USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=28 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 7 HIS : no HD1:sc= -2.37! K(o=-2.3!,f=-2.9) USER MOD Set 1.2: A 100 THR OG1 : rot 139:sc= 0.0694 USER MOD Set 2.1: A 46 THR OG1 : rot 170:sc= -1.19 USER MOD Set 2.2: A 56 GLN : amide:sc= 0 X(o=-1.2,f=-1.3) USER MOD Set 3.1: A 43 LYS NZ :NH3+ 134:sc= 0.975 (180deg=-0.0517) USER MOD Set 3.2: A 44 THR OG1 : rot -163:sc= 0.455 USER MOD Single : A 3 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00379) USER MOD Single : A 5 LYS NZ :NH3+ -157:sc= -0.649 (180deg=-1.9!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.075) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.943 K(o=-0.94,f=-5.3!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -80:sc= 0.899 USER MOD Single : A 26 THR OG1 : rot -9:sc= 0.375 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 174:sc= 0.767 (180deg=0.717) USER MOD Single : A 40 SER OG : rot 35:sc= 0.0116 USER MOD Single : A 48 CYS SG : rot 180:sc=-0.00323 USER MOD Single : A 51 LYS NZ :NH3+ 140:sc= 0.021 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -3:sc= 0.775 USER MOD Single : A 54 GLN : amide:sc= -0.707 X(o=-0.71,f=-0.4) USER MOD Single : A 65 TYR OH : rot 30:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc=-0.00571 X(o=-0.0057,f=-0.33) USER MOD Single : A 81 TYR OH : rot -150:sc= 0.183 USER MOD Single : A 85 LYS NZ :NH3+ 178:sc= 0.554 (180deg=0.542) USER MOD Single : A 86 MET CE :methyl -135:sc= -1.66 (180deg=-6.88!) 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= 0.153 X(o=0.15,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.404 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 67:sc= 0.25 USER MOD Single : A 112 LYS NZ :NH3+ 167:sc= -0.0273 (180deg=-0.197) USER MOD Single : A 117 SER OG : rot 79:sc= 0.488 USER MOD Single : A 118 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 -1.636 18.575 -4.602 1.00 71.31 N ATOM 43 CA LYS A 3 -1.859 17.314 -3.826 1.00 72.22 C ATOM 44 C LYS A 3 -1.446 17.454 -2.337 1.00 72.23 C ATOM 45 O LYS A 3 -0.918 18.484 -1.908 1.00 3.32 O ATOM 46 CB LYS A 3 -1.162 16.074 -4.482 1.00 55.33 C ATOM 47 CG LYS A 3 -1.681 15.702 -5.887 1.00 62.13 C ATOM 48 CD LYS A 3 -3.138 15.190 -5.887 1.00 64.21 C ATOM 49 CE LYS A 3 -3.604 14.746 -7.285 1.00 11.24 C ATOM 50 NZ LYS A 3 -2.954 13.483 -7.721 1.00 13.11 N ATOM 0 HA LYS A 3 -2.934 17.138 -3.854 1.00 72.22 H new ATOM 0 HB2 LYS A 3 -0.092 16.270 -4.547 1.00 55.33 H new ATOM 0 HB3 LYS A 3 -1.290 15.214 -3.824 1.00 55.33 H new ATOM 0 HG2 LYS A 3 -1.611 16.575 -6.535 1.00 62.13 H new ATOM 0 HG3 LYS A 3 -1.034 14.935 -6.314 1.00 62.13 H new ATOM 0 HD2 LYS A 3 -3.226 14.353 -5.195 1.00 64.21 H new ATOM 0 HD3 LYS A 3 -3.797 15.977 -5.520 1.00 64.21 H new ATOM 0 HE2 LYS A 3 -4.686 14.612 -7.280 1.00 11.24 H new ATOM 0 HE3 LYS A 3 -3.384 15.533 -8.006 1.00 11.24 H new ATOM 0 HZ1 LYS A 3 -3.324 13.206 -8.653 1.00 13.11 H new ATOM 0 HZ2 LYS A 3 -1.926 13.626 -7.785 1.00 13.11 H new ATOM 0 HZ3 LYS A 3 -3.157 12.732 -7.031 1.00 13.11 H new ATOM 64 N GLU A 4 -1.709 16.403 -1.558 1.00 11.14 N ATOM 65 CA GLU A 4 -1.407 16.366 -0.116 1.00 13.32 C ATOM 66 C GLU A 4 -1.217 14.906 0.340 1.00 53.13 C ATOM 67 O GLU A 4 -1.938 14.008 -0.114 1.00 11.41 O ATOM 68 CB GLU A 4 -2.556 17.052 0.684 1.00 65.02 C ATOM 69 CG GLU A 4 -2.388 17.033 2.219 1.00 3.11 C ATOM 70 CD GLU A 4 -3.473 17.834 2.962 1.00 43.35 C ATOM 71 OE1 GLU A 4 -3.421 19.082 2.931 1.00 54.25 O ATOM 72 OE2 GLU A 4 -4.367 17.224 3.592 1.00 40.44 O ATOM 0 H GLU A 4 -2.140 15.547 -1.906 1.00 11.14 H new ATOM 0 HA GLU A 4 -0.482 16.911 0.075 1.00 13.32 H new ATOM 0 HB2 GLU A 4 -2.638 18.088 0.356 1.00 65.02 H new ATOM 0 HB3 GLU A 4 -3.496 16.562 0.431 1.00 65.02 H new ATOM 0 HG2 GLU A 4 -2.407 16.000 2.567 1.00 3.11 H new ATOM 0 HG3 GLU A 4 -1.409 17.437 2.475 1.00 3.11 H new ATOM 79 N LYS A 5 -0.236 14.678 1.228 1.00 11.55 N ATOM 80 CA LYS A 5 -0.003 13.354 1.821 1.00 42.43 C ATOM 81 C LYS A 5 -1.121 13.009 2.833 1.00 52.01 C ATOM 82 O LYS A 5 -1.416 13.793 3.743 1.00 73.40 O ATOM 83 CB LYS A 5 1.369 13.299 2.548 1.00 55.45 C ATOM 84 CG LYS A 5 1.723 11.890 3.130 1.00 44.01 C ATOM 85 CD LYS A 5 2.324 11.897 4.567 1.00 53.30 C ATOM 86 CE LYS A 5 1.320 12.277 5.676 1.00 50.34 C ATOM 87 NZ LYS A 5 0.895 13.703 5.645 1.00 60.44 N ATOM 0 H LYS A 5 0.410 15.398 1.551 1.00 11.55 H new ATOM 0 HA LYS A 5 -0.005 12.627 1.009 1.00 42.43 H new ATOM 0 HB2 LYS A 5 2.151 13.600 1.851 1.00 55.45 H new ATOM 0 HB3 LYS A 5 1.368 14.027 3.360 1.00 55.45 H new ATOM 0 HG2 LYS A 5 0.820 11.279 3.134 1.00 44.01 H new ATOM 0 HG3 LYS A 5 2.433 11.405 2.459 1.00 44.01 H new ATOM 0 HD2 LYS A 5 2.729 10.908 4.783 1.00 53.30 H new ATOM 0 HD3 LYS A 5 3.160 12.596 4.595 1.00 53.30 H new ATOM 0 HE2 LYS A 5 0.438 11.644 5.586 1.00 50.34 H new ATOM 0 HE3 LYS A 5 1.768 12.063 6.646 1.00 50.34 H new ATOM 0 HZ1 LYS A 5 0.559 13.986 6.588 1.00 60.44 H new ATOM 0 HZ2 LYS A 5 1.702 14.300 5.372 1.00 60.44 H new ATOM 0 HZ3 LYS A 5 0.127 13.821 4.954 1.00 60.44 H new ATOM 101 N ILE A 6 -1.699 11.816 2.678 1.00 53.53 N ATOM 102 CA ILE A 6 -2.678 11.239 3.616 1.00 74.51 C ATOM 103 C ILE A 6 -2.109 9.874 4.087 1.00 22.10 C ATOM 104 O ILE A 6 -1.854 8.963 3.284 1.00 14.35 O ATOM 105 CB ILE A 6 -4.118 11.103 2.963 1.00 71.12 C ATOM 106 CG1 ILE A 6 -4.105 10.130 1.746 1.00 53.11 C ATOM 107 CG2 ILE A 6 -4.673 12.498 2.552 1.00 51.13 C ATOM 108 CD1 ILE A 6 -5.388 10.038 0.960 1.00 72.02 C ATOM 0 H ILE A 6 -1.499 11.208 1.883 1.00 53.53 H new ATOM 0 HA ILE A 6 -2.820 11.899 4.472 1.00 74.51 H new ATOM 0 HB ILE A 6 -4.782 10.678 3.716 1.00 71.12 H new ATOM 0 HG12 ILE A 6 -3.308 10.438 1.069 1.00 53.11 H new ATOM 0 HG13 ILE A 6 -3.850 9.133 2.106 1.00 53.11 H new ATOM 0 HG21 ILE A 6 -5.661 12.380 2.107 1.00 51.13 H new ATOM 0 HG22 ILE A 6 -4.746 13.135 3.434 1.00 51.13 H new ATOM 0 HG23 ILE A 6 -4.001 12.958 1.827 1.00 51.13 H new ATOM 0 HD11 ILE A 6 -5.262 9.333 0.139 1.00 72.02 H new ATOM 0 HD12 ILE A 6 -6.191 9.695 1.613 1.00 72.02 H new ATOM 0 HD13 ILE A 6 -5.640 11.020 0.559 1.00 72.02 H new ATOM 120 N HIS A 7 -1.748 9.786 5.368 1.00 12.21 N ATOM 121 CA HIS A 7 -1.191 8.546 5.943 1.00 22.11 C ATOM 122 C HIS A 7 -2.320 7.690 6.558 1.00 75.31 C ATOM 123 O HIS A 7 -2.868 8.030 7.611 1.00 4.44 O ATOM 124 CB HIS A 7 -0.090 8.898 6.984 1.00 34.03 C ATOM 125 CG HIS A 7 0.996 7.859 7.124 1.00 54.45 C ATOM 126 ND1 HIS A 7 1.354 6.995 6.105 1.00 45.13 N ATOM 127 CD2 HIS A 7 1.842 7.591 8.143 1.00 62.32 C ATOM 128 CE1 HIS A 7 2.358 6.249 6.496 1.00 72.11 C ATOM 129 NE2 HIS A 7 2.674 6.585 7.728 1.00 73.00 N ATOM 0 H HIS A 7 -1.829 10.555 6.033 1.00 12.21 H new ATOM 0 HA HIS A 7 -0.726 7.952 5.156 1.00 22.11 H new ATOM 0 HB2 HIS A 7 0.367 9.847 6.704 1.00 34.03 H new ATOM 0 HB3 HIS A 7 -0.561 9.046 7.956 1.00 34.03 H new ATOM 0 HD2 HIS A 7 1.859 8.079 9.106 1.00 62.32 H new ATOM 0 HE1 HIS A 7 2.844 5.486 5.906 1.00 72.11 H new ATOM 0 HE2 HIS A 7 3.418 6.164 8.284 1.00 73.00 H new ATOM 138 N LEU A 8 -2.657 6.571 5.888 1.00 41.11 N ATOM 139 CA LEU A 8 -3.766 5.693 6.306 1.00 51.13 C ATOM 140 C LEU A 8 -3.200 4.510 7.135 1.00 21.24 C ATOM 141 O LEU A 8 -2.470 3.671 6.606 1.00 10.24 O ATOM 142 CB LEU A 8 -4.558 5.138 5.072 1.00 61.21 C ATOM 143 CG LEU A 8 -5.098 6.166 4.014 1.00 71.43 C ATOM 144 CD1 LEU A 8 -5.739 7.409 4.670 1.00 22.00 C ATOM 145 CD2 LEU A 8 -4.013 6.549 2.983 1.00 63.13 C ATOM 0 H LEU A 8 -2.173 6.253 5.049 1.00 41.11 H new ATOM 0 HA LEU A 8 -4.456 6.281 6.911 1.00 51.13 H new ATOM 0 HB2 LEU A 8 -3.911 4.433 4.551 1.00 61.21 H new ATOM 0 HB3 LEU A 8 -5.409 4.571 5.450 1.00 61.21 H new ATOM 0 HG LEU A 8 -5.896 5.662 3.469 1.00 71.43 H new ATOM 0 HD11 LEU A 8 -6.095 8.087 3.894 1.00 22.00 H new ATOM 0 HD12 LEU A 8 -6.577 7.099 5.295 1.00 22.00 H new ATOM 0 HD13 LEU A 8 -4.997 7.919 5.285 1.00 22.00 H new ATOM 0 HD21 LEU A 8 -4.425 7.261 2.269 1.00 63.13 H new ATOM 0 HD22 LEU A 8 -3.165 7.001 3.498 1.00 63.13 H new ATOM 0 HD23 LEU A 8 -3.682 5.655 2.454 1.00 63.13 H new ATOM 157 N GLU A 9 -3.552 4.453 8.429 1.00 64.33 N ATOM 158 CA GLU A 9 -3.050 3.429 9.377 1.00 54.31 C ATOM 159 C GLU A 9 -4.148 2.404 9.746 1.00 71.00 C ATOM 160 O GLU A 9 -5.191 2.762 10.297 1.00 61.33 O ATOM 161 CB GLU A 9 -2.503 4.118 10.652 1.00 42.30 C ATOM 162 CG GLU A 9 -1.324 5.082 10.399 1.00 61.21 C ATOM 163 CD GLU A 9 -0.812 5.755 11.682 1.00 63.53 C ATOM 164 OE1 GLU A 9 -0.222 5.058 12.533 1.00 54.20 O ATOM 165 OE2 GLU A 9 -1.006 6.978 11.851 1.00 62.33 O ATOM 0 H GLU A 9 -4.197 5.118 8.856 1.00 64.33 H new ATOM 0 HA GLU A 9 -2.245 2.881 8.888 1.00 54.31 H new ATOM 0 HB2 GLU A 9 -3.313 4.671 11.128 1.00 42.30 H new ATOM 0 HB3 GLU A 9 -2.184 3.350 11.357 1.00 42.30 H new ATOM 0 HG2 GLU A 9 -0.506 4.532 9.933 1.00 61.21 H new ATOM 0 HG3 GLU A 9 -1.636 5.851 9.692 1.00 61.21 H new ATOM 172 N TYR A 10 -3.881 1.125 9.453 1.00 24.14 N ATOM 173 CA TYR A 10 -4.824 0.006 9.662 1.00 40.11 C ATOM 174 C TYR A 10 -4.268 -0.974 10.724 1.00 61.11 C ATOM 175 O TYR A 10 -3.093 -1.351 10.669 1.00 62.43 O ATOM 176 CB TYR A 10 -5.055 -0.738 8.318 1.00 12.15 C ATOM 177 CG TYR A 10 -5.575 0.165 7.188 1.00 32.14 C ATOM 178 CD1 TYR A 10 -6.929 0.519 7.109 1.00 53.13 C ATOM 179 CD2 TYR A 10 -4.715 0.668 6.201 1.00 1.52 C ATOM 180 CE1 TYR A 10 -7.396 1.340 6.101 1.00 22.23 C ATOM 181 CE2 TYR A 10 -5.183 1.486 5.193 1.00 33.55 C ATOM 182 CZ TYR A 10 -6.525 1.818 5.145 1.00 31.13 C ATOM 183 OH TYR A 10 -6.992 2.644 4.144 1.00 12.45 O ATOM 0 H TYR A 10 -2.989 0.828 9.057 1.00 24.14 H new ATOM 0 HA TYR A 10 -5.773 0.403 10.021 1.00 40.11 H new ATOM 0 HB2 TYR A 10 -4.118 -1.196 8.002 1.00 12.15 H new ATOM 0 HB3 TYR A 10 -5.767 -1.548 8.480 1.00 12.15 H new ATOM 0 HD1 TYR A 10 -7.619 0.143 7.850 1.00 53.13 H new ATOM 0 HD2 TYR A 10 -3.667 0.410 6.230 1.00 1.52 H new ATOM 0 HE1 TYR A 10 -8.442 1.607 6.062 1.00 22.23 H new ATOM 0 HE2 TYR A 10 -4.504 1.866 4.444 1.00 33.55 H new ATOM 0 HH TYR A 10 -6.251 2.893 3.553 1.00 12.45 H new ATOM 193 N LEU A 11 -5.111 -1.384 11.690 1.00 54.45 N ATOM 194 CA LEU A 11 -4.705 -2.344 12.747 1.00 4.11 C ATOM 195 C LEU A 11 -4.998 -3.806 12.303 1.00 31.24 C ATOM 196 O LEU A 11 -6.151 -4.247 12.239 1.00 74.32 O ATOM 197 CB LEU A 11 -5.361 -2.017 14.139 1.00 71.24 C ATOM 198 CG LEU A 11 -6.934 -2.019 14.249 1.00 53.22 C ATOM 199 CD1 LEU A 11 -7.392 -2.165 15.717 1.00 21.33 C ATOM 200 CD2 LEU A 11 -7.564 -0.755 13.615 1.00 32.34 C ATOM 0 H LEU A 11 -6.078 -1.069 11.765 1.00 54.45 H new ATOM 0 HA LEU A 11 -3.629 -2.240 12.885 1.00 4.11 H new ATOM 0 HB2 LEU A 11 -4.977 -2.736 14.863 1.00 71.24 H new ATOM 0 HB3 LEU A 11 -5.008 -1.033 14.449 1.00 71.24 H new ATOM 0 HG LEU A 11 -7.286 -2.884 13.686 1.00 53.22 H new ATOM 0 HD11 LEU A 11 -8.481 -2.163 15.760 1.00 21.33 H new ATOM 0 HD12 LEU A 11 -7.014 -3.103 16.124 1.00 21.33 H new ATOM 0 HD13 LEU A 11 -7.004 -1.332 16.304 1.00 21.33 H new ATOM 0 HD21 LEU A 11 -8.649 -0.800 13.714 1.00 32.34 H new ATOM 0 HD22 LEU A 11 -7.190 0.133 14.125 1.00 32.34 H new ATOM 0 HD23 LEU A 11 -7.298 -0.706 12.559 1.00 32.34 H new ATOM 212 N LEU A 12 -3.929 -4.533 11.928 1.00 22.32 N ATOM 213 CA LEU A 12 -3.994 -5.974 11.570 1.00 60.32 C ATOM 214 C LEU A 12 -3.493 -6.845 12.737 1.00 1.12 C ATOM 215 O LEU A 12 -2.807 -6.360 13.633 1.00 74.42 O ATOM 216 CB LEU A 12 -3.182 -6.267 10.267 1.00 21.30 C ATOM 217 CG LEU A 12 -3.884 -5.893 8.920 1.00 43.14 C ATOM 218 CD1 LEU A 12 -5.232 -6.633 8.775 1.00 61.42 C ATOM 219 CD2 LEU A 12 -4.055 -4.369 8.756 1.00 54.33 C ATOM 0 H LEU A 12 -2.989 -4.142 11.863 1.00 22.32 H new ATOM 0 HA LEU A 12 -5.036 -6.228 11.376 1.00 60.32 H new ATOM 0 HB2 LEU A 12 -2.237 -5.727 10.323 1.00 21.30 H new ATOM 0 HB3 LEU A 12 -2.941 -7.330 10.245 1.00 21.30 H new ATOM 0 HG LEU A 12 -3.230 -6.223 8.112 1.00 43.14 H new ATOM 0 HD11 LEU A 12 -5.700 -6.356 7.830 1.00 61.42 H new ATOM 0 HD12 LEU A 12 -5.060 -7.709 8.792 1.00 61.42 H new ATOM 0 HD13 LEU A 12 -5.889 -6.357 9.600 1.00 61.42 H new ATOM 0 HD21 LEU A 12 -4.547 -4.158 7.806 1.00 54.33 H new ATOM 0 HD22 LEU A 12 -4.663 -3.981 9.573 1.00 54.33 H new ATOM 0 HD23 LEU A 12 -3.076 -3.889 8.772 1.00 54.33 H new ATOM 231 N ASN A 13 -3.837 -8.140 12.699 1.00 62.51 N ATOM 232 CA ASN A 13 -3.557 -9.081 13.808 1.00 21.42 C ATOM 233 C ASN A 13 -2.211 -9.836 13.627 1.00 72.44 C ATOM 234 O ASN A 13 -1.475 -9.606 12.661 1.00 5.20 O ATOM 235 CB ASN A 13 -4.734 -10.079 13.961 1.00 3.03 C ATOM 236 CG ASN A 13 -4.970 -10.899 12.700 1.00 43.34 C