USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=13 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 85 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 87 ASN : amide:sc= -0.39 K(o=-0.39,f=0.26) USER MOD Set 2.1: A 32 GLN : amide:sc= -1.86! K(o=-0.91!,f=-1.9) USER MOD Set 2.2: A 41 GLN : amide:sc= 0.947 K(o=-0.91,f=-1.9) USER MOD Single : A 38 ASN : amide:sc= 0.663 K(o=0.66,f=-0.0058) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.728 K(o=-0.73,f=-4.7!) USER MOD Single : A 78 LYS NZ :NH3+ 178:sc= 1.26 (180deg=1.2) USER MOD Single : A 80 LYS NZ :NH3+ 167:sc= -0.0252 (180deg=-0.22) USER MOD Single : A 89 ASN : amide:sc= -0.0119 K(o=-0.012,f=-0.78) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.542 USER MOD Single : A 91 MET CE :methyl -155:sc= -0.132 (180deg=-0.785) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -152:sc= 1.21 (180deg=1.01) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.0831 X(o=-0.083,f=0) USER MOD Single : A 109 MET CE :methyl -168:sc= -2.79! (180deg=-3.04!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 158:sc= 1.29 (180deg=0.788) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot -130:sc= -1.17 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 29 7.169 -1.562 -6.916 1.00 1.43 N ATOM 51 CA GLY A 29 5.965 -2.222 -6.469 1.00 0.99 C ATOM 52 C GLY A 29 4.722 -1.591 -7.036 1.00 0.78 C ATOM 53 O GLY A 29 4.652 -0.370 -7.166 1.00 1.00 O ATOM 0 HA2 GLY A 29 6.001 -3.272 -6.758 1.00 0.99 H new ATOM 0 HA3 GLY A 29 5.920 -2.193 -5.380 1.00 0.99 H new ATOM 57 N ALA A 30 3.748 -2.411 -7.391 1.00 0.70 N ATOM 58 CA ALA A 30 2.462 -1.902 -7.824 1.00 0.54 C ATOM 59 C ALA A 30 1.340 -2.795 -7.314 1.00 0.49 C ATOM 60 O ALA A 30 1.106 -3.875 -7.843 1.00 0.60 O ATOM 61 CB ALA A 30 2.410 -1.812 -9.342 1.00 0.68 C ATOM 0 H ALA A 30 3.824 -3.428 -7.387 1.00 0.70 H new ATOM 0 HA ALA A 30 2.330 -0.902 -7.410 1.00 0.54 H new ATOM 0 HB1 ALA A 30 1.438 -1.428 -9.651 1.00 0.68 H new ATOM 0 HB2 ALA A 30 3.193 -1.141 -9.694 1.00 0.68 H new ATOM 0 HB3 ALA A 30 2.562 -2.803 -9.771 1.00 0.68 H new ATOM 67 N ILE A 31 0.668 -2.357 -6.268 1.00 0.40 N ATOM 68 CA ILE A 31 -0.452 -3.096 -5.713 1.00 0.39 C ATOM 69 C ILE A 31 -1.562 -2.134 -5.336 1.00 0.35 C ATOM 70 O ILE A 31 -1.292 -1.019 -4.914 1.00 0.36 O ATOM 71 CB ILE A 31 -0.064 -3.870 -4.690 1.00 0.46 C ATOM 72 CG1 ILE A 31 -1.211 -4.564 -3.953 1.00 0.48 C ATOM 73 CG2 ILE A 31 0.834 -3.109 -3.716 1.00 0.52 C ATOM 74 CD1 ILE A 31 -1.814 -3.790 -2.787 1.00 0.90 C ATOM 0 H ILE A 31 0.879 -1.486 -5.781 1.00 0.40 H new ATOM 0 HA ILE A 31 -0.847 -3.775 -6.469 1.00 0.39 H new ATOM 0 HB ILE A 31 0.517 -4.670 -5.148 1.00 0.46 H new ATOM 0 HG12 ILE A 31 -2.003 -4.778 -4.671 1.00 0.48 H new ATOM 0 HG13 ILE A 31 -0.851 -5.523 -3.581 1.00 0.48 H new ATOM 0 HG21 ILE A 31 1.128 -3.770 -2.900 1.00 0.52 H new ATOM 0 HG22 ILE A 31 1.724 -2.760 -4.239 1.00 0.52 H new ATOM 0 HG23 ILE A 31 0.291 -2.254 -3.313 1.00 0.52 H new ATOM 0 HD11 ILE A 31 -2.617 -4.375 -2.339 1.00 0.90 H new ATOM 0 HD12 ILE A 31 -1.044 -3.599 -2.040 1.00 0.90 H new ATOM 0 HD13 ILE A 31 -2.213 -2.842 -3.147 1.00 0.90 H new ATOM 86 N GLN A 32 -2.800 -2.515 -5.586 1.00 0.38 N ATOM 87 CA GLN A 32 -3.910 -1.647 -5.232 1.00 0.40 C ATOM 88 C GLN A 32 -4.758 -2.265 -4.143 1.00 0.37 C ATOM 89 O GLN A 32 -4.989 -3.480 -4.114 1.00 0.44 O ATOM 90 CB GLN A 32 -4.793 -1.294 -6.429 1.00 0.50 C ATOM 91 CG GLN A 32 -5.785 -2.364 -6.844 1.00 0.55 C ATOM 92 CD GLN A 32 -7.018 -1.774 -7.501 1.00 1.11 C ATOM 93 OE1 GLN A 32 -7.093 -1.670 -8.722 1.00 2.22 O ATOM 94 NE2 GLN A 32 -7.979 -1.352 -6.694 1.00 0.93 N ATOM 0 H GLN A 32 -3.061 -3.399 -6.023 1.00 0.38 H new ATOM 0 HA GLN A 32 -3.463 -0.722 -4.866 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -5.344 -0.383 -6.196 1.00 0.50 H new ATOM 0 HB3 GLN A 32 -4.150 -1.069 -7.280 1.00 0.50 H new ATOM 0 HG2 GLN A 32 -5.303 -3.057 -7.534 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -6.082 -2.941 -5.969 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -7.879 -1.456 -5.684 1.00 0.93 H new ATOM 0 HE22 GLN A 32 -8.819 -0.923 -7.082 1.00 0.93 H new ATOM 103 N LEU A 33 -5.222 -1.420 -3.252 1.00 0.34 N ATOM 104 CA LEU A 33 -6.074 -1.855 -2.167 1.00 0.36 C ATOM 105 C LEU A 33 -7.267 -0.937 -2.044 1.00 0.35 C ATOM 106 O LEU A 33 -7.284 0.143 -2.615 1.00 0.43 O ATOM 107 CB LEU A 33 -5.271 -1.927 -0.863 1.00 0.45 C ATOM 108 CG LEU A 33 -4.506 -0.654 -0.452 1.00 0.46 C ATOM 109 CD1 LEU A 33 -5.433 0.387 0.161 1.00 0.72 C ATOM 110 CD2 LEU A 33 -3.384 -1.002 0.515 1.00 0.71 C ATOM 0 H LEU A 33 -5.022 -0.420 -3.257 1.00 0.34 H new ATOM 0 HA LEU A 33 -6.449 -2.856 -2.378 1.00 0.36 H new ATOM 0 HB2 LEU A 33 -5.955 -2.189 -0.056 1.00 0.45 H new ATOM 0 HB3 LEU A 33 -4.553 -2.743 -0.950 1.00 0.45 H new ATOM 0 HG LEU A 33 -4.076 -0.220 -1.354 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -4.856 1.270 0.438 1.00 0.72 H new ATOM 0 HD12 LEU A 33 -6.197 0.666 -0.564 1.00 0.72 H new ATOM 0 HD13 LEU A 33 -5.910 -0.028 1.049 1.00 0.72 H new ATOM 0 HD21 LEU A 33 -2.852 -0.093 0.797 1.00 0.71 H new ATOM 0 HD22 LEU A 33 -3.804 -1.468 1.406 1.00 0.71 H new ATOM 0 HD23 LEU A 33 -2.692 -1.694 0.035 1.00 0.71 H new ATOM 122 N ASP A 34 -8.276 -1.383 -1.336 1.00 0.35 N ATOM 123 CA ASP A 34 -9.448 -0.552 -1.105 1.00 0.45 C ATOM 124 C ASP A 34 -9.275 0.268 0.162 1.00 0.53 C ATOM 125 O ASP A 34 -8.559 -0.126 1.082 1.00 0.58 O ATOM 126 CB ASP A 34 -10.739 -1.380 -1.049 1.00 0.55 C ATOM 127 CG ASP A 34 -10.709 -2.497 -0.029 1.00 0.65 C ATOM 128 OD1 ASP A 34 -10.725 -2.210 1.184 1.00 0.88 O ATOM 129 OD2 ASP A 34 -10.696 -3.670 -0.441 1.00 1.15 O ATOM 0 H ASP A 34 -8.316 -2.309 -0.910 1.00 0.35 H new ATOM 0 HA ASP A 34 -9.541 0.127 -1.952 1.00 0.45 H new ATOM 0 HB2 ASP A 34 -11.574 -0.717 -0.823 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -10.928 -1.806 -2.034 1.00 0.55 H new ATOM 134 