USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 414 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 89 ASN : amide:sc= -0.17 K(o=0.053,f=-0.84) USER MOD Set 1.2: A 108 HIS : no HD1:sc= 0.223 K(o=0.053,f=-2.8) USER MOD Set 2.1: A 32 GLN : amide:sc= -4.26! K(o=-5.7!,f=-2.5) USER MOD Set 2.2: A 41 GLN : amide:sc= -1.42 K(o=-5.7,f=-2.5) USER MOD Single : A 38 ASN : amide:sc= -0.0335 X(o=-0.033,f=-0.011) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.474 X(o=-0.47,f=-0.016) USER MOD Single : A 78 LYS NZ :NH3+ 161:sc= 0.713 (180deg=0.171!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.494! X(o=-0.49!,f=-0.25) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 91 MET CE :methyl 157:sc= -0.134 (180deg=-0.681) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -147:sc= 1.22 (180deg=-0.298!) USER MOD Single : A 109 MET CE :methyl 137:sc= -1.2 (180deg=-5.6!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -163:sc= 1.29 (180deg=1.06) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot -77:sc= -0.924! USER MOD Single : A 118 TYR OH : rot -95:sc= -1.29! USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 29 6.324 -3.263 -7.406 1.00 1.43 N ATOM 51 CA GLY A 29 5.975 -2.114 -6.597 1.00 0.99 C ATOM 52 C GLY A 29 4.586 -1.586 -6.861 1.00 0.78 C ATOM 53 O GLY A 29 4.177 -0.610 -6.247 1.00 1.00 O ATOM 0 HA2 GLY A 29 6.058 -2.383 -5.544 1.00 0.99 H new ATOM 0 HA3 GLY A 29 6.697 -1.319 -6.780 1.00 0.99 H new ATOM 57 N ALA A 30 3.857 -2.214 -7.767 1.00 0.70 N ATOM 58 CA ALA A 30 2.535 -1.726 -8.119 1.00 0.54 C ATOM 59 C ALA A 30 1.443 -2.607 -7.516 1.00 0.49 C ATOM 60 O ALA A 30 1.153 -3.695 -8.015 1.00 0.60 O ATOM 61 CB ALA A 30 2.386 -1.655 -9.632 1.00 0.68 C ATOM 0 H ALA A 30 4.153 -3.052 -8.267 1.00 0.70 H new ATOM 0 HA ALA A 30 2.423 -0.724 -7.706 1.00 0.54 H new ATOM 0 HB1 ALA A 30 1.391 -1.288 -9.883 1.00 0.68 H new ATOM 0 HB2 ALA A 30 3.136 -0.978 -10.040 1.00 0.68 H new ATOM 0 HB3 ALA A 30 2.524 -2.649 -10.058 1.00 0.68 H new ATOM 67 N ILE A 31 0.838 -2.136 -6.437 1.00 0.40 N ATOM 68 CA ILE A 31 -0.239 -2.866 -5.787 1.00 0.39 C ATOM 69 C ILE A 31 -1.403 -1.936 -5.475 1.00 0.35 C ATOM 70 O ILE A 31 -1.207 -0.758 -5.191 1.00 0.36 O ATOM 71 CB ILE A 31 0.177 -3.497 -4.693 1.00 0.46 C ATOM 72 CG1 ILE A 31 -0.940 -4.303 -4.034 1.00 0.48 C ATOM 73 CG2 ILE A 31 0.823 -2.532 -3.701 1.00 0.52 C ATOM 74 CD1 ILE A 31 -0.567 -4.895 -2.690 1.00 0.90 C ATOM 0 H ILE A 31 1.075 -1.249 -5.992 1.00 0.40 H new ATOM 0 HA ILE A 31 -0.585 -3.631 -6.483 1.00 0.39 H new ATOM 0 HB ILE A 31 0.940 -4.208 -5.010 1.00 0.46 H new ATOM 0 HG12 ILE A 31 -1.811 -3.660 -3.906 1.00 0.48 H new ATOM 0 HG13 ILE A 31 -1.235 -5.110 -4.705 1.00 0.48 H new ATOM 0 HG21 ILE A 31 1.151 -3.082 -2.819 1.00 0.52 H new ATOM 0 HG22 ILE A 31 1.682 -2.050 -4.169 1.00 0.52 H new ATOM 0 HG23 ILE A 31 0.098 -1.774 -3.406 1.00 0.52 H new ATOM 0 HD11 ILE A 31 -1.414 -5.452 -2.290 1.00 0.90 H new ATOM 0 HD12 ILE A 31 0.283 -5.566 -2.811 1.00 0.90 H new ATOM 0 HD13 ILE A 31 -0.301 -4.094 -2.001 1.00 0.90 H new ATOM 86 N GLN A 32 -2.612 -2.437 -5.646 1.00 0.38 N ATOM 87 CA GLN A 32 -3.798 -1.644 -5.375 1.00 0.40 C ATOM 88 C GLN A 32 -4.581 -2.205 -4.196 1.00 0.37 C ATOM 89 O GLN A 32 -4.783 -3.420 -4.079 1.00 0.44 O ATOM 90 CB GLN A 32 -4.697 -1.549 -6.611 1.00 0.50 C ATOM 91 CG GLN A 32 -5.207 -2.878 -7.132 1.00 0.55 C ATOM 92 CD GLN A 32 -6.352 -2.727 -8.111 1.00 1.11 C ATOM 93 OE1 GLN A 32 -6.147 -2.687 -9.320 1.00 2.22 O ATOM 94 NE2 GLN A 32 -7.563 -2.635 -7.596 1.00 0.93 N ATOM 0 H GLN A 32 -2.799 -3.386 -5.970 1.00 0.38 H new ATOM 0 HA GLN A 32 -3.463 -0.640 -5.117 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -5.552 -0.916 -6.373 1.00 0.50 H new ATOM 0 HB3 GLN A 32 -4.144 -1.051 -7.407 1.00 0.50 H new ATOM 0 HG2 GLN A 32 -4.389 -3.410 -7.617 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -5.533 -3.491 -6.292 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -7.691 -2.673 -6.585 1.00 0.93 H new ATOM 0 HE22 GLN A 32 -8.371 -2.526 -8.209 1.00 0.93 H new ATOM 103 N LEU A 33 -4.998 -1.314 -3.316 1.00 0.34 N ATOM 104 CA LEU A 33 -5.839 -1.681 -2.186 1.00 0.36 C ATOM 105 C LEU A 33 -7.081 -0.815 -2.151 1.00 0.35 C ATOM 106 O LEU A 33 -7.175 0.185 -2.853 1.00 0.43 O ATOM 107 CB LEU A 33 -5.068 -1.566 -0.867 1.00 0.45 C ATOM 108 CG LEU A 33 -4.249 -0.290 -0.683 1.00 0.46 C ATOM 109 CD1 LEU A 33 -4.183 0.090 0.788 1.00 0.72 C ATOM 110 CD2 LEU A 33 -2.844 -0.481 -1.232 1.00 0.71 C ATOM 0 H LEU A 33 -4.767 -0.322 -3.361 1.00 0.34 H new ATOM 0 HA LEU A 33 -6.141 -2.721 -2.311 1.00 0.36 H new ATOM 0 HB2 LEU A 33 -5.780 -1.640 -0.045 1.00 0.45 H new ATOM 0 HB3 LEU A 33 -4.397 -2.421 -0.785 1.00 0.45 H new ATOM 0 HG LEU A 33 -4.737 0.515 -1.233 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -3.596 1.001 0.902 1.00 0.72 H new ATOM 0 HD12 LEU A 33 -5.191 0.258 1.166 1.00 0.72 H new ATOM 0 HD13 LEU A 33 -3.714 -0.717 1.352 1.00 0.72 H new ATOM 0 HD21 LEU A 33 -2.272 0.436 -1.094 1.00 0.71 H new ATOM 0 HD22 LEU A 33 -2.354 -1.298 -0.702 1.00 0.71 H new ATOM 0 HD23 LEU A 33 -2.898 -0.719 -2.294 1.00 0.71 H new ATOM 122 N ASP A 34 -8.042 -1.224 -1.357 1.00 0.35 N ATOM 123 CA ASP A 34 -9.275 -0.469 -1.213 1.00 0.45 C ATOM 124 C ASP A 34 -9.171 0.507 -0.054 1.00 0.53 C ATOM 125 O ASP A 34 -8.346 0.343 0.847 1.00 0.58 O ATOM 126 CB ASP A 34 -10.488 -1.396 -1.030 1.00 0.55 C ATOM 127 CG ASP A 34 -10.375 -2.324 0.167 1.00 0.65 C ATOM 128 OD1 ASP A 34 -10.173 -1.835 1.295 1.00 0.88 O ATOM 129 OD2 ASP A 34 -10.519 -3.550 -0.019 1.00 1.15 O ATOM 0 H ASP A 34 -7.999 -2.076 -0.798 1.00 0.35 H new ATOM 0 HA ASP A 34 -9.426 0.095 -2.133 1.00 0.45 H new ATOM 0 HB2 ASP A 34 -11.386 -0.787 -0.923 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -10.615 -1.995 -1.932 1.00 0.55 H new ATOM 134 N GLY A 35 -10.011 1.529 -0.097 1.00 0.67 N ATOM 135 CA GLY A 35 -10.039 