USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 854 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 85 LYS NZ :NH3+ -106:sc= 0.202 (180deg=0.59) USER MOD Set 1.2: A 100 THR OG1 : rot 8:sc= -0.0381 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.249 K(o=-0.25,f=-0.88) USER MOD Single : A 10 TYR OH : rot 180:sc= -0.67 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.0932 X(o=-0.093,f=-0.4) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0266) USER MOD Single : A 40 SER OG : rot 180:sc= -0.157 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 48 CYS SG : rot 56:sc= 0.16 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= 0.477 K(o=0.48,f=-2.6!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -127:sc= -0.523 (180deg=-2.62!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.444 X(o=-0.44,f=0) USER MOD Single : A 92 THR OG1 : rot -22:sc= 0.384 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 52:sc= 0.123 USER MOD Single : A 112 LYS NZ :NH3+ 167:sc= -0.0377 (180deg=-0.293) USER MOD Single : A 117 SER OG : rot 75:sc= 0.716 USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 -1.304 19.862 -3.788 1.00 23.22 N ATOM 43 CA LYS A 3 -1.917 18.678 -3.117 1.00 43.20 C ATOM 44 C LYS A 3 -1.812 18.806 -1.571 1.00 60.33 C ATOM 45 O LYS A 3 -1.673 19.913 -1.034 1.00 74.24 O ATOM 46 CB LYS A 3 -1.270 17.328 -3.606 1.00 63.44 C ATOM 47 CG LYS A 3 -0.903 17.250 -5.107 1.00 62.43 C ATOM 48 CD LYS A 3 -2.078 17.545 -6.064 1.00 24.11 C ATOM 49 CE LYS A 3 -1.643 17.623 -7.542 1.00 60.44 C ATOM 50 NZ LYS A 3 -2.764 18.008 -8.437 1.00 31.11 N ATOM 0 HA LYS A 3 -2.971 18.656 -3.395 1.00 43.20 H new ATOM 0 HB2 LYS A 3 -0.366 17.150 -3.023 1.00 63.44 H new ATOM 0 HB3 LYS A 3 -1.960 16.516 -3.380 1.00 63.44 H new ATOM 0 HG2 LYS A 3 -0.098 17.957 -5.310 1.00 62.43 H new ATOM 0 HG3 LYS A 3 -0.515 16.255 -5.323 1.00 62.43 H new ATOM 0 HD2 LYS A 3 -2.834 16.768 -5.954 1.00 24.11 H new ATOM 0 HD3 LYS A 3 -2.545 18.487 -5.778 1.00 24.11 H new ATOM 0 HE2 LYS A 3 -0.834 18.347 -7.643 1.00 60.44 H new ATOM 0 HE3 LYS A 3 -1.247 16.657 -7.854 1.00 60.44 H new ATOM 0 HZ1 LYS A 3 -2.426 18.048 -9.420 1.00 31.11 H new ATOM 0 HZ2 LYS A 3 -3.526 17.304 -8.361 1.00 31.11 H new ATOM 0 HZ3 LYS A 3 -3.126 18.942 -8.157 1.00 31.11 H new ATOM 64 N GLU A 4 -1.923 17.678 -0.860 1.00 43.53 N ATOM 65 CA GLU A 4 -1.499 17.584 0.544 1.00 32.24 C ATOM 66 C GLU A 4 -1.027 16.150 0.834 1.00 63.33 C ATOM 67 O GLU A 4 -1.713 15.185 0.490 1.00 42.10 O ATOM 68 CB GLU A 4 -2.629 17.991 1.529 1.00 61.44 C ATOM 69 CG GLU A 4 -2.156 18.056 2.997 1.00 52.51 C ATOM 70 CD GLU A 4 -3.256 18.449 4.003 1.00 64.44 C ATOM 71 OE1 GLU A 4 -3.713 19.613 3.970 1.00 13.24 O ATOM 72 OE2 GLU A 4 -3.637 17.613 4.851 1.00 52.12 O ATOM 0 H GLU A 4 -2.306 16.811 -1.237 1.00 43.53 H new ATOM 0 HA GLU A 4 -0.679 18.286 0.697 1.00 32.24 H new ATOM 0 HB2 GLU A 4 -3.025 18.964 1.237 1.00 61.44 H new ATOM 0 HB3 GLU A 4 -3.448 17.277 1.448 1.00 61.44 H new ATOM 0 HG2 GLU A 4 -1.753 17.084 3.280 1.00 52.51 H new ATOM 0 HG3 GLU A 4 -1.339 18.774 3.071 1.00 52.51 H new ATOM 79 N LYS A 5 0.162 16.013 1.435 1.00 14.02 N ATOM 80 CA LYS A 5 0.664 14.712 1.901 1.00 2.11 C ATOM 81 C LYS A 5 -0.224 14.213 3.071 1.00 4.21 C ATOM 82 O LYS A 5 -0.466 14.941 4.042 1.00 23.32 O ATOM 83 CB LYS A 5 2.164 14.843 2.324 1.00 3.22 C ATOM 84 CG LYS A 5 2.970 13.517 2.436 1.00 21.23 C ATOM 85 CD LYS A 5 2.597 12.616 3.642 1.00 13.33 C ATOM 86 CE LYS A 5 2.841 13.275 5.009 1.00 63.43 C ATOM 87 NZ LYS A 5 4.287 13.459 5.289 1.00 65.12 N ATOM 0 H LYS A 5 0.798 16.791 1.611 1.00 14.02 H new ATOM 0 HA LYS A 5 0.613 13.977 1.097 1.00 2.11 H new ATOM 0 HB2 LYS A 5 2.667 15.489 1.604 1.00 3.22 H new ATOM 0 HB3 LYS A 5 2.204 15.349 3.288 1.00 3.22 H new ATOM 0 HG2 LYS A 5 2.828 12.946 1.519 1.00 21.23 H new ATOM 0 HG3 LYS A 5 4.031 13.760 2.499 1.00 21.23 H new ATOM 0 HD2 LYS A 5 1.545 12.339 3.565 1.00 13.33 H new ATOM 0 HD3 LYS A 5 3.174 11.693 3.586 1.00 13.33 H new ATOM 0 HE2 LYS A 5 2.340 14.243 5.039 1.00 63.43 H new ATOM 0 HE3 LYS A 5 2.396 12.661 5.792 1.00 63.43 H new ATOM 0 HZ1 LYS A 5 4.406 13.906 6.220 1.00 65.12 H new ATOM 0 HZ2 LYS A 5 4.762 12.534 5.286 1.00 65.12 H new ATOM 0 HZ3 LYS A 5 4.708 14.066 4.557 1.00 65.12 H new ATOM 101 N ILE A 6 -0.692 12.962 2.963 1.00 74.21 N ATOM 102 CA ILE A 6 -1.563 12.320 3.968 1.00 74.50 C ATOM 103 C ILE A 6 -0.939 10.984 4.440 1.00 34.14 C ATOM 104 O ILE A 6 -0.035 10.430 3.796 1.00 32.51 O ATOM 105 CB ILE A 6 -3.027 12.086 3.415 1.00 11.31 C ATOM 106 CG1 ILE A 6 -3.026 11.043 2.249 1.00 55.13 C ATOM 107 CG2 ILE A 6 -3.685 13.431 2.990 1.00 33.32 C ATOM 108 CD1 ILE A 6 -4.346 10.877 1.520 1.00 31.14 C ATOM 0 H ILE A 6 -0.477 12.358 2.170 1.00 74.21 H new ATOM 0 HA ILE A 6 -1.642 12.996 4.819 1.00 74.50 H new ATOM 0 HB ILE A 6 -3.633 11.670 4.220 1.00 11.31 H new ATOM 0 HG12 ILE A 6 -2.265 11.334 1.525 1.00 55.13 H new ATOM 0 HG13 ILE A 6 -2.729 10.075 2.651 1.00 55.13 H new ATOM 0 HG21 ILE A 6 -4.690 13.241 2.614 1.00 33.32 H new ATOM 0 HG22 ILE A 6 -3.739 14.097 3.851 1.00 33.32 H new ATOM 0 HG23 ILE A 6 -3.087 13.897 2.207 1.00 33.32 H new ATOM 0 HD11 ILE A 6 -4.235 10.132 0.732 1.00 31.14 H new ATOM 0 HD12 ILE A 6 -5.112 10.550 2.224 1.00 31.14 H new ATOM 0 HD13 ILE A 6 -4.641 11.830 1.080 1.00 31.14 H new ATOM 120 N HIS A 7 -1.445 10.476 5.569 1.00 4.20 N ATOM 121 CA HIS A 7 -0.945 9.247 6.205 1.00 11.32 C ATOM 122 C HIS A 7 -2.147 8.424 6.732 1.00 73.45 C ATOM 123 O HIS A 7 -2.814 8.818 7.698 1.00 45.02 O ATOM 124 CB HIS A 7 0.092 9.581 7.325 1.00 13.14 C ATOM 125 CG HIS A 7 -0.418 10.456 8.441 1.00 54.31 C ATOM 126 ND1 HIS A 7 -1.029 9.951 9.572 1.00 24.14 N ATOM 127 CD2 HIS A 7 -0.432 11.804 8.590 1.00 13.12 C ATOM 128 CE1 HIS A 7 -1.395 10.941 10.356 1.00 12.43 C ATOM 129 NE2 HIS A 7 -1.045 12.073 9.787 1.00 15.43 N ATOM 0 H HIS A 7 -2.219 10.908 6.073 1.00 4.20 H new ATOM 0 HA HIS A 7 -0.415 8.639 5.472 1.00 11.32 H new ATOM 0 HB2 HIS A 7 0.450 8.646 7.755 1.00 13.14 H new ATOM 0 HB3 HIS A 7 0.951 10.071 6.866 1.00 13.14 H new ATOM 0 HD2 HIS A 7 -0.035 12.530 7.896 1.00 13.12 H new ATOM 0 HE1 HIS A 7 -1.898 10.841 11.306 1.00 12.43 H new ATOM 0 HE2 HIS A 7 -1.204 13.003 10.174 1.00 15.43 H new ATOM 138 N LEU A 8 -2.458 7.307 6.060 1.00 11.14 N ATOM 139 CA LEU A 8 -3.587 6.436 6.441 1.00 33.42 C ATOM 140 C LEU A 8 -3.038 5.244 7.250 1.00 42.11 C ATOM 141 O LEU A 8 -2.343 4.384 6.710 1.00 73.41 O ATOM 142 CB LEU A 8 -4.362 5.949 5.169 1.00 50.15 C ATOM 143 CG LEU A 8 -5.444 6.930 4.588 1.00 35.33 C ATOM 144 CD1 LEU A 8 -4.870 8.321 4.272 1.00 74.24 C ATOM 145 CD2 LEU A 8 -6.135 6.324 3.345 1.00 31.33 C ATOM 0 H LEU A 8 -1.941 6.981 5.243 1.00 11.14 H new ATOM 0 HA LEU A 8 -4.294 6.993 7.056 1.00 33.42 H new ATOM 0 HB2 LEU A 8 -3.634 5.741 4.385 1.00 50.15 H new ATOM 0 HB3 LEU A 8 -4.851 5.005 5.408 1.00 50.15 H new ATOM 0 HG LEU A 8 -6.193 7.066 5.368 1.00 35.33 H new ATOM 0 HD11 LEU A 8 -5.659 8.958 3.874 1.00 74.24 H new ATOM 0 HD12 LEU A 8 -4.470 8.765 5.184 1.00 74.24 H new ATOM 0 HD13 LEU A 8 -4.073 8.227 3.534 1.00 74.24 H new ATOM 0 HD21 LEU A 8 -6.878 7.024 2.964 1.00 31.33 H new ATOM 0 HD22 LEU A 8 -5.390 6.130 2.573 1.00 31.33 H new ATOM 0 HD23 LEU A 8 -6.624 5.390 3.620 1.00 31.33 H new ATOM 157 N GLU A 9 -3.393 5.190 8.542 1.00 41.22 N ATOM 158 CA GLU A 9 -2.810 4.220 9.502 1.00 72.11 C ATOM 159 C GLU A 9 -3.907 3.359 10.165 1.00 35.24 C ATOM 160 O GLU A 9 -4.868 3.878 10.719 1.00 62.43 O ATOM 161 CB GLU A 9 -1.983 4.959 10.586 1.00 1.30 C ATOM 162 CG GLU A 9 -1.207 4.020 11.535 1.00 42.11 C ATOM 163 CD GLU A 9 -0.480 4.769 12.662 1.00 54.31 C ATOM 164 OE1 GLU A 9 0.686 5.177 12.470 1.00 1.22 O ATOM 165 OE2 GLU A 9 -1.081 4.968 13.744 1.00 11.21 O ATOM 0 H GLU A 9 -4.088 5.811 8.957 1.00 41.22 H new ATOM 0 HA GLU A 9 -2.149 3.556 8.944 1.00 72.11 H new ATOM 0 HB2 GLU A 9 -1.276 5.628 10.095 1.00 1.30 H new ATOM 0 HB3 GLU A 9 -2.654 5.583 11.177 1.00 1.30 H new ATOM 0 HG2 GLU A 9 -1.900 3.302 11.973 1.00 42.11 H new ATOM 0 HG3 GLU A 9 -0.479 3.450 10.957 1.00 42.11 H new ATOM 172 N TYR A 10 -3.710 2.038 10.144 1.00 25.40 N ATOM 173 CA TYR A 10 -4.723 1.048 10.539 1.00 74.22 C ATOM 174 C TYR A 10 -4.149 0.085 11.597 1.00 63.24 C ATOM 175 O TYR A 10 -2.950 -0.230 11.576 1.00 45.12 O ATOM 176 CB TYR A 10 -5.165 0.237 9.295 1.00 41.24 C ATOM 177 CG TYR A 10 -5.486 1.074 8.044 1.00 43.24 C ATOM 178 CD1 TYR A 10 -6.554 1.978 8.033 1.00 31.01 C ATOM 179 CD2 TYR A 10 -4.733 0.946 6.869 1.00 44.34 C ATOM 180 CE1 TYR A 10 -6.848 2.718 6.905 1.00 63.32 C ATOM 181 CE2 TYR A 10 -5.030 1.690 5.740 1.00 13.22 C ATOM 182 CZ TYR A 10 -6.091 2.569 5.763 1.00 42.32 C ATOM 183 OH TYR A 10 -6.403 3.301 4.638 1.00 71.12 O ATOM 0 H TYR A 10 -2.829 1.617 9.848 1.00 25.40 H new ATOM 0 HA TYR A 10 -5.579 1.572 10.964 1.00 74.22 H new ATOM 0 HB2 TYR A 10 -4.376 -0.472 9.045 1.00 41.24 H new ATOM 0 HB3 TYR A 10 -6.047 -0.347 9.557 1.00 41.24 H new ATOM 0 HD1 TYR A 10 -7.158 2.099 8.920 1.00 31.01 H new ATOM 0 HD2 TYR A 10 -3.905 0.253 6.844 1.00 44.34 H new ATOM 0 HE1 TYR A 10 -7.673 3.415 6.918 1.00 63.32 H new ATOM 0 HE2 TYR A 10 -4.433 1.582 4.846 1.00 13.22 H new ATOM 0 HH TYR A 10 -5.773 3.081 3.920 1.00 71.12 H new ATOM 193 N LEU A 11 -5.011 -0.381 12.511 1.00 60.22 N ATOM 194 CA LEU A 11 -4.659 -1.460 13.454 1.00 55.12 C ATOM 195 C LEU A 11 -4.943 -2.841 12.803 1.00 64.14 C ATOM 196 O LEU A 11 -6.092 -3.275 12.676 1.00 22.14 O ATOM 197 CB LEU A 11 -5.372 -1.256 14.846 1.00 73.31 C ATOM 198 CG LEU A 11 -6.820 -0.632 14.854 1.00 73.21 C ATOM 199 CD1 LEU A 11 -7.912 -1.620 14.386 1.00 64.14 C ATOM 200 CD2 LEU A 11 -7.166 -0.046 16.244 1.00 14.11 C ATOM 0 H LEU A 11 -5.962 -0.028 12.620 1.00 60.22 H new ATOM 0 HA LEU A 11 -3.591 -1.425 13.669 1.00 55.12 H new ATOM 0 HB2 LEU A 11 -5.424 -2.227 15.339 1.00 73.31 H new ATOM 0 HB3 LEU A 11 -4.732 -0.621 15.459 1.00 73.31 H new ATOM 0 HG LEU A 11 -6.805 0.179 14.125 1.00 73.21 H new ATOM 0 HD11 LEU A 11 -8.884 -1.128 14.415 1.00 64.14 H new ATOM 0 HD12 LEU A 11 -7.699 -1.942 13.367 1.00 64.14 H new ATOM 0 HD13 LEU A 11 -7.924 -2.488 15.046 1.00 64.14 H new ATOM 0 HD21 LEU A 11 -8.170 0.378 16.221 1.00 14.11 H new ATOM 0 HD22 LEU A 11 -7.123 -0.837 16.993 1.00 14.11 H new ATOM 0 HD23 LEU A 11 -6.449 0.734 16.499 1.00 14.11 H new ATOM 212 N LEU A 12 -3.878 -3.511 12.345 1.00 70.11 N ATOM 213 CA LEU A 12 -3.990 -4.825 11.685 1.00 73.41 C ATOM 214 C LEU A 12 -4.219 -5.916 12.762 1.00 75.40 C ATOM 215 O LEU A 12 -3.489 -5.967 13.763 1.00 71.32 O ATOM 216 CB LEU A 12 -2.709 -5.114 10.831 1.00 50.11 C ATOM 217 CG LEU A 12 -2.871 -5.976 9.529 1.00 21.10 C ATOM 218 CD1 LEU A 12 -3.443 -7.377 9.806 1.00 50.24 C ATOM 219 CD2 LEU A 12 -3.703 -5.238 8.460 1.00 33.04 C ATOM 0 H LEU A 12 -2.921 -3.165 12.419 1.00 70.11 H new ATOM 0 HA LEU A 12 -4.841 -4.828 11.004 1.00 73.41 H new ATOM 0 HB2 LEU A 12 -2.275 -4.156 10.545 1.00 50.11 H new ATOM 0 HB3 LEU A 12 -1.984 -5.613 11.474 1.00 50.11 H new ATOM 0 HG LEU A 12 -1.865 -6.121 9.135 1.00 21.10 H new ATOM 0 HD11 LEU A 12 -3.532 -7.926 8.868 1.00 50.24 H new ATOM 0 HD12 LEU A 12 -2.776 -7.916 10.480 1.00 50.24 H new ATOM 0 HD13 LEU A 12 -4.426 -7.284 10.267 1.00 50.24 H new ATOM 0 HD21 LEU A 12 -3.794 -5.865 7.573 1.00 33.04 H new ATOM 0 HD22 LEU A 12 -4.696 -5.023 8.856 1.00 33.04 H new ATOM 0 HD23 LEU A 12 -3.208 -4.304 8.195 1.00 33.04 H new ATOM 231 N ASN A 13 -5.252 -6.760 12.544 1.00 51.50 N ATOM 232 CA ASN A 13 -5.573 -7.910 13.426 1.00 1.52 C ATOM 233 C ASN A 13 -4.366 -8.893 13.545 1.00 22.40 C ATOM 234 O ASN A 13 -3.524 -8.974 12.640 1.00 65.54 O ATOM 235 CB ASN A 13 -6.826 -8.656 12.882 1.00 32.30 C ATOM 236 CG ASN A 13 -7.334 -9.761 13.820 1.00 62.10 C ATOM 237 OD1 ASN A 13 -6.883 -10.901 13.764 1.00 11.54 O ATOM 238 ND2 ASN A 13 -8.286 -9.437 14.672 1.00 75.14 N ATOM 0 H ASN A 13 -5.888 -6.665 11.752 1.00 51.50 H new ATOM 0 HA ASN A 13 -5.785 -7.526 14.424 1.00 1.52 H new ATOM 0 HB2 ASN A 13 -7.626 -7.934 12.717 1.00 32.30 H new ATOM 0 HB3 ASN A 13 -6.586 -9.094 11.913 1.00 32.30 H new ATOM 0 HD21 ASN A 13 -8.665 -10.141 15.305 1.00 75.14 H new ATOM 0 HD22 ASN A 13 -8.643 -8.482 14.698 1.00 75.14 H new ATOM 280 N LYS A 17 1.895 -11.526 10.034 1.00 34.12 N ATOM 281 CA LYS A 17 2.545 -11.598 8.699 1.00 3.52 C ATOM 282 C LYS A 17 2.793 -10.200 8.090 1.00 62.32 C ATOM 283 O LYS A 17 1.888 -9.368 