USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 513 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 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= -0.415 USER MOD Single : A 98 SER OG : rot 180:sc= -0.0365 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.0146 K(o=-0.015,f=-0.58) 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 -156:sc= -1.59 (180deg=-3.48!) USER MOD Single : A 122 GLN : amide:sc= -0.0312 X(o=-0.031,f=0) USER MOD Single : A 124 THR OG1 : rot -48:sc= 0.324 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.037 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.0201 USER MOD Single : A 137 MET CE :methyl -156:sc= -4.74! (180deg=-5.5!) USER MOD Single : A 138 LYS NZ :NH3+ -165:sc= -0.0315 (180deg=-0.686) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -1.88! X(o=-1.9!,f=-1.9) USER MOD Single : A 144 ASN :FLIP amide:sc= -1.55! C(o=-3.5!,f=-1.5!) USER MOD Single : A 150 TYR OH : rot 60:sc= -2.14 USER MOD Single : A 157 MET CE :methyl -140:sc= -1.02 (180deg=-2.7!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 92 6.978 4.855 0.874 1.00 1.27 N ATOM 28 CA LYS A 92 6.241 3.595 1.175 1.00 1.47 C ATOM 29 C LYS A 92 4.889 3.922 1.813 1.00 1.40 C ATOM 30 O LYS A 92 4.257 4.905 1.478 1.00 1.56 O ATOM 31 CB LYS A 92 7.132 2.839 2.163 1.00 1.61 C ATOM 32 CG LYS A 92 7.076 1.339 1.862 1.00 1.94 C ATOM 33 CD LYS A 92 7.157 0.552 3.173 1.00 2.31 C ATOM 34 CE LYS A 92 6.840 -0.922 2.907 1.00 2.59 C ATOM 35 NZ LYS A 92 7.338 -1.645 4.111 1.00 3.20 N ATOM 0 HA LYS A 92 6.040 3.007 0.279 1.00 1.47 H new ATOM 0 HB2 LYS A 92 8.159 3.197 2.089 1.00 1.61 H new ATOM 0 HB3 LYS A 92 6.801 3.028 3.184 1.00 1.61 H new ATOM 0 HG2 LYS A 92 6.152 1.097 1.337 1.00 1.94 H new ATOM 0 HG3 LYS A 92 7.899 1.058 1.205 1.00 1.94 H new ATOM 0 HD2 LYS A 92 8.153 0.648 3.606 1.00 2.31 H new ATOM 0 HD3 LYS A 92 6.454 0.961 3.898 1.00 2.31 H new ATOM 0 HE2 LYS A 92 5.770 -1.077 2.768 1.00 2.59 H new ATOM 0 HE3 LYS A 92 7.334 -1.275 2.002 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 7.157 -2.663 4.004 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 8.360 -1.484 4.214 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 6.845 -1.292 4.956 1.00 3.20 H new ATOM 49 N SER A 93 4.442 3.113 2.732 1.00 1.38 N ATOM 50 CA SER A 93 3.134 3.389 3.390 1.00 1.40 C ATOM 51 C SER A 93 3.121 4.816 3.944 1.00 1.20 C ATOM 52 O SER A 93 4.102 5.529 3.866 1.00 1.08 O ATOM 53 CB SER A 93 3.039 2.371 4.525 1.00 1.60 C ATOM 54 OG SER A 93 1.926 2.688 5.350 1.00 2.20 O ATOM 0 H SER A 93 4.924 2.274 3.056 1.00 1.38 H new ATOM 0 HA SER A 93 2.294 3.305 2.700 1.00 1.40 H new ATOM 0 HB2 SER A 93 2.930 1.366 4.119 1.00 1.60 H new ATOM 0 HB3 SER A 93 3.956 2.379 5.114 1.00 1.60 H new ATOM 0 HG SER A 93 1.862 2.035 6.078 1.00 2.20 H new ATOM 60 N GLU A 94 2.023 5.238 4.505 1.00 1.26 N ATOM 61 CA GLU A 94 1.959 6.619 5.063 1.00 1.17 C ATOM 62 C GLU A 94 3.021 6.797 6.152 1.00 1.12 C ATOM 63 O GLU A 94 3.316 7.899 6.571 1.00 1.09 O ATOM 64 CB GLU A 94 0.555 6.742 5.658 1.00 1.33 C ATOM 65 CG GLU A 94 -0.487 6.488 4.567 1.00 1.28 C ATOM 66 CD GLU A 94 -1.080 5.089 4.743 1.00 1.44 C ATOM 67 OE1 GLU A 94 -1.796 4.887 5.709 1.00 2.09 O ATOM 68 OE2 GLU A 94 -0.807 4.242 3.908 1.00 1.94 O ATOM 0 H GLU A 94 1.169 4.689 4.602 1.00 1.26 H new ATOM 0 HA GLU A 94 2.148 7.380 4.306 1.00 1.17 H new ATOM 0 HB2 GLU A 94 0.429 6.026 6.470 1.00 1.33 H new ATOM 0 HB3 GLU A 94 0.415 7.735 6.085 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -1.276 7.238 4.621 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -0.028 6.579 3.583 1.00 1.28 H new ATOM 75 N GLU A 95 3.596 5.720 6.614 1.00 1.19 N ATOM 76 CA GLU A 95 4.637 5.824 7.677 1.00 1.23 C ATOM 77 C GLU A 95 5.822 6.660 7.184 1.00 1.03 C ATOM 78 O GLU A 95 6.338 7.500 7.894 1.00 1.01 O ATOM 79 CB GLU A 95 5.071 4.382 7.946 1.00 1.45 C ATOM 80 CG GLU A 95 5.959 4.340 9.191 1.00 1.90 C ATOM 81 CD GLU A 95 