USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 563 hydrogens (18 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 1 KDH O02 : rot 180:sc= 0 USER MOD Single : A 1 KDH O03 : rot -28:sc= 1.26 USER MOD Single : A 1 KDH O1 : rot -1:sc= -0.996 USER MOD Single : A 1 KDH O10 : rot 180:sc=0.000658 USER MOD Single : A 1 KDH O44 : rot -149:sc=0.000552 USER MOD Single : A 1 KDH O47 : rot -120:sc=2.16e-05 USER MOD Single : A 1 KDH O50 : rot -176:sc= -0.0716 USER MOD Single : A 1 KDH O7 : rot 84:sc= 0.795 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -170:sc= -1.95! USER MOD Single : A 98 SER OG : rot -105:sc= -0.0945 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0281) USER MOD Single : A 107 ASN :FLIP amide:sc= -3.88 F(o=-5.2!,f=-3.9) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl -105:sc= -7.06! (180deg=-12.2!) USER MOD Single : A 122 GLN : amide:sc= -0.335 K(o=-0.34,f=-2.8!) USER MOD Single : A 124 THR OG1 : rot -71:sc= 1.25 USER MOD Single : A 127 THR OG1 : rot 48:sc= 1.15 USER MOD Single : A 129 THR OG1 : rot 180:sc= -0.0184 USER MOD Single : A 137 MET CE :methyl -119:sc= -8.25! (180deg=-13!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= 0.517 K(o=0.52,f=-0.55) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 TYR OH : rot 180:sc= -1.77 USER MOD Single : A 157 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 90 13.207 6.008 4.183 1.00 2.87 N ATOM 2 CA MET A 90 12.619 7.149 4.943 1.00 2.20 C ATOM 3 C MET A 90 11.388 7.693 4.212 1.00 1.76 C ATOM 4 O MET A 90 11.005 8.833 4.386 1.00 2.23 O ATOM 5 CB MET A 90 13.725 8.203 4.993 1.00 2.68 C ATOM 6 CG MET A 90 13.478 9.153 6.167 1.00 3.11 C ATOM 7 SD MET A 90 13.860 10.849 5.663 1.00 4.08 S ATOM 8 CE MET A 90 15.199 11.142 6.844 1.00 4.71 C ATOM 0 HA MET A 90 12.291 6.856 5.940 1.00 2.20 H new ATOM 0 HB2 MET A 90 14.696 7.720 5.101 1.00 2.68 H new ATOM 0 HB3 MET A 90 13.750 8.763 4.058 1.00 2.68 H new ATOM 0 HG2 MET A 90 12.440 9.084 6.492 1.00 3.11 H new ATOM 0 HG3 MET A 90 14.098 8.867 7.017 1.00 3.11 H new ATOM 0 HE1 MET A 90 15.590 12.150 6.708 1.00 4.71 H new ATOM 0 HE2 MET A 90 14.818 11.035 7.860 1.00 4.71 H new ATOM 0 HE3 MET A 90 15.996 10.418 6.677 1.00 4.71 H new ATOM 20 N GLY A 91 10.766 6.887 3.396 1.00 1.61 N ATOM 21 CA GLY A 91 9.562 7.361 2.657 1.00 1.31 C ATOM 22 C GLY A 91 8.986 6.214 1.824 1.00 1.37 C ATOM 23 O GLY A 91 9.686 5.570 1.068 1.00 1.61 O ATOM 0 H GLY A 91 11.039 5.922 3.209 1.00 1.61 H new ATOM 0 HA2 GLY A 91 8.812 7.726 3.359 1.00 1.31 H new ATOM 0 HA3 GLY A 91 9.826 8.197 2.009 1.00 1.31 H new ATOM 27 N LYS A 92 7.715 5.953 1.957 1.00 1.27 N ATOM 28 CA LYS A 92 7.092 4.848 1.173 1.00 1.47 C ATOM 29 C LYS A 92 5.568 4.978 1.202 1.00 1.40 C ATOM 30 O LYS A 92 4.949 5.373 0.235 1.00 1.56 O ATOM 31 CB LYS A 92 7.535 3.565 1.875 1.00 1.61 C ATOM 32 CG LYS A 92 8.212 2.636 0.865 1.00 1.94 C ATOM 33 CD LYS A 92 9.453 2.006 1.502 1.00 2.31 C ATOM 34 CE LYS A 92 10.707 2.721 0.995 1.00 2.59 C ATOM 35 NZ LYS A 92 11.567 1.640 0.437 1.00 3.20 N ATOM 0 H LYS A 92 7.080 6.457 2.575 1.00 1.27 H new ATOM 0 HA LYS A 92 7.393 4.862 0.125 1.00 1.47 H new ATOM 0 HB2 LYS A 92 8.224 3.801 2.686 1.00 1.61 H new ATOM 0 HB3 LYS A 92 6.675 3.067 2.322 1.00 1.61 H new ATOM 0 HG2 LYS A 92 7.518 1.858 0.549 1.00 1.94 H new ATOM 0 HG3 LYS A 92 8.492 3.195 -0.028 1.00 1.94 H new ATOM 0 HD2 LYS A 92 9.394 2.079 2.588 1.00 2.31 H new ATOM 0 HD3 LYS A 92 9.502 0.945 1.256 1.00 2.31 H new ATOM 0 HE2 LYS A 92 10.459 3.461 0.234 1.00 2.59 H new ATOM 0 HE3 LYS A 92 11.213 3.251 1.802 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 12.448 2.052 0.069 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 11.792 0.954 1.186 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 11.062 1.158 -0.334 1.00 3.20 H new ATOM 49 N SER A 93 4.958 4.648 2.307 1.00 1.38 N ATOM 50 CA SER A 93 3.474 4.754 2.399 1.00 1.40 C ATOM 51 C SER A 93 3.082 5.675 3.557 1.00 1.20 C ATOM 52 O SER A 93 3.924 6.266 4.203 1.00 1.08 O ATOM 53 CB SER A 93 2.989 3.330 2.661 1.00 1.60 C ATOM 54 OG SER A 93 3.693 2.791 3.772 1.00 2.20 O ATOM 0 H SER A 93 5.422 4.310 3.150 1.00 1.38 H new ATOM 0 HA SER A 93 3.034 5.174 1.495 1.00 1.40 H new ATOM 0 HB2 SER A 93 1.917 3.329 2.860 1.00 1.60 H new ATOM 0 HB3 SER A 93 3.150 2.711 1.779 1.00 1.60 H new ATOM 0 HG SER A 93 3.503 1.833 3.846 1.00 2.20 H new ATOM 60 N GLU A 94 1.810 5.799 3.824 1.00 1.26 N ATOM 61 CA GLU A 94 1.363 6.683 4.940 1.00 1.17 C ATOM 62 C GLU A 94 2.288 6.521 6.148 1.00 1.12 C ATOM 63 O GLU A 94 2.461 7.431 6.934 1.00 1.09 O ATOM 64 CB GLU A 94 -0.051 6.211 5.273 1.00 1.33 C ATOM 65 CG GLU A 94 -1.006 6.667 4.170 1.00 1.28 C ATOM 66 CD GLU A 94 -2.003 5.548 3.864 1.00 1.44 C ATOM 67 OE1 GLU A 94 -1.563 4.428 3.664 1.00 1.94 O ATOM 68 OE2 GLU A 94 -3.189 5.830 3.834 1.00 2.09 O ATOM 0 H GLU A 94 1.061 5.327 3.318 1.00 1.26 H new ATOM 0 HA GLU A 94 1.386 7.738 4.668 1.00 1.17 H new ATOM 0 HB2 GLU A 94 -0.073 5.125 5.363 1.00 1.33 H new ATOM 0 HB3 GLU A 94 -0.366 6.617 6.234 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -1.537 7.566 4.483 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -0.445 6.924 3.272 1.00 1.28 H new ATOM 75 N GLU A 95 2.891 5.374 6.298 1.00 1.19 N ATOM 76 CA GLU A 95 3.811 5.166 7.451 1.00 1.23 C ATOM 77 C GLU A 95 4.783 6.343 7.554 1.00 1.03 C ATOM 78 O GLU A 95 4.792 7.072 8.526 1.00 1.01 O ATOM 79 CB GLU A 95 4.563 3.874 7.130 1.00 1.45 C ATOM 80 CG GLU A 95 3.559 2.742 6.896 1.00 1.90 C ATOM 81 CD GLU A 95 3.972 1.513 7.708 1.00 2.12 C ATOM 82 OE1 GLU A 95 3.544 1.409 8.846 1.00 2.66 O ATOM 83 OE2 GLU A 95 4.708 0.697 7.178 1.00 2.49 O ATOM 0 H GLU A 95 2.787 4.574 5.674 1.00 1.19 H new ATOM 0 HA GLU A 95 3.282 5.100 8.402 1.00 1.23 H new ATOM 0 HB2 GLU A 95 5.184 4.013 6.245 1.00 1.45 H new ATOM 0 HB3 GLU A 95 5.232 3.617 7.951 1.00 1.45 H new ATOM 0 HG2 GLU A 95 2.559 3.063 7.187 1.00 1.90 H new ATOM 0 HG3 GLU A 95 3.518 2.493 5.836 1.00 1.90 H new ATOM 90 N GLU A 96 5.599 6.538 6.553 1.00 1.02 N ATOM 91 CA GLU A 96 6.565 7.672 6.587 1.00 0.94 C ATOM 92 C GLU A 96 5.992 8.875 5.831 1.00 0.79 C ATOM 93 O GLU A 96 6.171 10.010 6.225 1.00 0.82 O ATOM 94 CB GLU A 96 7.822 7.148 5.890 1.00 1.15 C ATOM 95 CG GLU A 96 8.402 5.980 6.690 1.00 1.62 C ATOM 96 CD GLU A 96 9.593 5.386 5.935 1.00 1.99 C ATOM 97 OE1 GLU A 96 9.501 5.266 4.724 1.00 2.18 O ATOM 98 OE2 GLU A 96 10.576 5.061 6.579 1.00 2.78 O ATOM 0 H GLU A 96 5.638 5.960 5.713 1.00 1.02 H new ATOM 0 HA GLU A 96 6.775 8.005 7.603 1.00 0.94 H new ATOM 0 HB2 GLU A 96 7.581 6.824 4.877 1.00 1.15 H new ATOM 0 HB3 GLU A 96 8.561 7.945 5.803 1.00 1.15 H new ATOM 0 HG2 GLU A 96 8.717 6.321 7.676 1.00 1.62 H new ATOM 0 HG3 GLU A 96 7.639 5.217 6.845 1.00 1.62 H new ATOM 105 N LEU A 97 5.303 8.635 4.747 1.00 0.77 N ATOM 106 CA LEU A 97 4.721 9.767 3.968 1.00 0.71 C ATOM 107 C LEU A 97 4.013 10.746 4.908 1.00 0.67 C ATOM 108 O LEU A 97 4.102 11.947 4.750 1.00 0.75 O ATOM 109 CB LEU A 97 3.713 9.122 3.014 1.00 0.80 C ATOM 110 CG LEU A 97 4.439 8.185 2.046 1.00 0.77 C ATOM 111 CD1 LEU A 97 3.507 7.827 0.888 1.00 1.40 C ATOM 112 CD2 LEU A 97 5.687 8.880 1.496 1.00 1.22 C ATOM 0 H LEU A 97 5.118 7.706 4.368 1.00 0.77 H new ATOM 0 HA LEU A 97 5.484 10.331 3.433 1.00 0.71 H new ATOM 0 HB2 LEU A 97 2.966 8.566 3.581 1.00 0.80 H new ATOM 0 HB3 LEU A 97 3.181 9.893 2.457 1.00 0.80 H new ATOM 0 HG LEU A 97 4.732 7.278 2.574 1.00 0.77 H new ATOM 0 HD11 LEU A 97 4.024 7.160 0.198 1.00 1.40 H new ATOM 0 HD12 LEU A 97 2.618 7.330 1.277 1.00 1.40 H new ATOM 0 HD13 LEU A 97 3.214 8.736 0.363 1.00 1.40 H new ATOM 0 HD21 LEU A 97 6.202 8.211 0.807 1.00 1.22 H new ATOM 0 HD22 LEU A 97 5.395 9.789 0.969 1.00 1.22 H new ATOM 0 HD23 LEU A 97 6.354 9.136 2.320 1.00 1.22 H new ATOM 124 N SER A 98 3.308 10.239 5.883 1.00 0.69 N ATOM 125 CA SER A 98 2.591 11.138 6.833 1.00 0.76 C ATOM 126 C SER A 98 3.480 12.323 7.217 1.00 0.72 C ATOM 127 O SER A 98 3.110 13.469 7.050 1.00 0.77 O ATOM 128 CB SER A 98 2.303 10.270 8.057 1.00 0.92 C ATOM 129 OG SER A 98 3.532 9.890 8.662 1.00 1.57 O ATOM 0 H SER A 98 3.197 9.241 6.063 1.00 0.69 H new ATOM 0 HA SER A 98 1.680 11.552 6.400 1.00 0.76 H new ATOM 0 HB2 SER A 98 1.688 10.819 8.770 1.00 0.92 H new ATOM 0 HB3 SER A 98 1.739 9.384 7.765 1.00 0.92 H new ATOM 0 HG SER A 98 3.718 8.949 8.461 1.00 1.57 H new ATOM 135 N ASP A 99 4.649 12.056 7.730 1.00 0.80 N ATOM 136 CA ASP A 99 5.561 13.167 8.126 1.00 0.86 C ATOM 137 C ASP A 99 6.356 13.659 6.914 1.00 0.81 C ATOM 138 O ASP A 99 6.782 14.795 6.860 1.00 0.91 O ATOM 139 CB ASP A 99 6.496 12.556 9.169 1.00 1.02 C ATOM 140 CG ASP A 99 6.422 13.369 10.462 1.00 1.23 C ATOM 141 OD1 ASP A 99 6.912 14.486 10.465 