8.033 1.00 73.21 O ATOM 284 CB LYS A 17 1.696 -12.446 7.715 1.00 41.41 C ATOM 285 CG LYS A 17 1.567 -13.931 8.115 1.00 42.33 C ATOM 286 CD LYS A 17 0.948 -14.799 6.998 1.00 1.41 C ATOM 287 CE LYS A 17 0.940 -16.304 7.348 1.00 30.54 C ATOM 288 NZ LYS A 17 0.363 -17.125 6.255 1.00 50.55 N ATOM 0 HA LYS A 17 3.513 -12.076 8.852 1.00 3.52 H new ATOM 0 HB2 LYS A 17 0.699 -12.012 7.644 1.00 41.41 H new ATOM 0 HB3 LYS A 17 2.141 -12.385 6.722 1.00 41.41 H new ATOM 0 HG2 LYS A 17 2.553 -14.321 8.368 1.00 42.33 H new ATOM 0 HG3 LYS A 17 0.953 -14.009 9.012 1.00 42.33 H new ATOM 0 HD2 LYS A 17 -0.074 -14.468 6.810 1.00 1.41 H new ATOM 0 HD3 LYS A 17 1.507 -14.648 6.074 1.00 1.41 H new ATOM 0 HE2 LYS A 17 1.959 -16.635 7.551 1.00 30.54 H new ATOM 0 HE3 LYS A 17 0.366 -16.461 8.261 1.00 30.54 H new ATOM 0 HZ1 LYS A 17 0.376 -18.128 6.530 1.00 50.55 H new ATOM 0 HZ2 LYS A 17 -0.618 -16.828 6.078 1.00 50.55 H new ATOM 0 HZ3 LYS A 17 0.925 -16.996 5.390 1.00 50.55 H new ATOM 302 N ASN A 18 4.046 -9.952 7.666 1.00 52.41 N ATOM 303 CA ASN A 18 4.402 -8.818 6.775 1.00 23.14 C ATOM 304 C ASN A 18 3.904 -9.061 5.321 1.00 44.44 C ATOM 305 O ASN A 18 3.640 -8.111 4.577 1.00 42.24 O ATOM 306 CB ASN A 18 5.936 -8.565 6.805 1.00 51.55 C ATOM 307 CG ASN A 18 6.764 -9.716 6.224 1.00 51.44 C ATOM 308 OD1 ASN A 18 7.077 -9.737 5.039 1.00 13.34 O ATOM 309 ND2 ASN A 18 7.123 -10.684 7.046 1.00 24.32 N ATOM 0 H ASN A 18 4.845 -10.529 7.928 1.00 52.41 H new ATOM 0 HA ASN A 18 3.899 -7.925 7.147 1.00 23.14 H new ATOM 0 HB2 ASN A 18 6.156 -7.654 6.248 1.00 51.55 H new ATOM 0 HB3 ASN A 18 6.246 -8.391 7.835 1.00 51.55 H new ATOM 0 HD21 ASN A 18 7.672 -11.470 6.699 1.00 24.32 H new ATOM 0 HD22 ASN A 18 6.851 -10.646 8.028 1.00 24.32 H new ATOM 316 N ILE A 19 3.781 -10.363 4.956 1.00 34.11 N ATOM 317 CA ILE A 19 3.488 -10.865 3.577 1.00 42.14 C ATOM 318 C ILE A 19 2.241 -10.176 2.940 1.00 31.35 C ATOM 319 O ILE A 19 2.175 -10.018 1.715 1.00 45.30 O ATOM 320 CB ILE A 19 3.308 -12.454 3.571 1.00 42.01 C ATOM 321 CG1 ILE A 19 4.631 -13.217 3.980 1.00 33.23 C ATOM 322 CG2 ILE A 19 2.809 -12.983 2.199 1.00 74.53 C ATOM 323 CD1 ILE A 19 4.961 -13.225 5.460 1.00 42.40 C ATOM 0 H ILE A 19 3.885 -11.121 5.631 1.00 34.11 H new ATOM 0 HA ILE A 19 4.350 -10.604 2.963 1.00 42.14 H new ATOM 0 HB ILE A 19 2.547 -12.660 4.324 1.00 42.01 H new ATOM 0 HG12 ILE A 19 4.552 -14.249 3.640 1.00 33.23 H new ATOM 0 HG13 ILE A 19 5.467 -12.768 3.444 1.00 33.23 H new ATOM 0 HG21 ILE A 19 2.702 -14.067 2.244 1.00 74.53 H new ATOM 0 HG22 ILE A 19 1.845 -12.533 1.964 1.00 74.53 H new ATOM 0 HG23 ILE A 19 3.530 -12.721 1.424 1.00 74.53 H new ATOM 0 HD11 ILE A 19 5.887 -13.776 5.623 1.00 42.40 H new ATOM 0 HD12 ILE A 19 5.081 -12.200 5.812 1.00 42.40 H new ATOM 0 HD13 ILE A 19 4.152 -13.705 6.011 1.00 42.40 H new ATOM 335 N LEU A 20 1.307 -9.728 3.807 1.00 54.54 N ATOM 336 CA LEU A 20 0.048 -9.026 3.428 1.00 30.50 C ATOM 337 C LEU A 20 0.278 -7.946 2.329 1.00 44.42 C ATOM 338 O LEU A 20 -0.261 -8.038 1.221 1.00 51.21 O ATOM 339 CB LEU A 20 -0.540 -8.346 4.697 1.00 51.31 C ATOM 340 CG LEU A 20 -0.780 -9.268 5.933 1.00 55.54 C ATOM 341 CD1 LEU A 20 -1.154 -8.426 7.168 1.00 50.33 C ATOM 342 CD2 LEU A 20 -1.843 -10.358 5.648 1.00 53.32 C ATOM 0 H LEU A 20 1.404 -9.844 4.816 1.00 54.54 H new ATOM 0 HA LEU A 20 -0.641 -9.765 3.019 1.00 30.50 H new ATOM 0 HB2 LEU A 20 0.133 -7.542 4.996 1.00 51.31 H new ATOM 0 HB3 LEU A 20 -1.489 -7.883 4.427 1.00 51.31 H new ATOM 0 HG LEU A 20 0.153 -9.790 6.143 1.00 55.54 H new ATOM 0 HD11 LEU A 20 -1.318 -9.084 8.021 1.00 50.33 H new ATOM 0 HD12 LEU A 20 -0.344 -7.733 7.395 1.00 50.33 H new ATOM 0 HD13 LEU A 20 -2.065 -7.864 6.963 1.00 50.33 H new ATOM 0 HD21 LEU A 20 -1.977 -10.976 6.536 1.00 53.32 H new ATOM 0 HD22 LEU A 20 -2.790 -9.884 5.389 1.00 53.32 H new ATOM 0 HD23 LEU A 20 -1.511 -10.982 4.818 1.00 53.32 H new ATOM 354 N TRP A 21 1.091 -6.930 2.665 1.00 53.40 N ATOM 355 CA TRP A 21 1.500 -5.859 1.729 1.00 61.53 C ATOM 356 C TRP A 21 2.908 -6.085 1.139 1.00 13.11 C ATOM 357 O TRP A 21 3.246 -5.472 0.134 1.00 61.12 O ATOM 358 CB TRP A 21 1.398 -4.486 2.426 1.00 74.11 C ATOM 359 CG TRP A 21 -0.019 -3.955 2.504 1.00 62.32 C ATOM 360 CD1 TRP A 21 -0.923 -4.126 3.515 1.00 54.45 C ATOM 361 CD2 TRP A 21 -0.685 -3.165 1.504 1.00 34.44 C ATOM 362 NE1 TRP A 21 -2.088 -3.463 3.218 1.00 43.32 N ATOM 363 CE2 TRP A 21 -1.970 -2.873 1.989 1.00 73.33 C ATOM 364 CE3 TRP A 21 -0.305 -2.671 0.249 1.00 45.30 C ATOM 365 CZ2 TRP A 21 -2.882 -2.107 1.266 1.00 41.33 C ATOM 366 CZ3 TRP A 21 -1.210 -1.913 -0.470 1.00 64.20 C ATOM 367 CH2 TRP A 21 -2.486 -1.634 0.041 1.00 22.31 C ATOM 0 H TRP A 21 1.488 -6.825 3.599 1.00 53.40 H new ATOM 0 HA TRP A 21 0.813 -5.883 0.883 1.00 61.53 H new ATOM 0 HB2 TRP A 21 1.804 -4.568 3.434 1.00 74.11 H new ATOM 0 HB3 TRP A 21 2.018 -3.768 1.890 1.00 74.11 H new ATOM 0 HD1 TRP A 21 -0.747 -4.698 4.414 1.00 54.45 H new ATOM 0 HE1 TRP A 21 -2.911 -3.417 3.818 1.00 43.32 H new ATOM 0 HE3 TRP A 21 0.677 -2.879 -0.149 1.00 45.30 H new ATOM 0 HZ2 TRP A 21 -3.866 -1.893 1.656 1.00 41.33 H new ATOM 0 HZ3 TRP A 21 -0.930 -1.530 -1.440 1.00 64.20 H new ATOM 0 HH2 TRP A 21 -3.170 -1.035 -0.542 1.00 22.31 H new ATOM 378 N SER A 22 3.727 -6.960 1.756 1.00 52.00 N ATOM 379 CA SER A 22 5.061 -7.348 1.193 1.00 50.31 C ATOM 380 C SER A 22 4.916 -8.101 -0.162 1.00 62.15 C ATOM 381 O SER A 22 5.864 -8.182 -0.953 1.00 72.01 O ATOM 382 CB SER A 22 5.849 -8.206 2.211 1.00 41.34 C ATOM 383 OG SER A 22 7.131 -8.573 1.726 1.00 10.14 O ATOM 0 H SER A 22 3.501 -7.416 2.640 1.00 52.00 H new ATOM 0 HA SER A 22 5.618 -6.431 1.001 1.00 50.31 H new ATOM 0 HB2 SER A 22 5.960 -7.650 3.142 1.00 41.34 H new ATOM 0 HB3 SER A 22 5.279 -9.106 2.443 1.00 41.34 H new ATOM 0 HG SER A 22 7.594 -9.112 2.401 1.00 10.14 H new ATOM 389 N ALA A 23 3.696 -8.622 -0.417 1.00 63.01 N ATOM 390 CA ALA A 23 3.319 -9.313 -1.675 1.00 1.50 C ATOM 391 C ALA A 23 3.522 -8.431 -2.935 1.00 44.22 C ATOM 392 O ALA A 23 3.836 -8.950 -4.013 1.00 42.23 O ATOM 393 CB ALA A 23 1.852 -9.764 -1.579 1.00 11.13 C ATOM 0 H ALA A 23 2.931 -8.575 0.256 1.00 63.01 H new ATOM 0 HA ALA A 23 3.979 -10.173 -1.789 1.00 1.50 H new ATOM 0 HB1 ALA A 23 1.567 -10.273 -2.500 1.00 11.13 H new ATOM 0 HB2 ALA A 23 1.735 -10.446 -0.737 1.00 11.13 H new ATOM 0 HB3 ALA A 23 1.213 -8.893 -1.433 1.00 11.13 H new ATOM 399 N ILE A 24 3.374 -7.095 -2.776 1.00 14.53 N ATOM 400 CA ILE A 24 3.449 -6.135 -3.910 1.00 42.32 C ATOM 401 C ILE A 24 4.877 -6.023 -4.503 1.00 53.33 C ATOM 402 O ILE A 24 5.041 -5.603 -5.645 1.00 20.13 O ATOM 403 CB ILE A 24 2.896 -4.706 -3.524 1.00 40.01 C ATOM 404 CG1 ILE A 24 3.823 -3.996 -2.485 1.00 15.43 C ATOM 405 CG2 ILE A 24 1.442 -4.816 -3.007 1.00 13.15 C ATOM 406 CD1 ILE A 24 3.257 -2.732 -1.848 1.00 71.13 C ATOM 0 H ILE A 24 3.202 -6.654 -1.873 1.00 14.53 H new ATOM 0 HA ILE A 24 2.802 -6.546 -4.685 1.00 42.32 H new ATOM 0 HB ILE A 24 2.892 -4.087 -4.421 1.00 40.01 H new ATOM 0 HG12 ILE A 24 4.059 -4.706 -1.692 1.00 15.43 H new ATOM 0 HG13 ILE A 24 4.762 -3.743 -2.977 1.00 15.43 H new ATOM 0 HG21 ILE A 24 1.073 -3.824 -2.745 1.00 13.15 H new ATOM 0 HG22 ILE A 24 0.810 -5.244 -3.786 1.00 13.15 H new ATOM 0 HG23 ILE A 24 1.417 -5.457 -2.126 1.00 13.15 H new ATOM 0 HD11 ILE A 24 3.982 -2.323 -1.145 1.00 71.13 H new ATOM 0 HD12 ILE A 24 3.049 -1.995 -2.624 1.00 71.13 H new ATOM 0 HD13 ILE A 24 2.335 -2.973 -1.319 1.00 71.13 H new ATOM 418 N SER A 25 5.893 -6.423 -3.720 1.00 1.22 N ATOM 419 CA SER A 25 7.305 -6.477 -4.179 1.00 63.23 C ATOM 420 C SER A 25 7.503 -7.513 -5.311 1.00 35.45 C ATOM 421 O SER A 25 8.253 -7.274 -6.266 1.00 30.21 O ATOM 422 CB SER A 25 8.230 -6.823 -2.989 1.00 34.13 C ATOM 423 OG SER A 25 9.597 -6.893 -3.379 1.00 30.44 O ATOM 0 H SER A 25 5.767 -6.719 -2.752 1.00 1.22 H new ATOM 0 HA SER A 25 7.562 -5.495 -4.576 1.00 63.23 H new ATOM 0 HB2 SER A 25 8.114 -6.071 -2.209 1.00 34.13 H new ATOM 0 HB3 SER A 25 7.926 -7.778 -2.559 1.00 34.13 H new ATOM 0 HG SER A 25 10.149 -7.112 -2.599 1.00 30.44 H new ATOM 429 N THR A 26 6.824 -8.671 -5.183 1.00 44.21 N ATOM 430 CA THR A 26 6.937 -9.787 -6.152 1.00 64.44 C ATOM 431 C THR A 26 5.758 -9.812 -7.154 1.00 2.23 C ATOM 432 O THR A 26 4.632 -9.491 -6.780 1.00 41.10 O ATOM 433 CB THR A 26 6.992 -11.180 -5.437 1.00 64.32 C ATOM 434 OG1 THR A 26 5.813 -11.387 -4.629 1.00 73.44 O ATOM 435 CG2 THR A 26 8.256 -11.328 -4.573 1.00 65.21 C ATOM 0 H THR A 26 6.185 -8.861 -4.411 1.00 44.21 H new ATOM 0 HA THR A 26 7.869 -9.610 -6.689 1.00 64.44 H new ATOM 0 HB THR A 26 7.027 -11.941 -6.216 1.00 64.32 H new ATOM 0 HG1 THR A 26 5.865 -12.263 -4.192 1.00 73.44 H new ATOM 0 HG21 THR A 26 8.257 -12.307 -4.094 1.00 65.21 H new ATOM 0 HG22 THR A 26 9.140 -11.231 -5.203 1.00 65.21 H new ATOM 0 HG23 THR A 26 8.268 -10.551 -3.809 1.00 65.21 H new ATOM 443 N PRO A 27 6.021 -10.209 -8.449 1.00 34.21 N ATOM 444 CA PRO A 27 4.967 -10.448 -9.477 1.00 52.42 C ATOM 445 C PRO A 27 3.830 -11.393 -8.988 1.00 13.03 C ATOM 446 O PRO A 27 2.664 -10.989 -8.951 1.00 4.55 O ATOM 447 CB PRO A 27 5.764 -11.082 -10.670 1.00 1.10 C ATOM 448 CG PRO A 27 7.112 -11.425 -10.104 1.00 45.25 C ATOM 449 CD PRO A 27 7.370 -10.399 -9.041 1.00 72.41 C ATOM 0 HA PRO A 27 4.443 -9.529 -9.739 1.00 52.42 H new ATOM 0 HB2 PRO A 27 5.260 -11.969 -11.053 1.00 1.10 H new ATOM 0 HB3 PRO A 27 5.852 -10.382 -11.501 1.00 1.10 H new ATOM 0 HG2 PRO A 27 7.119 -12.432 -9.688 1.00 45.25 H new ATOM 0 HG3 PRO A 27 7.882 -11.394 -10.875 1.00 45.25 H new ATOM 0 HD2 PRO A 27 8.092 -10.750 -8.304 1.00 72.41 H new ATOM 0 HD3 PRO A 27 7.765 -9.473 -9.458 1.00 72.41 H new ATOM 457 N THR A 28 4.201 -12.643 -8.612 1.00 4.32 N ATOM 458 CA THR A 28 3.264 -13.676 -8.083 1.00 35.25 C ATOM 459 C THR A 28 2.362 -13.166 -6.923 1.00 65.03 C ATOM 460 O THR A 28 1.142 -13.388 -6.935 1.00 52.04 O ATOM 461 CB THR A 28 4.045 -14.965 -7.623 1.00 65.21 C ATOM 462 OG1 THR A 28 3.151 -15.918 -7.022 1.00 32.44 O ATOM 463 CG2 THR A 28 5.191 -14.650 -6.633 1.00 62.34 C ATOM 0 H THR A 28 5.166 -12.968 -8.667 1.00 4.32 H new ATOM 0 HA THR A 28 2.603 -13.922 -8.914 1.00 35.25 H new ATOM 0 HB THR A 28 4.488 -15.388 -8.525 1.00 65.21 H new ATOM 0 HG1 THR A 28 3.656 -16.711 -6.745 1.00 32.44 H new ATOM 0 HG21 THR A 28 5.693 -15.576 -6.351 1.00 62.34 H new ATOM 0 HG22 THR A 28 5.907 -13.979 -7.107 1.00 62.34 H new ATOM 0 HG23 THR A 28 4.782 -14.174 -5.742 1.00 62.34 H new ATOM 471 N GLY A 29 2.966 -12.468 -5.946 1.00 4.02 N ATOM 472 CA GLY A 29 2.225 -11.941 -4.788 1.00 50.53 C ATOM 473 C GLY A 29 1.293 -10.775 -5.141 1.00 61.43 C ATOM 474 O GLY A 29 0.236 -10.617 -4.539 1.00 31.02 O ATOM 0 H GLY A 29 3.964 -12.256 -5.935 1.00 4.02 H new ATOM 0 HA2 GLY A 29 1.637 -12.745 -4.345 1.00 50.53 H new ATOM 0 HA3 GLY A 29 2.936 -11.612 -4.030 1.00 50.53 H new ATOM 478 N LEU A 30 1.713 -9.964 -6.117 1.00 14.24 N ATOM 479 CA LEU A 30 0.962 -8.776 -6.591 1.00 41.42 C ATOM 480 C LEU A 30 -0.346 -9.178 -7.335 1.00 31.04 C ATOM 481 O LEU A 30 -1.443 -8.733 -6.974 1.00 71.35 O ATOM 482 CB LEU A 30 1.890 -7.909 -7.508 1.00 61.13 C ATOM 483 CG LEU A 30 1.940 -6.382 -7.205 1.00 40.33 C ATOM 484 CD1 LEU A 30 2.988 -5.676 -8.077 1.00 62.24 C ATOM 485 CD2 LEU A 30 0.559 -5.718 -7.328 1.00 3.35 C ATOM 0 H LEU A 30 2.593 -10.108 -6.612 1.00 14.24 H new ATOM 0 HA LEU A 30 0.660 -8.187 -5.725 1.00 41.42 H new ATOM 0 HB2 LEU A 30 2.904 -8.304 -7.437 1.00 61.13 H new ATOM 0 HB3 LEU A 30 1.568 -8.041 -8.541 1.00 61.13 H new ATOM 0 HG LEU A 30 2.246 -6.273 -6.165 1.00 40.33 H new ATOM 0 HD11 LEU A 30 2.999 -4.612 -7.842 1.00 62.24 H new ATOM 0 HD12 LEU A 30 3.972 -6.101 -7.880 1.00 62.24 H new ATOM 0 HD13 LEU A 30 2.738 -5.813 -9.129 1.00 62.24 H new ATOM 0 HD21 LEU A 30 0.646 -4.654 -7.107 1.00 3.35 H new ATOM 0 HD22 LEU A 30 0.181 -5.849 -8.342 1.00 3.35 H new ATOM 0 HD23 LEU A 30 -0.131 -6.180 -6.622 1.00 3.35 H new ATOM 497 N GLU A 31 -0.212 -10.033 -8.368 1.00 31.14 N ATOM 498 CA GLU A 31 -1.357 -10.492 -9.211 1.00 70.53 C ATOM 499 C GLU A 31 -2.334 -11.424 -8.449 1.00 24.40 C ATOM 500 O GLU A 31 -3.410 -11.752 -8.957 1.00 14.14 O ATOM 501 CB GLU A 31 -0.827 -11.198 -10.485 1.00 74.44 C ATOM 502 CG GLU A 31 0.033 -12.453 -10.229 1.00 33.32 C ATOM 503 CD GLU A 31 0.634 -13.037 -11.519 1.00 43.31 C ATOM 504 OE1 GLU A 31 -0.037 -13.848 -12.182 1.00 3.41 O ATOM 505 OE2 GLU A 31 1.773 -12.670 -11.886 1.00 