VAL A 32 -5.292 -7.141 5.213 1.00 41.13 N ATOM 540 CA VAL A 32 -6.740 -6.868 5.354 1.00 15.25 C ATOM 541 C VAL A 32 -7.531 -7.824 4.451 1.00 44.22 C ATOM 542 O VAL A 32 -7.314 -7.846 3.236 1.00 13.11 O ATOM 543 CB VAL A 32 -7.111 -5.385 4.970 1.00 4.31 C ATOM 544 CG1 VAL A 32 -8.598 -5.087 5.281 1.00 51.22 C ATOM 545 CG2 VAL A 32 -6.178 -4.369 5.667 1.00 65.32 C ATOM 0 H VAL A 32 -4.867 -6.667 4.416 1.00 41.13 H new ATOM 0 HA VAL A 32 -6.997 -7.019 6.402 1.00 15.25 H new ATOM 0 HB VAL A 32 -6.965 -5.276 3.895 1.00 4.31 H new ATOM 0 HG11 VAL A 32 -8.828 -4.057 5.007 1.00 51.22 H new ATOM 0 HG12 VAL A 32 -9.232 -5.765 4.710 1.00 51.22 H new ATOM 0 HG13 VAL A 32 -8.782 -5.229 6.346 1.00 51.22 H new ATOM 0 HG21 VAL A 32 -6.463 -3.357 5.379 1.00 65.32 H new ATOM 0 HG22 VAL A 32 -6.265 -4.477 6.748 1.00 65.32 H new ATOM 0 HG23 VAL A 32 -5.147 -4.555 5.366 1.00 65.32 H new ATOM 555 N ASN A 33 -8.447 -8.611 5.042 1.00 43.44 N ATOM 556 CA ASN A 33 -9.242 -9.628 4.303 1.00 12.21 C ATOM 557 C ASN A 33 -10.683 -9.150 4.042 1.00 33.31 C ATOM 558 O ASN A 33 -11.258 -9.454 2.992 1.00 73.05 O ATOM 559 CB ASN A 33 -9.265 -10.962 5.091 1.00 10.22 C ATOM 560 CG ASN A 33 -7.873 -11.567 5.266 1.00 4.23 C ATOM 561 OD1 ASN A 33 -7.434 -12.396 4.464 1.00 61.21 O ATOM 562 ND2 ASN A 33 -7.152 -11.124 6.283 1.00 30.04 N ATOM 0 H ASN A 33 -8.662 -8.567 6.038 1.00 43.44 H new ATOM 0 HA ASN A 33 -8.761 -9.782 3.337 1.00 12.21 H new ATOM 0 HB2 ASN A 33 -9.709 -10.792 6.072 1.00 10.22 H new ATOM 0 HB3 ASN A 33 -9.904 -11.676 4.571 1.00 10.22 H new ATOM 0 HD21 ASN A 33 -6.202 -11.468 6.423 1.00 30.04 H new ATOM 0 HD22 ASN A 33 -7.546 -10.438 6.927 1.00 30.04 H new ATOM 569 N ASP A 34 -11.246 -8.393 4.997 1.00 72.10 N ATOM 570 CA ASP A 34 -12.693 -8.040 5.015 1.00 71.14 C ATOM 571 C ASP A 34 -12.895 -6.641 5.640 1.00 32.33 C ATOM 572 O ASP A 34 -11.944 -6.063 6.157 1.00 62.35 O ATOM 573 CB ASP A 34 -13.464 -9.154 5.797 1.00 34.24 C ATOM 574 CG ASP A 34 -14.993 -8.972 5.830 1.00 13.11 C ATOM 575 OD1 ASP A 34 -15.645 -9.152 4.779 1.00 11.30 O ATOM 576 OD2 ASP A 34 -15.538 -8.585 6.884 1.00 2.10 O ATOM 0 H ASP A 34 -10.721 -8.005 5.781 1.00 72.10 H new ATOM 0 HA ASP A 34 -13.089 -7.990 4.001 1.00 71.14 H new ATOM 0 HB2 ASP A 34 -13.236 -10.120 5.347 1.00 34.24 H new ATOM 0 HB3 ASP A 34 -13.093 -9.184 6.821 1.00 34.24 H new ATOM 581 N SER A 35 -14.131 -6.097 5.542 1.00 31.21 N ATOM 582 CA SER A 35 -14.504 -4.775 6.096 1.00 2.14 C ATOM 583 C SER A 35 -14.431 -4.754 7.642 1.00 35.52 C ATOM 584 O SER A 35 -14.031 -3.744 8.241 1.00 73.34 O ATOM 585 CB SER A 35 -15.924 -4.394 5.618 1.00 74.12 C ATOM 586 OG SER A 35 -16.241 -3.051 5.944 1.00 41.13 O ATOM 0 H SER A 35 -14.904 -6.568 5.072 1.00 31.21 H new ATOM 0 HA SER A 35 -13.786 -4.041 5.730 1.00 2.14 H new ATOM 0 HB2 SER A 35 -15.995 -4.534 4.539 1.00 74.12 H new ATOM 0 HB3 SER A 35 -16.654 -5.062 6.075 1.00 74.12 H new ATOM 0 HG SER A 35 -17.144 -2.842 5.627 1.00 41.13 H new ATOM 592 N ASP A 36 -14.825 -5.877 8.264 1.00 43.43 N ATOM 593 CA ASP A 36 -14.724 -6.085 9.720 1.00 72.22 C ATOM 594 C ASP A 36 -13.244 -6.076 10.141 1.00 72.45 C ATOM 595 O ASP A 36 -12.854 -5.375 11.087 1.00 44.02 O ATOM 596 CB ASP A 36 -15.426 -7.425 10.093 1.00 13.13 C ATOM 597 CG ASP A 36 -15.267 -7.850 11.563 1.00 32.02 C ATOM 598 OD1 ASP A 36 -15.741 -7.119 12.455 1.00 30.34 O ATOM 599 OD2 ASP A 36 -14.684 -8.927 11.832 1.00 75.12 O ATOM 0 H ASP A 36 -15.226 -6.673 7.768 1.00 43.43 H new ATOM 0 HA ASP A 36 -15.224 -5.279 10.257 1.00 72.22 H new ATOM 0 HB2 ASP A 36 -16.489 -7.337 9.868 1.00 13.13 H new ATOM 0 HB3 ASP A 36 -15.030 -8.216 9.456 1.00 13.13 H new ATOM 604 N GLU A 37 -12.432 -6.821 9.373 1.00 55.04 N ATOM 605 CA GLU A 37 -10.975 -6.868 9.551 1.00 53.45 C ATOM 606 C GLU A 37 -10.357 -5.470 9.339 1.00 44.33 C ATOM 607 O GLU A 37 -9.466 -5.074 10.081 1.00 14.12 O ATOM 608 CB GLU A 37 -10.362 -7.897 8.561 1.00 64.11 C ATOM 609 CG GLU A 37 -10.937 -9.326 8.679 1.00 72.34 C ATOM 610 CD GLU A 37 -10.660 -10.001 10.040 1.00 40.35 C ATOM 611 OE1 GLU A 37 -11.478 -9.852 10.984 1.00 54.12 O ATOM 612 OE2 GLU A 37 -9.617 -10.679 10.174 1.00 71.23 O ATOM 0 H GLU A 37 -12.770 -7.408 8.610 1.00 55.04 H new ATOM 0 HA GLU A 37 -10.751 -7.182 10.570 1.00 53.45 H new ATOM 0 HB2 GLU A 37 -10.519 -7.540 7.543 1.00 64.11 H new ATOM 0 HB3 GLU A 37 -9.285 -7.939 8.722 1.00 64.11 H new ATOM 0 HG2 GLU A 37 -12.014 -9.288 8.516 1.00 72.34 H new ATOM 0 HG3 GLU A 37 -10.516 -9.943 7.886 1.00 72.34 H new ATOM 619 N LEU A 38 -10.912 -4.717 8.360 1.00 51.11 N ATOM 620 CA LEU A 38 -10.424 -3.381 7.977 1.00 72.21 C ATOM 621 C LEU A 38 -10.457 -2.432 9.171 1.00 5.00 C ATOM 622 O LEU A 38 -9.422 -1.893 9.551 1.00 74.31 O ATOM 623 CB LEU A 38 -11.271 -2.799 6.807 1.00 24.11 C ATOM 624 CG LEU A 38 -10.882 -1.361 6.316 1.00 51.32 C ATOM 625 CD1 LEU A 38 -9.451 -1.332 5.757 1.00 13.13 C ATOM 626 CD2 LEU A 38 -11.897 -0.820 5.285 1.00 35.41 C ATOM 0 H LEU A 38 -11.716 -5.026 7.813 1.00 51.11 H new ATOM 0 HA LEU A 38 -9.392 -3.483 7.642 1.00 72.21 H new ATOM 0 HB2 LEU A 38 -11.199 -3.481 5.960 1.00 24.11 H new ATOM 0 HB3 LEU A 38 -12.316 -2.784 7.116 1.00 24.11 H new ATOM 0 HG LEU A 38 -10.914 -0.700 7.182 1.00 51.32 H new ATOM 0 HD11 LEU A 38 -9.211 -0.322 5.425 1.00 13.13 H new ATOM 0 HD12 LEU A 38 -8.750 -1.635 6.535 1.00 13.13 H new ATOM 0 HD13 LEU A 38 -9.376 -2.019 4.914 1.00 13.13 H new ATOM 0 HD21 LEU A 38 -11.596 0.178 4.967 1.00 35.41 H new ATOM 0 HD22 LEU A 38 -11.926 -1.483 4.420 1.00 35.41 H new ATOM 0 HD23 LEU A 38 -12.887 -0.773 5.739 1.00 35.41 H new ATOM 638 N LYS A 39 -11.654 -2.274 9.777 1.00 62.23 N ATOM 639 CA LYS A 39 -11.857 -1.335 10.892 1.00 42.23 C ATOM 640 C LYS A 39 -11.055 -1.762 12.148 1.00 62.13 C ATOM 641 O LYS A 39 -10.597 -0.902 12.905 1.00 42.43 O ATOM 642 CB LYS A 39 -13.382 -1.130 11.169 1.00 62.43 C ATOM 643 CG LYS A 39 -14.208 -2.403 11.512 1.00 4.55 C ATOM 644 CD LYS A 39 -14.214 -2.755 13.022 1.00 55.34 C ATOM 645 CE LYS A 39 -15.068 -3.996 13.335 1.00 40.14 C ATOM 646 NZ LYS A 39 -16.498 -3.804 12.969 1.00 1.53 N ATOM 0 H LYS A 39 -12.493 -2.788 9.509 1.00 62.23 H new ATOM 0 HA LYS A 39 -11.459 -0.362 10.606 1.00 42.23 H new ATOM 0 HB2 LYS A 39 -13.486 -0.425 11.993 1.00 62.43 H new ATOM 0 HB3 LYS A 39 -13.827 -0.662 10.291 1.00 62.43 H new ATOM 0 HG2 LYS A 39 -15.235 -2.260 11.178 1.00 4.55 H new ATOM 0 HG3 LYS A 39 -13.806 -3.248 10.953 1.00 4.55 H new ATOM 0 HD2 LYS A 39 -13.191 -2.929 13.355 1.00 55.34 H new ATOM 0 HD3 LYS A 39 -14.594 -1.905 13.588 1.00 55.34 H new ATOM 0 HE2 LYS A 39 -14.669 -4.855 12.795 1.00 40.14 H new ATOM 0 HE3 LYS A 39 -14.995 -4.226 14.398 1.00 40.14 H new ATOM 0 HZ1 LYS A 39 -17.060 -4.599 13.334 1.00 1.53 H new ATOM 0 HZ2 LYS A 39 -16.846 -2.915 13.383 1.00 1.53 H new ATOM 0 HZ3 LYS A 39 -16.589 -3.763 11.934 1.00 1.53 H new ATOM 660 N LYS A 40 -10.880 -3.094 12.347 1.00 43.43 N ATOM 661 CA LYS A 40 -9.994 -3.640 13.411 1.00 24.11 C ATOM 662 C LYS A 40 -8.544 -3.135 13.259 1.00 41.44 C ATOM 663 O LYS A 40 -7.916 -2.680 14.222 1.00 33.23 O ATOM 664 CB LYS A 40 -10.009 -5.174 13.371 1.00 4.24 C ATOM 665 CG LYS A 40 -11.325 -5.797 13.853 1.00 43.23 C ATOM 666 CD LYS A 40 -11.313 -7.318 13.669 1.00 15.21 C ATOM 667 CE LYS A 40 -12.560 -8.009 14.221 1.00 30.12 C ATOM 668 NZ LYS A 40 -12.587 -9.454 13.869 1.00 72.32 N ATOM 0 H LYS A 40 -11.340 -3.810 11.785 1.00 43.43 H new ATOM 0 HA LYS A 40 -10.376 -3.291 14.370 1.00 24.11 H new ATOM 0 HB2 LYS A 40 -9.816 -5.503 12.350 1.00 4.24 H new ATOM 0 HB3 LYS A 40 -9.193 -5.551 13.987 1.00 4.24 H new ATOM 0 HG2 LYS A 40 -11.482 -5.556 14.904 1.00 43.23 H new ATOM 0 HG3 LYS A 40 -12.159 -5.367 13.299 1.00 43.23 H new ATOM 0 HD2 LYS A 40 -11.220 -7.547 12.607 1.00 15.21 H new ATOM 0 HD3 LYS A 40 -10.432 -7.729 14.162 1.00 15.21 H new ATOM 0 HE2 LYS A 40 -12.589 -7.897 15.305 1.00 30.12 H new ATOM 0 HE3 LYS A 40 -13.451 -7.521 13.827 1.00 30.12 H new ATOM 0 HZ1 LYS A 40 -13.304 -9.619 13.134 1.00 72.32 H new ATOM 0 HZ2 LYS A 40 -11.653 -9.742 13.512 1.00 72.32 H new ATOM 0 HZ3 LYS A 40 -12.822 -10.013 14.714 1.00 72.32 H new ATOM 682 N GLU A 41 -8.038 -3.241 12.027 1.00 2.21 N ATOM 683 CA GLU A 41 -6.661 -2.867 11.667 1.00 32.22 C ATOM 684 C GLU A 41 -6.506 -1.336 11.585 1.00 22.42 C ATOM 685 O GLU A 41 -5.405 -0.812 11.770 1.00 13.22 O ATOM 686 CB GLU A 41 -6.289 -3.575 10.336 1.00 20.13 C ATOM 687 CG GLU A 41 -6.315 -5.121 10.458 1.00 75.42 C ATOM 688 CD GLU A 41 -6.248 -5.860 9.115 1.00 14.11 C ATOM 689 OE1 GLU A 41 -5.200 -5.794 8.462 1.00 70.54 O ATOM 690 OE2 GLU A 41 -7.237 -6.516 8.715 1.00 2.11 O ATOM 0 H GLU A 41 -8.579 -3.594 11.238 1.00 2.21 H new ATOM 0 HA GLU A 41 -5.968 -3.197 12.441 1.00 32.22 H new ATOM 0 HB2 GLU A 41 -6.984 -3.264 9.556 1.00 20.13 H new ATOM 0 HB3 GLU A 41 -5.295 -3.255 10.024 1.00 20.13 H new ATOM 0 HG2 GLU A 41 -5.476 -5.439 11.077 1.00 75.42 H new ATOM 0 HG3 GLU A 41 -7.226 -5.418 10.978 1.00 75.42 H new ATOM 697 N MET A 42 -7.633 -0.629 11.350 1.00 64.12 N ATOM 698 CA MET A 42 -7.681 0.844 11.378 1.00 74.41 C ATOM 699 C MET A 42 -7.550 1.349 12.819 1.00 74.22 C ATOM 700 O MET A 42 -6.997 2.432 13.059 1.00 0.45 O ATOM 701 CB MET A 42 -8.990 1.392 10.732 1.00 22.44 C ATOM 702 CG MET A 42 -9.049 1.273 9.198 1.00 24.12 C ATOM 703 SD MET A 42 -7.652 2.071 8.370 1.00 73.54 S ATOM 704 CE MET A 42 -7.650 3.709 9.104 1.00 20.31 C ATOM 0 H MET A 42 -8.530 -1.064 11.137 1.00 64.12 H new ATOM 0 HA MET A 42 -6.842 1.214 10.789 1.00 74.41 H new ATOM 0 HB2 MET A 42 -9.840 0.858 11.157 1.00 22.44 H new ATOM 0 HB3 MET A 42 -9.103 2.441 11.006 1.00 22.44 H new ATOM 0 HG2 MET A 42 -9.073 0.219 8.922 1.00 24.12 H new ATOM 0 HG3 MET A 42 -9.978 1.718 8.840 1.00 24.12 H new ATOM 0 HE1 MET A 42 -7.362 4.444 8.352 1.00 20.31 H new ATOM 0 HE2 MET A 42 -8.648 3.942 9.476 1.00 20.31 H new ATOM 0 HE3 MET A 42 -6.939 3.737 9.930 1.00 20.31 H new ATOM 714 N LYS A 43 -8.066 0.547 13.777 1.00 14.24 N ATOM 715 CA LYS A 43 -7.919 0.836 15.210 1.00 13.44 C ATOM 716 C LYS A 43 -6.438 0.774 15.601 1.00 15.11 C ATOM 717 O LYS A 43 -5.989 1.575 16.400 1.00 72.24 O ATOM 718 CB LYS A 43 -8.771 -0.136 16.096 1.00 14.23 C ATOM 719 CG LYS A 43 -9.812 0.574 16.991 1.00 2.22 C ATOM 720 CD LYS A 43 -11.008 1.125 16.189 1.00 54.52 C ATOM 721 CE LYS A 43 -11.923 0.010 15.655 1.00 61.25 C ATOM 722 NZ LYS A 43 -12.524 -0.797 16.750 1.00 4.24 N ATOM 0 H LYS A 43 -8.588 -0.306 13.577 1.00 14.24 H new ATOM 0 HA LYS A 43 -8.297 1.842 15.392 1.00 13.44 H new ATOM 0 HB2 LYS A 43 -9.288 -0.843 15.447 1.00 14.23 H new ATOM 0 HB3 LYS A 43 -8.099 -0.716 16.729 1.00 14.23 H new ATOM 0 HG2 LYS A 43 -10.176 -0.126 17.744 1.00 2.22 H new ATOM 0 HG3 LYS A 43 -9.329 1.393 17.524 1.00 2.22 H new ATOM 0 HD2 LYS A 43 -11.589 1.795 16.823 1.00 54.52 H new ATOM 0 HD3 LYS A 43 -10.638 1.719 15.353 1.00 54.52 H new ATOM 0 HE2 LYS A 43 -12.718 0.451 15.053 1.00 61.25 H new ATOM 0 HE3 LYS A 43 -11.350 -0.643 14.997 1.00 61.25 H new ATOM 0 HZ1 LYS A 43 -13.314 -1.358 16.374 1.00 4.24 H new ATOM 0 HZ2 LYS A 43 -11.804 -1.435 17.147 1.00 4.24 H new ATOM 0 HZ3 LYS A 43 -12.874 -0.163 17.496 1.00 4.24 H new ATOM 736 N LYS A 44 -5.693 -0.179 15.002 1.00 2.35 N ATOM 737 CA LYS A 44 -4.239 -0.305 15.211 1.00 64.25 C ATOM 738 C LYS A 44 -3.493 0.925 14.667 1.00 3.32 C ATOM 739 O LYS A 44 -2.502 1.367 15.248 1.00 30.53 O ATOM 740 CB LYS A 44 -3.688 -1.592 14.540 1.00 75.14 C ATOM 741 CG LYS A 44 -4.221 -2.924 