1.00 1.83 O ATOM 142 OD2 ASP A 99 5.876 12.861 11.427 1.00 1.79 O ATOM 0 H ASP A 99 5.013 11.117 7.892 1.00 0.80 H new ATOM 0 HA ASP A 99 5.018 14.027 8.518 1.00 0.86 H new ATOM 0 HB2 ASP A 99 6.215 11.521 9.362 1.00 1.02 H new ATOM 0 HB3 ASP A 99 7.519 12.544 8.793 1.00 1.02 H new ATOM 147 N LEU A 100 6.561 12.812 5.942 1.00 0.75 N ATOM 148 CA LEU A 100 7.330 13.238 4.738 1.00 0.76 C ATOM 149 C LEU A 100 6.760 14.545 4.184 1.00 0.68 C ATOM 150 O LEU A 100 7.411 15.571 4.191 1.00 0.79 O ATOM 151 CB LEU A 100 7.151 12.108 3.724 1.00 0.86 C ATOM 152 CG LEU A 100 7.994 12.407 2.484 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.293 11.601 2.542 1.00 1.41 C ATOM 154 CD2 LEU A 100 7.210 12.021 1.228 1.00 1.41 C ATOM 0 H LEU A 100 6.231 11.847 5.929 1.00 0.75 H new ATOM 0 HA LEU A 100 8.381 13.416 4.966 1.00 0.76 H new ATOM 0 HB2 LEU A 100 7.454 11.158 4.164 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.100 12.012 3.450 1.00 0.86 H new ATOM 0 HG LEU A 100 8.228 13.471 2.453 1.00 0.79 H new ATOM 0 HD11 LEU A 100 9.893 11.815 1.658 1.00 1.41 H new ATOM 0 HD12 LEU A 100 9.853 11.877 3.436 1.00 1.41 H new ATOM 0 HD13 LEU A 100 9.060 10.537 2.574 1.00 1.41 H new ATOM 0 HD21 LEU A 100 7.811 12.234 0.344 1.00 1.41 H new ATOM 0 HD22 LEU A 100 6.974 10.957 1.259 1.00 1.41 H new ATOM 0 HD23 LEU A 100 6.285 12.596 1.185 1.00 1.41 H new ATOM 166 N PHE A 101 5.547 14.516 3.703 1.00 0.60 N ATOM 167 CA PHE A 101 4.936 15.757 3.149 1.00 0.59 C ATOM 168 C PHE A 101 5.150 16.924 4.117 1.00 0.60 C ATOM 169 O PHE A 101 5.235 18.068 3.717 1.00 0.72 O ATOM 170 CB PHE A 101 3.447 15.439 3.011 1.00 0.61 C ATOM 171 CG PHE A 101 2.715 16.662 2.516 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.488 17.738 3.382 1.00 0.86 C ATOM 173 CD2 PHE A 101 2.265 16.721 1.192 1.00 0.68 C ATOM 174 CE1 PHE A 101 1.809 18.873 2.925 1.00 0.90 C ATOM 175 CE2 PHE A 101 1.586 17.857 0.735 1.00 0.73 C ATOM 176 CZ PHE A 101 1.359 18.933 1.600 1.00 0.69 C ATOM 0 H PHE A 101 4.953 13.687 3.670 1.00 0.60 H new ATOM 0 HA PHE A 101 5.378 16.048 2.196 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.304 14.611 2.317 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.041 15.123 3.972 1.00 0.61 H new ATOM 0 HD1 PHE A 101 2.837 17.692 4.403 1.00 0.86 H new ATOM 0 HD2 PHE A 101 2.441 15.891 0.524 1.00 0.68 H new ATOM 0 HE1 PHE A 101 1.632 19.702 3.594 1.00 0.90 H new ATOM 0 HE2 PHE A 101 1.237 17.903 -0.286 1.00 0.73 H new ATOM 0 HZ PHE A 101 0.837 19.810 1.246 1.00 0.69 H new ATOM 186 N ARG A 102 5.240 16.641 5.388 1.00 0.67 N ATOM 187 CA ARG A 102 5.451 17.732 6.382 1.00 0.76 C ATOM 188 C ARG A 102 6.927 18.141 6.412 1.00 0.68 C ATOM 189 O ARG A 102 7.274 19.215 6.864 1.00 0.78 O ATOM 190 CB ARG A 102 5.032 17.130 7.723 1.00 0.99 C ATOM 191 CG ARG A 102 5.266 18.151 8.837 1.00 1.30 C ATOM 192 CD ARG A 102 6.602 17.858 9.524 1.00 1.45 C ATOM 193 NE ARG A 102 6.516 18.548 10.842 1.00 2.12 N ATOM 194 CZ ARG A 102 7.452 18.371 11.737 1.00 2.71 C ATOM 195 NH1 ARG A 102 8.466 17.589 11.481 1.00 3.07 N ATOM 196 NH2 ARG A 102 7.373 18.978 12.890 1.00 3.37 N ATOM 0 H ARG A 102 5.177 15.702 5.781 1.00 0.67 H new ATOM 0 HA ARG A 102 4.879 18.628 6.142 1.00 0.76 H new ATOM 0 HB2 ARG A 102 3.981 16.844 7.692 1.00 0.99 H new ATOM 0 HB3 ARG A 102 5.603 16.223 7.921 1.00 0.99 H new ATOM 0 HG2 ARG A 102 5.270 19.160 8.425 1.00 1.30 H new ATOM 0 HG3 ARG A 102 4.454 18.106 9.563 1.00 1.30 H new ATOM 0 HD2 ARG A 102 6.755 16.786 9.649 1.00 1.45 H new ATOM 0 HD3 ARG A 102 7.439 18.233 8.936 1.00 1.45 H new ATOM 0 HE ARG A 102 5.725 19.159 11.046 1.00 2.12 H new ATOM 0 HH11 ARG A 102 8.529 17.114 10.580 1.00 3.07 H new ATOM 0 HH12 ARG A 102 9.195 17.453 12.182 1.00 3.07 H new ATOM 0 HH21 ARG A 102 6.582 19.589 13.091 1.00 3.37 H new ATOM 0 HH22 ARG A 102 8.103 18.841 13.590 1.00 3.37 H new ATOM 210 N MET A 103 7.799 17.294 5.935 1.00 0.71 N ATOM 211 CA MET A 103 9.251 17.637 5.937 1.00 0.75 C ATOM 212 C MET A 103 9.622 18.390 4.655 1.00 0.68 C ATOM 213 O MET A 103 10.060 19.523 4.695 1.00 0.83 O ATOM 214 CB MET A 103 9.976 16.292 5.995 1.00 0.93 C ATOM 215 CG MET A 103 10.066 15.820 7.448 1.00 1.27 C ATOM 216 SD MET A 103 11.806 15.656 7.921 1.00 1.82 S ATOM 217 CE MET A 103 11.769 13.893 8.325 1.00 2.43 C ATOM 0 H MET A 103 7.569 16.380 5.544 1.00 0.71 H new ATOM 0 HA MET A 103 9.520 18.283 6.773 1.00 0.75 H new ATOM 0 HB2 MET A 103 9.444 15.554 5.395 1.00 0.93 H new ATOM 0 HB3 MET A 103 10.975 16.387 5.570 1.00 0.93 H new ATOM 0 HG2 MET A 103 9.565 16.531 8.105 1.00 1.27 H new ATOM 0 HG3 MET A 103 9.555 14.864 7.564 1.00 1.27 H new ATOM 0 HE1 MET A 103 12.760 13.573 8.647 1.00 2.43 H new ATOM 0 HE2 MET A 103 11.052 13.719 9.127 1.00 2.43 H new ATOM 0 HE3 MET A 103 11.473 13.324 7.444 1.00 2.43 H new ATOM 227 N PHE A 104 9.452 17.770 3.519 1.00 0.68 N ATOM 228 CA PHE A 104 9.798 18.451 2.238 1.00 0.79 C ATOM 229 C PHE A 104 9.139 19.831 2.174 1.00 0.71 C ATOM 230 O PHE A 104 9.759 20.807 1.802 1.00 0.88 O ATOM 231 CB PHE A 104 9.239 17.546 1.139 1.00 0.94 C ATOM 232 CG PHE A 104 9.937 16.204 1.159 1.00 1.31 C ATOM 233 CD1 PHE A 104 11.183 16.058 1.787 1.00 1.26 C ATOM 234 CD2 PHE A 104 9.335 15.100 0.542 1.00 2.03 C ATOM 235 CE1 PHE A 104 11.821 14.812 1.796 1.00 1.86 C ATOM 236 CE2 PHE A 104 9.974 13.855 0.553 1.00 2.65 C ATOM 237 CZ PHE A 104 11.217 13.711 1.179 1.00 2.56 C ATOM 0 H PHE A 104 9.089 16.822 3.422 1.00 0.68 H new ATOM 0 HA PHE A 104 10.872 18.604 2.135 1.00 0.79 H new ATOM 0 HB2 PHE A 104 8.167 17.408 1.282 1.00 0.94 H new ATOM 0 HB3 PHE A 104 9.373 18.019 0.166 1.00 0.94 H new ATOM 0 HD1 PHE A 104 11.650 16.907 2.264 1.00 1.26 H new ATOM 0 HD2 PHE A 104 8.376 15.210 0.057 1.00 2.03 H new ATOM 0 HE1 PHE A 104 12.780 14.700 2.280 1.00 1.86 H new ATOM 0 HE2 PHE A 104 9.507 13.005 0.078 1.00 2.65 H new ATOM 0 HZ PHE A 104 11.710 12.750 1.186 1.00 2.56 H new ATOM 247 N ASP A 105 7.888 19.917 2.530 1.00 0.61 N ATOM 248 CA ASP A 105 7.186 21.233 2.486 1.00 0.60 C ATOM 249 C ASP A 105 8.064 22.328 3.099 1.00 0.56 C ATOM 250 O ASP A 105 8.029 22.573 4.289 1.00 0.63 O ATOM 251 CB ASP A 105 5.920 21.031 3.321 1.00 0.68 C ATOM 252 CG ASP A 105 4.949 22.185 3.066 1.00 0.86 C ATOM 253 OD1 ASP A 105 5.416 23.299 2.892 1.00 0.84 O ATOM 254 OD2 ASP A 105 3.755 21.935 3.050 1.00 1.45 O ATOM 0 H ASP A 105 7.319 19.133 2.850 1.00 0.61 H new ATOM 0 HA ASP A 105 6.960 21.545 1.467 1.00 0.60 H new ATOM 0 HB2 ASP A 105 5.449 20.082 3.063 1.00 0.68 H new ATOM 0 HB3 ASP A 105 6.174 20.983 4.380 1.00 0.68 H new ATOM 259 N LYS A 106 8.850 22.992 2.294 1.00 0.59 N ATOM 260 CA LYS A 106 9.727 24.074 2.829 1.00 0.66 C ATOM 261 C LYS A 106 8.928 25.370 2.976 1.00 0.55 C ATOM 262 O LYS A 106 9.325 26.281 3.675 1.00 0.63 O ATOM 263 CB LYS A 106 10.833 24.241 1.787 1.00 0.87 C ATOM 264 CG LYS A 106 11.786 25.353 2.229 1.00 1.21 C ATOM 265 CD LYS A 106 12.519 25.915 1.009 1.00 1.61 C ATOM 266 CE LYS A 106 11.548 26.743 0.164 1.00 1.77 C ATOM 267 NZ LYS A 106 12.408 27.713 -0.569 1.00 2.14 N ATOM 0 H LYS A 106 8.923 22.832 1.289 1.00 0.59 H new ATOM 0 HA LYS A 106 10.130 23.833 3.813 1.00 0.66 H new ATOM 0 HB2 LYS A 106 11.379 23.305 1.668 1.00 0.87 H new ATOM 0 HB3 LYS A 106 10.400 24.483 0.817 1.00 0.87 H new ATOM 0 HG2 LYS A 106 11.229 26.146 2.729 1.00 1.21 H new ATOM 0 HG3 LYS A 106 12.505 24.965 2.951 1.00 1.21 H new ATOM 0 HD2 LYS A 106 13.357 26.534 1.329 1.00 1.61 H new ATOM 0 HD3 LYS A 106 12.932 25.101 0.413 1.00 1.61 H new ATOM 0 HE2 LYS A 106 10.988 26.112 -0.526 1.00 1.77 H new ATOM 0 HE3 LYS A 106 10.818 27.257 0.790 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 11.822 28.272 -1.222 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 12.872 28.349 0.111 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 13.131 27.197 -1.109 1.00 2.14 H new ATOM 281 N ASN A 107 7.803 25.456 2.322 1.00 0.48 N ATOM 282 CA ASN A 107 6.974 26.690 2.422 1.00 0.50 C ATOM 283 C ASN A 107 6.186 26.686 3.734 1.00 0.58 C ATOM 284 O ASN A 107 5.737 27.712 4.205 1.00 0.70 O ATOM 285 CB ASN A 107 6.027 26.623 1.224 1.00 0.54 C ATOM 286 CG ASN A 107 5.004 27.756 1.313 1.00 0.70 C ATOM 287 OD1 ASN A 107 3.813 27.583 0.809 1.00 1.00 O flip ATOM 288 ND2 ASN A 107 5.292 28.810 1.846 1.00 0.78 N flip ATOM 0 H ASN A 107 7.422 24.725 1.722 1.00 0.48 H new ATOM 0 HA ASN A 107 7.575 27.599 2.415 1.00 0.50 H new ATOM 0 HB2 ASN A 107 6.593 26.703 0.296 1.00 0.54 H new ATOM 0 HB3 ASN A 107 5.517 25.660 1.205 1.00 0.54 H new ATOM 0 HD21 ASN A 107 6.223 28.945 2.240 1.00 0.78 H new ATOM 0 HD22 ASN A 107 4.602 29.560 1.899 1.00 0.78 H new ATOM 295 N ALA A 108 6.015 25.536 4.328 1.00 0.65 N ATOM 296 CA ALA A 108 5.258 25.464 5.610 1.00 0.84 C