64.30 O ATOM 0 H GLU A 31 0.685 -10.429 -8.649 1.00 31.14 H new ATOM 0 HA GLU A 31 -1.924 -9.603 -9.488 1.00 70.53 H new ATOM 0 HB2 GLU A 31 -1.678 -11.480 -11.106 1.00 74.44 H new ATOM 0 HB3 GLU A 31 -0.237 -10.483 -11.059 1.00 74.44 H new ATOM 0 HG2 GLU A 31 0.839 -12.201 -9.540 1.00 33.32 H new ATOM 0 HG3 GLU A 31 -0.578 -13.213 -9.742 1.00 33.32 H new ATOM 512 N ASP A 32 -1.941 -11.846 -7.239 1.00 1.04 N ATOM 513 CA ASP A 32 -2.785 -12.657 -6.344 1.00 72.13 C ATOM 514 C ASP A 32 -4.062 -11.887 -5.874 1.00 30.15 C ATOM 515 O ASP A 32 -5.098 -12.504 -5.597 1.00 11.50 O ATOM 516 CB ASP A 32 -1.918 -13.111 -5.138 1.00 73.05 C ATOM 517 CG ASP A 32 -2.667 -14.003 -4.135 1.00 1.23 C ATOM 518 OD1 ASP A 32 -3.084 -15.118 -4.518 1.00 11.13 O ATOM 519 OD2 ASP A 32 -2.832 -13.605 -2.962 1.00 4.21 O ATOM 0 H ASP A 32 -1.023 -11.634 -6.849 1.00 1.04 H new ATOM 0 HA ASP A 32 -3.150 -13.528 -6.889 1.00 72.13 H new ATOM 0 HB2 ASP A 32 -1.048 -13.651 -5.511 1.00 73.05 H new ATOM 0 HB3 ASP A 32 -1.546 -12.228 -4.618 1.00 73.05 H new ATOM 524 N TRP A 33 -3.994 -10.535 -5.824 1.00 43.52 N ATOM 525 CA TRP A 33 -5.097 -9.696 -5.273 1.00 2.21 C ATOM 526 C TRP A 33 -5.288 -8.343 -6.009 1.00 64.24 C ATOM 527 O TRP A 33 -6.296 -7.663 -5.782 1.00 2.04 O ATOM 528 CB TRP A 33 -4.878 -9.467 -3.747 1.00 11.44 C ATOM 529 CG TRP A 33 -3.578 -8.782 -3.361 1.00 52.42 C ATOM 530 CD1 TRP A 33 -2.310 -9.174 -3.689 1.00 31.54 C ATOM 531 CD2 TRP A 33 -3.423 -7.623 -2.525 1.00 3.32 C ATOM 532 NE1 TRP A 33 -1.389 -8.325 -3.143 1.00 1.15 N ATOM 533 CE2 TRP A 33 -2.043 -7.371 -2.411 1.00 2.11 C ATOM 534 CE3 TRP A 33 -4.319 -6.776 -1.865 1.00 1.24 C ATOM 535 CZ2 TRP A 33 -1.540 -6.304 -1.674 1.00 63.11 C ATOM 536 CZ3 TRP A 33 -3.817 -5.720 -1.126 1.00 3.03 C ATOM 537 CH2 TRP A 33 -2.436 -5.494 -1.035 1.00 13.23 C ATOM 0 H TRP A 33 -3.192 -9.999 -6.156 1.00 43.52 H new ATOM 0 HA TRP A 33 -6.020 -10.252 -5.438 1.00 2.21 H new ATOM 0 HB2 TRP A 33 -5.708 -8.872 -3.365 1.00 11.44 H new ATOM 0 HB3 TRP A 33 -4.921 -10.433 -3.244 1.00 11.44 H new ATOM 0 HD1 TRP A 33 -2.070 -10.035 -4.295 1.00 31.54 H new ATOM 0 HE1 TRP A 33 -0.378 -8.391 -3.262 1.00 1.15 H new ATOM 0 HE3 TRP A 33 -5.384 -6.943 -1.931 1.00 1.24 H new ATOM 0 HZ2 TRP A 33 -0.477 -6.122 -1.609 1.00 63.11 H new ATOM 0 HZ3 TRP A 33 -4.499 -5.059 -0.611 1.00 3.03 H new ATOM 0 HH2 TRP A 33 -2.073 -4.663 -0.448 1.00 13.23 H new ATOM 548 N PHE A 34 -4.346 -7.954 -6.888 1.00 31.30 N ATOM 549 CA PHE A 34 -4.431 -6.668 -7.630 1.00 35.32 C ATOM 550 C PHE A 34 -4.856 -6.889 -9.107 1.00 64.44 C ATOM 551 O PHE A 34 -6.024 -6.688 -9.457 1.00 3.00 O ATOM 552 CB PHE A 34 -3.077 -5.911 -7.530 1.00 61.41 C ATOM 553 CG PHE A 34 -3.033 -4.550 -8.239 1.00 63.32 C ATOM 554 CD1 PHE A 34 -3.816 -3.486 -7.794 1.00 54.21 C ATOM 555 CD2 PHE A 34 -2.207 -4.334 -9.347 1.00 42.31 C ATOM 556 CE1 PHE A 34 -3.775 -2.258 -8.432 1.00 52.31 C ATOM 557 CE2 PHE A 34 -2.169 -3.105 -9.980 1.00 65.42 C ATOM 558 CZ PHE A 34 -2.953 -2.067 -9.524 1.00 33.31 C ATOM 0 H PHE A 34 -3.516 -8.506 -7.106 1.00 31.30 H new ATOM 0 HA PHE A 34 -5.205 -6.053 -7.171 1.00 35.32 H new ATOM 0 HB2 PHE A 34 -2.840 -5.761 -6.477 1.00 61.41 H new ATOM 0 HB3 PHE A 34 -2.294 -6.545 -7.946 1.00 61.41 H new ATOM 0 HD1 PHE A 34 -4.463 -3.621 -6.940 1.00 54.21 H new ATOM 0 HD2 PHE A 34 -1.589 -5.140 -9.714 1.00 42.31 H new ATOM 0 HE1 PHE A 34 -4.389 -1.445 -8.073 1.00 52.31 H new ATOM 0 HE2 PHE A 34 -1.524 -2.958 -10.833 1.00 65.42 H new ATOM 0 HZ PHE A 34 -2.924 -1.108 -10.019 1.00 33.31 H new ATOM 568 N ALA A 35 -3.906 -7.326 -9.960 1.00 25.13 N ATOM 569 CA ALA A 35 -4.129 -7.478 -11.425 1.00 5.23 C ATOM 570 C ALA A 35 -4.452 -8.940 -11.815 1.00 5.45 C ATOM 571 O ALA A 35 -4.365 -9.850 -10.982 1.00 73.23 O ATOM 572 CB ALA A 35 -2.888 -6.975 -12.191 1.00 23.24 C ATOM 0 H ALA A 35 -2.965 -7.584 -9.661 1.00 25.13 H new ATOM 0 HA ALA A 35 -4.996 -6.877 -11.698 1.00 5.23 H new ATOM 0 HB1 ALA A 35 -3.052 -7.087 -13.263 1.00 23.24 H new ATOM 0 HB2 ALA A 35 -2.718 -5.924 -11.957 1.00 23.24 H new ATOM 0 HB3 ALA A 35 -2.016 -7.558 -11.895 1.00 23.24 H new ATOM 578 N ASP A 36 -4.837 -9.145 -13.092 1.00 13.05 N ATOM 579 CA ASP A 36 -5.025 -10.496 -13.676 1.00 51.30 C ATOM 580 C ASP A 36 -3.678 -11.248 -13.752 1.00 54.42 C ATOM 581 O ASP A 36 -3.576 -12.422 -13.383 1.00 45.34 O ATOM 582 CB ASP A 36 -5.634 -10.391 -15.090 1.00 1.30 C ATOM 583 CG ASP A 36 -7.019 -9.718 -15.109 1.00 53.13 C ATOM 584 OD1 ASP A 36 -7.895 -10.116 -14.311 1.00 35.44 O ATOM 585 OD2 ASP A 36 -7.252 -8.822 -15.943 1.00 42.51 O ATOM 0 H ASP A 36 -5.026 -8.386 -13.746 1.00 13.05 H new ATOM 0 HA ASP A 36 -5.706 -11.051 -13.031 1.00 51.30 H new ATOM 0 HB2 ASP A 36 -4.955 -9.827 -15.729 1.00 1.30 H new ATOM 0 HB3 ASP A 36 -5.718 -11.390 -15.517 1.00 1.30 H new ATOM 590 N LYS A 37 -2.659 -10.544 -14.259 1.00 32.32 N ATOM 591 CA LYS A 37 -1.277 -11.028 -14.280 1.00 0.30 C ATOM 592 C LYS A 37 -0.326 -9.832 -14.067 1.00 64.44 C ATOM 593 O LYS A 37 -0.627 -8.709 -14.471 1.00 31.33 O ATOM 594 CB LYS A 37 -0.973 -11.756 -15.626 1.00 52.13 C ATOM 595 CG LYS A 37 0.160 -12.798 -15.528 1.00 14.14 C ATOM 596 CD LYS A 37 0.581 -13.385 -16.897 1.00 12.43 C ATOM 597 CE LYS A 37 1.480 -14.635 -16.758 1.00 12.34 C ATOM 598 NZ LYS A 37 2.675 -14.396 -15.899 1.00 4.55 N ATOM 0 H LYS A 37 -2.773 -9.617 -14.668 1.00 32.32 H new ATOM 0 HA LYS A 37 -1.127 -11.750 -13.477 1.00 0.30 H new ATOM 0 HB2 LYS A 37 -1.880 -12.251 -15.974 1.00 52.13 H new ATOM 0 HB3 LYS A 37 -0.707 -11.013 -16.378 1.00 52.13 H new ATOM 0 HG2 LYS A 37 1.028 -12.336 -15.058 1.00 14.14 H new ATOM 0 HG3 LYS A 37 -0.160 -13.611 -14.876 1.00 14.14 H new ATOM 0 HD2 LYS A 37 -0.311 -13.646 -17.466 1.00 12.43 H new ATOM 0 HD3 LYS A 37 1.111 -12.622 -17.467 1.00 12.43 H new ATOM 0 HE2 LYS A 37 0.894 -15.453 -16.338 1.00 12.34 H new ATOM 0 HE3 LYS A 37 1.808 -14.953 -17.748 1.00 12.34 H new ATOM 0 HZ1 LYS A 37 3.259 -15.256 -15.869 1.00 4.55 H new ATOM 0 HZ2 LYS A 37 3.234 -13.612 -16.292 1.00 4.55 H new ATOM 0 HZ3 LYS A 37 2.367 -14.153 -14.936 1.00 4.55 H new ATOM 612 N VAL A 38 0.800 -10.063 -13.391 1.00 45.44 N ATOM 613 CA VAL A 38 1.848 -9.044 -13.191 1.00 50.04 C ATOM 614 C VAL A 38 3.201 -9.611 -13.665 1.00 64.40 C ATOM 615 O VAL A 38 3.743 -10.530 -13.054 1.00 53.02 O ATOM 616 CB VAL A 38 1.927 -8.580 -11.683 1.00 71.23 C ATOM 617 CG1 VAL A 38 3.165 -7.698 -11.422 1.00 61.05 C ATOM 618 CG2 VAL A 38 0.636 -7.833 -11.255 1.00 74.55 C ATOM 0 H VAL A 38 1.018 -10.963 -12.963 1.00 45.44 H new ATOM 0 HA VAL A 38 1.597 -8.162 -13.781 1.00 50.04 H new ATOM 0 HB VAL A 38 2.021 -9.482 -11.078 1.00 71.23 H new ATOM 0 HG11 VAL A 38 3.184 -7.399 -10.374 1.00 61.05 H new ATOM 0 HG12 VAL A 38 4.069 -8.261 -11.655 1.00 61.05 H new ATOM 0 HG13 VAL A 38 3.118 -6.810 -12.052 1.00 61.05 H new ATOM 0 HG21 VAL A 38 0.722 -7.527 -10.212 1.00 74.55 H new ATOM 0 HG22 VAL A 38 0.501 -6.952 -11.882 1.00 74.55 H new ATOM 0 HG23 VAL A 38 -0.222 -8.495 -11.369 1.00 74.55 H new ATOM 628 N VAL A 39 3.719 -9.074 -14.779 1.00 34.44 N ATOM 629 CA VAL A 39 5.025 -9.485 -15.332 1.00 64.14 C ATOM 630 C VAL A 39 6.122 -8.474 -14.907 1.00 51.21 C ATOM 631 O VAL A 39 6.099 -7.317 -15.323 1.00 64.02 O ATOM 632 CB VAL A 39 4.959 -9.569 -16.910 1.00 42.55 C ATOM 633 CG1 VAL A 39 6.273 -10.146 -17.508 1.00 24.22 C ATOM 634 CG2 VAL A 39 3.723 -10.388 -17.376 1.00 53.04 C ATOM 0 H VAL A 39 3.251 -8.348 -15.321 1.00 34.44 H new ATOM 0 HA VAL A 39 5.271 -10.471 -14.939 1.00 64.14 H new ATOM 0 HB VAL A 39 4.849 -8.552 -17.287 1.00 42.55 H new ATOM 0 HG11 VAL A 39 6.190 -10.189 -18.594 1.00 24.22 H new ATOM 0 HG12 VAL A 39 7.110 -9.505 -17.233 1.00 24.22 H new ATOM 0 HG13 VAL A 39 6.441 -11.150 -17.117 1.00 24.22 H new ATOM 0 HG21 VAL A 39 3.703 -10.429 -18.465 1.00 53.04 H new ATOM 0 HG22 VAL A 39 3.785 -11.400 -16.976 1.00 53.04 H new ATOM 0 HG23 VAL A 39 2.813 -9.910 -17.014 1.00 53.04 H new ATOM 644 N SER A 40 7.092 -8.931 -14.092 1.00 51.00 N ATOM 645 CA SER A 40 8.256 -8.101 -13.678 1.00 74.51 C ATOM 646 C SER A 40 9.474 -8.387 -14.587 1.00 12.24 C ATOM 647 O SER A 40 9.627 -9.493 -15.109 1.00 24.11 O ATOM 648 CB SER A 40 8.629 -8.364 -12.200 1.00 3.42 C ATOM 649 OG SER A 40 9.173 -9.664 -12.012 1.00 43.03 O ATOM 0 H SER A 40 7.098 -9.874 -13.702 1.00 51.00 H new ATOM 0 HA SER A 40 7.973 -7.053 -13.781 1.00 74.51 H new ATOM 0 HB2 SER A 40 9.351 -7.617 -11.870 1.00 3.42 H new ATOM 0 HB3 SER A 40 7.743 -8.248 -11.576 1.00 3.42 H new ATOM 0 HG SER A 40 9.397 -9.791 -11.067 1.00 43.03 H new ATOM 655 N ASP A 41 10.353 -7.386 -14.745 1.00 4.33 N ATOM 656 CA ASP A 41 11.514 -7.451 -15.656 1.00 43.02 C ATOM 657 C ASP A 41 12.799 -7.018 -14.907 1.00 33.11 C ATOM 658 O ASP A 41 13.480 -6.063 -15.301 1.00 12.21 O ATOM 659 CB ASP A 41 11.223 -6.558 -16.901 1.00 33.53 C ATOM 660 CG ASP A 41 12.228 -6.771 -18.042 1.00 22.14 C ATOM 661 OD1 ASP A 41 12.196 -7.849 -18.668 1.00 61.44 O ATOM 662 OD2 ASP A 41 13.055 -5.871 -18.318 1.00 3.53 O ATOM 0 H ASP A 41 10.281 -6.501 -14.243 1.00 4.33 H new ATOM 0 HA ASP A 41 11.677 -8.472 -16.000 1.00 43.02 H new ATOM 0 HB2 ASP A 41 10.218 -6.770 -17.266 1.00 33.53 H new ATOM 0 HB3 ASP A 41 11.239 -5.510 -16.601 1.00 33.53 H new ATOM 667 N ASP A 42 13.057 -7.691 -13.757 1.00 12.31 N ATOM 668 CA ASP A 42 14.262 -7.487 -12.891 1.00 73.51 C ATOM 669 C ASP A 42 14.254 -6.132 -12.100 1.00 63.04 C ATOM 670 O ASP A 42 14.914 -6.007 -11.060 1.00 24.54 O ATOM 671 CB ASP A 42 15.566 -7.657 -13.735 1.00 23.34 C ATOM 672 CG ASP A 42 16.863 -7.642 -12.906 1.00 34.23 C ATOM 673 OD1 ASP A 42 17.211 -8.686 -12.320 1.00 31.00 O ATOM 674 OD2 ASP A 42 17.541 -6.594 -12.843 1.00 75.40 O ATOM 0 H ASP A 42 12.426 -8.405 -13.393 1.00 12.31 H new ATOM 0 HA ASP A 42 14.231 -8.260 -12.123 1.00 73.51 H new ATOM 0 HB2 ASP A 42 15.510 -8.597 -14.283 1.00 23.34 H new ATOM 0 HB3 ASP A 42 15.612 -6.858 -14.475 1.00 23.34 H new ATOM 679 N LYS A 43 13.461 -5.154 -12.563 1.00 20.31 N ATOM 680 CA LYS A 43 13.522 -3.747 -12.105 1.00 40.22 C ATOM 681 C LYS A 43 12.153 -3.046 -12.328 1.00 22.41 C ATOM 682 O LYS A 43 11.690 -2.276 -11.482 1.00 1.32 O ATOM 683 CB LYS A 43 14.669 -3.027 -12.885 1.00 3.42 C ATOM 684 CG LYS A 43 14.499 -3.061 -14.432 1.00 51.22 C ATOM 685 CD LYS A 43 15.795 -2.786 -15.223 1.00 20.24 C ATOM 686 CE LYS A 43 15.575 -2.915 -16.744 1.00 44.41 C ATOM 687 NZ LYS A 43 16.839 -2.777 -17.510 1.00 23.31 N ATOM 0 H LYS A 43 12.748 -5.314 -13.275 1.00 20.31 H new ATOM 0 HA LYS A 43 13.733 -3.704 -11.037 1.00 40.22 H new ATOM 0 HB2 LYS A 43 14.721 -1.989 -12.558 1.00 3.42 H new ATOM 0 HB3 LYS A 43 15.620 -3.491 -12.624 1.00 3.42 H new ATOM 0 HG2 LYS A 43 14.112 -4.038 -14.721 1.00 51.22 H new ATOM 0 HG3 LYS A 43 13.749 -2.324 -14.719 1.00 51.22 H new ATOM 0 HD2 LYS A 43 16.157 -1.784 -14.992 1.00 20.24 H new ATOM 0 HD3 LYS A 43 16.569 -3.485 -14.907 1.00 20.24 H new ATOM 0 HE2 LYS A 43 15.124 -3.883 -16.963 1.00 44.41 H new ATOM 0 HE3 LYS A 43 14.869 -2.153 -17.073 1.00 44.41 H new ATOM 0 HZ1 LYS A 43 16.641 -2.871 -18.527 1.00 23.31 H new ATOM 0 HZ2 LYS A 43 17.258 -1.843 -17.324 1.00 23.31 H new ATOM 0 HZ3 LYS A 43 17.505 -3.520 -17.217 1.00 23.31 H new ATOM 701 N THR A 44 11.512 -3.339 -13.482 1.00 64.01 N ATOM 702 CA THR A 44 10.209 -2.757 -13.878 1.00 72.25 C ATOM 703 C THR A 44 9.080 -3.789 -13.704 1.00 14.13 C ATOM 704 O THR A 44 9.156 -4.894 -14.232 1.00 45.03 O ATOM 705 CB THR A 44 10.234 -2.269 -15.367 1.00 14.11 C ATOM 706 OG1 THR A 44 11.267 -1.281 -15.535 1.00 15.24 O ATOM 707 CG2 THR A 44 8.882 -1.676 -15.819 1.00 42.35 C ATOM 0 H THR A 44 11.887 -3.991 -14.170 1.00 64.01 H new ATOM 0 HA THR A 44 10.024 -1.901 -13.229 1.00 72.25 H new ATOM 0 HB THR A 44 10.434 -3.142 -15.989 1.00 14.11 H new ATOM 0 HG1 THR A 44 11.282 -0.979 -16.467 1.00 15.24 H new ATOM 0 HG21 THR A 44 8.955 -1.354 -16.858 1.00 42.35 H new ATOM 0 HG22 THR A 44 8.104 -2.434 -15.728 1.00 42.35 H new ATOM 0 HG23 THR A 44 8.631 -0.821 -15.191 1.00 42.35 H new ATOM 715 N VAL A 45 8.032 -3.399 -12.981 1.00 2.44 N ATOM 716 CA VAL A 45 6.841 -4.232 -12.726 1.00 43.45 C ATOM 717 C VAL A 45 5.678 -3.772 -13.644 1.00 60.33 C ATOM 718 O VAL A 45 5.054 -2.731 -13.407 1.00 40.52 O ATOM 719 CB VAL A 45 6.432 -4.148 -11.203 1.00 1.12 C ATOM 720 CG1 VAL A 45 5.080 -4.836 -10.920 1.00 72.30 C ATOM 721 CG2 VAL A 45 7.543 -4.743 -10.303 1.00 60.34 C ATOM 0 H VAL A 45 7.978 -2.479 -12.544 1.00 2.44 H new ATOM 0 HA VAL A 45 7.070 -5.273 -12.954 1.00 43.45 H new ATOM 0 HB VAL A 45 6.312 -3.091 -10.964 1.00 1.12 H new ATOM 0 HG11 VAL A 45 4.843 -4.751 -9.859 1.00 72.30 H new ATOM 0 HG12 VAL A 45 4.297 -4.355 -11.506 1.00 72.30 H new ATOM 0 HG13 VAL A 45 5.143 -5.889 -11.194 1.00 72.30 H new ATOM 0 HG21 VAL A 45 7.240 -4.675 -9.258 1.00 60.34 H new ATOM 0 HG22 VAL A 45 7.704 -5.788 -10.567 1.00 60.34 H new ATOM 0 HG23 VAL A 45 8.468 -4.185 -10.450 1.00 60.34 H new ATOM 731 N THR A 46 5.425 -4.542 -14.714 1.00 62.22 N ATOM 732 CA THR A 46 4.350 -4.252 -15.685 1.00 65.12 C ATOM 733 C THR A 46 3.071 -5.043 -15.319 1.00 53.44 C ATOM 734 O THR A 46 3.044 -6.280 -15.393 1.00 50.20 O ATOM 735 CB THR A 46 4.791 -4.597 -17.154 1.00 75.05 C ATOM 736 OG1 THR A 46 6.029 -3.929 -17.458 1.00 73.23 O ATOM 737 CG2 THR A 46 3.729 -4.181 -18.200 1.00 23.54 C ATOM 0 H THR A 46 5.958 -5.384 -14.933 1.00 62.22 H new ATOM 0 HA THR A 46 4.140 -3.183 -15.638 1.00 65.12 H new ATOM 0 HB THR A 46 4.912 -5.679 -17.208 1.00 75.05 H new ATOM 0 HG1 THR A 46 6.302 -4.147 -18.373 1.00 73.23 H new ATOM 0 HG21 THR A 46 4.081 -4.440 -19.199 1.00 23.54 H new ATOM 0 HG22 THR A 46 2.794 -4.704 -17.997 1.00 23.54 H new ATOM 0 HG23 THR A 46 3.563 -3.105 -18.142 1.00 23.54 H new ATOM 745 N PHE A 47 2.019 -4.314 -14.928 1.00 45.00 N ATOM 746 CA PHE A 47 0.717 -4.896 -14.557 1.00 72.22 C ATOM 747 C PHE A 47 -0.086 -5.198 -15.835 1.00 63.31 C ATOM 748 O PHE A 47 -0.550 -4.278 -16.507 1.00 20.45 O ATOM 749 CB PHE A 47 -0.081 -3.903 -13.677 1.00 12.25 C ATOM 750 CG PHE A 47 0.711 -3.275 -12.539 1.00 31.45 C ATOM 751 CD1 PHE A 47 0.906 -3.955 -11.347 1.00 5.53 C ATOM 752 CD2 PHE A 47 1.235 -1.984 -12.654 1.00 51.25 C ATOM 753 CE1 PHE A 47 1.603 -3.370 -10.309 1.00 42.22 C ATOM 754 CE2 PHE A 47 1.937 -1.406 -11.616 1.00 11.33 C ATOM 755 CZ PHE A 47 2.117 -2.098 -10.439 1.00 53.43 C ATOM 0 H PHE A 47 2.044 -3.297 -14.859 1.00 45.00 H new ATOM 0 HA PHE A 47 0.885 -5.815 -13.995 1.00 72.22 H new ATOM 0 HB2 PHE A 47 -0.468 -3.107 -14.313 1.00 12.25 H new ATOM 0 HB3 PHE A 47 -0.942 -4.423 -13.257 1.00 12.25 H new ATOM 0 HD1 PHE A 47 0.509 -4.952 -11.229 1.00 5.53 H new ATOM 0 HD2 PHE A 47 1.088 -1.430 -13.570 1.00 51.25 H new ATOM 0 HE1 PHE A 47 1.747 -3.914 -9.387 1.00 42.22 H new ATOM 0 HE2 PHE A 47 2.345 -0.412 -11.727 1.00 11.33 H new ATOM 0 HZ PHE A 47 2.659 -1.646 -9.621 1.00 53.43 H new ATOM 765 N CYS A 48 -0.213 -6.483 -16.175 1.00 15.24 N ATOM 766 CA CYS A 48 -0.854 -6.921 -17.435 1.00 13.31 C ATOM 767 C CYS A 48 -2.284 -7.461 -17.192 1.00 63.43 C ATOM 768 O CYS A 48 -2.473 -8.541 -16.620 1.00 21.42 O ATOM 769 CB CYS A 48 0.038 -7.996 -18.096 1.00 42.12 C ATOM 770 SG CYS A 48 1.732 -7.435 -18.399 1.00 32.35 S ATOM 0 H CYS A 48 0.121 -7.252 -15.594 1.00 15.24 H new ATOM 0 HA CYS A 48 -0.953 -6.063 -18.100 1.00 13.31 H new ATOM 0 HB2 CYS A 48 0.064 -8.879 -17.458 1.00 42.12 H new ATOM 0 HB3 CYS A 48 -0.411 -8.299 -19.042 1.00 42.12 H new ATOM 0 HG CYS A 48 2.255 -7.014 -17.286 1.00 32.35 H new ATOM 776 N TRP A 49 -3.283 -6.692 -17.639 1.00 41.04 N ATOM 777 CA TRP A 49 -4.695 -7.104 -17.644 1.00 52.34 C ATOM 778 C TRP A 49 -5.067 -7.607 -19.058 1.00 12.04 C ATOM 779 O TRP A 49 -5.538 -6.835 -19.904 1.00 3.33 O ATOM 780 CB TRP A 49 -5.603 -5.921 -17.216 1.00 42.23 C ATOM 781 CG TRP A 49 -5.404 -5.442 -15.789 1.00 1.51 C ATOM 782 CD1 TRP A 49 -5.976 -5.967 -14.662 1.00 40.23 C ATOM 783 CD2 TRP A 49 -4.600 -4.331 -15.342 1.00 3.13 C ATOM 784 NE1 TRP A 49 -5.582 -5.261 -13.560 1.00 42.11 N ATOM 785 CE2 TRP A 49 -4.742 -4.254 -13.947 1.00 71.13 C ATOM 786 CE3 TRP A 49 -3.782 -3.396 -15.986 1.00 30.05 C ATOM 787 CZ2 TRP A 49 -4.095 -3.288 -13.180 1.00 73.44 C ATOM 788 CZ3 TRP A 49 -3.141 -2.433 -15.228 1.00 11.31 C ATOM 789 CH2 TRP A 49 -3.302 -2.386 -13.835 1.00 15.44 C ATOM 0 H TRP A 49 -3.134 -5.755 -18.012 1.00 41.04 H new ATOM 0 HA TRP A 49 -4.846 -7.912 -16.928 1.00 52.34 H new ATOM 0 HB2 TRP A 49 -5.426 -5.084 -17.892 1.00 42.23 H new ATOM 0 HB3 TRP A 49 -6.644 -6.218 -17.342 1.00 42.23 H new ATOM 0 HD1 TRP A 49 -6.643 -6.817 -14.646 1.00 40.23 H new ATOM 0 HE1 TRP A 49 -5.869 -5.455 -12.601 1.00 42.11 H new ATOM 0 HE3 TRP A 49 -3.653 -3.426 -17.058 1.00 30.05 H new ATOM 0 HZ2 TRP A 49 -4.215 -3.252 -12.107 1.00 73.44 H new ATOM 0 HZ3 TRP A 49 -2.507 -1.707 -15.715 1.00 11.31 H new ATOM 0 HH2 TRP A 49 -2.790 -1.622 -13.269 1.00 15.44 H new ATOM 800 N GLY A 50 -4.785 -8.897 -19.319 1.00 1.44 N ATOM 801 CA GLY A 50 -5.010 -9.503 -20.642 1.00 31.31 C ATOM 802 C GLY A 50 -4.094 -8.923 -21.736 1.00 51.15 C ATOM 803 O GLY A 50 -2.887 -9.190 -21.750 1.00 31.33 O ATOM 0 H GLY A 50 -4.400 -9.540 -18.628 1.00 1.44 H new ATOM 0 HA2 GLY A 50 -4.849 -10.579 -20.574 1.00 31.31 H new ATOM 0 HA3 GLY A 50 -6.050 -9.354 -20.931 1.00 31.31 H new ATOM 807 N LYS A 51 -4.677 -8.112 -22.648 1.00 41.44 N ATOM 808 CA LYS A 51 -3.947 -7.451 -23.769 1.00 74.30 C ATOM 809 C LYS A 51 -4.350 -5.954 -23.850 1.00 12.34 C ATOM 810 O LYS A 51 -5.491 -5.606 -23.514 1.00 73.02 O ATOM 811 CB LYS A 51 -4.257 -8.168 -25.122 1.00 24.21 C ATOM 812 CG LYS A 51 -4.009 -9.696 -25.105 1.00 41.20 C ATOM 813 CD LYS A 51 -4.374 -10.394 -26.435 1.00 64.12 C ATOM 814 CE LYS A 51 -4.295 -11.929 -26.327 1.00 32.23 C ATOM 815 NZ LYS A 51 -4.640 -12.595 -27.605 1.00 2.33 N ATOM 0 H LYS A 51 -5.673 -7.893 -22.632 1.00 41.44 H new ATOM 0 HA LYS A 51 -2.876 -7.522 -23.580 1.00 74.30 H new ATOM 0 HB2 LYS A 51 -5.298 -7.984 -25.387 1.00 24.21 H new ATOM 0 HB3 LYS A 51 -3.645 -7.721 -25.905 1.00 24.21 H new ATOM 0 HG2 LYS A 51 -2.959 -9.883 -24.882 1.00 41.20 H new ATOM 0 HG3 LYS A 51 -4.591 -10.142 -24.298 1.00 41.20 H new ATOM 0 HD2 LYS A 51 -5.382 -10.104 -26.731 1.00 64.12 H new ATOM 0 HD3 LYS A 51 -3.700 -10.051 -27.220 1.00 64.12 H new ATOM 0 HE2 LYS A 51 -3.288 -12.220 -26.027 1.00 32.23 H new ATOM 0 HE3 LYS A 51 -4.972 -12.273 -25.545 1.00 32.23 H new ATOM 0 HZ1 LYS A 51 -4.574 -13.626 -27.488 1.00 2.33 H new ATOM 0 HZ2 LYS A 51 -5.610 -12.339 -27.879 1.00 2.33 H new ATOM 0 HZ3 LYS A 51 -3.978 -12.288 -28.346 1.00 2.33 H new ATOM 829 N THR A 52 -3.400 -5.096 -24.302 1.00 4.22 N ATOM 830 CA THR A 52 -3.554 -3.606 -24.433 1.00 14.31 C ATOM 831 C THR A 52 -3.513 -2.876 -23.064 1.00 13.34 C ATOM 832 O THR A 52 -2.719 -1.942 -22.874 1.00 42.31 O ATOM 833 CB THR A 52 -4.833 -3.170 -25.253 1.00 74.02 C ATOM 834 OG1 THR A 52 -4.735 -3.669 -26.600 1.00 52.34 O ATOM 835 CG2 THR A 52 -5.034 -1.637 -25.302 1.00 45.45 C ATOM 0 H THR A 52 -2.478 -5.420 -24.596 1.00 4.22 H new ATOM 0 HA THR A 52 -2.683 -3.293 -25.009 1.00 14.31 H new ATOM 0 HB THR A 52 -5.694 -3.595 -24.736 1.00 74.02 H new ATOM 0 HG1 THR A 52 -5.529 -3.400 -27.107 1.00 52.34 H new ATOM 0 HG21 THR A 52 -5.929 -1.406 -25.880 1.00 45.45 H new ATOM 0 HG22 THR A 52 -5.147 -1.252 -24.288 1.00 45.45 H new ATOM 0 HG23 THR A 52 -4.168 -1.171 -25.772 1.00 45.45 H new ATOM 843 N GLU A 53 -4.368 -3.300 -22.119 1.00 63.44 N ATOM 844 CA GLU A 53 -4.436 -2.724 -20.769 1.00 11.21 C ATOM 845 C GLU A 53 -3.235 -3.216 -19.924 1.00 63.52 C ATOM 846 O GLU A 53 -3.241 -4.319 -19.376 1.00 21.24 O ATOM 847 CB GLU A 53 -5.798 -3.065 -20.104 1.00 13.41 C ATOM 848 CG GLU A 53 -6.001 -2.500 -18.677 1.00 54.11 C ATOM 849 CD GLU A 53 -5.927 -0.960 -18.580 1.00 54.34 C ATOM 850 OE1 GLU A 53 -4.819 -0.408 -18.381 1.00 13.34 O ATOM 851 OE2 GLU A 53 -6.982 -0.298 -18.693 1.00 54.31 O ATOM 0 H GLU A 53 -5.035 -4.057 -22.273 1.00 63.44 H new ATOM 0 HA GLU A 53 -4.372 -1.638 -20.833 1.00 11.21 H new ATOM 0 HB2 GLU A 53 -6.598 -2.690 -20.742 1.00 13.41 H new ATOM 0 HB3 GLU A 53 -5.903 -4.149 -20.065 1.00 13.41 H new ATOM 0 HG2 GLU A 53 -6.971 -2.828 -18.305 1.00 54.11 H new ATOM 0 HG3 GLU A 53 -5.245 -2.929 -18.019 1.00 54.11 H new ATOM 858 N GLN A 54 -2.190 -2.381 -19.889 1.00 2.10 N ATOM 859 CA GLN A 54 -0.913 -2.686 -19.222 1.00 23.44 C ATOM 860 C GLN A 54 -0.203 -1.383 -18.768 1.00 11.11 C ATOM 861 O GLN A 54 -0.142 -0.406 -19.524 1.00 10.02 O ATOM 862 CB GLN A 54 -0.012 -3.519 -20.182 1.00 74.00 C ATOM 863 CG GLN A 54 0.291 -2.841 -21.543 1.00 32.00 C ATOM 864 CD GLN A 54 1.103 -3.706 -22.515 1.00 44.33 C ATOM 865 OE1 GLN A 54 1.918 -4.533 -22.112 1.00 20.50 O ATOM 866 NE2 GLN A 54 0.893 -3.509 -23.806 1.00 14.24 N ATOM 0 H GLN A 54 -2.205 -1.461 -20.329 1.00 2.10 H new ATOM 0 HA GLN A 54 -1.108 -3.276 -18.327 1.00 23.44 H new ATOM 0 HB2 GLN A 54 0.932 -3.730 -19.679 1.00 74.00 H new ATOM 0 HB3 GLN A 54 -0.495 -4.478 -20.370 1.00 74.00 H new ATOM 0 HG2 GLN A 54 -0.652 -2.570 -22.018 1.00 32.00 H new ATOM 0 HG3 GLN A 54 0.834 -1.914 -21.360 1.00 32.00 H new ATOM 0 HE21 GLN A 54 0.210 -2.816 -24.112 1.00 14.24 H new ATOM 0 HE22 GLN A 54 1.414 -4.050 -24.496 1.00 14.24 H new ATOM 875 N ARG A 55 0.329 -1.368 -17.525 1.00 43.40 N ATOM 876 CA ARG A 55 1.062 -0.197 -16.968 1.00 1.14 C ATOM 877 C ARG A 55 2.415 -0.609 -16.354 1.00 32.01 C ATOM 878 O ARG A 55 2.475 -1.511 -15.528 1.00 62.34 O ATOM 879 CB ARG A 55 0.213 0.558 -15.915 1.00 55.12 C ATOM 880 CG ARG A 55 -1.051 1.239 -16.497 1.00 32.41 C ATOM 881 CD ARG A 55 -1.491 2.452 -15.667 1.00 41.41 C ATOM 882 NE ARG A 55 -2.733 3.061 -16.176 1.00 25.41 N ATOM 883 CZ ARG A 55 -2.892 4.327 -16.516 1.00 1.31 C ATOM 884 NH1 ARG A 55 -1.890 5.154 -16.566 1.00 32.21 N ATOM 885 NH2 ARG A 55 -4.061 4.748 -16.852 1.00 74.32 N ATOM 0 H ARG A 55 0.266 -2.157 -16.881 1.00 43.40 H new ATOM 0 HA ARG A 55 1.255 0.475 -17.804 1.00 1.14 H new ATOM 0 HB2 ARG A 55 -0.090 -0.143 -15.137 1.00 55.12 H new ATOM 0 HB3 ARG A 55 0.834 1.316 -15.437 1.00 55.12 H new ATOM 0 HG2 ARG A 55 -0.852 1.555 -17.521 1.00 32.41 H new ATOM 0 HG3 ARG A 55 -1.865 0.515 -16.539 1.00 32.41 H new ATOM 0 HD2 ARG A 55 -1.638 2.146 -14.631 1.00 41.41 H new ATOM 0 HD3 ARG A 55 -0.696 3.198 -15.670 1.00 41.41 H new ATOM 0 HE ARG A 55 -3.543 2.449 -16.275 1.00 25.41 H new ATOM 0 HH11 ARG A 55 -0.950 4.830 -16.339 1.00 32.21 H new ATOM 0 HH12 ARG A 55 -2.044 6.127 -16.832 1.00 32.21 H new ATOM 0 HH21 ARG A 55 -4.853 4.106 -16.854 1.00 74.32 H new ATOM 0 HH22 ARG A 55 -4.195 5.724 -17.116 1.00 74.32 H new ATOM 899 N GLN A 56 3.490 0.082 -16.757 1.00 15.01 N ATOM 900 CA GLN A 56 4.855 -0.142 -16.216 1.00 70.01 C ATOM 901 C GLN A 56 5.106 0.726 -14.957 1.00 53.13 C ATOM 902 O GLN A 56 4.818 1.928 -14.964 1.00 71.52 O ATOM 903 CB GLN A 56 5.917 0.196 -17.295 1.00 63.23 C ATOM 904 CG GLN A 56 5.794 -0.623 -18.597 1.00 23.35 C ATOM 905 CD GLN A 56 6.798 -0.202 -19.677 1.00 63.43 C ATOM 906 OE1 GLN A 56 7.196 0.958 -19.755 1.00 54.41 O ATOM 907 NE2 GLN A 56 7.198 -1.128 -20.528 1.00 65.00 N ATOM 0 H GLN A 56 3.447 0.814 -17.466 1.00 15.01 H new ATOM 0 HA GLN A 56 4.937 -1.192 -15.936 1.00 70.01 H new ATOM 0 HB2 GLN A 56 5.843 1.256 -17.540 1.00 63.23 H new ATOM 0 HB3 GLN A 56 6.909 0.035 -16.873 1.00 63.23 H new ATOM 0 HG2 GLN A 56 5.939 -1.679 -18.369 1.00 23.35 H new ATOM 0 HG3 GLN A 56 4.783 -0.517 -18.990 1.00 23.35 H new ATOM 0 HE21 GLN A 56 6.852 -2.084 -20.441 1.00 65.00 H new ATOM 0 HE22 GLN A 56 7.853 -0.888 -21.272 1.00 65.00 H new ATOM 916 N ALA A 57 5.664 0.115 -13.893 1.00 71.33 N ATOM 917 CA ALA A 57 6.048 0.830 -12.653 1.00 23.45 C ATOM 918 C ALA A 57 7.303 0.192 -12.020 1.00 4.32 C ATOM 919 O ALA A 57 7.268 -0.960 -11.590 1.00 61.31 O ATOM 920 CB ALA A 57 4.875 0.835 -11.650 1.00 53.32 C ATOM 0 H ALA A 57 5.862 -0.885 -13.866 1.00 71.33 H new ATOM 0 HA ALA A 57 6.286 1.862 -12.911 1.00 23.45 H new ATOM 0 HB1 ALA A 57 5.173 1.364 -10.745 1.00 53.32 H new ATOM 0 HB2 ALA A 57 4.016 1.336 -12.097 1.00 53.32 H new ATOM 0 HB3 ALA A 57 4.606 -0.191 -11.399 1.00 53.32 H new ATOM 926 N GLY A 58 8.401 0.966 -11.937 1.00 73.10 N ATOM 927 CA GLY A 58 9.664 0.475 -11.362 1.00 13.24 C ATOM 928 C GLY A 58 9.765 0.710 -9.856 1.00 50.10 C ATOM 929 O GLY A 58 9.202 1.684 -9.339 1.00 44.43 O ATOM 0 H GLY A 58 8.438 1.933 -12.261 1.00 73.10 H new ATOM 0 HA2 GLY A 58 9.759 -0.592 -11.565 1.00 13.24 H new ATOM 0 HA3 GLY A 58 10.499 0.969 -11.858 1.00 13.24 H new ATOM 933 N ILE A 59 10.488 -0.180 -9.140 1.00 60.13 N ATOM 934 CA ILE A 59 10.704 -0.032 -7.680 1.00 60.34 C ATOM 935 C ILE A 59 11.747 1.084 -7.447 1.00 75.23 C ATOM 936 O ILE A 59 12.865 1.012 -7.980 1.00 33.12 O ATOM 937 CB ILE A 59 11.198 -1.355 -6.942 1.00 41.43 C ATOM 938 CG1 ILE A 59 10.257 -2.589 -7.202 1.00 33.32 C ATOM 939 CG2 ILE A 59 11.327 -1.098 -5.412 