ATOM 237 OD1 ASN A 13 -4.401 -11.955 12.518 1.00 63.44 O ATOM 238 ND2 ASN A 13 -5.820 -10.422 11.823 1.00 44.24 N ATOM 0 H ASN A 13 -4.315 -8.569 11.906 1.00 62.51 H new ATOM 0 HA ASN A 13 -3.460 -8.493 14.720 1.00 21.42 H new ATOM 0 HB2 ASN A 13 -4.530 -10.751 14.795 1.00 3.03 H new ATOM 0 HB3 ASN A 13 -5.642 -9.530 14.209 1.00 3.03 H new ATOM 0 HD21 ASN A 13 -6.014 -10.941 10.967 1.00 44.24 H new ATOM 0 HD22 ASN A 13 -6.287 -9.532 11.997 1.00 44.24 H new ATOM 280 N LYS A 17 0.128 -10.939 8.764 1.00 50.11 N ATOM 281 CA LYS A 17 1.520 -10.462 8.861 1.00 53.34 C ATOM 282 C LYS A 17 1.949 -9.619 7.639 1.00 64.11 C ATOM 283 O LYS A 17 1.125 -9.206 6.835 1.00 52.42 O ATOM 284 CB LYS A 17 2.467 -11.673 9.064 1.00 5.32 C ATOM 285 CG LYS A 17 2.145 -12.520 10.310 1.00 5.42 C ATOM 286 CD LYS A 17 3.209 -13.597 10.594 1.00 1.12 C ATOM 287 CE LYS A 17 4.589 -12.995 10.935 1.00 3.42 C ATOM 288 NZ LYS A 17 5.607 -14.035 11.211 1.00 41.14 N ATOM 0 HA LYS A 17 1.586 -9.798 9.723 1.00 53.34 H new ATOM 0 HB2 LYS A 17 2.418 -12.311 8.181 1.00 5.32 H new ATOM 0 HB3 LYS A 17 3.492 -11.311 9.139 1.00 5.32 H new ATOM 0 HG2 LYS A 17 2.059 -11.864 11.176 1.00 5.42 H new ATOM 0 HG3 LYS A 17 1.176 -13.000 10.176 1.00 5.42 H new ATOM 0 HD2 LYS A 17 2.875 -14.222 11.422 1.00 1.12 H new ATOM 0 HD3 LYS A 17 3.305 -14.246 9.723 1.00 1.12 H new ATOM 0 HE2 LYS A 17 4.925 -12.372 10.106 1.00 3.42 H new ATOM 0 HE3 LYS A 17 4.494 -12.344 11.804 1.00 3.42 H new ATOM 0 HZ1 LYS A 17 6.515 -13.581 11.435 1.00 41.14 H new ATOM 0 HZ2 LYS A 17 5.301 -14.614 12.019 1.00 41.14 H new ATOM 0 HZ3 LYS A 17 5.720 -14.641 10.374 1.00 41.14 H new ATOM 302 N ASN A 18 3.263 -9.369 7.526 1.00 64.41 N ATOM 303 CA ASN A 18 3.864 -8.519 6.472 1.00 24.31 C ATOM 304 C ASN A 18 3.532 -8.967 5.020 1.00 72.12 C ATOM 305 O ASN A 18 3.448 -8.125 4.130 1.00 62.22 O ATOM 306 CB ASN A 18 5.398 -8.415 6.678 1.00 14.41 C ATOM 307 CG ASN A 18 6.142 -9.758 6.715 1.00 53.52 C ATOM 308 OD1 ASN A 18 5.605 -10.775 7.139 1.00 24.33 O ATOM 309 ND2 ASN A 18 7.391 -9.764 6.289 1.00 53.14 N ATOM 0 H ASN A 18 3.953 -9.755 8.171 1.00 64.41 H new ATOM 0 HA ASN A 18 3.407 -7.536 6.582 1.00 24.31 H new ATOM 0 HB2 ASN A 18 5.816 -7.807 5.876 1.00 14.41 H new ATOM 0 HB3 ASN A 18 5.589 -7.886 7.612 1.00 14.41 H new ATOM 0 HD21 ASN A 18 7.932 -10.628 6.308 1.00 53.14 H new ATOM 0 HD22 ASN A 18 7.815 -8.904 5.941 1.00 53.14 H new ATOM 316 N ILE A 19 3.318 -10.282 4.815 1.00 72.52 N ATOM 317 CA ILE A 19 3.083 -10.886 3.471 1.00 21.40 C ATOM 318 C ILE A 19 1.897 -10.199 2.708 1.00 24.40 C ATOM 319 O ILE A 19 1.918 -10.136 1.473 1.00 53.44 O ATOM 320 CB ILE A 19 2.851 -12.467 3.542 1.00 61.23 C ATOM 321 CG1 ILE A 19 4.048 -13.229 4.242 1.00 4.43 C ATOM 322 CG2 ILE A 19 2.604 -13.064 2.127 1.00 51.22 C ATOM 323 CD1 ILE A 19 4.015 -13.250 5.760 1.00 0.15 C ATOM 0 H ILE A 19 3.302 -10.964 5.573 1.00 72.52 H new ATOM 0 HA ILE A 19 3.998 -10.707 2.907 1.00 21.40 H new ATOM 0 HB ILE A 19 1.962 -12.614 4.155 1.00 61.23 H new ATOM 0 HG12 ILE A 19 4.060 -14.258 3.883 1.00 4.43 H new ATOM 0 HG13 ILE A 19 4.984 -12.769 3.923 1.00 4.43 H new ATOM 0 HG21 ILE A 19 2.450 -14.140 2.208 1.00 51.22 H new ATOM 0 HG22 ILE A 19 1.720 -12.603 1.687 1.00 51.22 H new ATOM 0 HG23 ILE A 19 3.469 -12.868 1.493 1.00 51.22 H new ATOM 0 HD11 ILE A 19 4.880 -13.797 6.135 1.00 0.15 H new ATOM 0 HD12 ILE A 19 4.040 -12.228 6.139 1.00 0.15 H new ATOM 0 HD13 ILE A 19 3.102 -13.740 6.097 1.00 0.15 H new ATOM 335 N LEU A 20 0.917 -9.638 3.473 1.00 71.10 N ATOM 336 CA LEU A 20 -0.302 -8.951 2.932 1.00 41.31 C ATOM 337 C LEU A 20 0.026 -7.993 1.753 1.00 21.22 C ATOM 338 O LEU A 20 -0.395 -8.220 0.614 1.00 21.05 O ATOM 339 CB LEU A 20 -0.986 -8.132 4.069 1.00 34.22 C ATOM 340 CG LEU A 20 -1.532 -8.936 5.289 1.00 34.31 C ATOM 341 CD1 LEU A 20 -1.918 -7.980 6.441 1.00 42.34 C ATOM 342 CD2 LEU A 20 -2.713 -9.855 4.889 1.00 64.14 C ATOM 0 H LEU A 20 0.948 -9.648 4.492 1.00 71.10 H new ATOM 0 HA LEU A 20 -0.967 -9.728 2.556 1.00 41.31 H new ATOM 0 HB2 LEU A 20 -0.268 -7.401 4.439 1.00 34.22 H new ATOM 0 HB3 LEU A 20 -1.814 -7.573 3.633 1.00 34.22 H new ATOM 0 HG LEU A 20 -0.734 -9.588 5.645 1.00 34.31 H new ATOM 0 HD11 LEU A 20 -2.297 -8.559 7.283 1.00 42.34 H new ATOM 0 HD12 LEU A 20 -1.040 -7.415 6.755 1.00 42.34 H new ATOM 0 HD13 LEU A 20 -2.690 -7.291 6.099 1.00 42.34 H new ATOM 0 HD21 LEU A 20 -3.065 -10.398 5.766 1.00 64.14 H new ATOM 0 HD22 LEU A 20 -3.525 -9.249 4.487 1.00 64.14 H new ATOM 0 HD23 LEU A 20 -2.381 -10.565 4.132 1.00 64.14 H new ATOM 354 N TRP A 21 0.801 -6.935 2.048 1.00 12.23 N ATOM 355 CA TRP A 21 1.245 -5.955 1.038 1.00 43.41 C ATOM 356 C TRP A 21 2.680 -6.221 0.562 1.00 71.32 C ATOM 357 O TRP A 21 3.038 -5.769 -0.499 1.00 62.42 O ATOM 358 CB TRP A 21 1.138 -4.515 1.574 1.00 35.12 C ATOM 359 CG TRP A 21 -0.273 -3.985 1.716 1.00 32.34 C ATOM 360 CD1 TRP A 21 -1.155 -4.214 2.734 1.00 73.41 C ATOM 361 CD2 TRP A 21 -0.939 -3.098 0.802 1.00 23.32 C ATOM 362 NE1 TRP A 21 -2.314 -3.513 2.516 1.00 13.14 N ATOM 363 CE2 TRP A 21 -2.211 -2.830 1.332 1.00 63.41 C ATOM 364 CE3 TRP A 21 -0.575 -2.515 -0.415 1.00 53.33 C ATOM 365 CZ2 TRP A 21 -3.121 -1.990 0.695 1.00 22.01 C ATOM 366 CZ3 TRP A 21 -1.475 -1.681 -1.051 1.00 61.13 C ATOM 367 CH2 TRP A 21 -2.737 -1.426 -0.496 1.00 21.51 C ATOM 0 H TRP A 21 1.137 -6.734 2.990 1.00 12.23 H new ATOM 0 HA TRP A 21 0.578 -6.070 0.184 1.00 43.41 H new ATOM 0 HB2 TRP A 21 1.626 -4.469 2.547 1.00 35.12 H new ATOM 0 HB3 TRP A 21 1.692 -3.854 0.908 1.00 35.12 H new ATOM 0 HD1 TRP A 21 -0.968 -4.853 3.585 1.00 73.41 H new ATOM 0 HE1 TRP A 21 -3.124 -3.502 3.136 1.00 13.14 H new ATOM 0 HE3 TRP A 21 0.393 -2.713 -0.851 1.00 53.33 H new ATOM 0 HZ2 TRP A 21 -4.093 -1.790 1.122 1.00 22.01 H new ATOM 0 HZ3 TRP A 21 -1.202 -1.219 -1.989 1.00 61.13 H new ATOM 0 HH2 TRP A 21 -3.421 -0.772 -1.016 1.00 21.51 H new ATOM 378 N SER A 22 3.514 -6.938 1.349 1.00 41.22 N ATOM 379 CA SER A 22 4.919 -7.261 0.926 1.00 3.33 C ATOM 380 C SER A 22 4.949 -8.139 -0.360 1.00 64.32 C ATOM 381 O SER A 22 5.965 -8.214 -1.052 1.00 25.55 O ATOM 382 CB SER A 22 5.710 -7.941 2.070 1.00 14.01 C ATOM 383 OG SER A 22 7.080 -8.105 1.741 1.00 64.04 O ATOM 0 H SER A 22 3.256 -7.303 2.266 1.00 41.22 H new ATOM 0 HA SER A 22 5.406 -6.314 0.692 1.00 3.33 H new ATOM 0 HB2 SER A 22 5.624 -7.342 2.977 1.00 14.01 H new ATOM 0 HB3 SER A 22 5.270 -8.914 2.287 1.00 14.01 H new ATOM 0 HG SER A 22 7.546 -8.536 2.488 1.00 64.04 H new ATOM 389 N ALA A 23 3.798 -8.772 -0.668 1.00 53.22 N ATOM 390 CA ALA A 23 3.576 -9.551 -1.909 1.00 60.55 C ATOM 391 C ALA A 23 3.697 -8.691 -3.199 1.00 43.11 C ATOM 392 O ALA A 23 3.961 -9.230 -4.278 1.00 24.02 O ATOM 393 CB ALA A 23 2.188 -10.205 -1.835 1.00 73.23 C ATOM 0 H ALA A 23 2.984 -8.758 -0.054 1.00 53.22 H new ATOM 0 HA ALA A 23 4.359 -10.307 -1.974 1.00 60.55 H new ATOM 0 HB1 ALA A 23 2.009 -10.783 -2.742 1.00 73.23 H new ATOM 0 HB2 ALA A 23 2.143 -10.866 -0.969 1.00 73.23 H new ATOM 0 HB3 ALA A 23 1.426 -9.431 -1.741 1.00 73.23 H new ATOM 399 N ILE A 24 3.518 -7.350 -3.074 1.00 23.43 N ATOM 400 CA ILE A 24 3.559 -6.412 -4.234 1.00 42.54 C ATOM 401 C ILE A 24 4.984 -6.284 -4.839 1.00 1.24 C ATOM 402 O ILE A 24 5.140 -5.853 -5.989 1.00 5.53 O ATOM 403 CB ILE A 24 2.985 -4.979 -3.867 1.00 44.31 C ATOM 404 CG1 ILE A 24 3.930 -4.205 -2.886 1.00 71.32 C ATOM 405 CG2 ILE A 24 1.547 -5.105 -3.296 1.00 50.44 C ATOM 406 CD1 ILE A 24 3.352 -2.926 -2.290 1.00 54.30 C ATOM 0 H ILE A 24 3.343 -6.890 -2.180 1.00 23.43 H new ATOM 0 HA ILE A 24 2.911 -6.850 -4.993 1.00 42.54 H new ATOM 0 HB ILE A 24 2.939 -4.390 -4.783 1.00 44.31 H new ATOM 0 HG12 ILE A 24 4.204 -4.874 -2.070 1.00 71.32 H new ATOM 0 HG13 ILE A 24 4.849 -3.955 -3.416 1.00 71.32 H new ATOM 0 HG21 ILE A 24 1.166 -4.114 -3.049 1.00 50.44 H new ATOM 0 HG22 ILE A 24 0.899 -5.568 -4.041 1.00 50.44 H new ATOM 0 HG23 ILE A 24 1.565 -5.722 -2.397 1.00 50.44 H new ATOM 0 HD11 ILE A 24 4.086 -2.469 -1.627 1.00 54.30 H new ATOM 0 HD12 ILE A 24 3.105 -2.230 -3.092 1.00 54.30 H new ATOM 0 HD13 ILE A 24 2.450 -3.163 -1.725 1.00 54.30 H new ATOM 418 N SER A 25 6.009 -6.670 -4.051 1.00 14.14 N ATOM 419 CA SER A 25 7.424 -6.685 -4.500 1.00 24.01 C ATOM 420 C SER A 25 7.659 -7.787 -5.555 1.00 12.33 C ATOM 421 O SER A 25 8.319 -7.563 -6.578 1.00 23.43 O ATOM 422 CB SER A 25 8.369 -6.915 -3.292 1.00 53.04 C ATOM 423 OG SER A 25 8.231 -8.223 -2.751 1.00 20.31 O ATOM 0 H SER A 25 5.884 -6.980 -3.087 1.00 14.14 H new ATOM 0 HA SER A 25 7.642 -5.717 -4.952 1.00 24.01 H new ATOM 0 HB2 SER A 25 9.402 -6.759 -3.604 1.00 53.04 H new ATOM 0 HB3 SER A 25 8.155 -6.178 -2.518 1.00 53.04 H new ATOM 0 HG SER A 25 7.444 -8.255 -2.168 1.00 20.31 H new ATOM 429 N THR A 26 7.121 -8.988 -5.273 1.00 1.53 N ATOM 430 CA THR A 26 7.214 -10.148 -6.178 1.00 35.12 C ATOM 431 C THR A 26 6.144 -10.087 -7.283 1.00 53.15 C ATOM 432 O THR A 26 5.030 -9.609 -7.032 1.00 45.44 O ATOM 433 CB THR A 26 7.053 -11.505 -5.413 1.00 74.30 C ATOM 434 OG1 THR A 26 5.792 -11.556 -4.710 1.00 43.13 O ATOM 435 CG2 THR A 26 8.212 -11.730 -4.432 1.00 21.01 C ATOM 0 H THR A 26 6.610 -9.181 -4.412 1.00 1.53 H new ATOM 0 HA THR A 26 8.208 -10.102 -6.622 1.00 35.12 H new ATOM 0 HB THR A 26 7.071 -12.303 -6.156 1.00 74.30 H new ATOM 0 HG1 THR A 26 5.362 -10.676 -4.745 1.00 43.13 H new ATOM 0 HG21 THR A 26 8.073 -12.680 -3.916 1.00 21.01 H new ATOM 0 HG22 THR A 26 9.154 -11.750 -4.980 1.00 21.01 H new ATOM 0 HG23 THR A 26 8.234 -10.920 -3.703 1.00 21.01 H new ATOM 443 N PRO A 27 6.472 -10.568 -8.529 1.00 51.22 N ATOM 444 CA PRO A 27 5.478 -10.737 -9.617 1.00 52.21 C ATOM 445 C PRO A 27 4.256 -11.583 -9.163 1.00 62.11 C ATOM 446 O PRO A 27 3.138 -11.085 -9.136 1.00 12.30 O ATOM 447 CB PRO A 27 6.289 -11.445 -10.752 1.00 44.41 C ATOM 448 CG PRO A 27 7.532 -11.948 -10.074 1.00 34.02 C ATOM 449 CD PRO A 27 7.831 -10.948 -8.995 1.00 11.12 C ATOM 0 HA PRO A 27 5.046 -9.789 -9.939 1.00 52.21 H new ATOM 0 HB2 PRO A 27 5.720 -12.263 -11.194 1.00 44.41 H new ATOM 0 HB3 PRO A 27 6.530 -10.752 -11.558 1.00 44.41 H new ATOM 0 HG2 PRO A 27 7.376 -12.942 -9.656 1.00 34.02 H new ATOM 0 HG3 PRO A 27 8.360 -12.025 -10.779 1.00 34.02 H new ATOM 0 HD2 PRO A 27 8.429 -11.381 -8.193 1.00 11.12 H new ATOM 0 HD3 PRO A 27 8.384 -10.090 -9.378 1.00 11.12 H new ATOM 457 N THR A 28 4.515 -12.846 -8.761 1.00 10.23 N ATOM 458 CA THR A 28 3.473 -13.833 -8.367 1.00 31.40 C ATOM 459 C THR A 28 2.524 -13.320 -7.250 1.00 42.01 C ATOM 460 O THR A 28 1.298 -13.494 -7.336 1.00 42.13 O ATOM 461 CB THR A 28 4.145 -15.165 -7.900 1.00 1.34 C ATOM 462 OG1 THR A 28 5.008 -14.904 -6.775 1.00 61.54 O ATOM 463 CG2 THR A 28 4.967 -15.824 -9.029 1.00 34.21 C ATOM 0 H THR A 28 5.463 -13.218 -8.698 1.00 10.23 H new ATOM 0 HA THR A 28 2.862 -14.000 -9.254 1.00 31.40 H new ATOM 0 HB THR A 28 3.349 -15.854 -7.617 1.00 1.34 H new ATOM 0 HG1 THR A 28 5.427 -15.741 -6.483 1.00 61.54 H new ATOM 0 HG21 THR A 28 5.416 -16.746 -8.661 1.00 34.21 H new ATOM 0 HG22 THR A 28 4.313 -16.050 -9.871 1.00 34.21 H new ATOM 0 HG23 THR A 28 5.753 -15.142 -9.353 1.00 34.21 H new ATOM 471 N GLY A 29 3.106 -12.686 -6.215 1.00 40.54 N ATOM 472 CA GLY A 29 2.328 -12.142 -5.086 1.00 21.13 C ATOM 473 C GLY A 29 1.452 -10.942 -5.468 1.00 31.44 C ATOM 474 O GLY A 29 0.347 -10.771 -4.943 1.00 25.52 O ATOM 0 H GLY A 29 4.112 -12.538 -6.137 1.00 40.54 H new ATOM 0 HA2 GLY A 29 1.694 -12.930 -4.679 1.00 21.13 H new ATOM 0 HA3 GLY A 29 3.014 -11.843 -4.293 1.00 21.13 H new ATOM 478 N LEU A 30 1.973 -10.103 -6.373 1.00 13.54 N ATOM 479 CA LEU A 30 1.236 -8.949 -6.935 1.00 33.03 C ATOM 480 C LEU A 30 0.058 -9.424 -7.835 1.00 74.51 C ATOM 481 O LEU A 30 -1.053 -8.914 -7.734 1.00 31.44 O ATOM 482 CB LEU A 30 2.226 -8.060 -7.732 1.00 52.13 C ATOM 483 CG LEU A 30 1.724 -6.661 -8.189 1.00 33.11 C ATOM 484 CD1 LEU A 30 1.250 -5.805 -7.001 1.00 20.14 C ATOM 485 CD2 LEU A 30 2.823 -5.931 -8.987 1.00 62.23 C ATOM 0 H LEU A 30 2.919 -10.200 -6.741 1.00 13.54 H new ATOM 0 HA LEU A 30 0.803 -8.365 -6.123 1.00 33.03 H new ATOM 0 HB2 LEU A 30 3.116 -7.915 -7.120 1.00 52.13 H new ATOM 0 HB3 LEU A 30 2.536 -8.613 -8.619 1.00 52.13 H new ATOM 0 HG LEU A 30 0.862 -6.815 -8.838 1.00 33.11 H new ATOM 0 HD11 LEU A 30 0.908 -4.836 -7.364 1.00 20.14 H new ATOM 0 HD12 LEU A 30 0.430 -6.312 -6.492 1.00 20.14 H new ATOM 0 HD13 LEU A 30 2.076 -5.660 -6.305 1.00 20.14 H new ATOM 0 HD21 LEU A 30 2.457 -4.953 -9.300 1.00 62.23 H new ATOM 0 HD22 LEU A 30 3.705 -5.804 -8.359 1.00 62.23 