ATOM 297 C ALA A 108 3.921 26.198 5.477 1.00 0.78 C ATOM 298 O ALA A 108 3.617 27.097 6.236 1.00 0.96 O ATOM 299 CB ALA A 108 6.153 26.157 6.637 1.00 1.03 C ATOM 0 H ALA A 108 6.367 24.644 3.981 1.00 0.65 H new ATOM 0 HA ALA A 108 5.028 24.438 5.898 1.00 0.84 H new ATOM 0 HB1 ALA A 108 5.665 26.146 7.611 1.00 1.03 H new ATOM 0 HB2 ALA A 108 7.106 25.632 6.703 1.00 1.03 H new ATOM 0 HB3 ALA A 108 6.328 27.188 6.330 1.00 1.03 H new ATOM 305 N ASP A 109 3.122 25.822 4.517 1.00 0.73 N ATOM 306 CA ASP A 109 1.805 26.497 4.334 1.00 0.74 C ATOM 307 C ASP A 109 0.669 25.476 4.452 1.00 0.78 C ATOM 308 O ASP A 109 -0.494 25.827 4.473 1.00 0.96 O ATOM 309 CB ASP A 109 1.854 27.087 2.924 1.00 0.72 C ATOM 310 CG ASP A 109 1.852 25.954 1.896 1.00 1.15 C ATOM 311 OD1 ASP A 109 2.394 24.904 2.200 1.00 1.66 O ATOM 312 OD2 ASP A 109 1.310 26.156 0.822 1.00 1.95 O ATOM 0 H ASP A 109 3.324 25.076 3.851 1.00 0.73 H new ATOM 0 HA ASP A 109 1.624 27.263 5.088 1.00 0.74 H new ATOM 0 HB2 ASP A 109 0.997 27.741 2.762 1.00 0.72 H new ATOM 0 HB3 ASP A 109 2.748 27.699 2.805 1.00 0.72 H new ATOM 317 N GLY A 110 0.997 24.215 4.531 1.00 0.76 N ATOM 318 CA GLY A 110 -0.063 23.174 4.649 1.00 0.85 C ATOM 319 C GLY A 110 -0.213 22.441 3.315 1.00 0.70 C ATOM 320 O GLY A 110 -0.544 21.273 3.272 1.00 0.73 O ATOM 0 H GLY A 110 1.953 23.861 4.519 1.00 0.76 H new ATOM 0 HA2 GLY A 110 0.194 22.467 5.437 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -1.010 23.635 4.931 1.00 0.85 H new ATOM 324 N TYR A 111 0.026 23.117 2.225 1.00 0.68 N ATOM 325 CA TYR A 111 -0.104 22.457 0.895 1.00 0.60 C ATOM 326 C TYR A 111 1.152 22.701 0.055 1.00 0.58 C ATOM 327 O TYR A 111 1.663 23.802 -0.009 1.00 0.83 O ATOM 328 CB TYR A 111 -1.319 23.118 0.242 1.00 0.68 C ATOM 329 CG TYR A 111 -2.486 23.099 1.200 1.00 0.68 C ATOM 330 CD1 TYR A 111 -2.501 23.960 2.304 1.00 0.71 C ATOM 331 CD2 TYR A 111 -3.554 22.220 0.985 1.00 0.78 C ATOM 332 CE1 TYR A 111 -3.584 23.943 3.192 1.00 0.78 C ATOM 333 CE2 TYR A 111 -4.637 22.202 1.872 1.00 0.83 C ATOM 334 CZ TYR A 111 -4.652 23.063 2.976 1.00 0.80 C ATOM 335 OH TYR A 111 -5.719 23.046 3.850 1.00 0.90 O ATOM 0 H TYR A 111 0.306 24.098 2.198 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.222 21.377 0.982 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.081 24.145 -0.036 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.581 22.592 -0.676 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -1.677 24.638 2.471 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -3.543 21.555 0.134 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -3.596 24.608 4.043 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -5.461 21.524 1.705 1.00 0.83 H new ATOM 0 HH TYR A 111 -6.373 22.379 3.554 1.00 0.90 H new ATOM 345 N ILE A 112 1.653 21.684 -0.592 1.00 0.50 N ATOM 346 CA ILE A 112 2.873 21.864 -1.430 1.00 0.50 C ATOM 347 C ILE A 112 2.519 22.609 -2.719 1.00 0.49 C ATOM 348 O ILE A 112 1.562 22.282 -3.392 1.00 0.66 O ATOM 349 CB ILE A 112 3.352 20.447 -1.748 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.901 19.790 -0.481 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.456 20.506 -2.804 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.402 18.385 -0.819 1.00 0.66 C ATOM 0 H ILE A 112 1.271 20.738 -0.577 1.00 0.50 H new ATOM 0 HA ILE A 112 3.640 22.448 -0.921 1.00 0.50 H new ATOM 0 HB ILE A 112 2.513 19.862 -2.126 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.713 20.389 -0.069 1.00 0.62 H new ATOM 0 HG13 ILE A 112 3.124 19.738 0.282 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.797 19.496 -3.030 1.00 0.58 H new ATOM 0 HG22 ILE A 112 4.068 20.970 -3.711 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.291 21.095 -2.425 1.00 0.58 H new ATOM 0 HD11 ILE A 112 4.795 17.912 0.081 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.578 17.789 -1.212 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.191 18.451 -1.568 1.00 0.66 H new ATOM 364 N ASP A 113 3.283 23.606 -3.069 1.00 0.47 N ATOM 365 CA ASP A 113 2.986 24.368 -4.316 1.00 0.50 C ATOM 366 C ASP A 113 3.924 23.921 -5.441 1.00 0.50 C ATOM 367 O ASP A 113 4.726 23.024 -5.273 1.00 0.57 O ATOM 368 CB ASP A 113 3.235 25.832 -3.955 1.00 0.60 C ATOM 369 CG ASP A 113 1.918 26.608 -4.031 1.00 1.17 C ATOM 370 OD1 ASP A 113 1.194 26.603 -3.049 1.00 1.77 O ATOM 371 OD2 ASP A 113 1.656 27.192 -5.069 1.00 1.85 O ATOM 0 H ASP A 113 4.099 23.926 -2.547 1.00 0.47 H new ATOM 0 HA ASP A 113 1.968 24.206 -4.669 1.00 0.50 H new ATOM 0 HB2 ASP A 113 3.654 25.904 -2.951 1.00 0.60 H new ATOM 0 HB3 ASP A 113 3.965 26.267 -4.637 1.00 0.60 H new ATOM 376 N LEU A 114 3.830 24.537 -6.587 1.00 0.52 N ATOM 377 CA LEU A 114 4.717 24.144 -7.720 1.00 0.57 C ATOM 378 C LEU A 114 6.129 24.696 -7.506 1.00 0.63 C ATOM 379 O LEU A 114 7.111 24.073 -7.859 1.00 0.80 O ATOM 380 CB LEU A 114 4.082 24.774 -8.960 1.00 0.62 C ATOM 381 CG LEU A 114 2.781 24.045 -9.298 1.00 0.61 C ATOM 382 CD1 LEU A 114 1.597 24.822 -8.722 1.00 0.91 C ATOM 383 CD2 LEU A 114 2.634 23.949 -10.818 1.00 0.81 C ATOM 0 H LEU A 114 3.178 25.295 -6.789 1.00 0.52 H new ATOM 0 HA LEU A 114 4.809 23.062 -7.812 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.883 25.831 -8.782 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.771 24.718 -9.802 1.00 0.62 H new ATOM 0 HG LEU A 114 2.802 23.043 -8.868 1.00 0.61 H new ATOM 0 HD11 LEU A 114 0.669 24.303 -8.963 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.702 24.895 -7.639 1.00 0.91 H new ATOM 0 HD13 LEU A 114 1.575 25.823 -9.153 1.00 0.91 H new ATOM 0 HD21 LEU A 114 1.707 23.430 -11.062 1.00 0.81 H new ATOM 0 HD22 LEU A 114 2.611 24.951 -11.245 1.00 0.81 H new ATOM 0 HD23 LEU A 114 3.478 23.397 -11.231 1.00 0.81 H new ATOM 395 N ASP A 115 6.237 25.863 -6.933 1.00 0.61 N ATOM 396 CA ASP A 115 7.583 26.461 -6.701 1.00 0.71 C ATOM 397 C ASP A 115 8.376 25.624 -5.691 1.00 0.65 C ATOM 398 O ASP A 115 9.577 25.760 -5.567 1.00 0.89 O ATOM 399 CB ASP A 115 7.303 27.855 -6.139 1.00 0.80 C ATOM 400 CG ASP A 115 8.285 28.857 -6.746 1.00 1.17 C ATOM 401 OD1 ASP A 115 9.463 28.545 -6.797 1.00 1.76 O ATOM 402 OD2 ASP A 115 7.843 29.920 -7.150 1.00 1.76 O ATOM 0 H ASP A 115 5.451 26.429 -6.615 1.00 0.61 H new ATOM 0 HA ASP A 115 8.178 26.498 -7.613 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.279 28.151 -6.366 1.00 0.80 H new ATOM 0 HB3 ASP A 115 7.400 27.847 -5.053 1.00 0.80 H new ATOM 407 N GLU A 116 7.716 24.762 -4.967 1.00 0.51 N ATOM 408 CA GLU A 116 8.439 23.924 -3.967 1.00 0.48 C ATOM 409 C GLU A 116 8.763 22.549 -4.559 1.00 0.49 C ATOM 410 O GLU A 116 9.780 21.957 -4.257 1.00 0.63 O ATOM 411 CB GLU A 116 7.471 23.786 -2.791 1.00 0.48 C ATOM 412 CG GLU A 116 6.866 25.153 -2.460 1.00 0.57 C ATOM 413 CD GLU A 116 5.965 25.028 -1.231 1.00 0.60 C ATOM 414 OE1 GLU A 116 6.397 24.425 -0.262 1.00 1.36 O ATOM 415 OE2 GLU A 116 4.858 25.537 -1.279 1.00 1.19 O ATOM 0 H GLU A 116 6.710 24.601 -5.024 1.00 0.51 H new ATOM 0 HA GLU A 116 9.387 24.370 -3.666 1.00 0.48 H new ATOM 0 HB2 GLU A 116 6.680 23.078 -3.039 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.994 23.388 -1.921 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.658 25.877 -2.271 1.00 0.57 H new ATOM 0 HG3 GLU A 116 6.292 25.524 -3.309 1.00 0.57 H new ATOM 422 N LEU A 117 7.904 22.035 -5.396 1.00 0.48 N ATOM 423 CA LEU A 117 8.161 20.697 -6.003 1.00 0.52 C ATOM 424 C LEU A 117 9.557 20.652 -6.629 1.00 0.58 C ATOM 425 O LEU A 117 10.244 19.651 -6.564 1.00 0.69 O ATOM 426 CB LEU A 117 7.084 20.537 -7.077 1.00 0.55 C ATOM 427 CG LEU A 117 5.736 20.261 -6.409 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.628 20.278 -7.463 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.777 18.888 -5.735 1.00 0.53 C ATOM 0 H LEU A 117 7.035 22.483 -5.686 1.00 0.48 H new ATOM 0 HA LEU A 117 8.124 19.897 -5.264 1.00 0.52 H new ATOM 0 HB2 LEU A 117 7.023 21.440 -7.684 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.344 19.719 -7.749 1.00 0.55 H new ATOM 0 HG LEU A 117 5.536 21.030 -5.663 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.668 20.081 -6.985 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.600 21.255 -7.945 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.825 19.510 -8.211 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.818 18.688 -5.258 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.977 18.121 -6.483 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.566 18.875 -4.983 1.00 0.53 H new ATOM 441 N LYS A 118 9.984 21.725 -7.237 1.00 0.59 N ATOM 442 CA LYS A 118 11.337 21.733 -7.865 1.00 0.69 C ATOM 443 C LYS A 118 12.411 22.000 -6.806 1.00 0.64 C ATOM 444 O LYS A 118 13.582 21.759 -7.023 1.00 0.73 