1.00 61.54 C ATOM 940 CD1 ILE A 59 10.377 -3.226 -8.574 1.00 4.21 C ATOM 0 H ILE A 59 10.930 -1.005 -9.545 1.00 60.13 H new ATOM 0 HA ILE A 59 9.731 0.209 -7.251 1.00 60.34 H new ATOM 0 HB ILE A 59 12.173 -1.604 -7.361 1.00 41.43 H new ATOM 0 HG12 ILE A 59 10.467 -3.348 -6.449 1.00 33.32 H new ATOM 0 HG13 ILE A 59 9.224 -2.273 -7.057 1.00 33.32 H new ATOM 0 HG21 ILE A 59 11.665 -2.009 -4.917 1.00 61.54 H new ATOM 0 HG22 ILE A 59 12.049 -0.300 -5.237 1.00 61.54 H new ATOM 0 HG23 ILE A 59 10.357 -0.805 -5.009 1.00 61.54 H new ATOM 0 HD11 ILE A 59 9.686 -4.066 -8.647 1.00 4.21 H new ATOM 0 HD12 ILE A 59 10.135 -2.489 -9.340 1.00 4.21 H new ATOM 0 HD13 ILE A 59 11.397 -3.581 -8.722 1.00 4.21 H new ATOM 952 N VAL A 60 11.387 2.115 -6.666 1.00 30.50 N ATOM 953 CA VAL A 60 12.282 3.270 -6.410 1.00 62.30 C ATOM 954 C VAL A 60 12.963 3.192 -5.024 1.00 24.53 C ATOM 955 O VAL A 60 13.996 3.836 -4.814 1.00 4.42 O ATOM 956 CB VAL A 60 11.518 4.632 -6.593 1.00 14.54 C ATOM 957 CG1 VAL A 60 11.110 4.825 -8.075 1.00 3.41 C ATOM 958 CG2 VAL A 60 10.284 4.734 -5.654 1.00 15.43 C ATOM 0 H VAL A 60 10.483 2.178 -6.198 1.00 30.50 H new ATOM 0 HA VAL A 60 13.077 3.224 -7.154 1.00 62.30 H new ATOM 0 HB VAL A 60 12.198 5.436 -6.312 1.00 14.54 H new ATOM 0 HG11 VAL A 60 10.582 5.772 -8.187 1.00 3.41 H new ATOM 0 HG12 VAL A 60 12.003 4.831 -8.700 1.00 3.41 H new ATOM 0 HG13 VAL A 60 10.458 4.008 -8.382 1.00 3.41 H new ATOM 0 HG21 VAL A 60 9.785 5.690 -5.812 1.00 15.43 H new ATOM 0 HG22 VAL A 60 9.591 3.922 -5.874 1.00 15.43 H new ATOM 0 HG23 VAL A 60 10.610 4.662 -4.616 1.00 15.43 H new ATOM 968 N ALA A 61 12.383 2.395 -4.093 1.00 1.10 N ATOM 969 CA ALA A 61 12.996 2.109 -2.770 1.00 60.11 C ATOM 970 C ALA A 61 12.219 1.022 -1.994 1.00 62.12 C ATOM 971 O ALA A 61 10.986 0.955 -2.061 1.00 41.15 O ATOM 972 CB ALA A 61 13.105 3.385 -1.913 1.00 51.32 C ATOM 0 H ALA A 61 11.484 1.935 -4.235 1.00 1.10 H new ATOM 0 HA ALA A 61 13.999 1.732 -2.970 1.00 60.11 H new ATOM 0 HB1 ALA A 61 13.558 3.140 -0.952 1.00 51.32 H new ATOM 0 HB2 ALA A 61 13.724 4.118 -2.429 1.00 51.32 H new ATOM 0 HB3 ALA A 61 12.110 3.800 -1.750 1.00 51.32 H new ATOM 978 N ILE A 62 12.967 0.186 -1.253 1.00 33.01 N ATOM 979 CA ILE A 62 12.413 -0.883 -0.388 1.00 33.52 C ATOM 980 C ILE A 62 13.477 -1.331 0.649 1.00 32.04 C ATOM 981 O ILE A 62 14.681 -1.295 0.365 1.00 75.45 O ATOM 982 CB ILE A 62 11.900 -2.129 -1.233 1.00 11.41 C ATOM 983 CG1 ILE A 62 11.370 -3.279 -0.300 1.00 72.43 C ATOM 984 CG2 ILE A 62 12.990 -2.640 -2.205 1.00 42.05 C ATOM 985 CD1 ILE A 62 10.855 -4.522 -1.009 1.00 23.34 C ATOM 0 H ILE A 62 13.986 0.230 -1.234 1.00 33.01 H new ATOM 0 HA ILE A 62 11.550 -0.472 0.135 1.00 33.52 H new ATOM 0 HB ILE A 62 11.059 -1.790 -1.838 1.00 11.41 H new ATOM 0 HG12 ILE A 62 12.175 -3.575 0.373 1.00 72.43 H new ATOM 0 HG13 ILE A 62 10.567 -2.878 0.319 1.00 72.43 H new ATOM 0 HG21 ILE A 62 12.606 -3.492 -2.767 1.00 42.05 H new ATOM 0 HG22 ILE A 62 13.264 -1.843 -2.896 1.00 42.05 H new ATOM 0 HG23 ILE A 62 13.869 -2.946 -1.638 1.00 42.05 H new ATOM 0 HD11 ILE A 62 10.515 -5.248 -0.270 1.00 23.34 H new ATOM 0 HD12 ILE A 62 10.024 -4.251 -1.660 1.00 23.34 H new ATOM 0 HD13 ILE A 62 11.656 -4.959 -1.605 1.00 23.34 H new ATOM 997 N ARG A 63 13.024 -1.752 1.849 1.00 75.22 N ATOM 998 CA ARG A 63 13.918 -2.268 2.911 1.00 31.40 C ATOM 999 C ARG A 63 13.148 -3.278 3.795 1.00 44.25 C ATOM 1000 O ARG A 63 12.373 -2.876 4.670 1.00 52.34 O ATOM 1001 CB ARG A 63 14.472 -1.083 3.754 1.00 10.14 C ATOM 1002 CG ARG A 63 15.636 -1.433 4.709 1.00 41.40 C ATOM 1003 CD ARG A 63 16.201 -0.184 5.422 1.00 54.53 C ATOM 1004 NE ARG A 63 17.443 -0.487 6.166 1.00 13.53 N ATOM 1005 CZ ARG A 63 18.568 0.194 6.085 1.00 2.30 C ATOM 1006 NH1 ARG A 63 18.658 1.270 5.365 1.00 21.00 N ATOM 1007 NH2 ARG A 63 19.607 -0.212 6.738 1.00 73.15 N ATOM 0 H ARG A 63 12.038 -1.745 2.109 1.00 75.22 H new ATOM 0 HA ARG A 63 14.764 -2.787 2.461 1.00 31.40 H new ATOM 0 HB2 ARG A 63 14.807 -0.301 3.073 1.00 10.14 H new ATOM 0 HB3 ARG A 63 13.655 -0.665 4.343 1.00 10.14 H new ATOM 0 HG2 ARG A 63 15.290 -2.149 5.454 1.00 41.40 H new ATOM 0 HG3 ARG A 63 16.432 -1.919 4.146 1.00 41.40 H new ATOM 0 HD2 ARG A 63 16.400 0.595 4.686 1.00 54.53 H new ATOM 0 HD3 ARG A 63 15.453 0.211 6.110 1.00 54.53 H new ATOM 0 HE ARG A 63 17.427 -1.290 6.794 1.00 13.53 H new ATOM 0 HH11 ARG A 63 17.847 1.606 4.846 1.00 21.00 H new ATOM 0 HH12 ARG A 63 19.540 1.780 5.318 1.00 21.00 H new ATOM 0 HH21 ARG A 63 19.552 -1.054 7.311 1.00 73.15 H new ATOM 0 HH22 ARG A 63 20.482 0.310 6.680 1.00 73.15 H new ATOM 1021 N ALA A 64 13.397 -4.585 3.545 1.00 22.55 N ATOM 1022 CA ALA A 64 12.707 -5.733 4.198 1.00 24.33 C ATOM 1023 C ALA A 64 11.149 -5.613 4.165 1.00 1.44 C ATOM 1024 O ALA A 64 10.494 -6.121 3.249 1.00 60.34 O ATOM 1025 CB ALA A 64 13.240 -5.956 5.628 1.00 10.33 C ATOM 0 H ALA A 64 14.100 -4.882 2.868 1.00 22.55 H new ATOM 0 HA ALA A 64 12.944 -6.619 3.608 1.00 24.33 H new ATOM 0 HB1 ALA A 64 12.720 -6.799 6.083 1.00 10.33 H new ATOM 0 HB2 ALA A 64 14.309 -6.167 5.589 1.00 10.33 H new ATOM 0 HB3 ALA A 64 13.068 -5.060 6.224 1.00 10.33 H new ATOM 1031 N TYR A 65 10.582 -4.912 5.165 1.00 40.51 N ATOM 1032 CA TYR A 65 9.127 -4.612 5.267 1.00 44.43 C ATOM 1033 C TYR A 65 8.909 -3.246 5.977 1.00 70.34 C ATOM 1034 O TYR A 65 7.765 -2.802 6.172 1.00 24.31 O ATOM 1035 CB TYR A 65 8.388 -5.755 6.027 1.00 34.25 C ATOM 1036 CG TYR A 65 8.703 -5.846 7.535 1.00 33.00 C ATOM 1037 CD1 TYR A 65 9.999 -6.109 7.993 1.00 71.32 C ATOM 1038 CD2 TYR A 65 7.705 -5.660 8.499 1.00 62.13 C ATOM 1039 CE1 TYR A 65 10.285 -6.180 9.344 1.00 4.20 C ATOM 1040 CE2 TYR A 65 7.987 -5.729 9.851 1.00 1.13 C ATOM 1041 CZ TYR A 65 9.274 -5.992 10.271 1.00 75.42 C ATOM 1042 OH TYR A 65 9.556 -6.063 11.625 1.00 55.21 O ATOM 0 H TYR A 65 11.123 -4.529 5.940 1.00 40.51 H new ATOM 0 HA TYR A 65 8.710 -4.548 4.262 1.00 44.43 H new ATOM 0 HB2 TYR A 65 7.314 -5.618 5.903 1.00 34.25 H new ATOM 0 HB3 TYR A 65 8.644 -6.706 5.560 1.00 34.25 H new ATOM 0 HD1 TYR A 65 10.793 -6.260 7.276 1.00 71.32 H new ATOM 0 HD2 TYR A 65 6.693 -5.458 8.180 1.00 62.13 H new ATOM 0 HE1 TYR A 65 11.293 -6.381 9.675 1.00 4.20 H new ATOM 0 HE2 TYR A 65 7.201 -5.577 10.576 1.00 1.13 H new ATOM 0 HH TYR A 65 8.736 -5.907 12.139 1.00 55.21 H new ATOM 1052 N SER A 66 10.036 -2.583 6.347 1.00 11.22 N ATOM 1053 CA SER A 66 10.049 -1.284 7.057 1.00 15.43 C ATOM 1054 C SER A 66 9.555 -0.148 6.143 1.00 60.03 C ATOM 1055 O SER A 66 9.113 0.889 6.634 1.00 54.11 O ATOM 1056 CB SER A 66 11.477 -0.973 7.567 1.00 2.50 C ATOM 1057 OG SER A 66 11.969 -2.029 8.386 1.00 24.44 O ATOM 0 H SER A 66 10.971 -2.943 6.156 1.00 11.22 H new ATOM 0 HA SER A 66 9.371 -1.354 7.908 1.00 15.43 H new ATOM 0 HB2 SER A 66 12.145 -0.825 6.719 1.00 2.50 H new ATOM 0 HB3 SER A 66 11.470 -0.042 8.134 1.00 2.50 H new ATOM 0 HG SER A 66 12.873 -1.810 8.694 1.00 24.44 H new ATOM 1063 N PHE A 67 9.725 -0.340 4.816 1.00 35.55 N ATOM 1064 CA PHE A 67 9.048 0.468 3.766 1.00 0.50 C ATOM 1065 C PHE A 67 9.181 -0.179 2.369 1.00 54.24 C ATOM 1066 O PHE A 67 10.094 -0.976 2.120 1.00 34.12 O ATOM 1067 CB PHE A 67 9.568 1.941 3.726 1.00 61.54 C ATOM 1068 CG PHE A 67 11.076 2.097 3.528 1.00 71.14 C ATOM 1069 CD1 PHE A 67 11.643 2.114 2.249 1.00 51.32 C ATOM 1070 CD2 PHE A 67 11.928 2.240 4.624 1.00 44.11 C ATOM 1071 CE1 PHE A 67 13.003 2.276 2.078 1.00 71.53 C ATOM 1072 CE2 PHE A 67 13.289 2.400 4.451 1.00 50.13 C ATOM 1073 CZ PHE A 67 13.827 2.421 3.177 1.00 63.44 C ATOM 0 H PHE A 67 10.338 -1.062 4.437 1.00 35.55 H new ATOM 0 HA PHE A 67 7.992 0.491 4.037 1.00 0.50 H new ATOM 0 HB2 PHE A 67 9.056 2.468 2.921 1.00 61.54 H new ATOM 0 HB3 PHE A 67 9.288 2.433 4.657 1.00 61.54 H new ATOM 0 HD1 PHE A 67 11.008 1.999 1.383 1.00 51.32 H new ATOM 0 HD2 PHE A 67 11.517 2.225 5.623 1.00 44.11 H new ATOM 0 HE1 PHE A 67 13.424 2.289 1.083 1.00 71.53 H new ATOM 0 HE2 PHE A 67 13.933 2.509 5.311 1.00 50.13 H new ATOM 0 HZ PHE A 67 14.891 2.551 3.042 1.00 63.44 H new ATOM 1083 N ILE A 68 8.242 0.173 1.478 1.00 20.01 N ATOM 1084 CA ILE A 68 8.308 -0.144 0.038 1.00 21.22 C ATOM 1085 C ILE A 68 7.543 0.928 -0.781 1.00 33.23 C ATOM 1086 O ILE A 68 6.512 1.435 -0.330 1.00 64.35 O ATOM 1087 CB ILE A 68 7.755 -1.590 -0.284 1.00 71.12 C ATOM 1088 CG1 ILE A 68 7.894 -1.912 -1.812 1.00 72.31 C ATOM 1089 CG2 ILE A 68 6.294 -1.769 0.211 1.00 1.12 C ATOM 1090 CD1 ILE A 68 7.465 -3.306 -2.214 1.00 52.24 C ATOM 0 H ILE A 68 7.404 0.693 1.738 1.00 20.01 H new ATOM 0 HA ILE A 68 9.359 -0.134 -0.251 1.00 21.22 H new ATOM 0 HB ILE A 68 8.364 -2.309 0.264 1.00 71.12 H new ATOM 0 HG12 ILE A 68 7.303 -1.190 -2.375 1.00 72.31 H new ATOM 0 HG13 ILE A 68 8.934 -1.770 -2.105 1.00 72.31 H new ATOM 0 HG21 ILE A 68 5.949 -2.775 -0.028 1.00 1.12 H new ATOM 0 HG22 ILE A 68 6.254 -1.619 1.290 1.00 1.12 H new ATOM 0 HG23 ILE A 68 5.651 -1.039 -0.281 1.00 1.12 H new ATOM 0 HD11 ILE A 68 7.598 -3.432 -3.288 1.00 52.24 H new ATOM 0 HD12 ILE A 68 8.072 -4.040 -1.684 1.00 52.24 H new ATOM 0 HD13 ILE A 68 6.415 -3.451 -1.959 1.00 52.24 H new ATOM 1102 N ARG A 69 8.063 1.277 -1.981 1.00 0.54 N ATOM 1103 CA ARG A 69 7.430 2.276 -2.878 1.00 21.13 C ATOM 1104 C ARG A 69 7.832 2.080 -4.362 1.00 70.20 C ATOM 1105 O ARG A 69 8.972 1.724 -4.683 1.00 3.43 O ATOM 1106 CB ARG A 69 7.745 3.736 -2.405 1.00 12.43 C ATOM 1107 CG ARG A 69 9.211 3.998 -1.920 1.00 24.43 C ATOM 1108 CD ARG A 69 9.287 4.506 -0.458 1.00 62.34 C ATOM 1109 NE ARG A 69 10.666 4.820 -0.035 1.00 13.41 N ATOM 1110 CZ ARG A 69 11.011 5.383 1.102 1.00 14.11 C ATOM 1111 NH1 ARG A 69 10.127 5.825 1.940 1.00 52.14 N ATOM 1112 NH2 ARG A 69 12.263 5.516 1.385 1.00 1.32 N ATOM 0 H ARG A 69 8.925 0.879 -2.353 1.00 0.54 H new ATOM 0 HA ARG A 69 6.354 2.115 -2.816 1.00 21.13 H new ATOM 0 HB2 ARG A 69 7.528 4.418 -3.227 1.00 12.43 H new ATOM 0 HB3 ARG A 69 7.064 3.989 -1.593 1.00 12.43 H new ATOM 0 HG2 ARG A 69 9.787 3.077 -2.008 1.00 24.43 H new ATOM 0 HG3 ARG A 69 9.679 4.731 -2.577 1.00 24.43 H new ATOM 0 HD2 ARG A 69 8.668 5.397 -0.355 1.00 62.34 H new ATOM 0 HD3 ARG A 69 8.871 3.750 0.207 1.00 62.34 H new ATOM 0 HE ARG A 69 11.417 4.579 -0.682 1.00 13.41 H new ATOM 0 HH11 ARG A 69 9.133 5.741 1.725 1.00 52.14 H new ATOM 0 HH12 ARG A 69 10.425 6.257 2.815 1.00 52.14 H new ATOM 0 HH21 ARG A 69 12.972 5.186 0.730 1.00 1.32 H new ATOM 0 HH22 ARG A 69 12.544 5.951 2.264 1.00 1.32 H new ATOM 1126 N PHE A 70 6.850 2.327 -5.251 1.00 14.20 N ATOM 1127 CA PHE A 70 7.007 2.265 -6.723 1.00 25.53 C ATOM 1128 C PHE A 70 6.750 3.655 -7.341 1.00 12.14 C ATOM 1129 O PHE A 70 6.052 4.481 -6.746 1.00 33.22 O ATOM 1130 CB PHE A 70 5.984 1.268 -7.347 1.00 22.31 C ATOM 1131 CG PHE A 70 6.113 -0.191 -6.905 1.00 33.53 C ATOM 1132 CD1 PHE A 70 5.742 -0.592 -5.619 1.00 32.23 C ATOM 1133 CD2 PHE A 70 6.591 -1.169 -7.782 1.00 3.42 C ATOM 1134 CE1 PHE A 70 5.848 -1.910 -5.228 1.00 24.22 C ATOM 1135 CE2 PHE A 70 6.691 -2.486 -7.386 1.00 3.01 C ATOM 1136 CZ PHE A 70 6.323 -2.855 -6.111 1.00 33.00 C ATOM 0 H PHE A 70 5.905 2.581 -4.963 1.00 14.20 H new ATOM 0 HA PHE A 70 8.024 1.933 -6.934 1.00 25.53 H new ATOM 0 HB2 PHE A 70 4.978 1.612 -7.106 1.00 22.31 H new ATOM 0 HB3 PHE A 70 6.083 1.308 -8.432 1.00 22.31 H new ATOM 0 HD1 PHE A 70 5.367 0.141 -4.921 1.00 32.23 H new ATOM 0 HD2 PHE A 70 6.886 -0.889 -8.783 1.00 3.42 H new ATOM 0 HE1 PHE A 70 5.559 -2.202 -4.229 1.00 24.22 H new ATOM 0 HE2 PHE A 70 7.059 -3.230 -8.077 1.00 3.01 H new ATOM 0 HZ PHE A 70 6.407 -3.887 -5.803 1.00 33.00 H new ATOM 1146 N HIS A 71 7.318 3.901 -8.537 1.00 3.03 N ATOM 1147 CA HIS A 71 6.925 5.032 -9.414 1.00 42.30 C ATOM 1148 C HIS A 71 6.633 4.522 -10.833 1.00 72.14 C ATOM 1149 O HIS A 71 7.343 3.654 -11.353 1.00 41.34 O ATOM 1150 CB HIS A 71 7.991 6.152 -9.460 1.00 11.03 C ATOM 1151 CG HIS A 71 8.045 7.048 -8.252 1.00 61.21 C ATOM 1152 ND1 HIS A 71 7.147 7.000 -7.208 1.00 64.45 N ATOM 1153 CD2 HIS A 71 8.917 8.022 -7.937 1.00 33.04 C ATOM 1154 CE1 HIS A 71 7.473 7.886 -6.305 1.00 60.51 C ATOM 1155 NE2 HIS A 71 8.544 8.526 -6.719 1.00 63.23 N ATOM 0 H HIS A 71 8.063 3.324 -8.927 1.00 3.03 H new ATOM 0 HA HIS A 71 6.023 5.469 -8.986 1.00 42.30 H new ATOM 0 HB2 HIS A 71 8.970 5.692 -9.593 1.00 11.03 H new ATOM 0 HB3 HIS A 71 7.807 6.769 -10.340 1.00 11.03 H new ATOM 0 HD1 HIS A 71 6.348 6.368 -7.149 1.00 64.45 H new ATOM 0 HD2 HIS A 71 9.756 8.347 -8.534 1.00 33.04 