USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=10 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 111 LYS NZ :NH3+ 150:sc= 0.662 (180deg=0.162) USER MOD Set 1.2: A 118 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 85 SER OG : rot 106:sc= 1.06 USER MOD Set 2.2: A 87 ASN : amide:sc= 0.807 K(o=1.9,f=-3.8!) USER MOD Set 3.1: A 32 GLN : amide:sc= -0.882 X(o=-0.88,f=-0.71) USER MOD Set 3.2: A 41 GLN : amide:sc= 0 X(o=-0.88,f=-1.3) USER MOD Single : A 38 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc=-0.00907 X(o=-0.0091,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.433 X(o=-0.43,f=-0.26) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.421 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) 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+ 168:sc= 1.27 (180deg=1.03) USER MOD Single : A 108 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-0.044) USER MOD Single : A 109 MET CE :methyl -115:sc= 0 (180deg=-1.95) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= -0.305 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 29 6.568 -2.525 -6.364 1.00 1.43 N ATOM 51 CA GLY A 29 5.648 -2.403 -5.254 1.00 0.99 C ATOM 52 C GLY A 29 4.312 -1.860 -5.689 1.00 0.78 C ATOM 53 O GLY A 29 3.778 -0.962 -5.054 1.00 1.00 O ATOM 0 HA2 GLY A 29 5.509 -3.379 -4.789 1.00 0.99 H new ATOM 0 HA3 GLY A 29 6.077 -1.747 -4.497 1.00 0.99 H new ATOM 57 N ALA A 30 3.776 -2.387 -6.778 1.00 0.70 N ATOM 58 CA ALA A 30 2.524 -1.886 -7.323 1.00 0.54 C ATOM 59 C ALA A 30 1.344 -2.723 -6.844 1.00 0.49 C ATOM 60 O ALA A 30 1.117 -3.829 -7.326 1.00 0.60 O ATOM 61 CB ALA A 30 2.581 -1.873 -8.842 1.00 0.68 C ATOM 0 H ALA A 30 4.187 -3.160 -7.301 1.00 0.70 H new ATOM 0 HA ALA A 30 2.381 -0.866 -6.966 1.00 0.54 H new ATOM 0 HB1 ALA A 30 1.638 -1.496 -9.238 1.00 0.68 H new ATOM 0 HB2 ALA A 30 3.396 -1.228 -9.170 1.00 0.68 H new ATOM 0 HB3 ALA A 30 2.750 -2.886 -9.208 1.00 0.68 H new ATOM 67 N ILE A 31 0.596 -2.201 -5.893 1.00 0.40 N ATOM 68 CA ILE A 31 -0.544 -2.918 -5.355 1.00 0.39 C ATOM 69 C ILE A 31 -1.755 -2.003 -5.215 1.00 0.35 C ATOM 70 O ILE A 31 -1.624 -0.812 -4.938 1.00 0.36 O ATOM 71 CB ILE A 31 -0.249 -3.508 -4.199 1.00 0.46 C ATOM 72 CG1 ILE A 31 -1.406 -4.352 -3.675 1.00 0.48 C ATOM 73 CG2 ILE A 31 0.218 -2.498 -3.151 1.00 0.52 C ATOM 74 CD1 ILE A 31 -1.172 -4.921 -2.290 1.00 0.90 C ATOM 0 H ILE A 31 0.756 -1.284 -5.477 1.00 0.40 H new ATOM 0 HA ILE A 31 -0.801 -3.703 -6.066 1.00 0.39 H new ATOM 0 HB ILE A 31 0.582 -4.186 -4.397 1.00 0.46 H new ATOM 0 HG12 ILE A 31 -2.310 -3.743 -3.659 1.00 0.48 H new ATOM 0 HG13 ILE A 31 -1.588 -5.173 -4.369 1.00 0.48 H new ATOM 0 HG21 ILE A 31 0.449 -3.019 -2.222 1.00 0.52 H new ATOM 0 HG22 ILE A 31 1.110 -1.986 -3.512 1.00 0.52 H new ATOM 0 HG23 ILE A 31 -0.572 -1.768 -2.971 1.00 0.52 H new ATOM 0 HD11 ILE A 31 -2.039 -5.509 -1.987 1.00 0.90 H new ATOM 0 HD12 ILE A 31 -0.288 -5.558 -2.303 1.00 0.90 H new ATOM 0 HD13 ILE A 31 -1.021 -4.106 -1.582 1.00 0.90 H new ATOM 86 N GLN A 32 -2.918 -2.542 -5.530 1.00 0.38 N ATOM 87 CA GLN A 32 -4.159 -1.803 -5.393 1.00 0.40 C ATOM 88 C GLN A 32 -4.984 -2.364 -4.249 1.00 0.37 C ATOM 89 O GLN A 32 -5.333 -3.550 -4.235 1.00 0.44 O ATOM 90 CB GLN A 32 -4.970 -1.819 -6.691 1.00 0.50 C ATOM 91 CG GLN A 32 -5.344 -3.199 -7.201 1.00 0.55 C ATOM 92 CD GLN A 32 -6.404 -3.155 -8.283 1.00 1.11 C ATOM 93 OE1 GLN A 32 -6.091 -3.096 -9.471 1.00 2.22 O ATOM 94 NE2 GLN A 32 -7.663 -3.179 -7.881 1.00 0.93 N ATOM 0 H GLN A 32 -3.029 -3.492 -5.884 1.00 0.38 H new ATOM 0 HA GLN A 32 -3.905 -0.766 -5.173 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -5.884 -1.246 -6.537 1.00 0.50 H new ATOM 0 HB3 GLN A 32 -4.399 -1.306 -7.464 1.00 0.50 H new ATOM 0 HG2 GLN A 32 -4.453 -3.692 -7.591 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -5.705 -3.804 -6.369 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -7.880 -3.228 -6.885 1.00 0.93 H new ATOM 0 HE22 GLN A 32 -8.418 -3.148 -8.566 1.00 0.93 H new ATOM 103 N LEU A 33 -5.280 -1.522 -3.282 1.00 0.34 N ATOM 104 CA LEU A 33 -6.070 -1.949 -2.142 1.00 0.36 C ATOM 105 C LEU A 33 -7.310 -1.085 -1.990 1.00 0.35 C ATOM 106 O LEU A 33 -7.336 0.064 -2.412 1.00 0.43 O ATOM 107 CB LEU A 33 -5.218 -1.960 -0.863 1.00 0.45 C ATOM 108 CG LEU A 33 -4.498 -0.652 -0.502 1.00 0.46 C ATOM 109 CD1 LEU A 33 -5.426 0.305 0.229 1.00 0.72 C ATOM 110 CD2 LEU A 33 -3.268 -0.947 0.345 1.00 0.71 C ATOM 0 H LEU A 33 -4.989 -0.545 -3.260 1.00 0.34 H new ATOM 0 HA LEU A 33 -6.407 -2.971 -2.317 1.00 0.36 H new ATOM 0 HB2 LEU A 33 -5.862 -2.236 -0.028 1.00 0.45 H new ATOM 0 HB3 LEU A 33 -4.468 -2.745 -0.960 1.00 0.45 H new ATOM 0 HG LEU A 33 -4.185 -0.172 -1.429 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -4.887 1.221 0.471 1.00 0.72 H new ATOM 0 HD12 LEU A 33 -6.278 0.543 -0.407 1.00 0.72 H new ATOM 0 HD13 LEU A 33 -5.779 -0.162 1.149 1.00 0.72 H new ATOM 0 HD21 LEU A 33 -2.766 -0.012 0.595 1.00 0.71 H new ATOM 0 HD22 LEU A 33 -3.570 -1.453 1.262 1.00 0.71 H new ATOM 0 HD23 LEU A 33 -2.586 -1.587 -0.215 1.00 0.71 H new ATOM 122 N ASP A 34 -8.343 -1.663 -1.414 1.00 0.35 N ATOM 123 CA ASP A 34 -9.599 -0.959 -1.192 1.00 0.45 C ATOM 124 C ASP A 34 -9.427 0.089 -0.100 1.00 0.53 C ATOM 125 O ASP A 34 -8.568 -0.042 0.771 1.00 0.58 O ATOM 126 CB ASP A 34 -10.703 -1.965 -0.842 1.00 0.55 C ATOM 127 CG ASP A 34 -11.350 -1.706 0.502 1.00 0.65 C ATOM 128 OD1 ASP A 34 -10.791 -2.149 1.527 1.00 0.88 O ATOM 129 OD2 ASP A 34 -12.419 -1.060 0.537 1.00 1.15 O ATOM 0 H ASP A 34 -8.341 -2.629 -1.086 1.00 0.35 H new ATOM 0 HA ASP A 34 -9.893 -0.440 -2.104 1.00 0.45 H new ATOM 0 HB2 ASP A 34 -11.469 -1.936 -1.617 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -10.282 -2.971 -0.846 1.00 0.55 H new ATOM 134 N GLY A 35 -10.258 1.119 -0.154 1.00 0.67 N ATOM 135 CA GLY A 35 -10.122 2.258 0.743 1.00 0.84 C ATOM 136 C GLY A 35 -10.626 