N GLY A 35 -9.926 1.424 0.189 1.00 0.67 N ATOM 135 CA GLY A 35 -9.820 2.318 1.329 1.00 0.84 C ATOM 136 C GLY A 35 -10.521 1.763 2.547 1.00 0.85 C ATOM 137 O GLY A 35 -10.391 2.290 3.655 1.00 1.20 O ATOM 0 H GLY A 35 -10.529 1.761 -0.562 1.00 0.67 H new ATOM 0 HA2 GLY A 35 -8.769 2.487 1.561 1.00 0.84 H new ATOM 0 HA3 GLY A 35 -10.250 3.286 1.072 1.00 0.84 H new ATOM 141 N ASP A 36 -11.263 0.693 2.329 1.00 0.69 N ATOM 142 CA ASP A 36 -11.973 0.005 3.387 1.00 0.83 C ATOM 143 C ASP A 36 -10.982 -0.769 4.258 1.00 0.83 C ATOM 144 O ASP A 36 -11.140 -0.841 5.479 1.00 1.10 O ATOM 145 CB ASP A 36 -13.027 -0.917 2.770 1.00 0.89 C ATOM 146 CG ASP A 36 -13.788 -1.737 3.795 1.00 1.24 C ATOM 147 OD1 ASP A 36 -13.534 -2.955 3.905 1.00 1.81 O ATOM 148 OD2 ASP A 36 -14.663 -1.173 4.489 1.00 1.77 O ATOM 0 H ASP A 36 -11.390 0.276 1.407 1.00 0.69 H new ATOM 0 HA ASP A 36 -12.483 0.724 4.028 1.00 0.83 H new ATOM 0 HB2 ASP A 36 -13.735 -0.316 2.199 1.00 0.89 H new ATOM 0 HB3 ASP A 36 -12.541 -1.591 2.065 1.00 0.89 H new ATOM 153 N GLY A 37 -9.945 -1.320 3.628 1.00 0.67 N ATOM 154 CA GLY A 37 -8.855 -1.916 4.384 1.00 0.81 C ATOM 155 C GLY A 37 -8.314 -3.202 3.781 1.00 0.78 C ATOM 156 O GLY A 37 -7.392 -3.802 4.335 1.00 1.05 O ATOM 0 H GLY A 37 -9.841 -1.364 2.614 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -8.043 -1.193 4.461 1.00 0.81 H new ATOM 0 HA3 GLY A 37 -9.199 -2.119 5.398 1.00 0.81 H new ATOM 160 N ASN A 38 -8.859 -3.619 2.647 1.00 0.61 N ATOM 161 CA ASN A 38 -8.500 -4.908 2.049 1.00 0.73 C ATOM 162 C ASN A 38 -7.644 -4.714 0.809 1.00 0.57 C ATOM 163 O ASN A 38 -7.650 -3.649 0.192 1.00 0.49 O ATOM 164 CB ASN A 38 -9.762 -5.688 1.668 1.00 0.95 C ATOM 165 CG ASN A 38 -10.826 -5.648 2.742 1.00 1.13 C ATOM 166 OD1 ASN A 38 -10.928 -6.548 3.579 1.00 1.57 O ATOM 167 ND2 ASN A 38 -11.625 -4.592 2.727 1.00 1.38 N ATOM 0 H ASN A 38 -9.551 -3.088 2.119 1.00 0.61 H new ATOM 0 HA ASN A 38 -7.930 -5.469 2.790 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -10.170 -5.279 0.744 1.00 0.95 H new ATOM 0 HB3 ASN A 38 -9.495 -6.725 1.467 1.00 0.95 H new ATOM 0 HD21 ASN A 38 -12.361 -4.499 3.427 1.00 1.38 H new ATOM 0 HD22 ASN A 38 -11.504 -3.871 2.016 1.00 1.38 H new ATOM 174 N ILE A 39 -6.905 -5.750 0.446 1.00 0.65 N ATOM 175 CA ILE A 39 -6.135 -5.741 -0.786 1.00 0.57 C ATOM 176 C ILE A 39 -7.039 -6.189 -1.936 1.00 0.59 C ATOM 177 O ILE A 39 -7.903 -7.046 -1.744 1.00 0.77 O ATOM 178 CB ILE A 39 -5.069 -6.538 -0.695 1.00 0.62 C ATOM 179 CG1 ILE A 39 -4.135 -6.101 0.435 1.00 0.72 C ATOM 180 CG2 ILE A 39 -4.302 -6.596 -2.018 1.00 0.61 C ATOM 181 CD1 ILE A 39 -3.525 -4.729 0.248 1.00 1.18 C ATOM 0 H ILE A 39 -6.822 -6.610 0.989 1.00 0.65 H new ATOM 0 HA ILE A 39 -5.772 -4.730 -0.971 1.00 0.57 H new ATOM 0 HB ILE A 39 -5.439 -7.537 -0.466 1.00 0.62 H new ATOM 0 HG12 ILE A 39 -4.690 -6.114 1.373 1.00 0.72 H new ATOM 0 HG13 ILE A 39 -3.332 -6.832 0.529 1.00 0.72 H new ATOM 0 HG21 ILE A 39 -3.439 -7.254 -1.910 1.00 0.61 H new ATOM 0 HG22 ILE A 39 -4.956 -6.980 -2.801 1.00 0.61 H new ATOM 0 HG23 ILE A 39 -3.964 -5.595 -2.287 1.00 0.61 H new ATOM 0 HD11 ILE A 39 -2.878 -4.500 1.095 1.00 1.18 H new ATOM 0 HD12 ILE A 39 -2.940 -4.713 -0.671 1.00 1.18 H new ATOM 0 HD13 ILE A 39 -4.318 -3.984 0.186 1.00 1.18 H new ATOM 193 N LEU A 40 -6.902 -5.566 -3.101 1.00 0.51 N ATOM 194 CA LEU A 40 -7.748 -5.923 -4.230 1.00 0.61 C ATOM 195 C LEU A 40 -6.953 -6.670 -5.290 1.00 0.60 C ATOM 196 O LEU A 40 -7.325 -7.774 -5.690 1.00 0.72 O ATOM 197 CB LEU A 40 -8.415 -4.684 -4.835 1.00 0.66 C ATOM 198 CG LEU A 40 -9.444 -4.984 -5.932 1.00 1.07 C ATOM 199 CD1 LEU A 40 -10.504 -5.950 -5.425 1.00 1.56 C ATOM 200 CD2 LEU A 40 -10.094 -3.700 -6.427 1.00 1.54 C ATOM 0 H LEU A 40 -6.226 -4.825 -3.286 1.00 0.51 H new ATOM 0 HA LEU A 40 -8.532 -6.583 -3.859 1.00 0.61 H new ATOM 0 HB2 LEU A 40 -8.906 -4.126 -4.038 1.00 0.66 H new ATOM 0 HB3 LEU A 40 -7.642 -4.036 -5.248 1.00 0.66 H new ATOM 0 HG LEU A 40 -8.921 -5.451 -6.767 1.00 1.07 H new ATOM 0 HD11 LEU A 40 -11.224 -6.149 -6.219 1.00 1.56 H new ATOM 0 HD12 LEU A 40 -10.030 -6.884 -5.122 1.00 1.56 H new ATOM 0 HD13 LEU A 40 -11.018 -5.510 -4.571 1.00 1.56 H new ATOM 0 HD21 LEU A 40 -10.820 -3.936 -7.205 1.00 1.54 H new ATOM 0 HD22 LEU A 40 -10.599 -3.204 -5.598 1.00 1.54 H new ATOM 0 HD23 LEU A 40 -9.329 -3.038 -6.834 1.00 1.54 H new ATOM 212 N GLN A 41 -5.855 -6.082 -5.744 1.00 0.50 N ATOM 213 CA GLN A 41 -5.010 -6.755 -6.732 1.00 0.55 C ATOM 214 C GLN A 41 -3.549 -6.385 -6.555 1.00 0.46 C ATOM 215 O GLN A 41 -3.217 -5.242 -6.239 1.00 0.46 O ATOM 216 CB GLN A 41 -5.453 -6.455 -8.176 1.00 0.67 C ATOM 217 CG GLN A 41 -5.285 -5.007 -8.608 1.00 1.08 C ATOM 218 CD GLN A 41 -5.512 -4.810 -10.095 1.00 1.73 C ATOM 219 OE1 GLN A 41 -5.237 -5.700 -10.900 1.00 2.41 O ATOM 220 NE2 GLN A 41 -6.025 -3.650 -10.473 1.00 2.37 N ATOM 0 H GLN A 41 -5.529 -5.160 -5.454 1.00 0.50 H new ATOM 0 HA GLN A 41 -5.127 -7.825 -6.558 1.00 0.55 H new ATOM 0 HB2 GLN A 41 -4.884 -7.090 -8.855 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -6.502 -6.732 -8.284 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -5.984 -4.383 -8.052 1.00 1.08 H new ATOM 0 HG3 GLN A 41 -4.281 -4.669 -8.350 1.00 1.08 H new ATOM 0 HE21 GLN A 41 -6.240 -2.936 -9.777 1.00 2.37 H new ATOM 0 HE22 GLN A 41 -6.205 -3.470 -11.461 1.00 2.37 H new ATOM 229 N TYR A 42 -2.682 -7.367 -6.749 1.00 0.57 N ATOM 230 CA TYR A 42 -1.248 -7.146 -6.705 1.00 0.58 C ATOM 231 C TYR A 42 -0.676 -7.301 -8.102 1.00 0.65 C ATOM 232 O TYR A 42 -0.788 -8.362 -8.714 1.00 0.79 O ATOM 233 CB TYR A 42 -0.564 -8.127 -5.745 1.00 0.71 C ATOM 234 CG TYR A 42 0.947 -8.003 -5.712 1.00 0.82 C ATOM 235 CD1 TYR A 42 1.752 -8.921 -6.374 1.00 1.09 C ATOM 236 CD2 TYR A 42 1.566 -6.964 -5.030 1.00 0.82 C ATOM 237 CE1 TYR A 42 3.130 -8.806 -6.357 1.00 1.26 C ATOM 238 CE2 TYR A 42 2.943 -6.842 -5.008 1.00 1.02 C ATOM 239 CZ TYR A 42 