H new ATOM 0 HE1 HIS A 71 6.951 8.063 -5.376 1.00 60.51 H new ATOM 1164 N TRP A 72 5.604 5.106 -11.462 1.00 24.53 N ATOM 1165 CA TRP A 72 5.087 4.635 -12.768 1.00 3.21 C ATOM 1166 C TRP A 72 5.884 5.211 -13.967 1.00 34.10 C ATOM 1167 O TRP A 72 5.968 6.428 -14.155 1.00 53.14 O ATOM 1168 CB TRP A 72 3.548 4.906 -12.909 1.00 52.13 C ATOM 1169 CG TRP A 72 3.037 6.219 -12.335 1.00 42.30 C ATOM 1170 CD1 TRP A 72 3.510 7.480 -12.566 1.00 54.32 C ATOM 1171 CD2 TRP A 72 1.925 6.379 -11.440 1.00 55.45 C ATOM 1172 NE1 TRP A 72 2.766 8.404 -11.883 1.00 23.44 N ATOM 1173 CE2 TRP A 72 1.788 7.752 -11.179 1.00 24.30 C ATOM 1174 CE3 TRP A 72 1.033 5.484 -10.835 1.00 3.20 C ATOM 1175 CZ2 TRP A 72 0.799 8.255 -10.340 1.00 54.43 C ATOM 1176 CZ3 TRP A 72 0.051 5.984 -10.001 1.00 23.35 C ATOM 1177 CH2 TRP A 72 -0.060 7.362 -9.762 1.00 43.22 C ATOM 0 H TRP A 72 5.105 5.913 -11.089 1.00 24.53 H new ATOM 0 HA TRP A 72 5.235 3.555 -12.791 1.00 3.21 H new ATOM 0 HB2 TRP A 72 3.291 4.873 -13.968 1.00 52.13 H new ATOM 0 HB3 TRP A 72 3.012 4.090 -12.425 1.00 52.13 H new ATOM 0 HD1 TRP A 72 4.353 7.715 -13.199 1.00 54.32 H new ATOM 0 HE1 TRP A 72 2.915 9.413 -11.896 1.00 23.44 H new ATOM 0 HE3 TRP A 72 1.111 4.422 -11.017 1.00 3.20 H new ATOM 0 HZ2 TRP A 72 0.713 9.315 -10.152 1.00 54.43 H new ATOM 0 HZ3 TRP A 72 -0.641 5.304 -9.526 1.00 23.35 H new ATOM 0 HH2 TRP A 72 -0.840 7.725 -9.108 1.00 43.22 H new ATOM 1188 N LEU A 73 6.480 4.306 -14.769 1.00 44.10 N ATOM 1189 CA LEU A 73 7.105 4.655 -16.067 1.00 52.12 C ATOM 1190 C LEU A 73 6.002 5.006 -17.097 1.00 72.51 C ATOM 1191 O LEU A 73 6.202 5.824 -18.002 1.00 11.31 O ATOM 1192 CB LEU A 73 7.971 3.478 -16.583 1.00 23.12 C ATOM 1193 CG LEU A 73 9.060 2.939 -15.597 1.00 3.03 C ATOM 1194 CD1 LEU A 73 9.891 1.819 -16.248 1.00 71.32 C ATOM 1195 CD2 LEU A 73 9.972 4.074 -15.068 1.00 4.51 C ATOM 0 H LEU A 73 6.543 3.314 -14.539 1.00 44.10 H new ATOM 0 HA LEU A 73 7.753 5.521 -15.929 1.00 52.12 H new ATOM 0 HB2 LEU A 73 7.308 2.654 -16.845 1.00 23.12 H new ATOM 0 HB3 LEU A 73 8.466 3.793 -17.501 1.00 23.12 H new ATOM 0 HG LEU A 73 8.538 2.517 -14.738 1.00 3.03 H new ATOM 0 HD11 LEU A 73 10.640 1.463 -15.540 1.00 71.32 H new ATOM 0 HD12 LEU A 73 9.235 0.994 -16.527 1.00 71.32 H new ATOM 0 HD13 LEU A 73 10.388 2.205 -17.138 1.00 71.32 H new ATOM 0 HD21 LEU A 73 10.714 3.657 -14.387 1.00 4.51 H new ATOM 0 HD22 LEU A 73 10.478 4.555 -15.905 1.00 4.51 H new ATOM 0 HD23 LEU A 73 9.367 4.810 -14.539 1.00 4.51 H new ATOM 1311 N TYR A 81 3.964 9.828 -5.439 1.00 10.30 N ATOM 1312 CA TYR A 81 4.444 9.567 -4.071 1.00 62.12 C ATOM 1313 C TYR A 81 3.449 8.637 -3.342 1.00 52.53 C ATOM 1314 O TYR A 81 2.505 9.094 -2.688 1.00 2.43 O ATOM 1315 CB TYR A 81 4.656 10.899 -3.285 1.00 52.12 C ATOM 1316 CG TYR A 81 5.233 10.744 -1.861 1.00 43.44 C ATOM 1317 CD1 TYR A 81 6.211 9.781 -1.563 1.00 12.53 C ATOM 1318 CD2 TYR A 81 4.803 11.565 -0.810 1.00 73.12 C ATOM 1319 CE1 TYR A 81 6.731 9.651 -0.285 1.00 30.11 C ATOM 1320 CE2 TYR A 81 5.326 11.436 0.462 1.00 5.50 C ATOM 1321 CZ TYR A 81 6.284 10.481 0.723 1.00 5.23 C ATOM 1322 OH TYR A 81 6.803 10.361 1.997 1.00 22.32 O ATOM 0 HA TYR A 81 5.412 9.070 -4.125 1.00 62.12 H new ATOM 0 HB2 TYR A 81 5.324 11.539 -3.862 1.00 52.12 H new ATOM 0 HB3 TYR A 81 3.699 11.417 -3.217 1.00 52.12 H new ATOM 0 HD1 TYR A 81 6.565 9.128 -2.347 1.00 12.53 H new ATOM 0 HD2 TYR A 81 4.048 12.314 -0.998 1.00 73.12 H new ATOM 0 HE1 TYR A 81 7.483 8.903 -0.079 1.00 30.11 H new ATOM 0 HE2 TYR A 81 4.983 12.085 1.254 1.00 5.50 H new ATOM 0 HH TYR A 81 6.381 11.021 2.586 1.00 22.32 H new ATOM 1332 N PHE A 82 3.659 7.324 -3.496 1.00 33.24 N ATOM 1333 CA PHE A 82 2.818 6.296 -2.861 1.00 55.23 C ATOM 1334 C PHE A 82 3.711 5.195 -2.252 1.00 61.54 C ATOM 1335 O PHE A 82 4.381 4.451 -2.980 1.00 11.32 O ATOM 1336 CB PHE A 82 1.831 5.708 -3.908 1.00 22.24 C ATOM 1337 CG PHE A 82 0.786 4.747 -3.337 1.00 60.13 C ATOM 1338 CD1 PHE A 82 -0.185 5.207 -2.446 1.00 53.24 C ATOM 1339 CD2 PHE A 82 0.755 3.397 -3.700 1.00 40.44 C ATOM 1340 CE1 PHE A 82 -1.141 4.355 -1.937 1.00 74.24 C ATOM 1341 CE2 PHE A 82 -0.206 2.545 -3.184 1.00 61.24 C ATOM 1342 CZ PHE A 82 -1.153 3.023 -2.303 1.00 14.11 C ATOM 0 H PHE A 82 4.416 6.942 -4.064 1.00 33.24 H new ATOM 0 HA PHE A 82 2.234 6.742 -2.056 1.00 55.23 H new ATOM 0 HB2 PHE A 82 1.315 6.531 -4.402 1.00 22.24 H new ATOM 0 HB3 PHE A 82 2.405 5.185 -4.674 1.00 22.24 H new ATOM 0 HD1 PHE A 82 -0.187 6.246 -2.151 1.00 53.24 H new ATOM 0 HD2 PHE A 82 1.490 3.014 -4.392 1.00 40.44 H new ATOM 0 HE1 PHE A 82 -1.884 4.730 -1.249 1.00 74.24 H new ATOM 0 HE2 PHE A 82 -0.214 1.504 -3.472 1.00 61.24 H new ATOM 0 HZ PHE A 82 -1.902 2.358 -1.900 1.00 14.11 H new ATOM 1352 N GLU A 83 3.728 5.115 -0.909 1.00 31.32 N ATOM 1353 CA GLU A 83 4.493 4.089 -0.166 1.00 53.41 C ATOM 1354 C GLU A 83 3.627 3.383 0.891 1.00 54.23 C ATOM 1355 O GLU A 83 2.655 3.941 1.408 1.00 54.45 O ATOM 1356 CB GLU A 83 5.746 4.701 0.510 1.00 23.34 C ATOM 1357 CG GLU A 83 5.463 5.787 1.557 1.00 22.25 C ATOM 1358 CD GLU A 83 6.717 6.215 2.334 1.00 3.42 C ATOM 1359 OE1 GLU A 83 7.503 7.030 1.812 1.00 4.02 O ATOM 1360 OE2 GLU A 83 6.928 5.723 3.464 1.00 52.34 O ATOM 0 H GLU A 83 3.214 5.757 -0.306 1.00 31.32 H new ATOM 0 HA GLU A 83 4.813 3.348 -0.898 1.00 53.41 H new ATOM 0 HB2 GLU A 83 6.310 3.899 0.986 1.00 23.34 H new ATOM 0 HB3 GLU A 83 6.386 5.124 -0.264 1.00 23.34 H new ATOM 0 HG2 GLU A 83 5.035 6.658 1.062 1.00 22.25 H new ATOM 0 HG3 GLU A 83 4.715 5.420 2.260 1.00 22.25 H new ATOM 1367 N ILE A 84 4.007 2.136 1.195 1.00 22.55 N ATOM 1368 CA ILE A 84 3.348 1.291 2.208 1.00 42.44 C ATOM 1369 C ILE A 84 4.422 0.738 3.172 1.00 1.43 C ATOM 1370 O ILE A 84 5.498 0.320 2.732 1.00 33.10 O ATOM 1371 CB ILE A 84 2.564 0.067 1.566 1.00 63.15 C ATOM 1372 CG1 ILE A 84 1.503 0.520 0.490 1.00 71.14 C ATOM 1373 CG2 ILE A 84 1.891 -0.786 2.674 1.00 51.21 C ATOM 1374 CD1 ILE A 84 2.048 0.773 -0.907 1.00 13.31 C ATOM 0 H ILE A 84 4.794 1.675 0.738 1.00 22.55 H new ATOM 0 HA ILE A 84 2.622 1.913 2.731 1.00 42.44 H new ATOM 0 HB ILE A 84 3.300 -0.543 1.042 1.00 63.15 H new ATOM 0 HG12 ILE A 84 0.729 -0.245 0.425 1.00 71.14 H new ATOM 0 HG13 ILE A 84 1.021 1.432 0.843 1.00 71.14 H new ATOM 0 HG21 ILE A 84 1.358 -1.620 2.218 1.00 51.21 H new ATOM 0 HG22 ILE A 84 2.654 -1.170 3.352 1.00 51.21 H new ATOM 0 HG23 ILE A 84 1.188 -0.168 3.232 1.00 51.21 H new ATOM 0 HD11 ILE A 84 1.235 1.079 -1.565 1.00 13.31 H new ATOM 0 HD12 ILE A 84 2.799 1.562 -0.867 1.00 13.31 H new ATOM 0 HD13 ILE A 84 2.502 -0.140 -1.291 1.00 13.31 H new ATOM 1386 N LYS A 85 4.151 0.776 4.486 1.00 53.34 N ATOM 1387 CA LYS A 85 4.970 0.058 5.487 1.00 73.23 C ATOM 1388 C LYS A 85 4.099 -0.536 6.608 1.00 61.21 C ATOM 1389 O LYS A 85 2.932 -0.165 6.777 1.00 41.35 O ATOM 1390 CB LYS A 85 6.094 0.955 6.085 1.00 53.42 C ATOM 1391 CG LYS A 85 5.667 2.278 6.767 1.00 41.40 C ATOM 1392 CD LYS A 85 5.376 3.419 5.762 1.00 12.35 C ATOM 1393 CE LYS A 85 5.076 4.746 6.466 1.00 63.11 C ATOM 1394 NZ LYS A 85 4.727 5.820 5.509 1.00 50.31 N ATOM 0 H LYS A 85 3.370 1.297 4.885 1.00 53.34 H new ATOM 0 HA LYS A 85 5.454 -0.763 4.957 1.00 73.23 H new ATOM 0 HB2 LYS A 85 6.644 0.362 6.816 1.00 53.42 H new ATOM 0 HB3 LYS A 85 6.791 1.200 5.284 1.00 53.42 H new ATOM 0 HG2 LYS A 85 4.776 2.097 7.369 1.00 41.40 H new ATOM 0 HG3 LYS A 85 6.454 2.597 7.450 1.00 41.40 H new ATOM 0 HD2 LYS A 85 6.233 3.546 5.101 1.00 12.35 H new ATOM 0 HD3 LYS A 85 4.528 3.142 5.136 1.00 12.35 H new ATOM 0 HE2 LYS A 85 4.254 4.605 7.168 1.00 63.11 H new ATOM 0 HE3 LYS A 85 5.945 5.050 7.050 1.00 63.11 H new ATOM 0 HZ1 LYS A 85 5.523 6.484 5.427 1.00 50.31 H new ATOM 0 HZ2 LYS A 85 4.526 5.403 4.578 1.00 50.31 H new ATOM 0 HZ3 LYS A 85 3.886 6.329 5.849 1.00 50.31 H new ATOM 1408 N MET A 86 4.697 -1.465 7.369 1.00 0.31 N ATOM 1409 CA MET A 86 4.032 -2.167 8.479 1.00 2.21 C ATOM 1410 C MET A 86 5.046 -2.459 9.609 1.00 44.51 C ATOM 1411 O MET A 86 6.174 -2.883 9.348 1.00 43.32 O ATOM 1412 CB MET A 86 3.349 -3.463 7.955 1.00 43.10 C ATOM 1413 CG MET A 86 4.247 -4.408 7.118 1.00 63.33 C ATOM 1414 SD MET A 86 3.362 -5.210 5.753 1.00 14.23 S ATOM 1415 CE MET A 86 1.880 -5.826 6.555 1.00 32.02 C ATOM 0 H MET A 86 5.665 -1.753 7.230 1.00 0.31 H new ATOM 0 HA MET A 86 3.252 -1.531 8.899 1.00 2.21 H new ATOM 0 HB2 MET A 86 2.966 -4.020 8.810 1.00 43.10 H new ATOM 0 HB3 MET A 86 2.489 -3.178 7.349 1.00 43.10 H new ATOM 0 HG2 MET A 86 5.085 -3.840 6.715 1.00 63.33 H new ATOM 0 HG3 MET A 86 4.666 -5.174 7.771 1.00 63.33 H new ATOM 0 HE1 MET A 86 1.768 -6.890 6.345 1.00 32.02 H new ATOM 0 HE2 MET A 86 1.959 -5.675 7.632 1.00 32.02 H new ATOM 0 HE3 MET A 86 1.011 -5.288 6.176 1.00 32.02 H new ATOM 1425 N SER A 87 4.631 -2.220 10.864 1.00 54.32 N ATOM 1426 CA SER A 87 5.516 -2.348 12.057 1.00 63.44 C ATOM 1427 C SER A 87 4.927 -3.326 13.093 1.00 4.35 C ATOM 1428 O SER A 87 3.718 -3.416 13.245 1.00 5.11 O ATOM 1429 CB SER A 87 5.738 -0.959 12.707 1.00 73.35 C ATOM 1430 OG SER A 87 6.560 -1.043 13.866 1.00 40.44 O ATOM 0 H SER A 87 3.679 -1.933 11.091 1.00 54.32 H new ATOM 0 HA SER A 87 6.473 -2.748 11.722 1.00 63.44 H new ATOM 0 HB2 SER A 87 6.199 -0.288 11.982 1.00 73.35 H new ATOM 0 HB3 SER A 87 4.775 -0.525 12.975 1.00 73.35 H new ATOM 0 HG SER A 87 6.679 -0.148 14.248 1.00 40.44 H new ATOM 1436 N TYR A 88 5.796 -4.037 13.825 1.00 73.22 N ATOM 1437 CA TYR A 88 5.383 -5.110 14.762 1.00 43.03 C ATOM 1438 C TYR A 88 5.803 -4.765 16.214 1.00 73.14 C ATOM 1439 O TYR A 88 6.987 -4.809 16.549 1.00 53.12 O ATOM 1440 CB TYR A 88 6.026 -6.440 14.276 1.00 11.40 C ATOM 1441 CG TYR A 88 5.665 -7.702 15.080 1.00 33.34 C ATOM 1442 CD1 TYR A 88 4.335 -8.059 15.306 1.00 24.23 C ATOM 1443 CD2 TYR A 88 6.653 -8.542 15.604 1.00 71.24 C ATOM 1444 CE1 TYR A 88 4.009 -9.198 16.015 1.00 31.32 C ATOM 1445 CE2 TYR A 88 6.327 -9.680 16.311 1.00 43.21 C ATOM 1446 CZ TYR A 88 5.010 -10.003 16.517 1.00 4.14 C ATOM 1447 OH TYR A 88 4.693 -11.132 17.229 1.00 11.34 O ATOM 0 H TYR A 88 6.805 -3.891 13.790 1.00 73.22 H new ATOM 0 HA TYR A 88 4.298 -5.212 14.771 1.00 43.03 H new ATOM 0 HB2 TYR A 88 5.737 -6.601 13.237 1.00 11.40 H new ATOM 0 HB3 TYR A 88 7.110 -6.322 14.291 1.00 11.40 H new ATOM 0 HD1 TYR A 88 3.545 -7.432 14.919 1.00 24.23 H new ATOM 0 HD2 TYR A 88 7.693 -8.294 15.452 1.00 71.24 H new ATOM 0 HE1 TYR A 88 2.973 -9.458 16.176 1.00 31.32 H new ATOM 0 HE2 TYR A 88 7.107 -10.316 16.702 1.00 43.21 H new ATOM 0 HH TYR A 88 5.516 -11.584 17.509 1.00 11.34 H new ATOM 1457 N ASN A 89 4.820 -4.417 17.079 1.00 41.24 N ATOM 1458 CA ASN A 89 5.093 -4.072 18.501 1.00 14.43 C ATOM 1459 C ASN A 89 5.446 -5.323 19.337 1.00 64.34 C ATOM 1460 O ASN A 89 6.136 -5.206 20.359 1.00 73.02 O ATOM 1461 CB ASN A 89 3.891 -3.341 19.149 1.00 53.34 C ATOM 1462 CG ASN A 89 3.620 -1.962 18.550 1.00 65.53 C ATOM 1463 OD1 ASN A 89 4.204 -0.968 18.967 1.00 11.04 O ATOM 1464 ND2 ASN A 89 2.718 -1.883 17.600 1.00 71.03 N ATOM 0 H ASN A 89 3.834 -4.367 16.821 1.00 41.24 H new ATOM 0 HA ASN A 89 5.953 -3.402 18.496 1.00 14.43 H new ATOM 0 HB2 ASN A 89 2.999 -3.958 19.039 1.00 53.34 H new ATOM 0 HB3 ASN A 89 4.075 -3.234 20.218 1.00 53.34 H new ATOM 0 HD21 ASN A 89 2.488 -0.978 17.190 1.00 71.03 H new ATOM 0 HD22 ASN A 89 2.247 -2.726 17.272 1.00 71.03 H new ATOM 1471 N GLU A 90 4.907 -6.497 18.916 1.00 20.22 N ATOM 1472 CA GLU A 90 5.150 -7.833 19.536 1.00 3.35 C ATOM 1473 C GLU A 90 4.373 -8.043 20.872 1.00 33.31 C ATOM 1474 O GLU A 90 3.764 -9.096 21.082 1.00 11.32 O ATOM 1475 CB GLU A 90 6.672 -8.117 19.732 1.00 55.41 C ATOM 1476 CG GLU A 90 7.018 -9.576 20.087 1.00 40.45 C ATOM 1477 CD GLU A 90 8.510 -9.787 20.404 1.00 42.12 C ATOM 1478 OE1 GLU A 90 9.329 -9.825 19.462 1.00 43.23 O ATOM 1479 OE2 GLU A 90 8.870 -9.911 21.596 1.00 22.53 O ATOM 0 H GLU A 90 4.275 -6.545 18.117 1.00 20.22 H new ATOM 0 HA GLU A 90 4.756 -8.559 18.825 1.00 3.35 H new ATOM 0 HB2 GLU A 90 7.198 -7.846 18.817 1.00 55.41 H new ATOM 0 HB3 GLU A 90 7.050 -7.467 20.521 1.00 55.41 H new ATOM 0 HG2 GLU A 90 6.424 -9.884 20.947 1.00 40.45 H new ATOM 0 HG3 GLU A 90 6.735 -10.222 19.256 1.00 40.45 H new ATOM 1486 N LEU A 91 4.376 -7.017 21.745 1.00 24.22 N ATOM 1487 CA LEU A 91 3.785 -7.060 23.105 1.00 5.42 C ATOM 1488 C LEU A 91 2.246 -7.215 23.067 1.00 54.53 C ATOM 1489 O LEU A 91 1.638 -7.676 24.035 1.00 12.11 O ATOM 1490 CB LEU A 91 4.178 -5.768 23.871 1.00 