1.981 2.144 1.00 0.85 C ATOM 137 O GLY A 35 -11.108 2.882 2.835 1.00 1.20 O ATOM 0 H GLY A 35 -11.035 1.190 -0.811 1.00 0.67 H new ATOM 0 HA2 GLY A 35 -9.073 2.549 0.793 1.00 0.84 H new ATOM 0 HA3 GLY A 35 -10.669 3.105 0.329 1.00 0.84 H new ATOM 141 N ASP A 36 -10.504 0.740 2.553 1.00 0.69 N ATOM 142 CA ASP A 36 -10.942 0.297 3.862 1.00 0.83 C ATOM 143 C ASP A 36 -9.881 -0.599 4.498 1.00 0.83 C ATOM 144 O ASP A 36 -9.697 -0.599 5.716 1.00 1.10 O ATOM 145 CB ASP A 36 -12.269 -0.444 3.725 1.00 0.89 C ATOM 146 CG ASP A 36 -12.682 -1.153 5.003 1.00 1.24 C ATOM 147 OD1 ASP A 36 -12.904 -2.384 4.954 1.00 1.81 O ATOM 148 OD2 ASP A 36 -12.759 -0.503 6.067 1.00 1.77 O ATOM 0 H ASP A 36 -10.094 -0.000 1.983 1.00 0.69 H new ATOM 0 HA ASP A 36 -11.085 1.161 4.511 1.00 0.83 H new ATOM 0 HB2 ASP A 36 -13.047 0.264 3.440 1.00 0.89 H new ATOM 0 HB3 ASP A 36 -12.191 -1.174 2.919 1.00 0.89 H new ATOM 153 N GLY A 37 -9.181 -1.363 3.664 1.00 0.67 N ATOM 154 CA GLY A 37 -8.075 -2.167 4.154 1.00 0.81 C ATOM 155 C GLY A 37 -8.032 -3.553 3.542 1.00 0.78 C ATOM 156 O GLY A 37 -7.392 -4.457 4.084 1.00 1.05 O ATOM 0 H GLY A 37 -9.359 -1.440 2.663 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -7.138 -1.653 3.941 1.00 0.81 H new ATOM 0 HA3 GLY A 37 -8.151 -2.257 5.238 1.00 0.81 H new ATOM 160 N ASN A 38 -8.707 -3.725 2.418 1.00 0.61 N ATOM 161 CA ASN A 38 -8.752 -5.015 1.739 1.00 0.73 C ATOM 162 C ASN A 38 -7.916 -4.985 0.464 1.00 0.57 C ATOM 163 O ASN A 38 -8.075 -4.095 -0.367 1.00 0.49 O ATOM 164 CB ASN A 38 -10.197 -5.387 1.404 1.00 0.95 C ATOM 165 CG ASN A 38 -11.076 -5.494 2.635 1.00 1.13 C ATOM 166 OD1 ASN A 38 -11.222 -6.568 3.223 1.00 1.57 O ATOM 167 ND2 ASN A 38 -11.661 -4.377 3.035 1.00 1.38 N ATOM 0 H ASN A 38 -9.234 -2.986 1.953 1.00 0.61 H new ATOM 0 HA ASN A 38 -8.336 -5.767 2.410 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -10.613 -4.638 0.730 1.00 0.95 H new ATOM 0 HB3 ASN A 38 -10.209 -6.338 0.871 1.00 0.95 H new ATOM 0 HD21 ASN A 38 -12.261 -4.383 3.860 1.00 1.38 H new ATOM 0 HD22 ASN A 38 -11.512 -3.510 2.518 1.00 1.38 H new ATOM 174 N ILE A 39 -7.030 -5.959 0.309 1.00 0.65 N ATOM 175 CA ILE A 39 -6.152 -6.021 -0.850 1.00 0.57 C ATOM 176 C ILE A 39 -6.900 -6.575 -2.058 1.00 0.59 C ATOM 177 O ILE A 39 -7.289 -7.741 -2.070 1.00 0.77 O ATOM 178 CB ILE A 39 -5.113 -6.796 -0.595 1.00 0.62 C ATOM 179 CG1 ILE A 39 -4.362 -6.324 0.657 1.00 0.72 C ATOM 180 CG2 ILE A 39 -4.172 -6.859 -1.798 1.00 0.61 C ATOM 181 CD1 ILE A 39 -3.793 -4.924 0.549 1.00 1.18 C ATOM 0 H ILE A 39 -6.900 -6.720 0.975 1.00 0.65 H new ATOM 0 HA ILE A 39 -5.810 -5.010 -1.070 1.00 0.57 H new ATOM 0 HB ILE A 39 -5.488 -7.801 -0.402 1.00 0.62 H new ATOM 0 HG12 ILE A 39 -5.039 -6.364 1.510 1.00 0.72 H new ATOM 0 HG13 ILE A 39 -3.549 -7.020 0.863 1.00 0.72 H new ATOM 0 HG21 ILE A 39 -3.324 -7.503 -1.564 1.00 0.61 H new ATOM 0 HG22 ILE A 39 -4.707 -7.262 -2.658 1.00 0.61 H new ATOM 0 HG23 ILE A 39 -3.813 -5.857 -2.032 1.00 0.61 H new ATOM 0 HD11 ILE A 39 -3.278 -4.668 1.475 1.00 1.18 H new ATOM 0 HD12 ILE A 39 -3.088 -4.881 -0.282 1.00 1.18 H new ATOM 0 HD13 ILE A 39 -4.602 -4.215 0.376 1.00 1.18 H new ATOM 193 N LEU A 40 -7.061 -5.755 -3.089 1.00 0.51 N ATOM 194 CA LEU A 40 -7.872 -6.138 -4.233 1.00 0.61 C ATOM 195 C LEU A 40 -7.041 -6.906 -5.242 1.00 0.60 C ATOM 196 O LEU A 40 -7.445 -7.963 -5.724 1.00 0.72 O ATOM 197 CB LEU A 40 -8.476 -4.900 -4.897 1.00 0.66 C ATOM 198 CG LEU A 40 -9.339 -4.028 -3.988 1.00 1.07 C ATOM 199 CD1 LEU A 40 -9.874 -2.833 -4.760 1.00 1.56 C ATOM 200 CD2 LEU A 40 -10.480 -4.838 -3.386 1.00 1.54 C ATOM 0 H LEU A 40 -6.643 -4.827 -3.155 1.00 0.51 H new ATOM 0 HA LEU A 40 -8.678 -6.780 -3.878 1.00 0.61 H new ATOM 0 HB2 LEU A 40 -7.666 -4.290 -5.296 1.00 0.66 H new ATOM 0 HB3 LEU A 40 -9.080 -5.221 -5.745 1.00 0.66 H new ATOM 0 HG LEU A 40 -8.719 -3.662 -3.169 1.00 1.07 H new ATOM 0 HD11 LEU A 40 -10.488 -2.219 -4.101 1.00 1.56 H new ATOM 0 HD12 LEU A 40 -9.040 -2.240 -5.136 1.00 1.56 H new ATOM 0 HD13 LEU A 40 -10.478 -3.182 -5.598 1.00 1.56 H new ATOM 0 HD21 LEU A 40 -11.081 -4.196 -2.742 1.00 1.54 H new ATOM 0 HD22 LEU A 40 -11.104 -5.237 -4.185 1.00 1.54 H new ATOM 0 HD23 LEU A 40 -10.072 -5.661 -2.799 1.00 1.54 H new ATOM 212 N GLN A 41 -5.870 -6.374 -5.551 1.00 0.50 N ATOM 213 CA GLN A 41 -5.009 -6.993 -6.551 1.00 0.55 C ATOM 214 C GLN A 41 -3.562 -6.545 -6.393 1.00 0.46 C ATOM 215 O GLN A 41 -3.286 -5.383 -6.084 1.00 0.46 O ATOM 216 CB GLN A 41 -5.511 -6.669 -7.962 1.00 0.67 C ATOM 217 CG GLN A 41 -4.788 -7.437 -9.057 1.00 1.08 C ATOM 218 CD GLN A 41 -5.363 -7.183 -10.435 1.00 1.73 C ATOM 219 OE1 GLN A 41 -5.872 -6.099 -10.722 1.00 2.41 O ATOM 220 NE2 GLN A 41 -5.291 -8.184 -11.296 1.00 2.37 N ATOM 0 H GLN A 41 -5.495 -5.524 -5.130 1.00 0.50 H new ATOM 0 HA GLN A 41 -5.046 -8.072 -6.399 1.00 0.55 H new ATOM 0 HB2 GLN A 41 -6.577 -6.889 -8.019 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.396 -5.600 -8.143 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -3.734 -7.160 -9.052 1.00 1.08 H new ATOM 0 HG3 GLN A 41 -4.838 -8.504 -8.839 1.00 1.08 H new ATOM 0 HE21 GLN A 41 -4.861 -9.066 -11.018 1.00 2.37 H new ATOM 0 HE22 GLN A 41 -5.665 -8.074 -12.238 1.00 2.37 H new ATOM 229 N TYR A 42 -2.647 -7.474 -6.617 1.00 0.57 N ATOM 230 CA TYR A 42 -1.223 -7.223 -6.460 1.00 0.58 C ATOM 231 C TYR A 42 -0.519 -7.319 -7.811 1.00 0.65 C ATOM 232 O TYR A 42 -0.520 -8.375 -8.446 1.00 0.79 O ATOM 233 CB TYR A 42 -0.647 -8.242 -5.476 1.00 0.71 C ATOM 234 CG TYR A 42 0.808 -8.048 -5.117 1.00 0.82 C ATOM 235 CD1 TYR A 42 1.707 -9.100 -5.234 1.00 1.09 C ATOM 236 CD2 TYR A 42 1.278 -6.830 -4.638 1.00 0.82 C ATOM 237 CE1 TYR A 42 3.031 -8.951 -4.883 1.00 1.26 C ATOM 238 CE2 TYR A 42 2.609 -6.670 -4.289 1.00 1.02 C ATOM 239 CZ TYR A 42 3.479 -7.736 -4.412 1.00 1.21 C ATOM 240 OH TYR A 42 4.803 -7.591 -4.059 1.00 1.42 O ATOM 0 H TYR A 