2.520 0.957 1.00 0.84 C ATOM 136 C GLY A 35 -10.835 2.055 2.152 1.00 0.85 C ATOM 137 O GLY A 35 -11.157 2.838 3.044 1.00 1.20 O ATOM 0 H GLY A 35 -10.679 1.690 -0.850 1.00 0.67 H new ATOM 0 HA2 GLY A 35 -9.019 2.747 1.267 1.00 0.84 H new ATOM 0 HA3 GLY A 35 -10.469 3.445 0.573 1.00 0.84 H new ATOM 141 N ASP A 36 -11.156 0.774 2.159 1.00 0.69 N ATOM 142 CA ASP A 36 -11.899 0.168 3.243 1.00 0.83 C ATOM 143 C ASP A 36 -10.921 -0.368 4.282 1.00 0.83 C ATOM 144 O ASP A 36 -11.241 -0.481 5.468 1.00 1.10 O ATOM 145 CB ASP A 36 -12.778 -0.954 2.688 1.00 0.89 C ATOM 146 CG ASP A 36 -13.784 -1.476 3.696 1.00 1.24 C ATOM 147 OD1 ASP A 36 -14.819 -0.809 3.914 1.00 1.81 O ATOM 148 OD2 ASP A 36 -13.542 -2.555 4.279 1.00 1.77 O ATOM 0 H ASP A 36 -10.908 0.126 1.412 1.00 0.69 H new ATOM 0 HA ASP A 36 -12.543 0.907 3.720 1.00 0.83 H new ATOM 0 HB2 ASP A 36 -13.309 -0.590 1.809 1.00 0.89 H new ATOM 0 HB3 ASP A 36 -12.143 -1.776 2.359 1.00 0.89 H new ATOM 153 N GLY A 37 -9.711 -0.674 3.821 1.00 0.67 N ATOM 154 CA GLY A 37 -8.659 -1.122 4.713 1.00 0.81 C ATOM 155 C GLY A 37 -8.150 -2.502 4.357 1.00 0.78 C ATOM 156 O GLY A 37 -7.607 -3.206 5.208 1.00 1.05 O ATOM 0 H GLY A 37 -9.441 -0.619 2.839 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -7.832 -0.413 4.680 1.00 0.81 H new ATOM 0 HA3 GLY A 37 -9.033 -1.128 5.737 1.00 0.81 H new ATOM 160 N ASN A 38 -8.328 -2.893 3.101 1.00 0.61 N ATOM 161 CA ASN A 38 -7.928 -4.220 2.647 1.00 0.73 C ATOM 162 C ASN A 38 -7.150 -4.115 1.348 1.00 0.57 C ATOM 163 O ASN A 38 -7.295 -3.144 0.603 1.00 0.49 O ATOM 164 CB ASN A 38 -9.161 -5.102 2.408 1.00 0.95 C ATOM 165 CG ASN A 38 -10.213 -4.978 3.496 1.00 1.13 C ATOM 166 OD1 ASN A 38 -10.221 -5.735 4.470 1.00 1.57 O ATOM 167 ND2 ASN A 38 -11.116 -4.020 3.327 1.00 1.38 N ATOM 0 H ASN A 38 -8.747 -2.309 2.377 1.00 0.61 H new ATOM 0 HA ASN A 38 -7.304 -4.667 3.421 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -9.608 -4.837 1.450 1.00 0.95 H new ATOM 0 HB3 ASN A 38 -8.845 -6.143 2.336 1.00 0.95 H new ATOM 0 HD21 ASN A 38 -11.854 -3.887 4.018 1.00 1.38 H new ATOM 0 HD22 ASN A 38 -11.072 -3.416 2.506 1.00 1.38 H new ATOM 174 N ILE A 39 -6.317 -5.108 1.077 1.00 0.65 N ATOM 175 CA ILE A 39 -5.662 -5.203 -0.214 1.00 0.57 C ATOM 176 C ILE A 39 -6.690 -5.661 -1.243 1.00 0.59 C ATOM 177 O ILE A 39 -7.543 -6.490 -0.938 1.00 0.77 O ATOM 178 CB ILE A 39 -4.614 -6.033 -0.173 1.00 0.62 C ATOM 179 CG1 ILE A 39 -3.516 -5.477 0.735 1.00 0.72 C ATOM 180 CG2 ILE A 39 -4.052 -6.312 -1.568 1.00 0.61 C ATOM 181 CD1 ILE A 39 -2.961 -4.138 0.293 1.00 1.18 C ATOM 0 H ILE A 39 -6.081 -5.854 1.731 1.00 0.65 H new ATOM 0 HA ILE A 39 -5.271 -4.225 -0.495 1.00 0.57 H new ATOM 0 HB ILE A 39 -4.970 -6.978 0.238 1.00 0.62 H new ATOM 0 HG12 ILE A 39 -3.912 -5.377 1.746 1.00 0.72 H new ATOM 0 HG13 ILE A 39 -2.700 -6.198 0.782 1.00 0.72 H new ATOM 0 HG21 ILE A 39 -3.202 -6.990 -1.489 1.00 0.61 H new ATOM 0 HG22 ILE A 39 -4.824 -6.769 -2.187 1.00 0.61 H new ATOM 0 HG23 ILE A 39 -3.728 -5.376 -2.024 1.00 0.61 H new ATOM 0 HD11 ILE A 39 -2.188 -3.816 0.991 1.00 1.18 H new ATOM 0 HD12 ILE A 39 -2.532 -4.233 -0.704 1.00 1.18 H new ATOM 0 HD13 ILE A 39 -3.763 -3.400 0.274 1.00 1.18 H new ATOM 193 N LEU A 40 -6.666 -5.066 -2.428 1.00 0.51 N ATOM 194 CA LEU A 40 -7.677 -5.362 -3.431 1.00 0.61 C ATOM 195 C LEU A 40 -7.104 -6.246 -4.533 1.00 0.60 C ATOM 196 O LEU A 40 -7.689 -7.270 -4.886 1.00 0.72 O ATOM 197 CB LEU A 40 -8.236 -4.062 -4.019 1.00 0.66 C ATOM 198 CG LEU A 40 -9.441 -4.227 -4.949 1.00 1.07 C ATOM 199 CD1 LEU A 40 -10.562 -4.979 -4.249 1.00 1.56 C ATOM 200 CD2 LEU A 40 -9.938 -2.868 -5.414 1.00 1.54 C ATOM 0 H LEU A 40 -5.965 -4.383 -2.715 1.00 0.51 H new ATOM 0 HA LEU A 40 -8.490 -5.906 -2.951 1.00 0.61 H new ATOM 0 HB2 LEU A 40 -8.520 -3.404 -3.198 1.00 0.66 H new ATOM 0 HB3 LEU A 40 -7.440 -3.560 -4.569 1.00 0.66 H new ATOM 0 HG LEU A 40 -9.125 -4.805 -5.817 1.00 1.07 H new ATOM 0 HD11 LEU A 40 -11.408 -5.085 -4.928 1.00 1.56 H new ATOM 0 HD12 LEU A 40 -10.208 -5.967 -3.953 1.00 1.56 H new ATOM 0 HD13 LEU A 40 -10.874 -4.425 -3.364 1.00 1.56 H new ATOM 0 HD21 LEU A 40 -10.795 -3.000 -6.075 1.00 1.54 H new ATOM 0 HD22 LEU A 40 -10.235 -2.274 -4.550 1.00 1.54 H new ATOM 0 HD23 LEU A 40 -9.141 -2.354 -5.952 1.00 1.54 H new ATOM 212 N GLN A 41 -5.955 -5.857 -5.067 1.00 0.50 N ATOM 213 CA GLN A 41 -5.321 -6.623 -6.133 1.00 0.55 C ATOM 214 C GLN A 41 -3.817 -6.381 -6.159 1.00 0.46 C ATOM 215 O GLN A 41 -3.356 -5.238 -6.165 1.00 0.46 O ATOM 216 CB GLN A 41 -5.942 -6.272 -7.490 1.00 0.67 C ATOM 217 CG GLN A 41 -5.302 -6.994 -8.667 1.00 1.08 C ATOM 218 CD GLN A 41 -5.950 -6.655 -9.998 1.00 1.73 C ATOM 219 OE1 GLN A 41 -5.961 -7.471 -10.917 1.00 2.41 O ATOM 220 NE2 GLN A 41 -6.484 -5.451 -10.120 1.00 2.37 N ATOM 0 H GLN A 41 -5.445 -5.021 -4.783 1.00 0.50 H new ATOM 0 HA GLN A 41 -5.492 -7.681 -5.935 1.00 0.55 H new ATOM 0 HB2 GLN A 41 -7.005 -6.511 -7.465 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.861 -5.197 -7.648 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -4.243 -6.739 -8.710 1.00 1.08 H new ATOM 0 HG3 GLN A 41 -5.364 -8.070 -8.503 1.00 1.08 H new ATOM 0 HE21 GLN A 41 -6.457 -4.799 -9.336 1.00 2.37 H new ATOM 0 HE22 GLN A 41 -6.923 -5.174 -10.998 1.00 2.37 H new ATOM 229 N TYR A 42 -3.060 -7.463 -6.152 1.00 0.57 N ATOM 230 CA TYR A 42 -1.614 -7.386 -6.253 1.00 0.58 C ATOM 231 C TYR A 42 -1.205 -7.651 -7.696 1.00 0.65 C ATOM 232 O TYR A 42 -1.490 -8.717 -8.241 1.00 0.79 O ATOM 233 CB TYR A 42 -0.965 -8.394 -5.300 1.00 0.71 C ATOM 234 CG TYR A 42 0.546 -8.363 -5.296 1.00 0.82 C ATOM 235 CD1 TYR A 42 1.284 -9.444 -5.757 1.00 1.09 C ATOM 236 CD2 TYR A 42 1.233 -7.253 -4.822 1.00 0.82 C ATOM 237 CE1 TYR A 42 2.664 -9.423 -5.743 1.00 1.26 C ATOM 238 CE2 TYR A 42 2.615 -7.223 -4.808 1.00 1.02 C ATOM 239 CZ TYR A 42 3.324 -8.313 -5.266 1.00 1.21 C ATOM 240 OH TYR A 42 4.700 -8.297 -5.246 1.00 1.42 O ATOM 0 H TYR A 42 -3.426 -8.412 -6.077 1.00 0.57 H new ATOM 0 HA TYR A 42 -1.273 -6.391 -5.966 1.00 0.58 H new ATOM 0 HB2 TYR A 42 -1.323 -8.203 -4.289 1.00 0.71 H new ATOM 0 HB3 TYR A 42 -1.295 -9.397 -5.571 1.00 0.71 H new ATOM 0 HD1 TYR A 42 0.770 -10.316 -6.133 1.00 1.09 H new ATOM 0 HD2 TYR A 42 0.679 -6.400 -4.459 1.00 0.82 H new ATOM 0 HE1 TYR A 42 3.223 -10.273 -6.104 1.00 1.26 H new ATOM 0 HE2 TYR A 42 3.136 -6.351 -4.441 1.00 1.02 H new ATOM 0 HH TYR A 42 5.012 -7.442 -4.882 1.00 1.42 H new ATOM 250 N ASN A 43 -0.551 -6.679 -8.312 1.00 0.63 N ATOM 251 CA ASN A 43 -0.309 -6.726 -9.748 1.00 0.75 C ATOM 252 C ASN A 43 1.076 -7.259 -10.067 1.00 0.92 C ATOM 253 O ASN A 43 2.087 -6.700 -9.637 1.00 1.02 O ATOM 254 CB ASN A 43 -0.472 -5.338 -10.372 1.00 0.78 C ATOM 255 CG ASN A 43 -1.784 -4.676 -9.999 1.00 0.73 C ATOM 256 OD1 ASN A 43 -2.804 -4.864 -10.661 1.00 1.21 O ATOM 257 ND2 ASN A 43 -1.754 -3.876 -8.945 1.00 0.88 N ATOM 0 H ASN A 43 -0.180 -5.852 -7.845 1.00 0.63 H new ATOM 0 HA ASN A 43 -1.048 -7.405 -10.173 1.00 0.75 H new ATOM 0 HB2 ASN A 43 0.354 -4.702 -10.053 1.00 0.78 H new ATOM 0 HB3 ASN A 43 -0.409 -5.423 -11.457 1.00 0.78 H new ATOM 0 HD21 ASN A 43 -2.599 -3.386 -8.653 1.00 0.88 H new ATOM 0 HD22 ASN A 43 -0.886 -3.750 -8.425 1.00 0.88 H new ATOM 756 N GLY A 77 0.932 5.452 3.898 1.00 3.20 N ATOM 757 CA GLY A 77 1.311 6.835 4.056 1.00 2.71 C ATOM 758 C GLY A 77 0.110 7.734 4.194 1.00 1.94 C ATOM 759 O GLY A 77 -0.540 8.054 3.200 1.00 2.44 O ATOM 0 HA2 GLY A 77 1.946 6.939 4.936 1.00 2.71 H new ATOM 0 HA3 GLY A 77 1.903 7.150 3.197 1.00 2.71 H new ATOM 763 N LYS A 78 -0.205 8.107 5.434 1.00 1.39 N ATOM 764 CA LYS A 78 -1.319 9.006 5.712 1.00 1.29 C ATOM 765 C LYS A 78 -2.660 8.375 5.342 1.00 1.03 C ATOM 766 O LYS A 78 -3.646 9.080 5.235 1.00 1.02 O ATOM 767 CB LYS A 78 -1.145 10.326 4.947 1.00 2.10 C ATOM 768 CG LYS A 78 -0.357 11.390 5.693 1.00 2.61 C ATOM 769 CD LYS A 78 -1.227 12.099 6.718 1.00 3.18 C ATOM 770 CE LYS A 78 -0.504 13.275 7.350 1.00 3.78 C ATOM 771 NZ LYS A 78 -1.401 14.067 8.231 1.00 4.14 N ATOM 0 H LYS A 78 0.300 7.797 6.264 1.00 1.39 H new ATOM 0 HA LYS A 78 -1.318 9.202 6.784 1.00 1.29 H new ATOM 0 HB2 LYS A 78 -0.645 10.119 4.001 1.00 2.10 H new ATOM 0 HB3 LYS A 78 -2.131 10.724 4.707 1.00 2.10 H new ATOM 0 HG2 LYS A 78 0.497 10.931 6.192 1.00 2.61 H new ATOM 0 HG3 LYS A 78 0.040 12.116 4.984 1.00 2.61 H new ATOM 0 HD2 LYS A 78 -2.142 12.449 6.239 1.00 3.18 H new ATOM 0 HD3 LYS A 78 -1.523 11.394 7.495 1.00 3.18 H new ATOM 0 HE2 LYS A 78 0.345 12.911 7.929 1.00 3.78 H new ATOM 0 HE3 LYS A 78 -0.103 13.919 6.567 1.00 3.78 H new ATOM 0 HZ1 LYS A 78 -0.829 14.644 8.880 1.00 4.14 H new ATOM 0 HZ2 LYS A 78 -1.998 14.689 7.649 1.00 4.14 H new ATOM 0 HZ3 LYS A 78 -2.005 13.423 8.781 1.00 4.14 H new ATOM 785 N PHE A 79 -2.699 7.049 5.195 1.00 0.95 N ATOM 786 CA PHE A 79 -3.908 6.347 4.739 1.00 0.77 C ATOM 787 C PHE A 79 -5.142 6.780 5.529 1.00 0.70 C ATOM 788 O PHE A 79 -6.250 6.873 4.967 1.00 0.64 O ATOM 789 CB PHE A 79 -3.726 4.831 4.857 1.00 0.88 C ATOM 790 CG PHE A 79 -4.770 4.030 4.132 1.00 0.79 C ATOM 791 CD1 PHE A 79 -5.866 3.512 4.803 1.00 0.86 C ATOM 792 CD2 PHE A 79 -4.648 3.794 2.774 1.00 0.78 C ATOM 793 CE1 PHE A 79 -6.822 2.777 4.130 1.00 0.85 C ATOM 794 CE2 PHE A 79 -5.601 3.060 2.097 1.00 0.84 C ATOM 795 CZ PHE A 79 -6.687 2.550 2.774 1.00 0.82 C ATOM 0 H PHE A 79 -1.907 6.435 5.385 1.00 0.95 H new ATOM 0 HA PHE A 79 -4.062 6.612 3.693 1.00 0.77 H new ATOM 0 HB2 PHE A 79 -2.743 4.563 4.469 1.00 0.88 H new ATOM 0 HB3 PHE A 79 -3.739 4.555 5.911 1.00 0.88 H new ATOM 0 HD1 PHE A 79 -5.974 3.685 5.864 1.00 0.86 H new ATOM 0 HD2 PHE A 79 -3.798 4.189 2.238 1.00 0.78 H new ATOM 0 HE1 PHE A 79 -7.674 2.380 4.663 1.00 0.85 H new ATOM 0 HE2 PHE A 79 -5.495 2.886 1.036 1.00 0.84 H new ATOM 0 HZ PHE A 79 -7.432 1.974 2.245 1.00 0.82 H new ATOM 805 N LYS A 80 -4.925 7.081 6.817 1.00 0.82 N ATOM 806 CA LYS A 80 -6.006 7.491 7.706 1.00 0.89 C ATOM 807 C LYS A 80 -6.625 8.789 7.206 1.00 0.81 C ATOM 808 O LYS A 80 -7.844 8.954 7.169 1.00 0.87 O ATOM 809 CB LYS A 80 -5.466 7.699 9.124 1.00 1.12 C ATOM 810 CG LYS A 80 -4.826 6.460 9.734 1.00 1.66 C ATOM 811 CD LYS A 80 -4.042 6.807 10.992 1.00 2.17 C ATOM 812 CE LYS A 80 -4.922 7.459 12.047 1.00 2.87 C ATOM 813 NZ LYS A 80 -4.136 7.906 13.229 1.00 3.48 N ATOM 0 H LYS A 80 -4.007 7.046 7.261 1.00 0.82 H new ATOM 0 HA LYS A 80 -6.766 6.709 7.719 1.00 0.89 H new ATOM 0 HB2 LYS A 80 -4.731 8.503 9.107 1.00 1.12 H new ATOM 0 HB3 LYS A 80 -6.282 8.027 9.767 1.00 1.12 H new ATOM 0 HG2 LYS A 80 -5.598 5.729 9.974 1.00 1.66 H new ATOM 0 HG3 LYS A 80 -4.162 5.994 9.006 1.00 1.66 H new ATOM 0 HD2 LYS A 80 -3.594 5.902 11.402 1.00 2.17 H new ATOM 0 HD3 LYS A 80 -3.224 7.480 10.736 1.00 2.17 H new ATOM 0 HE2 LYS A 80 -5.439 8.314 11.611 1.00 2.87 H new ATOM 0 HE3 LYS A 80 -5.688 6.753 12.367 1.00 2.87 H new ATOM 0 HZ1 LYS A 80 -4.773 8.345 13.924 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -3.663 7.087 13.662 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -3.421 8.599 12.929 1.00 3.48 H new ATOM 827 N GLU A 81 -5.758 9.692 6.796 1.00 0.78 N ATOM 828 CA GLU A 81 -6.160 11.002 6.329 1.00 0.78 C ATOM 829 C GLU A 81 -6.434 10.955 4.829 1.00 0.62 C ATOM 830 O GLU A 81 -7.185 11.761 4.301 1.00 0.64 O ATOM 831 CB GLU A 81 -5.050 11.999 6.665 1.00 0.96 C ATOM 832 CG GLU A 81 -5.407 13.453 6.435 1.00 1.53 C ATOM 833 CD GLU A 81 -4.427 14.381 7.120 1.00 2.31 C ATOM 834 OE1 GLU A 81 -3.473 14.846 6.465 1.00 3.07 O ATOM 835 OE2 GLU A 81 -4.591 14.625 8.332 1.00 2.63 O ATOM 0 H GLU A 81 -4.750 9.537 6.777 1.00 0.78 H new ATOM 0 HA GLU A 81 -7.080 11.319 6.821 1.00 0.78 H new ATOM 0 HB2 GLU A 81 -4.770 11.870 7.710 1.00 0.96 H new ATOM 0 HB3 GLU A 81 -4.171 11.757 6.067 1.00 0.96 H new ATOM 0 HG2 GLU A 81 -5.419 13.661 5.365 1.00 