USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 414 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 32 GLN : amide:sc= -4.11! K(o=-4.1!,f=-1) USER MOD Single : A 38 ASN : amide:sc= -2.6! K(o=-2.6!,f=-0.01) USER MOD Single : A 41 GLN : amide:sc= 0.0308 X(o=0.031,f=-0.021) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 1.14 K(o=1.1,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 85 SER OG : rot -84:sc= 1.17 USER MOD Single : A 87 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.67) USER MOD Single : A 89 ASN : amide:sc= -0.0385 K(o=-0.038,f=-2.1!) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.149 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+ 169:sc= 0.123 (180deg=-0.202!) USER MOD Single : A 106 LYS NZ :NH3+ -116:sc= 1.2 (180deg=-0.0483) USER MOD Single : A 108 HIS : no HD1:sc= -0.254 X(o=-0.25,f=-0.014) USER MOD Single : A 109 MET CE :methyl -111:sc= -0.705 (180deg=-2.6!) USER MOD Single : A 110 LYS NZ :NH3+ -145:sc= 0.0535 (180deg=-0.15) USER MOD Single : A 111 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0631) USER MOD Single : A 114 SER OG : rot -125:sc= 0.872 USER MOD Single : A 117 SER OG : rot 180:sc= -0.429 USER MOD Single : A 118 TYR OH : rot 180:sc= -0.616 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 29 5.861 -3.659 -7.177 1.00 1.43 N ATOM 51 CA GLY A 29 5.915 -2.308 -6.664 1.00 0.99 C ATOM 52 C GLY A 29 4.551 -1.665 -6.694 1.00 0.78 C ATOM 53 O GLY A 29 4.281 -0.724 -5.953 1.00 1.00 O ATOM 0 HA2 GLY A 29 6.294 -2.318 -5.642 1.00 0.99 H new ATOM 0 HA3 GLY A 29 6.613 -1.717 -7.257 1.00 0.99 H new ATOM 57 N ALA A 30 3.682 -2.196 -7.545 1.00 0.70 N ATOM 58 CA ALA A 30 2.351 -1.647 -7.716 1.00 0.54 C ATOM 59 C ALA A 30 1.292 -2.583 -7.144 1.00 0.49 C ATOM 60 O ALA A 30 1.001 -3.636 -7.714 1.00 0.60 O ATOM 61 CB ALA A 30 2.078 -1.389 -9.191 1.00 0.68 C ATOM 0 H ALA A 30 3.880 -3.009 -8.128 1.00 0.70 H new ATOM 0 HA ALA A 30 2.301 -0.704 -7.171 1.00 0.54 H new ATOM 0 HB1 ALA A 30 1.076 -0.977 -9.309 1.00 0.68 H new ATOM 0 HB2 ALA A 30 2.810 -0.680 -9.578 1.00 0.68 H new ATOM 0 HB3 ALA A 30 2.152 -2.325 -9.744 1.00 0.68 H new ATOM 67 N ILE A 31 0.725 -2.208 -6.015 1.00 0.40 N ATOM 68 CA ILE A 31 -0.360 -2.969 -5.423 1.00 0.39 C ATOM 69 C ILE A 31 -1.567 -2.067 -5.223 1.00 0.35 C ATOM 70 O ILE A 31 -1.429 -0.886 -4.921 1.00 0.36 O ATOM 71 CB ILE A 31 0.023 -3.582 -4.294 1.00 0.46 C ATOM 72 CG1 ILE A 31 -1.101 -4.358 -3.594 1.00 0.48 C ATOM 73 CG2 ILE A 31 0.709 -2.613 -3.334 1.00 0.52 C ATOM 74 CD1 ILE A 31 -1.906 -3.572 -2.570 1.00 0.90 C ATOM 0 H ILE A 31 0.997 -1.379 -5.487 1.00 0.40 H new ATOM 0 HA ILE A 31 -0.649 -3.767 -6.107 1.00 0.39 H new ATOM 0 HB ILE A 31 0.751 -4.332 -4.604 1.00 0.46 H new ATOM 0 HG12 ILE A 31 -1.785 -4.736 -4.354 1.00 0.48 H new ATOM 0 HG13 ILE A 31 -0.665 -5.225 -3.098 1.00 0.48 H new ATOM 0 HG21 ILE A 31 1.006 -3.145 -2.430 1.00 0.52 H new ATOM 0 HG22 ILE A 31 1.592 -2.191 -3.813 1.00 0.52 H new ATOM 0 HG23 ILE A 31 0.019 -1.810 -3.073 1.00 0.52 H new ATOM 0 HD11 ILE A 31 -2.672 -4.216 -2.138 1.00 0.90 H new ATOM 0 HD12 ILE A 31 -1.243 -3.217 -1.781 1.00 0.90 H new ATOM 0 HD13 ILE A 31 -2.380 -2.720 -3.057 1.00 0.90 H new ATOM 86 N GLN A 32 -2.737 -2.604 -5.505 1.00 0.38 N ATOM 87 CA GLN A 32 -3.967 -1.848 -5.360 1.00 0.40 C ATOM 88 C GLN A 32 -4.791 -2.387 -4.200 1.00 0.37 C ATOM 89 O GLN A 32 -5.069 -3.589 -4.110 1.00 0.44 O ATOM 90 CB GLN A 32 -4.775 -1.869 -6.661 1.00 0.50 C ATOM 91 CG GLN A 32 -5.288 -3.240 -7.057 1.00 0.55 C ATOM 92 CD GLN A 32 -6.044 -3.224 -8.366 1.00 1.11 C ATOM 93 OE1 GLN A 32 -5.466 -3.426 -9.433 1.00 2.22 O ATOM 94 NE2 GLN A 32 -7.340 -2.971 -8.295 1.00 0.93 N ATOM 0 H GLN A 32 -2.863 -3.561 -5.836 1.00 0.38 H new ATOM 0 HA GLN A 32 -3.709 -0.812 -5.142 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -5.624 -1.193 -6.559 1.00 0.50 H new ATOM 0 HB3 GLN A 32 -4.153 -1.480 -7.467 1.00 0.50 H new ATOM 0 HG2 GLN A 32 -4.447 -3.929 -7.136 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -5.939 -3.621 -6.270 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -7.779 -2.809 -7.389 1.00 0.93 H new ATOM 0 HE22 GLN A 32 -7.900 -2.938 -9.147 1.00 0.93 H new ATOM 103 N LEU A 33 -5.155 -1.497 -3.300 1.00 0.34 N ATOM 104 CA LEU A 33 -5.968 -1.865 -2.155 1.00 0.36 C ATOM 105 C LEU A 33 -7.226 -1.022 -2.119 1.00 0.35 C ATOM 106 O LEU A 33 -7.329 -0.009 -2.806 1.00 0.43 O ATOM 107 CB LEU A 33 -5.157 -1.749 -0.852 1.00 0.45 C ATOM 108 CG LEU A 33 -4.389 -0.440 -0.632 1.00 0.46 C ATOM 109 CD1 LEU A 33 -5.313 0.673 -0.166 1.00 0.72 C ATOM 110 CD2 LEU A 33 -3.268 -0.654 0.373 1.00 0.71 C ATOM 0 H LEU A 33 -4.901 -0.510 -3.338 1.00 0.34 H new ATOM 0 HA LEU A 33 -6.270 -2.908 -2.251 1.00 0.36 H new ATOM 0 HB2 LEU A 33 -5.839 -1.888 -0.013 1.00 0.45 H new ATOM 0 HB3 LEU A 33 -4.443 -2.572 -0.822 1.00 0.45 H new ATOM 0 HG LEU A 33 -3.959 -0.137 -1.586 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -4.737 1.587 -0.019 1.00 0.72 H new ATOM 0 HD12 LEU A 33 -6.083 0.846 -0.918 1.00 0.72 H new ATOM 0 HD13 LEU A 33 -5.783 0.386 0.775 1.00 0.72 H new ATOM 0 HD21 LEU A 33 -2.729 0.282 0.522 1.00 0.71 H new ATOM 0 HD22 LEU A 33 -3.689 -0.985 1.322 1.00 0.71 H new ATOM 0 HD23 LEU A 33 -2.581 -1.412 -0.004 1.00 0.71 H new ATOM 122 N ASP A 34 -8.196 -1.461 -1.358 1.00 0.35 N ATOM 123 CA ASP A 34 -9.445 -0.717 -1.251 1.00 0.45 C ATOM 124 C ASP A 34 -9.357 0.338 -0.165 1.00 0.53 C ATOM 125 O ASP A 34 -8.439 0.339 0.659 1.00 0.58 O ATOM 126 CB ASP A 34 -10.652 -1.645 -1.030 1.00 0.55 C ATOM 127 CG ASP A 34 -10.683 -2.349 0.316 1.00 0.65 C ATOM 128 OD1 ASP A 34 -9.930 -1.965 1.229 1.00 0.88 O ATOM 129 OD2 ASP A 34 -11.498 -3.286 0.465 1.00 1.15 O ATOM 0 H ASP A 34 -8.156 -2.318 -0.806 1.00 0.35 H new ATOM 0 HA ASP A 34 -9.603 -0.211 -2.203 1.00 0.45 H new ATOM 0 HB2 ASP A 34 -11.565 -1.060 -1.138 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -10.661 -2.399 -1.817 1.00 0.55 H new ATOM 134 N GLY A 35 -10.314 1.245 -0.183 1.00 0.67 N ATOM 135 CA GLY A 35 -10.371 2.297 0.814 1.00 0.84 C ATOM 136 C GLY A 35 -10.908 1.801 2.141 1.00 0.85 C ATOM 137 O GLY A 35 -11.495 2.561 2.914 1.00 1.20 O ATOM 0 H GLY A 35 -11.062 1.275 -0.876 1.00 0.67 H new ATOM 0 HA2 GLY A 35 -9.373 2.711 0.960 1.00 0.84 H new ATOM 0 HA3 GLY A 35 -11.002 3.107 0.449 1.00 0.84 H new ATOM 141 N ASP A 36 -10.703 0.522 2.405 1.00 0.69 N ATOM 142 CA ASP A 36 -11.219 -0.103 3.604 1.00 0.83 C ATOM 143 C ASP A 36 -10.101 -0.818 4.355 1.00 0.83 C ATOM 144 O ASP A 36 -10.285 -1.277 5.484 1.00 1.10 O ATOM 145 CB ASP A 36 -12.322 -1.082 3.223 1.00 0.89 C ATOM 146 CG ASP A 36 -13.189 -1.464 4.402 1.00 1.24 C ATOM 147 OD1 ASP A 36 -13.454 -2.673 4.589 1.00 1.81 O ATOM 148 OD2 ASP A 36 -13.614 -0.557 5.154 1.00 1.77 O ATOM 0 H ASP A 36 -10.178 -0.106 1.797 1.00 0.69 H new ATOM 0 HA ASP A 36 -11.630 0.662 4.263 1.00 0.83 H new ATOM 0 HB2 ASP A 36 -12.945 -0.638 2.446 1.00 0.89 H new ATOM 0 HB3 ASP A 36 -11.875 -1.981 2.798 1.00 0.89 H new ATOM 153 N GLY A 37 -8.938 -0.909 3.719 1.00 0.67 N ATOM 154 CA GLY A 37 -7.789 -1.525 4.354 1.00 0.81 C ATOM 155 C GLY A 37 -7.578 -2.953 3.892 1.00 0.78 C ATOM 156 O GLY A 37 -6.789 -3.699 4.479 1.00 1.05 O ATOM 0 H GLY A 37 -8.771 -0.566 2.773 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -6.897 -0.938 4.135 1.00 0.81 H new ATOM 0 HA3 GLY A 37 -7.922 -1.511 5.436 1.00 0.81 H new ATOM 160 N ASN A 38 -8.295 -3.334 2.845 1.00 0.61 N ATOM 161 CA ASN A 38 -8.215 -4.677 2.287 1.00 0.73 C ATOM 162 C ASN A 38 -7.457 -4.654 0.974 1.00 0.57 C ATOM 163 O ASN A 38 -7.505 -3.669 0.234 1.00 0.49 O ATOM 164 CB ASN A 38 -9.614 -5.256 2.060 1.00 0.95 C ATOM 165 CG ASN A 38 -10.311 -5.699 3.337 1.00 1.13 C ATOM 166 OD1 ASN A 38 -11.114 -6.624 3.313 1.00 1.57 O ATOM 167 ND2 ASN A 38 -10.017 -5.052 4.456 1.00 1.38 N ATOM 0 H ASN A 38 -8.949 -2.721 2.358 1.00 0.61 H new ATOM 0 HA ASN A 38 -7.685 -5.309 3.000 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -10.230 -4.507 1.562 1.00 0.95 H new ATOM 0 HB3 ASN A 38 -9.539 -6.108 1.384 1.00 0.95 H new ATOM 0 HD21 ASN A 38 -10.464 -5.320 5.333 1.00 1.38 H new ATOM 0 HD22 ASN A 38 -9.343 -4.286 4.440 1.00 1.38 H new ATOM 174 N ILE A 39 -6.756 -5.735 0.682 1.00 0.65 N ATOM 175 CA ILE A 39 -5.996 -5.827 -0.544 1.00 0.57 C ATOM 176 C ILE A 39 -6.907 -6.284 -1.675 1.00 0.59 C ATOM 177 O ILE A 39 -7.637 -7.267 -1.537 1.00 0.77 O ATOM 178 CB ILE A 39 -4.985 -6.679 -0.422 1.00 0.62 C ATOM 179 CG1 ILE A 39 -4.076 -6.318 0.758 1.00 0.72 C ATOM 180 CG2 ILE A 39 -4.169 -6.748 -1.710 1.00 0.61 C ATOM 181 CD1 ILE A 39 -3.516 -4.908 0.702 1.00 1.18 C ATOM 0 H ILE A 39 -6.700 -6.560 1.280 1.00 0.65 H new ATOM 0 HA ILE A 39 -5.589 -4.841 -0.766 1.00 0.57 H new ATOM 0 HB ILE A 39 -5.417 -7.660 -0.226 1.00 0.62 H new ATOM 0 HG12 ILE A 39 -4.637 -6.438 1.685 1.00 0.72 H new ATOM 0 HG13 ILE A 39 -3.247 -7.025 0.794 1.00 0.72 H new ATOM 0 HG21 ILE A 39 -3.347 -7.453 -1.583 1.00 0.61 H new ATOM 0 HG22 ILE A 39 -4.808 -7.080 -2.528 1.00 0.61 H new ATOM 0 HG23 ILE A 39 -3.768 -5.761 -1.940 1.00 0.61 H new ATOM 0 HD11 ILE A 39 -2.884 -4.733 1.573 1.00 1.18 H new ATOM 0 HD12 ILE A 39 -2.925 -4.787 -0.206 1.00 1.18 H new ATOM 0 HD13 ILE A 39 -4.337 -4.190 0.699 1.00 1.18 H new ATOM 193 N LEU A 40 -6.881 -5.561 -2.780 1.00 0.51 N ATOM 194 CA LEU A 40 -7.751 -5.871 -3.896 1.00 0.61 C ATOM 195 C LEU A 40 -7.002 -6.707 -4.921 1.00 0.60 C ATOM 196 O LEU A 40 -7.492 -7.746 -5.365 1.00 0.72 O ATOM 197 CB LEU A 40 -8.284 -4.582 -4.527 1.00 0.66 C ATOM 198 CG LEU A 40 -9.375 -4.770 -5.586 1.00 1.07 C ATOM 199 CD1 LEU A 40 -10.555 -5.530 -5.005 1.00 1.56 C ATOM 200 CD2 LEU A 40 -9.827 -3.420 -6.121 1.00 1.54 C ATOM 0 H LEU A 40 -6.269 -4.758 -2.927 1.00 0.51 H new ATOM 0 HA LEU A 40 -8.602 -6.449 -3.535 1.00 0.61 H new ATOM 0 HB2 LEU A 40 -8.677 -3.945 -3.734 1.00 0.66 H new ATOM 0 HB3 LEU A 40 -7.449 -4.048 -4.981 1.00 0.66 H new ATOM 0 HG LEU A 40 -8.962 -5.352 -6.410 1.00 1.07 H new ATOM 0 HD11 LEU A 40 -11.320 -5.654 -5.771 1.00 1.56 H new ATOM 0 HD12 LEU A 40 -10.223 -6.510 -4.661 1.00 1.56 H new ATOM 0 HD13 LEU A 40 -10.969 -4.972 -4.165 1.00 1.56 H new ATOM 0 HD21 LEU A 40 -10.602 -3.568 -6.873 1.00 1.54 H new ATOM 0 HD22 LEU A 40 -10.224 -2.819 -5.303 1.00 1.54 H new ATOM 0 HD23 LEU A 40 -8.979 -2.904 -6.571 1.00 1.54 H new ATOM 212 N GLN A 41 -5.803 -6.262 -5.278 1.00 0.50 N ATOM 213 CA GLN A 41 -4.981 -6.989 -6.239 1.00 0.55 C ATOM 214 C GLN A 41 -3.531 -6.524 -6.183 1.00 0.46 C ATOM 215 O GLN A 41 -3.233 -5.343 -6.354 1.00 0.46 O ATOM 216 CB GLN A 41 -5.532 -6.809 -7.658 1.00 0.67 C ATOM 217 CG GLN A 41 -4.776 -7.576 -8.739 1.00 1.08 C ATOM 218 CD GLN A 41 -4.837 -9.082 -8.561 1.00 1.73 C ATOM 219 OE1 GLN A 41 -5.783 -9.733 -9.003 1.00 2.41 O ATOM 220 NE2 GLN A 41 -3.807 -9.658 -7.960 1.00 2.37 N ATOM 0 H GLN A 41 -5.380 -5.406 -4.919 1.00 0.50 H new ATOM 0 HA GLN A 41 -5.014 -8.046 -5.975 1.00 0.55 H new ATOM 0 HB2 GLN A 41 -6.575 -7.124 -7.670 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.517 -5.748 -7.907 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -5.187 -7.316 -9.714 1.00 1.08 H new ATOM 0 HG3 GLN A 41 -3.733 -7.259 -8.738 1.00 1.08 H new ATOM 0 HE21 GLN A 41 -3.039 -9.088 -7.605 1.00 2.37 H new ATOM 0 HE22 GLN A 41 -3.781 -10.672 -7.852 1.00 2.37 H new ATOM 229 N TYR A 42 -2.639 -7.458 -5.915 1.00 0.57 N ATOM 230 CA TYR A 42 -1.217 -7.201 -6.024 1.00 0.58 C ATOM 231 C TYR A 42 -0.776 -7.532 -7.439 1.00 0.65 C ATOM 232 O TYR A 42 -1.009 -8.642 -7.919 1.00 0.79 O ATOM 233 CB TYR A 42 -0.438 -8.039 -5.002 1.00 0.71 C ATOM 234 CG TYR A 42 1.063 -7.840 -5.058 1.00 0.82 C ATOM 235 CD1 TYR A 42 1.867 -8.684 -5.812 1.00 1.09 C ATOM 236 CD2 TYR A 42 1.672 -6.806 -4.358 1.00 0.82 C ATOM 237 CE1 TYR A 42 3.236 -8.505 -5.869 1.00 1.26 C ATOM 238 CE2 TYR A 42 3.040 -6.619 -4.409 1.00 1.02 C ATOM 239 CZ TYR A 42 3.819 -7.478 -5.158 1.00 1.21 C ATOM 240 OH TYR A 42 5.181 -7.285 -5.219 1.00 1.42 O ATOM 0 H TYR A 42 -2.876 -8.405 -5.619 1.00 0.57 H new ATOM 0 HA TYR A 42 -1.013 -6.152 -5.812 1.00 0.58 H new ATOM 0 HB2 TYR A 42 -0.790 -7.791 -4.001 1.00 0.71 H new ATOM 0 HB3 TYR A 42 -0.661 -9.093 -5.166 1.00 0.71 H new ATOM 0 HD1 TYR A 42 1.415 -9.495 -6.364 1.00 1.09 H new ATOM 0 HD2 TYR A 42 1.066 -6.137 -3.764 1.00 0.82 H new ATOM 0 HE1 TYR A 42 3.846 -9.166 -6.467 1.00 1.26 H new ATOM 0 HE2 TYR A 42 3.497 -5.805 -3.866 1.00 1.02 H new ATOM 0 HH TYR A 42 5.428 -6.518 -4.661 1.00 1.42 H new ATOM 250 N ASN A 43 -0.173 -6.571 -8.117 1.00 0.63 N ATOM 251 CA ASN A 43 0.236 -6.776 -9.497 1.00 0.75 C ATOM 252 C ASN A 43 1.563 -7.510 -9.550 1.00 0.92 C ATOM 253 O ASN A 43 2.593 -6.996 -9.119 1.00 1.02 O ATOM 254 CB ASN A 43 0.343 -5.449 -10.257 1.00 0.78 C ATOM 255 CG ASN A 43 -0.982 -4.716 -10.359 1.00 0.73 C ATOM 256 OD1 ASN A 43 -1.775 -4.958 -11.269 1.00 1.21 O ATOM 257 ND2 ASN A 43 -1.220 -3.799 -9.434 1.00 0.88 N ATOM 0 H ASN A 43 0.043 -5.648 -7.739 1.00 0.63 H new ATOM 0 HA ASN A 43 -0.531 -7.381 -9.981 1.00 0.75 H new ATOM 0 HB2 ASN A 43 1.069 -4.808 -9.757 1.00 0.78 H new ATOM 0 HB3 ASN A 43 0.724 -5.641 -11.260 1.00 0.78 H new ATOM 0 HD21 ASN A 43 -2.087 -3.262 -9.459 1.00 0.88 H new ATOM 0 HD22 ASN A 43 -0.536 -3.629 -8.696 1.00 0.88 H new ATOM 756 N GLY A 77 0.849 6.416 2.994 1.00 3.20 N ATOM 757 CA GLY A 77 0.570 7.829 2.837 1.00 2.71 C ATOM 758 C GLY A 77 -0.464 8.320 3.825 1.00 1.94 C ATOM 759 O GLY A 77 -1.321 9.133 3.476 1.00 2.44 O ATOM 0 HA2 GLY A 77 1.492 8.396 2.966 1.00 2.71 H new ATOM 0 HA3 GLY A 77 0.219 8.018 1.822 1.00 2.71 H new ATOM 763 N LYS A 78 -0.374 7.820 5.058 1.00 1.39 N ATOM 764 CA LYS A 78 -1.335 8.141 6.111 1.00 1.29 C ATOM 765 C LYS A 78 -2.751 7.849 5.617 1.00 1.03 C ATOM 766 O LYS A 78 -3.554 8.752 5.386 1.00 1.02 O ATOM 767 CB LYS A 78 -1.171 9.599 6.555 1.00 2.10 C ATOM 768 CG LYS A 78 -1.842 9.926 7.879 1.00 2.61 C ATOM 769 CD LYS A 78 -1.165 11.107 8.559 1.00 3.18 C ATOM 770 CE LYS A 78 0.281 10.785 8.914 1.00 3.78 C ATOM 771 NZ LYS A 78 0.975 11.934 9.554 1.00 4.14 N ATOM 0 H LYS A 78 0.366 7.183 5.353 1.00 1.39 H new ATOM 0 HA LYS A 78 -1.147 7.516 6.984 1.00 1.29 H new ATOM 0 HB2 LYS A 78 -0.108 9.826 6.634 1.00 2.10 H new ATOM 0 HB3 LYS A 78 -1.580 10.251 5.783 1.00 2.10 H new ATOM 0 HG2 LYS A 78 -2.894 10.154 7.710 1.00 2.61 H new ATOM 0 HG3 LYS A 78 -1.805 9.055 8.534 1.00 2.61 H new ATOM 0 HD2 LYS A 78 -1.196 11.975 7.901 1.00 3.18 H new ATOM 0 HD3 LYS A 78 -1.713 11.373 9.463 1.00 3.18 H new ATOM 0 HE2 LYS A 78 0.305 9.928 9.587 1.00 3.78 H new ATOM 0 HE3 LYS A 78 0.819 10.496 8.011 1.00 3.78 H new ATOM 0 HZ1 LYS A 78 1.955 11.667 9.777 1.00 4.14 H new ATOM 0 HZ2 LYS A 78 0.977 12.745 8.903 1.00 4.14 H new ATOM 0 HZ3 LYS A 78 0.479 12.195 10.430 1.00 4.14 H new ATOM 785 N PHE A 79 -3.035 6.559 5.475 1.00 0.95 N ATOM 786 CA PHE A 79 -4.216 6.071 4.763 1.00 0.77 C ATOM 787 C PHE A 79 -5.510 6.744 5.218 1.00 0.70 C ATOM 788 O PHE A 79 -6.390 7.025 4.381 1.00 0.64 O ATOM 789 CB PHE A 79 -4.327 4.554 4.935 1.00 0.88 C ATOM 790 CG PHE A 79 -5.420 3.926 4.117 1.00 0.79 C ATOM 791 CD1 PHE A 79 -6.620 3.568 4.708 1.00 0.86 C ATOM 792 CD2 PHE A 79 -5.247 3.695 2.760 1.00 0.78 C ATOM 793 CE1 PHE A 79 -7.626 2.986 3.965 1.00 0.85 C ATOM 794 CE2 PHE A 79 -6.251 3.114 2.011 1.00 0.84 C ATOM 795 CZ PHE A 79 -7.438 2.774 2.596 1.00 0.82 C ATOM 0 H PHE A 79 -2.449 5.815 5.853 1.00 0.95 H new ATOM 0 HA PHE A 79 -4.085 6.325 3.711 1.00 0.77 H new ATOM 0 HB2 PHE A 79 -3.375 4.097 4.664 1.00 0.88 H new ATOM 0 HB3 PHE A 79 -4.500 4.329 5.988 1.00 0.88 H new ATOM 0 HD1 PHE A 79 -6.770 3.746 5.763 1.00 0.86 H new ATOM 0 HD2 PHE A 79 -4.318 3.972 2.285 1.00 0.78 H new ATOM 0 HE1 PHE A 79 -8.553 2.696 4.438 1.00 0.85 H new ATOM 0 HE2 PHE A 79 -6.097 2.928 0.958 1.00 0.84 H new ATOM 0 HZ PHE A 79 -8.230 2.342 2.002 1.00 0.82 H new ATOM 805 N LYS A 80 -5.609 7.040 6.522 1.00 0.82 N ATOM 806 CA LYS A 80 -6.858 7.545 7.085 1.00 0.89 C ATOM 807 C LYS A 80 -7.102 8.984 6.642 1.00 0.81 C ATOM 808 O LYS A 80 -8.243 9.441 6.563 1.00 0.87 O ATOM 809 CB LYS A 80 -6.852 7.441 8.613 1.00 1.12 C ATOM 810 CG LYS A 80 -8.200 7.752 9.249 1.00 1.66 C ATOM 811 CD LYS A 80 -8.194 7.503 10.750 1.00 2.17 C ATOM 812 CE LYS A 80 -7.993 6.031 11.082 1.00 2.87 C ATOM 813 NZ LYS A 80 -8.056 5.781 12.548 1.00 3.48 N ATOM 0 H LYS A 80 -4.848 6.939 7.194 1.00 0.82 H new ATOM 0 HA LYS A 80 -7.674 6.927 6.710 1.00 0.89 H new ATOM 0 HB2 LYS A 80 -6.548 6.434 8.899 1.00 1.12 H new ATOM 0 HB3 LYS A 80 -6.104 8.126 9.013 1.00 1.12 H new ATOM 0 HG2 LYS A 80 -8.461 8.793 9.055 1.00 1.66 H new ATOM 0 HG3 LYS A 80 -8.971 7.138 8.783 1.00 1.66 H new ATOM 0 HD2 LYS A 80 -7.401 8.091 11.212 1.00 2.17 H new ATOM 0 HD3 LYS A 80 -9.136 7.846 11.178 1.00 2.17 H new ATOM 0 HE2 LYS A 80 -8.756 5.437 10.579 1.00 2.87 H new ATOM 0 HE3 LYS A 80 -7.028 5.700 10.698 1.00 2.87 H new ATOM 0 HZ1 LYS A 80 -7.915 4.768 12.734 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -7.311 6.328 13.026 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -8.986 6.073 12.910 1.00 3.48 H new ATOM 827 N GLU A 81 -6.027 9.681 6.316 1.00 0.78 N ATOM 828 CA GLU A 81 -6.124 11.053 5.856 1.00 0.78 C ATOM 829 C GLU A 81 -6.461 11.059 4.377 1.00 0.62 C ATOM 830 O GLU A 81 -7.157 11.942 3.885 1.00 0.64 O ATOM 831 CB GLU A 81 -4.809 11.791 6.115 1.00 0.96 C ATOM 832 CG GLU A 81 -4.871 13.281 5.822 1.00 1.53 C ATOM 833 CD GLU A 81 -5.957 13.979 6.611 1.00 2.31 C ATOM 834 OE1 GLU A 81 -6.747 14.729 6.004 1.00 3.07 O ATOM 835 OE2 GLU A 81 -6.029 13.773 7.839 1.00 2.63 O ATOM 0 H GLU A 81 -5.075 9.317 6.362 1.00 0.78 H new ATOM 0 HA GLU A 81 -6.913 11.568 6.404 1.00 0.78 H new ATOM 0 HB2 GLU A 81 -4.522 11.647 7.157 1.00 0.96 H new ATOM 0 HB3 GLU A 81 -4.026 11.343 