3.722 -7.788 -5.633 1.00 1.21 C ATOM 240 OH TYR A 42 5.094 -7.646 -5.654 1.00 1.42 O ATOM 0 H TYR A 42 -2.952 -8.332 -6.940 1.00 0.57 H new ATOM 0 HA TYR A 42 -1.062 -6.137 -6.338 1.00 0.58 H new ATOM 0 HB2 TYR A 42 -0.954 -7.967 -4.740 1.00 0.71 H new ATOM 0 HB3 TYR A 42 -0.829 -9.145 -6.032 1.00 0.71 H new ATOM 0 HD1 TYR A 42 1.294 -9.738 -6.911 1.00 1.09 H new ATOM 0 HD2 TYR A 42 0.961 -6.238 -4.507 1.00 0.82 H new ATOM 0 HE1 TYR A 42 3.740 -9.508 -6.906 1.00 1.26 H new ATOM 0 HE2 TYR A 42 3.405 -6.007 -4.502 1.00 1.02 H new ATOM 0 HH TYR A 42 5.353 -6.883 -5.096 1.00 1.42 H new ATOM 250 N ASN A 43 -0.082 -6.242 -8.606 1.00 0.63 N ATOM 251 CA ASN A 43 0.473 -6.249 -9.942 1.00 0.75 C ATOM 252 C ASN A 43 1.953 -6.584 -9.845 1.00 0.92 C ATOM 253 O ASN A 43 2.545 -6.440 -8.773 1.00 1.02 O ATOM 254 CB ASN A 43 0.254 -4.890 -10.632 1.00 0.78 C ATOM 255 CG ASN A 43 -1.199 -4.416 -10.581 1.00 0.73 C ATOM 256 OD1 ASN A 43 -1.924 -4.664 -9.619 1.00 1.21 O ATOM 257 ND2 ASN A 43 -1.647 -3.743 -11.623 1.00 0.88 N ATOM 0 H ASN A 43 0.030 -5.359 -8.107 1.00 0.63 H new ATOM 0 HA ASN A 43 -0.031 -7.001 -10.549 1.00 0.75 H new ATOM 0 HB2 ASN A 43 0.890 -4.142 -10.158 1.00 0.78 H new ATOM 0 HB3 ASN A 43 0.569 -4.963 -11.673 1.00 0.78 H new ATOM 0 HD21 ASN A 43 -2.613 -3.416 -11.642 1.00 0.88 H new ATOM 0 HD22 ASN A 43 -1.027 -3.549 -12.410 1.00 0.88 H new ATOM 756 N GLY A 77 0.799 6.061 2.616 1.00 3.20 N ATOM 757 CA GLY A 77 0.969 7.488 2.449 1.00 2.71 C ATOM 758 C GLY A 77 -0.107 8.260 3.169 1.00 1.94 C ATOM 759 O GLY A 77 -1.134 8.580 2.573 1.00 2.44 O ATOM 0 HA2 GLY A 77 1.947 7.786 2.827 1.00 2.71 H new ATOM 0 HA3 GLY A 77 0.948 7.736 1.388 1.00 2.71 H new ATOM 763 N LYS A 78 0.135 8.539 4.458 1.00 1.39 N ATOM 764 CA LYS A 78 -0.822 9.233 5.329 1.00 1.29 C ATOM 765 C LYS A 78 -2.242 8.713 5.115 1.00 1.03 C ATOM 766 O LYS A 78 -3.195 9.483 5.015 1.00 1.02 O ATOM 767 CB LYS A 78 -0.755 10.764 5.143 1.00 2.10 C ATOM 768 CG LYS A 78 -1.130 11.272 3.754 1.00 2.61 C ATOM 769 CD LYS A 78 -1.101 12.787 3.696 1.00 3.18 C ATOM 770 CE LYS A 78 -1.483 13.304 2.319 1.00 3.78 C ATOM 771 NZ LYS A 78 -1.557 14.789 2.293 1.00 4.14 N ATOM 0 H LYS A 78 1.005 8.288 4.927 1.00 1.39 H new ATOM 0 HA LYS A 78 -0.539 9.017 6.359 1.00 1.29 H new ATOM 0 HB2 LYS A 78 -1.417 11.231 5.873 1.00 2.10 H new ATOM 0 HB3 LYS A 78 0.257 11.097 5.372 1.00 2.10 H new ATOM 0 HG2 LYS A 78 -0.439 10.864 3.016 1.00 2.61 H new ATOM 0 HG3 LYS A 78 -2.125 10.915 3.490 1.00 2.61 H new ATOM 0 HD2 LYS A 78 -1.786 13.193 4.440 1.00 3.18 H new ATOM 0 HD3 LYS A 78 -0.103 13.142 3.954 1.00 3.18 H new ATOM 0 HE2 LYS A 78 -0.752 12.963 1.586 1.00 3.78 H new ATOM 0 HE3 LYS A 78 -2.446 12.886 2.027 1.00 3.78 H new ATOM 0 HZ1 LYS A 78 -1.787 15.108 1.330 1.00 4.14 H new ATOM 0 HZ2 LYS A 78 -2.296 15.111 2.950 1.00 4.14 H new ATOM 0 HZ3 LYS A 78 -0.640 15.187 2.580 1.00 4.14 H new ATOM 785 N PHE A 79 -2.373 7.387 5.108 1.00 0.95 N ATOM 786 CA PHE A 79 -3.620 6.720 4.736 1.00 0.77 C ATOM 787 C PHE A 79 -4.818 7.290 5.490 1.00 0.70 C ATOM 788 O PHE A 79 -5.917 7.408 4.914 1.00 0.64 O ATOM 789 CB PHE A 79 -3.520 5.210 4.992 1.00 0.88 C ATOM 790 CG PHE A 79 -4.629 4.425 4.344 1.00 0.79 C ATOM 791 CD1 PHE A 79 -5.699 3.946 5.085 1.00 0.86 C ATOM 792 CD2 PHE A 79 -4.599 4.176 2.985 1.00 0.78 C ATOM 793 CE1 PHE A 79 -6.716 3.233 4.475 1.00 0.85 C ATOM 794 CE2 PHE A 79 -5.610 3.466 2.371 1.00 0.84 C ATOM 795 CZ PHE A 79 -6.670 2.994 3.115 1.00 0.82 C ATOM 0 H PHE A 79 -1.620 6.746 5.359 1.00 0.95 H new ATOM 0 HA PHE A 79 -3.774 6.899 3.672 1.00 0.77 H new ATOM 0 HB2 PHE A 79 -2.562 4.848 4.620 1.00 0.88 H new ATOM 0 HB3 PHE A 79 -3.535 5.028 6.067 1.00 0.88 H new ATOM 0 HD1 PHE A 79 -5.739 4.131 6.148 1.00 0.86 H new ATOM 0 HD2 PHE A 79 -3.772 4.543 2.395 1.00 0.78 H new ATOM 0 HE1 PHE A 79 -7.545 2.864 5.061 1.00 0.85 H new ATOM 0 HE2 PHE A 79 -5.571 3.280 1.308 1.00 0.84 H new ATOM 0 HZ PHE A 79 -7.463 2.439 2.636 1.00 0.82 H new ATOM 805 N LYS A 80 -4.590 7.685 6.754 1.00 0.82 N ATOM 806 CA LYS A 80 -5.673 8.171 7.604 1.00 0.89 C ATOM 807 C LYS A 80 -6.218 9.493 7.071 1.00 0.81 C ATOM 808 O LYS A 80 -7.430 9.721 7.051 1.00 0.87 O ATOM 809 CB LYS A 80 -5.190 8.338 9.048 1.00 1.12 C ATOM 810 CG LYS A 80 -6.278 8.807 10.000 1.00 1.66 C ATOM 811 CD LYS A 80 -5.773 8.891 11.429 1.00 2.17 C ATOM 812 CE LYS A 80 -6.852 9.393 12.377 1.00 2.87 C ATOM 813 NZ LYS A 80 -8.052 8.517 12.376 1.00 3.48 N ATOM 0 H LYS A 80 -3.673 7.675 7.200 1.00 0.82 H new ATOM 0 HA LYS A 80 -6.476 7.434 7.591 1.00 0.89 H new ATOM 0 HB2 LYS A 80 -4.793 7.387 9.402 1.00 1.12 H new ATOM 0 HB3 LYS A 80 -4.368 9.053 9.067 1.00 1.12 H new ATOM 0 HG2 LYS A 80 -6.642 9.785 9.684 1.00 1.66 H new ATOM 0 HG3 LYS A 80 -7.124 8.121 9.952 1.00 1.66 H new ATOM 0 HD2 LYS A 80 -5.432 7.908 11.753 1.00 2.17 H new ATOM 0 HD3 LYS A 80 -4.911 9.557 11.472 1.00 2.17 H new ATOM 0 HE2 LYS A 80 -6.447 9.451 13.387 1.00 2.87 H new ATOM 0 HE3 LYS A 80 -7.142 10.404 12.092 1.00 2.87 H new ATOM 0 HZ1 LYS A 80 -8.662 8.763 13.182 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -8.579 8.651 11.490 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -7.756 7.523 12.456 1.00 3.48 H new ATOM 827 N GLU A 81 -5.314 10.345 6.612 1.00 0.78 N ATOM 828 CA GLU A 81 -5.692 11.632 6.059 1.00 0.78 C ATOM 829 C GLU A 81 -6.164 11.439 4.630 1.00 0.62 C ATOM 830 O GLU A 81 -7.047 12.141 4.159 1.00 0.64 O ATOM 831 CB GLU A 81 -4.509 12.605 6.094 1.00 0.96 C ATOM 832 CG GLU A 81 -4.877 14.022 5.683 1.00 1.53 C ATOM 833 CD GLU A 81 -3.665 14.901 5.459 1.00 2.31 C ATOM 834 OE1 GLU A 81 -3.285 15.122 4.290 1.00 3.07 O ATOM 835 OE2 GLU A 81 -3.075 15.365 6.452 1.00 2.63 O ATOM 0 H GLU A 81 -4.310 10.165 6.613 1.00 0.78 H new ATOM 0 HA GLU A 81 -6.497 12.055 6.659 1.00 0.78 H new ATOM 0 HB2 GLU A 81 -4.094 12.624 7.102 1.00 0.96 H new ATOM 0 HB3 GLU A 81 -3.725 12.235 5.433 1.00 0.96 H new