15.116 1.00 12.24 C ATOM 742 CD LYS A 44 -3.957 -3.098 16.632 1.00 31.51 C ATOM 743 CE LYS A 44 -2.490 -2.846 17.045 1.00 23.21 C ATOM 744 NZ LYS A 44 -1.515 -3.644 16.258 1.00 23.13 N ATOM 0 H LYS A 44 -6.080 -0.876 14.366 1.00 2.35 H new ATOM 0 HA LYS A 44 -4.070 -0.370 16.286 1.00 64.25 H new ATOM 0 HB2 LYS A 44 -3.924 -1.556 13.477 1.00 75.14 H new ATOM 0 HB3 LYS A 44 -2.601 -1.588 14.625 1.00 75.14 H new ATOM 0 HG2 LYS A 44 -5.294 -2.985 14.934 1.00 12.24 H new ATOM 0 HG3 LYS A 44 -3.759 -3.752 14.579 1.00 12.24 H new ATOM 0 HD2 LYS A 44 -4.602 -2.414 17.184 1.00 31.51 H new ATOM 0 HD3 LYS A 44 -4.238 -4.109 16.926 1.00 31.51 H new ATOM 0 HE2 LYS A 44 -2.263 -1.787 16.926 1.00 23.21 H new ATOM 0 HE3 LYS A 44 -2.372 -3.080 18.103 1.00 23.21 H new ATOM 0 HZ1 LYS A 44 -0.552 -3.300 16.447 1.00 23.13 H new ATOM 0 HZ2 LYS A 44 -1.585 -4.645 16.531 1.00 23.13 H new ATOM 0 HZ3 LYS A 44 -1.725 -3.546 15.244 1.00 23.13 H new ATOM 758 N LEU A 45 -3.980 1.464 13.537 1.00 3.35 N ATOM 759 CA LEU A 45 -3.421 2.684 12.930 1.00 64.31 C ATOM 760 C LEU A 45 -3.717 3.924 13.810 1.00 43.31 C ATOM 761 O LEU A 45 -2.949 4.896 13.802 1.00 74.43 O ATOM 762 CB LEU A 45 -3.959 2.865 11.484 1.00 73.23 C ATOM 763 CG LEU A 45 -3.692 1.680 10.497 1.00 35.21 C ATOM 764 CD1 LEU A 45 -4.228 1.986 9.087 1.00 21.54 C ATOM 765 CD2 LEU A 45 -2.199 1.295 10.448 1.00 12.30 C ATOM 0 H LEU A 45 -4.767 1.070 13.021 1.00 3.35 H new ATOM 0 HA LEU A 45 -2.338 2.579 12.872 1.00 64.31 H new ATOM 0 HB2 LEU A 45 -5.035 3.032 11.537 1.00 73.23 H new ATOM 0 HB3 LEU A 45 -3.516 3.768 11.064 1.00 73.23 H new ATOM 0 HG LEU A 45 -4.239 0.820 10.883 1.00 35.21 H new ATOM 0 HD11 LEU A 45 -4.025 1.141 8.429 1.00 21.54 H new ATOM 0 HD12 LEU A 45 -5.303 2.157 9.136 1.00 21.54 H new ATOM 0 HD13 LEU A 45 -3.736 2.877 8.696 1.00 21.54 H new ATOM 0 HD21 LEU A 45 -2.059 0.469 9.751 1.00 12.30 H new ATOM 0 HD22 LEU A 45 -1.613 2.152 10.117 1.00 12.30 H new ATOM 0 HD23 LEU A 45 -1.869 0.991 11.441 1.00 12.30 H new ATOM 777 N ALA A 46 -4.832 3.863 14.571 1.00 72.51 N ATOM 778 CA ALA A 46 -5.231 4.917 15.525 1.00 34.51 C ATOM 779 C ALA A 46 -4.439 4.819 16.853 1.00 44.30 C ATOM 780 O ALA A 46 -4.015 5.844 17.406 1.00 64.43 O ATOM 781 CB ALA A 46 -6.748 4.838 15.784 1.00 44.13 C ATOM 0 H ALA A 46 -5.482 3.077 14.539 1.00 72.51 H new ATOM 0 HA ALA A 46 -4.994 5.884 15.082 1.00 34.51 H new ATOM 0 HB1 ALA A 46 -7.038 5.618 16.489 1.00 44.13 H new ATOM 0 HB2 ALA A 46 -7.285 4.979 14.846 1.00 44.13 H new ATOM 0 HB3 ALA A 46 -6.996 3.862 16.201 1.00 44.13 H new ATOM 787 N GLU A 47 -4.225 3.577 17.337 1.00 72.43 N ATOM 788 CA GLU A 47 -3.579 3.296 18.640 1.00 12.22 C ATOM 789 C GLU A 47 -2.059 3.537 18.576 1.00 52.41 C ATOM 790 O GLU A 47 -1.494 4.258 19.409 1.00 2.21 O ATOM 791 CB GLU A 47 -3.862 1.828 19.071 1.00 13.44 C ATOM 792 CG GLU A 47 -5.323 1.523 19.469 1.00 3.30 C ATOM 793 CD GLU A 47 -5.754 2.206 20.778 1.00 62.52 C ATOM 794 OE1 GLU A 47 -5.443 1.672 21.868 1.00 44.42 O ATOM 795 OE2 GLU A 47 -6.387 3.282 20.731 1.00 44.41 O ATOM 0 H GLU A 47 -4.497 2.734 16.832 1.00 72.43 H new ATOM 0 HA GLU A 47 -4.001 3.979 19.377 1.00 12.22 H new ATOM 0 HB2 GLU A 47 -3.581 1.166 18.252 1.00 13.44 H new ATOM 0 HB3 GLU A 47 -3.215 1.584 19.914 1.00 13.44 H new ATOM 0 HG2 GLU A 47 -5.985 1.844 18.665 1.00 3.30 H new ATOM 0 HG3 GLU A 47 -5.446 0.445 19.572 1.00 3.30 H new ATOM 802 N GLU A 48 -1.414 2.909 17.581 1.00 22.04 N ATOM 803 CA GLU A 48 0.043 2.976 17.396 1.00 45.23 C ATOM 804 C GLU A 48 0.413 4.323 16.750 1.00 61.53 C ATOM 805 O GLU A 48 0.309 4.500 15.531 1.00 41.23 O ATOM 806 CB GLU A 48 0.530 1.779 16.534 1.00 0.55 C ATOM 807 CG GLU A 48 0.122 0.390 17.079 1.00 23.30 C ATOM 808 CD GLU A 48 0.359 -0.764 16.080 1.00 15.31 C ATOM 809 OE1 GLU A 48 -0.074 -0.638 14.911 1.00 34.35 O ATOM 810 OE2 GLU A 48 0.925 -1.815 16.464 1.00 72.25 O ATOM 0 H GLU A 48 -1.889 2.339 16.881 1.00 22.04 H new ATOM 0 HA GLU A 48 0.541 2.909 18.363 1.00 45.23 H new ATOM 0 HB2 GLU A 48 0.135 1.890 15.524 1.00 0.55 H new ATOM 0 HB3 GLU A 48 1.617 1.821 16.457 1.00 0.55 H new ATOM 0 HG2 GLU A 48 0.682 0.189 17.992 1.00 23.30 H new ATOM 0 HG3 GLU A 48 -0.933 0.412 17.351 1.00 23.30 H new ATOM 817 N LYS A 49 0.756 5.303 17.598 1.00 3.11 N ATOM 818 CA LYS A 49 1.242 6.626 17.167 1.00 74.04 C ATOM 819 C LYS A 49 2.784 6.629 17.105 1.00 21.30 C ATOM 820 O LYS A 49 3.394 7.508 16.477 1.00 2.44 O ATOM 821 CB LYS A 49 0.703 7.717 18.129 1.00 41.11 C ATOM 822 CG LYS A 49 0.962 9.175 17.672 1.00 35.52 C ATOM 823 CD LYS A 49 0.200 10.221 18.515 1.00 22.04 C ATOM 824 CE LYS A 49 -1.333 10.035 18.453 1.00 51.55 C ATOM 825 NZ LYS A 49 -1.853 10.055 17.054 1.00 42.12 N ATOM 0 H LYS A 49 0.704 5.201 18.612 1.00 3.11 H new ATOM 0 HA LYS A 49 0.872 6.847 16.166 1.00 74.04 H new ATOM 0 HB2 LYS A 49 -0.371 7.575 18.251 1.00 41.11 H new ATOM 0 HB3 LYS A 49 1.157 7.573 19.109 1.00 41.11 H new ATOM 0 HG2 LYS A 49 2.031 9.382 17.727 1.00 35.52 H new ATOM 0 HG3 LYS A 49 0.671 9.278 16.627 1.00 35.52 H new ATOM 0 HD2 LYS A 49 0.528 10.155 19.552 1.00 22.04 H new ATOM 0 HD3 LYS A 49 0.455 11.221 18.163 1.00 22.04 H new ATOM 0 HE2 LYS A 49 -1.601 9.089 18.924 1.00 51.55 H new ATOM 0 HE3 LYS A 49 -1.816 10.825 19.028 1.00 51.55 H new ATOM 0 HZ1 LYS A 49 -2.893 10.046 17.070 1.00 42.12 H new ATOM 0 HZ2 LYS A 49 -1.522 10.915 16.573 1.00 42.12 H new ATOM 0 HZ3 LYS A 49 -1.507 9.218 16.543 1.00 42.12 H new ATOM 839 N ASN A 50 3.395 5.615 17.751 1.00 63.11 N ATOM 840 CA ASN A 50 4.851 5.383 17.724 1.00 0.21 C ATOM 841 C ASN A 50 5.326 5.094 16.278 1.00 30.23 C ATOM 842 O ASN A 50 4.571 4.524 15.473 1.00 60.41 O ATOM 843 CB ASN A 50 5.214 4.205 18.673 1.00 33.51 C ATOM 844 CG ASN A 50 6.726 3.933 18.798 1.00 64.11 C ATOM 845 OD1 ASN A 50 7.549 4.844 18.682 1.00 3.22 O ATOM 846 ND2 ASN A 50 7.101 2.687 19.048 1.00 42.54 N ATOM 0 H ASN A 50 2.887 4.930 18.310 1.00 63.11 H new ATOM 0 HA ASN A 50 5.362 6.281 18.072 1.00 0.21 H new ATOM 0 HB2 ASN A 50 4.812 4.415 19.664 1.00 33.51 H new ATOM 0 HB3 ASN A 50 4.723 3.301 18.315 1.00 33.51 H new ATOM 0 HD21 ASN A 50 8.091 2.463 19.149 1.00 42.54 H new ATOM 0 HD22 ASN A 50 6.400 1.952 19.139 1.00 42.54 H new ATOM 853 N PHE A 51 6.565 5.507 15.966 1.00 41.33 N ATOM 854 CA PHE A 51 7.159 5.357 14.630 1.00 74.20 C ATOM 855 C PHE A 51 7.352 3.866 14.290 1.00 61.32 C ATOM 856 O PHE A 51 8.059 3.153 15.016 1.00 71.03 O ATOM 857 CB PHE A 51 8.509 6.124 14.563 1.00 31.03 C ATOM 858 CG PHE A 51 9.188 6.126 13.186 1.00 13.32 C ATOM 859 CD1 PHE A 51 8.767 7.006 12.185 1.00 73.12 C ATOM 860 CD2 PHE A 51 10.240 5.251 12.895 1.00 25.32 C ATOM 861 CE1 PHE A 51 9.373 7.008 10.945 1.00 1.41 C ATOM 862 CE2 PHE A 51 10.843 5.255 11.653 1.00 12.43 C ATOM 863 CZ PHE A 51 10.409 6.131 10.679 1.00 25.12 C ATOM 0 H PHE A 51 7.186 5.957 16.639 1.00 41.33 H new ATOM 0 HA PHE A 51 6.482 5.784 13.890 1.00 74.20 H new ATOM 0 HB2 PHE A 51 8.338 7.156 14.868 1.00 31.03 H new ATOM 0 HB3 PHE A 51 9.195 5.686 15.289 1.00 31.03 H new ATOM 0 HD1 PHE A 51 7.958 7.693 12.384 1.00 73.12 H new ATOM 0 HD2 PHE A 51 10.585 4.563 13.652 1.00 25.32 H new ATOM 0 HE1 PHE A 51 9.038 7.695 10.182 1.00 1.41 H new ATOM 0 HE2 PHE A 51 11.654 4.573 11.444 1.00 12.43 H new ATOM 0 HZ PHE A 51 10.879 6.132 9.707 1.00 25.12 H new ATOM 873 N GLU A 52 6.713 3.405 13.198 1.00 31.21 N ATOM 874 CA GLU A 52 6.836 2.014 12.735 1.00 64.13 C ATOM 875 C GLU A 52 6.555 1.909 11.225 1.00 20.34 C ATOM 876 O GLU A 52 5.733 2.637 10.674 1.00 64.11 O ATOM 877 CB GLU A 52 5.893 1.067 13.541 1.00 22.25 C ATOM 878 CG GLU A 52 6.084 -0.444 13.238 1.00 64.45 C ATOM 879 CD GLU A 52 7.528 -0.935 13.497 1.00 63.10 C ATOM 880 OE1 GLU A 52 7.856 -1.246 14.660 1.00 2.50 O ATOM 881 OE2 GLU A 52 8.349 -0.995 12.535 1.00 40.41 O ATOM 0 H GLU A 52 6.103 3.982 12.618 1.00 31.21 H new ATOM 0 HA GLU A 52 7.863 1.695 12.912 1.00 64.13 H new ATOM 0 HB2 GLU A 52 6.055 1.234 14.606 1.00 22.25 H new ATOM 0 HB3 GLU A 52 4.859 1.339 13.329 1.00 22.25 H new ATOM 0 HG2 GLU A 52 5.394 -1.022 13.853 1.00 64.45 H new ATOM 0 HG3 GLU A 52 5.822 -0.636 12.198 1.00 64.45 H new ATOM 888 N LYS A 53 7.271 0.984 10.591 1.00 62.32 N ATOM 889 CA LYS A 53 7.162 0.655 9.170 1.00 75.21 C ATOM 890 C LYS A 53 6.242 -0.574 9.013 1.00 24.45 C ATOM 891 O LYS A 53 6.526 -1.629 9.587 1.00 65.23 O ATOM 892 CB LYS A 53 8.583 0.347 8.651 1.00 14.05 C ATOM 893 CG LYS A 53 9.592 1.519 8.783 1.00 62.53 C ATOM 894 CD LYS A 53 11.070 1.054 8.660 1.00 21.54 C ATOM 895 CE LYS A 53 11.646 0.476 9.979 1.00 55.24 C ATOM 896 NZ LYS A 53 10.849 -0.650 10.547 1.00 51.44 N ATOM 0 H LYS A 53 7.972 0.420 11.072 1.00 62.32 H new ATOM 0 HA LYS A 53 6.735 1.480 8.599 1.00 75.21 H new ATOM 0 HB2 LYS A 53 8.974 -0.514 9.194 1.00 14.05 H new ATOM 0 HB3 LYS A 53 8.517 0.059 7.602 1.00 14.05 H new ATOM 0 HG2 LYS A 53 9.383 2.261 8.012 1.00 62.53 H new ATOM 0 HG3 LYS A 53 9.449 2.010 9.746 1.00 62.53 H new ATOM 0 HD2 LYS A 53 11.141 0.297 7.879 1.00 21.54 H new ATOM 0 HD3 LYS A 53 11.683 1.898 8.343 1.00 21.54 H new ATOM 0 HE2 LYS A 53 12.664 0.132 9.799 1.00 55.24 H new ATOM 0 HE3 LYS A 53 11.705 1.275 10.718 1.00 55.24 H new ATOM 0 HZ1 LYS A 53 11.331 -1.027 11.388 1.00 51.44 H new ATOM 0 HZ2 LYS A 53 9.904 -0.307 10.814 1.00 51.44 H new ATOM 0 HZ3 LYS A 53 10.755 -1.403 9.835 1.00 51.44 H new ATOM 910 N ILE A 54 5.138 -0.426 8.260 1.00 22.33 N ATOM 911 CA ILE A 54 4.133 -1.497 8.056 1.00 41.23 C ATOM 912 C ILE A 54 3.915 -1.734 6.547 1.00 70.34 C ATOM 913 O ILE A 54 3.825 -0.772 5.781 1.00 60.25 O ATOM 914 CB ILE A 54 2.743 -1.121 8.717 1.00 74.33 C ATOM 915 CG1 ILE A 54 2.913 -0.712 10.214 1.00 21.23 C ATOM 916 CG2 ILE A 54 1.723 -2.284 8.586 1.00 14.25 C ATOM 917 CD1 ILE A 54 1.637 -0.229 10.891 1.00 43.45 C ATOM 0 H ILE A 54 4.912 0.441 7.772 1.00 22.33 H new ATOM 0 HA ILE A 54 4.515 -2.401 8.531 1.00 41.23 H new ATOM 0 HB ILE A 54 2.352 -0.261 8.174 1.00 74.33 H new ATOM 0 HG12 ILE A 54 3.301 -1.567 10.768 1.00 21.23 H new ATOM 0 HG13 ILE A 54 3.663 0.076 10.278 1.00 21.23 H new ATOM 0 HG21 ILE A 54 0.780 -1.995 9.049 1.00 14.25 H new ATOM 0 HG22 ILE A 54 1.557 -2.505 7.532 1.00 14.25 H new ATOM 0 HG23 ILE A 54 2.115 -3.170 9.085 1.00 14.25 H new ATOM 0 HD11 ILE A 54 1.852 0.033 11.927 1.00 43.45 H new ATOM 0 HD12 ILE A 54 1.256 0.647 10.367 1.00 43.45 H new ATOM 0 HD13 ILE A 54 0.889 -1.021 10.864 1.00 43.45 H new ATOM 929 N LEU A 55 3.842 -3.009 6.131 1.00 45.44 N ATOM 930 CA LEU A 55 3.409 -3.397 4.776 1.00 63.22 C ATOM 931 C LEU A 55 1.936 -3.844 4.847 1.00 23.15 C ATOM 932 O LEU A 55 1.643 -4.856 5.478 1.00 72.03 O ATOM 933 CB LEU A 55 4.275 -4.568 4.225 1.00 34.32 C ATOM 934 CG LEU A 55 3.962 -4.996 2.745 1.00 22.04 C ATOM 935 CD1 LEU A 55 4.503 -3.962 1.747 1.00 45.20 C ATOM 936 CD2 LEU A 55 4.484 -6.410 2.425 1.00 73.23 C ATOM 0 H LEU A 55 4.082 -3.802 6.725 1.00 45.44 H new ATOM 0 HA LEU A 55 3.525 -2.544 4.107 1.00 63.22 H new ATOM 0 HB2 LEU A 55 5.325 -4.283 4.289 1.00 34.32 H new ATOM 0 HB3 LEU A 55 4.140 -5.434 4.873 1.00 34.32 H new ATOM 0 HG LEU A 55 2.877 -5.030 2.643 1.00 22.04 H new ATOM 0 HD11 LEU A 55 4.273 -4.282 0.731 1.00 45.20 H new ATOM 0 HD12 LEU A 55 4.037 -2.995 1.937 1.00 45.20 H new ATOM 0 HD13 LEU A 55 5.583 -3.874 1.864 1.00 45.20 H new ATOM 0 HD21 LEU A 55 4.244 -6.661 1.392 1.00 73.23 H new ATOM 0 HD22 LEU A 55 5.565 -6.439 2.564 1.00 73.23 H new ATOM 0 HD23 LEU A 55 4.013 -7.131 3.092 1.00 73.23 H new ATOM 948 N ILE