O ATOM 445 CB LYS A 118 11.294 22.869 -8.889 1.00 0.83 C ATOM 446 CG LYS A 118 10.959 24.183 -8.183 1.00 0.99 C ATOM 447 CD LYS A 118 11.637 25.343 -8.915 1.00 1.35 C ATOM 448 CE LYS A 118 10.782 26.605 -8.780 1.00 1.51 C ATOM 449 NZ LYS A 118 10.888 27.282 -10.102 1.00 1.99 N ATOM 0 H LYS A 118 9.457 22.594 -7.326 1.00 0.59 H new ATOM 0 HA LYS A 118 11.582 20.778 -8.329 1.00 0.69 H new ATOM 0 HB2 LYS A 118 12.255 22.952 -9.396 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.548 22.655 -9.654 1.00 0.83 H new ATOM 0 HG2 LYS A 118 9.880 24.333 -8.163 1.00 0.99 H new ATOM 0 HG3 LYS A 118 11.295 24.147 -7.147 1.00 0.99 H new ATOM 0 HD2 LYS A 118 12.630 25.518 -8.500 1.00 1.35 H new ATOM 0 HD3 LYS A 118 11.771 25.093 -9.967 1.00 1.35 H new ATOM 0 HE2 LYS A 118 9.747 26.358 -8.545 1.00 1.51 H new ATOM 0 HE3 LYS A 118 11.147 27.246 -7.977 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 10.327 28.158 -10.089 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 11.884 27.511 -10.296 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 10.527 26.651 -10.845 1.00 1.99 H new ATOM 463 N ILE A 119 12.022 22.490 -5.661 1.00 0.68 N ATOM 464 CA ILE A 119 13.024 22.766 -4.590 1.00 0.74 C ATOM 465 C ILE A 119 13.206 21.528 -3.708 1.00 0.75 C ATOM 466 O ILE A 119 14.256 21.309 -3.138 1.00 0.85 O ATOM 467 CB ILE A 119 12.435 23.919 -3.778 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.290 25.153 -4.673 1.00 1.22 C ATOM 469 CG2 ILE A 119 13.365 24.247 -2.608 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.693 26.305 -3.863 1.00 1.06 C ATOM 0 H ILE A 119 11.056 22.711 -5.420 1.00 0.68 H new ATOM 0 HA ILE A 119 14.004 23.016 -4.997 1.00 0.74 H new ATOM 0 HB ILE A 119 11.456 23.629 -3.395 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.262 25.441 -5.073 1.00 1.22 H new ATOM 0 HG13 ILE A 119 11.650 24.924 -5.525 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.945 25.069 -2.029 1.00 1.08 H new ATOM 0 HG22 ILE A 119 13.470 23.370 -1.969 1.00 1.08 H new ATOM 0 HG23 ILE A 119 14.344 24.536 -2.991 1.00 1.08 H new ATOM 0 HD11 ILE A 119 11.590 27.183 -4.501 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.713 26.014 -3.485 1.00 1.06 H new ATOM 0 HD13 ILE A 119 12.350 26.540 -3.026 1.00 1.06 H new ATOM 482 N MET A 120 12.189 20.718 -3.591 1.00 0.85 N ATOM 483 CA MET A 120 12.303 19.495 -2.746 1.00 1.01 C ATOM 484 C MET A 120 13.385 18.565 -3.300 1.00 0.95 C ATOM 485 O MET A 120 14.343 18.240 -2.627 1.00 1.11 O ATOM 486 CB MET A 120 10.930 18.825 -2.828 1.00 1.17 C ATOM 487 CG MET A 120 10.996 17.443 -2.174 1.00 1.52 C ATOM 488 SD MET A 120 10.220 16.221 -3.261 1.00 1.88 S ATOM 489 CE MET A 120 8.841 15.792 -2.171 1.00 1.43 C ATOM 0 H MET A 120 11.285 20.850 -4.044 1.00 0.85 H new ATOM 0 HA MET A 120 12.582 19.730 -1.719 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.183 19.441 -2.327 1.00 1.17 H new ATOM 0 HB3 MET A 120 10.621 18.732 -3.869 1.00 1.17 H new ATOM 0 HG2 MET A 120 12.034 17.169 -1.983 1.00 1.52 H new ATOM 0 HG3 MET A 120 10.489 17.461 -1.209 1.00 1.52 H new ATOM 0 HE1 MET A 120 9.024 14.817 -1.720 1.00 1.43 H new ATOM 0 HE2 MET A 120 8.750 16.543 -1.387 1.00 1.43 H new ATOM 0 HE3 MET A 120 7.918 15.757 -2.749 1.00 1.43 H new ATOM 499 N LEU A 121 13.237 18.130 -4.521 1.00 0.87 N ATOM 500 CA LEU A 121 14.255 17.217 -5.117 1.00 0.95 C ATOM 501 C LEU A 121 15.611 17.922 -5.219 1.00 0.87 C ATOM 502 O LEU A 121 16.644 17.289 -5.300 1.00 0.97 O ATOM 503 CB LEU A 121 13.717 16.882 -6.508 1.00 1.09 C ATOM 504 CG LEU A 121 13.244 15.428 -6.535 1.00 1.41 C ATOM 505 CD1 LEU A 121 14.441 14.498 -6.324 1.00 2.03 C ATOM 506 CD2 LEU A 121 12.223 15.204 -5.418 1.00 1.80 C ATOM 0 H LEU A 121 12.456 18.367 -5.132 1.00 0.87 H new ATOM 0 HA LEU A 121 14.411 16.323 -4.513 1.00 0.95 H new ATOM 0 HB2 LEU A 121 12.893 17.549 -6.761 1.00 1.09 H new ATOM 0 HB3 LEU A 121 14.494 17.037 -7.257 1.00 1.09 H new ATOM 0 HG LEU A 121 12.782 15.214 -7.499 1.00 1.41 H new ATOM 0 HD11 LEU A 121 14.104 13.461 -6.343 1.00 2.03 H new ATOM 0 HD12 LEU A 121 15.170 14.657 -7.118 1.00 2.03 H new ATOM 0 HD13 LEU A 121 14.902 14.712 -5.360 1.00 2.03 H new ATOM 0 HD21 LEU A 121 11.885 14.168 -5.436 1.00 1.80 H new ATOM 0 HD22 LEU A 121 12.685 15.418 -4.454 1.00 1.80 H new ATOM 0 HD23 LEU A 121 11.370 15.866 -5.566 1.00 1.80 H new ATOM 518 N GLN A 122 15.615 19.226 -5.217 1.00 0.82 N ATOM 519 CA GLN A 122 16.905 19.969 -5.316 1.00 0.95 C ATOM 520 C GLN A 122 17.938 19.372 -4.355 1.00 1.04 C ATOM 521 O GLN A 122 19.129 19.482 -4.564 1.00 1.19 O ATOM 522 CB GLN A 122 16.568 21.405 -4.915 1.00 1.14 C ATOM 523 CG GLN A 122 17.143 22.372 -5.952 1.00 1.42 C ATOM 524 CD GLN A 122 17.507 23.693 -5.273 1.00 1.85 C ATOM 525 OE1 GLN A 122 17.723 23.737 -4.078 1.00 2.44 O ATOM 526 NE2 GLN A 122 17.585 24.780 -5.990 1.00 2.28 N ATOM 0 H GLN A 122 14.782 19.810 -5.151 1.00 0.82 H new ATOM 0 HA GLN A 122 17.335 19.915 -6.316 1.00 0.95 H new ATOM 0 HB2 GLN A 122 15.488 21.530 -4.845 1.00 1.14 H new ATOM 0 HB3 GLN A 122 16.979 21.625 -3.930 1.00 1.14 H new ATOM 0 HG2 GLN A 122 18.026 21.937 -6.420 1.00 1.42 H new ATOM 0 HG3 GLN A 122 16.415 22.547 -6.744 1.00 1.42 H new ATOM 0 HE21 GLN A 122 17.404 24.743 -6.993 1.00 2.28 H new ATOM 0 HE22 GLN A 122 17.827 25.667 -5.548 1.00 2.28 H new ATOM 535 N ALA A 123 17.489 18.742 -3.304 1.00 1.09 N ATOM 536 CA ALA A 123 18.445 18.138 -2.331 1.00 1.33 C ATOM 537 C ALA A 123 19.276 17.047 -3.011 1.00 1.38 C ATOM 538 O ALA A 123 20.266 16.585 -2.479 1.00 1.62 O ATOM 539 CB ALA A 123 17.564 17.537 -1.235 1.00 1.45 C ATOM 0 H ALA A 123 16.502 18.619 -3.076 1.00 1.09 H new ATOM 0 HA ALA A 123 19.149 18.870 -1.934 1.00 1.33 H new ATOM 0 HB1 ALA A 123 18.193 17.071 -0.477 1.00 1.45 H new ATOM 0 HB2 ALA A 123 16.966 18.324 -0.776 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.904 16.787 -1.670 1.00 1.45 H new ATOM 545 N THR A 124 18.881 16.631 -4.183 1.00 1.29 N ATOM 546 CA THR A 124 19.648 15.570 -4.895 1.00 1.47 C ATOM 547 C THR A 124 20.272 16.138 -6.173 1.00 1.44 C ATOM 548 O THR A 124 20.887 15.428 -6.944 1.00 1.72 O ATOM 549 CB THR A 124 18.615 14.494 -5.234 1.00 1.56 C ATOM 550 OG1 THR A 124 17.669 15.021 -6.153 1.00 2.16 O ATOM 551 CG2 THR A 124 17.898 14.050 -3.958 1.00 1.92 C ATOM 0 H THR A 124 18.060 16.980 -4.678 1.00 1.29 H new ATOM 0 HA THR A 124 20.465 15.174 -4.291 1.00 1.47 H new ATOM 0 HB THR A 124 19.118 13.636 -5.681 1.00 1.56 H new ATOM 0 HG1 THR A 124 17.096 15.671 -5.696 1.00 2.16 H new ATOM 0 HG21 THR A 124 17.162 13.283 -4.202 1.00 1.92 H new ATOM 0 HG22 THR A 124 18.625 13.645 -3.254 1.00 1.92 H new ATOM 0 HG23 THR A 124 17.395 14.905 -3.507 1.00 1.92 H new ATOM 559 N GLY A 125 20.118 17.413 -6.404 1.00 1.26 N ATOM 560 CA GLY A 125 20.701 18.024 -7.632 1.00 1.32 C ATOM 561 C GLY A 125 19.749 17.807 -8.809 1.00 1.26 C ATOM 562 O GLY A 125 20.169 17.609 -9.931 1.00 1.63 O ATOM 0 H GLY A 125 19.614 18.058 -5.796 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.868 19.090 -7.477 1.00 1.32 H new ATOM 0 HA3 GLY A 125 21.672 17.577 -7.848 1.00 1.32 H new ATOM 566 N GLU A 126 18.468 17.839 -8.561 1.00 1.02 N ATOM 567 CA GLU A 126 17.489 17.629 -9.666 1.00 1.08 C ATOM 568 C GLU A 126 17.579 18.767 -10.686 1.00 0.89 C ATOM 569 O GLU A 126 16.674 19.567 -10.818 1.00 0.87 O ATOM 570 CB GLU A 126 16.118 17.623 -8.987 1.00 1.34 C ATOM 571 CG GLU A 126 15.796 19.025 -8.462 1.00 1.45 C ATOM 572 CD GLU A 126 14.629 19.612 -9.258 1.00 1.61 C ATOM 573 OE1 GLU A 126 13.612 18.945 -9.361 1.00 2.16 O ATOM 574 OE2 GLU A 126 14.771 20.719 -9.752 1.00 2.09 O ATOM 0 H GLU A 126 18.057 18.001 -7.642 1.00 1.02 H new ATOM 0 HA GLU A 126 17.679 16.704 -10.211 1.00 1.08 H new ATOM 0 HB2 GLU A 126 15.352 17.304 -9.694 1.00 1.34 H new ATOM 0 HB3 GLU A 126 16.111 16.906 -8.166 1.00 1.34 H new ATOM 0 HG2 GLU A 126 15.541 18.979 -7.403 1.00 1.45 H new ATOM 0 HG3 GLU A 126 16.671 19.668 -8.551 1.00 1.45 H new ATOM 581 N THR A 127 18.660 18.845 -11.416 1.00 1.09 N ATOM 582 CA THR A 127 18.791 19.931 -12.430 1.00 1.21 C ATOM 583 C THR A 127 17.866 19.643 -13.615 1.00 1.29 C ATOM 584 O THR A 127 18.222 18.935 -14.536 1.00 1.60 O ATOM 585 CB THR A 127 20.256 19.889 -12.872 1.00 1.57 C ATOM 586 OG1 THR A 127 20.541 18.615 -13.432 1.00 1.91 O ATOM 587 CG2 THR A 127 21.165 20.135 -11.667 1.00 2.18 C ATOM 0 H THR A 127 19.454 18.207 -11.355 1.00 1.09 H new ATOM 0 HA THR A 127 18.517 20.908 -12.033 1.00 1.21 H new ATOM 0 HB THR A 127 20.433 20.664 -13.618 1.00 1.57 H new ATOM 0 HG1 THR A 127 19.841 18.376 -14.075 1.00 1.91 H new ATOM 0 HG21 THR A 127 22.207 20.104 -11.985 1.00 2.18 H new ATOM 0 HG22 THR A 127 20.945 21.113 -11.239 1.00 2.18 H new ATOM 0 HG23 THR