42 -2.870 -8.424 -6.913 1.00 0.57 H new ATOM 0 HA TYR A 42 -1.066 -6.217 -6.070 1.00 0.58 H new ATOM 0 HB2 TYR A 42 -1.237 -8.210 -4.560 1.00 0.71 H new ATOM 0 HB3 TYR A 42 -0.769 -9.239 -5.899 1.00 0.71 H new ATOM 0 HD1 TYR A 42 1.362 -10.053 -5.607 1.00 1.09 H new ATOM 0 HD2 TYR A 42 0.597 -5.998 -4.537 1.00 0.82 H new ATOM 0 HE1 TYR A 42 3.714 -9.782 -4.977 1.00 1.26 H new ATOM 0 HE2 TYR A 42 2.964 -5.718 -3.923 1.00 1.02 H new ATOM 0 HH TYR A 42 4.960 -6.675 -3.747 1.00 1.42 H new ATOM 250 N ASN A 43 0.071 -6.214 -8.251 1.00 0.63 N ATOM 251 CA ASN A 43 0.753 -6.174 -9.539 1.00 0.75 C ATOM 252 C ASN A 43 2.252 -6.301 -9.333 1.00 0.92 C ATOM 253 O ASN A 43 2.949 -5.302 -9.142 1.00 1.02 O ATOM 254 CB ASN A 43 0.454 -4.865 -10.284 1.00 0.78 C ATOM 255 CG ASN A 43 -1.020 -4.660 -10.579 1.00 0.73 C ATOM 256 OD1 ASN A 43 -1.519 -5.063 -11.628 1.00 1.21 O ATOM 257 ND2 ASN A 43 -1.727 -4.024 -9.657 1.00 0.88 N ATOM 0 H ASN A 43 0.091 -5.334 -7.735 1.00 0.63 H new ATOM 0 HA ASN A 43 0.388 -7.007 -10.139 1.00 0.75 H new ATOM 0 HB2 ASN A 43 0.818 -4.027 -9.690 1.00 0.78 H new ATOM 0 HB3 ASN A 43 1.009 -4.855 -11.222 1.00 0.78 H new ATOM 0 HD21 ASN A 43 -2.722 -3.853 -9.805 1.00 0.88 H new ATOM 0 HD22 ASN A 43 -1.277 -3.705 -8.799 1.00 0.88 H new ATOM 756 N GLY A 77 0.862 6.170 4.104 1.00 3.20 N ATOM 757 CA GLY A 77 1.472 7.475 4.255 1.00 2.71 C ATOM 758 C GLY A 77 0.469 8.526 4.651 1.00 1.94 C ATOM 759 O GLY A 77 0.412 8.947 5.805 1.00 2.44 O ATOM 0 HA2 GLY A 77 2.258 7.422 5.008 1.00 2.71 H new ATOM 0 HA3 GLY A 77 1.948 7.763 3.318 1.00 2.71 H new ATOM 763 N LYS A 78 -0.339 8.938 3.694 1.00 1.39 N ATOM 764 CA LYS A 78 -1.358 9.940 3.944 1.00 1.29 C ATOM 765 C LYS A 78 -2.685 9.275 4.276 1.00 1.03 C ATOM 766 O LYS A 78 -3.690 9.948 4.403 1.00 1.02 O ATOM 767 CB LYS A 78 -1.529 10.843 2.718 1.00 2.10 C ATOM 768 CG LYS A 78 -0.270 11.592 2.308 1.00 2.61 C ATOM 769 CD LYS A 78 0.176 12.572 3.381 1.00 3.18 C ATOM 770 CE LYS A 78 1.337 13.428 2.901 1.00 3.78 C ATOM 771 NZ LYS A 78 1.750 14.429 3.919 1.00 4.14 N ATOM 0 H LYS A 78 -0.310 8.594 2.734 1.00 1.39 H new ATOM 0 HA LYS A 78 -1.041 10.546 4.793 1.00 1.29 H new ATOM 0 HB2 LYS A 78 -1.865 10.235 1.878 1.00 2.10 H new ATOM 0 HB3 LYS A 78 -2.317 11.567 2.923 1.00 2.10 H new ATOM 0 HG2 LYS A 78 0.530 10.878 2.112 1.00 2.61 H new ATOM 0 HG3 LYS A 78 -0.453 12.130 1.378 1.00 2.61 H new ATOM 0 HD2 LYS A 78 -0.660 13.213 3.661 1.00 3.18 H new ATOM 0 HD3 LYS A 78 0.471 12.025 4.276 1.00 3.18 H new ATOM 0 HE2 LYS A 78 2.184 12.787 2.659 1.00 3.78 H new ATOM 0 HE3 LYS A 78 1.053 13.941 1.982 1.00 3.78 H new ATOM 0 HZ1 LYS A 78 2.544 14.991 3.551 1.00 4.14 H new ATOM 0 HZ2 LYS A 78 0.950 15.058 4.132 1.00 4.14 H new ATOM 0 HZ3 LYS A 78 2.046 13.939 4.787 1.00 4.14 H new ATOM 785 N PHE A 79 -2.661 7.959 4.465 1.00 0.95 N ATOM 786 CA PHE A 79 -3.882 7.148 4.539 1.00 0.77 C ATOM 787 C PHE A 79 -4.916 7.721 5.515 1.00 0.70 C ATOM 788 O PHE A 79 -6.128 7.673 5.230 1.00 0.64 O ATOM 789 CB PHE A 79 -3.536 5.710 4.933 1.00 0.88 C ATOM 790 CG PHE A 79 -4.514 4.692 4.410 1.00 0.79 C ATOM 791 CD1 PHE A 79 -5.569 4.246 5.190 1.00 0.86 C ATOM 792 CD2 PHE A 79 -4.373 4.183 3.129 1.00 0.78 C ATOM 793 CE1 PHE A 79 -6.464 3.312 4.700 1.00 0.85 C ATOM 794 CE2 PHE A 79 -5.264 3.251 2.635 1.00 0.84 C ATOM 795 CZ PHE A 79 -6.310 2.815 3.420 1.00 0.82 C ATOM 0 H PHE A 79 -1.800 7.422 4.571 1.00 0.95 H new ATOM 0 HA PHE A 79 -4.333 7.163 3.547 1.00 0.77 H new ATOM 0 HB2 PHE A 79 -2.540 5.470 4.561 1.00 0.88 H new ATOM 0 HB3 PHE A 79 -3.496 5.639 6.020 1.00 0.88 H new ATOM 0 HD1 PHE A 79 -5.694 4.632 6.191 1.00 0.86 H new ATOM 0 HD2 PHE A 79 -3.555 4.520 2.509 1.00 0.78 H new ATOM 0 HE1 PHE A 79 -7.282 2.972 5.317 1.00 0.85 H new ATOM 0 HE2 PHE A 79 -5.142 2.864 1.634 1.00 0.84 H new ATOM 0 HZ PHE A 79 -7.008 2.086 3.035 1.00 0.82 H new ATOM 805 N LYS A 80 -4.440 8.301 6.630 1.00 0.82 N ATOM 806 CA LYS A 80 -5.341 8.836 7.654 1.00 0.89 C ATOM 807 C LYS A 80 -6.120 10.031 7.123 1.00 0.81 C ATOM 808 O LYS A 80 -7.252 10.292 7.532 1.00 0.87 O ATOM 809 CB LYS A 80 -4.567 9.231 8.913 1.00 1.12 C ATOM 810 CG LYS A 80 -4.313 8.070 9.859 1.00 1.66 C ATOM 811 CD LYS A 80 -5.619 7.485 10.373 1.00 2.17 C ATOM 812 CE LYS A 80 -5.383 6.434 11.446 1.00 2.87 C ATOM 813 NZ LYS A 80 -6.660 5.922 12.012 1.00 3.48 N ATOM 0 H LYS A 80 -3.448 8.409 6.840 1.00 0.82 H new ATOM 0 HA LYS A 80 -6.048 8.049 7.915 1.00 0.89 H new ATOM 0 HB2 LYS A 80 -3.611 9.666 8.621 1.00 1.12 H new ATOM 0 HB3 LYS A 80 -5.122 10.006 9.442 1.00 1.12 H new ATOM 0 HG2 LYS A 80 -3.742 7.297 9.345 1.00 1.66 H new ATOM 0 HG3 LYS A 80 -3.707 8.408 10.700 1.00 1.66 H new ATOM 0 HD2 LYS A 80 -6.241 8.284 10.777 1.00 2.17 H new ATOM 0 HD3 LYS A 80 -6.170 7.041 9.544 1.00 2.17 H new ATOM 0 HE2 LYS A 80 -4.815 5.605 11.023 1.00 2.87 H new ATOM 0 HE3 LYS A 80 -4.777 6.861 12.245 1.00 2.87 H new ATOM 0 HZ1 LYS A 80 -6.455 5.208 12.740 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -7.191 6.708 12.438 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -7.228 5.491 11.254 1.00 3.48 H new ATOM 827 N GLU A 81 -5.502 10.752 6.213 1.00 0.78 N ATOM 828 CA GLU A 81 -6.157 11.845 5.530 1.00 0.78 C ATOM 829 C GLU A 81 -6.842 11.307 4.286 1.00 0.62 C ATOM 830 O GLU A 81 -7.990 11.632 4.020 1.00 0.64 O ATOM 831 CB GLU A 81 -5.128 12.921 5.156 1.00 0.96 C ATOM 832 CG GLU A 81 -5.732 14.170 4.539 1.00 1.53 C ATOM 833 CD GLU A 81 -6.483 15.014 5.544 1.00 2.31 C ATOM 834 OE1 GLU A 81 -7.701 14.792 5.722 1.00 3.07 O ATOM 835 OE2 GLU A 81 -5.861 15.897 6.170 1.00 2.63 O ATOM 0 H GLU A 81 -4.535 10.598 5.927 1.00 0.78 H new ATOM 0 HA GLU A 81 -6.902 12.298 6.184 1.00 0.78 H new ATOM 0 HB2 GLU A 81 -4.572 13.203 6.050 1.00 0.96 H new ATOM 0 HB3 GLU A 81 -4.410 12.494 4.456 1.00 0.96 H new ATOM 0 HG2 GLU A 81 -4.939 14.768 4.089 1.00 1.53 H new ATOM 0 HG3 GLU A 81 -6.409 13.882 