H new ATOM 0 HD23 LEU A 30 3.085 -6.519 -9.867 1.00 62.23 H new ATOM 497 N GLU A 31 0.317 -10.460 -8.666 1.00 41.51 N ATOM 498 CA GLU A 31 -0.682 -11.069 -9.602 1.00 51.00 C ATOM 499 C GLU A 31 -1.852 -11.772 -8.871 1.00 52.34 C ATOM 500 O GLU A 31 -2.837 -12.165 -9.506 1.00 63.23 O ATOM 501 CB GLU A 31 0.023 -12.086 -10.542 1.00 54.23 C ATOM 502 CG GLU A 31 1.045 -11.451 -11.485 1.00 14.41 C ATOM 503 CD GLU A 31 1.874 -12.474 -12.282 1.00 42.11 C ATOM 504 OE1 GLU A 31 2.856 -13.016 -11.738 1.00 11.40 O ATOM 505 OE2 GLU A 31 1.544 -12.743 -13.453 1.00 34.14 O ATOM 0 H GLU A 31 1.232 -10.908 -8.713 1.00 41.51 H new ATOM 0 HA GLU A 31 -1.109 -10.248 -10.178 1.00 51.00 H new ATOM 0 HB2 GLU A 31 0.523 -12.841 -9.935 1.00 54.23 H new ATOM 0 HB3 GLU A 31 -0.732 -12.602 -11.135 1.00 54.23 H new ATOM 0 HG2 GLU A 31 0.524 -10.797 -12.184 1.00 14.41 H new ATOM 0 HG3 GLU A 31 1.721 -10.823 -10.904 1.00 14.41 H new ATOM 512 N ASP A 32 -1.719 -11.955 -7.551 1.00 44.32 N ATOM 513 CA ASP A 32 -2.790 -12.501 -6.702 1.00 73.40 C ATOM 514 C ASP A 32 -4.021 -11.548 -6.662 1.00 51.55 C ATOM 515 O ASP A 32 -5.174 -12.004 -6.694 1.00 24.14 O ATOM 516 CB ASP A 32 -2.229 -12.750 -5.277 1.00 24.12 C ATOM 517 CG ASP A 32 -3.257 -13.375 -4.315 1.00 62.14 C ATOM 518 OD1 ASP A 32 -3.353 -14.621 -4.260 1.00 31.50 O ATOM 519 OD2 ASP A 32 -3.982 -12.624 -3.627 1.00 1.14 O ATOM 0 H ASP A 32 -0.866 -11.729 -7.040 1.00 44.32 H new ATOM 0 HA ASP A 32 -3.133 -13.446 -7.124 1.00 73.40 H new ATOM 0 HB2 ASP A 32 -1.361 -13.406 -5.346 1.00 24.12 H new ATOM 0 HB3 ASP A 32 -1.881 -11.804 -4.861 1.00 24.12 H new ATOM 524 N TRP A 33 -3.761 -10.223 -6.625 1.00 60.52 N ATOM 525 CA TRP A 33 -4.812 -9.205 -6.353 1.00 70.15 C ATOM 526 C TRP A 33 -4.561 -7.846 -7.071 1.00 52.35 C ATOM 527 O TRP A 33 -5.231 -6.851 -6.768 1.00 70.30 O ATOM 528 CB TRP A 33 -4.923 -9.004 -4.814 1.00 73.42 C ATOM 529 CG TRP A 33 -3.670 -8.458 -4.150 1.00 20.44 C ATOM 530 CD1 TRP A 33 -2.421 -9.035 -4.107 1.00 14.34 C ATOM 531 CD2 TRP A 33 -3.562 -7.239 -3.406 1.00 34.11 C ATOM 532 NE1 TRP A 33 -1.555 -8.237 -3.409 1.00 31.14 N ATOM 533 CE2 TRP A 33 -2.233 -7.134 -2.958 1.00 4.22 C ATOM 534 CE3 TRP A 33 -4.469 -6.225 -3.081 1.00 43.34 C ATOM 535 CZ2 TRP A 33 -1.790 -6.055 -2.201 1.00 62.22 C ATOM 536 CZ3 TRP A 33 -4.030 -5.157 -2.328 1.00 30.11 C ATOM 537 CH2 TRP A 33 -2.699 -5.079 -1.897 1.00 12.03 C ATOM 0 H TRP A 33 -2.833 -9.828 -6.780 1.00 60.52 H new ATOM 0 HA TRP A 33 -5.751 -9.580 -6.760 1.00 70.15 H new ATOM 0 HB2 TRP A 33 -5.751 -8.325 -4.609 1.00 73.42 H new ATOM 0 HB3 TRP A 33 -5.174 -9.960 -4.354 1.00 73.42 H new ATOM 0 HD1 TRP A 33 -2.162 -9.981 -4.559 1.00 14.34 H new ATOM 0 HE1 TRP A 33 -0.566 -8.431 -3.250 1.00 31.14 H new ATOM 0 HE3 TRP A 33 -5.495 -6.278 -3.414 1.00 43.34 H new ATOM 0 HZ2 TRP A 33 -0.766 -5.990 -1.865 1.00 62.22 H new ATOM 0 HZ3 TRP A 33 -4.721 -4.370 -2.067 1.00 30.11 H new ATOM 0 HH2 TRP A 33 -2.383 -4.228 -1.311 1.00 12.03 H new ATOM 548 N PHE A 34 -3.622 -7.811 -8.032 1.00 63.25 N ATOM 549 CA PHE A 34 -3.294 -6.583 -8.811 1.00 63.05 C ATOM 550 C PHE A 34 -3.035 -6.958 -10.283 1.00 53.14 C ATOM 551 O PHE A 34 -2.244 -7.874 -10.554 1.00 13.50 O ATOM 552 CB PHE A 34 -2.043 -5.882 -8.218 1.00 12.55 C ATOM 553 CG PHE A 34 -1.794 -4.450 -8.724 1.00 65.23 C ATOM 554 CD1 PHE A 34 -2.375 -3.354 -8.083 1.00 42.02 C ATOM 555 CD2 PHE A 34 -0.969 -4.194 -9.829 1.00 55.21 C ATOM 556 CE1 PHE A 34 -2.150 -2.063 -8.529 1.00 3.21 C ATOM 557 CE2 PHE A 34 -0.750 -2.900 -10.271 1.00 61.10 C ATOM 558 CZ PHE A 34 -1.335 -1.836 -9.621 1.00 0.13 C ATOM 0 H PHE A 34 -3.066 -8.624 -8.297 1.00 63.25 H new ATOM 0 HA PHE A 34 -4.137 -5.895 -8.754 1.00 63.05 H new ATOM 0 HB2 PHE A 34 -2.141 -5.855 -7.133 1.00 12.55 H new ATOM 0 HB3 PHE A 34 -1.165 -6.488 -8.444 1.00 12.55 H new ATOM 0 HD1 PHE A 34 -3.011 -3.516 -7.225 1.00 42.02 H new ATOM 0 HD2 PHE A 34 -0.497 -5.019 -10.343 1.00 55.21 H new ATOM 0 HE1 PHE A 34 -2.613 -1.230 -8.021 1.00 3.21 H new ATOM 0 HE2 PHE A 34 -0.118 -2.724 -11.129 1.00 61.10 H new ATOM 0 HZ PHE A 34 -1.157 -0.827 -9.964 1.00 0.13 H new ATOM 568 N ALA A 35 -3.703 -6.236 -11.216 1.00 53.21 N ATOM 569 CA ALA A 35 -3.599 -6.464 -12.679 1.00 23.33 C ATOM 570 C ALA A 35 -4.058 -7.891 -13.091 1.00 34.12 C ATOM 571 O ALA A 35 -4.598 -8.645 -12.274 1.00 2.44 O ATOM 572 CB ALA A 35 -2.169 -6.146 -13.186 1.00 73.10 C ATOM 0 H ALA A 35 -4.334 -5.473 -10.972 1.00 53.21 H new ATOM 0 HA ALA A 35 -4.288 -5.773 -13.165 1.00 23.33 H new ATOM 0 HB1 ALA A 35 -2.117 -6.320 -14.261 1.00 73.10 H new ATOM 0 HB2 ALA A 35 -1.932 -5.103 -12.976 1.00 73.10 H new ATOM 0 HB3 ALA A 35 -1.451 -6.791 -12.679 1.00 73.10 H new ATOM 578 N ASP A 36 -3.895 -8.223 -14.376 1.00 61.13 N ATOM 579 CA ASP A 36 -4.139 -9.586 -14.904 1.00 1.31 C ATOM 580 C ASP A 36 -2.847 -10.432 -14.842 1.00 55.42 C ATOM 581 O ASP A 36 -2.853 -11.573 -14.365 1.00 54.34 O ATOM 582 CB ASP A 36 -4.665 -9.500 -16.357 1.00 75.33 C ATOM 583 CG ASP A 36 -6.088 -8.924 -16.435 1.00 24.22 C ATOM 584 OD1 ASP A 36 -6.264 -7.711 -16.205 1.00 5.23 O ATOM 585 OD2 ASP A 36 -7.035 -9.682 -16.706 1.00 42.45 O ATOM 0 H ASP A 36 -3.590 -7.559 -15.087 1.00 61.13 H new ATOM 0 HA ASP A 36 -4.892 -10.074 -14.286 1.00 1.31 H new ATOM 0 HB2 ASP A 36 -3.992 -8.878 -16.947 1.00 75.33 H new ATOM 0 HB3 ASP A 36 -4.654 -10.494 -16.803 1.00 75.33 H new ATOM 590 N LYS A 37 -1.743 -9.847 -15.329 1.00 11.13 N ATOM 591 CA LYS A 37 -0.415 -10.495 -15.342 1.00 60.24 C ATOM 592 C LYS A 37 0.667 -9.408 -15.275 1.00 2.04 C ATOM 593 O LYS A 37 0.676 -8.507 -16.098 1.00 42.21 O ATOM 594 CB LYS A 37 -0.265 -11.371 -16.634 1.00 42.23 C ATOM 595 CG LYS A 37 0.941 -12.355 -16.656 1.00 34.32 C ATOM 596 CD LYS A 37 2.299 -11.703 -17.039 1.00 33.52 C ATOM 597 CE LYS A 37 3.496 -12.645 -16.818 1.00 3.23 C ATOM 598 NZ LYS A 37 3.696 -12.960 -15.375 1.00 11.52 N ATOM 0 H LYS A 37 -1.742 -8.908 -15.727 1.00 11.13 H new ATOM 0 HA LYS A 37 -0.305 -11.152 -14.479 1.00 60.24 H new ATOM 0 HB2 LYS A 37 -1.181 -11.947 -16.766 1.00 42.23 H new ATOM 0 HB3 LYS A 37 -0.180 -10.705 -17.493 1.00 42.23 H new ATOM 0 HG2 LYS A 37 1.037 -12.813 -15.672 1.00 34.32 H new ATOM 0 HG3 LYS A 37 0.726 -13.157 -17.362 1.00 34.32 H new ATOM 0 HD2 LYS A 37 2.269 -11.400 -18.086 1.00 33.52 H new ATOM 0 HD3 LYS A 37 2.441 -10.797 -16.449 1.00 33.52 H new ATOM 0 HE2 LYS A 37 3.338 -13.570 -17.373 1.00 3.23 H new ATOM 0 HE3 LYS A 37 4.399 -12.184 -17.218 1.00 3.23 H new ATOM 0 HZ1 LYS A 37 4.445 -13.675 -15.276 1.00 11.52 H new ATOM 0 HZ2 LYS A 37 3.972 -12.096 -14.866 1.00 11.52 H new ATOM 0 HZ3 LYS A 37 2.810 -13.329 -14.974 1.00 11.52 H new ATOM 612 N VAL A 38 1.596 -9.498 -14.309 1.00 21.35 N ATOM 613 CA VAL A 38 2.709 -8.526 -14.191 1.00 63.12 C ATOM 614 C VAL A 38 4.049 -9.206 -14.571 1.00 63.11 C ATOM 615 O VAL A 38 4.351 -10.328 -14.145 1.00 33.21 O ATOM 616 CB VAL A 38 2.779 -7.832 -12.766 1.00 71.33 C ATOM 617 CG1 VAL A 38 1.385 -7.313 -12.330 1.00 42.25 C ATOM 618 CG2 VAL A 38 3.397 -8.732 -11.679 1.00 24.25 C ATOM 0 H VAL A 38 1.603 -10.229 -13.598 1.00 21.35 H new ATOM 0 HA VAL A 38 2.515 -7.718 -14.896 1.00 63.12 H new ATOM 0 HB VAL A 38 3.451 -6.981 -12.876 1.00 71.33 H new ATOM 0 HG11 VAL A 38 1.462 -6.842 -11.350 1.00 42.25 H new ATOM 0 HG12 VAL A 38 1.025 -6.584 -13.056 1.00 42.25 H new ATOM 0 HG13 VAL A 38 0.686 -8.148 -12.277 1.00 42.25 H new ATOM 0 HG21 VAL A 38 3.415 -8.196 -10.730 1.00 24.25 H new ATOM 0 HG22 VAL A 38 2.800 -9.638 -11.574 1.00 24.25 H new ATOM 0 HG23 VAL A 38 4.415 -9.000 -11.963 1.00 24.25 H new ATOM 628 N VAL A 39 4.805 -8.535 -15.444 1.00 43.15 N ATOM 629 CA VAL A 39 6.127 -8.991 -15.913 1.00 41.44 C ATOM 630 C VAL A 39 7.234 -8.297 -15.090 1.00 71.23 C ATOM 631 O VAL A 39 7.113 -7.119 -14.749 1.00 64.44 O ATOM 632 CB VAL A 39 6.309 -8.668 -17.446 1.00 42.44 C ATOM 633 CG1 VAL A 39 7.645 -9.238 -18.010 1.00 62.20 C ATOM 634 CG2 VAL A 39 5.088 -9.170 -18.264 1.00 63.44 C ATOM 0 H VAL A 39 4.517 -7.647 -15.854 1.00 43.15 H new ATOM 0 HA VAL A 39 6.199 -10.070 -15.777 1.00 41.44 H new ATOM 0 HB VAL A 39 6.363 -7.584 -17.547 1.00 42.44 H new ATOM 0 HG11 VAL A 39 7.728 -8.992 -19.069 1.00 62.20 H new ATOM 0 HG12 VAL A 39 8.484 -8.801 -17.469 1.00 62.20 H new ATOM 0 HG13 VAL A 39 7.659 -10.321 -17.887 1.00 62.20 H new ATOM 0 HG21 VAL A 39 5.236 -8.936 -19.318 1.00 63.44 H new ATOM 0 HG22 VAL A 39 4.987 -10.248 -18.142 1.00 63.44 H new ATOM 0 HG23 VAL A 39 4.183 -8.678 -17.907 1.00 63.44 H new ATOM 644 N SER A 40 8.309 -9.036 -14.770 1.00 74.24 N ATOM 645 CA SER A 40 9.428 -8.529 -13.944 1.00 31.54 C ATOM 646 C SER A 40 10.692 -8.251 -14.807 1.00 11.32 C ATOM 647 O SER A 40 11.142 -9.103 -15.579 1.00 21.22 O ATOM 648 CB SER A 40 9.738 -9.541 -12.818 1.00 45.05 C ATOM 649 OG SER A 40 9.985 -10.838 -13.338 1.00 42.21 O ATOM 0 H SER A 40 8.431 -10.002 -15.074 1.00 74.24 H new ATOM 0 HA SER A 40 9.130 -7.580 -13.499 1.00 31.54 H new ATOM 0 HB2 SER A 40 10.606 -9.203 -12.253 1.00 45.05 H new ATOM 0 HB3 SER A 40 8.900 -9.580 -12.122 1.00 45.05 H new ATOM 0 HG SER A 40 10.440 -10.763 -14.203 1.00 42.21 H new ATOM 655 N ASP A 41 11.228 -7.029 -14.651 1.00 51.34 N ATOM 656 CA ASP A 41 12.461 -6.524 -15.316 1.00 42.54 C ATOM 657 C ASP A 41 13.504 -6.127 -14.221 1.00 32.03 C ATOM 658 O ASP A 41 14.324 -5.209 -14.397 1.00 71.22 O ATOM 659 CB ASP A 41 12.052 -5.323 -16.231 1.00 33.41 C ATOM 660 CG ASP A 41 13.206 -4.701 -17.045 1.00 21.41 C ATOM 661 OD1 ASP A 41 13.722 -5.368 -17.965 1.00 15.40 O ATOM 662 OD2 ASP A 41 13.592 -3.534 -16.771 1.00 11.23 O ATOM 0 H ASP A 41 10.805 -6.333 -14.037 1.00 51.34 H new ATOM 0 HA ASP A 41 12.931 -7.283 -15.941 1.00 42.54 H new ATOM 0 HB2 ASP A 41 11.280 -5.659 -16.923 1.00 33.41 H new ATOM 0 HB3 ASP A 41 11.607 -4.547 -15.609 1.00 33.41 H new ATOM 667 N ASP A 42 13.468 -6.878 -13.093 1.00 60.34 N ATOM 668 CA ASP A 42 14.294 -6.633 -11.882 1.00 3.13 C ATOM 669 C ASP A 42 13.948 -5.262 -11.221 1.00 44.45 C ATOM 670 O ASP A 42 13.193 -5.198 -10.239 1.00 11.12 O ATOM 671 CB ASP A 42 15.820 -6.761 -12.209 1.00 44.41 C ATOM 672 CG ASP A 42 16.723 -6.724 -10.961 1.00 41.34 C ATOM 673 OD1 ASP A 42 17.055 -5.618 -10.467 1.00 33.44 O ATOM 674 OD2 ASP A 42 17.098 -7.808 -10.458 1.00 62.01 O ATOM 0 H ASP A 42 12.853 -7.686 -12.996 1.00 60.34 H new ATOM 0 HA ASP A 42 14.054 -7.404 -11.150 1.00 3.13 H new ATOM 0 HB2 ASP A 42 15.991 -7.695 -12.744 1.00 44.41 H new ATOM 0 HB3 ASP A 42 16.108 -5.952 -12.880 1.00 44.41 H new ATOM 679 N LYS A 43 14.506 -4.178 -11.791 1.00 4.04 N ATOM 680 CA LYS A 43 14.306 -2.787 -11.320 1.00 42.02 C ATOM 681 C LYS A 43 12.887 -2.250 -11.658 1.00 71.12 C ATOM 682 O LYS A 43 12.375 -1.373 -10.966 1.00 41.21 O ATOM 683 CB LYS A 43 15.372 -1.863 -11.977 1.00 45.01 C ATOM 684 CG LYS A 43 15.332 -1.857 -13.530 1.00 52.03 C ATOM 685 CD LYS A 43 16.166 -0.728 -14.172 1.00 55.33 C ATOM 686 CE LYS A 43 16.116 -0.773 -15.712 1.00 62.25 C ATOM 687 NZ LYS A 43 14.719 -0.806 -16.238 1.00 43.14 N ATOM 0 H LYS A 43 15.118 -4.240 -12.604 1.00 4.04 H new ATOM 0 HA LYS A 43 14.411 -2.788 -10.235 1.00 42.02 H new ATOM 0 HB2 LYS A 43 15.227 -0.845 -11.616 1.00 45.01 H new ATOM 0 HB3 LYS A 43 16.363 -2.179 -11.650 1.00 45.01 H new ATOM 0 HG2 LYS A 43 15.695 -2.817 -13.897 1.00 52.03 H new ATOM 0 HG3 LYS A 43 14.297 -1.762 -13.857 1.00 52.03 H new ATOM 0 HD2 LYS A 43 15.796 0.237 -13.826 1.00 55.33 H new ATOM 0 HD3 LYS A 43 17.201 -0.810 -13.841 1.00 55.33 H new ATOM 0 HE2 LYS A 43 16.632 0.099 -16.115 1.00 62.25 H new ATOM 0 HE3 LYS A 43 16.654 -1.653 -16.064 1.00 62.25 H new ATOM 0 HZ1 LYS A 43 14.625 -0.124 -17.018 1.00 43.14 H new ATOM 0 HZ2 LYS A 43 14.502 -1.762 -16.586 1.00 43.14 H new ATOM 0 HZ3 LYS A 43 14.056 -0.555 -15.477 1.00 43.14 H new ATOM 701 N THR A 44 12.283 -2.770 -12.748 1.00 60.30 N ATOM 702 CA THR A 44 10.975 -2.290 -13.273 1.00 34.42 C ATOM 703 C THR A 44 9.938 -3.440 -13.286 1.00 63.44 C ATOM 704 O THR A 44 10.297 -4.587 -13.517 1.00 43.40 O ATOM 705 CB THR A 44 11.137 -1.714 -14.732 1.00 72.05 C ATOM 706 OG1 THR A 44 12.212 -0.756 -14.772 1.00 70.21 O ATOM 707 CG2 THR A 44 9.851 -1.038 -15.246 1.00 53.01 C ATOM 0 H THR A 44 12.684 -3.534 -13.292 1.00 60.30 H new ATOM 0 HA THR A 44 10.622 -1.497 -12.614 1.00 34.42 H new ATOM 0 HB THR A 44 11.356 -2.563 -15.380 1.00 72.05 H new ATOM 0 HG1 THR A 44 12.137 -0.214 -15.585 1.00 70.21 H new ATOM 0 HG21 THR A 44 10.017 -0.659 -16.254 1.00 53.01 H new ATOM 0 HG22 THR A 44 9.039 -1.765 -15.261 1.00 53.01 