A 56 1.014 -3.089 4.230 1.00 64.41 N ATOM 949 CA ILE A 56 -0.413 -3.466 4.180 1.00 73.31 C ATOM 950 C ILE A 56 -0.682 -4.265 2.889 1.00 53.13 C ATOM 951 O ILE A 56 -0.614 -3.716 1.789 1.00 72.01 O ATOM 952 CB ILE A 56 -1.369 -2.215 4.230 1.00 64.23 C ATOM 953 CG1 ILE A 56 -1.111 -1.338 5.500 1.00 62.20 C ATOM 954 CG2 ILE A 56 -2.860 -2.657 4.158 1.00 2.53 C ATOM 955 CD1 ILE A 56 -1.506 -1.977 6.822 1.00 62.34 C ATOM 0 H ILE A 56 1.229 -2.211 3.757 1.00 64.41 H new ATOM 0 HA ILE A 56 -0.624 -4.072 5.061 1.00 73.31 H new ATOM 0 HB ILE A 56 -1.148 -1.600 3.358 1.00 64.23 H new ATOM 0 HG12 ILE A 56 -0.051 -1.087 5.539 1.00 62.20 H new ATOM 0 HG13 ILE A 56 -1.657 -0.401 5.391 1.00 62.20 H new ATOM 0 HG21 ILE A 56 -3.502 -1.777 4.194 1.00 2.53 H new ATOM 0 HG22 ILE A 56 -3.035 -3.196 3.227 1.00 2.53 H new ATOM 0 HG23 ILE A 56 -3.088 -3.307 5.002 1.00 2.53 H new ATOM 0 HD11 ILE A 56 -1.287 -1.289 7.639 1.00 62.34 H new ATOM 0 HD12 ILE A 56 -2.573 -2.202 6.813 1.00 62.34 H new ATOM 0 HD13 ILE A 56 -0.942 -2.899 6.963 1.00 62.34 H new ATOM 967 N LYS A 57 -0.955 -5.564 3.037 1.00 42.44 N ATOM 968 CA LYS A 57 -1.349 -6.444 1.929 1.00 55.13 C ATOM 969 C LYS A 57 -2.879 -6.498 1.856 1.00 2.24 C ATOM 970 O LYS A 57 -3.536 -6.906 2.814 1.00 44.42 O ATOM 971 CB LYS A 57 -0.709 -7.858 2.148 1.00 61.33 C ATOM 972 CG LYS A 57 -1.164 -9.003 1.185 1.00 15.02 C ATOM 973 CD LYS A 57 -2.332 -9.867 1.734 1.00 63.44 C ATOM 974 CE LYS A 57 -2.657 -11.094 0.867 1.00 55.03 C ATOM 975 NZ LYS A 57 -3.159 -10.728 -0.487 1.00 55.44 N ATOM 0 H LYS A 57 -0.909 -6.041 3.937 1.00 42.44 H new ATOM 0 HA LYS A 57 -0.986 -6.063 0.974 1.00 55.13 H new ATOM 0 HB2 LYS A 57 0.373 -7.756 2.065 1.00 61.33 H new ATOM 0 HB3 LYS A 57 -0.922 -8.171 3.170 1.00 61.33 H new ATOM 0 HG2 LYS A 57 -1.467 -8.565 0.234 1.00 15.02 H new ATOM 0 HG3 LYS A 57 -0.312 -9.651 0.980 1.00 15.02 H new ATOM 0 HD2 LYS A 57 -2.082 -10.201 2.741 1.00 63.44 H new ATOM 0 HD3 LYS A 57 -3.224 -9.246 1.816 1.00 63.44 H new ATOM 0 HE2 LYS A 57 -1.762 -11.708 0.764 1.00 55.03 H new ATOM 0 HE3 LYS A 57 -3.405 -11.704 1.374 1.00 55.03 H new ATOM 0 HZ1 LYS A 57 -2.847 -11.441 -1.177 1.00 55.44 H new ATOM 0 HZ2 LYS A 57 -4.198 -10.690 -0.473 1.00 55.44 H new ATOM 0 HZ3 LYS A 57 -2.782 -9.797 -0.757 1.00 55.44 H new ATOM 989 N SER A 58 -3.438 -6.064 0.723 1.00 41.11 N ATOM 990 CA SER A 58 -4.870 -6.179 0.445 1.00 61.51 C ATOM 991 C SER A 58 -5.072 -6.140 -1.072 1.00 13.02 C ATOM 992 O SER A 58 -4.724 -5.154 -1.732 1.00 14.53 O ATOM 993 CB SER A 58 -5.677 -5.064 1.157 1.00 22.12 C ATOM 994 OG SER A 58 -7.078 -5.209 0.939 1.00 22.31 O ATOM 0 H SER A 58 -2.908 -5.622 -0.028 1.00 41.11 H new ATOM 0 HA SER A 58 -5.244 -7.125 0.837 1.00 61.51 H new ATOM 0 HB2 SER A 58 -5.470 -5.091 2.227 1.00 22.12 H new ATOM 0 HB3 SER A 58 -5.351 -4.089 0.794 1.00 22.12 H new ATOM 0 HG SER A 58 -7.557 -4.491 1.403 1.00 22.31 H new ATOM 1000 N ASN A 59 -5.623 -7.235 -1.611 1.00 61.21 N ATOM 1001 CA ASN A 59 -5.871 -7.415 -3.055 1.00 54.21 C ATOM 1002 C ASN A 59 -7.314 -7.010 -3.432 1.00 63.41 C ATOM 1003 O ASN A 59 -7.750 -7.240 -4.566 1.00 3.41 O ATOM 1004 CB ASN A 59 -5.566 -8.885 -3.463 1.00 21.12 C ATOM 1005 CG ASN A 59 -6.256 -9.912 -2.559 1.00 4.04 C ATOM 1006 OD1 ASN A 59 -5.684 -10.360 -1.566 1.00 44.41 O ATOM 1007 ND2 ASN A 59 -7.488 -10.269 -2.878 1.00 65.31 N ATOM 0 H ASN A 59 -5.915 -8.036 -1.051 1.00 61.21 H new ATOM 0 HA ASN A 59 -5.202 -6.756 -3.609 1.00 54.21 H new ATOM 0 HB2 ASN A 59 -5.884 -9.044 -4.493 1.00 21.12 H new ATOM 0 HB3 ASN A 59 -4.489 -9.049 -3.433 1.00 21.12 H new ATOM 0 HD21 ASN A 59 -7.993 -10.935 -2.294 1.00 65.31 H new ATOM 0 HD22 ASN A 59 -7.933 -9.878 -3.708 1.00 65.31 H new ATOM 1014 N ASP A 60 -8.045 -6.408 -2.474 1.00 74.53 N ATOM 1015 CA ASP A 60 -9.383 -5.832 -2.712 1.00 42.11 C ATOM 1016 C ASP A 60 -9.279 -4.302 -2.659 1.00 3.25 C ATOM 1017 O ASP A 60 -9.217 -3.717 -1.572 1.00 43.11 O ATOM 1018 CB ASP A 60 -10.408 -6.347 -1.668 1.00 4.03 C ATOM 1019 CG ASP A 60 -11.826 -5.770 -1.887 1.00 24.33 C ATOM 1020 OD1 ASP A 60 -12.539 -6.261 -2.787 1.00 25.14 O ATOM 1021 OD2 ASP A 60 -12.231 -4.825 -1.170 1.00 53.42 O ATOM 0 H ASP A 60 -7.724 -6.307 -1.511 1.00 74.53 H new ATOM 0 HA ASP A 60 -9.738 -6.143 -3.695 1.00 42.11 H new ATOM 0 HB2 ASP A 60 -10.452 -7.435 -1.715 1.00 4.03 H new ATOM 0 HB3 ASP A 60 -10.064 -6.084 -0.668 1.00 4.03 H new ATOM 1026 N LYS A 61 -9.266 -3.674 -3.847 1.00 44.21 N ATOM 1027 CA LYS A 61 -9.061 -2.215 -4.001 1.00 43.20 C ATOM 1028 C LYS A 61 -10.134 -1.349 -3.282 1.00 42.10 C ATOM 1029 O LYS A 61 -9.892 -0.171 -3.022 1.00 33.13 O ATOM 1030 CB LYS A 61 -8.905 -1.833 -5.518 1.00 34.11 C ATOM 1031 CG LYS A 61 -9.859 -2.542 -6.520 1.00 3.15 C ATOM 1032 CD LYS A 61 -11.344 -2.150 -6.365 1.00 40.42 C ATOM 1033 CE LYS A 61 -12.250 -2.819 -7.415 1.00 51.53 C ATOM 1034 NZ LYS A 61 -11.910 -2.411 -8.811 1.00 53.13 N ATOM 0 H LYS A 61 -9.397 -4.161 -4.733 1.00 44.21 H new ATOM 0 HA LYS A 61 -8.127 -1.978 -3.491 1.00 43.20 H new ATOM 0 HB2 LYS A 61 -9.050 -0.757 -5.614 1.00 34.11 H new ATOM 0 HB3 LYS A 61 -7.879 -2.045 -5.818 1.00 34.11 H new ATOM 0 HG2 LYS A 61 -9.538 -2.311 -7.536 1.00 3.15 H new ATOM 0 HG3 LYS A 61 -9.764 -3.620 -6.393 1.00 3.15 H new ATOM 0 HD2 LYS A 61 -11.686 -2.426 -5.368 1.00 40.42 H new ATOM 0 HD3 LYS A 61 -11.440 -1.067 -6.446 1.00 40.42 H new ATOM 0 HE2 LYS A 61 -12.165 -3.902 -7.326 1.00 51.53 H new ATOM 0 HE3 LYS A 61 -13.289 -2.563 -7.209 1.00 51.53 H new ATOM 0 HZ1 LYS A 61 -12.732 -2.567 -9.428 1.00 53.13 H new ATOM 0 HZ2 LYS A 61 -11.652 -1.404 -8.825 1.00 53.13 H new ATOM 0 HZ3 LYS A 61 -11.108 -2.978 -9.153 1.00 53.13 H new ATOM 1048 N GLN A 62 -11.301 -1.934 -2.947 1.00 61.40 N ATOM 1049 CA GLN A 62 -12.367 -1.211 -2.231 1.00 2.31 C ATOM 1050 C GLN A 62 -11.924 -0.933 -0.779 1.00 5.31 C ATOM 1051 O GLN A 62 -12.031 0.208 -0.302 1.00 32.43 O ATOM 1052 CB GLN A 62 -13.693 -2.013 -2.271 1.00 61.22 C ATOM 1053 CG GLN A 62 -14.241 -2.262 -3.693 1.00 4.34 C ATOM 1054 CD GLN A 62 -14.597 -0.979 -4.464 1.00 74.54 C ATOM 1055 OE1 GLN A 62 -14.454 -0.917 -5.684 1.00 33.33 O ATOM 1056 NE2 GLN A 62 -15.097 0.040 -3.775 1.00 64.32 N ATOM 0 H GLN A 62 -11.528 -2.905 -3.161 1.00 61.40 H new ATOM 0 HA GLN A 62 -12.546 -0.256 -2.726 1.00 2.31 H new ATOM 0 HB2 GLN A 62 -13.538 -2.974 -1.780 1.00 61.22 H new ATOM 0 HB3 GLN A 62 -14.446 -1.477 -1.693 1.00 61.22 H new ATOM 0 HG2 GLN A 62 -13.500 -2.822 -4.263 1.00 4.34 H new ATOM 0 HG3 GLN A 62 -15.130 -2.889 -3.623 1.00 4.34 H new ATOM 0 HE21 GLN A 62 -15.207 -0.033 -2.764 1.00 64.32 H new ATOM 0 HE22 GLN A 62 -15.371 0.896 -4.257 1.00 64.32 H new ATOM 1065 N LEU A 63 -11.371 -1.982 -0.120 1.00 31.45 N ATOM 1066 CA LEU A 63 -10.811 -1.891 1.252 1.00 24.05 C ATOM 1067 C LEU A 63 -9.732 -0.796 1.344 1.00 34.40 C ATOM 1068 O LEU A 63 -9.628 -0.124 2.364 1.00 65.30 O ATOM 1069 CB LEU A 63 -10.199 -3.261 1.691 1.00 60.35 C ATOM 1070 CG LEU A 63 -11.211 -4.418 1.961 1.00 1.12 C ATOM 1071 CD1 LEU A 63 -10.495 -5.775 2.129 1.00 24.34 C ATOM 1072 CD2 LEU A 63 -12.093 -4.102 3.182 1.00 1.54 C ATOM 0 H LEU A 63 -11.301 -2.915 -0.525 1.00 31.45 H new ATOM 0 HA LEU A 63 -11.631 -1.631 1.921 1.00 24.05 H new ATOM 0 HB2 LEU A 63 -9.504 -3.588 0.918 1.00 60.35 H new ATOM 0 HB3 LEU A 63 -9.615 -3.100 2.597 1.00 60.35 H new ATOM 0 HG LEU A 63 -11.857 -4.499 1.087 1.00 1.12 H new ATOM 0 HD11 LEU A 63 -11.233 -6.555 2.315 1.00 24.34 H new ATOM 0 HD12 LEU A 63 -9.941 -6.009 1.220 1.00 24.34 H new ATOM 0 HD13 LEU A 63 -9.804 -5.720 2.971 1.00 24.34 H new ATOM 0 HD21 LEU A 63 -12.790 -4.923 3.350 1.00 1.54 H new ATOM 0 HD22 LEU A 63 -11.463 -3.975 4.063 1.00 1.54 H new ATOM 0 HD23 LEU A 63 -12.651 -3.184 3.000 1.00 1.54 H new ATOM 1084 N LEU A 64 -8.951 -0.639 0.255 1.00 2.15 N ATOM 1085 CA LEU A 64 -7.860 0.351 0.162 1.00 11.51 C ATOM 1086 C LEU A 64 -8.393 1.779 0.235 1.00 53.02 C ATOM 1087 O LEU A 64 -7.917 2.575 1.042 1.00 63.02 O ATOM 1088 CB LEU A 64 -7.062 0.181 -1.159 1.00 32.13 C ATOM 1089 CG LEU A 64 -5.966 -0.914 -1.174 1.00 35.12 C ATOM 1090 CD1 LEU A 64 -6.533 -2.322 -0.983 1.00 12.14 C ATOM 1091 CD2 LEU A 64 -5.139 -0.825 -2.455 1.00 74.00 C ATOM 0 H LEU A 64 -9.061 -1.200 -0.590 1.00 2.15 H new ATOM 0 HA LEU A 64 -7.201 0.172 1.011 1.00 11.51 H new ATOM 0 HB2 LEU A 64 -7.770 -0.035 -1.959 1.00 32.13 H new ATOM 0 HB3 LEU A 64 -6.593 1.135 -1.398 1.00 32.13 H new ATOM 0 HG LEU A 64 -5.315 -0.726 -0.320 1.00 35.12 H new ATOM 0 HD11 LEU A 64 -5.720 -3.047 -1.002 1.00 12.14 H new ATOM 0 HD12 LEU A 64 -7.048 -2.380 -0.024 1.00 12.14 H new ATOM 0 HD13 LEU A 64 -7.236 -2.543 -1.786 1.00 12.14 H new ATOM 0 HD21 LEU A 64 -4.374 -1.601 -2.449 1.00 74.00 H new ATOM 0 HD22 LEU A 64 -5.790 -0.964 -3.318 1.00 74.00 H new ATOM 0 HD23 LEU A 64 -4.662 0.154 -2.513 1.00 74.00 H new ATOM 1103 N LYS A 65 -9.367 2.088 -0.638 1.00 44.10 N ATOM 1104 CA LYS A 65 -9.908 3.435 -0.786 1.00 74.33 C ATOM 1105 C LYS A 65 -10.534 3.899 0.541 1.00 31.42 C ATOM 1106 O LYS A 65 -10.223 4.982 1.039 1.00 54.21 O ATOM 1107 CB LYS A 65 -10.951 3.430 -1.929 1.00 63.23 C ATOM 1108 CG LYS A 65 -11.201 4.807 -2.566 1.00 75.13 C ATOM 1109 CD LYS A 65 -12.242 4.749 -3.703 1.00 50.34 C ATOM 1110 CE LYS A 65 -13.671 4.479 -3.194 1.00 23.10 C ATOM 1111 NZ LYS A 65 -14.144 5.555 -2.273 1.00 23.12 N ATOM 0 H LYS A 65 -9.797 1.403 -1.259 1.00 44.10 H new ATOM 0 HA LYS A 65 -9.112 4.136 -1.038 1.00 74.33 H new ATOM 0 HB2 LYS A 65 -10.619 2.739 -2.704 1.00 63.23 H new ATOM 0 HB3 LYS A 65 -11.895 3.045 -1.542 1.00 63.23 H new ATOM 0 HG2 LYS A 65 -11.543 5.502 -1.799 1.00 75.13 H new ATOM 0 HG3 LYS A 65 -10.262 5.200 -2.956 1.00 75.13 H new ATOM 0 HD2 LYS A 65 -12.228 5.692 -4.250 1.00 50.34 H new ATOM 0 HD3 LYS A 65 -11.959 3.968 -4.408 1.00 50.34 H new ATOM 0 HE2 LYS A 65 -14.351 4.402 -4.043 1.00 23.10 H new ATOM 0 HE3 LYS A 65 -13.697 3.520 -2.677 1.00 23.10 H new ATOM 0 HZ1 LYS A 65 -15.169 5.461 -2.127 1.00 23.12 H new ATOM 0 HZ2 LYS A 65 -13.654 5.470 -1.359 1.00 23.12 H new ATOM 0 HZ3 LYS A 65 -13.938 6.485 -2.691 1.00 23.12 H new ATOM 1125 N GLU A 66 -11.349 3.000 1.129 1.00 52.04 N ATOM 1126 CA GLU A 66 -12.063 3.235 2.398 1.00 71.24 C ATOM 1127 C GLU A 66 -11.078 3.392 3.575 1.00 55.35 C ATOM 1128 O GLU A 66 -11.297 4.220 4.467 1.00 62.43 O ATOM 1129 CB GLU A 66 -13.049 2.063 2.645 1.00 73.41 C ATOM 1130 CG GLU A 66 -14.087 1.887 1.519 1.00 32.41 C ATOM 1131 CD GLU A 66 -14.995 0.665 1.707 1.00 60.40 C ATOM 1132 OE1 GLU A 66 -15.836 0.675 2.631 1.00 13.01 O ATOM 1133 OE2 GLU A 66 -14.861 -0.320 0.946 1.00 53.14 O ATOM 0 H GLU A 66 -11.531 2.079 0.730 1.00 52.04 H new ATOM 0 HA GLU A 66 -12.622 4.168 2.327 1.00 71.24 H new ATOM 0 HB2 GLU A 66 -12.482 1.138 2.754 1.00 73.41 H new ATOM 0 HB3 GLU A 66 -13.571 2.230 3.587 1.00 73.41 H new ATOM 0 HG2 GLU A 66 -14.705 2.783 1.462 1.00 32.41 H new ATOM 0 HG3 GLU A 66 -13.566 1.799 0.566 1.00 32.41 H new ATOM 1140 N MET A 67 -9.983 2.601 3.537 1.00 55.31 N ATOM 1141 CA MET A 67 -8.888 2.654 4.530 1.00 52.30 C ATOM 1142 C MET A 67 -8.261 4.052 4.555 1.00 43.21 C ATOM 1143 O MET A 67 -8.162 4.673 5.607 1.00 31.13 O ATOM 1144 CB MET A 67 -7.798 1.619 4.152 1.00 21.12 C ATOM 1145 CG MET A 67 -6.598 1.513 5.107 1.00 73.42 C ATOM 1146 SD MET A 67 -5.277 0.473 4.433 1.00 1.23 S ATOM 1147 CE MET A 67 -6.170 -1.015 3.973 1.00 20.33 C ATOM 0 H MET A 67 -9.833 1.902 2.810 1.00 55.31 H new ATOM 0 HA MET A 67 -9.296 2.425 5.515 1.00 