5.504 1.00 0.96 H new ATOM 0 HG2 GLU A 81 -3.908 13.735 6.055 1.00 1.53 H new ATOM 0 HG3 GLU A 81 -5.045 13.432 4.757 1.00 1.53 H new ATOM 842 N GLY A 82 -5.984 10.038 3.681 1.00 0.55 N ATOM 843 CA GLY A 82 -6.259 9.891 2.285 1.00 0.47 C ATOM 844 C GLY A 82 -7.732 9.674 2.024 1.00 0.46 C ATOM 845 O GLY A 82 -8.306 10.232 1.086 1.00 0.49 O ATOM 0 H GLY A 82 -5.401 9.300 4.077 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -5.922 10.780 1.752 1.00 0.47 H new ATOM 0 HA3 GLY A 82 -5.692 9.049 1.889 1.00 0.47 H new ATOM 849 N VAL A 83 -8.334 8.860 2.874 1.00 0.51 N ATOM 850 CA VAL A 83 -9.754 8.553 2.791 1.00 0.61 C ATOM 851 C VAL A 83 -10.583 9.787 3.121 1.00 0.70 C ATOM 852 O VAL A 83 -11.494 10.162 2.379 1.00 0.79 O ATOM 853 CB VAL A 83 -10.064 7.592 3.645 1.00 0.70 C ATOM 854 CG1 VAL A 83 -11.549 7.246 3.567 1.00 0.85 C ATOM 855 CG2 VAL A 83 -9.219 6.352 3.410 1.00 0.69 C ATOM 0 H VAL A 83 -7.853 8.392 3.642 1.00 0.51 H new ATOM 0 HA VAL A 83 -9.972 8.227 1.774 1.00 0.61 H new ATOM 0 HB VAL A 83 -9.850 7.964 4.647 1.00 0.70 H new ATOM 0 HG11 VAL A 83 -11.776 6.453 4.280 1.00 0.85 H new ATOM 0 HG12 VAL A 83 -12.141 8.129 3.806 1.00 0.85 H new ATOM 0 HG13 VAL A 83 -11.791 6.908 2.559 1.00 0.85 H new ATOM 0 HG21 VAL A 83 -9.498 5.580 4.128 1.00 0.69 H new ATOM 0 HG22 VAL A 83 -9.387 5.984 2.398 1.00 0.69 H new ATOM 0 HG23 VAL A 83 -8.165 6.601 3.536 1.00 0.69 H new ATOM 865 N ALA A 84 -10.214 10.452 4.205 1.00 0.76 N ATOM 866 CA ALA A 84 -11.009 11.544 4.733 1.00 0.94 C ATOM 867 C ALA A 84 -10.869 12.778 3.870 1.00 0.88 C ATOM 868 O ALA A 84 -11.807 13.565 3.737 1.00 1.07 O ATOM 869 CB ALA A 84 -10.619 11.839 6.171 1.00 1.12 C ATOM 0 H ALA A 84 -9.366 10.252 4.736 1.00 0.76 H new ATOM 0 HA ALA A 84 -12.057 11.244 4.719 1.00 0.94 H new ATOM 0 HB1 ALA A 84 -11.225 12.661 6.551 1.00 1.12 H new ATOM 0 HB2 ALA A 84 -10.786 10.952 6.782 1.00 1.12 H new ATOM 0 HB3 ALA A 84 -9.566 12.116 6.213 1.00 1.12 H new ATOM 875 N SER A 85 -9.702 12.942 3.278 1.00 0.76 N ATOM 876 CA SER A 85 -9.504 14.031 2.330 1.00 0.84 C ATOM 877 C SER A 85 -10.354 13.775 1.091 1.00 0.94 C ATOM 878 O SER A 85 -10.856 14.709 0.463 1.00 1.22 O ATOM 879 CB SER A 85 -8.029 14.188 1.955 1.00 1.19 C ATOM 880 OG SER A 85 -7.497 12.987 1.424 1.00 1.88 O ATOM 0 H SER A 85 -8.887 12.348 3.430 1.00 0.76 H new ATOM 0 HA SER A 85 -9.815 14.965 2.798 1.00 0.84 H new ATOM 0 HB2 SER A 85 -7.922 14.989 1.224 1.00 1.19 H new ATOM 0 HB3 SER A 85 -7.458 14.482 2.836 1.00 1.19 H new ATOM 0 HG SER A 85 -7.209 12.404 2.157 1.00 1.88 H new ATOM 886 N GLY A 86 -10.521 12.497 0.762 1.00 0.96 N ATOM 887 CA GLY A 86 -11.421 12.111 -0.303 1.00 1.46 C ATOM 888 C GLY A 86 -10.703 11.790 -1.587 1.00 1.21 C ATOM 889 O GLY A 86 -11.330 11.650 -2.639 1.00 1.66 O ATOM 0 H GLY A 86 -10.044 11.720 1.219 1.00 0.96 H new ATOM 0 HA2 GLY A 86 -11.998 11.242 0.012 1.00 1.46 H new ATOM 0 HA3 GLY A 86 -12.132 12.918 -0.482 1.00 1.46 H new ATOM 893 N ASN A 87 -9.390 11.645 -1.499 1.00 0.66 N ATOM 894 CA ASN A 87 -8.566 11.422 -2.677 1.00 0.67 C ATOM 895 C ASN A 87 -7.124 11.176 -2.270 1.00 0.52 C ATOM 896 O ASN A 87 -6.252 12.024 -2.436 1.00 0.72 O ATOM 897 CB ASN A 87 -8.677 12.582 -3.694 1.00 0.95 C ATOM 898 CG ASN A 87 -8.337 13.953 -3.125 1.00 1.40 C ATOM 899 OD1 ASN A 87 -7.190 14.397 -3.183 1.00 2.08 O ATOM 900 ND2 ASN A 87 -9.329 14.648 -2.589 1.00 1.72 N ATOM 0 H ASN A 87 -8.871 11.678 -0.622 1.00 0.66 H new ATOM 0 HA ASN A 87 -8.940 10.531 -3.182 1.00 0.67 H new ATOM 0 HB2 ASN A 87 -8.014 12.377 -4.535 1.00 0.95 H new ATOM 0 HB3 ASN A 87 -9.693 12.607 -4.088 1.00 0.95 H new ATOM 0 HD21 ASN A 87 -9.153 15.578 -2.210 1.00 1.72 H new ATOM 0 HD22 ASN A 87 -10.269 14.253 -2.556 1.00 1.72 H new ATOM 907 N LEU A 88 -6.906 10.022 -1.661 1.00 0.40 N ATOM 908 CA LEU A 88 -5.570 9.572 -1.310 1.00 0.32 C ATOM 909 C LEU A 88 -4.686 9.467 -2.537 1.00 0.30 C ATOM 910 O LEU A 88 -4.606 8.420 -3.163 1.00 0.34 O ATOM 911 CB LEU A 88 -5.630 8.215 -0.625 1.00 0.37 C ATOM 912 CG LEU A 88 -4.605 8.040 0.466 1.00 0.42 C ATOM 913 CD1 LEU A 88 -4.895 6.783 1.270 1.00 0.56 C ATOM 914 CD2 LEU A 88 -3.188 8.011 -0.088 1.00 0.48 C ATOM 0 H LEU A 88 -7.647 9.373 -1.397 1.00 0.40 H new ATOM 0 HA LEU A 88 -5.144 10.310 -0.630 1.00 0.32 H new ATOM 0 HB2 LEU A 88 -6.625 8.075 -0.202 1.00 0.37 H new ATOM 0 HB3 LEU A 88 -5.489 7.434 -1.372 1.00 0.37 H new ATOM 0 HG LEU A 88 -4.676 8.904 1.127 1.00 0.42 H new ATOM 0 HD11 LEU A 88 -4.146 6.671 2.054 1.00 0.56 H new ATOM 0 HD12 LEU A 88 -5.884 6.860 1.722 1.00 0.56 H new ATOM 0 HD13 LEU A 88 -4.864 5.915 0.612 1.00 0.56 H new ATOM 0 HD21 LEU A 88 -2.480 7.883 0.731 1.00 0.48 H new ATOM 0 HD22 LEU A 88 -3.088 7.181 -0.787 1.00 0.48 H new ATOM 0 HD23 LEU A 88 -2.980 8.948 -0.605 1.00 0.48 H new ATOM 926 N ASN A 89 -4.043 10.559 -2.876 1.00 0.32 N ATOM 927 CA ASN A 89 -3.149 10.589 -4.012 1.00 0.34 C ATOM 928 C ASN A 89 -1.954 11.477 -3.697 1.00 0.40 C ATOM 929 O ASN A 89 -2.064 12.704 -3.710 1.00 0.50 O ATOM 930 CB ASN A 89 -3.906 11.077 -5.258 1.00 0.41 C ATOM 931 CG ASN A 89 -3.001 11.322 -6.454 1.00 1.12 C ATOM 932 OD1 ASN A 89 -2.740 10.416 -7.241 1.00 2.01 O ATOM 933 ND2 ASN A 89 -2.528 12.552 -6.609 1.00 1.62 N ATOM 0 H ASN A 89 -4.123 11.446 -2.378 1.00 0.32 H new ATOM 0 HA ASN A 89 -2.778 9.585 -4.220 1.00 0.34 H new ATOM 0 HB2 ASN A 89 -4.661 10.339 -5.528 1.00 0.41 H new ATOM 0 HB3 ASN A 89 -4.434 11.999 -5.016 1.00 0.41 H new ATOM 0 HD21 ASN A 89 -1.926 12.771 -7.403 1.00 1.62 H new ATOM 0 HD22 ASN A 89 -2.767 13.279 -5.934 1.00 1.62 H new ATOM 940 N THR A 90 -0.826 10.859 -3.366 1.00 0.39 N ATOM 941 CA THR A 90 0.369 11.596 -3.047 1.00 0.50 C ATOM 942 C THR A 90 1.597 10.778 -3.406 1.00 0.55 C ATOM 943 O THR A 90 1.523 9.552 -3.552 1.00 0.69 O ATOM 944 CB THR A 90 0.397 11.944 -1.762 1.00 0.68 C ATOM 945 OG1 THR A 90 1.523 12.794 -1.493 1.00 1.67 O ATOM 946 CG2 THR A 90 0.436 10.731 -0.836 1.00 1.22 C ATOM 0 H THR A 90 -0.724 9.845 -3.314 1.00 0.39 H new ATOM 0 HA THR A 90 0.369 12.513 -3.636 1.00 0.50 H new ATOM 0 HB THR A 90 -0.526 12.487 -1.562 1.00 0.68 H new ATOM 0 HG1 THR A 90 1.527 13.041 -0.545 1.00 1.67 H new ATOM 0 HG21 THR A 90 0.458 11.066 0.201 1.00 1.22 H new ATOM 0 HG22 THR A 90 -0.450 10.119 -1.001 1.00 1.22 H new ATOM 0 HG23 THR A 90 1.328 10.141 -1.046 1.00 1.22 H new ATOM 954 N MET A 91 2.694 11.470 -3.637 1.00 0.72 N ATOM 955 CA MET A 91 3.964 10.824 -3.887 1.00 1.00 C ATOM 956 C MET A 91 5.055 11.497 -3.081 1.00 0.88 C ATOM 957 O MET A 91 5.344 12.679 -3.262 1.00 0.92 O ATOM 958 CB MET A 91 4.317 10.837 -5.375 1.00 1.53 C ATOM 959 CG MET A 91 4.191 12.204 -6.029 1.00 2.33 C ATOM 960 SD MET A 91 4.589 12.176 -7.786 1.00 3.24 S ATOM 961 CE MET A 91 4.311 13.895 -8.209 1.00 3.94 C ATOM 0 H MET A 91 2.730 12.489 -3.657 1.00 0.72 H new ATOM 0 HA MET A 91 3.879 9.783 -3.577 1.00 1.00 H new ATOM 0 HB2 MET A 91 5.339 10.479 -5.498 1.00 1.53 H new ATOM 0 HB3 MET A 91 3.668 10.134 -5.898 1.00 1.53 H new ATOM 0 HG2 MET A 91 3.174 12.572 -5.897 1.00 2.33 H new ATOM 0 HG3 MET A 91 4.853 12.907 -5.522 1.00 2.33 H new ATOM 0 HE1 MET A 91 4.515 14.046 -9.269 1.00 3.94 H new ATOM 0 HE2 MET A 91 3.275 14.159 -7.997 1.00 3.94 H new ATOM 0 HE3 MET A 91 4.974 14.527 -7.618 1.00 3.94 H new ATOM 971 N PHE A 92 5.638 10.741 -2.179 1.00 0.98 N ATOM 972 CA PHE A 92 6.733 11.230 -1.372 1.00 1.01 C ATOM 973 C PHE A 92 7.732 10.113 -1.156 1.00 0.90 C ATOM 974 O PHE A 92 7.350 8.965 -0.923 1.00 0.85 O ATOM 975 CB PHE A 92 6.227 11.775 -0.025 1.00 1.24 C ATOM 976 CG PHE A 92 5.502 10.768 0.834 1.00 1.49 C ATOM 977 CD1 PHE A 92 4.165 10.476 0.607 1.00 1.94 C ATOM 978 CD2 PHE A 92 6.163 10.111 1.861 1.00 1.58 C ATOM 979 CE1 PHE A 92 3.503 9.549 1.391 1.00 2.47 C ATOM 980 CE2 PHE A 92 5.504 9.185 2.647 1.00 2.01 C ATOM 981 CZ PHE A 92 4.162 8.921 2.421 1.00 2.46 C ATOM 0 H PHE A 92 5.369 9.776 -1.985 1.00 0.98 H new ATOM 0 HA PHE A 92 7.219 12.053 -1.896 1.00 1.01 H new ATOM 0 HB2 PHE A 92 7.077 12.164 0.535 1.00 1.24 H new ATOM 0 HB3 PHE A 92 5.560 12.615 -0.217 1.00 1.24 H new ATOM 0 HD1 PHE A 92 3.636 10.978 -0.190 1.00 1.94 H new ATOM 0 HD2 PHE A 92 7.205 10.326 2.049 1.00 1.58 H new ATOM 0 HE1 PHE A 92 2.467 9.318 1.194 1.00 2.47 H new ATOM 0 HE2 PHE A 92 6.033 8.669 3.435 1.00 2.01 H new ATOM 0 HZ PHE A 92 3.635 8.222 3.054 1.00 2.46 H new ATOM 991 N GLU A 93 9.003 10.429 -1.271 1.00 0.98 N ATOM 992 CA GLU A 93 10.027 9.439 -1.030 1.00 0.97 C ATOM 993 C GLU A 93 10.612 9.608 0.358 1.00 1.21 C ATOM 994 O GLU A 93 11.184 10.657 0.689 1.00 1.50 O ATOM 995 CB GLU A 93 11.126 9.481 -2.095 1.00 1.18 C ATOM 996 CG GLU A 93 11.731 10.850 -2.330 1.00 1.33 C ATOM 997 CD GLU A 93 13.025 10.762 -3.109 1.00 1.57 C ATOM 998 OE1 GLU A 93 12.983 10.379 -4.295 1.00 1.97 O ATOM 999 OE2 GLU A 93 14.088 11.113 -2.553 1.00 1.92 O ATOM 0 H GLU A 93 9.349 11.354 -1.527 1.00 0.98 H new ATOM 0 HA GLU A 93 9.557 8.458 -1.093 1.00 0.97 H new ATOM 0 HB2 GLU A 93 11.920 8.793 -1.805 1.00 1.18 H new ATOM 0 HB3 GLU A 93 10.715 9.115 -3.036 1.00 1.18 H new ATOM 0 HG2 GLU A 93 11.021 11.474 -2.873 1.00 1.33 H new ATOM 0 HG3 GLU A 93 11.915 11.336 -1.372 1.00 1.33 H new ATOM 1006 N TYR A 94 10.458 8.575 1.170 1.00 1.23 N ATOM 1007 CA TYR A 94 10.980 8.585 2.518 1.00 1.60 C ATOM 1008 C TYR A 94 12.169 7.645 2.589 1.00 1.67 C ATOM 1009 O TYR A 94 12.014 6.427 2.619 1.00 1.62 O ATOM 1010 CB TYR A 94 9.896 8.166 3.516 1.00 1.88 C ATOM 1011 CG TYR A 94 10.332 8.247 4.963 1.00 2.23 C ATOM 1012 CD1 TYR A 94 10.705 7.106 5.663 1.00 2.63 C ATOM 1013 CD2 TYR A 94 10.373 9.467 5.628 1.00 2.62 C ATOM 1014 CE1 TYR A 94 11.106 7.177 6.984 1.00 3.18 C ATOM 1015 CE2 TYR A 94 10.773 9.546 6.948 1.00 3.33 C ATOM 1016 CZ TYR A 94 11.138 8.399 7.622 1.00 3.51 C ATOM 1017 OH TYR A 94 11.536 8.477 8.939 1.00 4.29 O ATOM 0 H TYR A 94 9.972 7.716 0.913 1.00 1.23 H new ATOM 0 HA TYR A 94 11.300 9.594 2.780 1.00 1.60 H new ATOM 0 HB2 TYR A 94 9.021 8.800 3.374 1.00 1.88 H new ATOM 0 HB3 TYR A 94 9.588 7.144 3.296 1.00 1.88 H new ATOM 0 HD1 TYR A 94 10.681 6.147 5.166 1.00 2.63 H new ATOM 0 HD2 TYR A 94 10.088 10.367 5.104 1.00 2.62 H new ATOM 0 HE1 TYR A 94 11.393 6.280 7.513 1.00 3.18 H new ATOM 0 HE2 TYR A 94 10.800 10.502 7.450 1.00 3.33 H new ATOM 0 HH TYR A 94 11.503 9.410 9.236 1.00 4.29 H new ATOM 1170 N LYS A 104 16.130 4.323 -0.027 1.00 1.52 N ATOM 1171 CA LYS A 104 15.053 5.248 -0.315 1.00 1.37 C ATOM 1172 C LYS A 104 13.858 4.539 -0.929 1.00 1.18 C ATOM 1173 O LYS A 104 13.996 3.810 -1.918 1.00 1.26 O ATOM 1174 CB LYS A 104 15.550 6.358 -1.247 1.00 1.53 C ATOM 1175 CG LYS A 104 14.479 7.369 -1.635 1.00 1.64 C ATOM 1176 CD LYS A 104 14.016 7.179 -3.075 1.00 2.24 C ATOM 1177 CE LYS A 104 15.106 7.548 -4.072 1.00 2.60 C ATOM 1178 NZ LYS A 104 15.430 9.000 -4.035 1.00 3.12 N ATOM 0 HA LYS A 104 14.727 5.689 0.627 1.00 1.37 H new ATOM 0 HB2 LYS A 104 16.372 6.884 -0.762 1.00 1.53 H new ATOM 0 HB3 LYS A 104 15.952 5.904 -2.153 1.00 1.53 H new ATOM 0 HG2 LYS A 104 13.626 7.271 -0.963 1.00 1.64 H new ATOM 0 HG3 LYS A 104 14.870 8.379 -1.509 1.00 1.64 H new ATOM 0 HD2 LYS A 104 13.720 6.141 -3.228 1.00 2.24 H new ATOM 0 HD3 LYS A 104 13.134 7.793 -3.257 1.00 2.24 H new ATOM 0 HE2 LYS A 104 16.005 6.971 -3.856 1.00 2.60 H new ATOM 0 HE3 LYS A 104 14.785 7.274 -5.077 1.00 2.60 H new ATOM 0 HZ1 LYS A 104 16.294 9.177 -4.586 1.00 3.12 H new ATOM 0 HZ2 LYS A 104 14.642 9.542 -4.443 1.00 3.12 H new ATOM 0 HZ3 LYS A 104 15.580 9.297 -3.050 1.00 3.12 H new ATOM 1192 N VAL A 105 12.692 4.744 -0.326 1.00 1.04 N ATOM 1193 CA VAL A 105 11.451 4.299 -0.914 1.00 0.90 C ATOM 1194 C VAL A 105 10.641 5.492 -1.369 1.00 0.72 C ATOM 1195 O VAL A 105 10.879 6.616 -0.935 1.00 0.75 O ATOM 1196 CB VAL A 105 10.720 3.547 -0.102 1.00 1.00 C ATOM 1197 CG1 VAL A 105 11.456 2.262 0.249 1.00 1.23 C ATOM 1198 CG2 VAL