A 127 20.992 19.363 -10.917 1.00 2.18 H new ATOM 595 N ILE A 128 16.679 20.183 -13.595 1.00 1.08 N ATOM 596 CA ILE A 128 15.729 19.935 -14.717 1.00 1.20 C ATOM 597 C ILE A 128 15.023 21.235 -15.113 1.00 1.18 C ATOM 598 O ILE A 128 14.998 22.192 -14.365 1.00 1.15 O ATOM 599 CB ILE A 128 14.727 18.923 -14.162 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.590 18.723 -15.166 1.00 1.32 C ATOM 601 CG2 ILE A 128 14.157 19.443 -12.842 1.00 1.62 C ATOM 602 CD1 ILE A 128 13.019 17.312 -15.017 1.00 2.03 C ATOM 0 H ILE A 128 16.325 20.785 -12.851 1.00 1.08 H new ATOM 0 HA ILE A 128 16.230 19.566 -15.612 1.00 1.20 H new ATOM 0 HB ILE A 128 15.230 17.971 -13.992 1.00 1.12 H new ATOM 0 HG12 ILE A 128 12.808 19.463 -14.997 1.00 1.32 H new ATOM 0 HG13 ILE A 128 13.957 18.873 -16.181 1.00 1.32 H new ATOM 0 HG21 ILE A 128 13.442 18.722 -12.445 1.00 1.62 H new ATOM 0 HG22 ILE A 128 14.967 19.583 -12.126 1.00 1.62 H new ATOM 0 HG23 ILE A 128 13.655 20.395 -13.013 1.00 1.62 H new ATOM 0 HD11 ILE A 128 12.209 17.170 -15.732 1.00 2.03 H new ATOM 0 HD12 ILE A 128 13.804 16.580 -15.207 1.00 2.03 H new ATOM 0 HD13 ILE A 128 12.637 17.179 -14.005 1.00 2.03 H new ATOM 614 N THR A 129 14.447 21.275 -16.284 1.00 1.34 N ATOM 615 CA THR A 129 13.739 22.511 -16.728 1.00 1.42 C ATOM 616 C THR A 129 12.477 22.725 -15.889 1.00 1.16 C ATOM 617 O THR A 129 11.812 21.785 -15.501 1.00 0.97 O ATOM 618 CB THR A 129 13.372 22.250 -18.190 1.00 1.64 C ATOM 619 OG1 THR A 129 12.902 20.916 -18.326 1.00 2.23 O ATOM 620 CG2 THR A 129 14.605 22.452 -19.072 1.00 2.28 C ATOM 0 H THR A 129 14.436 20.505 -16.953 1.00 1.34 H new ATOM 0 HA THR A 129 14.353 23.405 -16.614 1.00 1.42 H new ATOM 0 HB THR A 129 12.591 22.945 -18.499 1.00 1.64 H new ATOM 0 HG1 THR A 129 12.664 20.747 -19.262 1.00 2.23 H new ATOM 0 HG21 THR A 129 14.342 22.266 -20.113 1.00 2.28 H new ATOM 0 HG22 THR A 129 14.964 23.476 -18.966 1.00 2.28 H new ATOM 0 HG23 THR A 129 15.389 21.759 -18.766 1.00 2.28 H new ATOM 628 N GLU A 130 12.140 23.954 -15.605 1.00 1.31 N ATOM 629 CA GLU A 130 10.919 24.220 -14.792 1.00 1.28 C ATOM 630 C GLU A 130 9.670 23.772 -15.556 1.00 1.16 C ATOM 631 O GLU A 130 8.638 23.501 -14.975 1.00 1.21 O ATOM 632 CB GLU A 130 10.910 25.735 -14.572 1.00 1.69 C ATOM 633 CG GLU A 130 10.441 26.442 -15.847 1.00 2.05 C ATOM 634 CD GLU A 130 11.035 27.851 -15.897 1.00 2.43 C ATOM 635 OE1 GLU A 130 12.118 27.997 -16.439 1.00 2.70 O ATOM 636 OE2 GLU A 130 10.396 28.761 -15.394 1.00 3.03 O ATOM 0 H GLU A 130 12.656 24.783 -15.900 1.00 1.31 H new ATOM 0 HA GLU A 130 10.922 23.676 -13.847 1.00 1.28 H new ATOM 0 HB2 GLU A 130 10.250 25.987 -13.742 1.00 1.69 H new ATOM 0 HB3 GLU A 130 11.908 26.078 -14.301 1.00 1.69 H new ATOM 0 HG2 GLU A 130 10.750 25.874 -16.725 1.00 2.05 H new ATOM 0 HG3 GLU A 130 9.352 26.494 -15.867 1.00 2.05 H new ATOM 643 N ASP A 131 9.758 23.689 -16.855 1.00 1.18 N ATOM 644 CA ASP A 131 8.579 23.255 -17.657 1.00 1.19 C ATOM 645 C ASP A 131 8.295 21.769 -17.416 1.00 1.07 C ATOM 646 O ASP A 131 7.212 21.284 -17.679 1.00 1.14 O ATOM 647 CB ASP A 131 8.980 23.496 -19.112 1.00 1.44 C ATOM 648 CG ASP A 131 8.537 24.896 -19.540 1.00 1.48 C ATOM 649 OD1 ASP A 131 8.892 25.843 -18.859 1.00 2.07 O ATOM 650 OD2 ASP A 131 7.850 24.997 -20.543 1.00 1.91 O ATOM 0 H ASP A 131 10.596 23.903 -17.396 1.00 1.18 H new ATOM 0 HA ASP A 131 7.673 23.799 -17.389 1.00 1.19 H new ATOM 0 HB2 ASP A 131 10.060 23.395 -19.224 1.00 1.44 H new ATOM 0 HB3 ASP A 131 8.521 22.745 -19.756 1.00 1.44 H new ATOM 655 N ASP A 132 9.259 21.043 -16.917 1.00 1.00 N ATOM 656 CA ASP A 132 9.041 19.590 -16.659 1.00 1.03 C ATOM 657 C ASP A 132 8.374 19.392 -15.295 1.00 0.88 C ATOM 658 O ASP A 132 7.653 18.439 -15.078 1.00 1.03 O ATOM 659 CB ASP A 132 10.439 18.970 -16.667 1.00 1.13 C ATOM 660 CG ASP A 132 10.395 17.621 -17.388 1.00 1.39 C ATOM 661 OD1 ASP A 132 10.524 17.616 -18.601 1.00 1.79 O ATOM 662 OD2 ASP A 132 10.233 16.616 -16.715 1.00 1.99 O ATOM 0 H ASP A 132 10.187 21.392 -16.677 1.00 1.00 H new ATOM 0 HA ASP A 132 8.389 19.132 -17.403 1.00 1.03 H new ATOM 0 HB2 ASP A 132 11.142 19.638 -17.165 1.00 1.13 H new ATOM 0 HB3 ASP A 132 10.795 18.837 -15.645 1.00 1.13 H new ATOM 667 N ILE A 133 8.607 20.287 -14.375 1.00 0.75 N ATOM 668 CA ILE A 133 7.983 20.150 -13.028 1.00 0.77 C ATOM 669 C ILE A 133 6.466 19.990 -13.162 1.00 0.70 C ATOM 670 O ILE A 133 5.860 19.154 -12.521 1.00 0.82 O ATOM 671 CB ILE A 133 8.320 21.453 -12.303 1.00 0.87 C ATOM 672 CG1 ILE A 133 9.839 21.591 -12.179 1.00 0.96 C ATOM 673 CG2 ILE A 133 7.694 21.437 -10.907 1.00 1.06 C ATOM 674 CD1 ILE A 133 10.406 20.372 -11.451 1.00 1.00 C ATOM 0 H ILE A 133 9.202 21.107 -14.497 1.00 0.75 H new ATOM 0 HA ILE A 133 8.349 19.276 -12.490 1.00 0.77 H new ATOM 0 HB ILE A 133 7.924 22.296 -12.869 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.288 21.678 -13.168 1.00 0.96 H new ATOM 0 HG13 ILE A 133 10.088 22.501 -11.634 1.00 0.96 H new ATOM 0 HG21 ILE A 133 7.934 22.366 -10.390 1.00 1.06 H new ATOM 0 HG22 ILE A 133 6.612 21.340 -10.995 1.00 1.06 H new ATOM 0 HG23 ILE A 133 8.089 20.594 -10.341 1.00 1.06 H new ATOM 0 HD11 ILE A 133 11.488 20.471 -11.363 1.00 1.00 H new ATOM 0 HD12 ILE A 133 9.966 20.305 -10.456 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.169 19.469 -12.014 1.00 1.00 H new ATOM 686 N GLU A 134 5.850 20.789 -13.989 1.00 0.61 N ATOM 687 CA GLU A 134 4.373 20.691 -14.166 1.00 0.64 C ATOM 688 C GLU A 134 3.955 19.235 -14.396 1.00 0.64 C ATOM 689 O GLU A 134 2.931 18.791 -13.917 1.00 0.76 O ATOM 690 CB GLU A 134 4.068 21.537 -15.403 1.00 0.73 C ATOM 691 CG GLU A 134 4.284 23.016 -15.076 1.00 0.89 C ATOM 692 CD GLU A 134 3.860 23.872 -16.272 1.00 1.21 C ATOM 693 OE1 GLU A 134 4.004 23.406 -17.390 1.00 1.87 O ATOM 694 OE2 GLU A 134 3.401 24.980 -16.049 1.00 1.86 O ATOM 0 H GLU A 134 6.307 21.507 -14.551 1.00 0.61 H new ATOM 0 HA GLU A 134 3.830 21.038 -13.287 1.00 0.64 H new ATOM 0 HB2 GLU A 134 4.713 21.238 -16.229 1.00 0.73 H new ATOM 0 HB3 GLU A 134 3.040 21.371 -15.726 1.00 0.73 H new ATOM 0 HG2 GLU A 134 3.706 23.292 -14.194 1.00 0.89 H new ATOM 0 HG3 GLU A 134 5.332 23.197 -14.839 1.00 0.89 H new ATOM 701 N GLU A 135 4.736 18.488 -15.128 1.00 0.59 N ATOM 702 CA GLU A 135 4.373 17.064 -15.389 1.00 0.67 C ATOM 703 C GLU A 135 4.281 16.285 -14.073 1.00 0.74 C ATOM 704 O GLU A 135 3.480 15.383 -13.931 1.00 0.91 O ATOM 705 CB GLU A 135 5.505 16.518 -16.261 1.00 0.72 C ATOM 706 CG GLU A 135 5.095 16.597 -17.732 1.00 1.16 C ATOM 707 CD GLU A 135 6.343 16.753 -18.603 1.00 1.56 C ATOM 708 OE1 GLU A 135 7.341 17.234 -18.092 1.00 2.29 O ATOM 709 OE2 GLU A 135 6.280 16.389 -19.765 1.00 2.03 O ATOM 0 H GLU A 135 5.608 18.800 -15.556 1.00 0.59 H new ATOM 0 HA GLU A 135 3.403 16.971 -15.877 1.00 0.67 H new ATOM 0 HB2 GLU A 135 6.417 17.092 -16.095 1.00 0.72 H new ATOM 0 HB3 GLU A 135 5.724 15.486 -15.988 1.00 0.72 H new ATOM 0 HG2 GLU A 135 4.550 15.697 -18.017 1.00 1.16 H new ATOM 0 HG3 GLU A 135 4.422 17.440 -17.888 1.00 1.16 H new ATOM 716 N LEU A 136 5.093 16.625 -13.109 1.00 0.73 N ATOM 717 CA LEU A 136 5.046 15.901 -11.805 1.00 0.87 C ATOM 718 C LEU A 136 3.903 16.440 -10.941 1.00 0.81 C ATOM 719 O LEU A 136 3.549 15.862 -9.933 1.00 1.00 O ATOM 720 CB LEU A 136 6.394 16.187 -11.144 1.00 0.99 C ATOM 721 CG LEU A 136 7.491 15.391 -11.852 1.00 1.09 C ATOM 722 CD1 LEU A 136 8.636 16.330 -12.236 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.017 14.305 -10.911 1.00 1.75 C ATOM 0 H LEU A 136 5.786 17.371 -13.167 1.00 0.73 H new ATOM 0 HA LEU A 136 4.872 14.833 -11.933 1.00 0.87 H new ATOM 0 HB2 LEU A 136 6.615 17.253 -11.192 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.358 15.917 -10.089 1.00 0.99 H new ATOM 0 HG LEU A 136 7.083 14.929 -12.751 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.418 15.763 -12.741 1.00 1.74 H new ATOM 0 HD12 LEU A 136 8.262 17.106 -12.904 1.00 1.74 H new ATOM 0 HD13 LEU A 136 9.045 16.791 -11.337 1.00 1.74 H new ATOM 0 HD21 LEU A 136 8.799 13.736 -11.413 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.425 14.768 -10.013 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.202 13.636 -10.636 1.00 1.75 H new ATOM 735 N MET A 137 3.326 17.544 -11.328 1.00 0.67 N ATOM 736 CA MET A 137 2.209 18.122 -10.527 1.00 0.71 C ATOM 737 C MET A 137 0.954 17.256 -10.662 1.00 0.68 C ATOM 738 O MET A 137 0.142 17.177 -9.761 1.00 0.70 O ATOM 739 CB MET A 137 1.970 19.508 -11.127 1.00 0.82 C ATOM 740 CG MET A 137 1.988 20.556 -10.013 1.00 0.99 C ATOM 741 SD MET A 137 0.288 20.968 -9.547 1.00 0.94 S ATOM 742 CE MET A 137 0.636 21.485 -7.847 1.00 0.53 C ATOM 0 H MET A 137 3.579 18.071 -12.164 1.00 0.67 H new ATOM 0 HA MET A 137 2.446 