6.084 2.896 9.680 1.00 2.12 C ATOM 82 OE1 GLU A 95 5.667 2.008 8.954 1.00 2.66 O ATOM 83 OE2 GLU A 95 6.595 2.702 10.770 1.00 2.49 O ATOM 0 H GLU A 95 3.390 4.771 6.301 1.00 1.19 H new ATOM 0 HA GLU A 95 4.261 6.312 8.576 1.00 1.23 H new ATOM 0 HB2 GLU A 95 4.196 3.748 8.089 1.00 1.45 H new ATOM 0 HB3 GLU A 95 5.613 3.988 7.086 1.00 1.45 H new ATOM 0 HG2 GLU A 95 6.945 4.744 8.961 1.00 1.90 H new ATOM 0 HG3 GLU A 95 5.533 4.965 9.976 1.00 1.90 H new ATOM 90 N GLU A 96 6.258 6.435 5.975 1.00 1.02 N ATOM 91 CA GLU A 96 7.410 7.219 5.442 1.00 0.94 C ATOM 92 C GLU A 96 6.908 8.425 4.643 1.00 0.79 C ATOM 93 O GLU A 96 7.513 9.478 4.647 1.00 0.82 O ATOM 94 CB GLU A 96 8.163 6.247 4.531 1.00 1.15 C ATOM 95 CG GLU A 96 9.582 6.042 5.066 1.00 1.62 C ATOM 96 CD GLU A 96 9.540 5.105 6.274 1.00 1.99 C ATOM 97 OE1 GLU A 96 8.969 5.493 7.281 1.00 2.78 O ATOM 98 OE2 GLU A 96 10.080 4.016 6.173 1.00 2.18 O ATOM 0 H GLU A 96 5.868 5.744 5.334 1.00 1.02 H new ATOM 0 HA GLU A 96 8.046 7.609 6.237 1.00 0.94 H new ATOM 0 HB2 GLU A 96 7.638 5.293 4.487 1.00 1.15 H new ATOM 0 HB3 GLU A 96 8.199 6.638 3.514 1.00 1.15 H new ATOM 0 HG2 GLU A 96 10.219 5.621 4.288 1.00 1.62 H new ATOM 0 HG3 GLU A 96 10.017 7.000 5.350 1.00 1.62 H new ATOM 105 N LEU A 97 5.806 8.280 3.958 1.00 0.77 N ATOM 106 CA LEU A 97 5.269 9.421 3.160 1.00 0.71 C ATOM 107 C LEU A 97 4.804 10.546 4.089 1.00 0.67 C ATOM 108 O LEU A 97 4.616 11.671 3.670 1.00 0.75 O ATOM 109 CB LEU A 97 4.082 8.844 2.387 1.00 0.80 C ATOM 110 CG LEU A 97 4.562 7.712 1.478 1.00 0.77 C ATOM 111 CD1 LEU A 97 3.438 7.317 0.519 1.00 1.40 C ATOM 112 CD2 LEU A 97 5.775 8.183 0.672 1.00 1.22 C ATOM 0 H LEU A 97 5.255 7.423 3.916 1.00 0.77 H new ATOM 0 HA LEU A 97 6.021 9.846 2.496 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.329 8.471 3.082 1.00 0.80 H new ATOM 0 HB3 LEU A 97 3.608 9.625 1.792 1.00 0.80 H new ATOM 0 HG LEU A 97 4.841 6.852 2.087 1.00 0.77 H new ATOM 0 HD11 LEU A 97 3.780 6.510 -0.129 1.00 1.40 H new ATOM 0 HD12 LEU A 97 2.573 6.981 1.091 1.00 1.40 H new ATOM 0 HD13 LEU A 97 3.159 8.178 -0.089 1.00 1.40 H new ATOM 0 HD21 LEU A 97 6.117 7.376 0.024 1.00 1.22 H new ATOM 0 HD22 LEU A 97 5.496 9.043 0.064 1.00 1.22 H new ATOM 0 HD23 LEU A 97 6.577 8.466 1.354 1.00 1.22 H new ATOM 124 N SER A 98 4.614 10.252 5.346 1.00 0.69 N ATOM 125 CA SER A 98 4.158 11.305 6.299 1.00 0.76 C ATOM 126 C SER A 98 5.309 12.262 6.623 1.00 0.72 C ATOM 127 O SER A 98 5.233 13.447 6.370 1.00 0.77 O ATOM 128 CB SER A 98 3.723 10.545 7.551 1.00 0.92 C ATOM 129 OG SER A 98 4.060 11.306 8.703 1.00 1.57 O ATOM 0 H SER A 98 4.755 9.328 5.755 1.00 0.69 H new ATOM 0 HA SER A 98 3.350 11.910 5.889 1.00 0.76 H new ATOM 0 HB2 SER A 98 2.649 10.361 7.524 1.00 0.92 H new ATOM 0 HB3 SER A 98 4.212 9.572 7.588 1.00 0.92 H new ATOM 0 HG SER A 98 3.781 10.822 9.508 1.00 1.57 H new ATOM 135 N ASP A 99 6.375 11.757 7.182 1.00 0.80 N ATOM 136 CA ASP A 99 7.528 12.641 7.521 1.00 0.86 C ATOM 137 C ASP A 99 8.077 13.298 6.253 1.00 0.81 C ATOM 138 O ASP A 99 8.670 14.358 6.297 1.00 0.91 O ATOM 139 CB ASP A 99 8.573 11.714 8.142 1.00 1.02 C ATOM 140 CG ASP A 99 8.828 10.533 7.205 1.00 1.23 C ATOM 141 OD1 ASP A 99 8.040 9.602 7.229 1.00 1.79 O ATOM 142 OD2 ASP A 99 9.807 10.580 6.478 1.00 1.83 O ATOM 0 H ASP A 99 6.498 10.772 7.418 1.00 0.80 H new ATOM 0 HA ASP A 99 7.246 13.445 8.200 1.00 0.86 H new ATOM 0 HB2 ASP A 99 9.500 12.260 8.317 1.00 1.02 H new ATOM 0 HB3 ASP A 99 8.226 11.355 9.111 1.00 1.02 H new ATOM 147 N LEU A 100 7.884 12.678 5.121 1.00 0.75 N ATOM 148 CA LEU A 100 8.393 13.269 3.852 1.00 0.76 C ATOM 149 C LEU A 100 7.520 14.457 3.442 1.00 0.68 C ATOM 150 O LEU A 100 8.014 15.501 3.064 1.00 0.79 O ATOM 151 CB LEU A 100 8.294 12.145 2.822 1.00 0.86 C ATOM 152 CG LEU A 100 9.656 11.464 2.682 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.581 10.390 1.594 1.00 1.41 C ATOM 154 CD2 LEU A 100 10.708 12.508 2.296 1.00 1.41 C ATOM 0 H