A 105 10.316 4.292 1.161 1.00 1.11 C ATOM 0 H VAL A 105 12.589 5.217 0.572 1.00 1.04 H new ATOM 0 HA VAL A 105 11.720 3.672 -1.764 1.00 0.90 H new ATOM 0 HB VAL A 105 9.804 3.294 -0.636 1.00 1.00 H new ATOM 0 HG11 VAL A 105 10.839 1.660 0.916 1.00 1.23 H new ATOM 0 HG12 VAL A 105 11.661 1.700 -0.662 1.00 1.23 H new ATOM 0 HG13 VAL A 105 12.396 2.505 0.745 1.00 1.23 H new ATOM 0 HG21 VAL A 105 9.719 3.636 1.795 1.00 1.11 H new ATOM 0 HG22 VAL A 105 11.210 4.604 1.701 1.00 1.11 H new ATOM 0 HG23 VAL A 105 9.729 5.171 0.893 1.00 1.11 H new ATOM 1208 N LYS A 106 9.731 5.253 -2.282 1.00 0.64 N ATOM 1209 CA LYS A 106 8.885 6.307 -2.806 1.00 0.59 C ATOM 1210 C LYS A 106 7.440 5.843 -2.806 1.00 0.53 C ATOM 1211 O LYS A 106 7.102 4.857 -3.463 1.00 0.68 O ATOM 1212 CB LYS A 106 9.333 6.693 -4.219 1.00 0.79 C ATOM 1213 CG LYS A 106 8.619 7.909 -4.792 1.00 1.39 C ATOM 1214 CD LYS A 106 9.087 8.210 -6.209 1.00 1.61 C ATOM 1215 CE LYS A 106 10.561 8.588 -6.251 1.00 2.08 C ATOM 1216 NZ LYS A 106 10.800 9.955 -5.715 1.00 2.36 N ATOM 0 H LYS A 106 9.554 4.332 -2.682 1.00 0.64 H new ATOM 0 HA LYS A 106 8.971 7.189 -2.172 1.00 0.59 H new ATOM 0 HB2 LYS A 106 10.405 6.888 -4.207 1.00 0.79 H new ATOM 0 HB3 LYS A 106 9.171 5.844 -4.884 1.00 0.79 H new ATOM 0 HG2 LYS A 106 7.543 7.735 -4.792 1.00 1.39 H new ATOM 0 HG3 LYS A 106 8.802 8.774 -4.155 1.00 1.39 H new ATOM 0 HD2 LYS A 106 8.918 7.338 -6.840 1.00 1.61 H new ATOM 0 HD3 LYS A 106 8.491 9.024 -6.623 1.00 1.61 H new ATOM 0 HE2 LYS A 106 11.137 7.866 -5.673 1.00 2.08 H new ATOM 0 HE3 LYS A 106 10.920 8.533 -7.279 1.00 2.08 H new ATOM 0 HZ1 LYS A 106 11.167 10.566 -6.472 1.00 2.36 H new ATOM 0 HZ2 LYS A 106 9.907 10.348 -5.356 1.00 2.36 H new ATOM 0 HZ3 LYS A 106 11.493 9.908 -4.941 1.00 2.36 H new ATOM 1230 N VAL A 107 6.596 6.542 -2.062 1.00 0.47 N ATOM 1231 CA VAL A 107 5.208 6.144 -1.915 1.00 0.49 C ATOM 1232 C VAL A 107 4.345 6.894 -2.896 1.00 0.45 C ATOM 1233 O VAL A 107 4.066 8.075 -2.698 1.00 0.74 O ATOM 1234 CB VAL A 107 4.725 6.403 -0.708 1.00 0.60 C ATOM 1235 CG1 VAL A 107 3.518 5.519 -0.428 1.00 0.99 C ATOM 1236 CG2 VAL A 107 5.776 6.253 0.386 1.00 1.11 C ATOM 0 H VAL A 107 6.850 7.388 -1.551 1.00 0.47 H new ATOM 0 HA VAL A 107 5.187 5.068 -2.091 1.00 0.49 H new ATOM 0 HB VAL A 107 4.414 7.447 -0.697 1.00 0.60 H new ATOM 0 HG11 VAL A 107 3.128 5.739 0.566 1.00 0.99 H new ATOM 0 HG12 VAL A 107 2.745 5.712 -1.172 1.00 0.99 H new ATOM 0 HG13 VAL A 107 3.815 4.471 -0.477 1.00 0.99 H new ATOM 0 HG21 VAL A 107 5.328 6.476 1.354 1.00 1.11 H new ATOM 0 HG22 VAL A 107 6.155 5.231 0.389 1.00 1.11 H new ATOM 0 HG23 VAL A 107 6.598 6.944 0.198 1.00 1.11 H new ATOM 1246 N HIS A 108 3.913 6.229 -3.942 1.00 0.30 N ATOM 1247 CA HIS A 108 2.920 6.820 -4.796 1.00 0.31 C ATOM 1248 C HIS A 108 1.613 6.103 -4.548 1.00 0.28 C ATOM 1249 O HIS A 108 1.390 5.000 -5.027 1.00 0.31 O ATOM 1250 CB HIS A 108 3.333 6.725 -6.270 1.00 0.43 C ATOM 1251 CG HIS A 108 2.544 7.629 -7.168 1.00 0.56 C ATOM 1252 ND1 HIS A 108 3.098 8.319 -8.224 1.00 0.94 N ATOM 1253 CD2 HIS A 108 1.230 7.939 -7.171 1.00 0.71 C ATOM 1254 CE1 HIS A 108 2.156 9.009 -8.840 1.00 1.01 C ATOM 1255 NE2 HIS A 108 1.011 8.794 -8.222 1.00 0.80 N ATOM 0 H HIS A 108 4.228 5.298 -4.215 1.00 0.30 H new ATOM 0 HA HIS A 108 2.813 7.881 -4.569 1.00 0.31 H new ATOM 0 HB2 HIS A 108 4.391 6.969 -6.360 1.00 0.43 H new ATOM 0 HB3 HIS A 108 3.214 5.695 -6.608 1.00 0.43 H new ATOM 0 HD2 HIS A 108 0.487 7.580 -6.474 1.00 0.71 H new ATOM 0 HE1 HIS A 108 2.299 9.642 -9.703 1.00 1.01 H new ATOM 0 HE2 HIS A 108 0.111 9.197 -8.482 1.00 0.80 H new ATOM 1264 N MET A 109 0.752 6.741 -3.796 1.00 0.31 N ATOM 1265 CA MET A 109 -0.560 6.200 -3.526 1.00 0.33 C ATOM 1266 C MET A 109 -1.557 7.051 -4.250 1.00 0.37 C ATOM 1267 O MET A 109 -1.413 8.270 -4.274 1.00 0.55 O ATOM 1268 CB MET A 109 -0.864 6.180 -2.026 1.00 0.43 C ATOM 1269 CG MET A 109 0.005 5.218 -1.229 1.00 0.77 C ATOM 1270 SD MET A 109 -0.515 5.068 0.493 1.00 1.28 S ATOM 1271 CE MET A 109 -2.133 4.327 0.293 1.00 2.22 C ATOM 0 H MET A 109 0.936 7.643 -3.356 1.00 0.31 H new ATOM 0 HA MET A 109 -0.609 5.167 -3.870 1.00 0.33 H new ATOM 0 HB2 MET A 109 -0.735 7.186 -1.626 1.00 0.43 H new ATOM 0 HB3 MET A 109 -1.911 5.912 -1.882 1.00 0.43 H new ATOM 0 HG2 MET A 109 -0.024 4.235 -1.699 1.00 0.77 H new ATOM 0 HG3 MET A 109 1.040 5.558 -1.263 1.00 0.77 H new ATOM 0 HE1 MET A 109 -2.901 5.048 0.575 1.00 2.22 H new ATOM 0 HE2 MET A 109 -2.274 4.035 -0.748 1.00 2.22 H new ATOM 0 HE3 MET A 109 -2.211 3.446 0.930 1.00 2.22 H new ATOM 1281 N LYS A 110 -2.538 6.437 -4.864 1.00 0.27 N ATOM 1282 CA LYS A 110 -3.470 7.192 -5.658 1.00 0.30 C ATOM 1283 C LYS A 110 -4.852 6.610 -5.538 1.00 0.24 C ATOM 1284 O LYS A 110 -5.030 5.396 -5.587 1.00 0.24 O ATOM 1285 CB LYS A 110 -3.034 7.231 -7.127 1.00 0.43 C ATOM 1286 CG LYS A 110 -2.964 5.867 -7.792 1.00 0.64 C ATOM 1287 CD LYS A 110 -2.659 5.988 -9.277 1.00 0.78 C ATOM 1288 CE LYS A 110 -3.715 6.809 -10.000 1.00 1.38 C ATOM 1289 NZ LYS A 110 -5.070 6.211 -9.883 1.00 1.73 N ATOM 0 H LYS A 110 -2.709 5.432 -4.830 1.00 0.27 H new ATOM 0 HA LYS A 110 -3.486 8.215 -5.281 1.00 0.30 H new ATOM 0 HB2 LYS A 110 -3.729 7.859 -7.684 1.00 0.43 H new ATOM 0 HB3 LYS A 110 -2.054 7.705 -7.191 1.00 0.43 H new ATOM 0 HG2 LYS A 110 -2.195 5.264 -7.309 1.00 0.64 H new ATOM 0 HG3 LYS A 110 -3.911 5.345 -7.655 1.00 0.64 H new ATOM 0 HD2 LYS A 110 -1.682 6.451 -9.412 1.00 0.78 H new ATOM 0 HD3 LYS A 110 -2.604 4.994 -9.720 1.00 0.78 H new ATOM 0 HE2 LYS A 110 -3.729 7.819 -9.591 1.00 1.38 H new ATOM 0 HE3 LYS A 110 -3.448 6.895 -11.053 1.00 1.38 H new ATOM 0 HZ1 LYS A 110 -5.599 6.375 -10.763 1.00 1.73 H new ATOM 0 HZ2 LYS A 110 -4.985 5.188 -9.716 1.00 1.73 H new ATOM 0 HZ3 LYS A 110 -5.576 6.651 -9.088 1.00 1.73 H new ATOM 1303 N LYS A 111 -5.819 7.479 -5.363 1.00 0.23 N ATOM 1304 CA LYS A 111 -7.188 7.084 -5.383 1.00 0.22 C