ATOM 0 HG2 GLU A 81 -5.470 13.988 4.769 1.00 1.53 H new ATOM 0 HG3 GLU A 81 -5.506 14.467 6.454 1.00 1.53 H new ATOM 842 N GLY A 82 -5.588 10.448 3.967 1.00 0.55 N ATOM 843 CA GLY A 82 -5.918 10.159 2.602 1.00 0.47 C ATOM 844 C GLY A 82 -7.381 9.834 2.432 1.00 0.46 C ATOM 845 O GLY A 82 -8.041 10.315 1.508 1.00 0.49 O ATOM 0 H GLY A 82 -4.883 9.830 4.368 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -5.662 11.015 1.978 1.00 0.47 H new ATOM 0 HA3 GLY A 82 -5.317 9.319 2.254 1.00 0.47 H new ATOM 849 N VAL A 83 -7.880 9.025 3.353 1.00 0.51 N ATOM 850 CA VAL A 83 -9.274 8.608 3.353 1.00 0.61 C ATOM 851 C VAL A 83 -10.191 9.807 3.578 1.00 0.70 C ATOM 852 O VAL A 83 -11.128 10.043 2.812 1.00 0.79 O ATOM 853 CB VAL A 83 -9.494 7.717 4.307 1.00 0.70 C ATOM 854 CG1 VAL A 83 -10.971 7.330 4.379 1.00 0.85 C ATOM 855 CG2 VAL A 83 -8.640 6.479 4.104 1.00 0.69 C ATOM 0 H VAL A 83 -7.331 8.639 4.121 1.00 0.51 H new ATOM 0 HA VAL A 83 -9.488 8.161 2.382 1.00 0.61 H new ATOM 0 HB VAL A 83 -9.216 8.181 5.253 1.00 0.70 H new ATOM 0 HG11 VAL A 83 -11.117 6.597 5.172 1.00 0.85 H new ATOM 0 HG12 VAL A 83 -11.570 8.216 4.589 1.00 0.85 H new ATOM 0 HG13 VAL A 83 -11.281 6.900 3.427 1.00 0.85 H new ATOM 0 HG21 VAL A 83 -8.841 5.764 4.902 1.00 0.69 H new ATOM 0 HG22 VAL A 83 -8.879 6.026 3.142 1.00 0.69 H new ATOM 0 HG23 VAL A 83 -7.586 6.757 4.123 1.00 0.69 H new ATOM 865 N ALA A 84 -9.880 10.595 4.600 1.00 0.76 N ATOM 866 CA ALA A 84 -10.766 11.672 5.024 1.00 0.94 C ATOM 867 C ALA A 84 -10.609 12.898 4.143 1.00 0.88 C ATOM 868 O ALA A 84 -11.520 13.718 4.037 1.00 1.07 O ATOM 869 CB ALA A 84 -10.522 12.026 6.483 1.00 1.12 C ATOM 0 H ALA A 84 -9.024 10.509 5.149 1.00 0.76 H new ATOM 0 HA ALA A 84 -11.791 11.317 4.921 1.00 0.94 H new ATOM 0 HB1 ALA A 84 -11.194 12.832 6.779 1.00 1.12 H new ATOM 0 HB2 ALA A 84 -10.708 11.151 7.106 1.00 1.12 H new ATOM 0 HB3 ALA A 84 -9.489 12.349 6.611 1.00 1.12 H new ATOM 875 N SER A 85 -9.452 13.025 3.522 1.00 0.76 N ATOM 876 CA SER A 85 -9.239 14.082 2.543 1.00 0.84 C ATOM 877 C SER A 85 -10.148 13.852 1.338 1.00 0.94 C ATOM 878 O SER A 85 -10.626 14.796 0.710 1.00 1.22 O ATOM 879 CB SER A 85 -7.771 14.130 2.105 1.00 1.19 C ATOM 880 OG SER A 85 -7.522 15.216 1.229 1.00 1.88 O ATOM 0 H SER A 85 -8.648 12.416 3.674 1.00 0.76 H new ATOM 0 HA SER A 85 -9.484 15.041 3.000 1.00 0.84 H new ATOM 0 HB2 SER A 85 -7.132 14.217 2.983 1.00 1.19 H new ATOM 0 HB3 SER A 85 -7.508 13.195 1.610 1.00 1.19 H new ATOM 0 HG SER A 85 -6.577 15.218 0.970 1.00 1.88 H new ATOM 886 N GLY A 86 -10.395 12.581 1.033 1.00 0.96 N ATOM 887 CA GLY A 86 -11.266 12.238 -0.069 1.00 1.46 C ATOM 888 C GLY A 86 -10.528 12.235 -1.385 1.00 1.21 C ATOM 889 O GLY A 86 -11.137 12.269 -2.455 1.00 1.66 O ATOM 0 H GLY A 86 -10.004 11.783 1.533 1.00 0.96 H new ATOM 0 HA2 GLY A 86 -11.703 11.255 0.105 1.00 1.46 H new ATOM 0 HA3 GLY A 86 -12.090 12.949 -0.116 1.00 1.46 H new ATOM 893 N ASN A 87 -9.208 12.199 -1.302 1.00 0.66 N ATOM 894 CA ASN A 87 -8.372 12.200 -2.494 1.00 0.67 C ATOM 895 C ASN A 87 -6.962 11.725 -2.168 1.00 0.52 C ATOM 896 O ASN A 87 -5.981 12.426 -2.393 1.00 0.72 O ATOM 897 CB ASN A 87 -8.356 13.588 -3.178 1.00 0.95 C ATOM 898 CG ASN A 87 -7.760 14.708 -2.329 1.00 1.40 C ATOM 899 OD1 ASN A 87 -6.565 14.998 -2.405 1.00 2.08 O ATOM 900 ND2 ASN A 87 -8.590 15.360 -1.532 1.00 1.72 N ATOM 0 H ASN A 87 -8.692 12.169 -0.423 1.00 0.66 H new ATOM 0 HA ASN A 87 -8.807 11.497 -3.204 1.00 0.67 H new ATOM 0 HB2 ASN A 87 -7.791 13.514 -4.107 1.00 0.95 H new ATOM 0 HB3 ASN A 87 -9.377 13.858 -3.447 1.00 0.95 H new ATOM 0 HD21 ASN A 87 -8.246 16.129 -0.956 1.00 1.72 H new ATOM 0 HD22 ASN A 87 -9.574 15.094 -1.493 1.00 1.72 H new ATOM 907 N LEU A 88 -6.875 10.522 -1.620 1.00 0.40 N ATOM 908 CA LEU A 88 -5.593 9.896 -1.354 1.00 0.32 C ATOM 909 C LEU A 88 -4.851 9.606 -2.648 1.00 0.30 C ATOM 910 O LEU A 88 -4.905 8.499 -3.168 1.00 0.34 O ATOM 911 CB LEU A 88 -5.783 8.602 -0.588 1.00 0.37 C ATOM 912 CG LEU A 88 -4.676 8.303 0.393 1.00 0.42 C ATOM 913 CD1 LEU A 88 -5.035 7.109 1.259 1.00 0.56 C ATOM 914 CD2 LEU A 88 -3.343 8.071 -0.302 1.00 0.48 C ATOM 0 H LEU A 88 -7.682 9.960 -1.351 1.00 0.40 H new ATOM 0 HA LEU A 88 -5.004 10.590 -0.755 1.00 0.32 H new ATOM 0 HB2 LEU A 88 -6.730 8.646 -0.050 1.00 0.37 H new ATOM 0 HB3 LEU A 88 -5.858 7.779 -1.298 1.00 0.37 H new ATOM 0 HG LEU A 88 -4.565 9.181 1.029 1.00 0.42 H new ATOM 0 HD11 LEU A 88 -4.224 6.910 1.959 1.00 0.56 H new ATOM 0 HD12 LEU A 88 -5.949 7.323 1.814 1.00 0.56 H new ATOM 0 HD13 LEU A 88 -5.191 6.235 0.627 1.00 0.56 H new ATOM 0 HD21 LEU A 88 -2.576 7.859 0.443 1.00 0.48 H new ATOM 0 HD22 LEU A 88 -3.430 7.225 -0.983 1.00 0.48 H new ATOM 0 HD23 LEU A 88 -3.066 8.963 -0.865 1.00 0.48 H new ATOM 926 N ASN A 89 -4.203 10.618 -3.174 1.00 0.32 N ATOM 927 CA ASN A 89 -3.374 10.467 -4.350 1.00 0.34 C ATOM 928 C ASN A 89 -2.166 11.385 -4.233 1.00 0.40 C ATOM 929 O ASN A 89 -2.259 12.587 -4.496 1.00 0.50 O ATOM 930 CB ASN A 89 -4.205 10.788 -5.604 1.00 0.41 C ATOM 931 CG ASN A 89 -3.369 10.919 -6.865 1.00 1.12 C ATOM 932 OD1 ASN A 89 -2.355 10.242 -7.041 1.00 2.01 O ATOM 933 ND2 ASN A 89 -3.791 11.805 -7.754 1.00 1.62 N ATOM 0 H ASN A 89 -4.234 11.567 -2.802 1.00 0.32 H new ATOM 0 HA ASN A 89 -3.016 9.441 -4.433 1.00 0.34 H new ATOM 0 HB2 ASN A 89 -4.948 10.003 -5.749 1.00 0.41 H new ATOM 0 HB3 ASN A 89 -4.751 11.717 -5.441 1.00 0.41 H new ATOM 0 HD21 ASN A 89 -3.271 11.945 -8.620 1.00 1.62 H new ATOM 0 HD22 ASN A 89 -4.636 12.347 -7.572 1.00 1.62 H new ATOM 940 N THR A 90 -1.032 10.828 -3.803 1.00 0.39 N ATOM 941 CA THR A 90 0.184 11.603 -3.623 1.00 0.50 C ATOM 942 C THR A 90 1.402 10.698 -3.781 1.00 0.55 C ATOM 943 O THR A 90 1.299 9.477 -3.634 1.00 0.69 O ATOM 944 CB THR A 90 0.225 12.175 -2.413 1.00 0.68 C ATOM 945 OG1 THR A 90 -1.045 12.764 -2.083 1.00 1.67 O ATOM 946 CG2 THR A 90 1.293 13.256 -2.323 1.00 1.22 C ATOM 