H new ATOM 0 HG23 THR A 44 9.586 -0.211 -14.587 1.00 53.01 H new ATOM 715 N VAL A 45 8.654 -3.131 -13.014 1.00 25.54 N ATOM 716 CA VAL A 45 7.536 -4.108 -13.119 1.00 53.01 C ATOM 717 C VAL A 45 6.462 -3.578 -14.107 1.00 43.12 C ATOM 718 O VAL A 45 5.875 -2.516 -13.879 1.00 61.32 O ATOM 719 CB VAL A 45 6.867 -4.398 -11.715 1.00 43.00 C ATOM 720 CG1 VAL A 45 5.765 -5.489 -11.835 1.00 43.04 C ATOM 721 CG2 VAL A 45 7.925 -4.803 -10.654 1.00 42.21 C ATOM 0 H VAL A 45 8.357 -2.202 -12.716 1.00 25.54 H new ATOM 0 HA VAL A 45 7.954 -5.044 -13.489 1.00 53.01 H new ATOM 0 HB VAL A 45 6.397 -3.473 -11.381 1.00 43.00 H new ATOM 0 HG11 VAL A 45 5.322 -5.668 -10.855 1.00 43.04 H new ATOM 0 HG12 VAL A 45 4.993 -5.151 -12.526 1.00 43.04 H new ATOM 0 HG13 VAL A 45 6.207 -6.413 -12.208 1.00 43.04 H new ATOM 0 HG21 VAL A 45 7.430 -4.995 -9.702 1.00 42.21 H new ATOM 0 HG22 VAL A 45 8.443 -5.704 -10.982 1.00 42.21 H new ATOM 0 HG23 VAL A 45 8.646 -3.995 -10.532 1.00 42.21 H new ATOM 731 N THR A 46 6.222 -4.317 -15.209 1.00 10.44 N ATOM 732 CA THR A 46 5.193 -3.954 -16.216 1.00 45.22 C ATOM 733 C THR A 46 3.858 -4.667 -15.899 1.00 63.43 C ATOM 734 O THR A 46 3.760 -5.887 -16.026 1.00 54.45 O ATOM 735 CB THR A 46 5.649 -4.334 -17.670 1.00 24.11 C ATOM 736 OG1 THR A 46 6.935 -3.757 -17.946 1.00 11.45 O ATOM 737 CG2 THR A 46 4.649 -3.850 -18.741 1.00 74.24 C ATOM 0 H THR A 46 6.728 -5.175 -15.429 1.00 10.44 H new ATOM 0 HA THR A 46 5.056 -2.874 -16.167 1.00 45.22 H new ATOM 0 HB THR A 46 5.698 -5.422 -17.715 1.00 24.11 H new ATOM 0 HG1 THR A 46 7.286 -4.125 -18.784 1.00 11.45 H new ATOM 0 HG21 THR A 46 5.008 -4.136 -19.730 1.00 74.24 H new ATOM 0 HG22 THR A 46 3.675 -4.306 -18.562 1.00 74.24 H new ATOM 0 HG23 THR A 46 4.557 -2.765 -18.689 1.00 74.24 H new ATOM 745 N PHE A 47 2.838 -3.898 -15.495 1.00 13.10 N ATOM 746 CA PHE A 47 1.500 -4.432 -15.156 1.00 33.14 C ATOM 747 C PHE A 47 0.644 -4.543 -16.432 1.00 3.15 C ATOM 748 O PHE A 47 0.333 -3.523 -17.046 1.00 41.11 O ATOM 749 CB PHE A 47 0.773 -3.500 -14.146 1.00 53.23 C ATOM 750 CG PHE A 47 1.659 -2.907 -13.063 1.00 61.15 C ATOM 751 CD1 PHE A 47 2.268 -3.716 -12.116 1.00 41.10 C ATOM 752 CD2 PHE A 47 1.866 -1.533 -12.987 1.00 5.04 C ATOM 753 CE1 PHE A 47 3.057 -3.172 -11.126 1.00 14.11 C ATOM 754 CE2 PHE A 47 2.657 -0.993 -11.997 1.00 43.10 C ATOM 755 CZ PHE A 47 3.253 -1.814 -11.064 1.00 34.50 C ATOM 0 H PHE A 47 2.911 -2.886 -15.392 1.00 13.10 H new ATOM 0 HA PHE A 47 1.632 -5.415 -14.705 1.00 33.14 H new ATOM 0 HB2 PHE A 47 0.306 -2.685 -14.699 1.00 53.23 H new ATOM 0 HB3 PHE A 47 -0.030 -4.062 -13.669 1.00 53.23 H new ATOM 0 HD1 PHE A 47 2.122 -4.785 -12.155 1.00 41.10 H new ATOM 0 HD2 PHE A 47 1.401 -0.882 -13.713 1.00 5.04 H new ATOM 0 HE1 PHE A 47 3.523 -3.816 -10.395 1.00 14.11 H new ATOM 0 HE2 PHE A 47 2.810 0.075 -11.952 1.00 43.10 H new ATOM 0 HZ PHE A 47 3.872 -1.391 -10.287 1.00 34.50 H new ATOM 765 N CYS A 48 0.276 -5.765 -16.824 1.00 45.12 N ATOM 766 CA CYS A 48 -0.596 -6.004 -17.997 1.00 34.00 C ATOM 767 C CYS A 48 -2.054 -6.243 -17.567 1.00 62.42 C ATOM 768 O CYS A 48 -2.321 -6.933 -16.577 1.00 24.22 O ATOM 769 CB CYS A 48 -0.099 -7.206 -18.832 1.00 50.34 C ATOM 770 SG CYS A 48 -1.067 -7.521 -20.330 1.00 64.34 S ATOM 0 H CYS A 48 0.567 -6.618 -16.346 1.00 45.12 H new ATOM 0 HA CYS A 48 -0.553 -5.107 -18.615 1.00 34.00 H new ATOM 0 HB2 CYS A 48 0.940 -7.033 -19.114 1.00 50.34 H new ATOM 0 HB3 CYS A 48 -0.116 -8.099 -18.208 1.00 50.34 H new ATOM 0 HG CYS A 48 -0.571 -8.544 -20.960 1.00 64.34 H new ATOM 776 N TRP A 49 -2.985 -5.659 -18.335 1.00 44.42 N ATOM 777 CA TRP A 49 -4.438 -5.833 -18.159 1.00 43.02 C ATOM 778 C TRP A 49 -5.081 -6.471 -19.416 1.00 11.33 C ATOM 779 O TRP A 49 -4.497 -6.447 -20.512 1.00 13.10 O ATOM 780 CB TRP A 49 -5.109 -4.475 -17.815 1.00 54.33 C ATOM 781 CG TRP A 49 -4.935 -4.045 -16.370 1.00 13.32 C ATOM 782 CD1 TRP A 49 -5.715 -4.425 -15.309 1.00 72.15 C ATOM 783 CD2 TRP A 49 -3.934 -3.166 -15.826 1.00 75.24 C ATOM 784 NE1 TRP A 49 -5.269 -3.832 -14.159 1.00 35.42 N ATOM 785 CE2 TRP A 49 -4.177 -3.060 -14.445 1.00 62.35 C ATOM 786 CE3 TRP A 49 -2.857 -2.462 -16.369 1.00 51.51 C ATOM 787 CZ2 TRP A 49 -3.389 -2.279 -13.600 1.00 72.24 C ATOM 788 CZ3 TRP A 49 -2.076 -1.688 -15.532 1.00 33.34 C ATOM 789 CH2 TRP A 49 -2.345 -1.600 -14.159 1.00 41.51 C ATOM 0 H TRP A 49 -2.747 -5.041 -19.111 1.00 44.42 H new ATOM 0 HA TRP A 49 -4.601 -6.516 -17.325 1.00 43.02 H new ATOM 0 HB2 TRP A 49 -4.696 -3.703 -18.465 1.00 54.33 H new ATOM 0 HB3 TRP A 49 -6.174 -4.542 -18.037 1.00 54.33 H new ATOM 0 HD1 TRP A 49 -6.559 -5.095 -15.371 1.00 72.15 H new ATOM 0 HE1 TRP A 49 -5.685 -3.948 -13.235 1.00 35.42 H new ATOM 0 HE3 TRP A 49 -2.638 -2.521 -17.425 1.00 51.51 H new ATOM 0 HZ2 TRP A 49 -3.597 -2.214 -12.542 1.00 72.24 H new ATOM 0 HZ3 TRP A 49 -1.242 -1.140 -15.944 1.00 33.34 H new ATOM 0 HH2 TRP A 49 -1.716 -0.985 -13.533 1.00 41.51 H new ATOM 800 N GLY A 50 -6.299 -7.021 -19.221 1.00 42.22 N ATOM 801 CA GLY A 50 -7.008 -7.823 -20.233 1.00 0.02 C ATOM 802 C GLY A 50 -7.238 -7.132 -21.589 1.00 72.31 C ATOM 803 O GLY A 50 -7.102 -7.766 -22.643 1.00 44.52 O ATOM 0 H GLY A 50 -6.819 -6.918 -18.349 1.00 42.22 H new ATOM 0 HA2 GLY A 50 -6.444 -8.740 -20.404 1.00 0.02 H new ATOM 0 HA3 GLY A 50 -7.976 -8.115 -19.826 1.00 0.02 H new ATOM 807 N LYS A 51 -7.558 -5.821 -21.578 1.00 62.32 N ATOM 808 CA LYS A 51 -7.845 -5.040 -22.821 1.00 44.33 C ATOM 809 C LYS A 51 -6.528 -4.506 -23.486 1.00 34.42 C ATOM 810 O LYS A 51 -6.525 -3.441 -24.119 1.00 20.34 O ATOM 811 CB LYS A 51 -8.810 -3.858 -22.482 1.00 21.41 C ATOM 812 CG LYS A 51 -9.585 -3.272 -23.697 1.00 50.53 C ATOM 813 CD LYS A 51 -10.147 -1.859 -23.416 1.00 4.55 C ATOM 814 CE LYS A 51 -9.030 -0.800 -23.309 1.00 71.00 C ATOM 815 NZ LYS A 51 -9.531 0.515 -22.846 1.00 74.33 N ATOM 0 H LYS A 51 -7.627 -5.270 -20.722 1.00 62.32 H new ATOM 0 HA LYS A 51 -8.323 -5.703 -23.542 1.00 44.33 H new ATOM 0 HB2 LYS A 51 -9.532 -4.200 -21.740 1.00 21.41 H new ATOM 0 HB3 LYS A 51 -8.232 -3.058 -22.019 1.00 21.41 H new ATOM 0 HG2 LYS A 51 -8.922 -3.230 -24.561 1.00 50.53 H new ATOM 0 HG3 LYS A 51 -10.406 -3.941 -23.957 1.00 50.53 H new ATOM 0 HD2 LYS A 51 -10.836 -1.579 -24.212 1.00 4.55 H new ATOM 0 HD3 LYS A 51 -10.720 -1.875 -22.489 1.00 4.55 H new ATOM 0 HE2 LYS A 51 -8.263 -1.155 -22.620 1.00 71.00 H new ATOM 0 HE3 LYS A 51 -8.554 -0.681 -24.282 1.00 71.00 H new ATOM 0 HZ1 LYS A 51 -8.848 0.932 -22.182 1.00 74.33 H new ATOM 0 HZ2 LYS A 51 -9.651 1.148 -23.662 1.00 74.33 H new ATOM 0 HZ3 LYS A 51 -10.446 0.389 -22.368 1.00 74.33 H new ATOM 829 N THR A 52 -5.431 -5.297 -23.381 1.00 51.11 N ATOM 830 CA THR A 52 -4.060 -4.922 -23.827 1.00 14.42 C ATOM 831 C THR A 52 -3.652 -3.508 -23.334 1.00 43.43 C ATOM 832 O THR A 52 -3.642 -2.534 -24.099 1.00 44.54 O ATOM 833 CB THR A 52 -3.836 -5.078 -25.388 1.00 73.25 C ATOM 834 OG1 THR A 52 -4.758 -4.257 -26.132 1.00 60.02 O ATOM 835 CG2 THR A 52 -3.989 -6.548 -25.837 1.00 40.53 C ATOM 0 H THR A 52 -5.473 -6.232 -22.976 1.00 51.11 H new ATOM 0 HA THR A 52 -3.395 -5.644 -23.353 1.00 14.42 H new ATOM 0 HB THR A 52 -2.817 -4.750 -25.594 1.00 73.25 H new ATOM 0 HG1 THR A 52 -5.365 -3.802 -25.512 1.00 60.02 H new ATOM 0 HG21 THR A 52 -3.829 -6.618 -26.913 1.00 40.53 H new ATOM 0 HG22 THR A 52 -3.254 -7.165 -25.320 1.00 40.53 H new ATOM 0 HG23 THR A 52 -4.992 -6.900 -25.596 1.00 40.53 H new ATOM 843 N GLU A 53 -3.380 -3.413 -22.015 1.00 13.55 N ATOM 844 CA GLU A 53 -3.060 -2.148 -21.321 1.00 13.41 C ATOM 845 C GLU A 53 -1.906 -2.409 -20.345 1.00 23.14 C ATOM 846 O GLU A 53 -2.046 -3.188 -19.402 1.00 44.54 O ATOM 847 CB GLU A 53 -4.296 -1.582 -20.554 1.00 72.42 C ATOM 848 CG GLU A 53 -5.513 -1.245 -21.443 1.00 43.31 C ATOM 849 CD GLU A 53 -6.657 -0.545 -20.685 1.00 53.15 C ATOM 850 OE1 GLU A 53 -7.313 -1.199 -19.849 1.00 52.15 O ATOM 851 OE2 GLU A 53 -6.910 0.660 -20.936 1.00 62.24 O ATOM 0 H GLU A 53 -3.377 -4.223 -21.395 1.00 13.55 H new ATOM 0 HA GLU A 53 -2.772 -1.402 -22.061 1.00 13.41 H new ATOM 0 HB2 GLU A 53 -4.603 -2.309 -19.802 1.00 72.42 H new ATOM 0 HB3 GLU A 53 -3.993 -0.681 -20.021 1.00 72.42 H new ATOM 0 HG2 GLU A 53 -5.187 -0.605 -22.263 1.00 43.31 H new ATOM 0 HG3 GLU A 53 -5.893 -2.165 -21.888 1.00 43.31 H new ATOM 858 N GLN A 54 -0.759 -1.778 -20.595 1.00 41.12 N ATOM 859 CA GLN A 54 0.485 -2.037 -19.852 1.00 42.42 C ATOM 860 C GLN A 54 1.116 -0.744 -19.340 1.00 52.14 C ATOM 861 O GLN A 54 1.357 0.183 -20.112 1.00 70.40 O ATOM 862 CB GLN A 54 1.470 -2.815 -20.766 1.00 31.21 C ATOM 863 CG GLN A 54 1.143 -4.307 -20.877 1.00 15.31 C ATOM 864 CD GLN A 54 2.047 -5.093 -21.834 1.00 63.21 C ATOM 865 OE1 GLN A 54 2.554 -4.558 -22.813 1.00 51.52 O ATOM 866 NE2 GLN A 54 2.246 -6.373 -21.563 1.00 21.15 N ATOM 0 H GLN A 54 -0.661 -1.068 -21.321 1.00 41.12 H new ATOM 0 HA GLN A 54 0.251 -2.640 -18.975 1.00 42.42 H new ATOM 0 HB2 GLN A 54 1.457 -2.372 -21.762 1.00 31.21 H new ATOM 0 HB3 GLN A 54 2.482 -2.700 -20.379 1.00 31.21 H new ATOM 0 HG2 GLN A 54 1.211 -4.754 -19.885 1.00 15.31 H new ATOM 0 HG3 GLN A 54 0.109 -4.415 -21.205 1.00 15.31 H new ATOM 0 HE21 GLN A 54 1.812 -6.794 -20.741 1.00 21.15 H new ATOM 0 HE22 GLN A 54 2.833 -6.939 -22.176 1.00 21.15 H new ATOM 875 N ARG A 55 1.372 -0.688 -18.018 1.00 1.40 N ATOM 876 CA ARG A 55 2.112 0.420 -17.391 1.00 73.43 C ATOM 877 C ARG A 55 3.337 -0.110 -16.632 1.00 2.35 C ATOM 878 O ARG A 55 3.225 -1.036 -15.843 1.00 54.34 O ATOM 879 CB ARG A 55 1.225 1.252 -16.416 1.00 11.04 C ATOM 880 CG ARG A 55 0.082 2.057 -17.083 1.00 10.43 C ATOM 881 CD ARG A 55 -1.238 1.278 -17.237 1.00 33.33 C ATOM 882 NE ARG A 55 -2.321 2.103 -17.800 1.00 65.02 N ATOM 883 CZ ARG A 55 -2.897 3.127 -17.203 1.00 65.12 C ATOM 884 NH1 ARG A 55 -2.546 3.520 -16.018 1.00 31.33 N ATOM 885 NH2 ARG A 55 -3.831 3.768 -17.818 1.00 53.41 N ATOM 0 H ARG A 55 1.072 -1.407 -17.359 1.00 1.40 H new ATOM 0 HA ARG A 55 2.431 1.077 -18.200 1.00 73.43 H new ATOM 0 HB2 ARG A 55 0.789 0.575 -15.681 1.00 11.04 H new ATOM 0 HB3 ARG A 55 1.865 1.946 -15.871 1.00 11.04 H new ATOM 0 HG2 ARG A 55 -0.106 2.954 -16.493 1.00 10.43 H new ATOM 0 HG3 ARG A 55 0.413 2.386 -18.068 1.00 10.43 H new ATOM 0 HD2 ARG A 55 -1.073 0.414 -17.881 1.00 33.33 H new ATOM 0 HD3 ARG A 55 -1.546 0.896 -16.264 1.00 33.33 H new ATOM 0 HE ARG A 55 -2.654 1.861 -18.733 1.00 65.02 H new ATOM 0 HH11 ARG A 55 -1.802 3.032 -15.518 1.00 31.33 H new ATOM 0 HH12 ARG A 55 -3.013 4.317 -15.586 1.00 31.33 H new ATOM 0 HH21 ARG A 55 -4.115 3.481 -18.754 1.00 53.41 H new ATOM 0 HH22 ARG A 55 -4.286 4.563 -17.368 1.00 53.41 H new ATOM 899 N GLN A 56 4.495 0.510 -16.865 1.00 3.55 N ATOM 900 CA GLN A 56 5.752 0.145 -16.179 1.00 51.22 C ATOM 901 C GLN A 56 5.948 1.011 -14.920 1.00 12.24 C ATOM 902 O GLN A 56 5.638 2.203 -14.938 1.00 2.02 O ATOM 903 CB GLN A 56 6.945 0.315 -17.149 1.00 64.40 C ATOM 904 CG GLN A 56 6.849 -0.561 -18.414 1.00 72.32 C ATOM 905 CD GLN A 56 8.121 -0.570 -19.268 1.00 34.31 C ATOM 906 OE1 GLN A 56 8.857 0.412 -19.325 1.00 0.41 O ATOM 907 NE2 GLN A 56 8.396 -1.687 -19.925 1.00 53.21 N ATOM 0 H GLN A 56 4.596 1.277 -17.530 1.00 3.55 H new ATOM 0 HA GLN A 56 5.698 -0.898 -15.868 1.00 51.22 H new ATOM 0 HB2 GLN A 56 7.012 1.361 -17.447 1.00 64.40 H new ATOM 0 HB3 GLN A 56 7.868 0.074 -16.621 1.00 64.40 H new ATOM 0 HG2 GLN A 56 6.616 -1.584 -18.118 1.00 72.32 H new ATOM 0 HG3 GLN A 56 6.017 -0.209 -19.024 1.00 72.32 H new ATOM 0 HE21 GLN A 56 7.766 -2.486 -19.858 1.00 53.21 H new ATOM 0 HE22 GLN A 56 9.238 -1.748 -20.497 1.00 53.21 H new ATOM 916 N ALA A 57 6.467 0.400 -13.836 1.00 42.11 N ATOM 917 CA ALA A 57 6.752 1.099 -12.559 1.00 43.34 C ATOM 918 C ALA A 57 8.041 0.558 -11.900 1.00 32.01 C ATOM 919 O ALA A 57 8.125 -0.628 -11.566 1.00 72.10 O ATOM 920 CB ALA A 57 5.570 0.969 -11.588 1.00 53.02 C ATOM 0 H ALA A 57 6.702 -0.592 -13.818 1.00 42.11 H new ATOM 0 HA ALA A 57 6.901 2.154 -12.790 1.00 43.34 H new ATOM 0 HB1 ALA A 57 5.803 1.490 -10.659 1.00 53.02 H new ATOM 0 HB2 ALA A 57 4.680 1.409 -12.037 1.00 53.02 H new ATOM 0 HB3 ALA A 57 5.387 -0.085 -11.377 1.00 53.02 H new ATOM 926 N GLY A 58 9.031 1.446 -11.715 1.00 42.22 N ATOM 927 CA GLY A 58 10.301 1.088 -11.081 1.00 43.51 C ATOM 928 C GLY A 58 10.251 1.167 -9.556 1.00 33.41 C ATOM 929 O GLY A 58 9.616 2.073 -8.999 1.00 73.12 O ATOM 0 H GLY A 58 8.971 2.424 -12.000 1.00 42.22 H new ATOM 0 HA2 GLY A 58 10.576 0.076 -11.378 1.00 43.51 H new ATOM 0 HA3 GLY A 58 11.084 1.752 -11.448 1.00 43.51 H new ATOM 