3.735 1.00 1.53 H new ATOM 842 N GLY A 82 -6.139 10.408 3.596 1.00 0.55 N ATOM 843 CA GLY A 82 -6.554 9.894 2.319 1.00 0.47 C ATOM 844 C GLY A 82 -7.966 9.382 2.335 1.00 0.46 C ATOM 845 O GLY A 82 -8.737 9.600 1.399 1.00 0.49 O ATOM 0 H GLY A 82 -5.255 10.020 3.925 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -6.465 10.679 1.569 1.00 0.47 H new ATOM 0 HA3 GLY A 82 -5.883 9.089 2.020 1.00 0.47 H new ATOM 849 N VAL A 83 -8.289 8.703 3.420 1.00 0.51 N ATOM 850 CA VAL A 83 -9.611 8.128 3.613 1.00 0.61 C ATOM 851 C VAL A 83 -10.670 9.219 3.714 1.00 0.70 C ATOM 852 O VAL A 83 -11.653 9.217 2.974 1.00 0.79 O ATOM 853 CB VAL A 83 -9.644 7.392 4.715 1.00 0.70 C ATOM 854 CG1 VAL A 83 -11.054 6.879 5.004 1.00 0.85 C ATOM 855 CG2 VAL A 83 -8.673 6.229 4.617 1.00 0.69 C ATOM 0 H VAL A 83 -7.645 8.534 4.192 1.00 0.51 H new ATOM 0 HA VAL A 83 -9.825 7.499 2.748 1.00 0.61 H new ATOM 0 HB VAL A 83 -9.341 8.033 5.543 1.00 0.70 H new ATOM 0 HG11 VAL A 83 -11.044 6.280 5.914 1.00 0.85 H new ATOM 0 HG12 VAL A 83 -11.729 7.725 5.134 1.00 0.85 H new ATOM 0 HG13 VAL A 83 -11.396 6.266 4.170 1.00 0.85 H new ATOM 0 HG21 VAL A 83 -8.718 5.639 5.533 1.00 0.69 H new ATOM 0 HG22 VAL A 83 -8.942 5.601 3.768 1.00 0.69 H new ATOM 0 HG23 VAL A 83 -7.661 6.610 4.480 1.00 0.69 H new ATOM 865 N ALA A 84 -10.436 10.179 4.598 1.00 0.76 N ATOM 866 CA ALA A 84 -11.473 11.132 4.951 1.00 0.94 C ATOM 867 C ALA A 84 -11.503 12.320 4.017 1.00 0.88 C ATOM 868 O ALA A 84 -12.561 12.911 3.786 1.00 1.07 O ATOM 869 CB ALA A 84 -11.322 11.583 6.397 1.00 1.12 C ATOM 0 H ALA A 84 -9.547 10.316 5.078 1.00 0.76 H new ATOM 0 HA ALA A 84 -12.429 10.619 4.844 1.00 0.94 H new ATOM 0 HB1 ALA A 84 -12.109 12.297 6.640 1.00 1.12 H new ATOM 0 HB2 ALA A 84 -11.399 10.719 7.057 1.00 1.12 H new ATOM 0 HB3 ALA A 84 -10.349 12.057 6.531 1.00 1.12 H new ATOM 875 N SER A 85 -10.359 12.671 3.473 1.00 0.76 N ATOM 876 CA SER A 85 -10.305 13.728 2.488 1.00 0.84 C ATOM 877 C SER A 85 -10.897 13.213 1.188 1.00 0.94 C ATOM 878 O SER A 85 -11.479 13.966 0.408 1.00 1.22 O ATOM 879 CB SER A 85 -8.866 14.196 2.278 1.00 1.19 C ATOM 880 OG SER A 85 -8.047 13.134 1.819 1.00 1.88 O ATOM 0 H SER A 85 -9.460 12.244 3.694 1.00 0.76 H new ATOM 0 HA SER A 85 -10.882 14.584 2.838 1.00 0.84 H new ATOM 0 HB2 SER A 85 -8.847 15.012 1.556 1.00 1.19 H new ATOM 0 HB3 SER A 85 -8.468 14.589 3.213 1.00 1.19 H new ATOM 0 HG SER A 85 -7.848 13.262 0.868 1.00 1.88 H new ATOM 886 N GLY A 86 -10.761 11.904 0.981 1.00 0.96 N ATOM 887 CA GLY A 86 -11.292 11.284 -0.208 1.00 1.46 C ATOM 888 C GLY A 86 -10.423 11.580 -1.399 1.00 1.21 C ATOM 889 O GLY A 86 -10.885 11.583 -2.540 1.00 1.66 O ATOM 0 H GLY A 86 -10.290 11.266 1.622 1.00 0.96 H new ATOM 0 HA2 GLY A 86 -11.361 10.206 -0.062 1.00 1.46 H new ATOM 0 HA3 GLY A 86 -12.304 11.646 -0.391 1.00 1.46 H new ATOM 893 N ASN A 87 -9.154 11.836 -1.130 1.00 0.66 N ATOM 894 CA ASN A 87 -8.209 12.189 -2.185 1.00 0.67 C ATOM 895 C ASN A 87 -6.804 11.709 -1.866 1.00 0.52 C ATOM 896 O ASN A 87 -5.827 12.448 -1.966 1.00 0.72 O ATOM 897 CB ASN A 87 -8.231 13.705 -2.471 1.00 0.95 C ATOM 898 CG ASN A 87 -7.941 14.579 -1.259 1.00 1.40 C ATOM 899 OD1 ASN A 87 -7.172 14.214 -0.371 1.00 2.08 O ATOM 900 ND2 ASN A 87 -8.569 15.744 -1.212 1.00 1.72 N ATOM 0 H ASN A 87 -8.751 11.807 -0.193 1.00 0.66 H new ATOM 0 HA ASN A 87 -8.528 11.674 -3.091 1.00 0.67 H new ATOM 0 HB2 ASN A 87 -7.498 13.926 -3.247 1.00 0.95 H new ATOM 0 HB3 ASN A 87 -9.209 13.973 -2.871 1.00 0.95 H new ATOM 0 HD21 ASN A 87 -8.422 16.371 -0.421 1.00 1.72 H new ATOM 0 HD22 ASN A 87 -9.200 16.014 -1.967 1.00 1.72 H new ATOM 907 N LEU A 88 -6.714 10.448 -1.495 1.00 0.40 N ATOM 908 CA LEU A 88 -5.438 9.819 -1.228 1.00 0.32 C ATOM 909 C LEU A 88 -4.654 9.582 -2.503 1.00 0.30 C ATOM 910 O LEU A 88 -4.635 8.473 -3.022 1.00 0.34 O ATOM 911 CB LEU A 88 -5.645 8.489 -0.532 1.00 0.37 C ATOM 912 CG LEU A 88 -4.634 8.197 0.545 1.00 0.42 C ATOM 913 CD1 LEU A 88 -5.014 6.940 1.304 1.00 0.56 C ATOM 914 CD2 LEU A 88 -3.224 8.084 -0.012 1.00 0.48 C ATOM 0 H LEU A 88 -7.519 9.834 -1.371 1.00 0.40 H new ATOM 0 HA LEU A 88 -4.872 10.496 -0.588 1.00 0.32 H new ATOM 0 HB2 LEU A 88 -6.643 8.472 -0.094 1.00 0.37 H new ATOM 0 HB3 LEU A 88 -5.609 7.692 -1.275 1.00 0.37 H new ATOM 0 HG LEU A 88 -4.641 9.040 1.236 1.00 0.42 H new ATOM 0 HD11 LEU A 88 -4.272 6.744 2.078 1.00 0.56 H new ATOM 0 HD12 LEU A 88 -5.993 7.075 1.765 1.00 0.56 H new ATOM 0 HD13 LEU A 88 -5.051 6.096 0.615 1.00 0.56 H new ATOM 0 HD21 LEU A 88 -2.528 7.873 0.800 1.00 0.48 H new ATOM 0 HD22 LEU A 88 -3.185 7.276 -0.743 1.00 0.48 H new ATOM 0 HD23 LEU A 88 -2.947 9.022 -0.493 1.00 0.48 H new ATOM 926 N ASN A 89 -4.037 10.617 -3.018 1.00 0.32 N ATOM 927 CA ASN A 89 -3.169 10.466 -4.166 1.00 0.34 C ATOM 928 C ASN A 89 -1.981 11.424 -4.047 1.00 0.40 C ATOM 929 O ASN A 89 -2.088 12.616 -4.326 1.00 0.50 O ATOM 930 CB ASN A 89 -3.978 10.655 -5.475 1.00 0.41 C ATOM 931 CG ASN A 89 -4.603 12.033 -5.634 1.00 1.12 C ATOM 932 OD1 ASN A 89 -5.683 12.293 -5.109 1.00 2.01 O ATOM 933 ND2 ASN A 89 -3.959 12.904 -6.397 1.00 1.62 N ATOM 0 H ASN A 89 -4.117 11.570 -2.664 1.00 0.32 H new ATOM 0 HA ASN A 89 -2.760 9.456 -4.198 1.00 0.34 H new ATOM 0 HB2 ASN A 89 -3.321 10.467 -6.324 1.00 0.41 H new ATOM 0 HB3 ASN A 89 -4.768 9.905 -5.511 1.00 0.41 H new ATOM 0 HD21 ASN A 89 -4.358 13.827 -6.566 1.00 1.62 H new ATOM 0 HD22 ASN A 89 -3.064 12.651 -6.816 1.00 1.62 H new ATOM 940 N THR A 90 -0.841 10.903 -3.579 1.00 0.39 N ATOM 941 CA THR A 90 0.340 11.723 -3.356 1.00 0.50 C ATOM 942 C THR A 90 1.599 10.887 -3.576 1.00 0.55 C ATOM 943 O THR A 90 1.544 9.654 -3.564 1.00 0.69 O ATOM 944 CB THR A 90 0.347 12.223 -2.118 1.00 0.68 C ATOM 945 OG1 THR A 90 -0.970 12.676 -1.757 1.00 1.67 O ATOM 946 CG2 THR A 90 1.312 13.389 -1.976 1.00 1.22 C ATOM 0 H THR A 90 -0.718 9.917 -3.349 1.00 0.39 H new ATOM 0 HA THR A 