1.53 H new ATOM 0 HG3 GLU A 81 -6.413 13.645 6.808 1.00 1.53 H new ATOM 842 N GLY A 82 -5.836 9.976 4.160 1.00 0.55 N ATOM 843 CA GLY A 82 -6.020 9.789 2.749 1.00 0.47 C ATOM 844 C GLY A 82 -7.454 9.476 2.407 1.00 0.46 C ATOM 845 O GLY A 82 -8.019 10.023 1.457 1.00 0.49 O ATOM 0 H GLY A 82 -5.212 9.295 4.593 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -5.709 10.689 2.220 1.00 0.47 H new ATOM 0 HA3 GLY A 82 -5.379 8.978 2.403 1.00 0.47 H new ATOM 849 N VAL A 83 -8.038 8.599 3.208 1.00 0.51 N ATOM 850 CA VAL A 83 -9.425 8.197 3.038 1.00 0.61 C ATOM 851 C VAL A 83 -10.355 9.368 3.328 1.00 0.70 C ATOM 852 O VAL A 83 -11.240 9.688 2.535 1.00 0.79 O ATOM 853 CB VAL A 83 -9.724 7.200 3.856 1.00 0.70 C ATOM 854 CG1 VAL A 83 -11.185 6.784 3.706 1.00 0.85 C ATOM 855 CG2 VAL A 83 -8.814 6.005 3.624 1.00 0.69 C ATOM 0 H VAL A 83 -7.566 8.147 3.991 1.00 0.51 H new ATOM 0 HA VAL A 83 -9.556 7.871 2.006 1.00 0.61 H new ATOM 0 HB VAL A 83 -9.569 7.558 4.874 1.00 0.70 H new ATOM 0 HG11 VAL A 83 -11.402 5.963 4.390 1.00 0.85 H new ATOM 0 HG12 VAL A 83 -11.830 7.631 3.939 1.00 0.85 H new ATOM 0 HG13 VAL A 83 -11.368 6.460 2.681 1.00 0.85 H new ATOM 0 HG21 VAL A 83 -9.085 5.203 4.311 1.00 0.69 H new ATOM 0 HG22 VAL A 83 -8.926 5.657 2.597 1.00 0.69 H new ATOM 0 HG23 VAL A 83 -7.778 6.297 3.797 1.00 0.69 H new ATOM 865 N ALA A 84 -10.094 10.046 4.440 1.00 0.76 N ATOM 866 CA ALA A 84 -10.973 11.106 4.913 1.00 0.94 C ATOM 867 C ALA A 84 -10.791 12.363 4.086 1.00 0.88 C ATOM 868 O ALA A 84 -11.695 13.190 3.984 1.00 1.07 O ATOM 869 CB ALA A 84 -10.720 11.391 6.386 1.00 1.12 C ATOM 0 H ALA A 84 -9.279 9.879 5.031 1.00 0.76 H new ATOM 0 HA ALA A 84 -12.004 10.772 4.800 1.00 0.94 H new ATOM 0 HB1 ALA A 84 -11.386 12.186 6.722 1.00 1.12 H new ATOM 0 HB2 ALA A 84 -10.908 10.489 6.969 1.00 1.12 H new ATOM 0 HB3 ALA A 84 -9.685 11.702 6.524 1.00 1.12 H new ATOM 875 N SER A 85 -9.612 12.506 3.511 1.00 0.76 N ATOM 876 CA SER A 85 -9.365 13.582 2.561 1.00 0.84 C ATOM 877 C SER A 85 -10.263 13.381 1.347 1.00 0.94 C ATOM 878 O SER A 85 -10.723 14.341 0.726 1.00 1.22 O ATOM 879 CB SER A 85 -7.891 13.617 2.141 1.00 1.19 C ATOM 880 OG SER A 85 -7.601 14.774 1.376 1.00 1.88 O ATOM 0 H SER A 85 -8.812 11.896 3.682 1.00 0.76 H new ATOM 0 HA SER A 85 -9.593 14.538 3.033 1.00 0.84 H new ATOM 0 HB2 SER A 85 -7.257 13.596 3.028 1.00 1.19 H new ATOM 0 HB3 SER A 85 -7.655 12.726 1.560 1.00 1.19 H new ATOM 0 HG SER A 85 -6.654 14.770 1.124 1.00 1.88 H new ATOM 886 N GLY A 86 -10.508 12.115 1.022 1.00 0.96 N ATOM 887 CA GLY A 86 -11.463 11.784 -0.016 1.00 1.46 C ATOM 888 C GLY A 86 -10.789 11.463 -1.326 1.00 1.21 C ATOM 889 O GLY A 86 -11.452 11.186 -2.327 1.00 1.66 O ATOM 0 H GLY A 86 -10.060 11.311 1.462 1.00 0.96 H new ATOM 0 HA2 GLY A 86 -12.062 10.930 0.302 1.00 1.46 H new ATOM 0 HA3 GLY A 86 -12.149 12.620 -0.157 1.00 1.46 H new ATOM 893 N ASN A 87 -9.463 11.477 -1.313 1.00 0.66 N ATOM 894 CA ASN A 87 -8.681 11.237 -2.519 1.00 0.67 C ATOM 895 C ASN A 87 -7.201 11.099 -2.202 1.00 0.52 C ATOM 896 O ASN A 87 -6.389 11.958 -2.539 1.00 0.72 O ATOM 897 CB ASN A 87 -8.922 12.313 -3.602 1.00 0.95 C ATOM 898 CG ASN A 87 -8.851 13.762 -3.118 1.00 1.40 C ATOM 899 OD1 ASN A 87 -9.575 14.617 -3.624 1.00 2.08 O ATOM 900 ND2 ASN A 87 -7.963 14.063 -2.185 1.00 1.72 N ATOM 0 H ASN A 87 -8.904 11.653 -0.478 1.00 0.66 H new ATOM 0 HA ASN A 87 -9.027 10.289 -2.932 1.00 0.67 H new ATOM 0 HB2 ASN A 87 -8.186 12.177 -4.395 1.00 0.95 H new ATOM 0 HB3 ASN A 87 -9.903 12.144 -4.045 1.00 0.95 H new ATOM 0 HD21 ASN A 87 -7.865 15.027 -1.866 1.00 1.72 H new ATOM 0 HD22 ASN A 87 -7.376 13.331 -1.784 1.00 1.72 H new ATOM 907 N LEU A 88 -6.877 10.032 -1.492 1.00 0.40 N ATOM 908 CA LEU A 88 -5.497 9.645 -1.256 1.00 0.32 C ATOM 909 C LEU A 88 -4.753 9.459 -2.571 1.00 0.30 C ATOM 910 O LEU A 88 -4.730 8.366 -3.123 1.00 0.34 O ATOM 911 CB LEU A 88 -5.452 8.340 -0.475 1.00 0.37 C ATOM 912 CG LEU A 88 -4.297 8.228 0.491 1.00 0.42 C ATOM 913 CD1 LEU A 88 -4.411 6.959 1.317 1.00 0.56 C ATOM 914 CD2 LEU A 88 -2.955 8.282 -0.220 1.00 0.48 C ATOM 0 H LEU A 88 -7.563 9.410 -1.063 1.00 0.40 H new ATOM 0 HA LEU A 88 -5.016 10.439 -0.685 1.00 0.32 H new ATOM 0 HB2 LEU A 88 -6.384 8.230 0.079 1.00 0.37 H new ATOM 0 HB3 LEU A 88 -5.401 7.511 -1.180 1.00 0.37 H new ATOM 0 HG LEU A 88 -4.348 9.088 1.159 1.00 0.42 H new ATOM 0 HD11 LEU A 88 -3.569 6.897 2.007 1.00 0.56 H new ATOM 0 HD12 LEU A 88 -5.343 6.975 1.882 1.00 0.56 H new ATOM 0 HD13 LEU A 88 -4.403 6.093 0.656 1.00 0.56 H new ATOM 0 HD21 LEU A 88 -2.152 8.198 0.512 1.00 0.48 H new ATOM 0 HD22 LEU A 88 -2.886 7.458 -0.930 1.00 0.48 H new ATOM 0 HD23 LEU A 88 -2.863 9.229 -0.752 1.00 0.48 H new ATOM 926 N ASN A 89 -4.182 10.528 -3.083 1.00 0.32 N ATOM 927 CA ASN A 89 -3.358 10.446 -4.273 1.00 0.34 C ATOM 928 C ASN A 89 -2.192 11.416 -4.157 1.00 0.40 C ATOM 929 O ASN A 89 -2.359 12.623 -4.339 1.00 0.50 O ATOM 930 CB ASN A 89 -4.182 10.724 -5.538 1.00 0.41 C ATOM 931 CG ASN A 89 -3.317 10.773 -6.793 1.00 1.12 C ATOM 932 OD1 ASN A 89 -2.256 10.147 -6.863 1.00 2.01 O ATOM 933 ND2 ASN A 89 -3.764 11.503 -7.800 1.00 1.62 N ATOM 0 H ASN A 89 -4.273 11.467 -2.694 1.00 0.32 H new ATOM 0 HA ASN A 89 -2.966 9.432 -4.358 1.00 0.34 H new ATOM 0 HB2 ASN A 89 -4.941 9.950 -5.652 1.00 0.41 H new ATOM 0 HB3 ASN A 89 -4.708 11.672 -5.425 1.00 0.41 H new ATOM 0 HD21 ASN A 89 -3.228 11.560 -8.666 1.00 1.62 H new ATOM 0 HD22 ASN A 89 -4.645 12.009 -7.711 1.00 1.62 H new ATOM 940 N THR A 90 -1.017 10.889 -3.823 1.00 0.39 N ATOM 941 CA THR A 90 0.153 11.719 -3.634 1.00 0.50 C ATOM 942 C THR A 90 1.424 10.881 -3.668 1.00 0.55 C ATOM 943 O THR A 90 1.385 9.653 -3.530 1.00 0.69 O ATOM 944 CB THR A 90 0.080 12.403 -2.489 1.00 0.68 C ATOM 945 OG1 THR A 90 1.191 13.308 -2.360 1.00 1.67 O ATOM 946 CG2 THR A 90 0.027 11.480 -1.276 1.00 1.22 C ATOM 0 H THR A 90 -0.857 9.892 -3.680 