52.30 H new ATOM 0 HB2 MET A 67 -8.268 0.638 4.083 1.00 21.12 H new ATOM 0 HB3 MET A 67 -7.424 1.864 3.158 1.00 21.12 H new ATOM 0 HG2 MET A 67 -6.206 2.510 5.308 1.00 73.42 H new ATOM 0 HG3 MET A 67 -6.930 1.103 6.061 1.00 73.42 H new ATOM 0 HE1 MET A 67 -5.460 -1.815 3.764 1.00 20.33 H new ATOM 0 HE2 MET A 67 -6.824 -1.315 4.792 1.00 20.33 H new ATOM 0 HE3 MET A 67 -6.769 -0.820 3.083 1.00 20.33 H new ATOM 1157 N LEU A 68 -7.884 4.527 3.355 1.00 63.41 N ATOM 1158 CA LEU A 68 -7.177 5.800 3.158 1.00 20.32 C ATOM 1159 C LEU A 68 -8.057 7.007 3.534 1.00 33.33 C ATOM 1160 O LEU A 68 -7.552 8.013 4.026 1.00 60.35 O ATOM 1161 CB LEU A 68 -6.681 5.884 1.691 1.00 62.54 C ATOM 1162 CG LEU A 68 -5.600 4.824 1.304 1.00 44.03 C ATOM 1163 CD1 LEU A 68 -5.293 4.837 -0.198 1.00 23.03 C ATOM 1164 CD2 LEU A 68 -4.313 5.026 2.124 1.00 4.22 C ATOM 0 H LEU A 68 -8.066 4.029 2.484 1.00 63.41 H new ATOM 0 HA LEU A 68 -6.316 5.834 3.825 1.00 20.32 H new ATOM 0 HB2 LEU A 68 -7.537 5.769 1.026 1.00 62.54 H new ATOM 0 HB3 LEU A 68 -6.273 6.879 1.517 1.00 62.54 H new ATOM 0 HG LEU A 68 -6.013 3.844 1.543 1.00 44.03 H new ATOM 0 HD11 LEU A 68 -4.537 4.085 -0.421 1.00 23.03 H new ATOM 0 HD12 LEU A 68 -6.202 4.615 -0.757 1.00 23.03 H new ATOM 0 HD13 LEU A 68 -4.922 5.821 -0.485 1.00 23.03 H new ATOM 0 HD21 LEU A 68 -3.577 4.276 1.836 1.00 4.22 H new ATOM 0 HD22 LEU A 68 -3.912 6.021 1.932 1.00 4.22 H new ATOM 0 HD23 LEU A 68 -4.538 4.924 3.186 1.00 4.22 H new ATOM 1176 N GLU A 69 -9.377 6.878 3.321 1.00 30.35 N ATOM 1177 CA GLU A 69 -10.366 7.902 3.720 1.00 73.41 C ATOM 1178 C GLU A 69 -10.466 8.008 5.261 1.00 53.54 C ATOM 1179 O GLU A 69 -10.741 9.086 5.796 1.00 3.12 O ATOM 1180 CB GLU A 69 -11.744 7.582 3.075 1.00 2.41 C ATOM 1181 CG GLU A 69 -11.757 7.714 1.533 1.00 23.43 C ATOM 1182 CD GLU A 69 -13.077 7.251 0.886 1.00 3.44 C ATOM 1183 OE1 GLU A 69 -14.040 8.047 0.844 1.00 32.43 O ATOM 1184 OE2 GLU A 69 -13.164 6.085 0.438 1.00 23.42 O ATOM 0 H GLU A 69 -9.792 6.063 2.868 1.00 30.35 H new ATOM 0 HA GLU A 69 -10.036 8.875 3.356 1.00 73.41 H new ATOM 0 HB2 GLU A 69 -12.035 6.567 3.346 1.00 2.41 H new ATOM 0 HB3 GLU A 69 -12.495 8.251 3.494 1.00 2.41 H new ATOM 0 HG2 GLU A 69 -11.576 8.755 1.264 1.00 23.43 H new ATOM 0 HG3 GLU A 69 -10.935 7.130 1.120 1.00 23.43 H new ATOM 1191 N LEU A 70 -10.229 6.885 5.966 1.00 23.02 N ATOM 1192 CA LEU A 70 -10.188 6.853 7.446 1.00 21.43 C ATOM 1193 C LEU A 70 -8.787 7.252 7.980 1.00 0.05 C ATOM 1194 O LEU A 70 -8.664 7.751 9.105 1.00 15.31 O ATOM 1195 CB LEU A 70 -10.598 5.449 7.958 1.00 54.15 C ATOM 1196 CG LEU A 70 -12.027 4.964 7.572 1.00 34.53 C ATOM 1197 CD1 LEU A 70 -12.275 3.517 8.049 1.00 33.35 C ATOM 1198 CD2 LEU A 70 -13.111 5.934 8.103 1.00 43.42 C ATOM 0 H LEU A 70 -10.061 5.978 5.531 1.00 23.02 H new ATOM 0 HA LEU A 70 -10.901 7.585 7.825 1.00 21.43 H new ATOM 0 HB2 LEU A 70 -9.877 4.723 7.581 1.00 54.15 H new ATOM 0 HB3 LEU A 70 -10.517 5.444 9.045 1.00 54.15 H new ATOM 0 HG LEU A 70 -12.096 4.964 6.484 1.00 34.53 H new ATOM 0 HD11 LEU A 70 -13.281 3.207 7.765 1.00 33.35 H new ATOM 0 HD12 LEU A 70 -11.546 2.851 7.586 1.00 33.35 H new ATOM 0 HD13 LEU A 70 -12.174 3.469 9.133 1.00 33.35 H new ATOM 0 HD21 LEU A 70 -14.097 5.569 7.818 1.00 43.42 H new ATOM 0 HD22 LEU A 70 -13.046 5.993 9.189 1.00 43.42 H new ATOM 0 HD23 LEU A 70 -12.954 6.924 7.676 1.00 43.42 H new ATOM 1210 N ILE A 71 -7.733 7.019 7.160 1.00 34.03 N ATOM 1211 CA ILE A 71 -6.346 7.457 7.459 1.00 50.51 C ATOM 1212 C ILE A 71 -6.245 8.998 7.360 1.00 60.51 C ATOM 1213 O ILE A 71 -5.370 9.612 7.976 1.00 41.32 O ATOM 1214 CB ILE A 71 -5.288 6.751 6.504 1.00 31.40 C ATOM 1215 CG1 ILE A 71 -5.194 5.224 6.825 1.00 30.41 C ATOM 1216 CG2 ILE A 71 -3.886 7.409 6.578 1.00 13.41 C ATOM 1217 CD1 ILE A 71 -4.215 4.432 5.968 1.00 63.50 C ATOM 0 H ILE A 71 -7.820 6.523 6.273 1.00 34.03 H new ATOM 0 HA ILE A 71 -6.106 7.154 8.478 1.00 50.51 H new ATOM 0 HB ILE A 71 -5.646 6.881 5.483 1.00 31.40 H new ATOM 0 HG12 ILE A 71 -4.911 5.107 7.871 1.00 30.41 H new ATOM 0 HG13 ILE A 71 -6.185 4.785 6.712 1.00 30.41 H new ATOM 0 HG21 ILE A 71 -3.204 6.888 5.907 1.00 13.41 H new ATOM 0 HG22 ILE A 71 -3.959 8.455 6.281 1.00 13.41 H new ATOM 0 HG23 ILE A 71 -3.509 7.347 7.599 1.00 13.41 H new ATOM 0 HD11 ILE A 71 -4.228 3.386 6.273 1.00 63.50 H new ATOM 0 HD12 ILE A 71 -4.505 4.508 4.920 1.00 63.50 H new ATOM 0 HD13 ILE A 71 -3.210 4.835 6.097 1.00 63.50 H new ATOM 1229 N SER A 72 -7.178 9.614 6.607 1.00 21.15 N ATOM 1230 CA SER A 72 -7.276 11.085 6.466 1.00 51.13 C ATOM 1231 C SER A 72 -7.528 11.781 7.821 1.00 41.04 C ATOM 1232 O SER A 72 -7.267 12.975 7.964 1.00 64.25 O ATOM 1233 CB SER A 72 -8.384 11.435 5.456 1.00 40.42 C ATOM 1234 OG SER A 72 -8.153 10.791 4.217 1.00 40.20 O ATOM 0 H SER A 72 -7.887 9.107 6.078 1.00 21.15 H new ATOM 0 HA SER A 72 -6.320 11.454 6.095 1.00 51.13 H new ATOM 0 HB2 SER A 72 -9.353 11.134 5.853 1.00 40.42 H new ATOM 0 HB3 SER A 72 -8.421 12.514 5.309 1.00 40.42 H new ATOM 0 HG SER A 72 -8.122 9.821 4.353 1.00 40.20 H new ATOM 1240 N LYS A 73 -8.040 11.007 8.803 1.00 4.11 N ATOM 1241 CA LYS A 73 -8.263 11.476 10.185 1.00 11.33 C ATOM 1242 C LYS A 73 -6.948 11.466 10.993 1.00 52.23 C ATOM 1243 O LYS A 73 -6.771 12.261 11.922 1.00 34.21 O ATOM 1244 CB LYS A 73 -9.326 10.573 10.871 1.00 40.40 C ATOM 1245 CG LYS A 73 -10.672 10.500 10.117 1.00 74.34 C ATOM 1246 CD LYS A 73 -11.341 11.886 9.953 1.00 24.14 C ATOM 1247 CE LYS A 73 -12.666 11.818 9.179 1.00 3.11 C ATOM 1248 NZ LYS A 73 -13.319 13.150 9.099 1.00 31.34 N ATOM 0 H LYS A 73 -8.311 10.035 8.657 1.00 4.11 H new ATOM 0 HA LYS A 73 -8.625 12.504 10.152 1.00 11.33 H new ATOM 0 HB2 LYS A 73 -8.922 9.565 10.970 1.00 40.40 H new ATOM 0 HB3 LYS A 73 -9.506 10.945 11.880 1.00 40.40 H new ATOM 0 HG2 LYS A 73 -10.509 10.061 9.133 1.00 74.34 H new ATOM 0 HG3 LYS A 73 -11.349 9.836 10.654 1.00 74.34 H new ATOM 0 HD2 LYS A 73 -11.522 12.316 10.938 1.00 24.14 H new ATOM 0 HD3 LYS A 73 -10.656 12.556 9.434 1.00 24.14 H new ATOM 0 HE2 LYS A 73 -12.482 11.441 8.173 1.00 3.11 H new ATOM 0 HE3 LYS A 73 -13.337 11.111 9.666 1.00 3.11 H new ATOM 0 HZ1 LYS A 73 -14.211 13.068 8.570 1.00 31.34 H new ATOM 0 HZ2 LYS A 73 -13.516 13.498 10.059 1.00 31.34 H new ATOM 0 HZ3 LYS A 73 -12.688 13.817 8.612 1.00 31.34 H new ATOM 1262 N LEU A 74 -6.039 10.552 10.619 1.00 64.13 N ATOM 1263 CA LEU A 74 -4.753 10.340 11.312 1.00 2.11 C ATOM 1264 C LEU A 74 -3.681 11.312 10.781 1.00 52.40 C ATOM 1265 O LEU A 74 -2.970 11.952 11.566 1.00 35.00 O ATOM 1266 CB LEU A 74 -4.316 8.865 11.112 1.00 64.04 C ATOM 1267 CG LEU A 74 -5.358 7.793 11.570 1.00 54.24 C ATOM 1268 CD1 LEU A 74 -4.930 6.375 11.152 1.00 35.04 C ATOM 1269 CD2 LEU A 74 -5.614 7.879 13.091 1.00 62.11 C ATOM 0 H LEU A 74 -6.175 9.932 9.820 1.00 64.13 H new ATOM 0 HA LEU A 74 -4.873 10.539 12.377 1.00 2.11 H new ATOM 0 HB2 LEU A 74 -4.098 8.708 10.056 1.00 64.04 H new ATOM 0 HB3 LEU A 74 -3.387 8.701 11.658 1.00 64.04 H new ATOM 0 HG LEU A 74 -6.298 8.010 11.063 1.00 54.24 H new ATOM 0 HD11 LEU A 74 -5.678 5.656 11.487 1.00 35.04 H new ATOM 0 HD12 LEU A 74 -4.841 6.327 10.067 1.00 35.04 H new ATOM 0 HD13 LEU A 74 -3.968 6.137 11.606 1.00 35.04 H new ATOM 0 HD21 LEU A 74 -6.343 7.122 13.381 1.00 62.11 H new ATOM 0 HD22 LEU A 74 -4.681 7.708 13.627 1.00 62.11 H new ATOM 0 HD23 LEU A 74 -6.000 8.868 13.340 1.00 62.11 H new ATOM 1281 N GLY A 75 -3.571 11.393 9.440 1.00 12.11 N ATOM 1282 CA GLY A 75 -2.704 12.357 8.766 1.00 0.02 C ATOM 1283 C GLY A 75 -1.232 11.943 8.743 1.00 63.43 C ATOM 1284 O GLY A 75 -0.441 12.403 9.574 1.00 4.11 O ATOM 0 H GLY A 75 -4.085 10.787 8.800 1.00 12.11 H new ATOM 0 HA2 GLY A 75 -3.051 12.492 7.742 1.00 0.02 H new ATOM 0 HA3 GLY A 75 -2.794 13.323 9.262 1.00 0.02 H new ATOM 1288 N TYR A 76 -0.872 11.053 7.800 1.00 2.23 N ATOM 1289 CA TYR A 76 0.534 10.667 7.545 1.00 15.42 C ATOM 1290 C TYR A 76 0.726 10.231 6.085 1.00 24.10 C ATOM 1291 O TYR A 76 -0.250 10.015 5.346 1.00 1.03 O ATOM 1292 CB TYR A 76 1.034 9.564 8.531 1.00 42.55 C ATOM 1293 CG TYR A 76 0.193 8.276 8.606 1.00 43.03 C ATOM 1294 CD1 TYR A 76 0.434 7.199 7.750 1.00 21.44 C ATOM 1295 CD2 TYR A 76 -0.818 8.128 9.560 1.00 1.03 C ATOM 1296 CE1 TYR A 76 -0.297 6.035 7.844 1.00 21.31 C ATOM 1297 CE2 TYR A 76 -1.544 6.957 9.657 1.00 61.13 C ATOM 1298 CZ TYR A 76 -1.284 5.917 8.796 1.00 24.11 C ATOM 1299 OH TYR A 76 -2.006 4.747 8.896 1.00 50.41 O ATOM 0 H TYR A 76 -1.543 10.581 7.194 1.00 2.23 H new ATOM 0 HA TYR A 76 1.146 11.551 7.723 1.00 15.42 H new ATOM 0 HB2 TYR A 76 2.051 9.291 8.250 1.00 42.55 H new ATOM 0 HB3 TYR A 76 1.084 9.997 9.530 1.00 42.55 H new ATOM 0 HD1 TYR A 76 1.208 7.280 7.001 1.00 21.44 H new ATOM 0 HD2 TYR A 76 -1.035 8.944 10.233 1.00 1.03 H new ATOM 0 HE1 TYR A 76 -0.096 5.215 7.171 1.00 21.31 H new ATOM 0 HE2 TYR A 76 -2.314 6.858 10.408 1.00 61.13 H new ATOM 0 HH TYR A 76 -2.947 4.957 9.070 1.00 50.41 H new ATOM 1309 N LYS A 77 2.007 10.124 5.687 1.00 11.15 N ATOM 1310 CA LYS A 77 2.417 9.706 4.342 1.00 4.30 C ATOM 1311 C LYS A 77 2.192 8.196 4.166 1.00 13.03 C ATOM 1312 O LYS A 77 2.864 7.381 4.818 1.00 71.32 O ATOM 1313 CB LYS A 77 3.911 10.053 4.109 1.00 62.35 C ATOM 1314 CG LYS A 77 4.484 9.638 2.726 1.00 4.32 C ATOM 1315 CD LYS A 77 3.911 10.465 1.555 1.00 2.42 C ATOM 1316 CE LYS A 77 4.498 10.057 0.196 1.00 63.12 C ATOM 1317 NZ LYS A 77 3.998 10.912 -0.914 1.00 71.32 N ATOM 0 H LYS A 77 2.794 10.329 6.302 1.00 11.15 H new ATOM 0 HA LYS A 77 1.813 10.239 3.608 1.00 4.30 H new ATOM 0 HB2 LYS A 77 4.039 11.129 4.228 1.00 62.35 H new ATOM 0 HB3 LYS A 77 4.504 9.573 4.888 1.00 62.35 H new ATOM 0 HG2 LYS A 77 5.568 9.747 2.742 1.00 4.32 H new ATOM 0 HG3 LYS A 77 4.272 8.583 2.554 1.00 4.32 H new ATOM 0 HD2 LYS A 77 2.828 10.347 1.528 1.00 2.42 H new ATOM 0 HD3 LYS A 77 4.112 11.522 1.730 1.00 2.42 H new ATOM 0 HE2 LYS A 77 5.585 10.120 0.239 1.00 63.12 H new ATOM 0 HE3 LYS A 77 4.247 9.016 -0.008 1.00 63.12 H new ATOM 0 HZ1 LYS A 77 4.312 10.518 -1.824 1.00 71.32 H new ATOM 0 HZ2 LYS A 77 2.959 10.941 -0.889 1.00 71.32 H new ATOM 0 HZ3 LYS A 77 4.374 11.876 -0.806 1.00 71.32 H new ATOM 1331 N VAL A 78 1.220 7.843 3.313 1.00 24.43 N ATOM 1332 CA VAL A 78 0.972 6.455 2.903 1.00 24.50 C ATOM 1333 C VAL A 78 1.409 6.286 1.446 1.00 73.11 C ATOM 1334 O VAL A 78 1.188 7.176 0.615 1.00 44.24 O ATOM 1335 CB VAL A 78 -0.539 6.035 3.041 1.00 0.25 C ATOM 1336 CG1 VAL A 78 -0.729 4.518 2.774 1.00 31.20 C ATOM 1337 CG2 VAL A 78 -1.092 6.422 4.425 1.00 44.42 C ATOM 0 H VAL A 78 0.582 8.515 2.887 1.00 24.43 H new ATOM 0 HA VAL A 78 1.546 5.810 3.568 1.00 24.50 H new ATOM 0 HB VAL A 78 -1.105 6.579 2.285 1.00 0.25 H new ATOM 0 HG11 VAL A 78 -1.783 4.260 2.877 1.00 31.20 H new ATOM 0 HG12 VAL A 78 -0.394 4.282 1.764 1.00 31.20 H new ATOM 0 HG13 VAL A 78 -0.143 3.946 3.493 1.00 31.20 H new ATOM 0 HG21 VAL A 78 -2.137 6.122 4.496 1.00 44.42 H new ATOM 0 HG22 VAL A 78 -0.516 5.918 5.201 1.00 44.42 H new ATOM 0 HG23 VAL A 78 -1.015 7.501 4.559 1.00 44.42 H new ATOM 1347 N PHE A 79 2.029 5.141 1.165 1.00 2.23 N ATOM 1348 CA PHE A 79 2.460 4.736 -0.172 1.00 63.20 C ATOM 1349 C PHE A 79 1.477 3.683 -0.686 1.00 43.21 C ATOM 1350 O PHE A 79 0.920 2.935 0.109 1.00 31.42 O ATOM 1351 CB PHE A 79 3.898 4.163 -0.105 1.00 25.35 C ATOM 1352 CG PHE A 79 4.932 5.155 0.435 1.00 4.24 C ATOM 1353 CD1 PHE A 79 5.509 6.101 -0.405 1.00 53.51 C ATOM 1354 CD2 PHE A 79 5.312 5.153 1.780 1.00 63.22 C