71.11 C ATOM 1491 CG LEU A 91 5.716 -5.517 24.036 1.00 61.01 C ATOM 1492 CD1 LEU A 91 6.005 -4.113 24.617 1.00 0.20 C ATOM 1493 CD2 LEU A 91 6.369 -6.627 24.896 1.00 31.41 C ATOM 0 H LEU A 91 4.797 -6.115 21.524 1.00 24.22 H new ATOM 0 HA LEU A 91 4.180 -7.936 23.620 1.00 5.42 H new ATOM 0 HB2 LEU A 91 3.743 -4.914 23.353 1.00 71.11 H new ATOM 0 HB3 LEU A 91 3.726 -5.804 24.862 1.00 71.11 H new ATOM 0 HG LEU A 91 6.164 -5.554 23.043 1.00 61.01 H new ATOM 0 HD11 LEU A 91 7.082 -3.975 24.717 1.00 0.20 H new ATOM 0 HD12 LEU A 91 5.603 -3.352 23.948 1.00 0.20 H new ATOM 0 HD13 LEU A 91 5.535 -4.021 25.596 1.00 0.20 H new ATOM 0 HD21 LEU A 91 7.436 -6.430 24.995 1.00 31.41 H new ATOM 0 HD22 LEU A 91 5.909 -6.640 25.884 1.00 31.41 H new ATOM 0 HD23 LEU A 91 6.222 -7.594 24.415 1.00 31.41 H new ATOM 1505 N THR A 92 1.628 -6.819 21.936 1.00 30.12 N ATOM 1506 CA THR A 92 0.188 -7.053 21.671 1.00 43.15 C ATOM 1507 C THR A 92 -0.031 -7.925 20.397 1.00 73.41 C ATOM 1508 O THR A 92 -1.162 -8.325 20.100 1.00 71.52 O ATOM 1509 CB THR A 92 -0.608 -5.697 21.575 1.00 12.43 C ATOM 1510 OG1 THR A 92 -2.010 -5.937 21.359 1.00 35.31 O ATOM 1511 CG2 THR A 92 -0.079 -4.765 20.474 1.00 42.21 C ATOM 0 H THR A 92 2.108 -6.329 21.181 1.00 30.12 H new ATOM 0 HA THR A 92 -0.207 -7.611 22.520 1.00 43.15 H new ATOM 0 HB THR A 92 -0.460 -5.197 22.532 1.00 12.43 H new ATOM 0 HG1 THR A 92 -2.133 -6.828 20.971 1.00 35.31 H new ATOM 0 HG21 THR A 92 -0.669 -3.848 20.459 1.00 42.21 H new ATOM 0 HG22 THR A 92 0.965 -4.522 20.674 1.00 42.21 H new ATOM 0 HG23 THR A 92 -0.157 -5.263 19.507 1.00 42.21 H new ATOM 1519 N GLY A 93 1.071 -8.232 19.668 1.00 32.21 N ATOM 1520 CA GLY A 93 1.040 -9.133 18.488 1.00 20.21 C ATOM 1521 C GLY A 93 0.270 -8.591 17.272 1.00 63.44 C ATOM 1522 O GLY A 93 -0.300 -9.359 16.488 1.00 53.11 O ATOM 0 H GLY A 93 1.999 -7.865 19.879 1.00 32.21 H new ATOM 0 HA2 GLY A 93 2.065 -9.344 18.184 1.00 20.21 H new ATOM 0 HA3 GLY A 93 0.595 -10.082 18.787 1.00 20.21 H new ATOM 1526 N ASP A 94 0.296 -7.266 17.108 1.00 21.24 N ATOM 1527 CA ASP A 94 -0.445 -6.536 16.053 1.00 4.23 C ATOM 1528 C ASP A 94 0.446 -6.255 14.812 1.00 25.01 C ATOM 1529 O ASP A 94 1.539 -6.802 14.681 1.00 23.43 O ATOM 1530 CB ASP A 94 -0.923 -5.184 16.659 1.00 31.44 C ATOM 1531 CG ASP A 94 0.242 -4.187 16.915 1.00 4.12 C ATOM 1532 OD1 ASP A 94 1.276 -4.594 17.504 1.00 63.32 O ATOM 1533 OD2 ASP A 94 0.141 -3.008 16.508 1.00 44.24 O ATOM 0 H ASP A 94 0.841 -6.650 17.712 1.00 21.24 H new ATOM 0 HA ASP A 94 -1.285 -7.146 15.722 1.00 4.23 H new ATOM 0 HB2 ASP A 94 -1.645 -4.725 15.984 1.00 31.44 H new ATOM 0 HB3 ASP A 94 -1.442 -5.376 17.598 1.00 31.44 H new ATOM 1538 N TYR A 95 -0.054 -5.393 13.910 1.00 4.21 N ATOM 1539 CA TYR A 95 0.783 -4.653 12.941 1.00 32.35 C ATOM 1540 C TYR A 95 0.251 -3.199 12.793 1.00 53.01 C ATOM 1541 O TYR A 95 -0.933 -2.981 12.526 1.00 70.11 O ATOM 1542 CB TYR A 95 0.838 -5.386 11.551 1.00 15.22 C ATOM 1543 CG TYR A 95 2.106 -6.237 11.325 1.00 3.40 C ATOM 1544 CD1 TYR A 95 3.268 -5.651 10.823 1.00 21.23 C ATOM 1545 CD2 TYR A 95 2.152 -7.604 11.614 1.00 5.23 C ATOM 1546 CE1 TYR A 95 4.419 -6.382 10.614 1.00 5.41 C ATOM 1547 CE2 TYR A 95 3.310 -8.342 11.411 1.00 54.53 C ATOM 1548 CZ TYR A 95 4.440 -7.727 10.908 1.00 32.12 C ATOM 1549 OH TYR A 95 5.593 -8.462 10.705 1.00 2.01 O ATOM 0 H TYR A 95 -1.050 -5.187 13.830 1.00 4.21 H new ATOM 0 HA TYR A 95 1.804 -4.616 13.320 1.00 32.35 H new ATOM 0 HB2 TYR A 95 -0.037 -6.029 11.459 1.00 15.22 H new ATOM 0 HB3 TYR A 95 0.770 -4.641 10.759 1.00 15.22 H new ATOM 0 HD1 TYR A 95 3.267 -4.596 10.592 1.00 21.23 H new ATOM 0 HD2 TYR A 95 1.271 -8.094 12.002 1.00 5.23 H new ATOM 0 HE1 TYR A 95 5.302 -5.900 10.221 1.00 5.41 H new ATOM 0 HE2 TYR A 95 3.327 -9.396 11.646 1.00 54.53 H new ATOM 0 HH TYR A 95 5.437 -9.394 10.964 1.00 2.01 H new ATOM 1559 N VAL A 96 1.148 -2.213 12.970 1.00 53.10 N ATOM 1560 CA VAL A 96 0.874 -0.795 12.664 1.00 10.33 C ATOM 1561 C VAL A 96 1.050 -0.566 11.149 1.00 3.32 C ATOM 1562 O VAL A 96 2.179 -0.468 10.651 1.00 34.34 O ATOM 1563 CB VAL A 96 1.816 0.169 13.484 1.00 62.14 C ATOM 1564 CG1 VAL A 96 1.546 1.660 13.140 1.00 12.42 C ATOM 1565 CG2 VAL A 96 1.666 -0.082 15.003 1.00 21.13 C ATOM 0 H VAL A 96 2.088 -2.377 13.331 1.00 53.10 H new ATOM 0 HA VAL A 96 -0.151 -0.565 12.956 1.00 10.33 H new ATOM 0 HB VAL A 96 2.845 -0.052 13.199 1.00 62.14 H new ATOM 0 HG11 VAL A 96 2.213 2.295 13.724 1.00 12.42 H new ATOM 0 HG12 VAL A 96 1.724 1.826 12.078 1.00 12.42 H new ATOM 0 HG13 VAL A 96 0.511 1.906 13.377 1.00 12.42 H new ATOM 0 HG21 VAL A 96 2.324 0.593 15.550 1.00 21.13 H new ATOM 0 HG22 VAL A 96 0.633 0.098 15.301 1.00 21.13 H new ATOM 0 HG23 VAL A 96 1.935 -1.114 15.230 1.00 21.13 H new ATOM 1575 N LEU A 97 -0.070 -0.532 10.424 1.00 64.44 N ATOM 1576 CA LEU A 97 -0.078 -0.447 8.954 1.00 35.34 C ATOM 1577 C LEU A 97 -0.262 1.011 8.489 1.00 51.34 C ATOM 1578 O LEU A 97 -1.342 1.563 8.630 1.00 41.42 O ATOM 1579 CB LEU A 97 -1.218 -1.340 8.399 1.00 73.11 C ATOM 1580 CG LEU A 97 -1.222 -1.532 6.856 1.00 25.33 C ATOM 1581 CD1 LEU A 97 0.084 -2.209 6.379 1.00 14.20 C ATOM 1582 CD2 LEU A 97 -2.477 -2.300 6.383 1.00 21.43 C ATOM 0 H LEU A 97 -1.002 -0.563 10.837 1.00 64.44 H new ATOM 0 HA LEU A 97 0.880 -0.799 8.572 1.00 35.34 H new ATOM 0 HB2 LEU A 97 -1.151 -2.321 8.870 1.00 73.11 H new ATOM 0 HB3 LEU A 97 -2.173 -0.908 8.697 1.00 73.11 H new ATOM 0 HG LEU A 97 -1.265 -0.545 6.396 1.00 25.33 H new ATOM 0 HD11 LEU A 97 0.056 -2.332 5.296 1.00 14.20 H new ATOM 0 HD12 LEU A 97 0.937 -1.587 6.652 1.00 14.20 H new ATOM 0 HD13 LEU A 97 0.181 -3.186 6.852 1.00 14.20 H new ATOM 0 HD21 LEU A 97 -2.446 -2.416 5.300 1.00 21.43 H new ATOM 0 HD22 LEU A 97 -2.500 -3.283 6.852 1.00 21.43 H new ATOM 0 HD23 LEU A 97 -3.371 -1.743 6.663 1.00 21.43 H new ATOM 1594 N GLU A 98 0.778 1.611 7.895 1.00 74.43 N ATOM 1595 CA GLU A 98 0.757 3.042 7.514 1.00 73.25 C ATOM 1596 C GLU A 98 1.044 3.190 5.997 1.00 3.23 C ATOM 1597 O GLU A 98 2.169 2.975 5.536 1.00 43.04 O ATOM 1598 CB GLU A 98 1.776 3.836 8.401 1.00 33.31 C ATOM 1599 CG GLU A 98 1.429 5.332 8.651 1.00 32.44 C ATOM 1600 CD GLU A 98 1.782 6.288 7.488 1.00 14.44 C ATOM 1601 OE1 GLU A 98 1.002 6.399 6.526 1.00 35.22 O ATOM 1602 OE2 GLU A 98 2.845 6.945 7.546 1.00 4.14 O ATOM 0 H GLU A 98 1.649 1.132 7.665 1.00 74.43 H new ATOM 0 HA GLU A 98 -0.231 3.466 7.694 1.00 73.25 H new ATOM 0 HB2 GLU A 98 1.858 3.335 9.365 1.00 33.31 H new ATOM 0 HB3 GLU A 98 2.758 3.783 7.930 1.00 33.31 H new ATOM 0 HG2 GLU A 98 0.362 5.412 8.856 1.00 32.44 H new ATOM 0 HG3 GLU A 98 1.952 5.666 9.547 1.00 32.44 H new ATOM 1609 N ILE A 99 -0.010 3.518 5.231 1.00 71.21 N ATOM 1610 CA ILE A 99 0.075 3.827 3.792 1.00 13.45 C ATOM 1611 C ILE A 99 0.150 5.363 3.617 1.00 53.30 C ATOM 1612 O ILE A 99 -0.802 6.082 3.944 1.00 20.43 O ATOM 1613 CB ILE A 99 -1.178 3.255 2.981 1.00 35.51 C ATOM 1614 CG1 ILE A 99 -1.182 1.686 2.895 1.00 12.51 C ATOM 1615 CG2 ILE A 99 -1.265 3.857 1.552 1.00 41.24 C ATOM 1616 CD1 ILE A 99 -1.415 0.948 4.196 1.00 63.24 C ATOM 0 H ILE A 99 -0.960 3.577 5.599 1.00 71.21 H new ATOM 0 HA ILE A 99 0.969 3.348 3.391 1.00 13.45 H new ATOM 0 HB ILE A 99 -2.057 3.562 3.548 1.00 35.51 H new ATOM 0 HG12 ILE A 99 -1.953 1.383 2.186 1.00 12.51 H new ATOM 0 HG13 ILE A 99 -0.226 1.363 2.484 1.00 12.51 H new ATOM 0 HG21 ILE A 99 -2.130 3.442 1.035 1.00 41.24 H new ATOM 0 HG22 ILE A 99 -1.367 4.940 1.619 1.00 41.24 H new ATOM 0 HG23 ILE A 99 -0.359 3.612 0.998 1.00 41.24 H new ATOM 0 HD11 ILE A 99 -1.396 -0.126 4.013 1.00 63.24 H new ATOM 0 HD12 ILE A 99 -0.631 1.209 4.908 1.00 63.24 H new ATOM 0 HD13 ILE A 99 -2.385 1.230 4.605 1.00 63.24 H new ATOM 1628 N THR A 100 1.281 5.861 3.109 1.00 23.10 N ATOM 1629 CA THR A 100 1.467 7.294 2.809 1.00 55.41 C ATOM 1630 C THR A 100 1.157 7.569 1.326 1.00 50.23 C ATOM 1631 O THR A 100 1.737 6.950 0.431 1.00 60.04 O ATOM 1632 CB THR A 100 2.911 7.775 3.169 1.00 23.05 C ATOM 1633 OG1 THR A 100 3.092 7.748 4.597 1.00 61.42 O ATOM 1634 CG2 THR A 100 3.240 9.183 2.641 1.00 61.44 C ATOM 0 H THR A 100 2.096 5.287 2.892 1.00 23.10 H new ATOM 0 HA THR A 100 0.771 7.860 3.428 1.00 55.41 H new ATOM 0 HB THR A 100 3.596 7.084 2.678 1.00 23.05 H new ATOM 0 HG1 THR A 100 2.319 7.315 5.017 1.00 61.42 H new ATOM 0 HG21 THR A 100 4.257 9.451 2.928 1.00 61.44 H new ATOM 0 HG22 THR A 100 3.155 9.193 1.554 1.00 61.44 H new ATOM 0 HG23 THR A 100 2.541 9.904 3.066 1.00 61.44 H new ATOM 1642 N ASP A 101 0.232 8.505 1.099 1.00 31.31 N ATOM 1643 CA ASP A 101 -0.231 8.917 -0.237 1.00 41.41 C ATOM 1644 C ASP A 101 -0.249 10.465 -0.314 1.00 62.02 C ATOM 1645 O ASP A 101 -0.033 11.149 0.692 1.00 4.42 O ATOM 1646 CB ASP A 101 -1.642 8.297 -0.471 1.00 54.54 C ATOM 1647 CG ASP A 101 -2.281 8.648 -1.828 1.00 23.44 C ATOM 1648 OD1 ASP A 101 -1.738 8.231 -2.876 1.00 51.12 O ATOM 1649 OD2 ASP A 101 -3.320 9.350 -1.854 1.00 53.14 O ATOM 0 H ASP A 101 -0.229 9.012 1.854 1.00 31.31 H new ATOM 0 HA ASP A 101 0.437 8.561 -1.021 1.00 41.41 H new ATOM 0 HB2 ASP A 101 -1.566 7.213 -0.390 1.00 54.54 H new ATOM 0 HB3 ASP A 101 -2.307 8.630 0.326 1.00 54.54 H new ATOM 1654 N PHE A 102 -0.466 11.016 -1.512 1.00 63.33 N ATOM 1655 CA PHE A 102 -0.684 12.464 -1.706 1.00 23.43 C ATOM 1656 C PHE A 102 -2.089 12.687 -2.330 1.00 62.14 C ATOM 1657 O PHE A 102 -2.409 12.139 -3.390 1.00 23.33 O ATOM 1658 CB PHE A 102 0.454 13.076 -2.587 1.00 15.03 C ATOM 1659 CG PHE A 102 0.480 12.600 -4.048 1.00 50.15 C ATOM 1660 CD1 PHE A 102 0.829 11.290 -4.371 1.00 64.35 C ATOM 1661 CD2 PHE A 102 0.130 13.461 -5.097 1.00 64.32 C ATOM 1662 CE1 PHE A 102 0.823 10.854 -5.680 1.00 12.23 C ATOM 1663 CE2 PHE A 102 0.131 13.020 -6.406 1.00 31.11 C ATOM 1664 CZ PHE A 102 0.476 11.715 -6.695 1.00 3.15 C ATOM 0 H PHE A 102 -0.497 10.477 -2.377 1.00 63.33 H new ATOM 0 HA PHE A 102 -0.650 12.977 -0.745 1.00 23.43 H new ATOM 0 HB2 PHE A 102 0.355 14.161 -2.577 1.00 15.03 H new ATOM 0 HB3 PHE A 102 1.414 12.839 -2.128 1.00 15.03 H new ATOM 0 HD1 PHE A 102 1.109 10.605 -3.584 1.00 64.35 H new ATOM 0 HD2 PHE A 102 -0.144 14.483 -4.879 1.00 64.32 H new ATOM 0 HE1 PHE A 102 1.092 9.833 -5.908 1.00 12.23 H new ATOM 0 HE2 PHE A 102 -0.138 13.696 -7.204 1.00 31.11 H new ATOM 0 HZ PHE A 102 0.473 11.370 -7.718 1.00 3.15 H new ATOM 1674 N SER A 103 -2.935 13.462 -1.644 1.00 53.13 N ATOM 1675 CA SER A 103 -4.289 13.831 -2.131 1.00 41.42 C ATOM 1676 C SER A 103 -4.549 15.318 -1.853 1.00 4.23 C ATOM 1677 O SER A 103 -4.158 15.828 -0.801 1.00 1.14 O ATOM 1678 CB SER A 103 -5.390 12.971 -1.457 1.00 14.03 C ATOM 1679 OG SER A 103 -5.302 11.601 -1.827 1.00 34.32 O ATOM 0 H SER A 103 -2.709 13.858 -0.731 1.00 53.13 H new ATOM 0 HA SER A 103 -4.326 13.642 -3.204 1.00 41.42 H new ATOM 0 HB2 SER A 103 -5.306 13.059 -0.374 1.00 14.03 H new ATOM 0 HB3 SER A 103 -6.371 13.358 -1.733 1.00 14.03 H new ATOM 0 HG SER A 103 -4.390 11.278 -1.670 1.00 34.32 H new ATOM 1685 N GLU A 104 -5.225 16.004 -2.792 1.00 62.32 N ATOM 1686 CA GLU A 104 -5.554 17.447 -2.660 1.00 64.54 C ATOM 1687 C GLU A 104 -6.511 17.685 -1.457 1.00 63.30 C ATOM 1688 O GLU A 104 -7.119 16.739 -0.966 1.00 52.45 O ATOM 1689 CB GLU A 104 -6.215 17.962 -3.962 1.00 50.22 C ATOM 1690 CG GLU A 104 -5.497 17.533 -5.252 1.00 50.35 C ATOM 1691 CD GLU A 104 -6.177 18.036 -6.532 1.00 71.11 C ATOM 1692 OE1 GLU A 104 -6.173 19.260 -6.768 1.00 52.21 O ATOM 1693 OE2 GLU A 104 -6.727 17.219 -7.299 1.00 22.54 O ATOM 0 H GLU A 104 -5.559 15.584 -3.659 1.00 62.32 H new ATOM 0 HA GLU A 104 -4.628 17.995 -2.484 1.00 64.54 H new ATOM 0 HB2 GLU A 104 -7.244 17.605 -3.998 1.00 50.22 H new ATOM 0 HB3 GLU A 104 -6.256 19.051 -3.928 1.00 50.22 H new ATOM 0 HG2 GLU A 104 -4.472 17.902 -5.227 1.00 50.35 H new ATOM 0 HG3 GLU A 104 -5.443 16.445 -5.283 1.00 50.35 H new ATOM 1700 N ALA A 105 -6.636 18.938 -0.982 1.00 51.13 N ATOM 1701 CA ALA A 105 -7.577 19.296 0.119 1.00 35.23 C ATOM 1702 C ALA A 105 -9.032 18.780 -0.119 1.00 25.24 C ATOM 1703 O ALA A 105 -9.646 18.182 0.775 1.00 42.42 O ATOM 1704 CB ALA A 105 -7.580 20.813 0.320 1.00 42.04 C ATOM 0 H ALA A 105 -6.099 19.729 -1.339 1.00 51.13 H new ATOM 0 HA ALA A 105 -7.218 18.797 1.019 1.00 35.23 H new ATOM 0 HB1 ALA A 105 -8.268 21.072 1.125 1.00 42.04 H new ATOM 0 HB2 ALA A 105 -6.576 21.148 0.580 1.00 42.04 H new ATOM 0 HB3 ALA A 105 -7.898 21.301 -0.601 1.00 42.04 H new ATOM 1710 N ASP A 106 -9.548 