LEU A 100 7.396 11.788 5.021 1.00 0.75 H new ATOM 0 HA LEU A 100 9.413 13.641 3.946 1.00 0.76 H new ATOM 0 HB2 LEU A 100 7.542 11.419 3.131 1.00 0.86 H new ATOM 0 HB3 LEU A 100 7.974 12.545 1.860 1.00 0.86 H new ATOM 0 HG LEU A 100 9.931 11.001 3.630 1.00 0.79 H new ATOM 0 HD11 LEU A 100 10.552 9.905 1.494 1.00 1.41 H new ATOM 0 HD12 LEU A 100 8.831 9.648 1.866 1.00 1.41 H new ATOM 0 HD13 LEU A 100 9.307 10.852 0.645 1.00 1.41 H new ATOM 0 HD21 LEU A 100 11.680 12.025 2.196 1.00 1.41 H new ATOM 0 HD22 LEU A 100 10.432 12.969 1.348 1.00 1.41 H new ATOM 0 HD23 LEU A 100 10.762 13.274 3.070 1.00 1.41 H new ATOM 166 N PHE A 101 6.226 14.309 3.519 1.00 0.60 N ATOM 167 CA PHE A 101 5.328 15.436 3.139 1.00 0.59 C ATOM 168 C PHE A 101 5.620 16.648 4.024 1.00 0.60 C ATOM 169 O PHE A 101 5.427 17.781 3.629 1.00 0.72 O ATOM 170 CB PHE A 101 3.910 14.919 3.384 1.00 0.61 C ATOM 171 CG PHE A 101 2.919 15.859 2.741 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.829 15.934 1.345 1.00 0.86 C ATOM 173 CD2 PHE A 101 2.092 16.659 3.539 1.00 0.68 C ATOM 174 CE1 PHE A 101 1.913 16.808 0.748 1.00 0.90 C ATOM 175 CE2 PHE A 101 1.176 17.533 2.942 1.00 0.73 C ATOM 176 CZ PHE A 101 1.086 17.608 1.547 1.00 0.69 C ATOM 0 H PHE A 101 5.753 13.460 3.827 1.00 0.60 H new ATOM 0 HA PHE A 101 5.467 15.750 2.104 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.799 13.917 2.970 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.717 14.845 4.454 1.00 0.61 H new ATOM 0 HD1 PHE A 101 3.467 15.317 0.729 1.00 0.86 H new ATOM 0 HD2 PHE A 101 2.161 16.602 4.615 1.00 0.68 H new ATOM 0 HE1 PHE A 101 1.844 16.866 -0.328 1.00 0.90 H new ATOM 0 HE2 PHE A 101 0.538 18.150 3.558 1.00 0.73 H new ATOM 0 HZ PHE A 101 0.379 18.283 1.087 1.00 0.69 H new ATOM 186 N ARG A 102 6.094 16.417 5.219 1.00 0.67 N ATOM 187 CA ARG A 102 6.410 17.553 6.130 1.00 0.76 C ATOM 188 C ARG A 102 7.509 18.418 5.510 1.00 0.68 C ATOM 189 O ARG A 102 7.448 19.631 5.532 1.00 0.78 O ATOM 190 CB ARG A 102 6.905 16.898 7.420 1.00 0.99 C ATOM 191 CG ARG A 102 6.020 17.333 8.590 1.00 1.30 C ATOM 192 CD ARG A 102 6.172 16.336 9.742 1.00 1.45 C ATOM 193 NE ARG A 102 6.187 17.173 10.974 1.00 2.12 N ATOM 194 CZ ARG A 102 5.092 17.755 11.385 1.00 2.71 C ATOM 195 NH1 ARG A 102 3.979 17.606 10.717 1.00 3.07 N ATOM 196 NH2 ARG A 102 5.109 18.487 12.465 1.00 3.37 N ATOM 0 H ARG A 102 6.276 15.490 5.603 1.00 0.67 H new ATOM 0 HA ARG A 102 5.551 18.200 6.309 1.00 0.76 H new ATOM 0 HB2 ARG A 102 6.885 15.813 7.320 1.00 0.99 H new ATOM 0 HB3 ARG A 102 7.940 17.181 7.609 1.00 0.99 H new ATOM 0 HG2 ARG A 102 6.301 18.333 8.921 1.00 1.30 H new ATOM 0 HG3 ARG A 102 4.978 17.383 8.273 1.00 1.30 H new ATOM 0 HD2 ARG A 102 5.348 15.623 9.759 1.00 1.45 H new ATOM 0 HD3 ARG A 102 7.091 15.758 9.646 1.00 1.45 H new ATOM 0 HE ARG A 102 7.054 17.292 11.498 1.00 2.12 H new ATOM 0 HH11 ARG A 102 3.964 17.034 9.873 1.00 3.07 H new ATOM 0 HH12 ARG A 102 3.125 18.061 11.040 1.00 3.07 H new ATOM 0 HH21 ARG A 102 5.977 18.605 12.988 1.00 3.37 H new ATOM 0 HH22 ARG A 102 4.254 18.942 12.786 1.00 3.37 H new ATOM 210 N MET A 103 8.512 17.797 4.952 1.00 0.71 N ATOM 211 CA MET A 103 9.616 18.574 4.323 1.00 0.75 C ATOM 212 C MET A 103 9.272 18.881 2.864 1.00 0.68 C ATOM 213 O MET A 103 9.547 19.953 2.363 1.00 0.83 O ATOM 214 CB MET A 103 10.841 17.662 4.406 1.00 0.93 C ATOM 215 CG MET A 103 12.107 18.513 4.506 1.00 1.27 C ATOM 216 SD MET A 103 12.951 18.530 2.904 1.00 1.82 S ATOM 217 CE MET A 103 13.125 20.325 2.757 1.00 2.43 C ATOM 0 H MET A 103 8.614 16.783 4.905 1.00 0.71 H new ATOM 0 HA MET A 103 9.788 19.529 4.819 1.00 0.75 H new ATOM 0 HB2 MET A 103 10.761 17.007 5.274 1.00 0.93 H new ATOM 0 HB3 MET A 103 10.890 17.021 3.526 1.00 0.93 H new ATOM 0 HG2 MET A 103 11.852 19.530 4.806 1.00 1.27 H new ATOM 0 HG3 MET A 103 12.769 18.111 5.273 1.00 1.27 H new ATOM 0 HE1 MET A 103 13.630 20.566 1.822 1.00 2.43 H new ATOM 0 HE2 MET A 103 12.138 20.788 