1.00 0.39 H new ATOM 0 HA THR A 90 0.186 12.434 -4.456 1.00 0.50 H new ATOM 0 HB THR A 90 -0.847 12.975 -2.522 1.00 0.68 H new ATOM 0 HG1 THR A 90 1.116 13.799 -1.515 1.00 1.67 H new ATOM 0 HG21 THR A 90 -0.032 12.078 -0.366 1.00 1.22 H new ATOM 0 HG22 THR A 90 -0.851 10.838 -1.346 1.00 1.22 H new ATOM 0 HG23 THR A 90 0.926 10.864 -1.248 1.00 1.22 H new ATOM 954 N MET A 91 2.529 11.546 -3.951 1.00 0.72 N ATOM 955 CA MET A 91 3.844 10.947 -3.817 1.00 1.00 C ATOM 956 C MET A 91 4.383 11.246 -2.428 1.00 0.88 C ATOM 957 O MET A 91 4.224 12.357 -1.918 1.00 0.92 O ATOM 958 CB MET A 91 4.806 11.472 -4.892 1.00 1.53 C ATOM 959 CG MET A 91 5.007 12.982 -4.859 1.00 2.33 C ATOM 960 SD MET A 91 5.978 13.590 -6.251 1.00 3.24 S ATOM 961 CE MET A 91 4.860 13.252 -7.607 1.00 3.94 C ATOM 0 H MET A 91 2.541 12.512 -4.279 1.00 0.72 H new ATOM 0 HA MET A 91 3.759 9.869 -3.955 1.00 1.00 H new ATOM 0 HB2 MET A 91 5.773 10.984 -4.769 1.00 1.53 H new ATOM 0 HB3 MET A 91 4.428 11.187 -5.874 1.00 1.53 H new ATOM 0 HG2 MET A 91 4.034 13.473 -4.859 1.00 2.33 H new ATOM 0 HG3 MET A 91 5.503 13.257 -3.928 1.00 2.33 H new ATOM 0 HE1 MET A 91 5.098 13.905 -8.446 1.00 3.94 H new ATOM 0 HE2 MET A 91 4.966 12.212 -7.915 1.00 3.94 H new ATOM 0 HE3 MET A 91 3.834 13.433 -7.286 1.00 3.94 H new ATOM 971 N PHE A 92 4.984 10.254 -1.806 1.00 0.98 N ATOM 972 CA PHE A 92 5.501 10.412 -0.460 1.00 1.01 C ATOM 973 C PHE A 92 6.733 9.538 -0.270 1.00 0.90 C ATOM 974 O PHE A 92 6.646 8.315 -0.233 1.00 0.85 O ATOM 975 CB PHE A 92 4.411 10.059 0.560 1.00 1.24 C ATOM 976 CG PHE A 92 4.782 10.346 1.988 1.00 1.49 C ATOM 977 CD1 PHE A 92 5.270 11.589 2.358 1.00 1.94 C ATOM 978 CD2 PHE A 92 4.627 9.375 2.963 1.00 1.58 C ATOM 979 CE1 PHE A 92 5.600 11.857 3.672 1.00 2.47 C ATOM 980 CE2 PHE A 92 4.958 9.637 4.279 1.00 2.01 C ATOM 981 CZ PHE A 92 5.444 10.879 4.634 1.00 2.46 C ATOM 0 H PHE A 92 5.128 9.328 -2.210 1.00 0.98 H new ATOM 0 HA PHE A 92 5.794 11.450 -0.303 1.00 1.01 H new ATOM 0 HB2 PHE A 92 3.506 10.614 0.314 1.00 1.24 H new ATOM 0 HB3 PHE A 92 4.171 9.000 0.465 1.00 1.24 H new ATOM 0 HD1 PHE A 92 5.394 12.358 1.610 1.00 1.94 H new ATOM 0 HD2 PHE A 92 4.243 8.402 2.692 1.00 1.58 H new ATOM 0 HE1 PHE A 92 5.980 12.830 3.947 1.00 2.47 H new ATOM 0 HE2 PHE A 92 4.836 8.870 5.029 1.00 2.01 H new ATOM 0 HZ PHE A 92 5.702 11.085 5.662 1.00 2.46 H new ATOM 991 N GLU A 93 7.883 10.169 -0.182 1.00 0.98 N ATOM 992 CA GLU A 93 9.122 9.442 -0.012 1.00 0.97 C ATOM 993 C GLU A 93 9.559 9.503 1.445 1.00 1.21 C ATOM 994 O GLU A 93 10.041 10.544 1.910 1.00 1.50 O ATOM 995 CB GLU A 93 10.197 10.034 -0.917 1.00 1.18 C ATOM 996 CG GLU A 93 9.816 10.025 -2.389 1.00 1.33 C ATOM 997 CD GLU A 93 10.852 10.695 -3.260 1.00 1.57 C ATOM 998 OE1 GLU A 93 12.024 10.267 -3.239 1.00 1.97 O ATOM 999 OE2 GLU A 93 10.500 11.654 -3.972 1.00 1.92 O ATOM 0 H GLU A 93 7.986 11.183 -0.225 1.00 0.98 H new ATOM 0 HA GLU A 93 8.970 8.398 -0.288 1.00 0.97 H new ATOM 0 HB2 GLU A 93 10.399 11.059 -0.607 1.00 1.18 H new ATOM 0 HB3 GLU A 93 11.122 9.473 -0.785 1.00 1.18 H new ATOM 0 HG2 GLU A 93 9.680 8.995 -2.719 1.00 1.33 H new ATOM 0 HG3 GLU A 93 8.858 10.530 -2.516 1.00 1.33 H new ATOM 1006 N TYR A 94 9.372 8.406 2.170 1.00 1.23 N ATOM 1007 CA TYR A 94 9.696 8.382 3.589 1.00 1.60 C ATOM 1008 C TYR A 94 10.726 7.308 3.892 1.00 1.67 C ATOM 1009 O TYR A 94 10.805 6.288 3.201 1.00 1.62 O ATOM 1010 CB TYR A 94 8.436 8.195 4.446 1.00 1.88 C ATOM 1011 CG TYR A 94 7.671 6.908 4.198 1.00 2.23 C ATOM 1012 CD1 TYR A 94 7.808 5.815 5.048 1.00 2.63 C ATOM 1013 CD2 TYR A 94 6.829 6.778 3.100 1.00 2.62 C ATOM 1014 CE1 TYR A 94 7.128 4.634 4.812 1.00 3.18 C ATOM 1015 CE2 TYR A 94 6.142 5.602 2.859 1.00 3.33 C ATOM 1016 CZ TYR A 94 6.238 4.557 3.774 1.00 3.51 C ATOM 1017 OH TYR A 94 5.620 3.358 3.474 1.00 4.29 O ATOM 0 H TYR A 94 9.001 7.530 1.802 1.00 1.23 H new ATOM 0 HA TYR A 94 10.130 9.348 3.847 1.00 1.60 H new ATOM 0 HB2 TYR A 94 8.722 8.232 5.497 1.00 1.88 H new ATOM 0 HB3 TYR A 94 7.767 9.037 4.268 1.00 1.88 H new ATOM 0 HD1 TYR A 94 8.457 5.890 5.908 1.00 2.63 H new ATOM 0 HD2 TYR A 94 6.709 7.610 2.423 1.00 2.62 H new ATOM 0 HE1 TYR A 94 7.298 3.775 5.444 1.00 3.18 H new ATOM 0 HE2 TYR A 94 5.537 5.495 1.970 1.00 3.33 H new ATOM 0 HH TYR A 94 5.019 3.482 2.710 1.00 4.29 H new ATOM 1170 N LYS A 104 14.719 4.058 2.177 1.00 1.52 N ATOM 1171 CA LYS A 104 13.765 5.074 1.778 1.00 1.37 C ATOM 1172 C LYS A 104 12.850 4.503 0.715 1.00 1.18 C ATOM 1173 O LYS A 104 13.325 4.000 -0.310 1.00 1.26 O ATOM 1174 CB LYS A 104 14.460 6.319 1.216 1.00 1.53 C ATOM 1175 CG LYS A 104 13.476 7.424 0.839 1.00 1.64 C ATOM 1176 CD LYS A 104 14.066 8.414 -0.155 1.00 2.24 C ATOM 1177 CE LYS A 104 15.211 9.216 0.435 1.00 2.60 C ATOM 1178 NZ LYS A 104 15.705 10.235 -0.531 1.00 3.12 N ATOM 0 HA LYS A 104 13.200 5.370 2.662 1.00 1.37 H new ATOM 0 HB2 LYS A 104 15.164 6.702 1.955 1.00 1.53 H new ATOM 0 HB3 LYS A 104 15.041 6.040 0.337 1.00 1.53 H new ATOM 0 HG2 LYS A 104 12.578 6.977 0.412 1.00 1.64 H new ATOM 0 HG3 LYS A 104 13.170 7.957 1.739 1.00 1.64 H new ATOM 0 HD2 LYS A 104 14.419 7.875 -1.034 1.00 2.24 H new ATOM 0 HD3 LYS A 104 13.285 9.095 -0.492 1.00 2.24 H new ATOM 0 HE2 LYS A 104 14.881 9.708 1.350 1.00 2.60 H new ATOM 0 HE3 LYS A 104 16.025 8.545 0.709 1.00 2.60 H new ATOM 0 HZ1 LYS A 104 16.488 10.769 -0.102 1.00 3.12 H new ATOM 0 HZ2 LYS A 104 16.041 9.761 -1.394 1.00 3.12 H new ATOM 0 HZ3 LYS A 104 14.932 10.888 -0.773 1.00 3.12 H new ATOM 1192 N VAL A 105 11.550 4.550 0.956 1.00 1.04 N ATOM 1193 CA VAL A 105 10.606 4.149 -0.055 1.00 0.90 C ATOM 1194 C VAL A 105 10.007 5.361 -0.736 1.00 0.72 C ATOM 1195 O VAL A 105 10.008 6.467 -0.193 1.00 0.75 O ATOM 1196 CB VAL A 105 9.641 3.371 0.403 1.00 1.00 C ATOM 1197 CG1 VAL A 105 10.198 2.011 0.811 1.00 1.23 C ATOM 1198 CG2 VAL A 105 8.899 4.022 1.558 1.00 1.11 C ATOM 0 H VAL A 105 11.135 