933 N ILE A 59 10.923 0.213 -8.880 1.00 51.32 N ATOM 934 CA ILE A 59 11.075 0.227 -7.412 1.00 1.40 C ATOM 935 C ILE A 59 12.054 1.359 -7.021 1.00 63.33 C ATOM 936 O ILE A 59 13.193 1.386 -7.498 1.00 71.32 O ATOM 937 CB ILE A 59 11.603 -1.146 -6.808 1.00 5.12 C ATOM 938 CG1 ILE A 59 10.640 -2.352 -7.126 1.00 33.10 C ATOM 939 CG2 ILE A 59 11.835 -1.023 -5.268 1.00 74.12 C ATOM 940 CD1 ILE A 59 10.676 -2.883 -8.556 1.00 52.12 C ATOM 0 H ILE A 59 11.372 -0.583 -9.333 1.00 51.32 H new ATOM 0 HA ILE A 59 10.081 0.390 -6.995 1.00 1.40 H new ATOM 0 HB ILE A 59 12.556 -1.358 -7.293 1.00 5.12 H new ATOM 0 HG12 ILE A 59 10.883 -3.172 -6.450 1.00 33.10 H new ATOM 0 HG13 ILE A 59 9.619 -2.044 -6.900 1.00 33.10 H new ATOM 0 HG21 ILE A 59 12.196 -1.974 -4.877 1.00 74.12 H new ATOM 0 HG22 ILE A 59 12.574 -0.246 -5.072 1.00 74.12 H new ATOM 0 HG23 ILE A 59 10.897 -0.762 -4.778 1.00 74.12 H new ATOM 0 HD11 ILE A 59 9.973 -3.710 -8.655 1.00 52.12 H new ATOM 0 HD12 ILE A 59 10.399 -2.087 -9.247 1.00 52.12 H new ATOM 0 HD13 ILE A 59 11.682 -3.232 -8.789 1.00 52.12 H new ATOM 952 N VAL A 60 11.604 2.287 -6.161 1.00 12.51 N ATOM 953 CA VAL A 60 12.427 3.436 -5.718 1.00 1.33 C ATOM 954 C VAL A 60 13.300 3.034 -4.504 1.00 63.12 C ATOM 955 O VAL A 60 14.513 3.272 -4.485 1.00 65.40 O ATOM 956 CB VAL A 60 11.525 4.677 -5.356 1.00 44.10 C ATOM 957 CG1 VAL A 60 12.373 5.919 -4.971 1.00 54.41 C ATOM 958 CG2 VAL A 60 10.540 5.005 -6.506 1.00 31.00 C ATOM 0 H VAL A 60 10.669 2.268 -5.754 1.00 12.51 H new ATOM 0 HA VAL A 60 13.079 3.723 -6.543 1.00 1.33 H new ATOM 0 HB VAL A 60 10.939 4.405 -4.478 1.00 44.10 H new ATOM 0 HG11 VAL A 60 11.711 6.751 -4.729 1.00 54.41 H new ATOM 0 HG12 VAL A 60 12.991 5.683 -4.105 1.00 54.41 H new ATOM 0 HG13 VAL A 60 13.013 6.196 -5.809 1.00 54.41 H new ATOM 0 HG21 VAL A 60 9.931 5.865 -6.229 1.00 31.00 H new ATOM 0 HG22 VAL A 60 11.101 5.235 -7.412 1.00 31.00 H new ATOM 0 HG23 VAL A 60 9.894 4.146 -6.688 1.00 31.00 H new ATOM 968 N ALA A 61 12.658 2.399 -3.505 1.00 14.23 N ATOM 969 CA ALA A 61 13.328 1.913 -2.282 1.00 54.14 C ATOM 970 C ALA A 61 12.500 0.794 -1.620 1.00 50.43 C ATOM 971 O ALA A 61 11.270 0.805 -1.687 1.00 32.12 O ATOM 972 CB ALA A 61 13.554 3.068 -1.291 1.00 5.51 C ATOM 0 H ALA A 61 11.656 2.208 -3.523 1.00 14.23 H new ATOM 0 HA ALA A 61 14.299 1.506 -2.564 1.00 54.14 H new ATOM 0 HB1 ALA A 61 14.049 2.689 -0.397 1.00 5.51 H new ATOM 0 HB2 ALA A 61 14.180 3.830 -1.756 1.00 5.51 H new ATOM 0 HB3 ALA A 61 12.594 3.505 -1.017 1.00 5.51 H new ATOM 978 N ILE A 62 13.191 -0.161 -0.978 1.00 22.24 N ATOM 979 CA ILE A 62 12.555 -1.290 -0.256 1.00 73.52 C ATOM 980 C ILE A 62 13.540 -1.879 0.786 1.00 55.30 C ATOM 981 O ILE A 62 14.757 -1.849 0.581 1.00 4.43 O ATOM 982 CB ILE A 62 12.053 -2.423 -1.250 1.00 14.42 C ATOM 983 CG1 ILE A 62 11.344 -3.593 -0.475 1.00 51.21 C ATOM 984 CG2 ILE A 62 13.205 -2.944 -2.145 1.00 14.53 C ATOM 985 CD1 ILE A 62 10.854 -4.744 -1.336 1.00 74.04 C ATOM 0 H ILE A 62 14.210 -0.178 -0.941 1.00 22.24 H new ATOM 0 HA ILE A 62 11.678 -0.901 0.260 1.00 73.52 H new ATOM 0 HB ILE A 62 11.310 -1.975 -1.910 1.00 14.42 H new ATOM 0 HG12 ILE A 62 12.038 -3.987 0.267 1.00 51.21 H new ATOM 0 HG13 ILE A 62 10.494 -3.182 0.070 1.00 51.21 H new ATOM 0 HG21 ILE A 62 12.826 -3.718 -2.812 1.00 14.53 H new ATOM 0 HG22 ILE A 62 13.608 -2.121 -2.735 1.00 14.53 H new ATOM 0 HG23 ILE A 62 13.993 -3.360 -1.518 1.00 14.53 H new ATOM 0 HD11 ILE A 62 10.381 -5.496 -0.704 1.00 74.04 H new ATOM 0 HD12 ILE A 62 10.130 -4.373 -2.062 1.00 74.04 H new ATOM 0 HD13 ILE A 62 11.698 -5.191 -1.861 1.00 74.04 H new ATOM 997 N ARG A 63 13.001 -2.387 1.909 1.00 32.55 N ATOM 998 CA ARG A 63 13.797 -3.063 2.959 1.00 34.20 C ATOM 999 C ARG A 63 12.895 -4.009 3.783 1.00 30.34 C ATOM 1000 O ARG A 63 12.146 -3.545 4.650 1.00 74.30 O ATOM 1001 CB ARG A 63 14.484 -2.023 3.884 1.00 45.30 C ATOM 1002 CG ARG A 63 15.352 -2.632 5.007 1.00 61.03 C ATOM 1003 CD ARG A 63 16.029 -1.570 5.888 1.00 12.22 C ATOM 1004 NE ARG A 63 16.962 -0.714 5.123 1.00 51.41 N ATOM 1005 CZ ARG A 63 18.272 -0.707 5.247 1.00 30.25 C ATOM 1006 NH1 ARG A 63 18.880 -1.531 6.039 1.00 24.21 N ATOM 1007 NH2 ARG A 63 18.970 0.122 4.548 1.00 25.23 N ATOM 0 H ARG A 63 12.004 -2.343 2.117 1.00 32.55 H new ATOM 0 HA ARG A 63 14.576 -3.653 2.477 1.00 34.20 H new ATOM 0 HB2 ARG A 63 15.109 -1.371 3.274 1.00 45.30 H new ATOM 0 HB3 ARG A 63 13.716 -1.396 4.337 1.00 45.30 H new ATOM 0 HG2 ARG A 63 14.730 -3.272 5.633 1.00 61.03 H new ATOM 0 HG3 ARG A 63 16.117 -3.268 4.562 1.00 61.03 H new ATOM 0 HD2 ARG A 63 15.265 -0.946 6.352 1.00 12.22 H new ATOM 0 HD3 ARG A 63 16.571 -2.063 6.695 1.00 12.22 H new ATOM 0 HE ARG A 63 16.555 -0.074 4.441 1.00 51.41 H new ATOM 0 HH11 ARG A 63 18.342 -2.205 6.584 1.00 24.21 H new ATOM 0 HH12 ARG A 63 19.897 -1.506 6.118 1.00 24.21 H new ATOM 0 HH21 ARG A 63 18.506 0.765 3.906 1.00 25.23 H new ATOM 0 HH22 ARG A 63 19.986 0.135 4.637 1.00 25.23 H new ATOM 1021 N ALA A 64 12.996 -5.328 3.496 1.00 52.42 N ATOM 1022 CA ALA A 64 12.232 -6.413 4.169 1.00 64.25 C ATOM 1023 C ALA A 64 10.693 -6.175 4.171 1.00 54.40 C ATOM 1024 O ALA A 64 9.965 -6.707 3.322 1.00 35.11 O ATOM 1025 CB ALA A 64 12.773 -6.660 5.598 1.00 22.54 C ATOM 0 H ALA A 64 13.625 -5.679 2.774 1.00 52.42 H new ATOM 0 HA ALA A 64 12.389 -7.316 3.579 1.00 64.25 H new ATOM 0 HB1 ALA A 64 12.200 -7.457 6.071 1.00 22.54 H new ATOM 0 HB2 ALA A 64 13.822 -6.950 5.545 1.00 22.54 H new ATOM 0 HB3 ALA A 64 12.678 -5.747 6.186 1.00 22.54 H new ATOM 1031 N TYR A 65 10.220 -5.344 5.122 1.00 33.24 N ATOM 1032 CA TYR A 65 8.787 -4.994 5.279 1.00 22.31 C ATOM 1033 C TYR A 65 8.616 -3.555 5.852 1.00 70.44 C ATOM 1034 O TYR A 65 7.498 -3.024 5.913 1.00 11.03 O ATOM 1035 CB TYR A 65 8.094 -6.039 6.197 1.00 23.45 C ATOM 1036 CG TYR A 65 8.381 -5.903 7.711 1.00 20.44 C ATOM 1037 CD1 TYR A 65 9.685 -5.885 8.227 1.00 22.34 C ATOM 1038 CD2 TYR A 65 7.334 -5.780 8.621 1.00 44.40 C ATOM 1039 CE1 TYR A 65 9.915 -5.749 9.589 1.00 44.42 C ATOM 1040 CE2 TYR A 65 7.556 -5.644 9.968 1.00 21.34 C ATOM 1041 CZ TYR A 65 8.841 -5.631 10.455 1.00 34.12 C ATOM 1042 OH TYR A 65 9.053 -5.497 11.816 1.00 24.32 O ATOM 0 H TYR A 65 10.823 -4.892 5.809 1.00 33.24 H new ATOM 0 HA TYR A 65 8.314 -5.011 4.297 1.00 22.31 H new ATOM 0 HB2 TYR A 65 7.017 -5.972 6.043 1.00 23.45 H new ATOM 0 HB3 TYR A 65 8.400 -7.035 5.877 1.00 23.45 H new ATOM 0 HD1 TYR A 65 10.524 -5.979 7.553 1.00 22.34 H new ATOM 0 HD2 TYR A 65 6.318 -5.792 8.256 1.00 44.40 H new ATOM 0 HE1 TYR A 65 10.925 -5.735 9.971 1.00 44.42 H new ATOM 0 HE2 TYR A 65 6.721 -5.547 10.646 1.00 21.34 H new ATOM 0 HH TYR A 65 9.906 -5.041 11.971 1.00 24.32 H new ATOM 1052 N SER A 66 9.754 -2.937 6.244 1.00 34.02 N ATOM 1053 CA SER A 66 9.811 -1.602 6.894 1.00 14.14 C ATOM 1054 C SER A 66 9.370 -0.460 5.945 1.00 35.25 C ATOM 1055 O SER A 66 9.062 0.635 6.414 1.00 75.02 O ATOM 1056 CB SER A 66 11.252 -1.325 7.404 1.00 71.52 C ATOM 1057 OG SER A 66 11.698 -2.340 8.296 1.00 64.30 O ATOM 0 H SER A 66 10.675 -3.357 6.117 1.00 34.02 H new ATOM 0 HA SER A 66 9.111 -1.622 7.730 1.00 14.14 H new ATOM 0 HB2 SER A 66 11.933 -1.262 6.555 1.00 71.52 H new ATOM 0 HB3 SER A 66 11.280 -0.359 7.908 1.00 71.52 H new ATOM 0 HG SER A 66 12.608 -2.135 8.596 1.00 64.30 H new ATOM 1063 N PHE A 67 9.369 -0.738 4.620 1.00 3.01 N ATOM 1064 CA PHE A 67 8.948 0.209 3.553 1.00 72.24 C ATOM 1065 C PHE A 67 9.134 -0.426 2.160 1.00 5.54 C ATOM 1066 O PHE A 67 10.030 -1.262 1.959 1.00 73.24 O ATOM 1067 CB PHE A 67 9.686 1.595 3.609 1.00 64.13 C ATOM 1068 CG PHE A 67 11.221 1.551 3.580 1.00 63.22 C ATOM 1069 CD1 PHE A 67 11.927 1.487 2.376 1.00 62.44 C ATOM 1070 CD2 PHE A 67 11.960 1.596 4.765 1.00 41.21 C ATOM 1071 CE1 PHE A 67 13.307 1.474 2.360 1.00 23.22 C ATOM 1072 CE2 PHE A 67 13.340 1.577 4.747 1.00 1.53 C ATOM 1073 CZ PHE A 67 14.011 1.517 3.544 1.00 34.30 C ATOM 0 H PHE A 67 9.666 -1.642 4.253 1.00 3.01 H new ATOM 0 HA PHE A 67 7.892 0.410 3.735 1.00 72.24 H new ATOM 0 HB2 PHE A 67 9.345 2.198 2.767 1.00 64.13 H new ATOM 0 HB3 PHE A 67 9.376 2.111 4.518 1.00 64.13 H new ATOM 0 HD1 PHE A 67 11.384 1.447 1.443 1.00 62.44 H new ATOM 0 HD2 PHE A 67 11.442 1.647 5.712 1.00 41.21 H new ATOM 0 HE1 PHE A 67 13.835 1.430 1.419 1.00 23.22 H new ATOM 0 HE2 PHE A 67 13.893 1.609 5.674 1.00 1.53 H new ATOM 0 HZ PHE A 67 15.091 1.504 3.530 1.00 34.30 H new ATOM 1083 N ILE A 68 8.267 -0.034 1.215 1.00 3.42 N ATOM 1084 CA ILE A 68 8.419 -0.366 -0.213 1.00 52.25 C ATOM 1085 C ILE A 68 7.788 0.734 -1.091 1.00 23.44 C ATOM 1086 O ILE A 68 6.705 1.230 -0.798 1.00 65.22 O ATOM 1087 CB ILE A 68 7.808 -1.772 -0.568 1.00 11.40 C ATOM 1088 CG1 ILE A 68 8.067 -2.134 -2.070 1.00 72.34 C ATOM 1089 CG2 ILE A 68 6.300 -1.836 -0.218 1.00 22.20 C ATOM 1090 CD1 ILE A 68 7.547 -3.489 -2.489 1.00 32.45 C ATOM 0 H ILE A 68 7.438 0.524 1.418 1.00 3.42 H new ATOM 0 HA ILE A 68 9.488 -0.419 -0.420 1.00 52.25 H new ATOM 0 HB ILE A 68 8.313 -2.520 0.043 1.00 11.40 H new ATOM 0 HG12 ILE A 68 7.606 -1.372 -2.698 1.00 72.34 H new ATOM 0 HG13 ILE A 68 9.140 -2.097 -2.259 1.00 72.34 H new ATOM 0 HG21 ILE A 68 5.908 -2.820 -0.475 1.00 22.20 H new ATOM 0 HG22 ILE A 68 6.166 -1.660 0.849 1.00 22.20 H new ATOM 0 HG23 ILE A 68 5.763 -1.073 -0.781 1.00 22.20 H new ATOM 0 HD11 ILE A 68 7.771 -3.655 -3.543 1.00 32.45 H new ATOM 0 HD12 ILE A 68 8.026 -4.264 -1.890 1.00 32.45 H new ATOM 0 HD13 ILE A 68 6.468 -3.528 -2.336 1.00 32.45 H new ATOM 1102 N ARG A 69 8.505 1.121 -2.160 1.00 32.20 N ATOM 1103 CA ARG A 69 8.125 2.248 -3.038 1.00 31.11 C ATOM 1104 C ARG A 69 8.083 1.826 -4.523 1.00 4.05 C ATOM 1105 O ARG A 69 8.969 1.113 -4.998 1.00 31.45 O ATOM 1106 CB ARG A 69 9.132 3.426 -2.864 1.00 41.42 C ATOM 1107 CG ARG A 69 9.050 4.189 -1.520 1.00 35.22 C ATOM 1108 CD ARG A 69 9.858 3.577 -0.362 1.00 42.20 C ATOM 1109 NE ARG A 69 9.644 4.327 0.895 1.00 51.11 N ATOM 1110 CZ ARG A 69 10.587 4.782 1.696 1.00 52.43 C ATOM 1111 NH1 ARG A 69 11.846 4.634 1.422 1.00 11.31 N ATOM 1112 NH2 ARG A 69 10.244 5.408 2.769 1.00 50.42 N ATOM 0 H ARG A 69 9.370 0.660 -2.443 1.00 32.20 H new ATOM 0 HA ARG A 69 7.125 2.568 -2.746 1.00 31.11 H new ATOM 0 HB2 ARG A 69 10.143 3.035 -2.977 1.00 41.42 H new ATOM 0 HB3 ARG A 69 8.973 4.137 -3.674 1.00 41.42 H new ATOM 0 HG2 ARG A 69 9.394 5.211 -1.680 1.00 35.22 H new ATOM 0 HG3 ARG A 69 8.004 4.249 -1.219 1.00 35.22 H new ATOM 0 HD2 ARG A 69 9.566 2.536 -0.222 1.00 42.20 H new ATOM 0 HD3 ARG A 69 10.918 3.579 -0.614 1.00 42.20 H new ATOM 0 HE ARG A 69 8.678 4.509 1.167 1.00 51.11 H new ATOM 0 HH11 ARG A 69 12.129 4.155 0.567 1.00 11.31 H new ATOM 0 HH12 ARG A 69 12.553 4.997 2.061 1.00 11.31 H new ATOM 0 HH21 ARG A 69 9.257 5.544 2.986 1.00 50.42 H new ATOM 0 HH22 ARG A 69 10.960 5.767 3.401 1.00 50.42 H new ATOM 1126 N PHE A 70 7.046 2.292 -5.241 1.00 12.50 N ATOM 1127 CA PHE A 70 6.934 2.179 -6.718 1.00 74.11 C ATOM 1128 C PHE A 70 6.673 3.571 -7.334 1.00 11.33 C ATOM 1129 O PHE A 70 5.977 4.408 -6.741 1.00 3.45 O ATOM 1130 CB PHE A 70 5.793 1.203 -7.134 1.00 50.54 C ATOM 1131 CG PHE A 70 6.086 -0.273 -6.864 1.00 24.42 C ATOM 1132 CD1 PHE A 70 5.773 -0.858 -5.638 1.00 72.42 C ATOM 1133 CD2 PHE A 70 6.674 -1.080 -7.847 1.00 65.50 C ATOM 1134 CE1 PHE A 70 6.041 -2.190 -5.400 1.00 44.31 C ATOM 1135 CE2 PHE A 70 6.938 -2.413 -7.604 1.00 63.21 C ATOM 1136 CZ PHE A 70 6.622 -2.968 -6.383 1.00 72.14 C ATOM 0 H PHE A 70 6.250 2.764 -4.813 1.00 12.50 H new ATOM 0 HA PHE A 70 7.876 1.779 -7.093 1.00 74.11 H new ATOM 0 HB2 PHE A 70 4.883 1.482 -6.603 1.00 50.54 H new ATOM 0 HB3 PHE A 70 5.593 1.331 -8.198 1.00 50.54 H new ATOM 0 HD1 PHE A 70 5.315 -0.260 -4.864 1.00 72.42 H new ATOM 0 HD2 PHE A 70 6.924 -0.654 -8.807 1.00 65.50 H new ATOM 0 HE1 PHE A 70 5.796 -2.626 -4.443 1.00 44.31 H new ATOM 0 HE2 PHE A 70 7.393 -3.022 -8.372 1.00 63.21 H new ATOM 0 HZ PHE A 70 6.828 -4.011 -6.194 1.00 72.14 H new ATOM 1146 N HIS A 71 7.241 3.806 -8.524 1.00 10.03 N ATOM 1147 CA HIS A 71 7.001 5.027 -9.314 1.00 74.44 C ATOM 1148 C HIS A 71 6.788 4.643 -10.789 1.00 50.24 C ATOM 1149 O HIS A 71 7.661 4.031 -11.409 1.00 24.42 O ATOM 1150 CB HIS A 71 8.186 6.016 -9.180 1.00 1.03 C ATOM 1151 CG HIS A 71 7.949 7.336 -9.870 1.00 14.52 C ATOM 1152 ND1 HIS A 71 8.146 7.529 -11.220 1.00 70.11 N ATOM 1153 CD2 HIS A 71 7.480 8.514 -9.395 1.00 45.12 C ATOM 1154 CE1 HIS A 71 7.806 8.759 -11.543 1.00 24.32 C ATOM 1155 NE2 HIS A 71 7.400 9.382 -10.455 1.00 32.44 N ATOM 0 H HIS A 71 7.884 3.152 -8.971 