18.171 -9.464 1.00 0.71 H new ATOM 0 HB2 MET A 137 2.739 19.734 -11.866 1.00 0.82 H new ATOM 0 HB3 MET A 137 1.012 19.531 -11.647 1.00 0.82 H new ATOM 0 HG2 MET A 137 2.531 20.174 -9.149 1.00 0.99 H new ATOM 0 HG3 MET A 137 2.512 21.451 -10.349 1.00 0.99 H new ATOM 0 HE1 MET A 137 0.095 20.841 -7.153 1.00 0.53 H new ATOM 0 HE2 MET A 137 1.706 21.407 -7.655 1.00 0.53 H new ATOM 0 HE3 MET A 137 0.316 22.518 -7.708 1.00 0.53 H new ATOM 752 N LYS A 138 0.787 16.607 -11.782 1.00 0.76 N ATOM 753 CA LYS A 138 -0.417 15.748 -11.975 1.00 0.82 C ATOM 754 C LYS A 138 -0.347 14.521 -11.062 1.00 0.72 C ATOM 755 O LYS A 138 -1.336 14.100 -10.495 1.00 0.84 O ATOM 756 CB LYS A 138 -0.368 15.326 -13.444 1.00 0.99 C ATOM 757 CG LYS A 138 -1.163 16.323 -14.291 1.00 1.57 C ATOM 758 CD LYS A 138 -0.237 16.976 -15.320 1.00 2.09 C ATOM 759 CE LYS A 138 -0.932 17.014 -16.683 1.00 2.74 C ATOM 760 NZ LYS A 138 -0.704 18.395 -17.192 1.00 3.43 N ATOM 0 H LYS A 138 1.432 16.634 -12.572 1.00 0.76 H new ATOM 0 HA LYS A 138 -1.341 16.272 -11.730 1.00 0.82 H new ATOM 0 HB2 LYS A 138 0.666 15.285 -13.787 1.00 0.99 H new ATOM 0 HB3 LYS A 138 -0.782 14.324 -13.559 1.00 0.99 H new ATOM 0 HG2 LYS A 138 -1.983 15.813 -14.797 1.00 1.57 H new ATOM 0 HG3 LYS A 138 -1.608 17.085 -13.651 1.00 1.57 H new ATOM 0 HD2 LYS A 138 0.020 17.987 -15.003 1.00 2.09 H new ATOM 0 HD3 LYS A 138 0.696 16.417 -15.391 1.00 2.09 H new ATOM 0 HE2 LYS A 138 -0.514 16.269 -17.360 1.00 2.74 H new ATOM 0 HE3 LYS A 138 -1.996 16.798 -16.590 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 -1.152 18.499 -18.125 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 -1.119 19.082 -16.530 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 0.318 18.569 -17.277 1.00 3.43 H new ATOM 774 N ASP A 139 0.813 13.942 -10.919 1.00 0.75 N ATOM 775 CA ASP A 139 0.945 12.740 -10.046 1.00 0.78 C ATOM 776 C ASP A 139 0.541 13.077 -8.608 1.00 0.70 C ATOM 777 O ASP A 139 -0.035 12.267 -7.909 1.00 0.81 O ATOM 778 CB ASP A 139 2.426 12.366 -10.111 1.00 0.97 C ATOM 779 CG ASP A 139 2.811 12.055 -11.559 1.00 1.16 C ATOM 780 OD1 ASP A 139 2.059 12.429 -12.444 1.00 1.69 O ATOM 781 OD2 ASP A 139 3.850 11.448 -11.758 1.00 1.66 O ATOM 0 H ASP A 139 1.676 14.249 -11.369 1.00 0.75 H new ATOM 0 HA ASP A 139 0.301 11.923 -10.371 1.00 0.78 H new ATOM 0 HB2 ASP A 139 3.036 13.185 -9.729 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.622 11.501 -9.478 1.00 0.97 H new ATOM 786 N GLY A 140 0.843 14.264 -8.159 1.00 0.64 N ATOM 787 CA GLY A 140 0.479 14.650 -6.766 1.00 0.62 C ATOM 788 C GLY A 140 -0.781 15.517 -6.785 1.00 0.57 C ATOM 789 O GLY A 140 -1.523 15.569 -5.824 1.00 0.65 O ATOM 0 H GLY A 140 1.326 14.984 -8.696 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.309 13.758 -6.163 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.301 15.196 -6.303 1.00 0.62 H new ATOM 793 N ASP A 141 -1.028 16.199 -7.869 1.00 0.56 N ATOM 794 CA ASP A 141 -2.241 17.065 -7.946 1.00 0.56 C ATOM 795 C ASP A 141 -3.041 16.749 -9.212 1.00 0.58 C ATOM 796 O ASP A 141 -2.960 17.453 -10.199 1.00 0.64 O ATOM 797 CB ASP A 141 -1.703 18.496 -7.998 1.00 0.60 C ATOM 798 CG ASP A 141 -2.578 19.404 -7.131 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.677 18.992 -6.797 1.00 1.14 O ATOM 800 OD2 ASP A 141 -2.135 20.496 -6.818 1.00 1.23 O ATOM 0 H ASP A 141 -0.444 16.195 -8.705 1.00 0.56 H new ATOM 0 HA ASP A 141 -2.911 16.910 -7.101 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.672 18.521 -7.644 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -1.696 18.856 -9.027 1.00 0.60 H new ATOM 805 N LYS A 142 -3.816 15.700 -9.192 1.00 0.62 N ATOM 806 CA LYS A 142 -4.621 15.349 -10.397 1.00 0.70 C ATOM 807 C LYS A 142 -5.668 16.435 -10.661 1.00 0.79 C ATOM 808 O LYS A 142 -6.253 16.503 -11.723 1.00 0.92 O ATOM 809 CB LYS A 142 -5.297 14.022 -10.049 1.00 0.79 C ATOM 810 CG LYS A 142 -4.805 12.931 -11.003 1.00 0.88 C ATOM 811 CD LYS A 142 -6.005 12.267 -11.680 1.00 1.37 C ATOM 812 CE LYS A 142 -6.003 12.606 -13.174 1.00 1.79 C ATOM 813 NZ LYS A 142 -5.318 11.458 -13.832 1.00 2.44 N ATOM 0 H LYS A 142 -3.927 15.072 -8.396 1.00 0.62 H new ATOM 0 HA LYS A 142 -4.011 15.269 -11.297 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -5.072 13.747 -9.019 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -6.380 14.123 -10.123 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -4.142 13.361 -11.754 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -4.226 12.188 -10.455 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -5.962 11.187 -11.542 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -6.931 12.611 -11.220 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -7.018 12.728 -13.552 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -5.477 13.541 -13.365 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -5.279 11.619 -14.859 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -4.351 11.370 -13.458 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -5.845 10.582 -13.639 1.00 2.44 H new ATOM 827 N ASN A 143 -5.904 17.286 -9.700 1.00 0.80 N ATOM 828 CA ASN A 143 -6.910 18.370 -9.893 1.00 0.95 C ATOM 829 C ASN A 143 -6.249 19.591 -10.539 1.00 0.92 C ATOM 830 O ASN A 143 -6.911 20.531 -10.934 1.00 1.08 O ATOM 831 CB ASN A 143 -7.404 18.709 -8.486 1.00 1.07 C ATOM 832 CG ASN A 143 -8.105 17.490 -7.883 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.822 16.787 -8.567 1.00 1.95 O ATOM 834 ND2 ASN A 143 -7.928 17.208 -6.621 1.00 1.70 N ATOM 0 H ASN A 143 -5.444 17.278 -8.790 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.727 18.065 -10.547 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -6.565 19.008 -7.857 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -8.091 19.555 -8.524 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -8.391 16.398 -6.210 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -7.326 17.798 -6.046 1.00 1.70 H new ATOM 841 N ASN A 144 -4.949 19.584 -10.649 1.00 0.86 N ATOM 842 CA ASN A 144 -4.246 20.745 -11.268 1.00 0.93 C ATOM 843 C ASN A 144 -4.781 22.055 -10.685 1.00 1.03 C ATOM 844 O ASN A 144 -4.936 23.038 -11.381 1.00 1.71 O ATOM 845 CB ASN A 144 -4.563 20.652 -12.761 1.00 1.08 C ATOM 846 CG ASN A 144 -3.257 20.641 -13.559 1.00 1.49 C ATOM 847 OD1 ASN A 144 -2.497 19.696 -13.490 1.00 2.18 O ATOM 848 ND2 ASN A 144 -2.963 21.660 -14.321 1.00 1.97 N ATOM 0 H ASN A 144 -4.343 18.825 -10.337 1.00 0.86 H new ATOM 0 HA ASN A 144 -3.173 20.727 -11.080 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -5.135 19.747 -12.967 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -5.181 21.496 -13.066 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -2.096 21.662 -14.858 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -3.601 22.454 -14.379 1.00 1.97 H new ATOM 855 N ASP A 145 -5.062 22.075 -9.411 1.00 0.88 N ATOM 856 CA ASP A 145 -5.585 23.322 -8.783 1.00 0.92 C ATOM 857 C ASP A 145 -4.423 24.208 -8.327 1.00 0.91 C ATOM 858 O ASP A 145 -4.604 25.362 -7.992 1.00 1.07 O ATOM 859 CB ASP A 145 -6.403 22.846 -7.581 1.00 0.93 C ATOM 860 CG ASP A 145 -5.480 22.155 -6.575 1.00 1.40 C ATOM 861 OD1 ASP A 145 -4.553 21.492 -7.011 1.00 2.06 O ATOM 862 OD2 ASP A 145 -5.716 22.300 -5.387 1.00 1.89 O ATOM 0 H ASP A 145 -4.952 21.283 -8.778 1.00 0.88 H new ATOM 0 HA ASP A 145 -6.185 23.915 -9.474 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -6.903 23.692 -7.110 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.182 22.157 -7.908 1.00 0.93 H new ATOM 867 N GLY A 146 -3.231 23.677 -8.312 1.00 0.84 N ATOM 868 CA GLY A 146 -2.059 24.489 -7.879 1.00 0.92 C ATOM 869 C GLY A 146 -1.745 24.194 -6.410 1.00 0.66 C ATOM 870 O GLY A 146 -0.792 24.705 -5.856 1.00 0.74 O ATOM 0 H GLY A 146 -3.018 22.716 -8.581 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -1.194 24.257 -8.500 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -2.270 25.550 -8.010 1.00 0.92 H new ATOM 874 N ARG A 147 -2.537 23.374 -5.773 1.00 0.56 N ATOM 875 CA ARG A 147 -2.277 23.052 -4.341 1.00 0.54 C ATOM 876 C ARG A 147 -2.166 21.537 -4.149 1.00 0.46 C ATOM 877 O ARG A 147 -2.980 20.777 -4.635 1.00 0.45 O ATOM 878 CB ARG A 147 -3.489 23.599 -3.585 1.00 0.77 C ATOM 879 CG ARG A 147 -3.147 23.731 -2.100 1.00 1.39 C ATOM 880 CD ARG A 147 -4.131 24.695 -1.434 1.00 1.79 C ATOM 881 NE ARG A 147 -3.433 26.011 -1.427 1.00 2.55 N ATOM 882 CZ ARG A 147 -4.042 27.074 -0.978 1.00 2.87 C ATOM 883 NH1 ARG A 147 -5.265 26.990 -0.526 1.00 3.10 N ATOM 884 NH2 ARG A 147 -3.427 28.225 -0.978 1.00 3.37 N ATOM 0 H ARG A 147 -3.351 22.914 -6.181 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.343 23.486 -3.985 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -3.776 