4.859 1.835 1.00 1.04 H new ATOM 0 HA VAL A 105 11.172 3.559 -0.776 1.00 0.90 H new ATOM 0 HB VAL A 105 8.923 3.222 -0.403 1.00 1.00 H new ATOM 0 HG11 VAL A 105 9.389 1.384 1.186 1.00 1.23 H new ATOM 0 HG12 VAL A 105 10.658 1.532 -0.053 1.00 1.23 H new ATOM 0 HG13 VAL A 105 10.946 2.144 1.593 1.00 1.23 H new ATOM 0 HG21 VAL A 105 8.113 3.353 1.909 1.00 1.11 H new ATOM 0 HG22 VAL A 105 9.596 4.221 2.372 1.00 1.11 H new ATOM 0 HG23 VAL A 105 8.455 4.959 1.223 1.00 1.11 H new ATOM 1208 N LYS A 106 9.553 5.154 -1.947 1.00 0.64 N ATOM 1209 CA LYS A 106 9.002 6.223 -2.747 1.00 0.59 C ATOM 1210 C LYS A 106 7.649 5.794 -3.274 1.00 0.53 C ATOM 1211 O LYS A 106 7.572 4.959 -4.174 1.00 0.68 O ATOM 1212 CB LYS A 106 9.938 6.540 -3.916 1.00 0.79 C ATOM 1213 CG LYS A 106 11.362 6.898 -3.505 1.00 1.39 C ATOM 1214 CD LYS A 106 12.326 6.768 -4.678 1.00 1.61 C ATOM 1215 CE LYS A 106 11.960 7.698 -5.824 1.00 2.08 C ATOM 1216 NZ LYS A 106 12.398 9.095 -5.581 1.00 2.36 N ATOM 0 H LYS A 106 9.554 4.243 -2.406 1.00 0.64 H new ATOM 0 HA LYS A 106 8.893 7.118 -2.135 1.00 0.59 H new ATOM 0 HB2 LYS A 106 9.971 5.678 -4.583 1.00 0.79 H new ATOM 0 HB3 LYS A 106 9.519 7.369 -4.487 1.00 0.79 H new ATOM 0 HG2 LYS A 106 11.387 7.918 -3.123 1.00 1.39 H new ATOM 0 HG3 LYS A 106 11.683 6.245 -2.693 1.00 1.39 H new ATOM 0 HD2 LYS A 106 13.339 6.990 -4.341 1.00 1.61 H new ATOM 0 HD3 LYS A 106 12.327 5.738 -5.034 1.00 1.61 H new ATOM 0 HE2 LYS A 106 12.415 7.332 -6.745 1.00 2.08 H new ATOM 0 HE3 LYS A 106 10.880 7.679 -5.973 1.00 2.08 H new ATOM 0 HZ1 LYS A 106 11.719 9.752 -6.015 1.00 2.36 H new ATOM 0 HZ2 LYS A 106 12.445 9.271 -4.557 1.00 2.36 H new ATOM 0 HZ3 LYS A 106 13.338 9.242 -6.001 1.00 2.36 H new ATOM 1230 N VAL A 107 6.582 6.330 -2.715 1.00 0.47 N ATOM 1231 CA VAL A 107 5.261 5.909 -3.144 1.00 0.49 C ATOM 1232 C VAL A 107 4.591 6.938 -4.008 1.00 0.45 C ATOM 1233 O VAL A 107 4.813 8.139 -3.866 1.00 0.74 O ATOM 1234 CB VAL A 107 4.427 5.613 -2.153 1.00 0.60 C ATOM 1235 CG1 VAL A 107 4.781 4.269 -1.540 1.00 0.99 C ATOM 1236 CG2 VAL A 107 4.401 6.691 -1.086 1.00 1.11 C ATOM 0 H VAL A 107 6.599 7.039 -1.982 1.00 0.47 H new ATOM 0 HA VAL A 107 5.459 4.998 -3.708 1.00 0.49 H new ATOM 0 HB VAL A 107 3.426 5.555 -2.581 1.00 0.60 H new ATOM 0 HG11 VAL A 107 4.087 4.044 -0.730 1.00 0.99 H new ATOM 0 HG12 VAL A 107 4.713 3.492 -2.302 1.00 0.99 H new ATOM 0 HG13 VAL A 107 5.797 4.305 -1.147 1.00 0.99 H new ATOM 0 HG21 VAL A 107 3.706 6.405 -0.297 1.00 1.11 H new ATOM 0 HG22 VAL A 107 5.399 6.810 -0.665 1.00 1.11 H new ATOM 0 HG23 VAL A 107 4.080 7.634 -1.529 1.00 1.11 H new ATOM 1246 N HIS A 108 3.850 6.446 -4.967 1.00 0.30 N ATOM 1247 CA HIS A 108 2.778 7.205 -5.539 1.00 0.31 C ATOM 1248 C HIS A 108 1.521 6.424 -5.241 1.00 0.28 C ATOM 1249 O HIS A 108 1.249 5.399 -5.863 1.00 0.31 O ATOM 1250 CB HIS A 108 2.956 7.420 -7.047 1.00 0.43 C ATOM 1251 CG HIS A 108 1.867 8.251 -7.667 1.00 0.56 C ATOM 1252 ND1 HIS A 108 1.510 8.159 -8.994 1.00 0.94 N ATOM 1253 CD2 HIS A 108 1.051 9.191 -7.129 1.00 0.71 C ATOM 1254 CE1 HIS A 108 0.526 9.003 -9.244 1.00 1.01 C ATOM 1255 NE2 HIS A 108 0.226 9.641 -8.128 1.00 0.80 N ATOM 0 H HIS A 108 3.974 5.516 -5.368 1.00 0.30 H new ATOM 0 HA HIS A 108 2.743 8.207 -5.112 1.00 0.31 H new ATOM 0 HB2 HIS A 108 3.917 7.902 -7.226 1.00 0.43 H new ATOM 0 HB3 HIS A 108 2.989 6.450 -7.543 1.00 0.43 H new ATOM 0 HD2 HIS A 108 1.051 9.524 -6.102 1.00 0.71 H new ATOM 0 HE1 HIS A 108 0.047 9.147 -10.201 1.00 1.01 H new ATOM 0 HE2 HIS A 108 -0.499 10.351 -8.026 1.00 0.80 H new ATOM 1264 N MET A 109 0.788 6.897 -4.265 1.00 0.31 N ATOM 1265 CA MET A 109 -0.421 6.235 -3.837 1.00 0.33 C ATOM 1266 C MET A 109 -1.591 7.042 -4.322 1.00 0.37 C ATOM 1267 O MET A 109 -1.626 8.247 -4.116 1.00 0.55 O ATOM 1268 CB MET A 109 -0.441 6.059 -2.313 1.00 0.43 C ATOM 1269 CG MET A 109 0.087 7.255 -1.535 1.00 0.77 C ATOM 1270 SD MET A 109 0.208 6.932 0.236 1.00 1.28 S ATOM 1271 CE MET A 109 1.317 5.529 0.250 1.00 2.22 C ATOM 0 H MET A 109 1.010 7.747 -3.746 1.00 0.31 H new ATOM 0 HA MET A 109 -0.473 5.233 -4.262 1.00 0.33 H new ATOM 0 HB2 MET A 109 -1.464 5.858 -1.996 1.00 0.43 H new ATOM 0 HB3 MET A 109 0.151 5.182 -2.053 1.00 0.43 H new ATOM 0 HG2 MET A 109 1.070 7.528 -1.919 1.00 0.77 H new ATOM 0 HG3 MET A 109 -0.569 8.110 -1.701 1.00 0.77 H new ATOM 0 HE1 MET A 109 2.052 5.654 1.045 1.00 2.22 H new ATOM 0 HE2 MET A 109 0.747 4.616 0.424 1.00 2.22 H new ATOM 0 HE3 MET A 109 1.828 5.460 -0.710 1.00 2.22 H new ATOM 1281 N LYS A 110 -2.523 6.395 -4.992 1.00 0.27 N ATOM 1282 CA LYS A 110 -3.534 7.117 -5.730 1.00 0.30 C ATOM 1283 C LYS A 110 -4.883 6.464 -5.571 1.00 0.24 C ATOM 1284 O LYS A 110 -5.005 5.248 -5.679 1.00 0.24 O ATOM 1285 CB LYS A 110 -3.153 7.179 -7.213 1.00 0.43 C ATOM 1286 CG LYS A 110 -2.865 5.815 -7.820 1.00 0.64 C ATOM 1287 CD LYS A 110 -2.377 5.916 -9.255 1.00 0.78 C ATOM 1288 CE LYS A 110 -3.448 6.461 -10.181 1.00 1.38 C ATOM 1289 NZ LYS A 110 -3.018 6.412 -11.602 1.00 1.73 N ATOM 0 H LYS A 110 -2.600 5.379 -5.040 1.00 0.27 H new ATOM 0 HA LYS A 110 -3.594 8.130 -5.331 1.00 0.30 H new ATOM 0 HB2 LYS A 110 -3.962 7.652 -7.769 1.00 0.43 H new ATOM 0 HB3 LYS A 110 -2.274 7.813 -7.328 1.00 0.43 H new ATOM 0 HG2 LYS A 110 -2.114 5.303 -7.218 1.00 0.64 H new ATOM 0 HG3 LYS A 110 -3.769 5.207 -7.788 1.00 0.64 H new ATOM 0 HD2 LYS A 110 -1.500 6.562 -9.295 1.00 0.78 H new ATOM 0 HD3 LYS A 110 -2.064 4.931 -9.602 1.00 0.78 H new ATOM 0 HE2 LYS A 110 -4.365 5.884 -10.057 1.00 1.38 H new ATOM 0 HE3 LYS A 110 -3.679 7.490 -9.905 1.00 1.38 H new ATOM 0 HZ1 LYS A 110 -3.774 6.792 -12.207 1.00 1.73 H new ATOM 0 HZ2 LYS A 110 -2.157 6.983 -11.724 1.00 1.73 H new ATOM 0 HZ3 LYS A 110 -2.821 5.427 -11.871 1.00 1.73 H new ATOM 1303 N LYS A 111 -5.885 7.270 -5.292 1.00 0.23 N ATOM 1304 CA LYS A 111 -7.236 6.806 -5.289 1.00 0.22 C ATOM 1305 C LYS A 111 -7.599 6.194 -6.637 