ATOM 1355 CE1 PHE A 79 6.428 7.006 0.073 1.00 60.24 C ATOM 1356 CE2 PHE A 79 6.236 6.063 2.255 1.00 11.11 C ATOM 1357 CZ PHE A 79 6.792 6.990 1.401 1.00 1.41 C ATOM 0 H PHE A 79 2.252 4.450 1.881 1.00 2.23 H new ATOM 0 HA PHE A 79 2.470 5.589 -0.851 1.00 63.20 H new ATOM 0 HB2 PHE A 79 3.896 3.274 0.526 1.00 25.35 H new ATOM 0 HB3 PHE A 79 4.200 3.845 -1.103 1.00 25.35 H new ATOM 0 HD1 PHE A 79 5.231 6.126 -1.448 1.00 53.51 H new ATOM 0 HD2 PHE A 79 4.878 4.431 2.456 1.00 63.22 H new ATOM 0 HE1 PHE A 79 6.866 7.732 -0.596 1.00 60.24 H new ATOM 0 HE2 PHE A 79 6.523 6.048 3.296 1.00 11.11 H new ATOM 0 HZ PHE A 79 7.513 7.703 1.773 1.00 1.41 H new ATOM 1367 N LEU A 80 1.231 3.657 -1.998 1.00 73.12 N ATOM 1368 CA LEU A 80 0.372 2.640 -2.631 1.00 32.14 C ATOM 1369 C LEU A 80 0.946 2.242 -3.992 1.00 43.30 C ATOM 1370 O LEU A 80 1.445 3.086 -4.741 1.00 3.31 O ATOM 1371 CB LEU A 80 -1.096 3.156 -2.755 1.00 13.14 C ATOM 1372 CG LEU A 80 -2.120 2.224 -3.497 1.00 72.30 C ATOM 1373 CD1 LEU A 80 -2.126 0.802 -2.909 1.00 42.43 C ATOM 1374 CD2 LEU A 80 -3.540 2.833 -3.485 1.00 12.42 C ATOM 0 H LEU A 80 1.618 4.336 -2.654 1.00 73.12 H new ATOM 0 HA LEU A 80 0.352 1.751 -2.000 1.00 32.14 H new ATOM 0 HB2 LEU A 80 -1.475 3.343 -1.750 1.00 13.14 H new ATOM 0 HB3 LEU A 80 -1.075 4.115 -3.272 1.00 13.14 H new ATOM 0 HG LEU A 80 -1.794 2.148 -4.534 1.00 72.30 H new ATOM 0 HD11 LEU A 80 -2.847 0.188 -3.449 1.00 42.43 H new ATOM 0 HD12 LEU A 80 -1.132 0.364 -3.005 1.00 42.43 H new ATOM 0 HD13 LEU A 80 -2.403 0.845 -1.856 1.00 42.43 H new ATOM 0 HD21 LEU A 80 -4.227 2.166 -4.006 1.00 12.42 H new ATOM 0 HD22 LEU A 80 -3.872 2.963 -2.455 1.00 12.42 H new ATOM 0 HD23 LEU A 80 -3.525 3.801 -3.986 1.00 12.42 H new ATOM 1386 N LEU A 81 0.888 0.935 -4.277 1.00 12.23 N ATOM 1387 CA LEU A 81 1.325 0.344 -5.544 1.00 22.22 C ATOM 1388 C LEU A 81 0.209 -0.563 -6.088 1.00 73.30 C ATOM 1389 O LEU A 81 -0.381 -1.351 -5.341 1.00 23.44 O ATOM 1390 CB LEU A 81 2.620 -0.466 -5.320 1.00 62.45 C ATOM 1391 CG LEU A 81 3.317 -1.035 -6.594 1.00 32.44 C ATOM 1392 CD1 LEU A 81 3.734 0.097 -7.551 1.00 63.30 C ATOM 1393 CD2 LEU A 81 4.518 -1.919 -6.214 1.00 63.23 C ATOM 0 H LEU A 81 0.528 0.246 -3.617 1.00 12.23 H new ATOM 0 HA LEU A 81 1.530 1.131 -6.270 1.00 22.22 H new ATOM 0 HB2 LEU A 81 3.334 0.170 -4.797 1.00 62.45 H new ATOM 0 HB3 LEU A 81 2.390 -1.300 -4.656 1.00 62.45 H new ATOM 0 HG LEU A 81 2.597 -1.661 -7.121 1.00 32.44 H new ATOM 0 HD11 LEU A 81 4.217 -0.329 -8.430 1.00 63.30 H new ATOM 0 HD12 LEU A 81 2.851 0.657 -7.858 1.00 63.30 H new ATOM 0 HD13 LEU A 81 4.429 0.765 -7.043 1.00 63.30 H new ATOM 0 HD21 LEU A 81 4.987 -2.304 -7.119 1.00 63.23 H new ATOM 0 HD22 LEU A 81 5.242 -1.328 -5.653 1.00 63.23 H new ATOM 0 HD23 LEU A 81 4.177 -2.752 -5.600 1.00 63.23 H new ATOM 1405 N LEU A 82 -0.065 -0.437 -7.391 1.00 4.11 N ATOM 1406 CA LEU A 82 -1.118 -1.179 -8.095 1.00 73.25 C ATOM 1407 C LEU A 82 -0.469 -1.980 -9.234 1.00 52.34 C ATOM 1408 O LEU A 82 0.001 -1.382 -10.193 1.00 51.31 O ATOM 1409 CB LEU A 82 -2.161 -0.174 -8.668 1.00 54.24 C ATOM 1410 CG LEU A 82 -2.869 0.771 -7.643 1.00 55.03 C ATOM 1411 CD1 LEU A 82 -3.782 1.788 -8.357 1.00 13.04 C ATOM 1412 CD2 LEU A 82 -3.651 -0.035 -6.584 1.00 60.41 C ATOM 0 H LEU A 82 0.451 0.198 -8.000 1.00 4.11 H new ATOM 0 HA LEU A 82 -1.627 -1.860 -7.413 1.00 73.25 H new ATOM 0 HB2 LEU A 82 -1.661 0.446 -9.412 1.00 54.24 H new ATOM 0 HB3 LEU A 82 -2.929 -0.743 -9.191 1.00 54.24 H new ATOM 0 HG LEU A 82 -2.093 1.332 -7.123 1.00 55.03 H new ATOM 0 HD11 LEU A 82 -4.260 2.430 -7.617 1.00 13.04 H new ATOM 0 HD12 LEU A 82 -3.186 2.398 -9.036 1.00 13.04 H new ATOM 0 HD13 LEU A 82 -4.547 1.256 -8.923 1.00 13.04 H new ATOM 0 HD21 LEU A 82 -4.132 0.651 -5.886 1.00 60.41 H new ATOM 0 HD22 LEU A 82 -4.410 -0.643 -7.077 1.00 60.41 H new ATOM 0 HD23 LEU A 82 -2.964 -0.683 -6.040 1.00 60.41 H new ATOM 1424 N ALA A 83 -0.425 -3.322 -9.122 1.00 61.13 N ATOM 1425 CA ALA A 83 0.203 -4.194 -10.144 1.00 4.11 C ATOM 1426 C ALA A 83 -0.776 -5.287 -10.619 1.00 1.03 C ATOM 1427 O ALA A 83 -1.127 -6.207 -9.868 1.00 44.34 O ATOM 1428 CB ALA A 83 1.505 -4.806 -9.599 1.00 2.33 C ATOM 0 H ALA A 83 -0.818 -3.832 -8.331 1.00 61.13 H new ATOM 0 HA ALA A 83 0.453 -3.583 -11.011 1.00 4.11 H new ATOM 0 HB1 ALA A 83 1.954 -5.443 -10.361 1.00 2.33 H new ATOM 0 HB2 ALA A 83 2.200 -4.008 -9.337 1.00 2.33 H new ATOM 0 HB3 ALA A 83 1.284 -5.400 -8.712 1.00 2.33 H new ATOM 1434 N ASP A 84 -1.216 -5.170 -11.875 1.00 34.15 N ATOM 1435 CA ASP A 84 -2.156 -6.122 -12.494 1.00 1.44 C ATOM 1436 C ASP A 84 -2.276 -5.834 -13.997 1.00 12.24 C ATOM 1437 O ASP A 84 -2.069 -4.699 -14.440 1.00 53.02 O ATOM 1438 CB ASP A 84 -3.557 -6.063 -11.795 1.00 44.10 C ATOM 1439 CG ASP A 84 -4.630 -6.951 -12.443 1.00 3.12 C ATOM 1440 OD1 ASP A 84 -4.375 -8.156 -12.640 1.00 33.43 O ATOM 1441 OD2 ASP A 84 -5.702 -6.446 -12.808 1.00 74.31 O ATOM 0 H ASP A 84 -0.933 -4.412 -12.496 1.00 34.15 H new ATOM 0 HA ASP A 84 -1.768 -7.132 -12.363 1.00 1.44 H new ATOM 0 HB2 ASP A 84 -3.441 -6.357 -10.752 1.00 44.10 H new ATOM 0 HB3 ASP A 84 -3.907 -5.031 -11.798 1.00 44.10 H new ATOM 1446 N GLN A 85 -2.621 -6.883 -14.760 1.00 12.32 N ATOM 1447 CA GLN A 85 -2.716 -6.835 -16.226 1.00 44.44 C ATOM 1448 C GLN A 85 -3.945 -6.010 -16.680 1.00 71.50 C ATOM 1449 O GLN A 85 -3.949 -5.466 -17.795 1.00 62.24 O ATOM 1450 CB GLN A 85 -2.742 -8.280 -16.783 1.00 61.12 C ATOM 1451 CG GLN A 85 -2.552 -8.408 -18.310 1.00 43.31 C ATOM 1452 CD GLN A 85 -2.351 -9.859 -18.756 1.00 32.52 C ATOM 1453 OE1 GLN A 85 -3.304 -10.565 -19.079 1.00 70.23 O ATOM 1454 NE2 GLN A 85 -1.106 -10.321 -18.758 1.00 41.01 N ATOM 0 H GLN A 85 -2.844 -7.799 -14.371 1.00 12.32 H new ATOM 0 HA GLN A 85 -1.840 -6.327 -16.630 1.00 44.44 H new ATOM 0 HB2 GLN A 85 -1.960 -8.856 -16.288 1.00 61.12 H new ATOM 0 HB3 GLN A 85 -3.694 -8.738 -16.513 1.00 61.12 H new ATOM 0 HG2 GLN A 85 -3.423 -7.993 -18.817 1.00 43.31 H new ATOM 0 HG3 GLN A 85 -1.691 -7.814 -18.617 1.00 43.31 H new ATOM 0 HE21 GLN A 85 -0.335 -9.711 -18.485 1.00 41.01 H new ATOM 0 HE22 GLN A 85 -0.920 -11.286 -19.033 1.00 41.01 H new ATOM 1463 N ASP A 86 -4.980 -5.898 -15.806 1.00 34.51 N ATOM 1464 CA ASP A 86 -6.086 -4.933 -16.000 1.00 43.11 C ATOM 1465 C ASP A 86 -5.639 -3.600 -15.376 1.00 11.40 C ATOM 1466 O ASP A 86 -6.128 -3.162 -14.327 1.00 32.31 O ATOM 1467 CB ASP A 86 -7.434 -5.434 -15.386 1.00 1.25 C ATOM 1468 CG ASP A 86 -8.695 -4.720 -15.945 1.00 43.11 C ATOM 1469 OD1 ASP A 86 -8.751 -3.467 -15.958 1.00 12.31 O ATOM 1470 OD2 ASP A 86 -9.654 -5.417 -16.368 1.00 55.31 O ATOM 0 H ASP A 86 -5.068 -6.465 -14.963 1.00 34.51 H new ATOM 0 HA ASP A 86 -6.287 -4.812 -17.064 1.00 43.11 H new ATOM 0 HB2 ASP A 86 -7.527 -6.505 -15.567 1.00 1.25 H new ATOM 0 HB3 ASP A 86 -7.401 -5.295 -14.305 1.00 1.25 H new ATOM 1475 N GLU A 87 -4.649 -2.991 -16.031 1.00 43.23 N ATOM 1476 CA GLU A 87 -4.076 -1.695 -15.646 1.00 11.12 C ATOM 1477 C GLU A 87 -5.048 -0.546 -15.946 1.00 64.01 C ATOM 1478 O GLU A 87 -4.834 0.583 -15.506 1.00 73.32 O ATOM 1479 CB GLU A 87 -2.690 -1.512 -16.322 1.00 4.04 C ATOM 1480 CG GLU A 87 -2.626 -1.689 -17.870 1.00 34.24 C ATOM 1481 CD GLU A 87 -3.081 -0.456 -18.676 1.00 1.21 C ATOM 1482 OE1 GLU A 87 -2.307 0.521 -18.764 1.00 63.35 O ATOM 1483 OE2 GLU A 87 -4.219 -0.442 -19.187 1.00 62.10 O ATOM 0 H GLU A 87 -4.212 -3.391 -16.861 1.00 43.23 H new ATOM 0 HA GLU A 87 -3.918 -1.676 -14.568 1.00 11.12 H new ATOM 0 HB2 GLU A 87 -2.325 -0.514 -16.080 1.00 4.04 H new ATOM 0 HB3 GLU A 87 -1.997 -2.223 -15.871 1.00 4.04 H new ATOM 0 HG2 GLU A 87 -1.602 -1.934 -18.153 1.00 34.24 H new ATOM 0 HG3 GLU A 87 -3.246 -2.540 -18.151 1.00 34.24 H new ATOM 1490 N ASN A 88 -6.077 -0.865 -16.749 1.00 64.11 N ATOM 1491 CA ASN A 88 -7.202 0.021 -17.052 1.00 21.01 C ATOM 1492 C ASN A 88 -7.925 0.447 -15.756 1.00 44.43 C ATOM 1493 O ASN A 88 -8.079 1.648 -15.499 1.00 43.24 O ATOM 1494 CB ASN A 88 -8.171 -0.708 -18.018 1.00 64.22 C ATOM 1495 CG ASN A 88 -9.414 0.094 -18.416 1.00 34.34 C ATOM 1496 OD1 ASN A 88 -9.384 1.322 -18.510 1.00 5.20 O ATOM 1497 ND2 ASN A 88 -10.511 -0.601 -18.672 1.00 4.42 N ATOM 0 H ASN A 88 -6.147 -1.770 -17.215 1.00 64.11 H new ATOM 0 HA ASN A 88 -6.834 0.928 -17.532 1.00 21.01 H new ATOM 0 HB2 ASN A 88 -7.625 -0.976 -18.923 1.00 64.22 H new ATOM 0 HB3 ASN A 88 -8.492 -1.640 -17.552 1.00 64.22 H new ATOM 0 HD21 ASN A 88 -11.364 -0.120 -18.957 1.00 4.42 H new ATOM 0 HD22 ASN A 88 -10.503 -1.617 -18.585 1.00 4.42 H new ATOM 1504 N GLU A 89 -8.339 -0.545 -14.931 1.00 20.15 N ATOM 1505 CA GLU A 89 -9.052 -0.267 -13.668 1.00 62.54 C ATOM 1506 C GLU A 89 -8.107 0.312 -12.599 1.00 35.04 C ATOM 1507 O GLU A 89 -8.559 1.033 -11.706 1.00 60.05 O ATOM 1508 CB GLU A 89 -9.770 -1.520 -13.110 1.00 75.23 C ATOM 1509 CG GLU A 89 -8.853 -2.650 -12.588 1.00 4.41 C ATOM 1510 CD GLU A 89 -9.630 -3.699 -11.779 1.00 13.13 C ATOM 1511 OE1 GLU A 89 -9.808 -3.507 -10.549 1.00 24.54 O ATOM 1512 OE2 GLU A 89 -10.114 -4.685 -12.367 1.00 24.24 O ATOM 0 H GLU A 89 -8.191 -1.537 -15.119 1.00 20.15 H new ATOM 0 HA GLU A 89 -9.811 0.478 -13.907 1.00 62.54 H new ATOM 0 HB2 GLU A 89 -10.426 -1.207 -12.298 1.00 75.23 H new ATOM 0 HB3 GLU A 89 -10.407 -1.929 -13.894 1.00 75.23 H new ATOM 0 HG2 GLU A 89 -8.361 -3.135 -13.431 1.00 4.41 H new ATOM 0 HG3 GLU A 89 -8.069 -2.221 -11.965 1.00 4.41 H new ATOM 1519 N LEU A 90 -6.804 -0.038 -12.683 1.00 71.55 N ATOM 1520 CA LEU A 90 -5.768 0.512 -11.786 1.00 33.23 C ATOM 1521 C LEU A 90 -5.542 2.000 -12.078 1.00 24.24 C ATOM 1522 O LEU A 90 -5.306 2.787 -11.162 1.00 44.41 O ATOM 1523 CB LEU A 90 -4.425 -0.246 -11.943 1.00 32.04 C ATOM 1524 CG LEU A 90 -4.455 -1.778 -11.674 1.00 22.14 C ATOM 1525 CD1 LEU A 90 -3.048 -2.373 -11.836 1.00 62.40 C ATOM 1526 CD2 LEU A 90 -5.059 -2.110 -10.285 1.00 45.12 C ATOM 0 H LEU A 90 -6.445 -0.703 -13.368 1.00 71.55 H new ATOM 0 HA LEU A 90 -6.123 0.388 -10.763 1.00 33.23 H new ATOM 0 HB2 LEU A 90 -4.059 -0.085 -12.957 1.00 32.04 H new ATOM 0 HB3 LEU A 90 -3.698 0.205 -11.267 1.00 32.04 H new ATOM 0 HG LEU A 90 -5.109 -2.238 -12.415 1.00 22.14 H new ATOM 0 HD11 LEU A 90 -3.082 -3.446 -11.645 1.00 62.40 H new ATOM 0 HD12 LEU A 90 -2.693 -2.196 -12.851 1.00 62.40 H new ATOM 0 HD13 LEU A 90 -2.369 -1.900 -11.127 1.00 62.40 H new ATOM 0 HD21 LEU A 90 -5.061 -3.190 -10.138 1.00 45.12 H new ATOM 0 HD22 LEU A 90 -4.460 -1.639 -9.506 1.00 45.12 H new ATOM 0 HD23 LEU A 90 -6.081 -1.735 -10.234 1.00 45.12 H new ATOM 1538 N GLU A 91 -5.620 2.361 -13.374 1.00 41.04 N ATOM 1539 CA GLU A 91 -5.441 3.743 -13.836 1.00 71.33 C ATOM 1540 C GLU A 91 -6.639 4.603 -13.405 1.00 71.12 C ATOM 1541 O GLU A 91 -6.494 5.795 -13.183 1.00 44.53 O ATOM 1542 CB GLU A 91 -5.266 3.792 -15.377 1.00 42.34 C ATOM 1543 CG GLU A 91 -4.834 5.171 -15.938 1.00 74.24 C ATOM 1544 CD GLU A 91 -3.408 5.577 -15.511 1.00 21.41 C ATOM 1545 OE1 GLU A 91 -2.428 5.044 -16.078 1.00 52.32 O ATOM 1546 OE2 GLU A 91 -3.249 6.429 -14.614 1.00 72.43 O ATOM 0 H GLU A 91 -5.809 1.699 -14.127 1.00 41.04 H new ATOM 0 HA GLU A 91 -4.536 4.144 -13.380 1.00 71.33 H new ATOM 0 HB2 GLU A 91 -4.524 3.048 -15.668 1.00 42.34 H new ATOM 0 HB3 GLU A 91 -6.207 3.504 -15.845 1.00 42.34 H new ATOM 0 HG2 GLU A 91 -4.888 5.147 -17.026 1.00 74.24 H new ATOM 0 HG3 GLU A 91 -5.538 5.931 -15.600 1.00 74.24 H new ATOM 1553 N GLU A 92 -7.817 3.971 -13.286 1.00 51.54 N ATOM 1554 CA GLU A 92 -9.044 4.635 -12.819 1.00 20.02 C ATOM 