ATOM 1305 C LYS A 111 -7.520 6.370 -6.687 1.00 0.22 C ATOM 1306 O LYS A 111 -7.392 6.923 -7.781 1.00 0.29 O ATOM 1307 CB LYS A 111 -8.009 8.339 -5.192 1.00 0.28 C ATOM 1308 CG LYS A 111 -9.508 8.161 -5.360 1.00 0.35 C ATOM 1309 CD LYS A 111 -10.248 9.423 -4.955 1.00 0.53 C ATOM 1310 CE LYS A 111 -11.704 9.398 -5.396 1.00 0.91 C ATOM 1311 NZ LYS A 111 -11.841 9.585 -6.864 1.00 1.78 N ATOM 0 H LYS A 111 -5.669 8.475 -5.204 1.00 0.23 H new ATOM 0 HA LYS A 111 -7.410 6.374 -4.587 1.00 0.22 H new ATOM 0 HB2 LYS A 111 -7.815 8.733 -4.194 1.00 0.28 H new ATOM 0 HB3 LYS A 111 -7.666 9.090 -5.903 1.00 0.28 H new ATOM 0 HG2 LYS A 111 -9.736 7.917 -6.398 1.00 0.35 H new ATOM 0 HG3 LYS A 111 -9.850 7.323 -4.753 1.00 0.35 H new ATOM 0 HD2 LYS A 111 -10.199 9.540 -3.872 1.00 0.53 H new ATOM 0 HD3 LYS A 111 -9.752 10.290 -5.392 1.00 0.53 H new ATOM 0 HE2 LYS A 111 -12.155 8.448 -5.107 1.00 0.91 H new ATOM 0 HE3 LYS A 111 -12.254 10.183 -4.877 1.00 0.91 H new ATOM 0 HZ1 LYS A 111 -12.842 9.731 -7.103 1.00 1.78 H new ATOM 0 HZ2 LYS A 111 -11.289 10.415 -7.161 1.00 1.78 H new ATOM 0 HZ3 LYS A 111 -11.487 8.740 -7.356 1.00 1.78 H new ATOM 1325 N ALA A 112 -7.879 5.104 -6.536 1.00 0.22 N ATOM 1326 CA ALA A 112 -8.199 4.230 -7.648 1.00 0.26 C ATOM 1327 C ALA A 112 -9.342 4.800 -8.467 1.00 0.38 C ATOM 1328 O ALA A 112 -10.186 5.520 -7.940 1.00 0.45 O ATOM 1329 CB ALA A 112 -8.544 2.837 -7.153 1.00 0.33 C ATOM 0 H ALA A 112 -7.956 4.652 -5.625 1.00 0.22 H new ATOM 0 HA ALA A 112 -7.320 4.160 -8.288 1.00 0.26 H new ATOM 0 HB1 ALA A 112 -8.781 2.197 -8.003 1.00 0.33 H new ATOM 0 HB2 ALA A 112 -7.693 2.422 -6.612 1.00 0.33 H new ATOM 0 HB3 ALA A 112 -9.406 2.890 -6.488 1.00 0.33 H new ATOM 1335 N LEU A 113 -9.354 4.498 -9.756 1.00 0.47 N ATOM 1336 CA LEU A 113 -10.379 5.013 -10.661 1.00 0.64 C ATOM 1337 C LEU A 113 -11.774 4.520 -10.259 1.00 0.76 C ATOM 1338 O LEU A 113 -12.786 5.043 -10.726 1.00 0.96 O ATOM 1339 CB LEU A 113 -10.073 4.606 -12.108 1.00 0.76 C ATOM 1340 CG LEU A 113 -8.938 5.378 -12.802 1.00 1.55 C ATOM 1341 CD1 LEU A 113 -7.599 5.134 -12.125 1.00 2.27 C ATOM 1342 CD2 LEU A 113 -8.864 4.990 -14.268 1.00 2.39 C ATOM 0 H LEU A 113 -8.663 3.896 -10.204 1.00 0.47 H new ATOM 0 HA LEU A 113 -10.369 6.101 -10.590 1.00 0.64 H new ATOM 0 HB2 LEU A 113 -9.824 3.545 -12.121 1.00 0.76 H new ATOM 0 HB3 LEU A 113 -10.981 4.727 -12.698 1.00 0.76 H new ATOM 0 HG LEU A 113 -9.160 6.442 -12.722 1.00 1.55 H new ATOM 0 HD11 LEU A 113 -6.822 5.696 -12.643 1.00 2.27 H new ATOM 0 HD12 LEU A 113 -7.652 5.460 -11.086 1.00 2.27 H new ATOM 0 HD13 LEU A 113 -7.362 4.071 -12.159 1.00 2.27 H new ATOM 0 HD21 LEU A 113 -8.057 5.542 -14.750 1.00 2.39 H new ATOM 0 HD22 LEU A 113 -8.672 3.920 -14.352 1.00 2.39 H new ATOM 0 HD23 LEU A 113 -9.809 5.229 -14.756 1.00 2.39 H new ATOM 1354 N SER A 114 -11.818 3.512 -9.394 1.00 0.73 N ATOM 1355 CA SER A 114 -13.073 3.035 -8.829 1.00 0.92 C ATOM 1356 C SER A 114 -13.571 4.001 -7.745 1.00 0.93 C ATOM 1357 O SER A 114 -14.767 4.075 -7.461 1.00 1.27 O ATOM 1358 CB SER A 114 -12.881 1.631 -8.242 1.00 1.04 C ATOM 1359 OG SER A 114 -14.105 1.082 -7.789 1.00 1.66 O ATOM 0 H SER A 114 -10.993 3.008 -9.068 1.00 0.73 H new ATOM 0 HA SER A 114 -13.821 2.988 -9.621 1.00 0.92 H new ATOM 0 HB2 SER A 114 -12.446 0.977 -8.998 1.00 1.04 H new ATOM 0 HB3 SER A 114 -12.174 1.676 -7.414 1.00 1.04 H new ATOM 0 HG SER A 114 -14.019 0.823 -6.848 1.00 1.66 H new ATOM 1365 N GLY A 115 -12.642 4.745 -7.149 1.00 0.71 N ATOM 1366 CA GLY A 115 -12.989 5.683 -6.093 1.00 0.79 C ATOM 1367 C GLY A 115 -12.969 5.041 -4.718 1.00 0.78 C ATOM 1368 O GLY A 115 -12.423 5.598 -3.767 1.00 1.52 O ATOM 0 H GLY A 115 -11.649 4.715 -7.380 1.00 0.71 H new ATOM 0 HA2 GLY A 115 -12.291 6.520 -6.110 1.00 0.79 H new ATOM 0 HA3 GLY A 115 -13.981 6.092 -6.286 1.00 0.79 H new ATOM 1372 N ASP A 116 -13.547 3.853 -4.629 1.00 0.72 N ATOM 1373 CA ASP A 116 -13.677 3.124 -3.364 1.00 0.85 C ATOM 1374 C ASP A 116 -12.439 2.282 -3.069 1.00 0.80 C ATOM 1375 O ASP A 116 -12.513 1.228 -2.431 1.00 1.40 O ATOM 1376 CB ASP A 116 -14.924 2.236 -3.417 1.00 1.25 C ATOM 1377 CG ASP A 116 -15.055 1.494 -4.737 1.00 2.10 C ATOM 1378 OD1 ASP A 116 -14.177 0.660 -5.043 1.00 2.63 O ATOM 1379 OD2 ASP A 116 -16.052 1.712 -5.459 1.00 2.79 O ATOM 0 H ASP A 116 -13.942 3.361 -5.430 1.00 0.72 H new ATOM 0 HA ASP A 116 -13.775 3.850 -2.557 1.00 0.85 H new ATOM 0 HB2 ASP A 116 -14.887 1.515 -2.601 1.00 1.25 H new ATOM 0 HB3 ASP A 116 -15.810 2.850 -3.260 1.00 1.25 H new ATOM 1384 N SER A 117 -11.300 2.800 -3.476 1.00 0.42 N ATOM 1385 CA SER A 117 -10.032 2.093 -3.373 1.00 0.29 C ATOM 1386 C SER A 117 -8.871 3.032 -3.691 1.00 0.22 C ATOM 1387 O SER A 117 -9.066 4.080 -4.309 1.00 0.25 O ATOM 1388 CB SER A 117 -10.039 0.882 -4.304 1.00 0.34 C ATOM 1389 OG SER A 117 -10.738 1.156 -5.509 1.00 0.44 O ATOM 0 H SER A 117 -11.222 3.729 -3.891 1.00 0.42 H new ATOM 0 HA SER A 117 -9.899 1.739 -2.351 1.00 0.29 H new ATOM 0 HB2 SER A 117 -9.014 0.593 -4.535 1.00 0.34 H new ATOM 0 HB3 SER A 117 -10.502 0.035 -3.798 1.00 0.34 H new ATOM 0 HG SER A 117 -10.723 0.362 -6.084 1.00 0.44 H new ATOM 1395 N TYR A 118 -7.677 2.672 -3.241 1.00 0.19 N ATOM 1396 CA TYR A 118 -6.476 3.480 -3.479 1.00 0.19 C ATOM 1397 C TYR A 118 -5.275 2.575 -3.763 1.00 0.20 C ATOM 1398 O TYR A 118 -5.164 1.486 -3.205 1.00 0.25 O ATOM 1399 CB TYR A 118 -6.167 4.376 -2.270 1.00 0.22 C ATOM 1400 CG TYR A 118 -7.345 5.148 -1.739 1.00 0.23 C ATOM 1401 CD1 TYR A 118 -8.071 4.671 -0.668 1.00 0.30 C ATOM 1402 CD2 TYR A 118 -7.715 6.354 -2.303 1.00 0.25 C ATOM 1403 CE1 TYR A 118 -9.147 5.375 -0.164 1.00 0.35 C ATOM 1404 CE2 TYR A 118 -8.789 7.071 -1.812 1.00 0.30 C ATOM 1405 CZ TYR A 118 -9.505 6.577 -0.742 1.00 0.34 C ATOM 1406 OH TYR A 118 -10.573 7.288 -0.245 1.00 0.42 O ATOM 0 H TYR A 118 -7.508 1.821 -2.705 1.00 0.19 H new ATOM 0 HA TYR A 118 -6.666 4.114 -4.345 1.00 0.19 H