2.766 1.00 2.43 H new ATOM 0 HE3 MET A 103 13.711 20.703 3.594 1.00 2.43 H new ATOM 227 N PHE A 104 8.667 17.948 2.178 1.00 0.68 N ATOM 228 CA PHE A 104 8.302 18.189 0.752 1.00 0.79 C ATOM 229 C PHE A 104 7.654 19.567 0.605 1.00 0.71 C ATOM 230 O PHE A 104 7.682 20.169 -0.450 1.00 0.88 O ATOM 231 CB PHE A 104 7.300 17.087 0.406 1.00 0.94 C ATOM 232 CG PHE A 104 8.029 15.926 -0.227 1.00 1.31 C ATOM 233 CD1 PHE A 104 9.276 15.529 0.270 1.00 2.03 C ATOM 234 CD2 PHE A 104 7.458 15.247 -1.310 1.00 1.26 C ATOM 235 CE1 PHE A 104 9.952 14.452 -0.316 1.00 2.65 C ATOM 236 CE2 PHE A 104 8.134 14.171 -1.896 1.00 1.86 C ATOM 237 CZ PHE A 104 9.381 13.774 -1.399 1.00 2.56 C ATOM 0 H PHE A 104 8.410 17.031 2.543 1.00 0.68 H new ATOM 0 HA PHE A 104 9.170 18.170 0.093 1.00 0.79 H new ATOM 0 HB2 PHE A 104 6.780 16.757 1.306 1.00 0.94 H new ATOM 0 HB3 PHE A 104 6.542 17.471 -0.277 1.00 0.94 H new ATOM 0 HD1 PHE A 104 9.716 16.053 1.105 1.00 2.03 H new ATOM 0 HD2 PHE A 104 6.496 15.554 -1.693 1.00 1.26 H new ATOM 0 HE1 PHE A 104 10.914 14.145 0.068 1.00 2.65 H new ATOM 0 HE2 PHE A 104 7.694 13.647 -2.731 1.00 1.86 H new ATOM 0 HZ PHE A 104 9.903 12.944 -1.852 1.00 2.56 H new ATOM 247 N ASP A 105 7.072 20.070 1.658 1.00 0.61 N ATOM 248 CA ASP A 105 6.422 21.410 1.588 1.00 0.60 C ATOM 249 C ASP A 105 7.346 22.475 2.187 1.00 0.56 C ATOM 250 O ASP A 105 7.468 22.599 3.390 1.00 0.63 O ATOM 251 CB ASP A 105 5.148 21.271 2.421 1.00 0.68 C ATOM 252 CG ASP A 105 4.358 22.580 2.370 1.00 0.86 C ATOM 253 OD1 ASP A 105 4.802 23.489 1.689 1.00 0.84 O ATOM 254 OD2 ASP A 105 3.325 22.651 3.015 1.00 1.45 O ATOM 0 H ASP A 105 7.018 19.610 2.567 1.00 0.61 H new ATOM 0 HA ASP A 105 6.208 21.717 0.564 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.539 20.452 2.039 1.00 0.68 H new ATOM 0 HB3 ASP A 105 5.401 21.027 3.453 1.00 0.68 H new ATOM 259 N LYS A 106 8.000 23.240 1.358 1.00 0.59 N ATOM 260 CA LYS A 106 8.920 24.292 1.879 1.00 0.66 C ATOM 261 C LYS A 106 8.142 25.327 2.700 1.00 0.55 C ATOM 262 O LYS A 106 8.619 25.822 3.701 1.00 0.63 O ATOM 263 CB LYS A 106 9.526 24.939 0.633 1.00 0.87 C ATOM 264 CG LYS A 106 10.828 24.222 0.268 1.00 1.21 C ATOM 265 CD LYS A 106 12.023 25.066 0.720 1.00 1.61 C ATOM 266 CE LYS A 106 13.154 24.143 1.181 1.00 1.77 C ATOM 267 NZ LYS A 106 13.803 24.861 2.313 1.00 2.14 N ATOM 0 H LYS A 106 7.938 23.183 0.341 1.00 0.59 H new ATOM 0 HA LYS A 106 9.684 23.880 2.539 1.00 0.66 H new ATOM 0 HB2 LYS A 106 8.822 24.883 -0.198 1.00 0.87 H new ATOM 0 HB3 LYS A 106 9.719 25.996 0.816 1.00 0.87 H new ATOM 0 HG2 LYS A 106 10.861 23.242 0.744 1.00 1.21 H new ATOM 0 HG3 LYS A 106 10.874 24.055 -0.808 1.00 1.21 H new ATOM 0 HD2 LYS A 106 12.366 25.698 -0.099 1.00 1.61 H new ATOM 0 HD3 LYS A 106 11.727 25.730 1.532 1.00 1.61 H new ATOM 0 HE2 LYS A 106 12.768 23.174 1.498 1.00 1.77 H new ATOM 0 HE3 LYS A 106 13.863 23.955 0.375 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 14.589 24.289 2.682 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 14.167 25.776 1.980 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 13.106 25.020 3.069 1.00 2.14 H new ATOM 281 N ASN A 107 6.950 25.658 2.284 1.00 0.48 N ATOM 282 CA ASN A 107 6.148 26.662 3.045 1.00 0.50 C ATOM 283 C ASN A 107 5.451 25.992 4.232 1.00 0.58 C ATOM 284 O ASN A 107 5.037 26.644 5.170 1.00 0.70 O ATOM 285 CB ASN A 107 5.117 27.188 2.045 1.00 0.54 C ATOM 286 CG ASN A 107 4.216 28.216 2.732 1.00 0.70 C ATOM 287 OD1 ASN A 107 4.680 29.021 3.516 1.00 1.00 O ATOM 288 ND2 ASN A 107 2.938 28.224 2.470 1.00 0.78 N ATOM 0 H ASN A 107 6.497 25.279 1.453 1.00 0.48 H new ATOM 0 HA ASN A 107 6.767 27.462 3.450 1.00 0.50 H new ATOM 0 HB2 ASN A 107 5.621 27.643 1.192 1.00 0.54 H new ATOM 0 HB3 ASN A 107 4.517 26.364 1.658 1.00 0.54 H new ATOM 0 HD21 ASN A 107 2.329 28.905 2.923 1.00 0.78 H new ATOM 0 HD22 ASN A 107 2.548 27.549 1.812 1.00 0.78 H new ATOM 295 N ALA A 108 5.318 24.695 4.196 1.00 0.65 N