1555 C GLU A 92 -9.005 4.771 -11.276 1.00 3.40 C ATOM 1556 O GLU A 92 -9.412 5.795 -10.722 1.00 31.21 O ATOM 1557 CB GLU A 92 -10.298 3.821 -13.297 1.00 34.31 C ATOM 1558 CG GLU A 92 -11.525 4.664 -13.731 1.00 63.43 C ATOM 1559 CD GLU A 92 -12.177 5.492 -12.613 1.00 72.25 C ATOM 1560 OE1 GLU A 92 -11.762 6.653 -12.377 1.00 22.44 O ATOM 1561 OE2 GLU A 92 -13.102 4.982 -11.946 1.00 14.02 O ATOM 0 H GLU A 92 -7.946 2.984 -13.511 1.00 51.54 H new ATOM 0 HA GLU A 92 -9.112 5.637 -13.243 1.00 20.02 H new ATOM 0 HB2 GLU A 92 -10.000 3.190 -14.134 1.00 34.31 H new ATOM 0 HB3 GLU A 92 -10.605 3.156 -12.490 1.00 34.31 H new ATOM 0 HG2 GLU A 92 -11.218 5.339 -14.530 1.00 63.43 H new ATOM 0 HG3 GLU A 92 -12.276 3.995 -14.151 1.00 63.43 H new ATOM 1568 N PHE A 93 -8.493 3.720 -10.606 1.00 40.23 N ATOM 1569 CA PHE A 93 -8.436 3.655 -9.136 1.00 31.14 C ATOM 1570 C PHE A 93 -7.437 4.674 -8.554 1.00 35.02 C ATOM 1571 O PHE A 93 -7.727 5.324 -7.538 1.00 64.32 O ATOM 1572 CB PHE A 93 -8.088 2.225 -8.653 1.00 3.33 C ATOM 1573 CG PHE A 93 -8.084 2.082 -7.128 1.00 45.43 C ATOM 1574 CD1 PHE A 93 -9.245 2.323 -6.391 1.00 34.20 C ATOM 1575 CD2 PHE A 93 -6.924 1.737 -6.435 1.00 53.53 C ATOM 1576 CE1 PHE A 93 -9.239 2.226 -5.019 1.00 44.11 C ATOM 1577 CE2 PHE A 93 -6.923 1.636 -5.060 1.00 32.32 C ATOM 1578 CZ PHE A 93 -8.078 1.883 -4.352 1.00 71.34 C ATOM 0 H PHE A 93 -8.109 2.896 -11.069 1.00 40.23 H new ATOM 0 HA PHE A 93 -9.429 3.914 -8.768 1.00 31.14 H new ATOM 0 HB2 PHE A 93 -8.807 1.522 -9.074 1.00 3.33 H new ATOM 0 HB3 PHE A 93 -7.107 1.948 -9.039 1.00 3.33 H new ATOM 0 HD1 PHE A 93 -10.158 2.588 -6.904 1.00 34.20 H new ATOM 0 HD2 PHE A 93 -6.013 1.546 -6.983 1.00 53.53 H new ATOM 0 HE1 PHE A 93 -10.144 2.418 -4.461 1.00 44.11 H new ATOM 0 HE2 PHE A 93 -6.017 1.363 -4.539 1.00 32.32 H new ATOM 0 HZ PHE A 93 -8.077 1.809 -3.275 1.00 71.34 H new ATOM 1588 N LYS A 94 -6.271 4.814 -9.212 1.00 45.23 N ATOM 1589 CA LYS A 94 -5.213 5.738 -8.765 1.00 63.32 C ATOM 1590 C LYS A 94 -5.695 7.198 -8.794 1.00 1.20 C ATOM 1591 O LYS A 94 -5.171 8.030 -8.071 1.00 44.53 O ATOM 1592 CB LYS A 94 -3.911 5.541 -9.610 1.00 40.31 C ATOM 1593 CG LYS A 94 -4.019 5.838 -11.130 1.00 50.52 C ATOM 1594 CD LYS A 94 -3.798 7.324 -11.522 1.00 54.15 C ATOM 1595 CE LYS A 94 -2.338 7.768 -11.356 1.00 31.35 C ATOM 1596 NZ LYS A 94 -1.428 6.991 -12.245 1.00 54.10 N ATOM 0 H LYS A 94 -6.038 4.296 -10.059 1.00 45.23 H new ATOM 0 HA LYS A 94 -4.974 5.501 -7.728 1.00 63.32 H new ATOM 0 HB2 LYS A 94 -3.133 6.180 -9.192 1.00 40.31 H new ATOM 0 HB3 LYS A 94 -3.577 4.511 -9.487 1.00 40.31 H new ATOM 0 HG2 LYS A 94 -3.288 5.225 -11.658 1.00 50.52 H new ATOM 0 HG3 LYS A 94 -5.005 5.528 -11.477 1.00 50.52 H new ATOM 0 HD2 LYS A 94 -4.103 7.472 -12.558 1.00 54.15 H new ATOM 0 HD3 LYS A 94 -4.438 7.957 -10.908 1.00 54.15 H new ATOM 0 HE2 LYS A 94 -2.251 8.830 -11.583 1.00 31.35 H new ATOM 0 HE3 LYS A 94 -2.033 7.638 -10.318 1.00 31.35 H new ATOM 0 HZ1 LYS A 94 -0.596 7.569 -12.481 1.00 54.10 H new ATOM 0 HZ2 LYS A 94 -1.121 6.126 -11.756 1.00 54.10 H new ATOM 0 HZ3 LYS A 94 -1.931 6.735 -13.118 1.00 54.10 H new ATOM 1610 N ARG A 95 -6.703 7.476 -9.653 1.00 44.25 N ATOM 1611 CA ARG A 95 -7.272 8.822 -9.838 1.00 2.43 C ATOM 1612 C ARG A 95 -7.909 9.347 -8.538 1.00 20.33 C ATOM 1613 O ARG A 95 -7.751 10.531 -8.223 1.00 15.32 O ATOM 1614 CB ARG A 95 -8.303 8.808 -11.003 1.00 44.34 C ATOM 1615 CG ARG A 95 -7.706 8.461 -12.393 1.00 44.05 C ATOM 1616 CD ARG A 95 -7.007 9.636 -13.111 1.00 52.13 C ATOM 1617 NE ARG A 95 -5.963 10.307 -12.296 1.00 4.21 N ATOM 1618 CZ ARG A 95 -5.906 11.630 -12.046 1.00 53.35 C ATOM 1619 NH1 ARG A 95 -6.830 12.460 -12.540 1.00 41.11 N ATOM 1620 NH2 ARG A 95 -4.939 12.129 -11.301 1.00 31.21 N ATOM 0 H ARG A 95 -7.143 6.766 -10.238 1.00 44.25 H new ATOM 0 HA ARG A 95 -6.463 9.504 -10.097 1.00 2.43 H new ATOM 0 HB2 ARG A 95 -9.086 8.087 -10.769 1.00 44.34 H new ATOM 0 HB3 ARG A 95 -8.779 9.787 -11.061 1.00 44.34 H new ATOM 0 HG2 ARG A 95 -6.988 7.649 -12.272 1.00 44.05 H new ATOM 0 HG3 ARG A 95 -8.505 8.087 -13.033 1.00 44.05 H new ATOM 0 HD2 ARG A 95 -6.554 9.268 -14.032 1.00 52.13 H new ATOM 0 HD3 ARG A 95 -7.758 10.372 -13.398 1.00 52.13 H new ATOM 0 HE ARG A 95 -5.232 9.721 -11.894 1.00 4.21 H new ATOM 0 HH11 ARG A 95 -7.590 12.094 -13.114 1.00 41.11 H new ATOM 0 HH12 ARG A 95 -6.775 13.459 -12.343 1.00 41.11 H new ATOM 0 HH21 ARG A 95 -4.227 11.512 -10.909 1.00 31.21 H new ATOM 0 HH22 ARG A 95 -4.903 13.132 -11.117 1.00 31.21 H new ATOM 1634 N LYS A 96 -8.603 8.458 -7.780 1.00 70.14 N ATOM 1635 CA LYS A 96 -9.221 8.842 -6.486 1.00 74.12 C ATOM 1636 C LYS A 96 -8.126 9.125 -5.456 1.00 42.30 C ATOM 1637 O LYS A 96 -8.099 10.183 -4.840 1.00 34.21 O ATOM 1638 CB LYS A 96 -10.176 7.751 -5.890 1.00 2.11 C ATOM 1639 CG LYS A 96 -11.312 7.250 -6.815 1.00 70.14 C ATOM 1640 CD LYS A 96 -10.874 6.060 -7.689 1.00 42.13 C ATOM 1641 CE LYS A 96 -12.001 5.494 -8.555 1.00 24.20 C ATOM 1642 NZ LYS A 96 -12.462 6.464 -9.582 1.00 55.21 N ATOM 0 H LYS A 96 -8.747 7.482 -8.040 1.00 70.14 H new ATOM 0 HA LYS A 96 -9.822 9.727 -6.695 1.00 74.12 H new ATOM 0 HB2 LYS A 96 -9.572 6.893 -5.595 1.00 2.11 H new ATOM 0 HB3 LYS A 96 -10.627 8.151 -4.982 1.00 2.11 H new ATOM 0 HG2 LYS A 96 -12.168 6.956 -6.208 1.00 70.14 H new ATOM 0 HG3 LYS A 96 -11.642 8.067 -7.457 1.00 70.14 H new ATOM 0 HD2 LYS A 96 -10.054 6.375 -8.334 1.00 42.13 H new ATOM 0 HD3 LYS A 96 -10.488 5.269 -7.046 1.00 42.13 H new ATOM 0 HE2 LYS A 96 -11.657 4.584 -9.046 1.00 24.20 H new ATOM 0 HE3 LYS A 96 -12.841 5.215 -7.918 1.00 24.20 H new ATOM 0 HZ1 LYS A 96 -13.060 5.975 -10.278 1.00 55.21 H new ATOM 0 HZ2 LYS A 96 -13.011 7.219 -9.124 1.00 55.21 H new ATOM 0 HZ3 LYS A 96 -11.638 6.878 -10.063 1.00 55.21 H new ATOM 1656 N ILE A 97 -7.206 8.153 -5.337 1.00 43.11 N ATOM 1657 CA ILE A 97 -6.178 8.102 -4.281 1.00 55.23 C ATOM 1658 C ILE A 97 -5.201 9.294 -4.389 1.00 22.55 C ATOM 1659 O ILE A 97 -4.811 9.893 -3.379 1.00 43.20 O ATOM 1660 CB ILE A 97 -5.385 6.739 -4.361 1.00 61.05 C ATOM 1661 CG1 ILE A 97 -6.369 5.513 -4.400 1.00 20.02 C ATOM 1662 CG2 ILE A 97 -4.366 6.607 -3.203 1.00 63.25 C ATOM 1663 CD1 ILE A 97 -7.360 5.433 -3.247 1.00 45.34 C ATOM 0 H ILE A 97 -7.154 7.366 -5.983 1.00 43.11 H new ATOM 0 HA ILE A 97 -6.682 8.168 -3.317 1.00 55.23 H new ATOM 0 HB ILE A 97 -4.819 6.741 -5.293 1.00 61.05 H new ATOM 0 HG12 ILE A 97 -6.928 5.547 -5.335 1.00 20.02 H new ATOM 0 HG13 ILE A 97 -5.780 4.596 -4.414 1.00 20.02 H new ATOM 0 HG21 ILE A 97 -3.838 5.657 -3.289 1.00 63.25 H new ATOM 0 HG22 ILE A 97 -3.649 7.427 -3.254 1.00 63.25 H new ATOM 0 HG23 ILE A 97 -4.892 6.644 -2.249 1.00 63.25 H new ATOM 0 HD11 ILE A 97 -7.991 4.553 -3.370 1.00 45.34 H new ATOM 0 HD12 ILE A 97 -6.817 5.362 -2.305 1.00 45.34 H new ATOM 0 HD13 ILE A 97 -7.983 6.327 -3.240 1.00 45.34 H new ATOM 1675 N GLU A 98 -4.858 9.632 -5.636 1.00 3.14 N ATOM 1676 CA GLU A 98 -3.953 10.743 -5.974 1.00 11.12 C ATOM 1677 C GLU A 98 -4.630 12.097 -5.674 1.00 12.42 C ATOM 1678 O GLU A 98 -3.969 13.052 -5.260 1.00 23.23 O ATOM 1679 CB GLU A 98 -3.543 10.604 -7.466 1.00 41.13 C ATOM 1680 CG GLU A 98 -2.371 11.492 -7.933 1.00 72.21 C ATOM 1681 CD GLU A 98 -1.778 11.013 -9.274 1.00 35.20 C ATOM 1682 OE1 GLU A 98 -2.362 11.314 -10.337 1.00 63.34 O ATOM 1683 OE2 GLU A 98 -0.749 10.292 -9.265 1.00 45.04 O ATOM 0 H GLU A 98 -5.206 9.134 -6.456 1.00 3.14 H new ATOM 0 HA GLU A 98 -3.052 10.705 -5.362 1.00 11.12 H new ATOM 0 HB2 GLU A 98 -3.281 9.563 -7.654 1.00 41.13 H new ATOM 0 HB3 GLU A 98 -4.412 10.830 -8.083 1.00 41.13 H new ATOM 0 HG2 GLU A 98 -2.715 12.521 -8.036 1.00 72.21 H new ATOM 0 HG3 GLU A 98 -1.591 11.492 -7.172 1.00 72.21 H new ATOM 1690 N SER A 99 -5.971 12.138 -5.843 1.00 73.14 N ATOM 1691 CA SER A 99 -6.798 13.317 -5.505 1.00 54.31 C ATOM 1692 C SER A 99 -7.010 13.435 -3.977 1.00 40.11 C ATOM 1693 O SER A 99 -7.199 14.543 -3.459 1.00 22.40 O ATOM 1694 CB SER A 99 -8.159 13.242 -6.233 1.00 22.11 C ATOM 1695 OG SER A 99 -7.991 13.270 -7.640 1.00 63.30 O ATOM 0 H SER A 99 -6.509 11.356 -6.217 1.00 73.14 H new ATOM 0 HA SER A 99 -6.267 14.208 -5.839 1.00 54.31 H new ATOM 0 HB2 SER A 99 -8.679 12.328 -5.944 1.00 22.11 H new ATOM 0 HB3 SER A 99 -8.787 14.077 -5.923 1.00 22.11 H new ATOM 0 HG SER A 99 -7.908 12.354 -7.978 1.00 63.30 H new ATOM 1701 N GLN A 100 -6.971 12.283 -3.269 1.00 43.24 N ATOM 1702 CA GLN A 100 -7.057 12.228 -1.791 1.00 0.02 C ATOM 1703 C GLN A 100 -5.742 12.714 -1.147 1.00 41.22 C ATOM 1704 O GLN A 100 -5.701 12.973 0.058 1.00 31.45 O ATOM 1705 CB GLN A 100 -7.384 10.782 -1.313 1.00 3.03 C ATOM 1706 CG GLN A 100 -8.777 10.248 -1.727 1.00 42.04 C ATOM 1707 CD GLN A 100 -9.067 8.809 -1.256 1.00 62.14 C ATOM 1708 OE1 GLN A 100 -9.760 8.050 -1.936 1.00 3.01 O ATOM 1709 NE2 GLN A 100 -8.596 8.440 -0.065 1.00 40.52 N ATOM 0 H GLN A 100 -6.879 11.366 -3.706 1.00 43.24 H new ATOM 0 HA GLN A 100 -7.863 12.891 -1.476 1.00 0.02 H new ATOM 0 HB2 GLN A 100 -6.623 10.107 -1.704 1.00 3.03 H new ATOM 0 HB3 GLN A 100 -7.309 10.751 -0.226 1.00 3.03 H new ATOM 0 HG2 GLN A 100 -9.542 10.911 -1.324 1.00 42.04 H new ATOM 0 HG3 GLN A 100 -8.861 10.287 -2.813 1.00 42.04 H new ATOM 0 HE21 GLN A 100 -8.024 9.086 0.480 1.00 40.52 H new ATOM 0 HE22 GLN A 100 -8.807 7.512 0.302 1.00 40.52 H new ATOM 1718 N GLY A 101 -4.677 12.826 -1.963 1.00 73.24 N ATOM 1719 CA GLY A 101 -3.374 13.301 -1.500 1.00 73.12 C ATOM 1720 C GLY A 101 -2.529 12.186 -0.913 1.00 14.45 C ATOM 1721 O GLY A 101 -1.736 12.410 0.007 1.00 25.43 O ATOM 0 H GLY A 101 -4.702 12.589 -2.955 1.00 73.24 H new ATOM 0 HA2 GLY A 101 -2.840 13.758 -2.333 1.00 73.12 H new ATOM 0 HA3 GLY A 101 -3.519 14.078 -0.749 1.00 73.12 H new ATOM 1725 N TYR A 102 -2.713 10.967 -1.442 1.00 32.45 N ATOM 1726 CA TYR A 102 -1.913 9.789 -1.060 1.00 63.51 C ATOM 1727 C TYR A 102 -1.046 9.348 -2.229 1.00 22.21 C ATOM 1728 O TYR A 102 -1.448 9.473 -3.398 1.00 1.43 O ATOM 1729 CB TYR A 102 -2.816 8.626 -0.584 1.00 65.03 C ATOM 1730 CG TYR A 102 -3.502 8.904 0.748 1.00 52.44 C ATOM 1731 CD1 TYR A 102 -2.760 8.926 1.927 1.00 64.04 C ATOM 1732 CD2 TYR A 102 -4.869 9.163 0.827 1.00 53.40 C ATOM 1733 CE1 TYR A 102 -3.355 9.188 3.134 1.00 22.42 C ATOM 1734 CE2 TYR A 102 -5.469 9.430 2.034 1.00 71.23 C ATOM 1735 CZ TYR A 102 -4.705 9.440 3.184 1.00 75.55 C ATOM 1736 OH TYR A 102 -5.294 9.699 4.388 1.00 4.22 O ATOM 0 H TYR A 102 -3.422 10.768 -2.148 1.00 32.45 H new ATOM 0 HA TYR A 102 -1.269 10.070 -0.226 1.00 63.51 H new ATOM 0 HB2 TYR A 102 -3.575 8.430 -1.342 1.00 65.03 H new ATOM 0 HB3 TYR A 102 -2.215 7.721 -0.494 1.00 65.03 H new ATOM 0 HD1 TYR A 102 -1.698 8.733 1.889 1.00 64.04 H new ATOM 0 HD2 TYR A 102 -5.465 9.154 -0.073 1.00 53.40 H new ATOM 0 HE1 TYR A 102 -2.767 9.196 4.040 1.00 22.42 H new ATOM 0 HE2 TYR A 102 -6.529 9.630 2.083 1.00 71.23 H new ATOM 0 HH TYR A 102 -6.143 9.214 4.448 1.00 4.22 H new ATOM 1746 N GLU A 103 0.155 8.847 -1.897 1.00 71.43 N ATOM 1747 CA GLU A 103 1.111 8.336 -2.872 1.00 32.42 C ATOM 1748 C GLU A 103 0.552 7.055 -3.490 1.00 25.12 C ATOM 1749 O GLU A 103 0.268 6.104 -2.767 1.00 64.11 O ATOM 1750 CB GLU A 103 2.473 8.052 -2.193 1.00 24.24 C ATOM 1751 CG GLU A 103 3.621 7.673 -3.149 1.00 44.03 C ATOM 1752 CD GLU A 103 4.056 8.848 -4.033 1.00 40.12 C ATOM 1753 OE1 GLU A 103 3.465 9.047 -5.115 1.00 63.40 O ATOM 1754 OE2 GLU A 103 4.968 9.605 -3.627 1.00 30.43 O ATOM 0 H GLU A 103 0.485 8.788 -0.934 1.00 71.43 H