0 H THR A 90 -0.937 9.839 -3.574 1.00 0.39 H new ATOM 0 HA THR A 90 0.193 12.387 -4.381 1.00 0.50 H new ATOM 0 HB THR A 90 0.468 11.381 -1.707 1.00 0.68 H new ATOM 0 HG1 THR A 90 -0.994 13.175 -1.195 1.00 1.67 H new ATOM 0 HG21 THR A 90 1.288 13.690 -1.323 1.00 1.22 H new ATOM 0 HG22 THR A 90 2.271 12.819 -2.523 1.00 1.22 H new ATOM 0 HG23 THR A 90 1.086 14.034 -3.058 1.00 1.22 H new ATOM 954 N MET A 91 2.523 11.278 -4.174 1.00 0.72 N ATOM 955 CA MET A 91 3.796 10.584 -4.099 1.00 1.00 C ATOM 956 C MET A 91 4.561 11.065 -2.875 1.00 0.88 C ATOM 957 O MET A 91 4.914 12.241 -2.760 1.00 0.92 O ATOM 958 CB MET A 91 4.637 10.773 -5.367 1.00 1.53 C ATOM 959 CG MET A 91 4.903 12.225 -5.736 1.00 2.33 C ATOM 960 SD MET A 91 6.235 12.402 -6.941 1.00 3.24 S ATOM 961 CE MET A 91 7.644 11.871 -5.967 1.00 3.94 C ATOM 0 H MET A 91 2.577 12.226 -4.547 1.00 0.72 H new ATOM 0 HA MET A 91 3.593 9.517 -4.013 1.00 1.00 H new ATOM 0 HB2 MET A 91 5.592 10.264 -5.234 1.00 1.53 H new ATOM 0 HB3 MET A 91 4.130 10.286 -6.200 1.00 1.53 H new ATOM 0 HG2 MET A 91 3.992 12.666 -6.140 1.00 2.33 H new ATOM 0 HG3 MET A 91 5.156 12.784 -4.835 1.00 2.33 H new ATOM 0 HE1 MET A 91 8.553 12.318 -6.369 1.00 3.94 H new ATOM 0 HE2 MET A 91 7.511 12.187 -4.932 1.00 3.94 H new ATOM 0 HE3 MET A 91 7.726 10.785 -6.007 1.00 3.94 H new ATOM 971 N PHE A 92 4.790 10.157 -1.949 1.00 0.98 N ATOM 972 CA PHE A 92 5.493 10.487 -0.726 1.00 1.01 C ATOM 973 C PHE A 92 6.815 9.741 -0.673 1.00 0.90 C ATOM 974 O PHE A 92 6.838 8.521 -0.534 1.00 0.85 O ATOM 975 CB PHE A 92 4.630 10.133 0.489 1.00 1.24 C ATOM 976 CG PHE A 92 5.233 10.536 1.805 1.00 1.49 C ATOM 977 CD1 PHE A 92 5.166 11.850 2.238 1.00 1.94 C ATOM 978 CD2 PHE A 92 5.855 9.599 2.616 1.00 1.58 C ATOM 979 CE1 PHE A 92 5.709 12.223 3.454 1.00 2.47 C ATOM 980 CE2 PHE A 92 6.401 9.965 3.830 1.00 2.01 C ATOM 981 CZ PHE A 92 6.328 11.278 4.250 1.00 2.46 C ATOM 0 H PHE A 92 4.499 9.182 -2.020 1.00 0.98 H new ATOM 0 HA PHE A 92 5.694 11.558 -0.708 1.00 1.01 H new ATOM 0 HB2 PHE A 92 3.658 10.614 0.384 1.00 1.24 H new ATOM 0 HB3 PHE A 92 4.454 9.057 0.496 1.00 1.24 H new ATOM 0 HD1 PHE A 92 4.684 12.592 1.619 1.00 1.94 H new ATOM 0 HD2 PHE A 92 5.913 8.570 2.294 1.00 1.58 H new ATOM 0 HE1 PHE A 92 5.649 13.251 3.781 1.00 2.47 H new ATOM 0 HE2 PHE A 92 6.885 9.225 4.450 1.00 2.01 H new ATOM 0 HZ PHE A 92 6.754 11.566 5.200 1.00 2.46 H new ATOM 991 N GLU A 93 7.912 10.465 -0.811 1.00 0.98 N ATOM 992 CA GLU A 93 9.225 9.849 -0.749 1.00 0.97 C ATOM 993 C GLU A 93 9.893 10.149 0.589 1.00 1.21 C ATOM 994 O GLU A 93 10.205 11.305 0.902 1.00 1.50 O ATOM 995 CB GLU A 93 10.105 10.307 -1.919 1.00 1.18 C ATOM 996 CG GLU A 93 10.206 11.815 -2.078 1.00 1.33 C ATOM 997 CD GLU A 93 11.114 12.213 -3.221 1.00 1.57 C ATOM 998 OE1 GLU A 93 12.324 12.405 -2.984 1.00 1.97 O ATOM 999 OE2 GLU A 93 10.619 12.332 -4.360 1.00 1.92 O ATOM 0 H GLU A 93 7.920 11.473 -0.966 1.00 0.98 H new ATOM 0 HA GLU A 93 9.099 8.770 -0.833 1.00 0.97 H new ATOM 0 HB2 GLU A 93 11.107 9.900 -1.784 1.00 1.18 H new ATOM 0 HB3 GLU A 93 9.710 9.882 -2.842 1.00 1.18 H new ATOM 0 HG2 GLU A 93 9.211 12.228 -2.247 1.00 1.33 H new ATOM 0 HG3 GLU A 93 10.579 12.251 -1.152 1.00 1.33 H new ATOM 1006 N TYR A 94 10.101 9.098 1.375 1.00 1.23 N ATOM 1007 CA TYR A 94 10.669 9.237 2.706 1.00 1.60 C ATOM 1008 C TYR A 94 12.082 8.675 2.735 1.00 1.67 C ATOM 1009 O TYR A 94 12.342 7.600 2.195 1.00 1.62 O ATOM 1010 CB TYR A 94 9.789 8.516 3.735 1.00 1.88 C ATOM 1011 CG TYR A 94 10.288 8.627 5.163 1.00 2.23 C ATOM 1012 CD1 TYR A 94 11.009 7.595 5.750 1.00 2.63 C ATOM 1013 CD2 TYR A 94 10.040 9.765 5.920 1.00 2.62 C ATOM 1014 CE1 TYR A 94 11.466 7.691 7.050 1.00 3.18 C ATOM 1015 CE2 TYR A 94 10.495 9.868 7.224 1.00 3.33 C ATOM 1016 CZ TYR A 94 11.208 8.829 7.783 1.00 3.51 C ATOM 1017 OH TYR A 94 11.663 8.925 9.080 1.00 4.29 O ATOM 0 H TYR A 94 9.883 8.138 1.109 1.00 1.23 H new ATOM 0 HA TYR A 94 10.709 10.296 2.962 1.00 1.60 H new ATOM 0 HB2 TYR A 94 8.779 8.923 3.682 1.00 1.88 H new ATOM 0 HB3 TYR A 94 9.723 7.462 3.466 1.00 1.88 H new ATOM 0 HD1 TYR A 94 11.216 6.701 5.180 1.00 2.63 H new ATOM 0 HD2 TYR A 94 9.484 10.582 5.485 1.00 2.62 H new ATOM 0 HE1 TYR A 94 12.023 6.877 7.490 1.00 3.18 H new ATOM 0 HE2 TYR A 94 10.292 10.758 7.800 1.00 3.33 H new ATOM 0 HH TYR A 94 11.398 9.790 9.456 1.00 4.29 H new ATOM 1170 N LYS A 104 15.813 6.078 0.486 1.00 1.52 N ATOM 1171 CA LYS A 104 14.644 6.822 0.046 1.00 1.37 C ATOM 1172 C LYS A 104 13.631 5.881 -0.585 1.00 1.18 C ATOM 1173 O LYS A 104 13.913 5.262 -1.617 1.00 1.26 O ATOM 1174 CB LYS A 104 15.026 7.907 -0.966 1.00 1.53 C ATOM 1175 CG LYS A 104 13.830 8.696 -1.493 1.00 1.64 C ATOM 1176 CD LYS A 104 14.149 9.416 -2.794 1.00 2.24 C ATOM 1177 CE LYS A 104 15.161 10.537 -2.605 1.00 2.60 C ATOM 1178 NZ LYS A 104 14.603 11.668 -1.814 1.00 3.12 N ATOM 0 HA LYS A 104 14.206 7.301 0.922 1.00 1.37 H new ATOM 0 HB2 LYS A 104 15.729 8.597 -0.499 1.00 1.53 H new ATOM 0 HB3 LYS A 104 15.544 7.443 -1.806 1.00 1.53 H new ATOM 0 HG2 LYS A 104 12.990 8.019 -1.650 1.00 1.64 H new ATOM 0 HG3 LYS A 104 13.517 9.423 -0.744 1.00 1.64 H new ATOM 0 HD2 LYS A 104 14.537 8.699 -3.517 1.00 2.24 H new ATOM 0 HD3 LYS A 104 13.230 9.827 -3.213 1.00 2.24 H new ATOM 0 HE2 LYS A 104 16.045 10.145 -2.102 1.00 2.60 H new ATOM 0 HE3 LYS A 104 15.484 10.902 -3.580 1.00 2.60 H new ATOM 0 HZ1 LYS A 104 15.078 12.551 -2.088 1.00 3.12 H new ATOM 0 HZ2 LYS A 104 13.583 11.751 -1.999 1.00 3.12 H new ATOM 0 HZ3 LYS A 104 14.757 11.492 -0.801 1.00 3.12 H new ATOM 1192 N VAL A 105 12.471 5.753 0.044 1.00 1.04 N ATOM 1193 CA VAL A 105 11.377 5.016 -0.547 1.00 0.90 C ATOM 1194 C VAL A 105 10.364 5.967 -1.145 1.00 0.72 C ATOM 1195 O VAL A 105 10.346 7.152 -0.821 1.00 0.75 O ATOM 1196 CB VAL A 105 10.775 4.205 0.309 1.00 1.00 C ATOM 1197 CG1 VAL A 105 11.724 3.097 0.753 1.00 1.23 C ATOM 1198 CG2 VAL A 105 10.224 4.957 