ATOM 296 CA ALA A 108 4.647 23.979 5.320 1.00 0.84 C ATOM 297 C ALA A 108 3.336 24.678 5.689 1.00 0.78 C ATOM 298 O ALA A 108 3.324 25.659 6.405 1.00 0.96 O ATOM 299 CB ALA A 108 5.638 24.051 6.483 1.00 1.03 C ATOM 0 H ALA A 108 5.645 24.098 3.436 1.00 0.65 H new ATOM 0 HA ALA A 108 4.395 22.951 5.061 1.00 0.84 H new ATOM 0 HB1 ALA A 108 5.217 23.545 7.352 1.00 1.03 H new ATOM 0 HB2 ALA A 108 6.571 23.565 6.197 1.00 1.03 H new ATOM 0 HB3 ALA A 108 5.833 25.094 6.731 1.00 1.03 H new ATOM 305 N ASP A 109 2.229 24.179 5.209 1.00 0.73 N ATOM 306 CA ASP A 109 0.923 24.817 5.537 1.00 0.74 C ATOM 307 C ASP A 109 -0.223 23.826 5.313 1.00 0.78 C ATOM 308 O ASP A 109 -1.363 24.207 5.138 1.00 0.96 O ATOM 309 CB ASP A 109 0.810 26.004 4.577 1.00 0.72 C ATOM 310 CG ASP A 109 0.458 25.502 3.176 1.00 1.15 C ATOM 311 OD1 ASP A 109 0.738 24.348 2.892 1.00 1.66 O ATOM 312 OD2 ASP A 109 -0.088 26.279 2.410 1.00 1.95 O ATOM 0 H ASP A 109 2.173 23.359 4.605 1.00 0.73 H new ATOM 0 HA ASP A 109 0.866 25.131 6.579 1.00 0.74 H new ATOM 0 HB2 ASP A 109 0.045 26.697 4.928 1.00 0.72 H new ATOM 0 HB3 ASP A 109 1.751 26.554 4.551 1.00 0.72 H new ATOM 317 N GLY A 110 0.073 22.555 5.318 1.00 0.76 N ATOM 318 CA GLY A 110 -0.997 21.539 5.107 1.00 0.85 C ATOM 319 C GLY A 110 -1.084 21.187 3.621 1.00 0.70 C ATOM 320 O GLY A 110 -1.703 20.214 3.238 1.00 0.73 O ATOM 0 H GLY A 110 1.009 22.176 5.459 1.00 0.76 H new ATOM 0 HA2 GLY A 110 -0.783 20.644 5.691 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -1.954 21.926 5.456 1.00 0.85 H new ATOM 324 N TYR A 111 -0.468 21.972 2.779 1.00 0.68 N ATOM 325 CA TYR A 111 -0.517 21.682 1.316 1.00 0.60 C ATOM 326 C TYR A 111 0.819 22.049 0.662 1.00 0.58 C ATOM 327 O TYR A 111 1.726 22.531 1.311 1.00 0.83 O ATOM 328 CB TYR A 111 -1.642 22.562 0.764 1.00 0.68 C ATOM 329 CG TYR A 111 -2.816 22.551 1.716 1.00 0.68 C ATOM 330 CD1 TYR A 111 -2.888 23.495 2.747 1.00 0.78 C ATOM 331 CD2 TYR A 111 -3.831 21.598 1.567 1.00 0.71 C ATOM 332 CE1 TYR A 111 -3.974 23.487 3.629 1.00 0.83 C ATOM 333 CE2 TYR A 111 -4.918 21.590 2.450 1.00 0.78 C ATOM 334 CZ TYR A 111 -4.989 22.534 3.481 1.00 0.80 C ATOM 335 OH TYR A 111 -6.060 22.525 4.350 1.00 0.90 O ATOM 0 H TYR A 111 0.067 22.801 3.040 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.695 20.626 1.114 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.284 23.582 0.626 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.953 22.198 -0.215 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -2.105 24.230 2.862 1.00 0.78 H new ATOM 0 HD2 TYR A 111 -3.776 20.870 0.772 1.00 0.71 H new ATOM 0 HE1 TYR A 111 -4.029 24.216 4.424 1.00 0.83 H new ATOM 0 HE2 TYR A 111 -5.701 20.855 2.335 1.00 0.78 H new ATOM 0 HH TYR A 111 -6.673 21.801 4.106 1.00 0.90 H new ATOM 345 N ILE A 112 0.946 21.825 -0.618 1.00 0.50 N ATOM 346 CA ILE A 112 2.225 22.161 -1.309 1.00 0.50 C ATOM 347 C ILE A 112 1.950 23.005 -2.559 1.00 0.49 C ATOM 348 O ILE A 112 0.917 22.886 -3.187 1.00 0.66 O ATOM 349 CB ILE A 112 2.833 20.812 -1.696 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.462 20.164 -0.461 1.00 0.62 C ATOM 351 CG2 ILE A 112 3.910 21.020 -2.762 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.225 18.907 -0.882 1.00 0.66 C ATOM 0 H ILE A 112 0.222 21.425 -1.214 1.00 0.50 H new ATOM 0 HA ILE A 112 2.894 22.744 -0.676 1.00 0.50 H new ATOM 0 HB ILE A 112 2.051 20.164 -2.092 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.137 20.866 0.028 1.00 0.62 H new ATOM 0 HG13 ILE A 112 2.689 19.908 0.263 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.342 20.057 -3.036 1.00 0.58 H new ATOM 0 HG22 ILE A 112 3.465 21.482 -3.643 1.00 0.58 H new ATOM 0 HG23 ILE A 112 4.692 21.669 -2.368 1.00 0.58 H new ATOM 0 HD11 ILE A 112 4.674 18.443 -0.004 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.537 18.204 -1.352 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.008 19.177 -1.591 1.00 0.66 H new ATOM 364 N ASP A 