90 0.320 12.551 -4.064 1.00 0.50 H new ATOM 0 HB THR A 90 0.671 11.420 -1.456 1.00 0.68 H new ATOM 0 HG1 THR A 90 -0.953 13.039 -0.847 1.00 1.67 H new ATOM 0 HG21 THR A 90 1.283 13.763 -0.952 1.00 1.22 H new ATOM 0 HG22 THR A 90 2.323 13.056 -2.212 1.00 1.22 H new ATOM 0 HG23 THR A 90 1.023 14.186 -2.661 1.00 1.22 H new ATOM 954 N MET A 91 2.704 11.555 -3.865 1.00 0.72 N ATOM 955 CA MET A 91 4.001 10.901 -3.955 1.00 1.00 C ATOM 956 C MET A 91 4.940 11.462 -2.896 1.00 0.88 C ATOM 957 O MET A 91 4.956 12.670 -2.644 1.00 0.92 O ATOM 958 CB MET A 91 4.604 11.070 -5.352 1.00 1.53 C ATOM 959 CG MET A 91 4.708 12.516 -5.807 1.00 2.33 C ATOM 960 SD MET A 91 5.370 12.673 -7.474 1.00 3.24 S ATOM 961 CE MET A 91 5.275 14.446 -7.699 1.00 3.94 C ATOM 0 H MET A 91 2.729 12.559 -4.043 1.00 0.72 H new ATOM 0 HA MET A 91 3.864 9.834 -3.777 1.00 1.00 H new ATOM 0 HB2 MET A 91 5.598 10.623 -5.364 1.00 1.53 H new ATOM 0 HB3 MET A 91 3.997 10.517 -6.068 1.00 1.53 H new ATOM 0 HG2 MET A 91 3.721 12.977 -5.767 1.00 2.33 H new ATOM 0 HG3 MET A 91 5.345 13.066 -5.114 1.00 2.33 H new ATOM 0 HE1 MET A 91 5.650 14.708 -8.688 1.00 3.94 H new ATOM 0 HE2 MET A 91 4.238 14.769 -7.607 1.00 3.94 H new ATOM 0 HE3 MET A 91 5.879 14.942 -6.939 1.00 3.94 H new ATOM 971 N PHE A 92 5.694 10.579 -2.265 1.00 0.98 N ATOM 972 CA PHE A 92 6.591 10.952 -1.179 1.00 1.01 C ATOM 973 C PHE A 92 7.619 9.847 -0.974 1.00 0.90 C ATOM 974 O PHE A 92 7.334 8.685 -1.241 1.00 0.85 O ATOM 975 CB PHE A 92 5.771 11.178 0.101 1.00 1.24 C ATOM 976 CG PHE A 92 6.583 11.541 1.315 1.00 1.49 C ATOM 977 CD1 PHE A 92 7.268 12.745 1.364 1.00 1.94 C ATOM 978 CD2 PHE A 92 6.663 10.682 2.399 1.00 1.58 C ATOM 979 CE1 PHE A 92 8.019 13.085 2.474 1.00 2.47 C ATOM 980 CE2 PHE A 92 7.413 11.018 3.510 1.00 2.01 C ATOM 981 CZ PHE A 92 8.071 12.204 3.565 1.00 2.46 C ATOM 0 H PHE A 92 5.704 9.584 -2.489 1.00 0.98 H new ATOM 0 HA PHE A 92 7.116 11.875 -1.425 1.00 1.01 H new ATOM 0 HB2 PHE A 92 5.046 11.971 -0.084 1.00 1.24 H new ATOM 0 HB3 PHE A 92 5.205 10.272 0.318 1.00 1.24 H new ATOM 0 HD1 PHE A 92 7.215 13.425 0.526 1.00 1.94 H new ATOM 0 HD2 PHE A 92 6.134 9.741 2.376 1.00 1.58 H new ATOM 0 HE1 PHE A 92 8.560 14.019 2.501 1.00 2.47 H new ATOM 0 HE2 PHE A 92 7.476 10.331 4.341 1.00 2.01 H new ATOM 0 HZ PHE A 92 8.634 12.469 4.448 1.00 2.46 H new ATOM 991 N GLU A 93 8.814 10.205 -0.529 1.00 0.98 N ATOM 992 CA GLU A 93 9.835 9.207 -0.243 1.00 0.97 C ATOM 993 C GLU A 93 9.756 8.801 1.222 1.00 1.21 C ATOM 994 O GLU A 93 9.895 9.644 2.115 1.00 1.50 O ATOM 995 CB GLU A 93 11.247 9.729 -0.541 1.00 1.18 C ATOM 996 CG GLU A 93 11.486 10.148 -1.982 1.00 1.33 C ATOM 997 CD GLU A 93 10.925 11.514 -2.298 1.00 1.57 C ATOM 998 OE1 GLU A 93 11.275 12.480 -1.589 1.00 1.97 O ATOM 999 OE2 GLU A 93 10.159 11.639 -3.275 1.00 1.92 O ATOM 0 H GLU A 93 9.100 11.169 -0.359 1.00 0.98 H new ATOM 0 HA GLU A 93 9.646 8.350 -0.889 1.00 0.97 H new ATOM 0 HB2 GLU A 93 11.447 10.582 0.108 1.00 1.18 H new ATOM 0 HB3 GLU A 93 11.967 8.954 -0.280 1.00 1.18 H new ATOM 0 HG2 GLU A 93 12.557 10.146 -2.183 1.00 1.33 H new ATOM 0 HG3 GLU A 93 11.035 9.413 -2.648 1.00 1.33 H new ATOM 1006 N TYR A 94 9.536 7.515 1.464 1.00 1.23 N ATOM 1007 CA TYR A 94 9.383 7.014 2.818 1.00 1.60 C ATOM 1008 C TYR A 94 10.542 6.095 3.176 1.00 1.67 C ATOM 1009 O TYR A 94 10.985 5.287 2.359 1.00 1.62 O ATOM 1010 CB TYR A 94 8.049 6.273 2.962 1.00 1.88 C ATOM 1011 CG TYR A 94 7.687 5.930 4.390 1.00 2.23 C ATOM 1012 CD1 TYR A 94 8.070 4.720 4.955 1.00 2.63 C ATOM 1013 CD2 TYR A 94 6.967 6.822 5.176 1.00 2.62 C ATOM 1014 CE1 TYR A 94 7.752 4.408 6.262 1.00 3.18 C ATOM 1015 CE2 TYR A 94 6.642 6.516 6.483 1.00 3.33 C ATOM 1016 CZ TYR A 94 7.038 5.309 7.021 1.00 3.51 C ATOM 1017 OH TYR A 94 6.722 5.006 8.328 1.00 4.29 O ATOM 0 H TYR A 94 9.460 6.802 0.738 1.00 1.23 H new ATOM 0 HA TYR A 94 9.387 7.860 3.506 1.00 1.60 H new ATOM 0 HB2 TYR A 94 7.256 6.887 2.534 1.00 1.88 H new ATOM 0 HB3 TYR A 94 8.091 5.354 2.378 1.00 1.88 H new ATOM 0 HD1 TYR A 94 8.627 4.010 4.361 1.00 2.63 H new ATOM 0 HD2 TYR A 94 6.657 7.769 4.758 1.00 2.62 H new ATOM 0 HE1 TYR A 94 8.061 3.464 6.686 1.00 3.18 H new ATOM 0 HE2 TYR A 94 6.080 7.218 7.081 1.00 3.33 H new ATOM 0 HH TYR A 94 6.218 5.748 8.723 1.00 4.29 H new ATOM 1170 N LYS A 104 15.313 4.136 0.823 1.00 1.52 N ATOM 1171 CA LYS A 104 14.362 5.194 0.570 1.00 1.37 C ATOM 1172 C LYS A 104 13.453 4.782 -0.575 1.00 1.18 C ATOM 1173 O LYS A 104 13.911 4.656 -1.718 1.00 1.26 O ATOM 1174 CB LYS A 104 15.101 6.476 0.198 1.00 1.53 C ATOM 1175 CG LYS A 104 14.257 7.734 0.345 1.00 1.64 C ATOM 1176 CD LYS A 104 14.857 8.907 -0.417 1.00 2.24 C ATOM 1177 CE LYS A 104 16.330 9.098 -0.097 1.00 2.60 C ATOM 1178 NZ LYS A 104 16.912 10.230 -0.862 1.00 3.12 N ATOM 0 HA LYS A 104 13.769 5.372 1.467 1.00 1.37 H new ATOM 0 HB2 LYS A 104 15.988 6.569 0.825 1.00 1.53 H new ATOM 0 HB3 LYS A 104 15.447 6.399 -0.833 1.00 1.53 H new ATOM 0 HG2 LYS A 104 13.249 7.540 -0.020 1.00 1.64 H new ATOM 0 HG3 LYS A 104 14.169 7.992 1.400 1.00 1.64 H new ATOM 0 HD2 LYS A 104 14.737 8.744 -1.488 1.00 2.24 H new ATOM 0 HD3 LYS A 104 14.311 9.818 -0.170 1.00 2.24 H new ATOM 0 HE2 LYS A 104 16.451 9.279 0.971 1.00 2.60 H new ATOM 0 HE3 LYS A 104 16.875 8.183 -0.328 1.00 2.60 H new ATOM 0 HZ1 LYS A 104 17.918 10.332 -0.619 1.00 3.12 H new ATOM 0 HZ2 LYS A 104 16.819 10.045 -1.881 1.00 3.12 H new ATOM 0 HZ3 LYS A 104 16.407 11.107 -0.622 1.00 3.12 H new ATOM 1192 N VAL A 105 12.183 4.543 -0.272 1.00 1.04 N ATOM 1193 CA VAL A 105 11.236 4.169 -1.299 1.00 0.90 C ATOM 1194 C VAL A 105 10.329 5.328 -1.657 1.00 0.72 C ATOM 1195 O VAL A 105 10.209 6.299 -0.912 1.00 0.75 O ATOM 1196 CB VAL A 105 10.503 3.115 -0.967 1.00 1.00 C ATOM 1197 CG1 VAL A 105 11.385 1.882 -0.811 1.00 1.23 C ATOM 1198 CG2 VAL A 105 9.687 3.357 0.296 1.00 1.11 C ATOM 0 H VAL A 105 11.794 4.602 0.669 1.00 