1.512 1.00 1.11 C ATOM 0 H VAL A 105 12.269 6.151 0.961 1.00 1.04 H new ATOM 0 HA VAL A 105 11.812 4.393 -1.329 1.00 0.90 H new ATOM 0 HB VAL A 105 9.927 3.754 -0.207 1.00 1.00 H new ATOM 0 HG11 VAL A 105 11.212 2.440 1.456 1.00 1.23 H new ATOM 0 HG12 VAL A 105 12.043 2.521 -0.116 1.00 1.23 H new ATOM 0 HG13 VAL A 105 12.596 3.537 1.236 1.00 1.23 H new ATOM 0 HG21 VAL A 105 9.738 4.254 2.189 1.00 1.11 H new ATOM 0 HG22 VAL A 105 11.040 5.458 2.033 1.00 1.11 H new ATOM 0 HG23 VAL A 105 9.499 5.698 1.177 1.00 1.11 H new ATOM 1208 N LYS A 106 9.565 5.463 -2.058 1.00 0.64 N ATOM 1209 CA LYS A 106 8.539 6.271 -2.690 1.00 0.59 C ATOM 1210 C LYS A 106 7.189 5.596 -2.589 1.00 0.53 C ATOM 1211 O LYS A 106 7.026 4.455 -3.013 1.00 0.68 O ATOM 1212 CB LYS A 106 8.861 6.540 -4.164 1.00 0.79 C ATOM 1213 CG LYS A 106 10.049 7.463 -4.397 1.00 1.39 C ATOM 1214 CD LYS A 106 9.987 8.077 -5.789 1.00 1.61 C ATOM 1215 CE LYS A 106 11.161 9.003 -6.060 1.00 2.08 C ATOM 1216 NZ LYS A 106 12.394 8.256 -6.414 1.00 2.36 N ATOM 0 H LYS A 106 9.604 4.497 -2.382 1.00 0.64 H new ATOM 0 HA LYS A 106 8.510 7.224 -2.161 1.00 0.59 H new ATOM 0 HB2 LYS A 106 9.055 5.588 -4.659 1.00 0.79 H new ATOM 0 HB3 LYS A 106 7.982 6.974 -4.641 1.00 0.79 H new ATOM 0 HG2 LYS A 106 10.056 8.253 -3.646 1.00 1.39 H new ATOM 0 HG3 LYS A 106 10.978 6.905 -4.281 1.00 1.39 H new ATOM 0 HD2 LYS A 106 9.974 7.282 -6.535 1.00 1.61 H new ATOM 0 HD3 LYS A 106 9.055 8.632 -5.898 1.00 1.61 H new ATOM 0 HE2 LYS A 106 10.905 9.684 -6.872 1.00 2.08 H new ATOM 0 HE3 LYS A 106 11.350 9.615 -5.178 1.00 2.08 H new ATOM 0 HZ1 LYS A 106 13.168 8.928 -6.590 1.00 2.36 H new ATOM 0 HZ2 LYS A 106 12.655 7.625 -5.630 1.00 2.36 H new ATOM 0 HZ3 LYS A 106 12.224 7.691 -7.271 1.00 2.36 H new ATOM 1230 N VAL A 107 6.231 6.297 -2.009 1.00 0.47 N ATOM 1231 CA VAL A 107 4.862 5.815 -1.975 1.00 0.49 C ATOM 1232 C VAL A 107 4.047 6.564 -2.996 1.00 0.45 C ATOM 1233 O VAL A 107 3.664 7.710 -2.764 1.00 0.74 O ATOM 1234 CB VAL A 107 4.270 6.004 -0.798 1.00 0.60 C ATOM 1235 CG1 VAL A 107 3.095 5.043 -0.643 1.00 0.99 C ATOM 1236 CG2 VAL A 107 5.239 5.871 0.368 1.00 1.11 C ATOM 0 H VAL A 107 6.375 7.200 -1.556 1.00 0.47 H new ATOM 0 HA VAL A 107 4.909 4.745 -2.176 1.00 0.49 H new ATOM 0 HB VAL A 107 3.899 7.029 -0.778 1.00 0.60 H new ATOM 0 HG11 VAL A 107 2.617 5.205 0.323 1.00 0.99 H new ATOM 0 HG12 VAL A 107 2.372 5.220 -1.440 1.00 0.99 H new ATOM 0 HG13 VAL A 107 3.455 4.016 -0.702 1.00 0.99 H new ATOM 0 HG21 VAL A 107 4.706 6.034 1.305 1.00 1.11 H new ATOM 0 HG22 VAL A 107 5.674 4.872 0.367 1.00 1.11 H new ATOM 0 HG23 VAL A 107 6.032 6.612 0.268 1.00 1.11 H new ATOM 1246 N HIS A 108 3.767 5.941 -4.121 1.00 0.30 N ATOM 1247 CA HIS A 108 2.797 6.517 -5.016 1.00 0.31 C ATOM 1248 C HIS A 108 1.475 5.872 -4.683 1.00 0.28 C ATOM 1249 O HIS A 108 1.209 4.732 -5.052 1.00 0.31 O ATOM 1250 CB HIS A 108 3.168 6.303 -6.488 1.00 0.43 C ATOM 1251 CG HIS A 108 2.464 7.247 -7.422 1.00 0.56 C ATOM 1252 ND1 HIS A 108 3.063 7.784 -8.537 1.00 0.94 N ATOM 1253 CD2 HIS A 108 1.207 7.754 -7.398 1.00 0.71 C ATOM 1254 CE1 HIS A 108 2.214 8.579 -9.156 1.00 1.01 C ATOM 1255 NE2 HIS A 108 1.078 8.579 -8.487 1.00 0.80 N ATOM 0 H HIS A 108 4.185 5.063 -4.428 1.00 0.30 H new ATOM 0 HA HIS A 108 2.753 7.598 -4.884 1.00 0.31 H new ATOM 0 HB2 HIS A 108 4.245 6.423 -6.605 1.00 0.43 H new ATOM 0 HB3 HIS A 108 2.929 5.278 -6.770 1.00 0.43 H new ATOM 0 HD2 HIS A 108 0.448 7.547 -6.659 1.00 0.71 H new ATOM 0 HE1 HIS A 108 2.415 9.136 -10.059 1.00 1.01 H new ATOM 0 HE2 HIS A 108 0.241 9.105 -8.738 1.00 0.80 H new ATOM 1264 N MET A 109 0.657 6.608 -3.972 1.00 0.31 N ATOM 1265 CA MET A 109 -0.586 6.080 -3.465 1.00 0.33 C ATOM 1266 C MET A 109 -1.712 6.910 -4.031 1.00 0.37 C ATOM 1267 O MET A 109 -1.797 8.101 -3.750 1.00 0.55 O ATOM 1268 CB MET A 109 -0.573 6.123 -1.930 1.00 0.43 C ATOM 1269 CG MET A 109 -1.514 5.129 -1.272 1.00 0.77 C ATOM 1270 SD MET A 109 -1.225 4.964 0.501 1.00 1.28 S ATOM 1271 CE MET A 109 -2.172 3.485 0.846 1.00 2.22 C ATOM 0 H MET A 109 0.832 7.583 -3.729 1.00 0.31 H new ATOM 0 HA MET A 109 -0.722 5.041 -3.765 1.00 0.33 H new ATOM 0 HB2 MET A 109 0.442 5.932 -1.581 1.00 0.43 H new ATOM 0 HB3 MET A 109 -0.838 7.129 -1.603 1.00 0.43 H new ATOM 0 HG2 MET A 109 -2.544 5.444 -1.440 1.00 0.77 H new ATOM 0 HG3 MET A 109 -1.397 4.155 -1.747 1.00 0.77 H new ATOM 0 HE1 MET A 109 -2.276 3.363 1.924 1.00 2.22 H new ATOM 0 HE2 MET A 109 -3.160 3.572 0.394 1.00 2.22 H new ATOM 0 HE3 MET A 109 -1.658 2.618 0.431 1.00 2.22 H new ATOM 1281 N LYS A 110 -2.554 6.304 -4.852 1.00 0.27 N ATOM 1282 CA LYS A 110 -3.512 7.079 -5.608 1.00 0.30 C ATOM 1283 C LYS A 110 -4.877 6.443 -5.536 1.00 0.24 C ATOM 1284 O LYS A 110 -5.012 5.228 -5.654 1.00 0.24 O ATOM 1285 CB LYS A 110 -3.067 7.233 -7.073 1.00 0.43 C ATOM 1286 CG LYS A 110 -3.053 5.943 -7.879 1.00 0.64 C ATOM 1287 CD LYS A 110 -2.568 6.192 -9.301 1.00 0.78 C ATOM 1288 CE LYS A 110 -2.647 4.934 -10.149 1.00 1.38 C ATOM 1289 NZ LYS A 110 -2.046 5.133 -11.495 1.00 1.73 N ATOM 0 H LYS A 110 -2.591 5.297 -5.008 1.00 0.27 H new ATOM 0 HA LYS A 110 -3.566 8.074 -5.166 1.00 0.30 H new ATOM 0 HB2 LYS A 110 -3.730 7.944 -7.566 1.00 0.43 H new ATOM 0 HB3 LYS A 110 -2.066 7.665 -7.090 1.00 0.43 H new ATOM 0 HG2 LYS A 110 -2.405 5.213 -7.393 1.00 0.64 H new ATOM 0 HG3 LYS A 110 -4.055 5.514 -7.903 1.00 0.64 H new ATOM 0 HD2 LYS A 110 -3.169 6.978 -9.758 1.00 0.78 H new ATOM 0 HD3 LYS A 110 -1.539 6.551 -9.277 1.00 0.78 H new ATOM 0 HE2 LYS A 110 -2.133 4.120 -9.639 1.00 1.38 H new ATOM 0 HE3 LYS A 110 -3.689 4.634 -10.258 1.00 1.38 H new ATOM 0 HZ1 LYS A 110 -2.120 4.252 -12.042 1.00 1.73 H new ATOM 0 HZ2 LYS A 110 -2.553 5.893 -11.993 1.00 1.73 H new ATOM 0 HZ3 LYS A 110 -1.044 5.394 -11.393 1.00 1.73 H new ATOM 1303 N LYS A 111 -5.881 7.266 -5.316 1.00 0.23 N ATOM 1304 CA LYS A 111 -7.237 6.819 -5.326 1.00 0.22 C ATOM 1305 