24.569 -3.991 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -4.343 22.934 -3.715 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -3.194 22.755 -1.617 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -2.127 24.096 -1.982 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -5.068 24.748 -1.988 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -4.376 24.373 -0.422 1.00 1.79 H new ATOM 0 HE ARG A 147 -2.476 26.081 -1.774 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -5.747 26.091 -0.523 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -5.738 27.823 -0.176 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -2.472 28.293 -1.329 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -3.902 29.057 -0.627 1.00 3.37 H new ATOM 898 N ILE A 148 -1.163 21.092 -3.441 1.00 0.49 N ATOM 899 CA ILE A 148 -0.999 19.627 -3.216 1.00 0.44 C ATOM 900 C ILE A 148 -1.006 19.321 -1.716 1.00 0.46 C ATOM 901 O ILE A 148 -0.177 19.804 -0.971 1.00 0.63 O ATOM 902 CB ILE A 148 0.360 19.282 -3.823 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.354 19.607 -5.318 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.643 17.791 -3.631 1.00 0.47 C ATOM 905 CD1 ILE A 148 1.700 19.212 -5.928 1.00 0.63 C ATOM 0 H ILE A 148 -0.450 21.680 -3.009 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.806 19.048 -3.665 1.00 0.44 H new ATOM 0 HB ILE A 148 1.134 19.868 -3.327 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.455 19.071 -5.815 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.171 20.671 -5.470 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.613 17.546 -4.064 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.652 17.556 -2.567 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.133 17.207 -4.125 1.00 0.47 H new ATOM 0 HD11 ILE A 148 1.698 19.443 -6.993 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.499 19.768 -5.438 1.00 0.63 H new ATOM 0 HD13 ILE A 148 1.863 18.143 -5.788 1.00 0.63 H new ATOM 917 N ASP A 149 -1.935 18.521 -1.266 1.00 0.48 N ATOM 918 CA ASP A 149 -1.990 18.187 0.186 1.00 0.53 C ATOM 919 C ASP A 149 -1.514 16.750 0.418 1.00 0.53 C ATOM 920 O ASP A 149 -1.075 16.078 -0.493 1.00 0.63 O ATOM 921 CB ASP A 149 -3.463 18.331 0.570 1.00 0.58 C ATOM 922 CG ASP A 149 -4.315 17.426 -0.321 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.669 17.859 -1.406 1.00 1.65 O ATOM 924 OD2 ASP A 149 -4.599 16.315 0.096 1.00 1.84 O ATOM 0 H ASP A 149 -2.657 18.085 -1.840 1.00 0.48 H new ATOM 0 HA ASP A 149 -1.347 18.834 0.782 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -3.604 18.065 1.617 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -3.778 19.368 0.460 1.00 0.58 H new ATOM 929 N TYR A 150 -1.599 16.275 1.631 1.00 0.58 N ATOM 930 CA TYR A 150 -1.151 14.882 1.918 1.00 0.60 C ATOM 931 C TYR A 150 -2.009 13.881 1.138 1.00 0.59 C ATOM 932 O TYR A 150 -1.525 13.171 0.279 1.00 0.63 O ATOM 933 CB TYR A 150 -1.349 14.702 3.426 1.00 0.73 C ATOM 934 CG TYR A 150 -1.024 13.278 3.828 1.00 0.72 C ATOM 935 CD1 TYR A 150 -0.369 12.420 2.932 1.00 1.15 C ATOM 936 CD2 TYR A 150 -1.379 12.817 5.102 1.00 1.22 C ATOM 937 CE1 TYR A 150 -0.072 11.105 3.311 1.00 1.43 C ATOM 938 CE2 TYR A 150 -1.081 11.501 5.479 1.00 1.56 C ATOM 939 CZ TYR A 150 -0.428 10.646 4.584 1.00 1.48 C ATOM 940 OH TYR A 150 -0.133 9.350 4.956 1.00 1.96 O ATOM 0 H TYR A 150 -1.959 16.790 2.435 1.00 0.58 H new ATOM 0 HA TYR A 150 -0.116 14.711 1.622 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -0.709 15.397 3.970 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -2.378 14.938 3.696 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -0.094 12.774 1.949 1.00 1.15 H new ATOM 0 HD2 TYR A 150 -1.882 13.476 5.794 1.00 1.22 H new ATOM 0 HE1 TYR A 150 0.432 10.445 2.621 1.00 1.43 H new ATOM 0 HE2 TYR A 150 -1.356 11.146 6.461 1.00 1.56 H new ATOM 0 HH TYR A 150 -0.447 9.193 5.871 1.00 1.96 H new ATOM 950 N ASP A 151 -3.279 13.821 1.431 1.00 0.64 N ATOM 951 CA ASP A 151 -4.170 12.869 0.707 1.00 0.70 C ATOM 952 C ASP A 151 -3.846 12.874 -0.790 1.00 0.63 C ATOM 953 O ASP A 151 -3.910 11.857 -1.452 1.00 0.77 O ATOM 954 CB ASP A 151 -5.586 13.392 0.948 1.00 0.79 C ATOM 955 CG ASP A 151 -6.373 12.375 1.777 1.00 1.24 C ATOM 956 OD1 ASP A 151 -6.015 11.210 1.743 1.00 1.90 O ATOM 957 OD2 ASP A 151 -7.320 12.780 2.431 1.00 1.83 O ATOM 0 H ASP A 151 -3.739 14.390 2.141 1.00 0.64 H new ATOM 0 HA ASP A 151 -4.048 11.843 1.055 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -5.548 14.349 1.468 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -6.087 13.567 -0.004 1.00 0.79 H new ATOM 962 N GLU A 152 -3.500 14.011 -1.328 1.00 0.54 N ATOM 963 CA GLU A 152 -3.176 14.080 -2.781 1.00 0.56 C ATOM 964 C GLU A 152 -1.701 13.738 -3.012 1.00 0.52 C ATOM 965 O GLU A 152 -1.305 13.362 -4.098 1.00 0.65 O ATOM 966 CB GLU A 152 -3.463 15.527 -3.181 1.00 0.60 C ATOM 967 CG GLU A 152 -4.937 15.664 -3.569 1.00 0.77 C ATOM 968 CD GLU A 152 -5.135 16.946 -4.382 1.00 0.72 C ATOM 969 OE1 GLU A 152 -4.164 17.422 -4.946 1.00 1.40 O ATOM 970 OE2 GLU A 152 -6.255 17.428 -4.426 1.00 1.17 O ATOM 0 H GLU A 152 -3.428 14.895 -0.825 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.759 13.372 -3.369 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.229 16.198 -2.354 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.827 15.818 -4.017 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -5.252 14.799 -4.152 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.559 15.689 -2.674 1.00 0.77 H new ATOM 977 N PHE A 153 -0.886 13.863 -2.001 1.00 0.46 N ATOM 978 CA PHE A 153 0.560 13.541 -2.166 1.00 0.46 C ATOM 979 C PHE A 153 0.737 12.055 -2.486 1.00 0.50 C ATOM 980 O PHE A 153 1.551 11.679 -3.306 1.00 0.64 O ATOM 981 CB PHE A 153 1.198 13.879 -0.818 1.00 0.49 C ATOM 982 CG PHE A 153 2.700 13.805 -0.939 1.00 0.48 C ATOM 983 CD1 PHE A 153 3.409 14.864 -1.519 1.00 0.62 C ATOM 984 CD2 PHE A 153 3.386 12.677 -0.472 1.00 0.52 C ATOM 985 CE1 PHE A 153 4.803 14.795 -1.632 1.00 0.73 C ATOM 986 CE2 PHE A 153 4.779 12.608 -0.584 1.00 0.61 C ATOM 987 CZ PHE A 153 5.488 13.667 -1.164 1.00 0.68 C ATOM 0 H PHE A 153 -1.158 14.174 -1.068 1.00 0.46 H new ATOM 0 HA PHE A 153 1.017 14.099 -2.984 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.897 14.878 -0.501 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.849 13.184 -0.054 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.881 15.734 -1.879 1.00 0.62 H new ATOM 0 HD2 PHE A 153 2.839 11.860 -0.025 1.00 0.52 H new ATOM 0 HE1 PHE A 153 5.350 15.612 -2.080 1.00 0.73 H new ATOM 0 HE2 PHE A 153 5.307 11.738 -0.223 1.00 0.61 H new ATOM 0 HZ PHE A 153 6.563 13.614 -1.250 1.00 0.68 H new ATOM 997 N LEU A 154 -0.023 11.208 -1.848 1.00 0.53 N ATOM 998 CA LEU A 154 0.100 9.747 -2.118 1.00 0.62 C ATOM 999 C LEU A 154 0.038 9.484 -3.624 1.00 0.65 C ATOM 1000 O LEU A 154 0.884 8.814 -4.182 1.00 0.83 O ATOM 1001 CB LEU A 154 -1.099 9.114 -1.412 1.00 0.75 C ATOM 1002 CG LEU A 154 -0.921 9.238 0.101 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -2.000 8.420 0.812 1.00 1.65 C ATOM 1004 CD2 LEU A 154 0.460 8.709 0.494 1.00 1.20 C ATOM 0 H LEU A 154 -0.723 11.464 -1.152 1.00 0.53 H new ATOM 0 HA LEU A 154 1.045 9.337 -1.762 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -2.020 9.607 -1.723 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -1.189 8.065 -1.694 1.00 0.75 H new ATOM 0 HG LEU A 154 -1.009 10.285 0.393 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -1.872 8.509 1.891 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -2.984 8.794 0.531 1.00 1.65 H new ATOM 0 HD13 LEU A 154 -1.913 7.373 0.522 1.00 1.65 H new ATOM 0 HD21 LEU A 154 0.590 8.796 1.573 1.00 1.20 H new ATOM 0 HD22 LEU A 154 0.545 7.662 0.202 1.00 1.20 H new ATOM 0 HD23 LEU A 154 1.230 9.291 -0.012 1.00 1.20 H new ATOM 1016 N GLU A 155 -0.957 10.010 -4.288 1.00 0.69 N ATOM 1017 CA GLU A 155 -1.068 9.791 -5.758 1.00 0.81 C ATOM 1018 C GLU A 155 0.287 10.037 -6.425 1.00 0.76 C ATOM 1019 O GLU A 155 0.597 9.470 -7.454 1.00 0.90 O ATOM 1020 CB GLU A 155 -2.097 10.816 -6.237 1.00 0.97 C ATOM 1021 CG GLU A 155 -2.706 10.347 -7.560 1.00 1.41 C ATOM 1022 CD GLU A 155 -3.901 11.233 -7.918 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -3.995 12.318 -7.366 1.00 2.57 O ATOM 1024 OE2 GLU A 155 -4.701 10.812 -8.737 1.00 2.77 O ATOM 0 H GLU A 155 -1.696 10.580 -3.876 1.00 0.69 H new ATOM 0 HA GLU A 155 -1.367 8.772 -6.005 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -2.879 10.940 -5.488 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -1.624 11.789 -6.367 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -1.958 10.390 -8.352 