113 2.875 23.851 -2.924 1.00 0.47 N ATOM 365 CA ASP A 113 2.678 24.700 -4.134 1.00 0.50 C ATOM 366 C ASP A 113 3.676 24.295 -5.224 1.00 0.50 C ATOM 367 O ASP A 113 4.696 23.694 -4.951 1.00 0.57 O ATOM 368 CB ASP A 113 2.946 26.130 -3.663 1.00 0.60 C ATOM 369 CG ASP A 113 1.795 26.597 -2.770 1.00 1.17 C ATOM 370 OD1 ASP A 113 1.110 25.747 -2.228 1.00 1.85 O ATOM 371 OD2 ASP A 113 1.619 27.798 -2.644 1.00 1.77 O ATOM 0 H ASP A 113 3.760 23.991 -2.436 1.00 0.47 H new ATOM 0 HA ASP A 113 1.680 24.594 -4.559 1.00 0.50 H new ATOM 0 HB2 ASP A 113 3.887 26.173 -3.114 1.00 0.60 H new ATOM 0 HB3 ASP A 113 3.047 26.794 -4.521 1.00 0.60 H new ATOM 376 N LEU A 114 3.389 24.615 -6.455 1.00 0.52 N ATOM 377 CA LEU A 114 4.322 24.243 -7.557 1.00 0.57 C ATOM 378 C LEU A 114 5.705 24.851 -7.312 1.00 0.63 C ATOM 379 O LEU A 114 6.698 24.391 -7.839 1.00 0.80 O ATOM 380 CB LEU A 114 3.693 24.830 -8.821 1.00 0.62 C ATOM 381 CG LEU A 114 2.380 24.106 -9.119 1.00 0.61 C ATOM 382 CD1 LEU A 114 1.360 25.105 -9.666 1.00 0.91 C ATOM 383 CD2 LEU A 114 2.628 23.010 -10.158 1.00 0.81 C ATOM 0 H LEU A 114 2.550 25.117 -6.746 1.00 0.52 H new ATOM 0 HA LEU A 114 4.462 23.165 -7.633 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.511 25.896 -8.688 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.377 24.726 -9.663 1.00 0.62 H new ATOM 0 HG LEU A 114 1.995 23.659 -8.203 1.00 0.61 H new ATOM 0 HD11 LEU A 114 0.424 24.589 -9.879 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.184 25.887 -8.927 1.00 0.91 H new ATOM 0 HD13 LEU A 114 1.744 25.552 -10.583 1.00 0.91 H new ATOM 0 HD21 LEU A 114 1.693 22.493 -10.372 1.00 0.81 H new ATOM 0 HD22 LEU A 114 3.013 23.458 -11.074 1.00 0.81 H new ATOM 0 HD23 LEU A 114 3.356 22.298 -9.769 1.00 0.81 H new ATOM 395 N ASP A 115 5.777 25.883 -6.516 1.00 0.61 N ATOM 396 CA ASP A 115 7.097 26.519 -6.240 1.00 0.71 C ATOM 397 C ASP A 115 7.817 25.777 -5.110 1.00 0.65 C ATOM 398 O ASP A 115 9.030 25.744 -5.051 1.00 0.89 O ATOM 399 CB ASP A 115 6.763 27.950 -5.815 1.00 0.80 C ATOM 400 CG ASP A 115 8.047 28.677 -5.409 1.00 1.17 C ATOM 401 OD1 ASP A 115 8.934 28.779 -6.240 1.00 1.76 O ATOM 402 OD2 ASP A 115 8.120 29.119 -4.275 1.00 1.76 O ATOM 0 H ASP A 115 4.980 26.313 -6.046 1.00 0.61 H new ATOM 0 HA ASP A 115 7.758 26.493 -7.106 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.277 28.479 -6.634 1.00 0.80 H new ATOM 0 HB3 ASP A 115 6.061 27.938 -4.982 1.00 0.80 H new ATOM 407 N GLU A 116 7.079 25.184 -4.214 1.00 0.51 N ATOM 408 CA GLU A 116 7.721 24.447 -3.087 1.00 0.48 C ATOM 409 C GLU A 116 8.320 23.127 -3.583 1.00 0.49 C ATOM 410 O GLU A 116 9.390 22.728 -3.168 1.00 0.63 O ATOM 411 CB GLU A 116 6.589 24.184 -2.093 1.00 0.48 C ATOM 412 CG GLU A 116 5.978 25.516 -1.649 1.00 0.57 C ATOM 413 CD GLU A 116 4.748 25.249 -0.780 1.00 0.60 C ATOM 414 OE1 GLU A 116 4.458 24.089 -0.539 1.00 1.19 O ATOM 415 OE2 GLU A 116 4.116 26.209 -0.370 1.00 1.36 O ATOM 0 H GLU A 116 6.059 25.177 -4.212 1.00 0.51 H new ATOM 0 HA GLU A 116 8.538 25.012 -2.637 1.00 0.48 H new ATOM 0 HB2 GLU A 116 5.825 23.557 -2.553 1.00 0.48 H new ATOM 0 HB3 GLU A 116 6.969 23.640 -1.228 1.00 0.48 H new ATOM 0 HG2 GLU A 116 6.712 26.097 -1.090 1.00 0.57 H new ATOM 0 HG3 GLU A 116 5.699 26.109 -2.520 1.00 0.57 H new ATOM 422 N LEU A 117 7.642 22.447 -4.466 1.00 0.48 N ATOM 423 CA LEU A 117 8.178 21.154 -4.982 1.00 0.52 C ATOM 424 C LEU A 117 9.484 21.389 -5.746 1.00 0.58 C ATOM 425 O LEU A 117 10.476 20.722 -5.522 1.00 0.69 O ATOM 426 CB LEU A 117 7.097 20.624 -5.926 1.00 0.55 C ATOM 427 CG LEU A 117 5.785 20.458 -5.159 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.611 20.812 -6.074 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.647 19.007 -4.692 1.00 0.53 C ATOM 0 H LEU A 117 6.741 22.729 -4.853 1.00 0.48 H new ATOM 0 HA LEU A 117 8.400 20.451 -4.179 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.958 21.312 -6.760 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.406 