1.04 H new ATOM 0 HA VAL A 105 11.833 3.894 -2.169 1.00 0.90 H new ATOM 0 HB VAL A 105 9.794 2.943 -1.777 1.00 1.00 H new ATOM 0 HG11 VAL A 105 10.768 1.026 -0.538 1.00 1.23 H new ATOM 0 HG12 VAL A 105 11.894 1.677 -1.753 1.00 1.23 H new ATOM 0 HG13 VAL A 105 12.124 2.060 -0.030 1.00 1.23 H new ATOM 0 HG21 VAL A 105 9.103 2.466 0.528 1.00 1.11 H new ATOM 0 HG22 VAL A 105 10.358 3.578 1.126 1.00 1.11 H new ATOM 0 HG23 VAL A 105 9.015 4.201 0.139 1.00 1.11 H new ATOM 1208 N LYS A 106 9.744 5.235 -2.825 1.00 0.64 N ATOM 1209 CA LYS A 106 8.811 6.228 -3.308 1.00 0.59 C ATOM 1210 C LYS A 106 7.405 5.699 -3.129 1.00 0.53 C ATOM 1211 O LYS A 106 7.076 4.639 -3.661 1.00 0.68 O ATOM 1212 CB LYS A 106 9.053 6.503 -4.797 1.00 0.79 C ATOM 1213 CG LYS A 106 10.370 7.190 -5.116 1.00 1.39 C ATOM 1214 CD LYS A 106 10.235 8.699 -5.041 1.00 1.61 C ATOM 1215 CE LYS A 106 11.496 9.396 -5.519 1.00 2.08 C ATOM 1216 NZ LYS A 106 11.301 10.865 -5.638 1.00 2.36 N ATOM 0 H LYS A 106 9.901 4.464 -3.474 1.00 0.64 H new ATOM 0 HA LYS A 106 8.947 7.153 -2.748 1.00 0.59 H new ATOM 0 HB2 LYS A 106 9.014 5.557 -5.337 1.00 0.79 H new ATOM 0 HB3 LYS A 106 8.238 7.120 -5.175 1.00 0.79 H new ATOM 0 HG2 LYS A 106 11.136 6.856 -4.416 1.00 1.39 H new ATOM 0 HG3 LYS A 106 10.701 6.901 -6.113 1.00 1.39 H new ATOM 0 HD2 LYS A 106 9.388 9.020 -5.648 1.00 1.61 H new ATOM 0 HD3 LYS A 106 10.021 8.995 -4.014 1.00 1.61 H new ATOM 0 HE2 LYS A 106 12.310 9.192 -4.824 1.00 2.08 H new ATOM 0 HE3 LYS A 106 11.793 8.989 -6.486 1.00 2.08 H new ATOM 0 HZ1 LYS A 106 12.223 11.328 -5.767 1.00 2.36 H new ATOM 0 HZ2 LYS A 106 10.693 11.069 -6.457 1.00 2.36 H new ATOM 0 HZ3 LYS A 106 10.850 11.226 -4.773 1.00 2.36 H new ATOM 1230 N VAL A 107 6.593 6.405 -2.373 1.00 0.47 N ATOM 1231 CA VAL A 107 5.216 6.002 -2.188 1.00 0.49 C ATOM 1232 C VAL A 107 4.344 6.773 -3.139 1.00 0.45 C ATOM 1233 O VAL A 107 4.034 7.940 -2.900 1.00 0.74 O ATOM 1234 CB VAL A 107 4.757 6.237 -0.970 1.00 0.60 C ATOM 1235 CG1 VAL A 107 3.592 5.302 -0.669 1.00 0.99 C ATOM 1236 CG2 VAL A 107 5.836 6.115 0.094 1.00 1.11 C ATOM 0 H VAL A 107 6.860 7.256 -1.879 1.00 0.47 H new ATOM 0 HA VAL A 107 5.189 4.927 -2.366 1.00 0.49 H new ATOM 0 HB VAL A 107 4.411 7.270 -0.942 1.00 0.60 H new ATOM 0 HG11 VAL A 107 3.217 5.499 0.335 1.00 0.99 H new ATOM 0 HG12 VAL A 107 2.795 5.469 -1.393 1.00 0.99 H new ATOM 0 HG13 VAL A 107 3.930 4.268 -0.734 1.00 0.99 H new ATOM 0 HG21 VAL A 107 5.405 6.318 1.074 1.00 1.11 H new ATOM 0 HG22 VAL A 107 6.248 5.106 0.080 1.00 1.11 H new ATOM 0 HG23 VAL A 107 6.630 6.834 -0.109 1.00 1.11 H new ATOM 1246 N HIS A 108 3.939 6.140 -4.214 1.00 0.30 N ATOM 1247 CA HIS A 108 2.942 6.740 -5.053 1.00 0.31 C ATOM 1248 C HIS A 108 1.619 6.079 -4.742 1.00 0.28 C ATOM 1249 O HIS A 108 1.367 4.944 -5.132 1.00 0.31 O ATOM 1250 CB HIS A 108 3.285 6.602 -6.539 1.00 0.43 C ATOM 1251 CG HIS A 108 2.527 7.564 -7.406 1.00 0.56 C ATOM 1252 ND1 HIS A 108 1.937 7.211 -8.599 1.00 0.94 N ATOM 1253 CD2 HIS A 108 2.266 8.883 -7.239 1.00 0.71 C ATOM 1254 CE1 HIS A 108 1.359 8.270 -9.133 1.00 1.01 C ATOM 1255 NE2 HIS A 108 1.542 9.298 -8.327 1.00 0.80 N ATOM 0 H HIS A 108 4.279 5.228 -4.520 1.00 0.30 H new ATOM 0 HA HIS A 108 2.893 7.810 -4.850 1.00 0.31 H new ATOM 0 HB2 HIS A 108 4.354 6.762 -6.676 1.00 0.43 H new ATOM 0 HB3 HIS A 108 3.071 5.583 -6.863 1.00 0.43 H new ATOM 0 HD2 HIS A 108 2.572 9.495 -6.403 1.00 0.71 H new ATOM 0 HE1 HIS A 108 0.826 8.292 -10.072 1.00 1.01 H new ATOM 0 HE2 HIS A 108 1.201 10.246 -8.487 1.00 0.80 H new ATOM 1264 N MET A 109 0.795 6.784 -4.005 1.00 0.31 N ATOM 1265 CA MET A 109 -0.528 6.305 -3.680 1.00 0.33 C ATOM 1266 C MET A 109 -1.519 7.092 -4.487 1.00 0.37 C ATOM 1267 O MET A 109 -1.298 8.274 -4.751 1.00 0.55 O ATOM 1268 CB MET A 109 -0.815 6.448 -2.180 1.00 0.43 C ATOM 1269 CG MET A 109 -0.039 5.467 -1.312 1.00 0.77 C ATOM 1270 SD MET A 109 -0.372 5.662 0.451 1.00 1.28 S ATOM 1271 CE MET A 109 0.573 4.290 1.111 1.00 2.22 C ATOM 0 H MET A 109 1.020 7.700 -3.616 1.00 0.31 H new ATOM 0 HA MET A 109 -0.605 5.245 -3.920 1.00 0.33 H new ATOM 0 HB2 MET A 109 -0.574 7.464 -1.868 1.00 0.43 H new ATOM 0 HB3 MET A 109 -1.882 6.306 -2.008 1.00 0.43 H new ATOM 0 HG2 MET A 109 -0.289 4.449 -1.612 1.00 0.77 H new ATOM 0 HG3 MET A 109 1.028 5.599 -1.491 1.00 0.77 H new ATOM 0 HE1 MET A 109 -0.104 3.568 1.567 1.00 2.22 H new ATOM 0 HE2 MET A 109 1.127 3.809 0.305 1.00 2.22 H new ATOM 0 HE3 MET A 109 1.271 4.658 1.863 1.00 2.22 H new ATOM 1281 N LYS A 110 -2.580 6.450 -4.921 1.00 0.27 N ATOM 1282 CA LYS A 110 -3.572 7.139 -5.701 1.00 0.30 C ATOM 1283 C LYS A 110 -4.928 6.554 -5.429 1.00 0.24 C ATOM 1284 O LYS A 110 -5.100 5.340 -5.445 1.00 0.24 O ATOM 1285 CB LYS A 110 -3.269 7.066 -7.205 1.00 0.43 C ATOM 1286 CG LYS A 110 -3.266 5.654 -7.769 1.00 0.64 C ATOM 1287 CD LYS A 110 -3.510 5.647 -9.271 1.00 0.78 C ATOM 1288 CE LYS A 110 -2.349 6.246 -10.046 1.00 1.38 C ATOM 1289 NZ LYS A 110 -2.686 6.432 -11.483 1.00 1.73 N ATOM 0 H LYS A 110 -2.774 5.464 -4.748 1.00 0.27 H new ATOM 0 HA LYS A 110 -3.554 8.189 -5.408 1.00 0.30 H new ATOM 0 HB2 LYS A 110 -4.008 7.659 -7.743 1.00 0.43 H new ATOM 0 HB3 LYS A 110 -2.297 7.523 -7.392 1.00 0.43 H new ATOM 0 HG2 LYS A 110 -2.309 5.178 -7.554 1.00 0.64 H new ATOM 0 HG3 LYS A 110 -4.035 5.062 -7.273 1.00 0.64 H new ATOM 0 HD2 LYS A 110 -3.677 4.623 -9.605 1.00 0.78 H new ATOM 0 HD3 LYS A 110 -4.419 6.207 -9.492 1.00 0.78 H new ATOM 0 HE2 LYS A 110 -2.076 7.206 -9.609 1.00 1.38 H new ATOM 0 HE3 LYS A 110 -1.478 5.596 -9.957 1.00 1.38 H new ATOM 0 HZ1 LYS A 110 -1.870 6.843 -11.981 1.00 1.73 H new ATOM 0 HZ2 LYS A 110 -2.922 5.512 -11.906 1.00 1.73 H new ATOM 0 HZ3 LYS A 110 -3.501 7.072 -11.568 1.00 1.73 H new ATOM 1303 N LYS A 111 -5.877 7.413 -5.154 1.00 0.23 N ATOM 1304 CA LYS A 111 -7.239 7.013 -5.116 1.00 0.22 C ATOM 1305 C LYS A 111 -7.616 6.417 -6.455 1.00 