new ATOM 0 HA GLU A 103 1.268 9.081 -3.652 1.00 32.42 H new ATOM 0 HB2 GLU A 103 2.770 8.936 -1.628 1.00 24.24 H new ATOM 0 HB3 GLU A 103 2.340 7.244 -1.474 1.00 24.24 H new ATOM 0 HG2 GLU A 103 4.474 7.324 -2.568 1.00 44.03 H new ATOM 0 HG3 GLU A 103 3.305 6.843 -3.781 1.00 44.03 H new ATOM 1761 N VAL A 104 0.364 7.063 -4.809 1.00 32.51 N ATOM 1762 CA VAL A 104 -0.149 5.910 -5.552 1.00 73.43 C ATOM 1763 C VAL A 104 0.625 5.766 -6.867 1.00 5.41 C ATOM 1764 O VAL A 104 0.861 6.749 -7.581 1.00 32.31 O ATOM 1765 CB VAL A 104 -1.696 6.017 -5.807 1.00 32.33 C ATOM 1766 CG1 VAL A 104 -2.075 7.286 -6.608 1.00 4.44 C ATOM 1767 CG2 VAL A 104 -2.241 4.732 -6.474 1.00 74.35 C ATOM 0 H VAL A 104 0.564 7.873 -5.396 1.00 32.51 H new ATOM 0 HA VAL A 104 0.003 5.015 -4.949 1.00 73.43 H new ATOM 0 HB VAL A 104 -2.176 6.115 -4.833 1.00 32.33 H new ATOM 0 HG11 VAL A 104 -3.154 7.313 -6.758 1.00 4.44 H new ATOM 0 HG12 VAL A 104 -1.763 8.172 -6.055 1.00 4.44 H new ATOM 0 HG13 VAL A 104 -1.575 7.268 -7.576 1.00 4.44 H new ATOM 0 HG21 VAL A 104 -3.314 4.834 -6.639 1.00 74.35 H new ATOM 0 HG22 VAL A 104 -1.740 4.578 -7.430 1.00 74.35 H new ATOM 0 HG23 VAL A 104 -2.054 3.877 -5.824 1.00 74.35 H new ATOM 1777 N ARG A 105 1.039 4.531 -7.169 1.00 61.25 N ATOM 1778 CA ARG A 105 1.896 4.221 -8.314 1.00 24.12 C ATOM 1779 C ARG A 105 1.280 3.068 -9.106 1.00 53.41 C ATOM 1780 O ARG A 105 1.073 1.980 -8.574 1.00 74.44 O ATOM 1781 CB ARG A 105 3.334 3.894 -7.822 1.00 40.22 C ATOM 1782 CG ARG A 105 4.043 5.098 -7.148 1.00 4.30 C ATOM 1783 CD ARG A 105 4.242 6.276 -8.120 1.00 72.52 C ATOM 1784 NE ARG A 105 4.555 7.531 -7.428 1.00 11.03 N ATOM 1785 CZ ARG A 105 5.216 8.573 -7.959 1.00 11.13 C ATOM 1786 NH1 ARG A 105 5.674 8.540 -9.211 1.00 32.43 N ATOM 1787 NH2 ARG A 105 5.365 9.675 -7.250 1.00 61.14 N ATOM 0 H ARG A 105 0.785 3.711 -6.618 1.00 61.25 H new ATOM 0 HA ARG A 105 1.969 5.082 -8.978 1.00 24.12 H new ATOM 0 HB2 ARG A 105 3.289 3.066 -7.114 1.00 40.22 H new ATOM 0 HB3 ARG A 105 3.932 3.557 -8.669 1.00 40.22 H new ATOM 0 HG2 ARG A 105 3.455 5.431 -6.292 1.00 4.30 H new ATOM 0 HG3 ARG A 105 5.012 4.778 -6.764 1.00 4.30 H new ATOM 0 HD2 ARG A 105 5.048 6.037 -8.814 1.00 72.52 H new ATOM 0 HD3 ARG A 105 3.338 6.409 -8.714 1.00 72.52 H new ATOM 0 HE ARG A 105 4.244 7.620 -6.461 1.00 11.03 H new ATOM 0 HH11 ARG A 105 5.525 7.711 -9.787 1.00 32.43 H new ATOM 0 HH12 ARG A 105 6.173 9.343 -9.593 1.00 32.43 H new ATOM 0 HH21 ARG A 105 4.980 9.731 -6.307 1.00 61.14 H new ATOM 0 HH22 ARG A 105 5.865 10.471 -7.645 1.00 61.14 H new ATOM 1801 N LYS A 106 0.967 3.346 -10.375 1.00 54.24 N ATOM 1802 CA LYS A 106 0.327 2.400 -11.285 1.00 42.20 C ATOM 1803 C LYS A 106 1.418 1.690 -12.110 1.00 75.31 C ATOM 1804 O LYS A 106 2.194 2.343 -12.812 1.00 72.21 O ATOM 1805 CB LYS A 106 -0.716 3.173 -12.169 1.00 2.52 C ATOM 1806 CG LYS A 106 -1.339 2.385 -13.361 1.00 51.21 C ATOM 1807 CD LYS A 106 -0.508 2.520 -14.669 1.00 63.42 C ATOM 1808 CE LYS A 106 -1.048 1.678 -15.818 1.00 31.23 C ATOM 1809 NZ LYS A 106 -2.418 2.090 -16.234 1.00 33.05 N ATOM 0 H LYS A 106 1.156 4.252 -10.803 1.00 54.24 H new ATOM 0 HA LYS A 106 -0.221 1.628 -10.745 1.00 42.20 H new ATOM 0 HB2 LYS A 106 -1.526 3.511 -11.523 1.00 2.52 H new ATOM 0 HB3 LYS A 106 -0.232 4.065 -12.566 1.00 2.52 H new ATOM 0 HG2 LYS A 106 -1.418 1.331 -13.093 1.00 51.21 H new ATOM 0 HG3 LYS A 106 -2.352 2.746 -13.540 1.00 51.21 H new ATOM 0 HD2 LYS A 106 -0.490 3.567 -14.973 1.00 63.42 H new ATOM 0 HD3 LYS A 106 0.523 2.228 -14.468 1.00 63.42 H new ATOM 0 HE2 LYS A 106 -0.374 1.758 -16.671 1.00 31.23 H new ATOM 0 HE3 LYS A 106 -1.062 0.630 -15.520 1.00 31.23 H new ATOM 0 HZ1 LYS A 106 -2.582 1.804 -17.220 1.00 33.05 H new ATOM 0 HZ2 LYS A 106 -3.120 1.631 -15.619 1.00 33.05 H new ATOM 0 HZ3 LYS A 106 -2.509 3.123 -16.154 1.00 33.05 H new ATOM 1823 N VAL A 107 1.472 0.356 -11.989 1.00 5.50 N ATOM 1824 CA VAL A 107 2.403 -0.525 -12.738 1.00 12.24 C ATOM 1825 C VAL A 107 1.644 -1.801 -13.188 1.00 22.25 C ATOM 1826 O VAL A 107 0.421 -1.901 -13.009 1.00 51.04 O ATOM 1827 CB VAL A 107 3.673 -0.925 -11.874 1.00 70.02 C ATOM 1828 CG1 VAL A 107 4.505 0.313 -11.463 1.00 61.51 C ATOM 1829 CG2 VAL A 107 3.278 -1.759 -10.640 1.00 13.43 C ATOM 0 H VAL A 107 0.860 -0.159 -11.356 1.00 5.50 H new ATOM 0 HA VAL A 107 2.765 0.026 -13.606 1.00 12.24 H new ATOM 0 HB VAL A 107 4.304 -1.547 -12.509 1.00 70.02 H new ATOM 0 HG11 VAL A 107 5.365 -0.006 -10.873 1.00 61.51 H new ATOM 0 HG12 VAL A 107 4.851 0.832 -12.357 1.00 61.51 H new ATOM 0 HG13 VAL A 107 3.887 0.986 -10.869 1.00 61.51 H new ATOM 0 HG21 VAL A 107 4.173 -2.015 -10.072 1.00 13.43 H new ATOM 0 HG22 VAL A 107 2.602 -1.180 -10.011 1.00 13.43 H new ATOM 0 HG23 VAL A 107 2.780 -2.673 -10.963 1.00 13.43 H new ATOM 1839 N THR A 108 2.374 -2.758 -13.791 1.00 24.12 N ATOM 1840 CA THR A 108 1.831 -4.058 -14.244 1.00 40.44 C ATOM 1841 C THR A 108 2.835 -5.181 -13.934 1.00 53.20 C ATOM 1842 O THR A 108 2.512 -6.166 -13.255 1.00 22.42 O ATOM 1843 CB THR A 108 1.557 -4.056 -15.793 1.00 44.14 C ATOM 1844 OG1 THR A 108 2.743 -3.655 -16.500 1.00 60.13 O ATOM 1845 CG2 THR A 108 0.411 -3.124 -16.188 1.00 45.40 C ATOM 0 H THR A 108 3.370 -2.651 -13.981 1.00 24.12 H new ATOM 0 HA THR A 108 0.893 -4.224 -13.715 1.00 40.44 H new ATOM 0 HB THR A 108 1.271 -5.073 -16.062 1.00 44.14 H new ATOM 0 HG1 THR A 108 2.566 -3.657 -17.464 1.00 60.13 H new ATOM 0 HG21 THR A 108 0.266 -3.163 -17.268 1.00 45.40 H new ATOM 0 HG22 THR A 108 -0.504 -3.440 -15.688 1.00 45.40 H new ATOM 0 HG23 THR A 108 0.653 -2.104 -15.891 1.00 45.40 H new ATOM 1853 N ASP A 109 4.064 -4.978 -14.430 1.00 3.33 N ATOM 1854 CA ASP A 109 5.107 -6.011 -14.511 1.00 51.02 C ATOM 1855 C ASP A 109 5.716 -6.328 -13.128 1.00 62.54 C ATOM 1856 O ASP A 109 5.650 -5.510 -12.206 1.00 60.04 O ATOM 1857 CB ASP A 109 6.190 -5.539 -15.527 1.00 1.31 C ATOM 1858 CG ASP A 109 7.383 -6.500 -15.691 1.00 63.41 C ATOM 1859 OD1 ASP A 109 7.295 -7.438 -16.508 1.00 54.41 O ATOM 1860 OD2 ASP A 109 8.403 -6.325 -14.989 1.00 15.24 O ATOM 0 H ASP A 109 4.367 -4.074 -14.793 1.00 3.33 H new ATOM 0 HA ASP A 109 4.664 -6.944 -14.859 1.00 51.02 H new ATOM 0 HB2 ASP A 109 5.719 -5.398 -16.500 1.00 1.31 H new ATOM 0 HB3 ASP A 109 6.566 -4.566 -15.210 1.00 1.31 H new ATOM 1865 N ASP A 110 6.316 -7.528 -13.033 1.00 62.14 N ATOM 1866 CA ASP A 110 6.917 -8.073 -11.802 1.00 54.33 C ATOM 1867 C ASP A 110 8.034 -7.155 -11.261 1.00 0.34 C ATOM 1868 O ASP A 110 7.930 -6.642 -10.138 1.00 50.13 O ATOM 1869 CB ASP A 110 7.475 -9.492 -12.116 1.00 62.23 C ATOM 1870 CG ASP A 110 8.195 -10.174 -10.934 1.00 64.13 C ATOM 1871 OD1 ASP A 110 9.401 -9.915 -10.729 1.00 73.31 O ATOM 1872 OD2 ASP A 110 7.573 -10.992 -10.225 1.00 22.24 O ATOM 0 H ASP A 110 6.398 -8.161 -13.829 1.00 62.14 H new ATOM 0 HA ASP A 110 6.154 -8.133 -11.026 1.00 54.33 H new ATOM 0 HB2 ASP A 110 6.651 -10.129 -12.439 1.00 62.23 H new ATOM 0 HB3 ASP A 110 8.169 -9.418 -12.954 1.00 62.23 H new ATOM 1877 N GLU A 111 9.083 -6.922 -12.081 1.00 53.41 N ATOM 1878 CA GLU A 111 10.267 -6.152 -11.647 1.00 15.40 C ATOM 1879 C GLU A 111 9.970 -4.644 -11.661 1.00 33.24 C ATOM 1880 O GLU A 111 10.621 -3.872 -10.946 1.00 12.34 O ATOM 1881 CB GLU A 111 11.523 -6.482 -12.502 1.00 13.41 C ATOM 1882 CG GLU A 111 11.548 -5.888 -13.926 1.00 12.33 C ATOM 1883 CD GLU A 111 12.880 -6.137 -14.656 1.00 13.21 C ATOM 1884 OE1 GLU A 111 13.802 -5.298 -14.543 1.00 71.11 O ATOM 1885 OE2 GLU A 111 13.023 -7.185 -15.320 1.00 35.42 O ATOM 0 H GLU A 111 9.133 -7.256 -13.044 1.00 53.41 H new ATOM 0 HA GLU A 111 10.491 -6.450 -10.623 1.00 15.40 H new ATOM 0 HB2 GLU A 111 12.405 -6.129 -11.967 1.00 13.41 H new ATOM 0 HB3 GLU A 111 11.610 -7.566 -12.580 1.00 13.41 H new ATOM 0 HG2 GLU A 111 10.734 -6.320 -14.509 1.00 12.33 H new ATOM 0 HG3 GLU A 111 11.365 -4.815 -13.870 1.00 12.33 H new ATOM 1892 N GLU A 112 8.979 -4.246 -12.486 1.00 71.34 N ATOM 1893 CA GLU A 112 8.476 -2.865 -12.539 1.00 3.11 C ATOM 1894 C GLU A 112 7.781 -2.499 -11.213 1.00 60.11 C ATOM 1895 O GLU A 112 7.840 -1.358 -10.779 1.00 41.21 O ATOM 1896 CB GLU A 112 7.510 -2.708 -13.734 1.00 13.15 C ATOM 1897 CG GLU A 112 6.901 -1.302 -13.908 1.00 34.41 C ATOM 1898 CD GLU A 112 5.889 -1.195 -15.062 1.00 61.11 C ATOM 1899 OE1 GLU A 112 4.979 -2.050 -15.153 1.00 52.34 O ATOM 1900 OE2 GLU A 112 5.991 -0.253 -15.879 1.00 50.04 O ATOM 0 H GLU A 112 8.507 -4.877 -13.133 1.00 71.34 H new ATOM 0 HA GLU A 112 9.313 -2.181 -12.679 1.00 3.11 H new ATOM 0 HB2 GLU A 112 8.043 -2.971 -14.648 1.00 13.15 H new ATOM 0 HB3 GLU A 112 6.698 -3.426 -13.621 1.00 13.15 H new ATOM 0 HG2 GLU A 112 6.409 -1.013 -12.979 1.00 34.41 H new ATOM 0 HG3 GLU A 112 7.706 -0.587 -14.078 1.00 34.41 H new ATOM 1907 N ALA A 113 7.116 -3.484 -10.588 1.00 32.32 N ATOM 1908 CA ALA A 113 6.526 -3.324 -9.252 1.00 62.43 C ATOM 1909 C ALA A 113 7.620 -3.261 -8.171 1.00 42.14 C ATOM 1910 O ALA A 113 7.633 -2.339 -7.348 1.00 20.11 O ATOM 1911 CB ALA A 113 5.540 -4.467 -8.964 1.00 1.23 C ATOM 0 H ALA A 113 6.973 -4.409 -10.994 1.00 32.32 H new ATOM 0 HA ALA A 113 5.979 -2.381 -9.229 1.00 62.43 H new ATOM 0 HB1 ALA A 113 5.111 -4.336 -7.971 1.00 1.23 H new ATOM 0 HB2 ALA A 113 4.743 -4.457 -9.708 1.00 1.23 H new ATOM 0 HB3 ALA A 113 6.066 -5.421 -9.009 1.00 1.23 H new ATOM 1917 N LEU A 114 8.547 -4.241 -8.213 1.00 61.04 N ATOM 1918 CA LEU A 114 9.622 -4.404 -7.206 1.00 32.30 C ATOM 1919 C LEU A 114 10.521 -3.162 -7.098 1.00 43.05 C ATOM 1920 O LEU A 114 10.948 -2.802 -5.992 1.00 75.44 O ATOM 1921 CB LEU A 114 10.479 -5.656 -7.535 1.00 74.43 C ATOM 1922 CG LEU A 114 9.745 -7.026 -7.429 1.00 21.10 C ATOM 1923 CD1 LEU A 114 10.644 -8.179 -7.902 1.00 33.42 C ATOM 1924 CD2 LEU A 114 9.231 -7.274 -5.994 1.00 12.34 C ATOM 0 H LEU A 114 8.573 -4.946 -8.950 1.00 61.04 H new ATOM 0 HA LEU A 114 9.137 -4.535 -6.239 1.00 32.30 H new ATOM 0 HB2 LEU A 114 10.868 -5.551 -8.548 1.00 74.43 H new ATOM 0 HB3 LEU A 114 11.338 -5.672 -6.864 1.00 74.43 H new ATOM 0 HG LEU A 114 8.880 -6.988 -8.091 1.00 21.10 H new ATOM 0 HD11 LEU A 114 10.103 -9.121 -7.816 1.00 33.42 H new ATOM 0 HD12 LEU A 114 10.927 -8.017 -8.942 1.00 33.42 H new ATOM 0 HD13 LEU A 114 11.541 -8.218 -7.284 1.00 33.42 H new ATOM 0 HD21 LEU A 114 8.723 -8.238 -5.951 1.00 12.34 H new ATOM 0 HD22 LEU A 114 10.073 -7.276 -5.301 1.00 12.34 H new ATOM 0 HD23 LEU A 114 8.534 -6.484 -5.716 1.00 12.34 H new ATOM 1936 N LYS A 115 10.786 -2.504 -8.249 1.00 72.12 N ATOM 1937 CA LYS A 115 11.639 -1.306 -8.289 1.00 32.24 C ATOM 1938 C LYS A 115 10.977 -0.140 -7.534 1.00 22.34 C ATOM 1939 O LYS A 115 11.665 0.602 -6.837 1.00 63.11 O ATOM 1940 CB LYS A 115 11.995 -0.894 -9.751 1.00 52.13 C ATOM 1941 CG LYS A 115 10.829 -0.331 -10.596 1.00 45.23 C ATOM 1942 CD LYS A 115 11.222 -0.004 -12.056 1.00 21.11 C ATOM 1943 CE LYS A 115 12.382 1.009 -12.166 1.00 15.00 C ATOM 1944 NZ LYS A 115 12.036 2.325 -11.567 1.00 11.43 N ATOM 0 H LYS A 115 10.420 -2.786 -9.158 1.00 72.12 H new ATOM 0 HA LYS A 115 12.574 -1.554 -7.787 1.00 32.24 H new ATOM 0 HB2 LYS A 115 12.786 -0.145 -9.715 1.00 52.13 H new ATOM 0 HB3 LYS A 115 12.403 -1.765 -10.264 1.00 52.13 H new ATOM 0 HG2 LYS A 115 10.014 -1.054 -10.602 1.00 45.23 H new ATOM 0 HG3 LYS A 115 10.450 0.573 -10.120 1.00 45.23 H new ATOM 0 HD2 LYS A 115 11.505 -0.926 -12.564 1.00 21.11 H new ATOM 0 HD3 LYS A 115 10.352 0.393 -12.579 1.00 21.11 H new ATOM 0 HE2 LYS A 115 13.263 0.605 -11.668 1.00 15.00 H