new ATOM 0 HB2 TYR A 118 -5.766 3.755 -1.469 1.00 0.22 H new ATOM 0 HB3 TYR A 118 -5.384 5.081 -2.549 1.00 0.22 H new ATOM 0 HD1 TYR A 118 -7.793 3.731 -0.215 1.00 0.30 H new ATOM 0 HD2 TYR A 118 -7.156 6.742 -3.141 1.00 0.25 H new ATOM 0 HE1 TYR A 118 -9.705 4.988 0.676 1.00 0.35 H new ATOM 0 HE2 TYR A 118 -9.066 8.012 -2.263 1.00 0.30 H new ATOM 0 HH TYR A 118 -10.689 8.110 -0.765 1.00 0.42 H new ATOM 1416 N TRP A 119 -4.380 3.017 -4.631 1.00 0.20 N ATOM 1417 CA TRP A 119 -3.226 2.223 -4.999 1.00 0.22 C ATOM 1418 C TRP A 119 -2.022 2.549 -4.143 1.00 0.25 C ATOM 1419 O TRP A 119 -1.977 3.571 -3.462 1.00 0.27 O ATOM 1420 CB TRP A 119 -2.848 2.490 -6.441 1.00 0.25 C ATOM 1421 CG TRP A 119 -3.833 2.009 -7.442 1.00 0.26 C ATOM 1422 CD1 TRP A 119 -5.090 2.482 -7.654 1.00 0.27 C ATOM 1423 CD2 TRP A 119 -3.613 0.979 -8.397 1.00 0.30 C ATOM 1424 NE1 TRP A 119 -5.678 1.787 -8.689 1.00 0.32 N ATOM 1425 CE2 TRP A 119 -4.785 0.856 -9.159 1.00 0.33 C ATOM 1426 CE3 TRP A 119 -2.538 0.144 -8.672 1.00 0.34 C ATOM 1427 CZ2 TRP A 119 -4.906 -0.071 -10.188 1.00 0.40 C ATOM 1428 CZ3 TRP A 119 -2.651 -0.770 -9.684 1.00 0.40 C ATOM 1429 CH2 TRP A 119 -3.827 -0.878 -10.438 1.00 0.42 C ATOM 0 H TRP A 119 -4.433 3.925 -5.094 1.00 0.20 H new ATOM 0 HA TRP A 119 -3.502 1.179 -4.852 1.00 0.22 H new ATOM 0 HB2 TRP A 119 -2.711 3.563 -6.573 1.00 0.25 H new ATOM 0 HB3 TRP A 119 -1.886 2.019 -6.643 1.00 0.25 H new ATOM 0 HD1 TRP A 119 -5.557 3.281 -7.096 1.00 0.27 H new ATOM 0 HE1 TRP A 119 -6.621 1.939 -9.047 1.00 0.32 H new ATOM 0 HE3 TRP A 119 -1.627 0.215 -8.096 1.00 0.34 H new ATOM 0 HZ2 TRP A 119 -5.814 -0.152 -10.767 1.00 0.40 H new ATOM 0 HZ3 TRP A 119 -1.818 -1.421 -9.906 1.00 0.40 H new ATOM 0 HH2 TRP A 119 -3.884 -1.610 -11.230 1.00 0.42 H new ATOM 1440 N VAL A 120 -1.043 1.668 -4.223 1.00 0.28 N ATOM 1441 CA VAL A 120 0.247 1.838 -3.571 1.00 0.32 C ATOM 1442 C VAL A 120 1.362 1.447 -4.545 1.00 0.34 C ATOM 1443 O VAL A 120 1.579 0.263 -4.807 1.00 0.43 O ATOM 1444 CB VAL A 120 0.350 1.075 -2.485 1.00 0.38 C ATOM 1445 CG1 VAL A 120 1.710 1.266 -1.815 1.00 0.56 C ATOM 1446 CG2 VAL A 120 -0.768 1.342 -1.488 1.00 0.62 C ATOM 0 H VAL A 120 -1.120 0.799 -4.751 1.00 0.28 H new ATOM 0 HA VAL A 120 0.336 2.883 -3.274 1.00 0.32 H new ATOM 0 HB VAL A 120 0.258 0.040 -2.814 1.00 0.38 H new ATOM 0 HG11 VAL A 120 1.772 0.633 -0.930 1.00 0.56 H new ATOM 0 HG12 VAL A 120 2.501 0.992 -2.513 1.00 0.56 H new ATOM 0 HG13 VAL A 120 1.829 2.310 -1.524 1.00 0.56 H new ATOM 0 HG21 VAL A 120 -0.642 0.697 -0.619 1.00 0.62 H new ATOM 0 HG22 VAL A 120 -0.734 2.385 -1.174 1.00 0.62 H new ATOM 0 HG23 VAL A 120 -1.730 1.136 -1.957 1.00 0.62 H new ATOM 1456 N PHE A 121 2.052 2.435 -5.096 1.00 0.34 N ATOM 1457 CA PHE A 121 3.202 2.175 -5.944 1.00 0.42 C ATOM 1458 C PHE A 121 4.459 2.535 -5.173 1.00 0.40 C ATOM 1459 O PHE A 121 4.756 3.716 -4.989 1.00 0.49 O ATOM 1460 CB PHE A 121 3.163 3.013 -7.222 1.00 0.61 C ATOM 1461 CG PHE A 121 1.917 2.868 -8.051 1.00 0.49 C ATOM 1462 CD1 PHE A 121 0.797 3.636 -7.782 1.00 0.52 C ATOM 1463 CD2 PHE A 121 1.857 1.943 -9.079 1.00 0.98 C ATOM 1464 CE1 PHE A 121 -0.358 3.487 -8.524 1.00 0.96 C ATOM 1465 CE2 PHE A 121 0.707 1.794 -9.827 1.00 1.49 C ATOM 1466 CZ PHE A 121 -0.367 2.636 -9.615 1.00 1.45 C ATOM 0 H PHE A 121 1.834 3.423 -4.970 1.00 0.34 H new ATOM 0 HA PHE A 121 3.190 1.122 -6.223 1.00 0.42 H new ATOM 0 HB2 PHE A 121 3.279 4.063 -6.952 1.00 0.61 H new ATOM 0 HB3 PHE A 121 4.022 2.746 -7.838 1.00 0.61 H new ATOM 0 HD1 PHE A 121 0.827 4.361 -6.982 1.00 0.52 H new ATOM 0 HD2 PHE A 121 2.720 1.331 -9.298 1.00 0.98 H new ATOM 0 HE1 PHE A 121 -1.250 4.032 -8.254 1.00 0.96 H new ATOM 0 HE2 PHE A 121 0.647 1.020 -10.577 1.00 1.49 H new ATOM 0 HZ PHE A 121 -1.206 2.630 -10.295 1.00 1.45 H new ATOM 1476 N VAL A 122 5.181 1.542 -4.701 1.00 0.49 N ATOM 1477 CA VAL A 122 6.381 1.804 -3.937 1.00 0.61 C ATOM 1478 C VAL A 122 7.631 1.525 -4.771 1.00 0.73 C ATOM 1479 O VAL A 122 7.686 0.563 -5.537 1.00 0.95 O ATOM 1480 CB VAL A 122 6.399 1.122 -2.790 1.00 0.77 C ATOM 1481 CG1 VAL A 122 6.393 -0.385 -3.027 1.00 1.61 C ATOM 1482 CG2 VAL A 122 7.571 1.531 -1.908 1.00 1.52 C ATOM 0 H VAL A 122 4.961 0.555 -4.831 1.00 0.49 H new ATOM 0 HA VAL A 122 6.379 2.863 -3.678 1.00 0.61 H new ATOM 0 HB VAL A 122 5.482 1.376 -2.259 1.00 0.77 H new ATOM 0 HG11 VAL A 122 6.408 -0.904 -2.069 1.00 1.61 H new ATOM 0 HG12 VAL A 122 5.494 -0.663 -3.576 1.00 1.61 H new ATOM 0 HG13 VAL A 122 7.273 -0.666 -3.606 1.00 1.61 H new ATOM 0 HG21 VAL A 122 7.550 0.953 -0.984 1.00 1.52 H new ATOM 0 HG22 VAL A 122 8.506 1.340 -2.434 1.00 1.52 H new ATOM 0 HG23 VAL A 122 7.497 2.593 -1.674 1.00 1.52 H new ATOM 1492 N LYS A 123 8.588 2.434 -4.696 1.00 0.76 N ATOM 1493 CA LYS A 123 9.854 2.264 -5.376 1.00 0.97 C ATOM 1494 C LYS A 123 10.987 2.319 -4.376 1.00 1.04 C ATOM 1495 O LYS A 123 11.267 3.373 -3.810 1.00 1.02 O ATOM 1496 CB LYS A 123 10.071 3.337 -6.443 1.00 1.11 C ATOM 1497 CG LYS A 123 9.182 3.200 -7.666 1.00 1.66 C ATOM 1498 CD LYS A 123 9.686 4.082 -8.792 1.00 2.03 C ATOM 1499 CE LYS A 123 8.932 3.837 -10.087 1.00 2.74 C ATOM 1500 NZ LYS A 123 9.619 4.467 -11.244 1.00 3.45 N ATOM 0 H LYS A 123 8.508 3.302 -4.166 1.00 0.76 H new ATOM 0 HA LYS A 123 9.835 1.292 -5.868 1.00 0.97 H new ATOM 0 HB2 LYS A 123 9.902 4.316 -5.995 1.00 1.11 H new ATOM 0 HB3 LYS A 123 11.113 3.308 -6.762 1.00 1.11 H new ATOM 0 HG2 LYS A 123 9.161 2.160 -7.993 1.00 1.66 H new ATOM 0 HG3 LYS A 123 8.158 3.475 -7.411 1.00 1.66 H new ATOM 0 HD2 LYS A 123 9.584 5.129 -8.506 1.00 2.03 H new ATOM 0 HD3 LYS A 123 10.748 3.896 -8.950 1.00 2.03 H new ATOM 0 HE2 LYS A 123 8.839 2.765 -10.258 1.00 2.74 H new ATOM 0 HE3 LYS A 123 7.921 4.235 -10.002 1.00 2.74 H new ATOM 0 HZ1 LYS A 123 9.078 4.281 -12.112 1.00 3.45 H new ATOM 0 HZ2 LYS A 123 9.686 5.494 -11.091 1.00 3.45 H new ATOM 0 HZ3 LYS A 123 10.575 4.068 -11.339 1.00 3.45 H new