0.22 C ATOM 1306 O LYS A 111 -7.635 7.114 -7.473 1.00 0.29 O ATOM 1307 CB LYS A 111 -8.062 8.236 -4.809 1.00 0.28 C ATOM 1308 CG LYS A 111 -9.558 8.005 -4.844 1.00 0.35 C ATOM 1309 CD LYS A 111 -10.293 9.273 -4.476 1.00 0.53 C ATOM 1310 CE LYS A 111 -11.804 9.088 -4.517 1.00 0.91 C ATOM 1311 NZ LYS A 111 -12.275 8.077 -3.528 1.00 1.78 N ATOM 0 H LYS A 111 -5.717 8.400 -4.953 1.00 0.23 H new ATOM 0 HA LYS A 111 -7.416 6.257 -4.351 1.00 0.22 H new ATOM 0 HB2 LYS A 111 -7.786 8.607 -3.822 1.00 0.28 H new ATOM 0 HB3 LYS A 111 -7.810 9.018 -5.525 1.00 0.28 H new ATOM 0 HG2 LYS A 111 -9.859 7.678 -5.839 1.00 0.35 H new ATOM 0 HG3 LYS A 111 -9.826 7.207 -4.151 1.00 0.35 H new ATOM 0 HD2 LYS A 111 -9.993 9.589 -3.477 1.00 0.53 H new ATOM 0 HD3 LYS A 111 -10.006 10.070 -5.162 1.00 0.53 H new ATOM 0 HE2 LYS A 111 -12.291 10.043 -4.318 1.00 0.91 H new ATOM 0 HE3 LYS A 111 -12.104 8.781 -5.519 1.00 0.91 H new ATOM 0 HZ1 LYS A 111 -13.237 8.318 -3.216 1.00 1.78 H new ATOM 0 HZ2 LYS A 111 -12.280 7.135 -3.970 1.00 1.78 H new ATOM 0 HZ3 LYS A 111 -11.637 8.071 -2.707 1.00 1.78 H new ATOM 1325 N ALA A 112 -7.857 5.113 -6.435 1.00 0.22 N ATOM 1326 CA ALA A 112 -8.138 4.359 -7.637 1.00 0.26 C ATOM 1327 C ALA A 112 -9.266 5.015 -8.412 1.00 0.38 C ATOM 1328 O ALA A 112 -10.200 5.553 -7.811 1.00 0.45 O ATOM 1329 CB ALA A 112 -8.518 2.931 -7.283 1.00 0.33 C ATOM 0 H ALA A 112 -7.862 4.553 -5.582 1.00 0.22 H new ATOM 0 HA ALA A 112 -7.242 4.344 -8.257 1.00 0.26 H new ATOM 0 HB1 ALA A 112 -8.727 2.373 -8.196 1.00 0.33 H new ATOM 0 HB2 ALA A 112 -7.694 2.457 -6.749 1.00 0.33 H new ATOM 0 HB3 ALA A 112 -9.405 2.937 -6.650 1.00 0.33 H new ATOM 1335 N LEU A 113 -9.194 4.962 -9.731 1.00 0.47 N ATOM 1336 CA LEU A 113 -10.230 5.554 -10.567 1.00 0.64 C ATOM 1337 C LEU A 113 -11.559 4.847 -10.333 1.00 0.76 C ATOM 1338 O LEU A 113 -12.625 5.373 -10.662 1.00 0.96 O ATOM 1339 CB LEU A 113 -9.846 5.482 -12.050 1.00 0.76 C ATOM 1340 CG LEU A 113 -8.856 6.550 -12.543 1.00 1.55 C ATOM 1341 CD1 LEU A 113 -7.508 6.430 -11.850 1.00 2.27 C ATOM 1342 CD2 LEU A 113 -8.682 6.453 -14.049 1.00 2.39 C ATOM 0 H LEU A 113 -8.434 4.518 -10.246 1.00 0.47 H new ATOM 0 HA LEU A 113 -10.332 6.604 -10.293 1.00 0.64 H new ATOM 0 HB2 LEU A 113 -9.417 4.499 -12.246 1.00 0.76 H new ATOM 0 HB3 LEU A 113 -10.756 5.557 -12.645 1.00 0.76 H new ATOM 0 HG LEU A 113 -9.272 7.526 -12.293 1.00 1.55 H new ATOM 0 HD11 LEU A 113 -6.836 7.202 -12.225 1.00 2.27 H new ATOM 0 HD12 LEU A 113 -7.639 6.554 -10.775 1.00 2.27 H new ATOM 0 HD13 LEU A 113 -7.081 5.448 -12.052 1.00 2.27 H new ATOM 0 HD21 LEU A 113 -7.978 7.215 -14.384 1.00 2.39 H new ATOM 0 HD22 LEU A 113 -8.298 5.466 -14.308 1.00 2.39 H new ATOM 0 HD23 LEU A 113 -9.644 6.608 -14.537 1.00 2.39 H new ATOM 1354 N SER A 114 -11.478 3.656 -9.755 1.00 0.73 N ATOM 1355 CA SER A 114 -12.649 2.902 -9.352 1.00 0.92 C ATOM 1356 C SER A 114 -13.428 3.663 -8.276 1.00 0.93 C ATOM 1357 O SER A 114 -14.658 3.698 -8.293 1.00 1.27 O ATOM 1358 CB SER A 114 -12.213 1.536 -8.825 1.00 1.04 C ATOM 1359 OG SER A 114 -11.280 0.930 -9.708 1.00 1.66 O ATOM 0 H SER A 114 -10.595 3.188 -9.554 1.00 0.73 H new ATOM 0 HA SER A 114 -13.303 2.764 -10.213 1.00 0.92 H new ATOM 0 HB2 SER A 114 -11.766 1.648 -7.837 1.00 1.04 H new ATOM 0 HB3 SER A 114 -13.084 0.891 -8.710 1.00 1.04 H new ATOM 0 HG SER A 114 -11.012 0.057 -9.352 1.00 1.66 H new ATOM 1365 N GLY A 115 -12.702 4.277 -7.346 1.00 0.71 N ATOM 1366 CA GLY A 115 -13.339 5.075 -6.316 1.00 0.79 C ATOM 1367 C GLY A 115 -13.127 4.533 -4.913 1.00 0.78 C ATOM 1368 O GLY A 115 -12.518 5.198 -4.069 1.00 1.52 O ATOM 0 H GLY A 115 -11.684 4.236 -7.288 1.00 0.71 H new ATOM 0 HA2 GLY A 115 -12.953 6.093 -6.366 1.00 0.79 H new ATOM 0 HA3 GLY A 115 -14.409 5.129 -6.519 1.00 0.79 H new ATOM 1372 N ASP A 116 -13.614 3.319 -4.672 1.00 0.72 N ATOM 1373 CA ASP A 116 -13.619 2.718 -3.334 1.00 0.85 C ATOM 1374 C ASP A 116 -12.325 1.976 -3.032 1.00 0.80 C ATOM 1375 O ASP A 116 -12.323 0.920 -2.399 1.00 1.40 O ATOM 1376 CB ASP A 116 -14.813 1.764 -3.197 1.00 1.25 C ATOM 1377 CG ASP A 116 -14.860 0.712 -4.295 1.00 2.10 C ATOM 1378 OD1 ASP A 116 -14.411 -0.427 -4.067 1.00 2.63 O ATOM 1379 OD2 ASP A 116 -15.359 1.021 -5.401 1.00 2.79 O ATOM 0 H ASP A 116 -14.016 2.722 -5.395 1.00 0.72 H new ATOM 0 HA ASP A 116 -13.707 3.529 -2.610 1.00 0.85 H new ATOM 0 HB2 ASP A 116 -14.766 1.268 -2.228 1.00 1.25 H new ATOM 0 HB3 ASP A 116 -15.737 2.342 -3.215 1.00 1.25 H new ATOM 1384 N SER A 117 -11.222 2.570 -3.425 1.00 0.42 N ATOM 1385 CA SER A 117 -9.923 1.944 -3.276 1.00 0.29 C ATOM 1386 C SER A 117 -8.805 2.955 -3.506 1.00 0.22 C ATOM 1387 O SER A 117 -9.018 4.007 -4.113 1.00 0.25 O ATOM 1388 CB SER A 117 -9.805 0.775 -4.247 1.00 0.34 C ATOM 1389 OG SER A 117 -10.385 1.085 -5.507 1.00 0.44 O ATOM 0 H SER A 117 -11.196 3.495 -3.855 1.00 0.42 H new ATOM 0 HA SER A 117 -9.825 1.569 -2.257 1.00 0.29 H new ATOM 0 HB2 SER A 117 -8.755 0.517 -4.382 1.00 0.34 H new ATOM 0 HB3 SER A 117 -10.296 -0.101 -3.825 1.00 0.34 H new ATOM 0 HG SER A 117 -10.292 0.316 -6.108 1.00 0.44 H new ATOM 1395 N TYR A 118 -7.626 2.637 -2.996 1.00 0.19 N ATOM 1396 CA TYR A 118 -6.451 3.491 -3.139 1.00 0.19 C ATOM 1397 C TYR A 118 -5.222 2.629 -3.424 1.00 0.20 C ATOM 1398 O TYR A 118 -5.032 1.587 -2.800 1.00 0.25 O ATOM 1399 CB TYR A 118 -6.232 4.326 -1.867 1.00 0.22 C ATOM 1400 CG TYR A 118 -7.424 5.148 -1.462 1.00 0.23 C ATOM 1401 CD1 TYR A 118 -8.330 4.674 -0.538 1.00 0.30 C ATOM 1402 CD2 TYR A 118 -7.631 6.403 -1.998 1.00 0.25 C ATOM 1403 CE1 TYR A 118 -9.416 5.430 -0.147 1.00 0.35 C ATOM 1404 CE2 TYR A 118 -8.716 7.170 -1.620 1.00 0.30 C ATOM 1405 CZ TYR A 118 -9.641 6.652 -0.739 1.00 0.34 C ATOM 1406 OH TYR A 118 -10.680 7.440 -0.290 1.00 0.42 O ATOM 0 H TYR A 118 -7.453 1.780 -2.471 1.00 0.19 H new ATOM 0 HA TYR A 118 -6.611 4.175 -3.973 1.00 0.19 H new ATOM 0 HB2 TYR A 