1.00 0.22 C ATOM 1306 O LYS A 111 -7.715 6.886 -7.650 1.00 0.29 O ATOM 1307 CB LYS A 111 -8.120 7.985 -4.955 1.00 0.28 C ATOM 1308 CG LYS A 111 -9.611 7.701 -4.987 1.00 0.35 C ATOM 1309 CD LYS A 111 -10.398 8.951 -4.648 1.00 0.53 C ATOM 1310 CE LYS A 111 -11.898 8.747 -4.810 1.00 0.91 C ATOM 1311 NZ LYS A 111 -12.661 9.990 -4.522 1.00 1.78 N ATOM 0 H LYS A 111 -5.777 8.258 -5.063 1.00 0.23 H new ATOM 0 HA LYS A 111 -7.373 6.020 -4.546 1.00 0.22 H new ATOM 0 HB2 LYS A 111 -7.856 8.347 -3.961 1.00 0.28 H new ATOM 0 HB3 LYS A 111 -7.904 8.791 -5.656 1.00 0.28 H new ATOM 0 HG2 LYS A 111 -9.897 7.341 -5.975 1.00 0.35 H new ATOM 0 HG3 LYS A 111 -9.851 6.909 -4.277 1.00 0.35 H new ATOM 0 HD2 LYS A 111 -10.182 9.247 -3.621 1.00 0.53 H new ATOM 0 HD3 LYS A 111 -10.073 9.769 -5.291 1.00 0.53 H new ATOM 0 HE2 LYS A 111 -12.112 8.417 -5.827 1.00 0.91 H new ATOM 0 HE3 LYS A 111 -12.231 7.954 -4.141 1.00 0.91 H new ATOM 0 HZ1 LYS A 111 -13.661 9.754 -4.359 1.00 1.78 H new ATOM 0 HZ2 LYS A 111 -12.271 10.448 -3.674 1.00 1.78 H new ATOM 0 HZ3 LYS A 111 -12.586 10.639 -5.331 1.00 1.78 H new ATOM 1325 N ALA A 112 -7.726 4.871 -6.616 1.00 0.22 N ATOM 1326 CA ALA A 112 -8.038 4.081 -7.784 1.00 0.26 C ATOM 1327 C ALA A 112 -9.297 4.602 -8.458 1.00 0.38 C ATOM 1328 O ALA A 112 -10.293 4.906 -7.794 1.00 0.45 O ATOM 1329 CB ALA A 112 -8.225 2.624 -7.397 1.00 0.33 C ATOM 0 H ALA A 112 -7.611 4.316 -5.768 1.00 0.22 H new ATOM 0 HA ALA A 112 -7.207 4.159 -8.485 1.00 0.26 H new ATOM 0 HB1 ALA A 112 -8.460 2.039 -8.286 1.00 0.33 H new ATOM 0 HB2 ALA A 112 -7.307 2.247 -6.946 1.00 0.33 H new ATOM 0 HB3 ALA A 112 -9.042 2.540 -6.681 1.00 0.33 H new ATOM 1335 N LEU A 113 -9.267 4.673 -9.776 1.00 0.47 N ATOM 1336 CA LEU A 113 -10.384 5.210 -10.537 1.00 0.64 C ATOM 1337 C LEU A 113 -11.542 4.216 -10.581 1.00 0.76 C ATOM 1338 O LEU A 113 -12.564 4.460 -11.225 1.00 0.96 O ATOM 1339 CB LEU A 113 -9.927 5.563 -11.952 1.00 0.76 C ATOM 1340 CG LEU A 113 -8.743 6.530 -12.021 1.00 1.55 C ATOM 1341 CD1 LEU A 113 -8.338 6.779 -13.465 1.00 2.27 C ATOM 1342 CD2 LEU A 113 -9.086 7.840 -11.328 1.00 2.39 C ATOM 0 H LEU A 113 -8.479 4.365 -10.345 1.00 0.47 H new ATOM 0 HA LEU A 113 -10.738 6.115 -10.042 1.00 0.64 H new ATOM 0 HB2 LEU A 113 -9.658 4.644 -12.472 1.00 0.76 H new ATOM 0 HB3 LEU A 113 -10.767 6.000 -12.492 1.00 0.76 H new ATOM 0 HG LEU A 113 -7.898 6.077 -11.503 1.00 1.55 H new ATOM 0 HD11 LEU A 113 -7.495 7.469 -13.493 1.00 2.27 H new ATOM 0 HD12 LEU A 113 -8.051 5.836 -13.930 1.00 2.27 H new ATOM 0 HD13 LEU A 113 -9.178 7.211 -14.009 1.00 2.27 H new ATOM 0 HD21 LEU A 113 -8.233 8.516 -11.386 1.00 2.39 H new ATOM 0 HD22 LEU A 113 -9.946 8.297 -11.818 1.00 2.39 H new ATOM 0 HD23 LEU A 113 -9.325 7.647 -10.282 1.00 2.39 H new ATOM 1354 N SER A 114 -11.374 3.104 -9.876 1.00 0.73 N ATOM 1355 CA SER A 114 -12.390 2.068 -9.804 1.00 0.92 C ATOM 1356 C SER A 114 -13.474 2.428 -8.781 1.00 0.93 C ATOM 1357 O SER A 114 -14.645 2.077 -8.955 1.00 1.27 O ATOM 1358 CB SER A 114 -11.727 0.744 -9.434 1.00 1.04 C ATOM 1359 OG SER A 114 -10.584 0.513 -10.244 1.00 1.66 O ATOM 0 H SER A 114 -10.531 2.898 -9.340 1.00 0.73 H new ATOM 0 HA SER A 114 -12.873 1.977 -10.777 1.00 0.92 H new ATOM 0 HB2 SER A 114 -11.438 0.757 -8.383 1.00 1.04 H new ATOM 0 HB3 SER A 114 -12.438 -0.072 -9.559 1.00 1.04 H new ATOM 0 HG SER A 114 -10.171 -0.339 -9.992 1.00 1.66 H new ATOM 1365 N GLY A 115 -13.083 3.133 -7.721 1.00 0.71 N ATOM 1366 CA GLY A 115 -14.042 3.552 -6.713 1.00 0.79 C ATOM 1367 C GLY A 115 -13.514 3.420 -5.298 1.00 0.78 C ATOM 1368 O GLY A 115 -13.291 2.307 -4.820 1.00 1.52 O ATOM 0 H GLY A 115 -12.121 3.421 -7.543 1.00 0.71 H new ATOM 0 HA2 GLY A 115 -14.321 4.590 -6.895 1.00 0.79 H new ATOM 0 HA3 GLY A 115 -14.949 2.956 -6.813 1.00 0.79 H new ATOM 1372 N ASP A 116 -13.323 4.579 -4.655 1.00 0.72 N ATOM 1373 CA ASP A 116 -12.782 4.705 -3.287 1.00 0.85 C ATOM 1374 C ASP A 116 -11.872 3.546 -2.895 1.00 0.80 C ATOM 1375 O ASP A 116 -12.225 2.664 -2.111 1.00 1.40 O ATOM 1376 CB ASP A 116 -13.886 4.887 -2.252 1.00 1.25 C ATOM 1377 CG ASP A 116 -13.321 5.334 -0.918 1.00 2.10 C ATOM 1378 OD1 ASP A 116 -13.666 4.716 0.115 1.00 2.63 O ATOM 1379 OD2 ASP A 116 -12.515 6.286 -0.898 1.00 2.79 O ATOM 0 H ASP A 116 -13.545 5.480 -5.078 1.00 0.72 H new ATOM 0 HA ASP A 116 -12.169 5.606 -3.299 1.00 0.85 H new ATOM 0 HB2 ASP A 116 -14.605 5.623 -2.610 1.00 1.25 H new ATOM 0 HB3 ASP A 116 -14.427 3.949 -2.125 1.00 1.25 H new ATOM 1384 N SER A 117 -10.711 3.560 -3.487 1.00 0.42 N ATOM 1385 CA SER A 117 -9.667 2.598 -3.246 1.00 0.29 C ATOM 1386 C SER A 117 -8.381 3.299 -3.572 1.00 0.22 C ATOM 1387 O SER A 117 -8.417 4.319 -4.239 1.00 0.25 O ATOM 1388 CB SER A 117 -9.876 1.364 -4.108 1.00 0.34 C ATOM 1389 OG SER A 117 -10.482 1.698 -5.346 1.00 0.44 O ATOM 0 H SER A 117 -10.454 4.267 -4.176 1.00 0.42 H new ATOM 0 HA SER A 117 -9.661 2.247 -2.214 1.00 0.29 H new ATOM 0 HB2 SER A 117 -8.918 0.878 -4.289 1.00 0.34 H new ATOM 0 HB3 SER A 117 -10.502 0.647 -3.576 1.00 0.34 H new ATOM 0 HG SER A 117 -11.439 1.860 -5.209 1.00 0.44 H new ATOM 1395 N TYR A 118 -7.270 2.822 -3.075 1.00 0.19 N ATOM 1396 CA TYR A 118 -6.018 3.538 -3.281 1.00 0.19 C ATOM 1397 C TYR A 118 -4.880 2.599 -3.653 1.00 0.20 C ATOM 1398 O TYR A 118 -4.714 1.534 -3.066 1.00 0.25 O ATOM 1399 CB TYR A 118 -5.664 4.348 -2.032 1.00 0.22 C ATOM 1400 CG TYR A 118 -6.842 5.078 -1.453 1.00 0.23 C ATOM 1401 CD1 TYR A 118 -7.479 4.602 -0.327 1.00 0.30 C ATOM 1402 CD2 TYR A 118 -7.296 6.251 -2.021 1.00 0.25 C ATOM 1403 CE1 TYR A 118 -8.551 5.275 0.227 1.00 0.35 C ATOM 1404 CE2 TYR A 118 -8.368 6.933 -1.481 1.00 0.30 C ATOM 1405 CZ TYR A 118 -9.039 6.409 -0.411 1.00 0.34 C ATOM 1406 OH TYR A 118 -10.061 7.119 0.185 1.00 0.42 O ATOM 0 H TYR A 118 -7.195 1.960 -2.535 1.00 0.19 H new ATOM 0 HA TYR A 118 -6.159 4.219 -4.120 1.00 0.19 H new ATOM 0 HB2 TYR