C LYS A 111 -7.575 6.166 -6.656 1.00 0.22 C ATOM 1306 O LYS A 111 -7.559 6.808 -7.707 1.00 0.29 O ATOM 1307 CB LYS A 111 -8.113 8.021 -5.064 1.00 0.28 C ATOM 1308 CG LYS A 111 -9.600 7.736 -5.129 1.00 0.35 C ATOM 1309 CD LYS A 111 -10.408 8.988 -4.842 1.00 0.53 C ATOM 1310 CE LYS A 111 -11.901 8.747 -5.013 1.00 0.91 C ATOM 1311 NZ LYS A 111 -12.430 7.776 -4.017 1.00 1.78 N ATOM 0 H LYS A 111 -5.768 8.262 -5.126 1.00 0.23 H new ATOM 0 HA LYS A 111 -7.400 6.066 -4.555 1.00 0.22 H new ATOM 0 HB2 LYS A 111 -7.875 8.422 -4.079 1.00 0.28 H new ATOM 0 HB3 LYS A 111 -7.872 8.797 -5.791 1.00 0.28 H new ATOM 0 HG2 LYS A 111 -9.857 7.352 -6.116 1.00 0.35 H new ATOM 0 HG3 LYS A 111 -9.857 6.960 -4.408 1.00 0.35 H new ATOM 0 HD2 LYS A 111 -10.208 9.325 -3.825 1.00 0.53 H new ATOM 0 HD3 LYS A 111 -10.090 9.788 -5.511 1.00 0.53 H new ATOM 0 HE2 LYS A 111 -12.434 9.693 -4.915 1.00 0.91 H new ATOM 0 HE3 LYS A 111 -12.095 8.375 -6.019 1.00 0.91 H new ATOM 0 HZ1 LYS A 111 -13.456 7.912 -3.911 1.00 1.78 H new ATOM 0 HZ2 LYS A 111 -12.241 6.807 -4.343 1.00 1.78 H new ATOM 0 HZ3 LYS A 111 -11.964 7.930 -3.100 1.00 1.78 H new ATOM 1325 N ALA A 112 -7.844 4.871 -6.586 1.00 0.22 N ATOM 1326 CA ALA A 112 -8.103 4.061 -7.758 1.00 0.26 C ATOM 1327 C ALA A 112 -9.320 4.575 -8.508 1.00 0.38 C ATOM 1328 O ALA A 112 -10.284 5.042 -7.898 1.00 0.45 O ATOM 1329 CB ALA A 112 -8.321 2.612 -7.355 1.00 0.33 C ATOM 0 H ALA A 112 -7.888 4.353 -5.708 1.00 0.22 H new ATOM 0 HA ALA A 112 -7.236 4.124 -8.416 1.00 0.26 H new ATOM 0 HB1 ALA A 112 -8.515 2.012 -8.244 1.00 0.33 H new ATOM 0 HB2 ALA A 112 -7.430 2.237 -6.851 1.00 0.33 H new ATOM 0 HB3 ALA A 112 -9.174 2.547 -6.680 1.00 0.33 H new ATOM 1335 N LEU A 113 -9.283 4.466 -9.828 1.00 0.47 N ATOM 1336 CA LEU A 113 -10.402 4.893 -10.657 1.00 0.64 C ATOM 1337 C LEU A 113 -11.614 3.995 -10.422 1.00 0.76 C ATOM 1338 O LEU A 113 -12.727 4.313 -10.839 1.00 0.96 O ATOM 1339 CB LEU A 113 -10.015 4.887 -12.140 1.00 0.76 C ATOM 1340 CG LEU A 113 -9.060 5.999 -12.596 1.00 1.55 C ATOM 1341 CD1 LEU A 113 -9.582 7.364 -12.177 1.00 2.27 C ATOM 1342 CD2 LEU A 113 -7.651 5.777 -12.064 1.00 2.39 C ATOM 0 H LEU A 113 -8.492 4.086 -10.348 1.00 0.47 H new ATOM 0 HA LEU A 113 -10.663 5.913 -10.375 1.00 0.64 H new ATOM 0 HB2 LEU A 113 -9.556 3.926 -12.370 1.00 0.76 H new ATOM 0 HB3 LEU A 113 -10.927 4.955 -12.732 1.00 0.76 H new ATOM 0 HG LEU A 113 -9.013 5.966 -13.684 1.00 1.55 H new ATOM 0 HD11 LEU A 113 -8.889 8.137 -12.511 1.00 2.27 H new ATOM 0 HD12 LEU A 113 -10.560 7.534 -12.628 1.00 2.27 H new ATOM 0 HD13 LEU A 113 -9.672 7.402 -11.091 1.00 2.27 H new ATOM 0 HD21 LEU A 113 -7.002 6.583 -12.406 1.00 2.39 H new ATOM 0 HD22 LEU A 113 -7.671 5.765 -10.974 1.00 2.39 H new ATOM 0 HD23 LEU A 113 -7.270 4.824 -12.430 1.00 2.39 H new ATOM 1354 N SER A 114 -11.383 2.868 -9.756 1.00 0.73 N ATOM 1355 CA SER A 114 -12.457 1.985 -9.337 1.00 0.92 C ATOM 1356 C SER A 114 -13.391 2.711 -8.368 1.00 0.93 C ATOM 1357 O SER A 114 -14.594 2.454 -8.340 1.00 1.27 O ATOM 1358 CB SER A 114 -11.872 0.735 -8.678 1.00 1.04 C ATOM 1359 OG SER A 114 -10.945 0.096 -9.540 1.00 1.66 O ATOM 0 H SER A 114 -10.451 2.546 -9.495 1.00 0.73 H new ATOM 0 HA SER A 114 -13.034 1.686 -10.212 1.00 0.92 H new ATOM 0 HB2 SER A 114 -11.379 1.008 -7.745 1.00 1.04 H new ATOM 0 HB3 SER A 114 -12.675 0.043 -8.424 1.00 1.04 H new ATOM 0 HG SER A 114 -10.582 -0.700 -9.098 1.00 1.66 H new ATOM 1365 N GLY A 115 -12.833 3.632 -7.589 1.00 0.71 N ATOM 1366 CA GLY A 115 -13.640 4.408 -6.673 1.00 0.79 C ATOM 1367 C GLY A 115 -13.096 4.410 -5.260 1.00 0.78 C ATOM 1368 O GLY A 115 -12.172 5.165 -4.944 1.00 1.52 O ATOM 0 H GLY A 115 -11.837 3.853 -7.578 1.00 0.71 H new ATOM 0 HA2 GLY A 115 -13.703 5.435 -7.033 1.00 0.79 H new ATOM 0 HA3 GLY A 115 -14.655 4.010 -6.665 1.00 0.79 H new ATOM 1372 N ASP A 116 -13.635 3.533 -4.426 1.00 0.72 N ATOM 1373 CA ASP A 116 -13.349 3.544 -2.993 1.00 0.85 C ATOM 1374 C ASP A 116 -12.124 2.697 -2.672 1.00 0.80 C ATOM 1375 O ASP A 116 -12.131 1.873 -1.757 1.00 1.40 O ATOM 1376 CB ASP A 116 -14.564 3.035 -2.213 1.00 1.25 C ATOM 1377 CG ASP A 116 -15.827 3.801 -2.553 1.00 2.10 C ATOM 1378 OD1 ASP A 116 -16.727 3.221 -3.198 1.00 2.63 O ATOM 1379 OD2 ASP A 116 -15.928 4.990 -2.177 1.00 2.79 O ATOM 0 H ASP A 116 -14.279 2.797 -4.717 1.00 0.72 H new ATOM 0 HA ASP A 116 -13.137 4.571 -2.695 1.00 0.85 H new ATOM 0 HB2 ASP A 116 -14.714 1.977 -2.428 1.00 1.25 H new ATOM 0 HB3 ASP A 116 -14.368 3.118 -1.144 1.00 1.25 H new ATOM 1384 N SER A 117 -11.064 2.927 -3.419 1.00 0.42 N ATOM 1385 CA SER A 117 -9.831 2.184 -3.271 1.00 0.29 C ATOM 1386 C SER A 117 -8.644 3.078 -3.594 1.00 0.22 C ATOM 1387 O SER A 117 -8.801 4.112 -4.237 1.00 0.25 O ATOM 1388 CB SER A 117 -9.861 0.958 -4.174 1.00 0.34 C ATOM 1389 OG SER A 117 -10.455 1.257 -5.425 1.00 0.44 O ATOM 0 H SER A 117 -11.034 3.638 -4.149 1.00 0.42 H new ATOM 0 HA SER A 117 -9.727 1.847 -2.240 1.00 0.29 H new ATOM 0 HB2 SER A 117 -8.846 0.592 -4.329 1.00 0.34 H new ATOM 0 HB3 SER A 117 -10.417 0.158 -3.686 1.00 0.34 H new ATOM 0 HG SER A 117 -11.141 0.588 -5.629 1.00 0.44 H new ATOM 1395 N TYR A 118 -7.472 2.700 -3.114 1.00 0.19 N ATOM 1396 CA TYR A 118 -6.252 3.470 -3.343 1.00 0.19 C ATOM 1397 C TYR A 118 -5.084 2.535 -3.677 1.00 0.20 C ATOM 1398 O TYR A 118 -4.936 1.478 -3.066 1.00 0.25 O ATOM 1399 CB TYR A 118 -5.921 4.309 -2.102 1.00 0.22 C ATOM 1400 CG TYR A 118 -7.087 5.094 -1.560 1.00 0.23 C ATOM 1401 CD1 TYR A 118 -7.792 4.636 -0.470 1.00 0.30 C ATOM 1402 CD2 TYR A 118 -7.474 6.287 -2.143 1.00 0.25 C ATOM 1403 CE1 TYR A 118 -8.863 5.346 0.040 1.00 0.35 C ATOM 1404 CE2 TYR A 118 -8.546 7.008 -1.644 1.00 0.30 C ATOM 1405 CZ TYR A 118 -9.231 6.551 -0.572 1.00 0.34 C ATOM 1406 OH TYR A 118 -10.301 7.243 -0.045 1.00 0.42 O ATOM 0 H TYR A 118 -7.335 1.856 -2.557 1.00 0.19 H new ATOM 0 HA TYR A 118 -6.413 4.138 -4.189 1.00 0.19 H new