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -3.023 9.307 -7.478 1.00 1.41 H new ATOM 1031 N PHE A 156 1.098 10.876 -5.842 1.00 0.66 N ATOM 1032 CA PHE A 156 2.434 11.159 -6.437 1.00 0.77 C ATOM 1033 C PHE A 156 3.279 9.882 -6.463 1.00 0.71 C ATOM 1034 O PHE A 156 4.025 9.638 -7.390 1.00 0.88 O ATOM 1035 CB PHE A 156 3.063 12.202 -5.512 1.00 0.84 C ATOM 1036 CG PHE A 156 4.357 12.694 -6.113 1.00 1.01 C ATOM 1037 CD1 PHE A 156 4.334 13.527 -7.238 1.00 1.49 C ATOM 1038 CD2 PHE A 156 5.580 12.321 -5.543 1.00 1.09 C ATOM 1039 CE1 PHE A 156 5.534 13.986 -7.794 1.00 1.72 C ATOM 1040 CE2 PHE A 156 6.780 12.779 -6.099 1.00 1.31 C ATOM 1041 CZ PHE A 156 6.757 13.612 -7.224 1.00 1.53 C ATOM 0 H PHE A 156 0.893 11.378 -4.978 1.00 0.66 H new ATOM 0 HA PHE A 156 2.365 11.515 -7.465 1.00 0.77 H new ATOM 0 HB2 PHE A 156 2.377 13.036 -5.367 1.00 0.84 H new ATOM 0 HB3 PHE A 156 3.248 11.768 -4.530 1.00 0.84 H new ATOM 0 HD1 PHE A 156 3.390 13.816 -7.677 1.00 1.49 H new ATOM 0 HD2 PHE A 156 5.598 11.680 -4.674 1.00 1.09 H new ATOM 0 HE1 PHE A 156 5.516 14.628 -8.662 1.00 1.72 H new ATOM 0 HE2 PHE A 156 7.724 12.490 -5.660 1.00 1.31 H new ATOM 0 HZ PHE A 156 7.683 13.966 -7.652 1.00 1.53 H new ATOM 1051 N MET A 157 3.164 9.064 -5.451 1.00 0.61 N ATOM 1052 CA MET A 157 3.957 7.802 -5.418 1.00 0.69 C ATOM 1053 C MET A 157 3.293 6.740 -6.299 1.00 0.83 C ATOM 1054 O MET A 157 3.940 5.841 -6.798 1.00 1.17 O ATOM 1055 CB MET A 157 3.950 7.366 -3.951 1.00 0.84 C ATOM 1056 CG MET A 157 4.369 8.542 -3.067 1.00 0.92 C ATOM 1057 SD MET A 157 5.706 8.023 -1.963 1.00 1.56 S ATOM 1058 CE MET A 157 6.929 9.245 -2.496 1.00 0.90 C ATOM 0 H MET A 157 2.556 9.215 -4.647 1.00 0.61 H new ATOM 0 HA MET A 157 4.970 7.940 -5.795 1.00 0.69 H new ATOM 0 HB2 MET A 157 2.956 7.021 -3.668 1.00 0.84 H new ATOM 0 HB3 MET A 157 4.632 6.528 -3.806 1.00 0.84 H new ATOM 0 HG2 MET A 157 4.698 9.377 -3.686 1.00 0.92 H new ATOM 0 HG3 MET A 157 3.518 8.894 -2.484 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.852 9.106 -1.933 1.00 0.90 H new ATOM 0 HE2 MET A 157 7.130 9.118 -3.560 1.00 0.90 H new ATOM 0 HE3 MET A 157 6.543 10.248 -2.317 1.00 0.90 H new ATOM 1068 N LYS A 158 2.007 6.839 -6.496 1.00 0.86 N ATOM 1069 CA LYS A 158 1.304 5.838 -7.349 1.00 1.07 C ATOM 1070 C LYS A 158 1.360 6.268 -8.817 1.00 1.36 C ATOM 1071 O LYS A 158 0.597 5.803 -9.640 1.00 1.73 O ATOM 1072 CB LYS A 158 -0.140 5.831 -6.847 1.00 1.28 C ATOM 1073 CG LYS A 158 -0.361 4.622 -5.934 1.00 1.66 C ATOM 1074 CD LYS A 158 -0.335 3.340 -6.768 1.00 2.24 C ATOM 1075 CE LYS A 158 -1.651 2.582 -6.581 1.00 2.85 C ATOM 1076 NZ LYS A 158 -1.252 1.238 -6.076 1.00 3.52 N ATOM 0 H LYS A 158 1.412 7.569 -6.104 1.00 0.86 H new ATOM 0 HA LYS A 158 1.759 4.850 -7.288 1.00 1.07 H new ATOM 0 HB2 LYS A 158 -0.351 6.752 -6.304 1.00 1.28 H new ATOM 0 HB3 LYS A 158 -0.829 5.793 -7.691 1.00 1.28 H new ATOM 0 HG2 LYS A 158 0.413 4.585 -5.168 1.00 1.66 H new ATOM 0 HG3 LYS A 158 -1.317 4.713 -5.418 1.00 1.66 H new ATOM 0 HD2 LYS A 158 -0.189 3.581 -7.821 1.00 2.24 H new ATOM 0 HD3 LYS A 158 0.504 2.714 -6.465 1.00 2.24 H new ATOM 0 HE2 LYS A 158 -2.303 3.092 -5.873 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -2.199 2.504 -7.520 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -2.102 0.658 -5.923 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -0.637 0.773 -6.774 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -0.738 1.343 -5.178 1.00 3.52 H new ATOM 1090 N GLY A 159 2.258 7.155 -9.150 1.00 1.73 N ATOM 1091 CA GLY A 159 2.362 7.616 -10.564 1.00 2.35 C ATOM 1092 C GLY A 159 3.831 7.636 -10.988 1.00 2.13 C ATOM 1093 O GLY A 159 4.189 8.211 -11.997 1.00 2.59 O ATOM 0 H GLY A 159 2.924 7.580 -8.505 1.00 1.73 H new ATOM 0 HA2 GLY A 159 1.793 6.953 -11.216 1.00 2.35 H new ATOM 0 HA3 GLY A 159 1.930 8.611 -10.666 1.00 2.35 H new ATOM 1097 N VAL A 160 4.686 7.010 -10.227 1.00 1.87 N ATOM 1098 CA VAL A 160 6.132 6.991 -10.588 1.00 1.87 C ATOM 1099 C VAL A 160 6.547 5.585 -11.031 1.00 2.39 C ATOM 1100 O VAL A 160 7.251 4.885 -10.330 1.00 3.11 O ATOM 1101 CB VAL A 160 6.864 7.388 -9.306 1.00 1.68 C ATOM 1102 CG1 VAL A 160 6.311 8.719 -8.793 1.00 1.89 C ATOM 1103 CG2 VAL A 160 6.651 6.307 -8.244 1.00 1.76 C ATOM 0 H VAL A 160 4.446 6.511 -9.371 1.00 1.87 H new ATOM 0 HA VAL A 160 6.362 7.664 -11.414 1.00 1.87 H new ATOM 0 HB VAL A 160 7.929 7.492 -9.513 1.00 1.68 H new ATOM 0 HG11 VAL A 160 6.833 9.002 -7.879 1.00 1.89 H new ATOM 0 HG12 VAL A 160 6.459 9.490 -9.549 1.00 1.89 H new ATOM 0 HG13 VAL A 160 5.246 8.615 -8.585 1.00 1.89 H new ATOM 0 HG21 VAL A 160 7.172 6.588 -7.329 1.00 1.76 H new ATOM 0 HG22 VAL A 160 5.586 6.204 -8.038 1.00 1.76 H new ATOM 0 HG23 VAL A 160 7.043 5.357 -8.608 1.00 1.76 H new ATOM 1113 N GLU A 161 6.113 5.166 -12.188 1.00 2.52 N ATOM 1114 CA GLU A 161 6.480 3.804 -12.674 1.00 3.28 C ATOM 1115 C GLU A 161 5.882 2.736 -11.754 1.00 3.90 C ATOM 1116 O GLU A 161 4.724 2.402 -11.942 1.00 4.34 O ATOM 1117 CB GLU A 161 8.008 3.762 -12.622 1.00 3.49 C ATOM 1118 CG GLU A 161 8.526 2.741 -13.638 1.00 4.11 C ATOM 1119 CD GLU A 161 9.694 3.345 -14.421 1.00 4.29 C ATOM 1120 OE1 GLU A 161 9.811 4.560 -14.430 1.00 4.56 O ATOM 1121 OE2 GLU A 161 10.451 2.583 -14.999 1.00 4.60 O ATOM 1122 OXT GLU A 161 6.592 2.272 -10.877 1.00 4.37 O ATOM 0 H GLU A 161 5.521 5.707 -12.818 1.00 2.52 H new ATOM 0 HA GLU A 161 6.101 3.608 -13.677 1.00 3.28 H new ATOM 0 HB2 GLU A 161 8.417 4.748 -12.841 1.00 3.49 H new ATOM 0 HB3 GLU A 161 8.341 3.494 -11.619 1.00 3.49 H new ATOM 0 HG2 GLU A 161 8.848 1.834 -13.126 1.00 4.11 H new ATOM 0 HG3 GLU A 161 7.726 2.454 -14.321 1.00 4.11 H new TER 1129 GLU A 161 HETATM 1130 CA CA A 162 4.073 24.031 0.601 1.00 0.75 CA HETATM 1131 CA CA A 2 -5.480 19.673 -5.223 1.00 0.75 CA HETATM 1132 O1 KDH A 1 8.217 9.927 -10.837 1.00 2.83 O HETATM 1133 C3 KDH A 1 9.199 9.603 -9.950 1.00 2.40 C HETATM 1134 C6 KDH A 1 10.375 8.927 -10.427 1.00 3.09 C HETATM 1135 O7 KDH A 1 10.476 8.602 -11.752 1.00 4.04 O HETATM 1136 C9 KDH A 1 11.453 8.585 -9.525 1.00 2.99 C HETATM 1137 O10 KDH A 1 12.552 7.943 -10.018 1.00 3.91 O HETATM 1138 C12 KDH A 1 11.349 8.924 -8.124 1.00 2.07 C HETATM 1139 C14 KDH A 1 10.154 9.579 -7.631 1.00 1.26 C HETATM 1140 C15 KDH A 1 10.075 9.858 -6.253 1.00 0.94 C HETATM 1141 C20 KDH A 1 11.364 9.551 -4.112 1.00 2.17 C HETATM 1142 C21 KDH A 1 12.158 8.701 -3.258 1.00 3.11 C HETATM 1143 C24 KDH A 1 12.555 9.173 -1.961 1.00 3.89 C HETATM 1144 C26 KDH A 1 12.128 10.458 -1.478 1.00 3.84 C HETATM 1145 C29 KDH A 1 11.299 11.299 -2.317 1.00 3.01 C HETATM 1146 C31 KDH A 1 10.857 10.827 -3.608 1.00 2.10 C HETATM 1147 C33 KDH A 1 10.033 11.383 -5.939 1.00 0.94 C HETATM 1148 C36 KDH A 1 10.944 12.901 -7.534 1.00 1.65 C HETATM 1149 C38 KDH A 1 11.720 12.645 -8.660 1.00 1.49 C HETATM 1150 C39 KDH A 1 11.085 12.126 -9.857 1.00 1.87 C HETATM 1151 C41 KDH A 1 13.141 12.891 -8.629 1.00 2.05 C HETATM 1152 C01 KDH A 1 9.925 11.581 -4.396 1.00 1.46 C HETATM 1153 O01 KDH A 1 11.097 9.156 -5.420 1.00 1.58 O HETATM 1154 O02 KDH A 1 13.348 8.391 -1.171 1.00 4.80 O HETATM 1155 O03 KDH A 1 10.936 12.537 -1.881 1.00 3.24 O HETATM 1156 C4 KDH A 1 9.076 9.926 -8.549 1.00 1.50 C HETATM 1157 O35 KDH A 1 11.186 12.077 -6.470 1.00 1.29 O HETATM 1158 O37 KDH A 1 10.110 13.814 -7.535 1.00 2.52 O HETATM 1159 C43 KDH A 1 13.950 12.542 -9.768 1.00 2.26 C HETATM 1160 O44 KDH A 1 15.308 12.723 -9.763 1.00 3.22 O HETATM 1161 C46 KDH A 1 13.329 11.989 -10.948 1.00 2.00 C HETATM 1162 O47 KDH A 1 14.090 11.672 -12.033 1.00 2.49 O HETATM 1163 C49 KDH A 1 11.896 11.764 -10.991 1.00 2.11 C HETATM 1164 O50 KDH A 1 11.350 11.212 -12.115 1.00 3.03 O HETATM 0 HO50 KDH A 1 12.064 10.975 -12.743 1.00 3.03 H new HETATM 0 HO47 KDH A 1 13.787 12.190 -12.808 1.00 2.49 H new HETATM 0 HO44 KDH A 1 15.616 12.914 -10.674 1.00 3.22 H new HETATM 0 HO10 KDH A 1 13.190 7.782 -9.292 1.00 3.91 H new HETATM 0 HO03 KDH A 1 10.901 12.542 -0.902 1.00 3.24 H new HETATM 0 HO02 KDH A 1 13.528 8.855 -0.327 1.00 4.80 H new HETATM 0 H01A KDH A 1 8.915 11.316 -4.084 1.00 1.46 H new HETATM 0 HO7 KDH A 1 10.810 9.375 -12.254 1.00 4.04 H new HETATM 0 HO1 KDH A 1 8.487 9.652 -11.738 1.00 2.83 H new HETATM 0 H41 KDH A 1 13.600 13.339 -7.748 1.00 2.05 H new HETATM 0 H4 KDH A 1 8.181 10.427 -8.179 1.00 1.50 H new HETATM 0 H39 KDH A 1 10.002 12.011 -9.898 1.00 1.87 H new HETATM 0 H33 KDH A 1 9.159 11.814 -6.427 1.00 0.94 H new HETATM 0 H26 KDH A 1 12.426 10.798 -0.486 1.00 3.84 H new HETATM 0 H21 KDH A 1 12.454 7.708 -3.595 1.00 3.11 H new HETATM 0 H15 KDH A 1 9.113 9.439 -5.957 1.00 0.94 H new HETATM 0 H12 KDH A 1 12.165 8.688 -7.441 1.00 2.07 H new HETATM 0 H01 KDH A 1 10.061 12.639 -4.173 1.00 1.46 H new