118 -5.969 3.658 -1.047 1.00 0.22 H new ATOM 0 HB3 TYR A 118 -5.382 4.990 -2.023 1.00 0.22 H new ATOM 0 HD1 TYR A 118 -8.187 3.692 -0.112 1.00 0.30 H new ATOM 0 HD2 TYR A 118 -6.933 6.792 -2.725 1.00 0.25 H new ATOM 0 HE1 TYR A 118 -10.085 5.065 0.618 1.00 0.35 H new ATOM 0 HE2 TYR A 118 -8.839 8.169 -2.012 1.00 0.30 H new ATOM 0 HH TYR A 118 -10.707 8.271 -0.808 1.00 0.42 H new ATOM 1416 N TRP A 119 -4.401 3.045 -4.379 1.00 0.20 N ATOM 1417 CA TRP A 119 -3.243 2.272 -4.768 1.00 0.22 C ATOM 1418 C TRP A 119 -2.031 2.604 -3.928 1.00 0.25 C ATOM 1419 O TRP A 119 -1.968 3.647 -3.280 1.00 0.27 O ATOM 1420 CB TRP A 119 -2.886 2.544 -6.215 1.00 0.25 C ATOM 1421 CG TRP A 119 -3.839 1.972 -7.200 1.00 0.26 C ATOM 1422 CD1 TRP A 119 -5.117 2.367 -7.442 1.00 0.27 C ATOM 1423 CD2 TRP A 119 -3.566 0.904 -8.092 1.00 0.30 C ATOM 1424 NE1 TRP A 119 -5.666 1.578 -8.431 1.00 0.32 N ATOM 1425 CE2 TRP A 119 -4.725 0.674 -8.844 1.00 0.33 C ATOM 1426 CE3 TRP A 119 -2.443 0.111 -8.318 1.00 0.34 C ATOM 1427 CZ2 TRP A 119 -4.792 -0.326 -9.810 1.00 0.40 C ATOM 1428 CZ3 TRP A 119 -2.503 -0.867 -9.271 1.00 0.40 C ATOM 1429 CH2 TRP A 119 -3.672 -1.086 -10.012 1.00 0.42 C ATOM 0 H TRP A 119 -4.521 3.916 -4.896 1.00 0.20 H new ATOM 0 HA TRP A 119 -3.508 1.225 -4.622 1.00 0.22 H new ATOM 0 HB2 TRP A 119 -2.830 3.622 -6.366 1.00 0.25 H new ATOM 0 HB3 TRP A 119 -1.892 2.142 -6.413 1.00 0.25 H new ATOM 0 HD1 TRP A 119 -5.625 3.175 -6.937 1.00 0.27 H new ATOM 0 HE1 TRP A 119 -6.616 1.655 -8.794 1.00 0.32 H new ATOM 0 HE3 TRP A 119 -1.539 0.267 -7.749 1.00 0.34 H new ATOM 0 HZ2 TRP A 119 -5.694 -0.496 -10.379 1.00 0.40 H new ATOM 0 HZ3 TRP A 119 -1.634 -1.482 -9.456 1.00 0.40 H new ATOM 0 HH2 TRP A 119 -3.689 -1.869 -10.756 1.00 0.42 H new ATOM 1440 N VAL A 120 -1.065 1.705 -3.994 1.00 0.28 N ATOM 1441 CA VAL A 120 0.228 1.861 -3.352 1.00 0.32 C ATOM 1442 C VAL A 120 1.317 1.386 -4.314 1.00 0.34 C ATOM 1443 O VAL A 120 1.388 0.201 -4.632 1.00 0.43 O ATOM 1444 CB VAL A 120 0.308 1.148 -2.230 1.00 0.38 C ATOM 1445 CG1 VAL A 120 1.685 1.290 -1.589 1.00 0.56 C ATOM 1446 CG2 VAL A 120 -0.773 1.530 -1.232 1.00 0.62 C ATOM 0 H VAL A 120 -1.160 0.828 -4.506 1.00 0.28 H new ATOM 0 HA VAL A 120 0.358 2.913 -3.099 1.00 0.32 H new ATOM 0 HB VAL A 120 0.152 0.106 -2.508 1.00 0.38 H new ATOM 0 HG11 VAL A 120 1.723 0.698 -0.675 1.00 0.56 H new ATOM 0 HG12 VAL A 120 2.448 0.936 -2.283 1.00 0.56 H new ATOM 0 HG13 VAL A 120 1.869 2.338 -1.351 1.00 0.56 H new ATOM 0 HG21 VAL A 120 -0.669 0.923 -0.333 1.00 0.62 H new ATOM 0 HG22 VAL A 120 -0.672 2.584 -0.972 1.00 0.62 H new ATOM 0 HG23 VAL A 120 -1.754 1.357 -1.674 1.00 0.62 H new ATOM 1456 N PHE A 121 2.124 2.311 -4.815 1.00 0.34 N ATOM 1457 CA PHE A 121 3.271 1.957 -5.643 1.00 0.42 C ATOM 1458 C PHE A 121 4.557 2.276 -4.894 1.00 0.40 C ATOM 1459 O PHE A 121 4.874 3.447 -4.681 1.00 0.49 O ATOM 1460 CB PHE A 121 3.277 2.743 -6.953 1.00 0.61 C ATOM 1461 CG PHE A 121 2.059 2.564 -7.819 1.00 0.49 C ATOM 1462 CD1 PHE A 121 0.954 3.387 -7.668 1.00 0.52 C ATOM 1463 CD2 PHE A 121 2.028 1.587 -8.800 1.00 0.98 C ATOM 1464 CE1 PHE A 121 -0.156 3.238 -8.476 1.00 0.96 C ATOM 1465 CE2 PHE A 121 0.920 1.431 -9.610 1.00 1.49 C ATOM 1466 CZ PHE A 121 -0.173 2.258 -9.449 1.00 1.45 C ATOM 0 H PHE A 121 2.006 3.313 -4.663 1.00 0.34 H new ATOM 0 HA PHE A 121 3.202 0.892 -5.866 1.00 0.42 H new ATOM 0 HB2 PHE A 121 3.384 3.803 -6.721 1.00 0.61 H new ATOM 0 HB3 PHE A 121 4.156 2.452 -7.528 1.00 0.61 H new ATOM 0 HD1 PHE A 121 0.961 4.155 -6.909 1.00 0.52 H new ATOM 0 HD2 PHE A 121 2.881 0.939 -8.933 1.00 0.98 H new ATOM 0 HE1 PHE A 121 -1.010 3.887 -8.347 1.00 0.96 H new ATOM 0 HE2 PHE A 121 0.909 0.662 -10.369 1.00 1.49 H new ATOM 0 HZ PHE A 121 -1.040 2.139 -10.082 1.00 1.45 H new ATOM 1476 N VAL A 122 5.279 1.250 -4.479 1.00 0.49 N ATOM 1477 CA VAL A 122 6.542 1.436 -3.777 1.00 0.61 C ATOM 1478 C VAL A 122 7.723 1.068 -4.678 1.00 0.73 C ATOM 1479 O VAL A 122 7.769 -0.031 -5.234 1.00 0.95 O ATOM 1480 CB VAL A 122 6.588 0.708 -2.667 1.00 0.77 C ATOM 1481 CG1 VAL A 122 7.900 0.921 -1.918 1.00 1.61 C ATOM 1482 CG2 VAL A 122 5.406 1.015 -1.759 1.00 1.52 C ATOM 0 H VAL A 122 5.013 0.275 -4.616 1.00 0.49 H new ATOM 0 HA VAL A 122 6.612 2.490 -3.507 1.00 0.61 H new ATOM 0 HB VAL A 122 6.531 -0.339 -2.964 1.00 0.77 H new ATOM 0 HG11 VAL A 122 7.906 0.311 -1.014 1.00 1.61 H new ATOM 0 HG12 VAL A 122 8.735 0.632 -2.557 1.00 1.61 H new ATOM 0 HG13 VAL A 122 7.998 1.972 -1.647 1.00 1.61 H new ATOM 0 HG21 VAL A 122 5.471 0.404 -0.859 1.00 1.52 H new ATOM 0 HG22 VAL A 122 5.423 2.070 -1.484 1.00 1.52 H new ATOM 0 HG23 VAL A 122 4.477 0.791 -2.283 1.00 1.52 H new ATOM 1492 N LYS A 123 8.659 2.005 -4.842 1.00 0.76 N ATOM 1493 CA LYS A 123 9.866 1.780 -5.630 1.00 0.97 C ATOM 1494 C LYS A 123 11.022 2.521 -4.984 1.00 1.04 C ATOM 1495 O LYS A 123 10.855 3.653 -4.554 1.00 1.02 O ATOM 1496 CB LYS A 123 9.693 2.263 -7.076 1.00 1.11 C ATOM 1497 CG LYS A 123 8.681 1.474 -7.889 1.00 1.66 C ATOM 1498 CD LYS A 123 8.696 1.899 -9.350 1.00 2.03 C ATOM 1499 CE LYS A 123 7.657 1.144 -10.164 1.00 2.74 C ATOM 1500 NZ LYS A 123 7.677 1.537 -11.598 1.00 3.45 N ATOM 0 H LYS A 123 8.599 2.937 -4.433 1.00 0.76 H new ATOM 0 HA LYS A 123 10.066 0.709 -5.656 1.00 0.97 H new ATOM 0 HB2 LYS A 123 9.391 3.310 -7.062 1.00 1.11 H new ATOM 0 HB3 LYS A 123 10.659 2.217 -7.579 1.00 1.11 H new ATOM 0 HG2 LYS A 123 8.902 0.409 -7.815 1.00 1.66 H new ATOM 0 HG3 LYS A 123 7.684 1.622 -7.475 1.00 1.66 H new ATOM 0 HD2 LYS A 123 8.506 2.970 -9.420 1.00 2.03 H new ATOM 0 HD3 LYS A 123 9.686 1.723 -9.770 1.00 2.03 H new ATOM 0 HE2 LYS A 123 7.839 0.073 -10.080 1.00 2.74 H new ATOM 0 HE3 LYS A 123 6.666 1.332 -9.751 1.00 2.74 H new ATOM 0 HZ1 LYS A 123 6.953 0.998 -12.116 1.00 3.45 H new ATOM 0 HZ2 LYS A 123 7.478 2.554 -11.682 1.00 3.45 H new ATOM 0 HZ3 LYS A 123 8.614 1.334 -12.001 1.00 3.45 H new