1.00 10.03 H new ATOM 0 HA HIS A 71 6.108 5.524 -8.934 1.00 74.44 H new ATOM 0 HB2 HIS A 71 8.380 6.197 -8.123 1.00 1.03 H new ATOM 0 HB3 HIS A 71 9.083 5.555 -9.594 1.00 1.03 H new ATOM 0 HD2 HIS A 71 7.217 8.731 -8.370 1.00 45.12 H new ATOM 0 HE1 HIS A 71 7.852 9.186 -12.534 1.00 24.32 H new ATOM 0 HE2 HIS A 71 7.079 10.349 -10.408 1.00 32.44 H new ATOM 1164 N TRP A 72 5.636 5.028 -11.347 1.00 34.24 N ATOM 1165 CA TRP A 72 5.259 4.688 -12.730 1.00 61.44 C ATOM 1166 C TRP A 72 6.054 5.513 -13.766 1.00 52.44 C ATOM 1167 O TRP A 72 6.065 6.747 -13.723 1.00 13.25 O ATOM 1168 CB TRP A 72 3.736 4.874 -12.936 1.00 2.13 C ATOM 1169 CG TRP A 72 2.881 3.824 -12.250 1.00 23.15 C ATOM 1170 CD1 TRP A 72 2.283 2.741 -12.837 1.00 74.33 C ATOM 1171 CD2 TRP A 72 2.542 3.753 -10.851 1.00 43.23 C ATOM 1172 NE1 TRP A 72 1.586 2.024 -11.905 1.00 43.11 N ATOM 1173 CE2 TRP A 72 1.739 2.612 -10.678 1.00 74.31 C ATOM 1174 CE3 TRP A 72 2.846 4.541 -9.730 1.00 70.01 C ATOM 1175 CZ2 TRP A 72 1.223 2.243 -9.435 1.00 11.50 C ATOM 1176 CZ3 TRP A 72 2.340 4.171 -8.496 1.00 72.21 C ATOM 1177 CH2 TRP A 72 1.539 3.029 -8.355 1.00 64.50 C ATOM 0 H TRP A 72 4.936 5.584 -10.856 1.00 34.24 H new ATOM 0 HA TRP A 72 5.512 3.640 -12.890 1.00 61.44 H new ATOM 0 HB2 TRP A 72 3.449 5.858 -12.566 1.00 2.13 H new ATOM 0 HB3 TRP A 72 3.521 4.860 -14.005 1.00 2.13 H new ATOM 0 HD1 TRP A 72 2.352 2.490 -13.885 1.00 74.33 H new ATOM 0 HE1 TRP A 72 1.039 1.184 -12.094 1.00 43.11 H new ATOM 0 HE3 TRP A 72 3.464 5.421 -9.829 1.00 70.01 H new ATOM 0 HZ2 TRP A 72 0.597 1.370 -9.327 1.00 11.50 H new ATOM 0 HZ3 TRP A 72 2.566 4.772 -7.627 1.00 72.21 H new ATOM 0 HH2 TRP A 72 1.163 2.763 -7.378 1.00 64.50 H new ATOM 1188 N LEU A 73 6.744 4.792 -14.665 1.00 20.32 N ATOM 1189 CA LEU A 73 7.370 5.362 -15.876 1.00 43.40 C ATOM 1190 C LEU A 73 6.272 5.876 -16.841 1.00 54.34 C ATOM 1191 O LEU A 73 6.418 6.928 -17.471 1.00 53.13 O ATOM 1192 CB LEU A 73 8.246 4.287 -16.611 1.00 13.32 C ATOM 1193 CG LEU A 73 9.585 3.845 -15.930 1.00 63.13 C ATOM 1194 CD1 LEU A 73 10.507 5.052 -15.674 1.00 34.31 C ATOM 1195 CD2 LEU A 73 9.350 3.022 -14.647 1.00 32.33 C ATOM 0 H LEU A 73 6.886 3.786 -14.573 1.00 20.32 H new ATOM 0 HA LEU A 73 8.012 6.189 -15.572 1.00 43.40 H new ATOM 0 HB2 LEU A 73 7.633 3.397 -16.754 1.00 13.32 H new ATOM 0 HB3 LEU A 73 8.486 4.671 -17.602 1.00 13.32 H new ATOM 0 HG LEU A 73 10.094 3.183 -16.631 1.00 63.13 H new ATOM 0 HD11 LEU A 73 11.428 4.712 -15.200 1.00 34.31 H new ATOM 0 HD12 LEU A 73 10.743 5.537 -16.621 1.00 34.31 H new ATOM 0 HD13 LEU A 73 10.003 5.762 -15.019 1.00 34.31 H new ATOM 0 HD21 LEU A 73 10.310 2.741 -14.214 1.00 32.33 H new ATOM 0 HD22 LEU A 73 8.789 3.620 -13.929 1.00 32.33 H new ATOM 0 HD23 LEU A 73 8.784 2.123 -14.890 1.00 32.33 H new ATOM 1311 N TYR A 81 3.297 9.953 -5.261 1.00 32.11 N ATOM 1312 CA TYR A 81 4.301 9.094 -4.592 1.00 51.02 C ATOM 1313 C TYR A 81 3.594 8.012 -3.741 1.00 2.12 C ATOM 1314 O TYR A 81 2.916 8.324 -2.763 1.00 42.21 O ATOM 1315 CB TYR A 81 5.235 9.988 -3.725 1.00 62.33 C ATOM 1316 CG TYR A 81 6.246 9.226 -2.850 1.00 72.31 C ATOM 1317 CD1 TYR A 81 7.320 8.530 -3.418 1.00 34.15 C ATOM 1318 CD2 TYR A 81 6.136 9.224 -1.453 1.00 0.51 C ATOM 1319 CE1 TYR A 81 8.236 7.862 -2.628 1.00 53.14 C ATOM 1320 CE2 TYR A 81 7.048 8.556 -0.667 1.00 2.51 C ATOM 1321 CZ TYR A 81 8.093 7.880 -1.254 1.00 1.51 C ATOM 1322 OH TYR A 81 9.010 7.227 -0.461 1.00 34.42 O ATOM 0 HA TYR A 81 4.908 8.577 -5.336 1.00 51.02 H new ATOM 0 HB2 TYR A 81 5.784 10.659 -4.385 1.00 62.33 H new ATOM 0 HB3 TYR A 81 4.617 10.611 -3.079 1.00 62.33 H new ATOM 0 HD1 TYR A 81 7.434 8.515 -4.492 1.00 34.15 H new ATOM 0 HD2 TYR A 81 5.321 9.756 -0.984 1.00 0.51 H new ATOM 0 HE1 TYR A 81 9.059 7.329 -3.082 1.00 53.14 H new ATOM 0 HE2 TYR A 81 6.943 8.563 0.408 1.00 2.51 H new ATOM 0 HH TYR A 81 8.572 6.918 0.359 1.00 34.42 H new ATOM 1332 N PHE A 82 3.756 6.736 -4.126 1.00 11.30 N ATOM 1333 CA PHE A 82 3.111 5.599 -3.430 1.00 72.43 C ATOM 1334 C PHE A 82 4.145 4.699 -2.729 1.00 11.32 C ATOM 1335 O PHE A 82 4.987 4.063 -3.379 1.00 42.44 O ATOM 1336 CB PHE A 82 2.246 4.777 -4.424 1.00 41.51 C ATOM 1337 CG PHE A 82 0.955 5.489 -4.827 1.00 43.21 C ATOM 1338 CD1 PHE A 82 0.927 6.391 -5.893 1.00 42.51 C ATOM 1339 CD2 PHE A 82 -0.231 5.268 -4.120 1.00 61.43 C ATOM 1340 CE1 PHE A 82 -0.240 7.046 -6.238 1.00 63.43 C ATOM 1341 CE2 PHE A 82 -1.394 5.922 -4.472 1.00 24.12 C ATOM 1342 CZ PHE A 82 -1.399 6.812 -5.530 1.00 15.25 C ATOM 0 H PHE A 82 4.332 6.459 -4.921 1.00 11.30 H new ATOM 0 HA PHE A 82 2.461 6.008 -2.656 1.00 72.43 H new ATOM 0 HB2 PHE A 82 2.832 4.567 -5.319 1.00 41.51 H new ATOM 0 HB3 PHE A 82 1.998 3.816 -3.972 1.00 41.51 H new ATOM 0 HD1 PHE A 82 1.830 6.579 -6.455 1.00 42.51 H new ATOM 0 HD2 PHE A 82 -0.237 4.578 -3.289 1.00 61.43 H new ATOM 0 HE1 PHE A 82 -0.244 7.742 -7.064 1.00 63.43 H new ATOM 0 HE2 PHE A 82 -2.303 5.738 -3.919 1.00 24.12 H new ATOM 0 HZ PHE A 82 -2.311 7.324 -5.801 1.00 15.25 H new ATOM 1352 N GLU A 83 4.077 4.682 -1.388 1.00 12.01 N ATOM 1353 CA GLU A 83 4.811 3.725 -0.539 1.00 33.04 C ATOM 1354 C GLU A 83 3.850 3.032 0.447 1.00 33.04 C ATOM 1355 O GLU A 83 2.846 3.615 0.876 1.00 64.23 O ATOM 1356 CB GLU A 83 5.953 4.412 0.251 1.00 63.43 C ATOM 1357 CG GLU A 83 5.511 5.580 1.148 1.00 41.51 C ATOM 1358 CD GLU A 83 6.476 5.887 2.297 1.00 65.21 C ATOM 1359 OE1 GLU A 83 7.604 6.342 2.032 1.00 71.12 O ATOM 1360 OE2 GLU A 83 6.107 5.674 3.472 1.00 62.30 O ATOM 0 H GLU A 83 3.506 5.338 -0.856 1.00 12.01 H new ATOM 0 HA GLU A 83 5.255 2.982 -1.202 1.00 33.04 H new ATOM 0 HB2 GLU A 83 6.447 3.664 0.871 1.00 63.43 H new ATOM 0 HB3 GLU A 83 6.695 4.779 -0.458 1.00 63.43 H new ATOM 0 HG2 GLU A 83 5.399 6.473 0.534 1.00 41.51 H new ATOM 0 HG3 GLU A 83 4.529 5.353 1.563 1.00 41.51 H new ATOM 1367 N ILE A 84 4.169 1.776 0.791 1.00 72.33 N ATOM 1368 CA ILE A 84 3.409 0.979 1.771 1.00 54.35 C ATOM 1369 C ILE A 84 4.389 0.408 2.825 1.00 21.53 C ATOM 1370 O ILE A 84 5.448 -0.129 2.485 1.00 13.11 O ATOM 1371 CB ILE A 84 2.574 -0.190 1.104 1.00 25.51 C ATOM 1372 CG1 ILE A 84 1.511 0.351 0.067 1.00 3.30 C ATOM 1373 CG2 ILE A 84 1.886 -1.051 2.191 1.00 52.04 C ATOM 1374 CD1 ILE A 84 2.025 0.596 -1.343 1.00 45.02 C ATOM 0 H ILE A 84 4.967 1.279 0.395 1.00 72.33 H new ATOM 0 HA ILE A 84 2.683 1.640 2.244 1.00 54.35 H new ATOM 0 HB ILE A 84 3.275 -0.813 0.549 1.00 25.51 H new ATOM 0 HG12 ILE A 84 0.688 -0.362 0.014 1.00 3.30 H new ATOM 0 HG13 ILE A 84 1.100 1.285 0.451 1.00 3.30 H new ATOM 0 HG21 ILE A 84 1.316 -1.850 1.716 1.00 52.04 H new ATOM 0 HG22 ILE A 84 2.643 -1.484 2.845 1.00 52.04 H new ATOM 0 HG23 ILE A 84 1.214 -0.426 2.779 1.00 52.04 H new ATOM 0 HD11 ILE A 84 1.212 0.965 -1.968 1.00 45.02 H new ATOM 0 HD12 ILE A 84 2.825 1.335 -1.315 1.00 45.02 H new ATOM 0 HD13 ILE A 84 2.407 -0.337 -1.758 1.00 45.02 H new ATOM 1386 N LYS A 85 4.037 0.574 4.102 1.00 64.54 N ATOM 1387 CA LYS A 85 4.856 0.164 5.255 1.00 43.50 C ATOM 1388 C LYS A 85 4.034 -0.772 6.171 1.00 25.33 C ATOM 1389 O LYS A 85 2.811 -0.683 6.220 1.00 15.34 O ATOM 1390 CB LYS A 85 5.293 1.489 5.985 1.00 5.12 C ATOM 1391 CG LYS A 85 6.173 1.368 7.262 1.00 64.43 C ATOM 1392 CD LYS A 85 5.374 1.106 8.562 1.00 73.04 C ATOM 1393 CE LYS A 85 6.255 1.106 9.820 1.00 70.40 C ATOM 1394 NZ LYS A 85 6.753 2.460 10.149 1.00 13.24 N ATOM 0 H LYS A 85 3.154 1.007 4.374 1.00 64.54 H new ATOM 0 HA LYS A 85 5.741 -0.398 4.957 1.00 43.50 H new ATOM 0 HB2 LYS A 85 5.834 2.103 5.265 1.00 5.12 H new ATOM 0 HB3 LYS A 85 4.389 2.035 6.254 1.00 5.12 H new ATOM 0 HG2 LYS A 85 6.890 0.559 7.120 1.00 64.43 H new ATOM 0 HG3 LYS A 85 6.748 2.286 7.381 1.00 64.43 H new ATOM 0 HD2 LYS A 85 4.601 1.868 8.667 1.00 73.04 H new ATOM 0 HD3 LYS A 85 4.865 0.145 8.482 1.00 73.04 H new ATOM 0 HE2 LYS A 85 5.684 0.715 10.662 1.00 70.40 H new ATOM 0 HE3 LYS A 85 7.101 0.435 9.670 1.00 70.40 H new ATOM 0 HZ1 LYS A 85 7.315 2.420 11.023 1.00 13.24 H new ATOM 0 HZ2 LYS A 85 7.348 2.810 9.371 1.00 13.24 H new ATOM 0 HZ3 LYS A 85 5.947 3.103 10.285 1.00 13.24 H new ATOM 1408 N MET A 86 4.721 -1.678 6.881 1.00 61.03 N ATOM 1409 CA MET A 86 4.147 -2.423 8.022 1.00 31.11 C ATOM 1410 C MET A 86 5.225 -2.589 9.103 1.00 35.34 C ATOM 1411 O MET A 86 6.428 -2.565 8.812 1.00 23.10 O ATOM 1412 CB MET A 86 3.577 -3.809 7.619 1.00 63.21 C ATOM 1413 CG MET A 86 4.524 -4.684 6.776 1.00 12.21 C ATOM 1414 SD MET A 86 4.282 -4.496 5.002 1.00 13.02 S ATOM 1415 CE MET A 86 2.631 -5.159 4.852 1.00 33.03 C ATOM 0 H MET A 86 5.692 -1.919 6.684 1.00 61.03 H new ATOM 0 HA MET A 86 3.306 -1.844 8.403 1.00 31.11 H new ATOM 0 HB2 MET A 86 3.314 -4.354 8.526 1.00 63.21 H new ATOM 0 HB3 MET A 86 2.654 -3.656 7.060 1.00 63.21 H new ATOM 0 HG2 MET A 86 5.555 -4.432 7.023 1.00 12.21 H new ATOM 0 HG3 MET A 86 4.377 -5.730 7.046 1.00 12.21 H new ATOM 0 HE1 MET A 86 2.586 -5.834 3.998 1.00 33.03 H new ATOM 0 HE2 MET A 86 2.374 -5.705 5.760 1.00 33.03 H new ATOM 0 HE3 MET A 86 1.923 -4.343 4.707 1.00 33.03 H new ATOM 1425 N SER A 87 4.789 -2.732 10.351 1.00 24.52 N ATOM 1426 CA SER A 87 5.694 -2.974 11.492 1.00 43.44 C ATOM 1427 C SER A 87 5.111 -4.038 12.421 1.00 33.42 C ATOM 1428 O SER A 87 3.887 -4.131 12.587 1.00 21.15 O ATOM 1429 CB SER A 87 5.958 -1.678 12.280 1.00 0.10 C ATOM 1430 OG SER A 87 6.768 -1.917 13.417 1.00 72.13 O ATOM 0 H SER A 87 3.803 -2.685 10.609 1.00 24.52 H new ATOM 0 HA SER A 87 6.643 -3.331 11.092 1.00 43.44 H new ATOM 0 HB2 SER A 87 6.445 -0.950 11.632 1.00 0.10 H new ATOM 0 HB3 SER A 87 5.009 -1.242 12.593 1.00 0.10 H new ATOM 0 HG SER A 87 6.918 -1.074 13.894 1.00 72.13 H new ATOM 1436 N TYR A 88 5.998 -4.821 13.043 1.00 31.21 N ATOM 1437 CA TYR A 88 5.613 -5.843 14.019 1.00 21.33 C ATOM 1438 C TYR A 88 5.697 -5.247 15.438 1.00 25.22 C ATOM 1439 O TYR A 88 6.780 -4.850 15.889 1.00 51.40 O ATOM 1440 CB TYR A 88 6.522 -7.098 13.900 1.00 51.21 C ATOM 1441 CG TYR A 88 6.161 -8.191 14.920 1.00 21.21 C ATOM 1442 CD1 TYR A 88 4.984 -8.922 14.782 1.00 63.01 C ATOM 1443 CD2 TYR A 88 6.963 -8.468 16.034 1.00 25.33 C ATOM 1444 CE1 TYR A 88 4.620 -9.875 15.700 1.00 1.14 C ATOM 1445 CE2 TYR A 88 6.599 -9.433 16.957 1.00 44.31 C ATOM 1446 CZ TYR A 88 5.425 -10.130 16.785 1.00 3.14 C ATOM 1447 OH TYR A 88 5.047 -11.083 17.701 1.00 4.14 O ATOM 0 H TYR A 88 7.004 -4.763 12.883 1.00 31.21 H new ATOM 0 HA TYR A 88 4.589 -6.157 13.817 1.00 21.33 H new ATOM 0 HB2 TYR A 88 6.441 -7.506 12.892 1.00 51.21 H new ATOM 0 HB3 TYR A 88 7.562 -6.803 14.042 1.00 51.21 H new ATOM 0 HD1 TYR A 88 4.343 -8.735 13.933 1.00 63.01 H new ATOM 0 HD2 TYR A 88 7.882 -7.919 16.175 1.00 25.33 H new ATOM 0 HE1 TYR A 88 3.700 -10.425 15.570 1.00 1.14 H new ATOM 0 HE2 TYR A 88 7.233 -9.638 17.807 1.00 44.31 H new ATOM 0 HH TYR A 88 5.724 -11.144 18.407 1.00 4.14 H new ATOM 1457 N ASN A 89 4.549 -5.163 16.121 1.00 55.24 N ATOM 1458 CA ASN A 89 4.503 -4.773 17.533 1.00 62.31 C ATOM 1459 C ASN A 89 4.867 -6.000 18.390 1.00 43.43 C ATOM 1460 O ASN A 89 4.135 -6.988 18.393 1.00 52.22 O ATOM 1461 CB ASN A 89 3.098 -4.245 17.921 1.00 24.51 C ATOM 1462 CG ASN A 89 2.576 -3.164 16.976 1.00 2.43 C ATOM 1463 OD1 ASN A 89 2.881 -1.989 17.128 1.00 0.25 O ATOM 1464 ND2 ASN A 89 1.758 -3.549 16.016 1.00 41.54 N ATOM 0 H ASN A 89 3.635 -5.362 15.714 1.00 55.24 H new ATOM 0 HA ASN A 89 5.216 -3.967 17.708 1.00 62.31 H new ATOM 0 HB2 ASN A 89 2.395 -5.078 17.933 1.00 24.51 H new ATOM 0 HB3 ASN A 89 3.135 -3.845 18.934 1.00 24.51 H new ATOM 0 HD21 ASN A 89 1.362 -2.860 15.377 1.00 41.54 H new ATOM 0 HD22 ASN A 89 1.521 -4.536 15.913 1.00 41.54 H new ATOM 1471 N GLU A 90 6.011 -5.952 19.083 1.00 71.42 N ATOM 1472 CA GLU A 90 6.460 -7.052 19.972 1.00 71.35 C ATOM 1473 C GLU A 90 5.671 -7.058 21.307 1.00 31.03 C ATOM 1474 O GLU A 90 5.580 -8.089 21.977 1.00 53.14 O ATOM 1475 CB GLU A 90 7.979 -6.917 20.246 1.00 23.14 C ATOM 1476 CG GLU A 90 8.853 -6.880 18.978 1.00 53.31 C ATOM 1477 CD GLU A 90 10.353 -6.761 19.294 1.00 71.01 C ATOM 1478 OE1 GLU A 90 10.827 -5.633 19.558 1.00 62.21 O ATOM 1479 OE2 GLU A 90 11.060 -7.792 19.294 1.00 24.05 O ATOM 0 H GLU A 90 6.653 -5.160 19.050 1.00 71.42 H new ATOM 0 HA GLU A 90 6.266 -7.999 19.468 1.00 71.35 H new ATOM 0 HB2 GLU A 90 8.153 -6.006 20.819 1.00 23.14 H new ATOM 0 HB3 GLU A 90 8.299 -7.752 20.869 1.00 23.14 H new ATOM 0 HG2 GLU A 90 8.679 -7.785 18.396 1.00 53.31 H new ATOM 0 HG3 GLU A 90 8.549 -6.038 18.357 1.00 53.31 H new ATOM 1486 N LEU A 91 5.101 -5.890 21.662 1.00 53.11 N ATOM 1487 CA LEU A 