new ATOM 0 HE3 LYS A 115 12.644 1.147 -13.215 1.00 15.00 H new ATOM 0 HZ1 LYS A 115 12.843 2.973 -11.663 1.00 11.43 H new ATOM 0 HZ2 LYS A 115 11.211 2.724 -12.059 1.00 11.43 H new ATOM 0 HZ3 LYS A 115 11.811 2.199 -10.559 1.00 11.43 H new ATOM 1958 N ILE A 116 9.632 -0.028 -7.642 1.00 42.34 N ATOM 1959 CA ILE A 116 8.866 1.048 -6.992 1.00 41.20 C ATOM 1960 C ILE A 116 8.810 0.819 -5.463 1.00 53.31 C ATOM 1961 O ILE A 116 8.742 1.773 -4.698 1.00 4.14 O ATOM 1962 CB ILE A 116 7.401 1.179 -7.559 1.00 61.41 C ATOM 1963 CG1 ILE A 116 7.373 1.202 -9.120 1.00 61.21 C ATOM 1964 CG2 ILE A 116 6.706 2.440 -6.999 1.00 64.14 C ATOM 1965 CD1 ILE A 116 8.011 2.408 -9.787 1.00 42.32 C ATOM 0 H ILE A 116 9.057 -0.677 -8.178 1.00 42.34 H new ATOM 0 HA ILE A 116 9.387 1.980 -7.211 1.00 41.20 H new ATOM 0 HB ILE A 116 6.855 0.295 -7.231 1.00 61.41 H new ATOM 0 HG12 ILE A 116 7.874 0.305 -9.484 1.00 61.21 H new ATOM 0 HG13 ILE A 116 6.334 1.141 -9.444 1.00 61.21 H new ATOM 0 HG21 ILE A 116 5.697 2.509 -7.404 1.00 64.14 H new ATOM 0 HG22 ILE A 116 6.657 2.376 -5.912 1.00 64.14 H new ATOM 0 HG23 ILE A 116 7.273 3.326 -7.285 1.00 64.14 H new ATOM 0 HD11 ILE A 116 7.930 2.310 -10.870 1.00 42.32 H new ATOM 0 HD12 ILE A 116 7.499 3.315 -9.465 1.00 42.32 H new ATOM 0 HD13 ILE A 116 9.063 2.465 -9.506 1.00 42.32 H new ATOM 1977 N VAL A 117 8.844 -0.462 -5.040 1.00 31.42 N ATOM 1978 CA VAL A 117 8.889 -0.845 -3.610 1.00 65.32 C ATOM 1979 C VAL A 117 10.234 -0.420 -2.991 1.00 11.24 C ATOM 1980 O VAL A 117 10.279 0.129 -1.883 1.00 33.13 O ATOM 1981 CB VAL A 117 8.676 -2.393 -3.416 1.00 72.13 C ATOM 1982 CG1 VAL A 117 8.712 -2.798 -1.918 1.00 33.14 C ATOM 1983 CG2 VAL A 117 7.358 -2.848 -4.078 1.00 0.30 C ATOM 0 H VAL A 117 8.841 -1.259 -5.677 1.00 31.42 H new ATOM 0 HA VAL A 117 8.074 -0.328 -3.103 1.00 65.32 H new ATOM 0 HB VAL A 117 9.505 -2.902 -3.908 1.00 72.13 H new ATOM 0 HG11 VAL A 117 8.561 -3.874 -1.828 1.00 33.14 H new ATOM 0 HG12 VAL A 117 9.679 -2.530 -1.492 1.00 33.14 H new ATOM 0 HG13 VAL A 117 7.921 -2.275 -1.380 1.00 33.14 H new ATOM 0 HG21 VAL A 117 7.229 -3.921 -3.933 1.00 0.30 H new ATOM 0 HG22 VAL A 117 6.521 -2.317 -3.624 1.00 0.30 H new ATOM 0 HG23 VAL A 117 7.392 -2.628 -5.145 1.00 0.30 H new ATOM 1993 N ARG A 118 11.326 -0.667 -3.747 1.00 20.15 N ATOM 1994 CA ARG A 118 12.686 -0.243 -3.363 1.00 60.13 C ATOM 1995 C ARG A 118 12.789 1.296 -3.355 1.00 34.24 C ATOM 1996 O ARG A 118 13.560 1.872 -2.579 1.00 35.41 O ATOM 1997 CB ARG A 118 13.745 -0.851 -4.320 1.00 1.23 C ATOM 1998 CG ARG A 118 13.780 -2.394 -4.317 1.00 15.21 C ATOM 1999 CD ARG A 118 14.897 -2.976 -5.201 1.00 3.21 C ATOM 2000 NE ARG A 118 16.239 -2.568 -4.741 1.00 74.03 N ATOM 2001 CZ ARG A 118 17.408 -3.015 -5.237 1.00 2.20 C ATOM 2002 NH1 ARG A 118 17.443 -3.906 -6.230 1.00 52.23 N ATOM 2003 NH2 ARG A 118 18.543 -2.566 -4.726 1.00 64.14 N ATOM 0 H ARG A 118 11.288 -1.164 -4.637 1.00 20.15 H new ATOM 0 HA ARG A 118 12.885 -0.611 -2.356 1.00 60.13 H new ATOM 0 HB2 ARG A 118 13.545 -0.504 -5.334 1.00 1.23 H new ATOM 0 HB3 ARG A 118 14.730 -0.475 -4.042 1.00 1.23 H new ATOM 0 HG2 ARG A 118 13.914 -2.746 -3.294 1.00 15.21 H new ATOM 0 HG3 ARG A 118 12.818 -2.774 -4.661 1.00 15.21 H new ATOM 0 HD2 ARG A 118 14.829 -4.064 -5.200 1.00 3.21 H new ATOM 0 HD3 ARG A 118 14.752 -2.648 -6.230 1.00 3.21 H new ATOM 0 HE ARG A 118 16.285 -1.889 -3.982 1.00 74.03 H new ATOM 0 HH11 ARG A 118 16.573 -4.261 -6.627 1.00 52.23 H new ATOM 0 HH12 ARG A 118 18.339 -4.232 -6.591 1.00 52.23 H new ATOM 0 HH21 ARG A 118 18.526 -1.888 -3.964 1.00 64.14 H new ATOM 0 HH22 ARG A 118 19.435 -2.898 -5.094 1.00 64.14 H new ATOM 2017 N GLU A 119 12.000 1.944 -4.230 1.00 53.54 N ATOM 2018 CA GLU A 119 11.873 3.405 -4.274 1.00 11.20 C ATOM 2019 C GLU A 119 11.103 3.931 -3.056 1.00 11.13 C ATOM 2020 O GLU A 119 11.504 4.925 -2.487 1.00 72.54 O ATOM 2021 CB GLU A 119 11.194 3.860 -5.590 1.00 42.53 C ATOM 2022 CG GLU A 119 12.100 3.770 -6.832 1.00 2.35 C ATOM 2023 CD GLU A 119 11.354 4.055 -8.144 1.00 3.12 C ATOM 2024 OE1 GLU A 119 10.924 5.213 -8.351 1.00 71.34 O ATOM 2025 OE2 GLU A 119 11.182 3.125 -8.962 1.00 30.21 O ATOM 0 H GLU A 119 11.432 1.464 -4.928 1.00 53.54 H new ATOM 0 HA GLU A 119 12.877 3.828 -4.244 1.00 11.20 H new ATOM 0 HB2 GLU A 119 10.306 3.250 -5.757 1.00 42.53 H new ATOM 0 HB3 GLU A 119 10.856 4.890 -5.474 1.00 42.53 H new ATOM 0 HG2 GLU A 119 12.922 4.478 -6.727 1.00 2.35 H new ATOM 0 HG3 GLU A 119 12.542 2.775 -6.881 1.00 2.35 H new ATOM 2032 N PHE A 120 10.017 3.249 -2.641 1.00 35.50 N ATOM 2033 CA PHE A 120 9.205 3.661 -1.463 1.00 73.05 C ATOM 2034 C PHE A 120 10.066 3.802 -0.185 1.00 4.45 C ATOM 2035 O PHE A 120 9.708 4.547 0.727 1.00 34.24 O ATOM 2036 CB PHE A 120 8.035 2.672 -1.216 1.00 44.40 C ATOM 2037 CG PHE A 120 6.890 2.716 -2.237 1.00 31.33 C ATOM 2038 CD1 PHE A 120 6.529 3.905 -2.878 1.00 42.34 C ATOM 2039 CD2 PHE A 120 6.149 1.569 -2.518 1.00 45.02 C ATOM 2040 CE1 PHE A 120 5.473 3.935 -3.769 1.00 55.10 C ATOM 2041 CE2 PHE A 120 5.094 1.604 -3.401 1.00 70.33 C ATOM 2042 CZ PHE A 120 4.752 2.784 -4.027 1.00 22.33 C ATOM 0 H PHE A 120 9.675 2.406 -3.102 1.00 35.50 H new ATOM 0 HA PHE A 120 8.790 4.642 -1.694 1.00 73.05 H new ATOM 0 HB2 PHE A 120 8.439 1.660 -1.196 1.00 44.40 H new ATOM 0 HB3 PHE A 120 7.621 2.869 -0.227 1.00 44.40 H new ATOM 0 HD1 PHE A 120 7.082 4.810 -2.675 1.00 42.34 H new ATOM 0 HD2 PHE A 120 6.407 0.638 -2.035 1.00 45.02 H new ATOM 0 HE1 PHE A 120 5.211 4.858 -4.264 1.00 55.10 H new ATOM 0 HE2 PHE A 120 4.532 0.704 -3.604 1.00 70.33 H new ATOM 0 HZ PHE A 120 3.922 2.809 -4.718 1.00 22.33 H new ATOM 2052 N MET A 121 11.207 3.090 -0.163 1.00 33.34 N ATOM 2053 CA MET A 121 12.209 3.195 0.907 1.00 1.35 C ATOM 2054 C MET A 121 12.901 4.581 0.864 1.00 72.52 C ATOM 2055 O MET A 121 12.999 5.270 1.885 1.00 2.24 O ATOM 2056 CB MET A 121 13.272 2.072 0.765 1.00 31.15 C ATOM 2057 CG MET A 121 12.701 0.660 0.587 1.00 51.51 C ATOM 2058 SD MET A 121 11.591 0.173 1.919 1.00 63.22 S ATOM 2059 CE MET A 121 11.041 -1.424 1.328 1.00 32.23 C ATOM 0 H MET A 121 11.459 2.423 -0.892 1.00 33.34 H new ATOM 0 HA MET A 121 11.701 3.082 1.865 1.00 1.35 H new ATOM 0 HB2 MET A 121 13.909 2.301 -0.090 1.00 31.15 H new ATOM 0 HB3 MET A 121 13.909 2.081 1.649 1.00 31.15 H new ATOM 0 HG2 MET A 121 12.166 0.608 -0.361 1.00 51.51 H new ATOM 0 HG3 MET A 121 13.523 -0.053 0.528 1.00 51.51 H new ATOM 0 HE1 MET A 121 10.714 -2.031 2.172 1.00 32.23 H new ATOM 0 HE2 MET A 121 10.211 -1.289 0.635 1.00 32.23 H new ATOM 0 HE3 MET A 121 11.863 -1.926 0.817 1.00 32.23 H new ATOM 2069 N GLN A 122 13.372 4.981 -0.342 1.00 44.45 N ATOM 2070 CA GLN A 122 14.121 6.246 -0.541 1.00 25.00 C ATOM 2071 C GLN A 122 13.171 7.471 -0.554 1.00 45.13 C ATOM 2072 O GLN A 122 13.602 8.595 -0.277 1.00 63.52 O ATOM 2073 CB GLN A 122 14.975 6.194 -1.846 1.00 15.42 C ATOM 2074 CG GLN A 122 14.183 6.318 -3.166 1.00 42.14 C ATOM 2075 CD GLN A 122 15.054 6.209 -4.418 1.00 14.24 C ATOM 2076 OE1 GLN A 122 15.255 5.124 -4.957 1.00 75.21 O ATOM 2077 NE2 GLN A 122 15.584 7.333 -4.885 1.00 24.11 N ATOM 0 H GLN A 122 13.245 4.441 -1.198 1.00 44.45 H new ATOM 0 HA GLN A 122 14.800 6.360 0.304 1.00 25.00 H new ATOM 0 HB2 GLN A 122 15.712 6.996 -1.809 1.00 15.42 H new ATOM 0 HB3 GLN A 122 15.527 5.254 -1.861 1.00 15.42 H new ATOM 0 HG2 GLN A 122 13.420 5.540 -3.196 1.00 42.14 H new ATOM 0 HG3 GLN A 122 13.662 7.276 -3.179 1.00 42.14 H new ATOM 0 HE21 GLN A 122 15.398 8.219 -4.414 1.00 24.11 H new ATOM 0 HE22 GLN A 122 16.177 7.311 -5.714 1.00 24.11 H new ATOM 2086 N LYS A 123 11.877 7.229 -0.874 1.00 24.30 N ATOM 2087 CA LYS A 123 10.804 8.243 -0.785 1.00 44.14 C ATOM 2088 C LYS A 123 10.521 8.535 0.698 1.00 44.02 C ATOM 2089 O LYS A 123 10.359 9.683 1.096 1.00 1.23 O ATOM 2090 CB LYS A 123 9.491 7.762 -1.500 1.00 1.23 C ATOM 2091 CG LYS A 123 9.354 8.099 -3.008 1.00 55.12 C ATOM 2092 CD LYS A 123 10.399 7.402 -3.904 1.00 54.00 C ATOM 2093 CE LYS A 123 10.132 7.581 -5.409 1.00 0.42 C ATOM 2094 NZ LYS A 123 10.236 9.002 -5.834 1.00 13.34 N ATOM 0 H LYS A 123 11.549 6.321 -1.202 1.00 24.30 H new ATOM 0 HA LYS A 123 11.137 9.149 -1.292 1.00 44.14 H new ATOM 0 HB2 LYS A 123 9.418 6.681 -1.385 1.00 1.23 H new ATOM 0 HB3 LYS A 123 8.640 8.196 -0.976 1.00 1.23 H new ATOM 0 HG2 LYS A 123 8.356 7.816 -3.344 1.00 55.12 H new ATOM 0 HG3 LYS A 123 9.441 9.178 -3.138 1.00 55.12 H new ATOM 0 HD2 LYS A 123 11.388 7.795 -3.669 1.00 54.00 H new ATOM 0 HD3 LYS A 123 10.415 6.338 -3.670 1.00 54.00 H new ATOM 0 HE2 LYS A 123 10.844 6.981 -5.976 1.00 0.42 H new ATOM 0 HE3 LYS A 123 9.137 7.205 -5.647 1.00 0.42 H new ATOM 0 HZ1 LYS A 123 10.048 9.074 -6.854 1.00 13.34 H new ATOM 0 HZ2 LYS A 123 9.539 9.572 -5.313 1.00 13.34 H new ATOM 0 HZ3 LYS A 123 11.193 9.356 -5.632 1.00 13.34 H new ATOM 2108 N ALA A 124 10.475 7.451 1.503 1.00 23.22 N ATOM 2109 CA ALA A 124 10.362 7.535 2.974 1.00 24.31 C ATOM 2110 C ALA A 124 11.633 8.141 3.611 1.00 35.03 C ATOM 2111 O ALA A 124 11.626 8.497 4.790 1.00 31.21 O ATOM 2112 CB ALA A 124 10.061 6.142 3.554 1.00 21.03 C ATOM 0 H ALA A 124 10.515 6.495 1.151 1.00 23.22 H new ATOM 0 HA ALA A 124 9.536 8.204 3.216 1.00 24.31 H new ATOM 0 HB1 ALA A 124 9.979 6.210 4.639 1.00 21.03 H new ATOM 0 HB2 ALA A 124 9.123 5.771 3.141 1.00 21.03 H new ATOM 0 HB3 ALA A 124 10.868 5.457 3.293 1.00 21.03 H new ATOM 2118 N GLY A 125 12.718 8.227 2.815 1.00 52.43 N ATOM 2119 CA GLY A 125 13.941 8.913 3.219 1.00 21.44 C ATOM 2120 C GLY A 125 13.740 10.405 3.494 1.00 23.45 C ATOM 2121 O GLY A 125 14.443 10.981 4.328 1.00 13.53 O ATOM 0 H GLY A 125 12.762 7.822 1.880 1.00 52.43 H new ATOM 0 HA2 GLY A 125 14.337 8.436 4.116 1.00 21.44 H new ATOM 0 HA3 GLY A 125 14.691 8.793 2.437 1.00 21.44 H new ATOM 2125 N SER A 126 12.757 11.026 2.807 1.00 33.21 N ATOM 2126 CA SER A 126 12.426 12.453 3.002 1.00 55.31 C ATOM 2127 C SER A 126 11.686 12.649 4.340 1.00 61.35 C ATOM 2128 O SER A 126 11.803 13.704 4.968 1.00 64.05 O ATOM 2129 CB SER A 126 11.573 12.977 1.824 1.00 1.51 C ATOM 2130 OG SER A 126 10.317 12.323 1.756 1.00 41.31 O ATOM 0 H SER A 126 12.177 10.559 2.110 1.00 33.21 H new ATOM 0 HA SER A 126 13.353 13.026 3.032 1.00 55.31 H new ATOM 0 HB2 SER A 126 11.419 14.050 1.935 1.00 1.51 H new ATOM 0 HB3 SER A 126 12.113 12.827 0.889 1.00 1.51 H new ATOM 0 HG SER A 126 10.450 11.384 1.511 1.00 41.31 H new ATOM 2136 N LEU A 127 10.945 11.593 4.759 1.00 35.14 N ATOM 2137 CA LEU A 127 10.217 11.550 6.046 1.00 73.23 C ATOM 2138 C LEU A 127 11.221 11.438 7.206 1.00 60.40 C ATOM 2139 O LEU A 127 11.009 11.987 8.293 1.00 50.02 O ATOM 2140 CB LEU A 127 9.244 10.338 6.076 1.00 13.41 C ATOM 2141 CG LEU A 127 8.181 10.282 4.940 1.00 11.34 C ATOM 2142 CD1 LEU A 127 7.391 8.958 4.990 1.00 75.33 C ATOM 2143 CD2 LEU A 127 7.239 11.505 5.004 1.00 32.54 C ATOM 0 H LEU A 127 10.837 10.742 4.207 1.00 35.14 H new ATOM 0 HA LEU A 127 9.639 12.468 6.154 1.00 73.23 H new ATOM 0 HB2 LEU A 127 9.835 9.423 6.038 1.00 13.41 H new ATOM 0 HB3 LEU A 127 8.723 10.341 7.033 1.00 13.41 H new ATOM 0 HG LEU A 127 8.703 10.319 3.984 1.00 11.34 H new ATOM 0 HD11 LEU A 127 6.655 8.943 4.186 1.00 75.33 H new ATOM 0 HD12 LEU A 127 8.077 8.120 4.869 1.00 75.33 H new ATOM 0 HD13 LEU A 127 6.882 8.874 5.950 1.00 75.33 H new ATOM 0 HD21 LEU A 127 6.506 11.442 4.200 1.00 32.54 H new ATOM 0 HD22 LEU A 127 6.724 11.518 5.965 1.00 32.54 H new ATOM 0 HD23 LEU A 127 7.822 12.419 4.893 1.00 32.54 H new