ATOM 0 HB2 TYR A 118 -5.547 3.649 -1.320 1.00 0.22 H new ATOM 0 HB3 TYR A 118 -5.115 5.000 -2.349 1.00 0.22 H new ATOM 0 HD1 TYR A 118 -7.503 3.705 -0.005 1.00 0.30 H new ATOM 0 HD2 TYR A 118 -6.933 6.662 -2.999 1.00 0.25 H new ATOM 0 HE1 TYR A 118 -9.407 4.977 0.897 1.00 0.35 H new ATOM 0 HE2 TYR A 118 -8.835 7.937 -2.112 1.00 0.30 H new ATOM 0 HH TYR A 118 -10.449 8.061 -0.563 1.00 0.42 H new ATOM 1416 N TRP A 119 -4.266 2.910 -4.658 1.00 0.20 N ATOM 1417 CA TRP A 119 -3.137 2.094 -5.056 1.00 0.22 C ATOM 1418 C TRP A 119 -1.926 2.383 -4.200 1.00 0.25 C ATOM 1419 O TRP A 119 -1.839 3.418 -3.559 1.00 0.27 O ATOM 1420 CB TRP A 119 -2.751 2.369 -6.501 1.00 0.25 C ATOM 1421 CG TRP A 119 -3.724 1.874 -7.510 1.00 0.26 C ATOM 1422 CD1 TRP A 119 -4.971 2.352 -7.763 1.00 0.27 C ATOM 1423 CD2 TRP A 119 -3.501 0.808 -8.424 1.00 0.30 C ATOM 1424 NE1 TRP A 119 -5.557 1.613 -8.768 1.00 0.32 N ATOM 1425 CE2 TRP A 119 -4.666 0.657 -9.189 1.00 0.33 C ATOM 1426 CE3 TRP A 119 -2.424 -0.048 -8.656 1.00 0.34 C ATOM 1427 CZ2 TRP A 119 -4.780 -0.319 -10.175 1.00 0.40 C ATOM 1428 CZ3 TRP A 119 -2.534 -1.007 -9.628 1.00 0.40 C ATOM 1429 CH2 TRP A 119 -3.706 -1.144 -10.380 1.00 0.42 C ATOM 0 H TRP A 119 -4.370 3.775 -5.188 1.00 0.20 H new ATOM 0 HA TRP A 119 -3.444 1.055 -4.935 1.00 0.22 H new ATOM 0 HB2 TRP A 119 -2.629 3.444 -6.632 1.00 0.25 H new ATOM 0 HB3 TRP A 119 -1.781 1.912 -6.697 1.00 0.25 H new ATOM 0 HD1 TRP A 119 -5.433 3.185 -7.254 1.00 0.27 H new ATOM 0 HE1 TRP A 119 -6.497 1.753 -9.138 1.00 0.32 H new ATOM 0 HE3 TRP A 119 -1.517 0.044 -8.078 1.00 0.34 H new ATOM 0 HZ2 TRP A 119 -5.683 -0.422 -10.758 1.00 0.40 H new ATOM 0 HZ3 TRP A 119 -1.702 -1.669 -9.817 1.00 0.40 H new ATOM 0 HH2 TRP A 119 -3.765 -1.914 -11.135 1.00 0.42 H new ATOM 1440 N VAL A 120 -0.988 1.462 -4.240 1.00 0.28 N ATOM 1441 CA VAL A 120 0.270 1.571 -3.521 1.00 0.32 C ATOM 1442 C VAL A 120 1.420 1.167 -4.442 1.00 0.34 C ATOM 1443 O VAL A 120 1.708 -0.022 -4.613 1.00 0.43 O ATOM 1444 CB VAL A 120 0.287 0.777 -2.454 1.00 0.38 C ATOM 1445 CG1 VAL A 120 1.590 0.945 -1.675 1.00 0.56 C ATOM 1446 CG2 VAL A 120 -0.904 1.011 -1.539 1.00 0.62 C ATOM 0 H VAL A 120 -1.076 0.601 -4.781 1.00 0.28 H new ATOM 0 HA VAL A 120 0.381 2.605 -3.195 1.00 0.32 H new ATOM 0 HB VAL A 120 0.219 -0.247 -2.822 1.00 0.38 H new ATOM 0 HG11 VAL A 120 1.582 0.286 -0.807 1.00 0.56 H new ATOM 0 HG12 VAL A 120 2.433 0.689 -2.317 1.00 0.56 H new ATOM 0 HG13 VAL A 120 1.686 1.979 -1.345 1.00 0.56 H new ATOM 0 HG21 VAL A 120 -0.843 0.338 -0.683 1.00 0.62 H new ATOM 0 HG22 VAL A 120 -0.897 2.044 -1.190 1.00 0.62 H new ATOM 0 HG23 VAL A 120 -1.827 0.819 -2.087 1.00 0.62 H new ATOM 1456 N PHE A 121 2.074 2.146 -5.039 1.00 0.34 N ATOM 1457 CA PHE A 121 3.253 1.877 -5.846 1.00 0.42 C ATOM 1458 C PHE A 121 4.488 2.238 -5.036 1.00 0.40 C ATOM 1459 O PHE A 121 4.789 3.418 -4.861 1.00 0.49 O ATOM 1460 CB PHE A 121 3.260 2.700 -7.131 1.00 0.61 C ATOM 1461 CG PHE A 121 2.051 2.535 -8.004 1.00 0.49 C ATOM 1462 CD1 PHE A 121 0.942 3.344 -7.829 1.00 0.52 C ATOM 1463 CD2 PHE A 121 2.014 1.560 -8.987 1.00 0.98 C ATOM 1464 CE1 PHE A 121 -0.180 3.183 -8.616 1.00 0.96 C ATOM 1465 CE2 PHE A 121 0.896 1.397 -9.778 1.00 1.49 C ATOM 1466 CZ PHE A 121 -0.168 2.249 -9.649 1.00 1.45 C ATOM 0 H PHE A 121 1.812 3.130 -4.982 1.00 0.34 H new ATOM 0 HA PHE A 121 3.247 0.821 -6.116 1.00 0.42 H new ATOM 0 HB2 PHE A 121 3.357 3.753 -6.868 1.00 0.61 H new ATOM 0 HB3 PHE A 121 4.145 2.433 -7.709 1.00 0.61 H new ATOM 0 HD1 PHE A 121 0.955 4.110 -7.068 1.00 0.52 H new ATOM 0 HD2 PHE A 121 2.871 0.920 -9.136 1.00 0.98 H new ATOM 0 HE1 PHE A 121 -1.062 3.778 -8.432 1.00 0.96 H new ATOM 0 HE2 PHE A 121 0.860 0.595 -10.501 1.00 1.49 H new ATOM 0 HZ PHE A 121 -0.993 2.197 -10.344 1.00 1.45 H new ATOM 1476 N VAL A 122 5.183 1.239 -4.527 1.00 0.49 N ATOM 1477 CA VAL A 122 6.370 1.490 -3.728 1.00 0.61 C ATOM 1478 C VAL A 122 7.624 1.473 -4.607 1.00 0.73 C ATOM 1479 O VAL A 122 7.644 0.833 -5.659 1.00 0.95 O ATOM 1480 CB VAL A 122 6.469 0.621 -2.719 1.00 0.77 C ATOM 1481 CG1 VAL A 122 6.745 -0.797 -3.216 1.00 1.61 C ATOM 1482 CG2 VAL A 122 7.507 1.055 -1.692 1.00 1.52 C ATOM 0 H VAL A 122 4.950 0.254 -4.650 1.00 0.49 H new ATOM 0 HA VAL A 122 6.280 2.484 -3.289 1.00 0.61 H new ATOM 0 HB VAL A 122 5.500 0.612 -2.219 1.00 0.77 H new ATOM 0 HG11 VAL A 122 6.819 -1.473 -2.364 1.00 1.61 H new ATOM 0 HG12 VAL A 122 5.932 -1.119 -3.866 1.00 1.61 H new ATOM 0 HG13 VAL A 122 7.682 -0.812 -3.773 1.00 1.61 H new ATOM 0 HG21 VAL A 122 7.554 0.319 -0.889 1.00 1.52 H new ATOM 0 HG22 VAL A 122 8.483 1.132 -2.171 1.00 1.52 H new ATOM 0 HG23 VAL A 122 7.228 2.025 -1.280 1.00 1.52 H new ATOM 1492 N LYS A 123 8.617 2.268 -4.226 1.00 0.76 N ATOM 1493 CA LYS A 123 9.897 2.297 -4.910 1.00 0.97 C ATOM 1494 C LYS A 123 10.995 2.659 -3.943 1.00 1.04 C ATOM 1495 O LYS A 123 10.738 3.167 -2.857 1.00 1.02 O ATOM 1496 CB LYS A 123 9.913 3.313 -6.061 1.00 1.11 C ATOM 1497 CG LYS A 123 9.340 2.797 -7.370 1.00 1.66 C ATOM 1498 CD LYS A 123 9.709 3.712 -8.532 1.00 2.03 C ATOM 1499 CE LYS A 123 11.223 3.804 -8.712 1.00 2.74 C ATOM 1500 NZ LYS A 123 11.608 4.706 -9.831 1.00 3.45 N ATOM 0 H LYS A 123 8.554 2.909 -3.435 1.00 0.76 H new ATOM 0 HA LYS A 123 10.058 1.300 -5.320 1.00 0.97 H new ATOM 0 HB2 LYS A 123 9.351 4.196 -5.757 1.00 1.11 H new ATOM 0 HB3 LYS A 123 10.941 3.633 -6.231 1.00 1.11 H new ATOM 0 HG2 LYS A 123 9.714 1.791 -7.562 1.00 1.66 H new ATOM 0 HG3 LYS A 123 8.255 2.724 -7.291 1.00 1.66 H new ATOM 0 HD2 LYS A 123 9.254 3.338 -9.449 1.00 2.03 H new ATOM 0 HD3 LYS A 123 9.301 4.707 -8.357 1.00 2.03 H new ATOM 0 HE2 LYS A 123 11.675 4.163 -7.787 1.00 2.74 H new ATOM 0 HE3 LYS A 123 11.625 2.808 -8.897 1.00 2.74 H new ATOM 0 HZ1 LYS A 123 12.644 4.735 -9.913 1.00 3.45 H new ATOM 0 HZ2 LYS A 123 11.200 4.351 -10.719 1.00 3.45 H new ATOM 0 HZ3 LYS A 123 11.249 5.664 -9.644 1.00 3.45 H new