91 4.306 -5.692 22.892 1.00 72.41 C ATOM 1488 C LEU A 91 2.864 -6.234 22.742 1.00 32.14 C ATOM 1489 O LEU A 91 2.239 -6.634 23.731 1.00 74.21 O ATOM 1490 CB LEU A 91 4.276 -4.179 23.248 1.00 12.13 C ATOM 1491 CG LEU A 91 5.667 -3.523 23.544 1.00 73.24 C ATOM 1492 CD1 LEU A 91 5.545 -1.992 23.719 1.00 75.45 C ATOM 1493 CD2 LEU A 91 6.337 -4.179 24.774 1.00 71.32 C ATOM 0 H LEU A 91 5.180 -5.046 21.095 1.00 53.11 H new ATOM 0 HA LEU A 91 4.781 -6.254 23.696 1.00 72.41 H new ATOM 0 HB2 LEU A 91 3.809 -3.640 22.424 1.00 12.13 H new ATOM 0 HB3 LEU A 91 3.638 -4.043 24.121 1.00 12.13 H new ATOM 0 HG LEU A 91 6.308 -3.700 22.680 1.00 73.24 H new ATOM 0 HD11 LEU A 91 6.529 -1.570 23.923 1.00 75.45 H new ATOM 0 HD12 LEU A 91 5.144 -1.552 22.806 1.00 75.45 H new ATOM 0 HD13 LEU A 91 4.876 -1.773 24.552 1.00 75.45 H new ATOM 0 HD21 LEU A 91 7.301 -3.706 24.959 1.00 71.32 H new ATOM 0 HD22 LEU A 91 5.697 -4.052 25.648 1.00 71.32 H new ATOM 0 HD23 LEU A 91 6.485 -5.242 24.584 1.00 71.32 H new ATOM 1505 N THR A 92 2.335 -6.235 21.501 1.00 73.11 N ATOM 1506 CA THR A 92 0.934 -6.660 21.222 1.00 43.24 C ATOM 1507 C THR A 92 0.908 -8.031 20.504 1.00 43.11 C ATOM 1508 O THR A 92 -0.001 -8.843 20.710 1.00 74.14 O ATOM 1509 CB THR A 92 0.156 -5.607 20.346 1.00 62.03 C ATOM 1510 OG1 THR A 92 0.516 -5.723 18.966 1.00 63.22 O ATOM 1511 CG2 THR A 92 0.421 -4.159 20.793 1.00 50.54 C ATOM 0 H THR A 92 2.852 -5.947 20.670 1.00 73.11 H new ATOM 0 HA THR A 92 0.436 -6.739 22.188 1.00 43.24 H new ATOM 0 HB THR A 92 -0.903 -5.828 20.482 1.00 62.03 H new ATOM 0 HG1 THR A 92 0.019 -5.061 18.442 1.00 63.22 H new ATOM 0 HG21 THR A 92 -0.139 -3.474 20.157 1.00 50.54 H new ATOM 0 HG22 THR A 92 0.104 -4.034 21.828 1.00 50.54 H new ATOM 0 HG23 THR A 92 1.486 -3.942 20.711 1.00 50.54 H new ATOM 1519 N GLY A 93 1.933 -8.269 19.667 1.00 73.42 N ATOM 1520 CA GLY A 93 2.012 -9.466 18.808 1.00 52.41 C ATOM 1521 C GLY A 93 1.452 -9.243 17.395 1.00 2.01 C ATOM 1522 O GLY A 93 1.633 -10.082 16.514 1.00 72.31 O ATOM 0 H GLY A 93 2.729 -7.639 19.566 1.00 73.42 H new ATOM 0 HA2 GLY A 93 3.053 -9.781 18.732 1.00 52.41 H new ATOM 0 HA3 GLY A 93 1.466 -10.281 19.283 1.00 52.41 H new ATOM 1526 N ASP A 94 0.800 -8.091 17.181 1.00 73.32 N ATOM 1527 CA ASP A 94 0.047 -7.778 15.943 1.00 24.44 C ATOM 1528 C ASP A 94 0.851 -6.847 14.993 1.00 24.31 C ATOM 1529 O ASP A 94 1.999 -6.490 15.281 1.00 33.32 O ATOM 1530 CB ASP A 94 -1.297 -7.119 16.341 1.00 52.14 C ATOM 1531 CG ASP A 94 -2.065 -7.933 17.396 1.00 55.15 C ATOM 1532 OD1 ASP A 94 -2.637 -8.995 17.058 1.00 3.31 O ATOM 1533 OD2 ASP A 94 -2.073 -7.529 18.579 1.00 3.41 O ATOM 0 H ASP A 94 0.776 -7.337 17.867 1.00 73.32 H new ATOM 0 HA ASP A 94 -0.132 -8.704 15.396 1.00 24.44 H new ATOM 0 HB2 ASP A 94 -1.106 -6.118 16.728 1.00 52.14 H new ATOM 0 HB3 ASP A 94 -1.918 -7.004 15.453 1.00 52.14 H new ATOM 1538 N TYR A 95 0.228 -6.440 13.860 1.00 32.24 N ATOM 1539 CA TYR A 95 0.854 -5.530 12.858 1.00 1.15 C ATOM 1540 C TYR A 95 0.164 -4.151 12.792 1.00 32.31 C ATOM 1541 O TYR A 95 -1.067 -4.052 12.756 1.00 21.21 O ATOM 1542 CB TYR A 95 0.865 -6.190 11.441 1.00 51.14 C ATOM 1543 CG TYR A 95 2.090 -7.085 11.198 1.00 40.31 C ATOM 1544 CD1 TYR A 95 2.252 -8.302 11.861 1.00 23.35 C ATOM 1545 CD2 TYR A 95 3.098 -6.687 10.316 1.00 10.22 C ATOM 1546 CE1 TYR A 95 3.375 -9.084 11.655 1.00 75.20 C ATOM 1547 CE2 TYR A 95 4.216 -7.466 10.105 1.00 44.33 C ATOM 1548 CZ TYR A 95 4.354 -8.664 10.777 1.00 43.52 C ATOM 1549 OH TYR A 95 5.467 -9.453 10.560 1.00 20.12 O ATOM 0 H TYR A 95 -0.718 -6.729 13.612 1.00 32.24 H new ATOM 0 HA TYR A 95 1.879 -5.364 13.189 1.00 1.15 H new ATOM 0 HB2 TYR A 95 -0.041 -6.784 11.317 1.00 51.14 H new ATOM 0 HB3 TYR A 95 0.839 -5.407 10.683 1.00 51.14 H new ATOM 0 HD1 TYR A 95 1.488 -8.639 12.546 1.00 23.35 H new ATOM 0 HD2 TYR A 95 2.999 -5.750 9.789 1.00 10.22 H new ATOM 0 HE1 TYR A 95 3.485 -10.021 12.180 1.00 75.20 H new ATOM 0 HE2 TYR A 95 4.981 -7.140 9.416 1.00 44.33 H new ATOM 0 HH TYR A 95 6.058 -9.014 9.914 1.00 20.12 H new ATOM 1559 N VAL A 96 0.986 -3.082 12.762 1.00 12.12 N ATOM 1560 CA VAL A 96 0.529 -1.721 12.427 1.00 11.51 C ATOM 1561 C VAL A 96 0.902 -1.415 10.950 1.00 54.33 C ATOM 1562 O VAL A 96 2.080 -1.363 10.571 1.00 42.52 O ATOM 1563 CB VAL A 96 1.091 -0.629 13.424 1.00 13.51 C ATOM 1564 CG1 VAL A 96 2.631 -0.677 13.553 1.00 2.23 C ATOM 1565 CG2 VAL A 96 0.594 0.791 13.028 1.00 42.52 C ATOM 0 H VAL A 96 1.983 -3.139 12.969 1.00 12.12 H new ATOM 0 HA VAL A 96 -0.554 -1.678 12.538 1.00 11.51 H new ATOM 0 HB VAL A 96 0.695 -0.865 14.412 1.00 13.51 H new ATOM 0 HG11 VAL A 96 2.962 0.094 14.249 1.00 2.23 H new ATOM 0 HG12 VAL A 96 2.935 -1.656 13.924 1.00 2.23 H new ATOM 0 HG13 VAL A 96 3.084 -0.503 12.577 1.00 2.23 H new ATOM 0 HG21 VAL A 96 0.994 1.525 13.728 1.00 42.52 H new ATOM 0 HG22 VAL A 96 0.935 1.028 12.020 1.00 42.52 H new ATOM 0 HG23 VAL A 96 -0.495 0.817 13.058 1.00 42.52 H new ATOM 1575 N LEU A 97 -0.134 -1.270 10.124 1.00 33.21 N ATOM 1576 CA LEU A 97 -0.020 -1.070 8.668 1.00 53.45 C ATOM 1577 C LEU A 97 -0.148 0.424 8.338 1.00 1.22 C ATOM 1578 O LEU A 97 -1.070 1.072 8.802 1.00 45.04 O ATOM 1579 CB LEU A 97 -1.147 -1.878 7.980 1.00 41.23 C ATOM 1580 CG LEU A 97 -1.100 -1.966 6.431 1.00 51.51 C ATOM 1581 CD1 LEU A 97 0.203 -2.634 5.947 1.00 44.33 C ATOM 1582 CD2 LEU A 97 -2.342 -2.705 5.887 1.00 32.32 C ATOM 0 H LEU A 97 -1.100 -1.288 10.450 1.00 33.21 H new ATOM 0 HA LEU A 97 0.950 -1.414 8.310 1.00 53.45 H new ATOM 0 HB2 LEU A 97 -1.130 -2.892 8.379 1.00 41.23 H new ATOM 0 HB3 LEU A 97 -2.103 -1.439 8.266 1.00 41.23 H new ATOM 0 HG LEU A 97 -1.112 -0.950 6.037 1.00 51.51 H new ATOM 0 HD11 LEU A 97 0.205 -2.681 4.858 1.00 44.33 H new ATOM 0 HD12 LEU A 97 1.059 -2.051 6.287 1.00 44.33 H new ATOM 0 HD13 LEU A 97 0.267 -3.643 6.353 1.00 44.33 H new ATOM 0 HD21 LEU A 97 -2.288 -2.755 4.799 1.00 32.32 H new ATOM 0 HD22 LEU A 97 -2.372 -3.715 6.296 1.00 32.32 H new ATOM 0 HD23 LEU A 97 -3.243 -2.167 6.181 1.00 32.32 H new ATOM 1594 N GLU A 98 0.788 0.969 7.551 1.00 41.34 N ATOM 1595 CA GLU A 98 0.800 2.403 7.190 1.00 11.20 C ATOM 1596 C GLU A 98 0.958 2.599 5.654 1.00 1.35 C ATOM 1597 O GLU A 98 2.041 2.413 5.106 1.00 51.31 O ATOM 1598 CB GLU A 98 1.949 3.132 7.945 1.00 61.44 C ATOM 1599 CG GLU A 98 1.866 3.093 9.488 1.00 52.01 C ATOM 1600 CD GLU A 98 2.892 4.019 10.171 1.00 3.14 C ATOM 1601 OE1 GLU A 98 2.579 5.207 10.401 1.00 55.12 O ATOM 1602 OE2 GLU A 98 4.019 3.578 10.469 1.00 0.52 O ATOM 0 H GLU A 98 1.557 0.436 7.145 1.00 41.34 H new ATOM 0 HA GLU A 98 -0.156 2.834 7.486 1.00 11.20 H new ATOM 0 HB2 GLU A 98 2.898 2.691 7.639 1.00 61.44 H new ATOM 0 HB3 GLU A 98 1.965 4.174 7.626 1.00 61.44 H new ATOM 0 HG2 GLU A 98 0.862 3.380 9.800 1.00 52.01 H new ATOM 0 HG3 GLU A 98 2.025 2.070 9.829 1.00 52.01 H new ATOM 1609 N ILE A 99 -0.131 3.003 4.976 1.00 35.44 N ATOM 1610 CA ILE A 99 -0.120 3.365 3.535 1.00 61.34 C ATOM 1611 C ILE A 99 0.075 4.893 3.401 1.00 42.42 C ATOM 1612 O ILE A 99 -0.506 5.673 4.162 1.00 70.15 O ATOM 1613 CB ILE A 99 -1.465 2.906 2.794 1.00 51.25 C ATOM 1614 CG1 ILE A 99 -1.462 1.370 2.464 1.00 75.43 C ATOM 1615 CG2 ILE A 99 -1.745 3.718 1.492 1.00 23.33 C ATOM 1616 CD1 ILE A 99 -1.412 0.434 3.652 1.00 21.34 C ATOM 0 H ILE A 99 -1.051 3.090 5.408 1.00 35.44 H new ATOM 0 HA ILE A 99 0.705 2.840 3.053 1.00 61.34 H new ATOM 0 HB ILE A 99 -2.268 3.113 3.501 1.00 51.25 H new ATOM 0 HG12 ILE A 99 -2.357 1.142 1.885 1.00 75.43 H new ATOM 0 HG13 ILE A 99 -0.605 1.158 1.824 1.00 75.43 H new ATOM 0 HG21 ILE A 99 -2.668 3.363 1.033 1.00 23.33 H new ATOM 0 HG22 ILE A 99 -1.844 4.775 1.737 1.00 23.33 H new ATOM 0 HG23 ILE A 99 -0.918 3.583 0.794 1.00 23.33 H new ATOM 0 HD11 ILE A 99 -1.414 -0.598 3.302 1.00 21.34 H new ATOM 0 HD12 ILE A 99 -0.504 0.621 4.225 1.00 21.34 H new ATOM 0 HD13 ILE A 99 -2.282 0.604 4.286 1.00 21.34 H new ATOM 1628 N THR A 100 0.925 5.311 2.460 1.00 51.13 N ATOM 1629 CA THR A 100 1.096 6.727 2.104 1.00 4.35 C ATOM 1630 C THR A 100 0.539 6.972 0.691 1.00 3.20 C ATOM 1631 O THR A 100 1.173 6.629 -0.320 1.00 22.01 O ATOM 1632 CB THR A 100 2.592 7.153 2.182 1.00 55.43 C ATOM 1633 OG1 THR A 100 3.109 6.893 3.503 1.00 51.41 O ATOM 1634 CG2 THR A 100 2.800 8.637 1.842 1.00 71.14 C ATOM 0 H THR A 100 1.516 4.678 1.921 1.00 51.13 H new ATOM 0 HA THR A 100 0.544 7.334 2.821 1.00 4.35 H new ATOM 0 HB THR A 100 3.130 6.563 1.439 1.00 55.43 H new ATOM 0 HG1 THR A 100 4.015 6.526 3.433 1.00 51.41 H new ATOM 0 HG21 THR A 100 3.860 8.881 1.912 1.00 71.14 H new ATOM 0 HG22 THR A 100 2.449 8.831 0.829 1.00 71.14 H new ATOM 0 HG23 THR A 100 2.239 9.253 2.544 1.00 71.14 H new ATOM 1642 N ASP A 101 -0.675 7.517 0.644 1.00 3.34 N ATOM 1643 CA ASP A 101 -1.364 7.899 -0.599 1.00 55.05 C ATOM 1644 C ASP A 101 -1.272 9.438 -0.764 1.00 42.02 C ATOM 1645 O ASP A 101 -1.148 10.166 0.230 1.00 2.10 O ATOM 1646 CB ASP A 101 -2.840 7.421 -0.495 1.00 2.03 C ATOM 1647 CG ASP A 101 -3.659 7.582 -1.788 1.00 61.50 C ATOM 1648 OD1 ASP A 101 -4.113 8.707 -2.091 1.00 3.35 O ATOM 1649 OD2 ASP A 101 -3.882 6.574 -2.490 1.00 52.14 O ATOM 0 H ASP A 101 -1.223 7.712 1.482 1.00 3.34 H new ATOM 0 HA ASP A 101 -0.906 7.437 -1.473 1.00 55.05 H new ATOM 0 HB2 ASP A 101 -2.848 6.371 -0.204 1.00 2.03 H new ATOM 0 HB3 ASP A 101 -3.333 7.977 0.303 1.00 2.03 H new ATOM 1654 N PHE A 102 -1.297 9.934 -2.011 1.00 14.42 N ATOM 1655 CA PHE A 102 -1.321 11.389 -2.293 1.00 62.32 C ATOM 1656 C PHE A 102 -2.614 11.774 -3.036 1.00 23.11 C ATOM 1657 O PHE A 102 -2.874 11.309 -4.149 1.00 63.55 O ATOM 1658 CB PHE A 102 -0.055 11.824 -3.094 1.00 64.43 C ATOM 1659 CG PHE A 102 1.178 12.064 -2.218 1.00 42.22 C ATOM 1660 CD1 PHE A 102 1.875 11.001 -1.658 1.00 61.23 C ATOM 1661 CD2 PHE A 102 1.620 13.360 -1.932 1.00 40.24 C ATOM 1662 CE1 PHE A 102 2.973 11.214 -0.848 1.00 12.03 C ATOM 1663 CE2 PHE A 102 2.717 13.572 -1.118 1.00 21.23 C ATOM 1664 CZ PHE A 102 3.395 12.498 -0.577 1.00 4.22 C ATOM 0 H PHE A 102 -1.301 9.351 -2.848 1.00 14.42 H new ATOM 0 HA PHE A 102 -1.307 11.923 -1.343 1.00 62.32 H new ATOM 0 HB2 PHE A 102 0.179 11.056 -3.831 1.00 64.43 H new ATOM 0 HB3 PHE A 102 -0.281 12.737 -3.645 1.00 64.43 H new ATOM 0 HD1 PHE A 102 1.553 9.990 -1.860 1.00 61.23 H new ATOM 0 HD2 PHE A 102 1.097 14.206 -2.353 1.00 40.24 H new ATOM 0 HE1 PHE A 102 3.502 10.373 -0.426 1.00 12.03 H new ATOM 0 HE2 PHE A 102 3.044 14.579 -0.905 1.00 21.23 H new ATOM 0 HZ PHE A 102 4.254 12.663 0.057 1.00 4.22 H new ATOM 1674 N SER A 103 -3.399 12.644 -2.394 1.00 2.14 N ATOM 1675 CA SER A 103 -4.663 13.183 -2.923 1.00 34.15 C ATOM 1676 C SER A 103 -4.788 14.658 -2.531 1.00 73.13 C ATOM 1677 O SER A 103 -4.218 15.081 -1.527 1.00 24.32 O ATOM 1678 CB SER A 103 -5.874 12.401 -2.352 1.00 41.24 C ATOM 1679 OG SER A 103 -5.836 11.034 -2.724 1.00 52.31 O ATOM 0 H SER A 103 -3.170 13.005 -1.468 1.00 2.14 H new ATOM 0 HA SER A 103 -4.658 13.081 -4.008 1.00 34.15 H new ATOM 0 HB2 SER A 103 -5.880 12.483 -1.265 1.00 41.24 H new ATOM 0 HB3 SER A 103 -6.800 12.851 -2.711 1.00 41.24 H new ATOM 0 HG SER A 103 -5.072 10.598 -2.291 1.00 52.31 H new ATOM 1685 N GLU A 104 -5.541 15.438 -3.323 1.00 11.34 N ATOM 1686 CA GLU A 104 -5.840 16.848 -3.005 1.00 72.20 C ATOM 1687 C GLU A 104 -6.567 16.978 -1.638 1.00 24.23 C ATOM 1688 O GLU A 104 -7.249 16.041 -1.201 1.00 65.12 O ATOM 1689 CB GLU A 104 -6.725 17.476 -4.124 1.00 54.44 C ATOM 1690 CG GLU A 104 -6.065 17.573 -5.527 1.00 2.54 C ATOM 1691 CD GLU A 104 -4.835 18.504 -5.614 1.00 54.13 C ATOM 1692 OE1 GLU A 104 -4.596 19.314 -4.696 1.00 2.12 O ATOM 1693 OE2 GLU A 104 -4.091 18.427 -6.611 1.00 34.11 O ATOM 0 H GLU A 104 -5.958 15.114 -4.196 1.00 11.34 H new ATOM 0 HA GLU A 104 -4.892 17.382 -2.944 1.00 72.20 H new ATOM 0 HB2 GLU A 104 -7.639 16.889 -4.212 1.00 54.44 H new ATOM 0 HB3 GLU A 104 -7.019 18.478 -3.811 1.00 54.44 H new ATOM 0 HG2 GLU A 104 -5.766 16.573 -5.840 1.00 2.54 H new ATOM 0 HG3 GLU A 104 -6.814 17.919 -6.240 1.00 2.54 H new ATOM 1700 N ALA A 105 -6.409 18.130 -0.957 1.00 31.52 N ATOM 1701 CA ALA A 105 -7.221 18.450 0.253 1.00 0.42 C ATOM 1702 C ALA A 105 -8.741 18.492 -0.083 1.00 62.32 C ATOM 1703 O ALA A 105 -9.589 18.220 0.772 1.00 5.20 O ATOM 1704 CB ALA A 105 -6.762 19.777 0.877 1.00 12.34 C ATOM 0 H ALA A 105 -5.737 18.853 -1.214 1.00 31.52 H new ATOM 0 HA ALA A 105 -7.065 17.655 0.983 1.00 0.42 H new ATOM 0 HB1 ALA A 105 -7.366 19.993 1.758 1.00 12.34 H new ATOM 0 HB2 ALA A 105 -5.714 19.700 1.166 1.00 12.34 H new ATOM 