19.668 -6.350 1.00 0.55 H new ATOM 0 HG LEU A 117 5.784 21.120 -4.293 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.675 20.694 -5.528 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.708 21.845 -6.408 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.612 20.150 -6.940 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.712 18.888 -4.145 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.648 18.345 -5.558 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.483 18.753 -4.040 1.00 0.53 H new ATOM 441 N LYS A 118 9.490 22.329 -6.648 1.00 0.59 N ATOM 442 CA LYS A 118 10.728 22.608 -7.432 1.00 0.69 C ATOM 443 C LYS A 118 11.907 22.884 -6.493 1.00 0.64 C ATOM 444 O LYS A 118 12.860 22.132 -6.442 1.00 0.73 O ATOM 445 CB LYS A 118 10.393 23.850 -8.260 1.00 0.83 C ATOM 446 CG LYS A 118 11.683 24.480 -8.788 1.00 0.99 C ATOM 447 CD LYS A 118 11.340 25.688 -9.659 1.00 1.35 C ATOM 448 CE LYS A 118 12.568 26.591 -9.784 1.00 1.51 C ATOM 449 NZ LYS A 118 12.495 27.153 -11.161 1.00 1.99 N ATOM 0 H LYS A 118 8.690 22.918 -6.878 1.00 0.59 H new ATOM 0 HA LYS A 118 11.021 21.765 -8.058 1.00 0.69 H new ATOM 0 HB2 LYS A 118 9.742 23.580 -9.091 1.00 0.83 H new ATOM 0 HB3 LYS A 118 9.848 24.570 -7.649 1.00 0.83 H new ATOM 0 HG2 LYS A 118 12.318 24.786 -7.956 1.00 0.99 H new ATOM 0 HG3 LYS A 118 12.247 23.749 -9.367 1.00 0.99 H new ATOM 0 HD2 LYS A 118 11.016 25.358 -10.646 1.00 1.35 H new ATOM 0 HD3 LYS A 118 10.511 26.243 -9.220 1.00 1.35 H new ATOM 0 HE2 LYS A 118 12.554 27.382 -9.034 1.00 1.51 H new ATOM 0 HE3 LYS A 118 13.489 26.027 -9.636 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 13.306 27.784 -11.322 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 12.517 26.378 -11.854 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 11.611 27.690 -11.270 1.00 1.99 H new ATOM 463 N ILE A 119 11.854 23.958 -5.753 1.00 0.68 N ATOM 464 CA ILE A 119 12.976 24.279 -4.824 1.00 0.74 C ATOM 465 C ILE A 119 13.302 23.074 -3.937 1.00 0.75 C ATOM 466 O ILE A 119 14.376 22.979 -3.377 1.00 0.85 O ATOM 467 CB ILE A 119 12.467 25.443 -3.976 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.363 26.698 -4.844 1.00 1.22 C ATOM 469 CG2 ILE A 119 13.442 25.700 -2.825 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.284 27.623 -4.278 1.00 1.06 C ATOM 0 H ILE A 119 11.084 24.626 -5.751 1.00 0.68 H new ATOM 0 HA ILE A 119 13.891 24.531 -5.360 1.00 0.74 H new ATOM 0 HB ILE A 119 11.485 25.197 -3.573 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.322 27.215 -4.871 1.00 1.22 H new ATOM 0 HG13 ILE A 119 12.120 26.424 -5.871 1.00 1.22 H new ATOM 0 HG21 ILE A 119 13.079 26.531 -2.219 1.00 1.08 H new ATOM 0 HG22 ILE A 119 13.518 24.806 -2.206 1.00 1.08 H new ATOM 0 HG23 ILE A 119 14.424 25.947 -3.228 1.00 1.08 H new ATOM 0 HD11 ILE A 119 11.210 28.517 -4.897 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.325 27.104 -4.274 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.547 27.908 -3.259 1.00 1.06 H new ATOM 482 N MET A 120 12.386 22.155 -3.800 1.00 0.85 N ATOM 483 CA MET A 120 12.653 20.964 -2.942 1.00 1.01 C ATOM 484 C MET A 120 13.469 19.922 -3.713 1.00 0.95 C ATOM 485 O MET A 120 14.088 19.053 -3.131 1.00 1.11 O ATOM 486 CB MET A 120 11.274 20.408 -2.590 1.00 1.17 C ATOM 487 CG MET A 120 11.398 19.454 -1.401 1.00 1.52 C ATOM 488 SD MET A 120 11.431 17.746 -1.998 1.00 1.88 S ATOM 489 CE MET A 120 9.728 17.685 -2.608 1.00 1.43 C ATOM 0 H MET A 120 11.467 22.176 -4.243 1.00 0.85 H new ATOM 0 HA MET A 120 13.228 21.222 -2.053 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.593 21.223 -2.347 1.00 1.17 H new ATOM 0 HB3 MET A 120 10.851 19.885 -3.448 1.00 1.17 H new ATOM 0 HG2 MET A 120 12.307 19.672 -0.840 1.00 1.52 H new ATOM 0 HG3 MET A 120 10.560 19.596 -0.719 1.00 1.52 H new ATOM 0 HE1 MET A 120 9.386 16.650 -2.628 1.00 1.43 H new ATOM 0 HE2 MET A 120 9.084 18.267 -1.949 1.00 1.43 H new ATOM 0 HE3 MET