A 118 -5.251 3.679 -1.277 1.00 0.22 H new ATOM 0 HB3 TYR A 118 -4.884 5.068 -2.281 1.00 0.22 H new ATOM 0 HD1 TYR A 118 -7.134 3.687 0.130 1.00 0.30 H new ATOM 0 HD2 TYR A 118 -6.806 6.641 -2.901 1.00 0.25 H new ATOM 0 HE1 TYR A 118 -9.003 4.925 1.143 1.00 0.35 H new ATOM 0 HE2 TYR A 118 -8.676 7.878 -1.903 1.00 0.30 H new ATOM 0 HH TYR A 118 -10.921 6.822 -0.178 1.00 0.42 H new ATOM 1416 N TRP A 119 -4.112 2.995 -4.658 1.00 0.20 N ATOM 1417 CA TRP A 119 -2.957 2.243 -5.083 1.00 0.22 C ATOM 1418 C TRP A 119 -1.740 2.613 -4.276 1.00 0.25 C ATOM 1419 O TRP A 119 -1.716 3.629 -3.589 1.00 0.27 O ATOM 1420 CB TRP A 119 -2.638 2.535 -6.539 1.00 0.25 C ATOM 1421 CG TRP A 119 -3.583 1.934 -7.513 1.00 0.26 C ATOM 1422 CD1 TRP A 119 -4.877 2.287 -7.749 1.00 0.27 C ATOM 1423 CD2 TRP A 119 -3.278 0.875 -8.404 1.00 0.30 C ATOM 1424 NE1 TRP A 119 -5.405 1.474 -8.731 1.00 0.32 N ATOM 1425 CE2 TRP A 119 -4.433 0.601 -9.148 1.00 0.33 C ATOM 1426 CE3 TRP A 119 -2.126 0.127 -8.636 1.00 0.34 C ATOM 1427 CZ2 TRP A 119 -4.465 -0.408 -10.107 1.00 0.40 C ATOM 1428 CZ3 TRP A 119 -2.155 -0.859 -9.582 1.00 0.40 C ATOM 1429 CH2 TRP A 119 -3.316 -1.128 -10.313 1.00 0.42 C ATOM 0 H TRP A 119 -4.278 3.846 -5.196 1.00 0.20 H new ATOM 0 HA TRP A 119 -3.196 1.189 -4.942 1.00 0.22 H new ATOM 0 HB2 TRP A 119 -2.625 3.615 -6.685 1.00 0.25 H new ATOM 0 HB3 TRP A 119 -1.633 2.172 -6.757 1.00 0.25 H new ATOM 0 HD1 TRP A 119 -5.408 3.081 -7.245 1.00 0.27 H new ATOM 0 HE1 TRP A 119 -6.360 1.515 -9.088 1.00 0.32 H new ATOM 0 HE3 TRP A 119 -1.223 0.323 -8.077 1.00 0.34 H new ATOM 0 HZ2 TRP A 119 -5.363 -0.616 -10.669 1.00 0.40 H new ATOM 0 HZ3 TRP A 119 -1.265 -1.441 -9.768 1.00 0.40 H new ATOM 0 HH2 TRP A 119 -3.308 -1.916 -11.052 1.00 0.42 H new ATOM 1440 N VAL A 120 -0.732 1.777 -4.399 1.00 0.28 N ATOM 1441 CA VAL A 120 0.581 2.025 -3.835 1.00 0.32 C ATOM 1442 C VAL A 120 1.642 1.587 -4.842 1.00 0.34 C ATOM 1443 O VAL A 120 1.961 0.403 -4.945 1.00 0.43 O ATOM 1444 CB VAL A 120 0.766 1.361 -2.692 1.00 0.38 C ATOM 1445 CG1 VAL A 120 2.187 1.559 -2.169 1.00 0.56 C ATOM 1446 CG2 VAL A 120 -0.231 1.775 -1.620 1.00 0.62 C ATOM 0 H VAL A 120 -0.801 0.892 -4.901 1.00 0.28 H new ATOM 0 HA VAL A 120 0.661 3.091 -3.621 1.00 0.32 H new ATOM 0 HB VAL A 120 0.606 0.306 -2.916 1.00 0.38 H new ATOM 0 HG11 VAL A 120 2.312 1.008 -1.237 1.00 0.56 H new ATOM 0 HG12 VAL A 120 2.901 1.191 -2.906 1.00 0.56 H new ATOM 0 HG13 VAL A 120 2.364 2.619 -1.990 1.00 0.56 H new ATOM 0 HG21 VAL A 120 -0.041 1.208 -0.708 1.00 0.62 H new ATOM 0 HG22 VAL A 120 -0.123 2.840 -1.414 1.00 0.62 H new ATOM 0 HG23 VAL A 120 -1.244 1.574 -1.968 1.00 0.62 H new ATOM 1456 N PHE A 121 2.161 2.539 -5.605 1.00 0.34 N ATOM 1457 CA PHE A 121 3.312 2.279 -6.461 1.00 0.42 C ATOM 1458 C PHE A 121 4.577 2.648 -5.692 1.00 0.40 C ATOM 1459 O PHE A 121 4.908 3.831 -5.563 1.00 0.49 O ATOM 1460 CB PHE A 121 3.254 3.099 -7.752 1.00 0.61 C ATOM 1461 CG PHE A 121 2.072 2.812 -8.632 1.00 0.49 C ATOM 1462 CD1 PHE A 121 0.863 3.453 -8.423 1.00 0.52 C ATOM 1463 CD2 PHE A 121 2.181 1.918 -9.681 1.00 0.98 C ATOM 1464 CE1 PHE A 121 -0.217 3.204 -9.248 1.00 0.96 C ATOM 1465 CE2 PHE A 121 1.105 1.662 -10.507 1.00 1.49 C ATOM 1466 CZ PHE A 121 -0.095 2.307 -10.292 1.00 1.45 C ATOM 0 H PHE A 121 1.806 3.494 -5.650 1.00 0.34 H new ATOM 0 HA PHE A 121 3.310 1.224 -6.734 1.00 0.42 H new ATOM 0 HB2 PHE A 121 3.246 4.158 -7.492 1.00 0.61 H new ATOM 0 HB3 PHE A 121 4.165 2.917 -8.322 1.00 0.61 H new ATOM 0 HD1 PHE A 121 0.763 4.154 -7.608 1.00 0.52 H new ATOM 0 HD2 PHE A 121 3.120 1.414 -9.856 1.00 0.98 H new ATOM 0 HE1 PHE A 121 -1.156 3.710 -9.077 1.00 0.96 H new ATOM 0 HE2 PHE A 121 1.203 0.958 -11.320 1.00 1.49 H new ATOM 0 HZ PHE A 121 -0.938 2.111 -10.938 1.00 1.45 H new ATOM 1476 N VAL A 122 5.270 1.650 -5.171 1.00 0.49 N ATOM 1477 CA VAL A 122 6.402 1.892 -4.292 1.00 0.61 C ATOM 1478 C VAL A 122 7.716 1.396 -4.904 1.00 0.73 C ATOM 1479 O VAL A 122 7.728 0.493 -5.741 1.00 0.95 O ATOM 1480 CB VAL A 122 6.195 1.336 -3.092 1.00 0.77 C ATOM 1481 CG1 VAL A 122 6.130 -0.188 -3.183 1.00 1.61 C ATOM 1482 CG2 VAL A 122 7.228 1.779 -2.062 1.00 1.52 C ATOM 0 H VAL A 122 5.069 0.665 -5.341 1.00 0.49 H new ATOM 0 HA VAL A 122 6.492 2.971 -4.164 1.00 0.61 H new ATOM 0 HB VAL A 122 5.225 1.694 -2.748 1.00 0.77 H new ATOM 0 HG11 VAL A 122 5.961 -0.605 -2.190 1.00 1.61 H new ATOM 0 HG12 VAL A 122 5.312 -0.479 -3.843 1.00 1.61 H new ATOM 0 HG13 VAL A 122 7.070 -0.569 -3.581 1.00 1.61 H new ATOM 0 HG21 VAL A 122 7.017 1.301 -1.106 1.00 1.52 H new ATOM 0 HG22 VAL A 122 8.224 1.492 -2.399 1.00 1.52 H new ATOM 0 HG23 VAL A 122 7.183 2.862 -1.944 1.00 1.52 H new ATOM 1492 N LYS A 123 8.802 2.066 -4.546 1.00 0.76 N ATOM 1493 CA LYS A 123 10.142 1.651 -4.914 1.00 0.97 C ATOM 1494 C LYS A 123 11.084 2.058 -3.801 1.00 1.04 C ATOM 1495 O LYS A 123 10.873 3.080 -3.153 1.00 1.02 O ATOM 1496 CB LYS A 123 10.590 2.233 -6.270 1.00 1.11 C ATOM 1497 CG LYS A 123 10.324 3.722 -6.460 1.00 1.66 C ATOM 1498 CD LYS A 123 8.888 3.986 -6.889 1.00 2.03 C ATOM 1499 CE LYS A 123 8.630 5.463 -7.121 1.00 2.74 C ATOM 1500 NZ LYS A 123 7.186 5.746 -7.324 1.00 3.45 N ATOM 0 H LYS A 123 8.774 2.919 -3.988 1.00 0.76 H new ATOM 0 HA LYS A 123 10.155 0.569 -5.041 1.00 0.97 H new ATOM 0 HB2 LYS A 123 11.659 2.054 -6.388 1.00 1.11 H new ATOM 0 HB3 LYS A 123 10.085 1.686 -7.066 1.00 1.11 H new ATOM 0 HG2 LYS A 123 10.529 4.250 -5.529 1.00 1.66 H new ATOM 0 HG3 LYS A 123 11.007 4.121 -7.210 1.00 1.66 H new ATOM 0 HD2 LYS A 123 8.674 3.432 -7.803 1.00 2.03 H new ATOM 0 HD3 LYS A 123 8.206 3.614 -6.124 1.00 2.03 H new ATOM 0 HE2 LYS A 123 8.996 6.034 -6.268 1.00 2.74 H new ATOM 0 HE3 LYS A 123 9.192 5.797 -7.993 1.00 2.74 H new ATOM 0 HZ1 LYS A 123 7.051 6.765 -7.479 1.00 3.45 H new ATOM 0 HZ2 LYS A 123 6.843 5.221 -8.153 1.00 3.45 H new ATOM 0 HZ3 LYS A 123 6.653 5.450 -6.482 1.00 3.45 H new