18.998 -1.344 1.00 71.25 N ATOM 1711 CA ASP A 106 -10.910 18.556 -1.752 1.00 55.42 C ATOM 1712 C ASP A 106 -10.984 17.015 -1.976 1.00 33.24 C ATOM 1713 O ASP A 106 -12.067 16.424 -1.953 1.00 53.21 O ATOM 1714 CB ASP A 106 -11.322 19.323 -3.034 1.00 11.00 C ATOM 1715 CG ASP A 106 -12.798 19.135 -3.426 1.00 44.14 C ATOM 1716 OD1 ASP A 106 -13.678 19.627 -2.683 1.00 1.21 O ATOM 1717 OD2 ASP A 106 -13.086 18.521 -4.477 1.00 62.30 O ATOM 0 H ASP A 106 -9.039 19.484 -2.083 1.00 71.25 H new ATOM 0 HA ASP A 106 -11.606 18.784 -0.945 1.00 55.42 H new ATOM 0 HB2 ASP A 106 -11.128 20.386 -2.888 1.00 11.00 H new ATOM 0 HB3 ASP A 106 -10.692 18.994 -3.861 1.00 11.00 H new ATOM 1722 N GLU A 107 -9.819 16.376 -2.169 1.00 11.44 N ATOM 1723 CA GLU A 107 -9.721 14.918 -2.443 1.00 22.02 C ATOM 1724 C GLU A 107 -9.460 14.088 -1.160 1.00 0.05 C ATOM 1725 O GLU A 107 -9.883 12.935 -1.069 1.00 2.34 O ATOM 1726 CB GLU A 107 -8.575 14.665 -3.458 1.00 54.24 C ATOM 1727 CG GLU A 107 -8.764 15.342 -4.835 1.00 35.32 C ATOM 1728 CD GLU A 107 -9.998 14.834 -5.603 1.00 73.44 C ATOM 1729 OE1 GLU A 107 -9.938 13.715 -6.158 1.00 73.24 O ATOM 1730 OE2 GLU A 107 -11.029 15.533 -5.648 1.00 2.52 O ATOM 0 H GLU A 107 -8.915 16.847 -2.141 1.00 11.44 H new ATOM 0 HA GLU A 107 -10.679 14.596 -2.851 1.00 22.02 H new ATOM 0 HB2 GLU A 107 -7.639 15.016 -3.022 1.00 54.24 H new ATOM 0 HB3 GLU A 107 -8.473 13.590 -3.609 1.00 54.24 H new ATOM 0 HG2 GLU A 107 -8.852 16.419 -4.693 1.00 35.32 H new ATOM 0 HG3 GLU A 107 -7.874 15.172 -5.440 1.00 35.32 H new ATOM 1737 N ALA A 108 -8.784 14.699 -0.175 1.00 11.13 N ATOM 1738 CA ALA A 108 -8.263 13.994 1.027 1.00 32.25 C ATOM 1739 C ALA A 108 -9.374 13.615 2.027 1.00 50.53 C ATOM 1740 O ALA A 108 -9.213 12.675 2.803 1.00 63.32 O ATOM 1741 CB ALA A 108 -7.178 14.836 1.706 1.00 65.23 C ATOM 0 H ALA A 108 -8.578 15.698 -0.181 1.00 11.13 H new ATOM 0 HA ALA A 108 -7.826 13.056 0.685 1.00 32.25 H new ATOM 0 HB1 ALA A 108 -6.805 14.309 2.584 1.00 65.23 H new ATOM 0 HB2 ALA A 108 -6.358 15.004 1.008 1.00 65.23 H new ATOM 0 HB3 ALA A 108 -7.598 15.795 2.010 1.00 65.23 H new ATOM 1747 N ASP A 109 -10.489 14.367 1.999 1.00 61.13 N ATOM 1748 CA ASP A 109 -11.693 14.107 2.836 1.00 44.43 C ATOM 1749 C ASP A 109 -12.239 12.667 2.616 1.00 71.20 C ATOM 1750 O ASP A 109 -12.603 11.971 3.577 1.00 40.13 O ATOM 1751 CB ASP A 109 -12.768 15.172 2.493 1.00 64.15 C ATOM 1752 CG ASP A 109 -14.083 15.011 3.282 1.00 43.23 C ATOM 1753 OD1 ASP A 109 -14.155 15.468 4.444 1.00 12.34 O ATOM 1754 OD2 ASP A 109 -15.049 14.436 2.742 1.00 71.33 O ATOM 0 H ASP A 109 -10.589 15.181 1.393 1.00 61.13 H new ATOM 0 HA ASP A 109 -11.425 14.181 3.890 1.00 44.43 H new ATOM 0 HB2 ASP A 109 -12.358 16.163 2.688 1.00 64.15 H new ATOM 0 HB3 ASP A 109 -12.987 15.122 1.427 1.00 64.15 H new ATOM 1759 N ASP A 110 -12.253 12.236 1.342 1.00 35.41 N ATOM 1760 CA ASP A 110 -12.663 10.870 0.944 1.00 10.34 C ATOM 1761 C ASP A 110 -11.709 9.797 1.523 1.00 1.03 C ATOM 1762 O ASP A 110 -12.148 8.729 1.946 1.00 22.21 O ATOM 1763 CB ASP A 110 -12.692 10.759 -0.597 1.00 40.30 C ATOM 1764 CG ASP A 110 -13.614 11.799 -1.246 1.00 10.02 C ATOM 1765 OD1 ASP A 110 -13.166 12.945 -1.474 1.00 13.41 O ATOM 1766 OD2 ASP A 110 -14.791 11.478 -1.528 1.00 14.31 O ATOM 0 H ASP A 110 -11.980 12.824 0.555 1.00 35.41 H new ATOM 0 HA ASP A 110 -13.659 10.690 1.348 1.00 10.34 H new ATOM 0 HB2 ASP A 110 -11.681 10.882 -0.986 1.00 40.30 H new ATOM 0 HB3 ASP A 110 -13.022 9.759 -0.879 1.00 40.30 H new ATOM 1771 N LEU A 111 -10.406 10.110 1.524 1.00 4.00 N ATOM 1772 CA LEU A 111 -9.338 9.224 2.053 1.00 43.33 C ATOM 1773 C LEU A 111 -9.409 9.084 3.594 1.00 61.10 C ATOM 1774 O LEU A 111 -9.077 8.036 4.147 1.00 72.51 O ATOM 1775 CB LEU A 111 -7.939 9.760 1.619 1.00 12.15 C ATOM 1776 CG LEU A 111 -7.464 9.411 0.164 1.00 71.21 C ATOM 1777 CD1 LEU A 111 -7.361 7.888 -0.045 1.00 21.44 C ATOM 1778 CD2 LEU A 111 -8.359 10.066 -0.910 1.00 3.34 C ATOM 0 H LEU A 111 -10.051 10.993 1.156 1.00 4.00 H new ATOM 0 HA LEU A 111 -9.492 8.231 1.632 1.00 43.33 H new ATOM 0 HB2 LEU A 111 -7.944 10.845 1.723 1.00 12.15 H new ATOM 0 HB3 LEU A 111 -7.197 9.377 2.319 1.00 12.15 H new ATOM 0 HG LEU A 111 -6.465 9.830 0.047 1.00 71.21 H new ATOM 0 HD11 LEU A 111 -7.030 7.682 -1.063 1.00 21.44 H new ATOM 0 HD12 LEU A 111 -6.643 7.472 0.662 1.00 21.44 H new ATOM 0 HD13 LEU A 111 -8.337 7.432 0.118 1.00 21.44 H new ATOM 0 HD21 LEU A 111 -7.994 9.798 -1.901 1.00 3.34 H new ATOM 0 HD22 LEU A 111 -9.384 9.714 -0.794 1.00 3.34 H new ATOM 0 HD23 LEU A 111 -8.332 11.150 -0.795 1.00 3.34 H new ATOM 1790 N LYS A 112 -9.816 10.164 4.267 1.00 12.31 N ATOM 1791 CA LYS A 112 -10.022 10.179 5.738 1.00 41.34 C ATOM 1792 C LYS A 112 -11.249 9.331 6.159 1.00 63.53 C ATOM 1793 O LYS A 112 -11.240 8.685 7.214 1.00 40.05 O ATOM 1794 CB LYS A 112 -10.188 11.633 6.229 1.00 32.25 C ATOM 1795 CG LYS A 112 -8.970 12.538 5.968 1.00 42.51 C ATOM 1796 CD LYS A 112 -7.717 12.124 6.768 1.00 35.25 C ATOM 1797 CE LYS A 112 -6.530 13.056 6.480 1.00 32.31 C ATOM 1798 NZ LYS A 112 -6.858 14.482 6.751 1.00 11.11 N ATOM 0 H LYS A 112 -10.015 11.058 3.818 1.00 12.31 H new ATOM 0 HA LYS A 112 -9.142 9.734 6.202 1.00 41.34 H new ATOM 0 HB2 LYS A 112 -11.060 12.070 5.743 1.00 32.25 H new ATOM 0 HB3 LYS A 112 -10.393 11.620 7.300 1.00 32.25 H new ATOM 0 HG2 LYS A 112 -8.735 12.520 4.904 1.00 42.51 H new ATOM 0 HG3 LYS A 112 -9.230 13.566 6.220 1.00 42.51 H new ATOM 0 HD2 LYS A 112 -7.943 12.140 7.834 1.00 35.25 H new ATOM 0 HD3 LYS A 112 -7.445 11.099 6.516 1.00 35.25 H new ATOM 0 HE2 LYS A 112 -5.679 12.758 7.092 1.00 32.31 H new ATOM 0 HE3 LYS A 112 -6.228 12.946 5.439 1.00 32.31 H new ATOM 0 HZ1 LYS A 112 -5.983 15.044 6.758 1.00 11.11 H new ATOM 0 HZ2 LYS A 112 -7.493 14.839 6.009 1.00 11.11 H new ATOM 0 HZ3 LYS A 112 -7.328 14.561 7.676 1.00 11.11 H new ATOM 1812 N GLU A 113 -12.316 9.376 5.342 1.00 11.05 N ATOM 1813 CA GLU A 113 -13.497 8.500 5.517 1.00 32.33 C ATOM 1814 C GLU A 113 -13.155 7.032 5.162 1.00 43.52 C ATOM 1815 O GLU A 113 -13.675 6.099 5.776 1.00 3.10 O ATOM 1816 CB GLU A 113 -14.683 9.007 4.659 1.00 61.03 C ATOM 1817 CG GLU A 113 -15.232 10.387 5.076 1.00 35.13 C ATOM 1818 CD GLU A 113 -16.507 10.793 4.320 1.00 21.42 C ATOM 1819 OE1 GLU A 113 -17.564 10.161 4.546 1.00 53.25 O ATOM 1820 OE2 GLU A 113 -16.470 11.736 3.502 1.00 65.43 O ATOM 0 H GLU A 113 -12.388 10.012 4.548 1.00 11.05 H new ATOM 0 HA GLU A 113 -13.791 8.534 6.566 1.00 32.33 H new ATOM 0 HB2 GLU A 113 -14.366 9.056 3.617 1.00 61.03 H new ATOM 0 HB3 GLU A 113 -15.491 8.278 4.712 1.00 61.03 H new ATOM 0 HG2 GLU A 113 -15.441 10.378 6.146 1.00 35.13 H new ATOM 0 HG3 GLU A 113 -14.463 11.141 4.907 1.00 35.13 H new ATOM 1827 N LEU A 114 -12.260 6.855 4.167 1.00 22.35 N ATOM 1828 CA LEU A 114 -11.714 5.532 3.769 1.00 30.14 C ATOM 1829 C LEU A 114 -10.918 4.916 4.949 1.00 13.04 C ATOM 1830 O LEU A 114 -11.006 3.711 5.203 1.00 51.31 O ATOM 1831 CB LEU A 114 -10.838 5.708 2.482 1.00 43.55 C ATOM 1832 CG LEU A 114 -10.299 4.412 1.758 1.00 51.14 C ATOM 1833 CD1 LEU A 114 -10.014 4.690 0.262 1.00 74.11 C ATOM 1834 CD2 LEU A 114 -9.022 3.839 2.426 1.00 53.11 C ATOM 0 H LEU A 114 -11.892 7.627 3.612 1.00 22.35 H new ATOM 0 HA LEU A 114 -12.521 4.839 3.532 1.00 30.14 H new ATOM 0 HB2 LEU A 114 -11.423 6.274 1.757 1.00 43.55 H new ATOM 0 HB3 LEU A 114 -9.978 6.322 2.747 1.00 43.55 H new ATOM 0 HG LEU A 114 -11.088 3.665 1.849 1.00 51.14 H new ATOM 0 HD11 LEU A 114 -9.644 3.781 -0.213 1.00 74.11 H new ATOM 0 HD12 LEU A 114 -10.933 5.008 -0.230 1.00 74.11 H new ATOM 0 HD13 LEU A 114 -9.264 5.476 0.174 1.00 74.11 H new ATOM 0 HD21 LEU A 114 -8.697 2.949 1.886 1.00 53.11 H new ATOM 0 HD22 LEU A 114 -8.231 4.588 2.401 1.00 53.11 H new ATOM 0 HD23 LEU A 114 -9.240 3.576 3.461 1.00 53.11 H new ATOM 1846 N TRP A 115 -10.166 5.776 5.670 1.00 2.10 N ATOM 1847 CA TRP A 115 -9.429 5.397 6.902 1.00 53.14 C ATOM 1848 C TRP A 115 -10.380 4.753 7.949 1.00 60.13 C ATOM 1849 O TRP A 115 -10.113 3.657 8.452 1.00 45.33 O ATOM 1850 CB TRP A 115 -8.706 6.654 7.493 1.00 41.41 C ATOM 1851 CG TRP A 115 -8.098 6.458 8.875 1.00 21.50 C ATOM 1852 CD1 TRP A 115 -6.855 5.975 9.174 1.00 35.31 C ATOM 1853 CD2 TRP A 115 -8.727 6.741 10.145 1.00 11.31 C ATOM 1854 NE1 TRP A 115 -6.681 5.934 10.535 1.00 45.40 N ATOM 1855 CE2 TRP A 115 -7.814 6.390 11.151 1.00 73.25 C ATOM 1856 CE3 TRP A 115 -9.976 7.251 10.518 1.00 12.23 C ATOM 1857 CZ2 TRP A 115 -8.110 6.526 12.508 1.00 62.43 C ATOM 1858 CZ3 TRP A 115 -10.271 7.387 11.862 1.00 0.42 C ATOM 1859 CH2 TRP A 115 -9.341 7.026 12.843 1.00 15.34 C ATOM 0 H TRP A 115 -10.051 6.757 5.415 1.00 2.10 H new ATOM 0 HA TRP A 115 -8.678 4.650 6.645 1.00 53.14 H new ATOM 0 HB2 TRP A 115 -7.916 6.957 6.805 1.00 41.41 H new ATOM 0 HB3 TRP A 115 -9.420 7.476 7.540 1.00 41.41 H new ATOM 0 HD1 TRP A 115 -6.118 5.670 8.446 1.00 35.31 H new ATOM 0 HE1 TRP A 115 -5.838 5.614 11.012 1.00 45.40 H new ATOM 0 HE3 TRP A 115 -10.699 7.534 9.767 1.00 12.23 H new ATOM 0 HZ2 TRP A 115 -7.394 6.247 13.267 1.00 62.43 H new ATOM 0 HZ3 TRP A 115 -11.233 7.778 12.159 1.00 0.42 H new ATOM 0 HH2 TRP A 115 -9.599 7.144 13.885 1.00 15.34 H new ATOM 1870 N ASP A 116 -11.501 5.450 8.238 1.00 5.54 N ATOM 1871 CA ASP A 116 -12.504 5.019 9.246 1.00 74.11 C ATOM 1872 C ASP A 116 -13.240 3.730 8.796 1.00 64.02 C ATOM 1873 O ASP A 116 -13.568 2.860 9.617 1.00 41.21 O ATOM 1874 CB ASP A 116 -13.501 6.176 9.515 1.00 50.35 C ATOM 1875 CG ASP A 116 -14.430 5.894 10.708 1.00 1.03 C ATOM 1876 OD1 ASP A 116 -14.002 6.082 11.867 1.00 4.53 O ATOM 1877 OD2 ASP A 116 -15.581 5.457 10.497 1.00 43.12 O ATOM 0 H ASP A 116 -11.739 6.330 7.780 1.00 5.54 H new ATOM 0 HA ASP A 116 -11.987 4.779 10.175 1.00 74.11 H new ATOM 0 HB2 ASP A 116 -12.944 7.094 9.703 1.00 50.35 H new ATOM 0 HB3 ASP A 116 -14.104 6.346 8.623 1.00 50.35 H new ATOM 1882 N SER A 117 -13.470 3.623 7.481 1.00 54.52 N ATOM 1883 CA SER A 117 -14.071 2.428 6.855 1.00 60.11 C ATOM 1884 C SER A 117 -13.176 1.175 7.042 1.00 32.53 C ATOM 1885 O SER A 117 -13.669 0.099 7.384 1.00 21.35 O ATOM 1886 CB SER A 117 -14.310 2.683 5.347 1.00 15.32 C ATOM 1887 OG SER A 117 -15.241 3.737 5.135 1.00 2.50 O ATOM 0 H SER A 117 -13.245 4.363 6.815 1.00 54.52 H new ATOM 0 HA SER A 117 -15.024 2.237 7.349 1.00 60.11 H new ATOM 0 HB2 SER A 117 -13.364 2.930 4.865 1.00 15.32 H new ATOM 0 HB3 SER A 117 -14.679 1.771 4.877 1.00 15.32 H new ATOM 0 HG SER A 117 -14.807 4.598 5.312 1.00 2.50 H new ATOM 1893 N GLN A 118 -11.856 1.339 6.834 1.00 75.55 N ATOM 1894 CA GLN A 118 -10.875 0.228 6.900 1.00 24.13 C ATOM 1895 C GLN A 118 -10.532 -0.178 8.356 1.00 52.22 C ATOM 1896 O GLN A 118 -10.406 -1.363 8.644 1.00 12.13 O ATOM 1897 CB GLN A 118 -9.581 0.612 6.141 1.00 75.35 C ATOM 1898 CG GLN A 118 -9.744 0.818 4.621 1.00 31.50 C ATOM 1899 CD GLN A 118 -10.085 -0.466 3.865 1.00 13.00 C ATOM 1900 OE1 GLN A 118 -9.204 -1.185 3.418 1.00 11.01 O ATOM 1901 NE2 GLN A 118 -11.361 -0.761 3.711 1.00 44.11 N ATOM 0 H GLN A 118 -11.435 2.242 6.615 1.00 75.55 H new ATOM 0 HA GLN A 118 -11.340 -0.636 6.424 1.00 24.13 H new ATOM 0 HB2 GLN A 118 -9.184 1.530 6.575 1.00 75.35 H new ATOM 0 HB3 GLN A 118 -8.837 -0.167 6.308 1.00 75.35 H new ATOM 0 HG2 GLN A 118 -10.529 1.554 4.444 1.00 31.50 H new ATOM 0 HG3 GLN A 118 -8.821 1.234 4.218 1.00 31.50 H new ATOM 0 HE21 GLN A 118 -12.077 -0.144 4.094 1.00 44.11 H new ATOM 0 HE22 GLN A 118 -11.632 -1.606 3.209 1.00 44.11 H new ATOM 1910 N VAL A 119 -10.395 0.806 9.263 1.00 13.22 N ATOM 1911 CA VAL A 119 -9.967 0.546 10.663 1.00 64.14 C ATOM 1912 C VAL A 119 -11.023 -0.312 11.430 1.00 33.24 C ATOM 1913 O VAL A 119 -10.670 -1.149 12.270 1.00 43.11 O ATOM 1914 CB VAL A 119 -9.642 1.896 11.423 1.00 34.00 C ATOM 1915 CG1 VAL A 119 -10.911 2.738 11.713 1.00 13.34 C ATOM 1916 CG2 VAL A 119 -8.830 1.646 12.716 1.00 32.23 C ATOM 0 H VAL A 119 -10.573 1.789 9.059 1.00 13.22 H new ATOM 0 HA VAL A 119 -9.046 -0.035 10.627 1.00 64.14 H new ATOM 0 HB VAL A 119 -9.020 2.483 10.747 1.00 34.00 H new ATOM 0 HG11 VAL A 119 -10.629 3.652 12.235 1.00 13.34 H new ATOM 0 HG12 VAL A 119 -11.401 2.993 10.773 1.00 13.34 H new ATOM 0 HG13 VAL A 119 -11.596 2.161 12.334 1.00 13.34 H new ATOM 0 HG21 VAL A 119 -8.627 2.597 13.208 1.00 32.23 H new ATOM 0 HG22 VAL A 119 -9.402 1.005 13.387 1.00 32.23 H new ATOM 0 HG23 VAL A 119 -7.887 1.159 12.465 1.00 32.23 H new