0 HB3 ALA A 105 -6.880 20.581 0.150 1.00 12.34 H new ATOM 1710 N ASP A 106 -9.041 18.824 -1.354 1.00 43.43 N ATOM 1711 CA ASP A 106 -10.408 18.808 -1.929 1.00 71.24 C ATOM 1712 C ASP A 106 -10.991 17.360 -2.020 1.00 14.11 C ATOM 1713 O ASP A 106 -12.207 17.171 -2.046 1.00 74.00 O ATOM 1714 CB ASP A 106 -10.353 19.478 -3.325 1.00 52.43 C ATOM 1715 CG ASP A 106 -11.735 19.838 -3.891 1.00 23.01 C ATOM 1716 OD1 ASP A 106 -12.291 20.887 -3.494 1.00 61.21 O ATOM 1717 OD2 ASP A 106 -12.261 19.092 -4.735 1.00 64.24 O ATOM 0 H ASP A 106 -8.330 19.116 -2.025 1.00 43.43 H new ATOM 0 HA ASP A 106 -11.079 19.362 -1.273 1.00 71.24 H new ATOM 0 HB2 ASP A 106 -9.749 20.383 -3.260 1.00 52.43 H new ATOM 0 HB3 ASP A 106 -9.848 18.807 -4.021 1.00 52.43 H new ATOM 1722 N GLU A 107 -10.095 16.359 -2.046 1.00 54.41 N ATOM 1723 CA GLU A 107 -10.450 14.913 -2.134 1.00 3.45 C ATOM 1724 C GLU A 107 -10.320 14.205 -0.765 1.00 34.22 C ATOM 1725 O GLU A 107 -10.826 13.090 -0.584 1.00 11.54 O ATOM 1726 CB GLU A 107 -9.501 14.225 -3.157 1.00 72.51 C ATOM 1727 CG GLU A 107 -9.587 14.785 -4.592 1.00 33.13 C ATOM 1728 CD GLU A 107 -10.916 14.462 -5.298 1.00 53.40 C ATOM 1729 OE1 GLU A 107 -11.048 13.345 -5.849 1.00 42.34 O ATOM 1730 OE2 GLU A 107 -11.824 15.317 -5.315 1.00 11.11 O ATOM 0 H GLU A 107 -9.089 16.522 -2.007 1.00 54.41 H new ATOM 0 HA GLU A 107 -11.489 14.836 -2.454 1.00 3.45 H new ATOM 0 HB2 GLU A 107 -8.475 14.324 -2.804 1.00 72.51 H new ATOM 0 HB3 GLU A 107 -9.728 13.159 -3.183 1.00 72.51 H new ATOM 0 HG2 GLU A 107 -9.455 15.867 -4.560 1.00 33.13 H new ATOM 0 HG3 GLU A 107 -8.764 14.381 -5.181 1.00 33.13 H new ATOM 1737 N ALA A 108 -9.672 14.885 0.196 1.00 42.34 N ATOM 1738 CA ALA A 108 -9.215 14.276 1.468 1.00 42.03 C ATOM 1739 C ALA A 108 -10.370 13.759 2.360 1.00 54.54 C ATOM 1740 O ALA A 108 -10.194 12.774 3.073 1.00 70.24 O ATOM 1741 CB ALA A 108 -8.351 15.276 2.240 1.00 15.03 C ATOM 0 H ALA A 108 -9.447 15.877 0.117 1.00 42.34 H new ATOM 0 HA ALA A 108 -8.626 13.398 1.201 1.00 42.03 H new ATOM 0 HB1 ALA A 108 -8.018 14.824 3.174 1.00 15.03 H new ATOM 0 HB2 ALA A 108 -7.484 15.548 1.639 1.00 15.03 H new ATOM 0 HB3 ALA A 108 -8.936 16.170 2.458 1.00 15.03 H new ATOM 1747 N ASP A 109 -11.544 14.423 2.304 1.00 42.43 N ATOM 1748 CA ASP A 109 -12.721 14.061 3.142 1.00 44.52 C ATOM 1749 C ASP A 109 -13.202 12.615 2.884 1.00 22.44 C ATOM 1750 O ASP A 109 -13.426 11.858 3.827 1.00 63.23 O ATOM 1751 CB ASP A 109 -13.890 15.033 2.886 1.00 30.10 C ATOM 1752 CG ASP A 109 -13.518 16.489 3.160 1.00 61.40 C ATOM 1753 OD1 ASP A 109 -13.546 16.910 4.336 1.00 12.43 O ATOM 1754 OD2 ASP A 109 -13.181 17.214 2.203 1.00 61.31 O ATOM 0 H ASP A 109 -11.708 15.217 1.686 1.00 42.43 H new ATOM 0 HA ASP A 109 -12.397 14.133 4.180 1.00 44.52 H new ATOM 0 HB2 ASP A 109 -14.218 14.935 1.851 1.00 30.10 H new ATOM 0 HB3 ASP A 109 -14.734 14.753 3.516 1.00 30.10 H new ATOM 1759 N ASP A 110 -13.346 12.260 1.595 1.00 22.52 N ATOM 1760 CA ASP A 110 -13.813 10.922 1.167 1.00 53.35 C ATOM 1761 C ASP A 110 -12.789 9.819 1.552 1.00 20.43 C ATOM 1762 O ASP A 110 -13.162 8.714 1.965 1.00 1.14 O ATOM 1763 CB ASP A 110 -14.067 10.941 -0.361 1.00 40.13 C ATOM 1764 CG ASP A 110 -14.619 9.609 -0.894 1.00 42.42 C ATOM 1765 OD1 ASP A 110 -15.846 9.385 -0.816 1.00 13.13 O ATOM 1766 OD2 ASP A 110 -13.830 8.767 -1.360 1.00 35.24 O ATOM 0 H ASP A 110 -13.143 12.889 0.818 1.00 22.52 H new ATOM 0 HA ASP A 110 -14.744 10.685 1.683 1.00 53.35 H new ATOM 0 HB2 ASP A 110 -14.770 11.740 -0.597 1.00 40.13 H new ATOM 0 HB3 ASP A 110 -13.135 11.174 -0.876 1.00 40.13 H new ATOM 1771 N LEU A 111 -11.499 10.146 1.407 1.00 32.23 N ATOM 1772 CA LEU A 111 -10.377 9.239 1.744 1.00 45.54 C ATOM 1773 C LEU A 111 -10.295 8.964 3.265 1.00 32.34 C ATOM 1774 O LEU A 111 -10.106 7.822 3.688 1.00 4.01 O ATOM 1775 CB LEU A 111 -9.044 9.832 1.195 1.00 42.33 C ATOM 1776 CG LEU A 111 -8.713 9.539 -0.312 1.00 61.22 C ATOM 1777 CD1 LEU A 111 -8.399 8.041 -0.529 1.00 34.11 C ATOM 1778 CD2 LEU A 111 -9.833 10.020 -1.266 1.00 23.32 C ATOM 0 H LEU A 111 -11.195 11.052 1.051 1.00 32.23 H new ATOM 0 HA LEU A 111 -10.555 8.275 1.267 1.00 45.54 H new ATOM 0 HB2 LEU A 111 -9.069 10.913 1.335 1.00 42.33 H new ATOM 0 HB3 LEU A 111 -8.225 9.450 1.804 1.00 42.33 H new ATOM 0 HG LEU A 111 -7.821 10.114 -0.559 1.00 61.22 H new ATOM 0 HD11 LEU A 111 -8.173 7.865 -1.581 1.00 34.11 H new ATOM 0 HD12 LEU A 111 -7.540 7.758 0.079 1.00 34.11 H new ATOM 0 HD13 LEU A 111 -9.262 7.442 -0.238 1.00 34.11 H new ATOM 0 HD21 LEU A 111 -9.556 9.794 -2.296 1.00 23.32 H new ATOM 0 HD22 LEU A 111 -10.764 9.509 -1.021 1.00 23.32 H new ATOM 0 HD23 LEU A 111 -9.969 11.096 -1.154 1.00 23.32 H new ATOM 1790 N LYS A 112 -10.458 10.026 4.074 1.00 11.25 N ATOM 1791 CA LYS A 112 -10.453 9.934 5.559 1.00 20.13 C ATOM 1792 C LYS A 112 -11.734 9.268 6.094 1.00 54.33 C ATOM 1793 O LYS A 112 -11.708 8.636 7.149 1.00 70.23 O ATOM 1794 CB LYS A 112 -10.280 11.338 6.200 1.00 32.13 C ATOM 1795 CG LYS A 112 -8.924 12.021 5.912 1.00 72.21 C ATOM 1796 CD LYS A 112 -7.713 11.195 6.411 1.00 40.12 C ATOM 1797 CE LYS A 112 -6.376 11.924 6.210 1.00 13.32 C ATOM 1798 NZ LYS A 112 -6.326 13.212 6.954 1.00 62.00 N ATOM 0 H LYS A 112 -10.597 10.974 3.725 1.00 11.25 H new ATOM 0 HA LYS A 112 -9.605 9.309 5.838 1.00 20.13 H new ATOM 0 HB2 LYS A 112 -11.080 11.986 5.842 1.00 32.13 H new ATOM 0 HB3 LYS A 112 -10.402 11.246 7.279 1.00 32.13 H new ATOM 0 HG2 LYS A 112 -8.827 12.186 4.839 1.00 72.21 H new ATOM 0 HG3 LYS A 112 -8.909 13.002 6.388 1.00 72.21 H new ATOM 0 HD2 LYS A 112 -7.844 10.969 7.469 1.00 40.12 H new ATOM 0 HD3 LYS A 112 -7.686 10.242 5.883 1.00 40.12 H new ATOM 0 HE2 LYS A 112 -5.560 11.282 6.541 1.00 13.32 H new ATOM 0 HE3 LYS A 112 -6.222 12.113 5.148 1.00 13.32 H new ATOM 0 HZ1 LYS A 112 -5.347 13.563 6.975 1.00 62.00 H new ATOM 0 HZ2 LYS A 112 -6.934 13.910 6.480 1.00 62.00 H new ATOM 0 HZ3 LYS A 112 -6.662 13.064 7.927 1.00 62.00 H new ATOM 1812 N GLU A 113 -12.852 9.452 5.373 1.00 34.24 N ATOM 1813 CA GLU A 113 -14.146 8.818 5.710 1.00 73.13 C ATOM 1814 C GLU A 113 -14.069 7.288 5.517 1.00 20.13 C ATOM 1815 O GLU A 113 -14.493 6.523 6.384 1.00 15.35 O ATOM 1816 CB GLU A 113 -15.279 9.398 4.826 1.00 34.21 C ATOM 1817 CG GLU A 113 -16.689 8.880 5.172 1.00 61.45 C ATOM 1818 CD GLU A 113 -17.763 9.357 4.183 1.00 11.15 C ATOM 1819 OE1 GLU A 113 -18.317 10.462 4.375 1.00 74.11 O ATOM 1820 OE2 GLU A 113 -18.043 8.637 3.196 1.00 55.54 O ATOM 0 H GLU A 113 -12.889 10.042 4.542 1.00 34.24 H new ATOM 0 HA GLU A 113 -14.365 9.031 6.756 1.00 73.13 H new ATOM 0 HB2 GLU A 113 -15.273 10.484 4.916 1.00 34.21 H new ATOM 0 HB3 GLU A 113 -15.065 9.163 3.783 1.00 34.21 H new ATOM 0 HG2 GLU A 113 -16.676 7.790 5.188 1.00 61.45 H new ATOM 0 HG3 GLU A 113 -16.955 9.210 6.176 1.00 61.45 H new ATOM 1827 N LEU A 114 -13.510 6.869 4.364 1.00 43.40 N ATOM 1828 CA LEU A 114 -13.306 5.440 4.032 1.00 74.11 C ATOM 1829 C LEU A 114 -12.312 4.799 5.026 1.00 51.21 C ATOM 1830 O LEU A 114 -12.530 3.680 5.502 1.00 32.44 O ATOM 1831 CB LEU A 114 -12.818 5.305 2.554 1.00 3.22 C ATOM 1832 CG LEU A 114 -12.778 3.853 1.933 1.00 73.33 C ATOM 1833 CD1 LEU A 114 -13.031 3.879 0.406 1.00 34.14 C ATOM 1834 CD2 LEU A 114 -11.446 3.110 2.238 1.00 14.11 C ATOM 0 H LEU A 114 -13.187 7.508 3.637 1.00 43.40 H new ATOM 0 HA LEU A 114 -14.251 4.905 4.123 1.00 74.11 H new ATOM 0 HB2 LEU A 114 -13.463 5.922 1.928 1.00 3.22 H new ATOM 0 HB3 LEU A 114 -11.815 5.727 2.490 1.00 3.22 H new ATOM 0 HG LEU A 114 -13.585 3.299 2.413 1.00 73.33 H new ATOM 0 HD11 LEU A 114 -12.996 2.863 0.014 1.00 34.14 H new ATOM 0 HD12 LEU A 114 -14.012 4.311 0.207 1.00 34.14 H new ATOM 0 HD13 LEU A 114 -12.264 4.482 -0.080 1.00 34.14 H new ATOM 0 HD21 LEU A 114 -11.472 2.117 1.788 1.00 14.11 H new ATOM 0 HD22 LEU A 114 -10.611 3.675 1.823 1.00 14.11 H new ATOM 0 HD23 LEU A 114 -11.320 3.016 3.317 1.00 14.11 H new ATOM 1846 N TRP A 115 -11.231 5.540 5.332 1.00 43.11 N ATOM 1847 CA TRP A 115 -10.207 5.131 6.315 1.00 35.14 C ATOM 1848 C TRP A 115 -10.828 4.905 7.717 1.00 33.43 C ATOM 1849 O TRP A 115 -10.606 3.868 8.326 1.00 51.03 O ATOM 1850 CB TRP A 115 -9.081 6.195 6.376 1.00 32.31 C ATOM 1851 CG TRP A 115 -7.990 5.909 7.383 1.00 1.30 C ATOM 1852 CD1 TRP A 115 -7.348 4.719 7.582 1.00 24.41 C ATOM 1853 CD2 TRP A 115 -7.401 6.835 8.308 1.00 33.43 C ATOM 1854 NE1 TRP A 115 -6.434 4.842 8.587 1.00 31.30 N ATOM 1855 CE2 TRP A 115 -6.439 6.129 9.045 1.00 52.42 C ATOM 1856 CE3 TRP A 115 -7.603 8.187 8.586 1.00 63.24 C ATOM 1857 CZ2 TRP A 115 -5.673 6.726 10.044 1.00 12.52 C ATOM 1858 CZ3 TRP A 115 -6.841 8.783 9.574 1.00 43.15 C ATOM 1859 CH2 TRP A 115 -5.885 8.052 10.293 1.00 25.52 C ATOM 0 H TRP A 115 -11.041 6.445 4.902 1.00 43.11 H new ATOM 0 HA TRP A 115 -9.780 4.182 5.992 1.00 35.14 H new ATOM 0 HB2 TRP A 115 -8.630 6.282 5.388 1.00 32.31 H new ATOM 0 HB3 TRP A 115 -9.527 7.162 6.610 1.00 32.31 H new ATOM 0 HD1 TRP A 115 -7.537 3.813 7.025 1.00 24.41 H new ATOM 0 HE1 TRP A 115 -5.841 4.092 8.941 1.00 31.30 H new ATOM 0 HE3 TRP A 115 -8.340 8.757 8.040 1.00 63.24 H new ATOM 0 HZ2 TRP A 115 -4.939 6.162 10.600 1.00 12.52 H new ATOM 0 HZ3 TRP A 115 -6.985 9.830 9.796 1.00 43.15 H new ATOM 0 HH2 TRP A 115 -5.305 8.547 11.058 1.00 25.52 H new ATOM 1870 N ASP A 116 -11.626 5.881 8.187 1.00 1.54 N ATOM 1871 CA ASP A 116 -12.315 5.818 9.499 1.00 14.23 C ATOM 1872 C ASP A 116 -13.314 4.634 9.558 1.00 72.35 C ATOM 1873 O ASP A 116 -13.383 3.919 10.559 1.00 43.13 O ATOM 1874 CB ASP A 116 -13.027 7.165 9.783 1.00 71.51 C ATOM 1875 CG ASP A 116 -13.785 7.181 11.122 1.00 71.34 C ATOM 1876 OD1 ASP A 116 -13.130 7.164 12.182 1.00 25.53 O ATOM 1877 OD2 ASP A 116 -15.032 7.199 11.121 1.00 32.42 O ATOM 0 H ASP A 116 -11.815 6.740 7.670 1.00 1.54 H new ATOM 0 HA ASP A 116 -11.568 5.645 10.274 1.00 14.23 H new ATOM 0 HB2 ASP A 116 -12.288 7.966 9.782 1.00 71.51 H new ATOM 0 HB3 ASP A 116 -13.727 7.376 8.974 1.00 71.51 H new ATOM 1882 N SER A 117 -14.057 4.433 8.458 1.00 74.34 N ATOM 1883 CA SER A 117 -15.020 3.313 8.320 1.00 20.52 C ATOM 1884 C SER A 117 -14.299 1.937 8.318 1.00 11.11 C ATOM 1885 O SER A 117 -14.862 0.934 8.771 1.00 52.15 O ATOM 1886 CB SER A 117 -15.865 3.483 7.032 1.00 74.05 C ATOM 1887 OG SER A 117 -16.672 4.653 7.083 1.00 41.13 O ATOM 0 H SER A 117 -14.012 5.037 7.637 1.00 74.34 H new ATOM 0 HA SER A 117 -15.684 3.338 9.184 1.00 20.52 H new ATOM 0 HB2 SER A 117 -15.204 3.534 6.167 1.00 74.05 H new ATOM 0 HB3 SER A 117 -16.501 2.608 6.896 1.00 74.05 H new ATOM 0 HG SER A 117 -16.124 5.438 6.874 1.00 41.13 H new ATOM 1893 N GLN A 118 -13.053 1.899 7.798 1.00 43.23 N ATOM 1894 CA GLN A 118 -12.212 0.676 7.804 1.00 41.22 C ATOM 1895 C GLN A 118 -11.572 0.413 9.184 1.00 42.22 C ATOM 1896 O GLN A 118 -11.543 -0.724 9.633 1.00 21.43 O ATOM 1897 CB GLN A 118 -11.118 0.736 6.697 1.00 55.54 C ATOM 1898 CG GLN A 118 -11.642 0.539 5.260 1.00 45.45 C ATOM 1899 CD GLN A 118 -12.395 -0.786 5.076 1.00 64.55 C ATOM 1900 OE1 GLN A 118 -13.615 -0.855 5.193 1.00 30.34 O ATOM 1901 NE2 GLN A 118 -11.667 -1.861 4.848 1.00 32.42 N ATOM 0 H GLN A 118 -12.603 2.706 7.365 1.00 43.23 H new ATOM 0 HA GLN A 118 -12.877 -0.160 7.588 1.00 41.22 H new ATOM 0 HB2 GLN A 118 -10.614 1.700 6.756 1.00 55.54 H new ATOM 0 HB3 GLN A 118 -10.369 -0.029 6.904 1.00 55.54 H new ATOM 0 HG2 GLN A 118 -12.304 1.366 5.003 1.00 45.45 H new ATOM 0 HG3 GLN A 118 -10.803 0.574 4.565 1.00 45.45 H new ATOM 0 HE21 GLN A 118 -10.655 -1.781 4.754 1.00 32.42 H new ATOM 0 HE22 GLN A 118 -12.116 -2.773 4.765 1.00 32.42 H new ATOM 1910 N VAL A 119 -11.068 1.468 9.847 1.00 43.33 N ATOM 1911 CA VAL A 119 -10.404 1.348 11.167 1.00 11.10 C ATOM 1912 C VAL A 119 -11.415 0.892 12.242 1.00 22.51 C ATOM 1913 O VAL A 119 -11.130 -0.030 13.001 1.00 14.33 O ATOM 1914 CB VAL A 119 -9.694 2.694 11.585 1.00 74.31 C ATOM 1915 CG1 VAL A 119 -9.177 2.656 13.050 1.00 63.22 C ATOM 1916 CG2 VAL A 119 -8.532 3.023 10.612 1.00 64.51 C ATOM 0 H VAL A 119 -11.106 2.423 9.491 1.00 43.33 H new ATOM 0 HA VAL A 119 -9.627 0.588 11.083 1.00 11.10 H new ATOM 0 HB VAL A 119 -10.444 3.483 11.525 1.00 74.31 H new ATOM 0 HG11 VAL A 119 -8.696 3.604 13.291 1.00 63.22 H new ATOM 0 HG12 VAL A 119 -10.015 2.492 13.727 1.00 63.22 H new ATOM 0 HG13 VAL A 119 -8.457 1.846 13.161 1.00 63.22 H new ATOM 0 HG21 VAL A 119 -8.055 3.954 10.917 1.00 64.51 H new ATOM 0 HG22 VAL A 119 -7.800 2.216 10.634 1.00 64.51 H new ATOM 0 HG23 VAL A 119 -8.924 3.130 9.600 1.00 64.51 H new