A 120 9.687 18.100 -3.615 1.00 1.43 H new ATOM 499 N LEU A 121 13.478 19.999 -5.015 1.00 0.87 N ATOM 500 CA LEU A 121 14.258 19.009 -5.812 1.00 0.95 C ATOM 501 C LEU A 121 15.748 19.364 -5.781 1.00 0.87 C ATOM 502 O LEU A 121 16.587 18.607 -6.225 1.00 0.97 O ATOM 503 CB LEU A 121 13.708 19.119 -7.236 1.00 1.09 C ATOM 504 CG LEU A 121 12.296 18.534 -7.286 1.00 1.41 C ATOM 505 CD1 LEU A 121 11.664 18.842 -8.644 1.00 2.03 C ATOM 506 CD2 LEU A 121 12.366 17.017 -7.090 1.00 1.80 C ATOM 0 H LEU A 121 12.981 20.702 -5.561 1.00 0.87 H new ATOM 0 HA LEU A 121 14.164 17.997 -5.419 1.00 0.95 H new ATOM 0 HB2 LEU A 121 13.692 20.162 -7.551 1.00 1.09 H new ATOM 0 HB3 LEU A 121 14.358 18.586 -7.930 1.00 1.09 H new ATOM 0 HG LEU A 121 11.691 18.977 -6.495 1.00 1.41 H new ATOM 0 HD11 LEU A 121 10.658 18.425 -8.680 1.00 2.03 H new ATOM 0 HD12 LEU A 121 11.615 19.922 -8.786 1.00 2.03 H new ATOM 0 HD13 LEU A 121 12.269 18.399 -9.436 1.00 2.03 H new ATOM 0 HD21 LEU A 121 11.360 16.599 -7.125 1.00 1.80 H new ATOM 0 HD22 LEU A 121 12.971 16.575 -7.882 1.00 1.80 H new ATOM 0 HD23 LEU A 121 12.817 16.796 -6.123 1.00 1.80 H new ATOM 518 N GLN A 122 16.079 20.513 -5.256 1.00 0.82 N ATOM 519 CA GLN A 122 17.512 20.923 -5.191 1.00 0.95 C ATOM 520 C GLN A 122 18.356 19.818 -4.548 1.00 1.04 C ATOM 521 O GLN A 122 19.561 19.776 -4.700 1.00 1.19 O ATOM 522 CB GLN A 122 17.520 22.180 -4.319 1.00 1.14 C ATOM 523 CG GLN A 122 17.050 23.379 -5.146 1.00 1.42 C ATOM 524 CD GLN A 122 17.317 24.670 -4.370 1.00 1.85 C ATOM 525 OE1 GLN A 122 18.041 25.530 -4.831 1.00 2.44 O ATOM 526 NE2 GLN A 122 16.759 24.844 -3.203 1.00 2.28 N ATOM 0 H GLN A 122 15.418 21.187 -4.869 1.00 0.82 H new ATOM 0 HA GLN A 122 17.934 21.105 -6.179 1.00 0.95 H new ATOM 0 HB2 GLN A 122 16.868 22.041 -3.457 1.00 1.14 H new ATOM 0 HB3 GLN A 122 18.523 22.362 -3.934 1.00 1.14 H new ATOM 0 HG2 GLN A 122 17.573 23.402 -6.102 1.00 1.42 H new ATOM 0 HG3 GLN A 122 15.986 23.288 -5.366 1.00 1.42 H new ATOM 0 HE21 GLN A 122 16.151 24.122 -2.816 1.00 2.28 H new ATOM 0 HE22 GLN A 122 16.931 25.702 -2.678 1.00 2.28 H new ATOM 535 N ALA A 123 17.735 18.924 -3.829 1.00 1.09 N ATOM 536 CA ALA A 123 18.505 17.825 -3.177 1.00 1.33 C ATOM 537 C ALA A 123 19.225 16.980 -4.233 1.00 1.38 C ATOM 538 O ALA A 123 20.283 16.436 -3.988 1.00 1.62 O ATOM 539 CB ALA A 123 17.455 16.989 -2.446 1.00 1.45 C ATOM 0 H ALA A 123 16.729 18.906 -3.664 1.00 1.09 H new ATOM 0 HA ALA A 123 19.271 18.203 -2.500 1.00 1.33 H new ATOM 0 HB1 ALA A 123 17.942 16.156 -1.938 1.00 1.45 H new ATOM 0 HB2 ALA A 123 16.941 17.611 -1.713 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.732 16.603 -3.165 1.00 1.45 H new ATOM 545 N THR A 124 18.660 16.865 -5.404 1.00 1.29 N ATOM 546 CA THR A 124 19.314 16.055 -6.472 1.00 1.47 C ATOM 547 C THR A 124 19.817 16.968 -7.593 1.00 1.44 C ATOM 548 O THR A 124 20.036 16.536 -8.708 1.00 1.72 O ATOM 549 CB THR A 124 18.218 15.123 -6.992 1.00 1.56 C ATOM 550 OG1 THR A 124 18.799 14.131 -7.826 1.00 2.16 O ATOM 551 CG2 THR A 124 17.196 15.932 -7.792 1.00 1.92 C ATOM 0 H THR A 124 17.774 17.297 -5.668 1.00 1.29 H new ATOM 0 HA THR A 124 20.176 15.502 -6.100 1.00 1.47 H new ATOM 0 HB THR A 124 17.719 14.643 -6.151 1.00 1.56 H new ATOM 0 HG1 THR A 124 19.398 14.558 -8.474 1.00 2.16 H new ATOM 0 HG21 THR A 124 16.415 15.267 -8.162 1.00 1.92 H new ATOM 0 HG22 THR A 124 16.751 16.692 -7.150 1.00 1.92 H new ATOM 0 HG23 THR A 124 17.692 16.414 -8.635 1.00 1.92 H new ATOM 559 N GLY A 125 19.997 18.228 -7.308 1.00 1.26 N ATOM 560 CA GLY A 125 20.480 19.168 -8.358 1.00 1.32 C ATOM 561 C GLY A 125 19.286 19.911 -8.958 1.00 1.26 C ATOM 562 O GLY A 125 19.418 20.997 -9.487 1.00 1.63 O ATOM 0 H GLY A 125 19.830 18.647 -6.393 1.00 1.26 H new ATOM 0 HA2 GLY A 125 21.187 19.878 -7.929 1.00 1.32 H new ATOM 0 HA3 GLY A 125 21.011 18.620 -9.137 1.00 1.32 H new ATOM 566 N GLU A 126 18.119 19.332 -8.875 1.00 1.02 N ATOM 567 CA GLU A 126 16.910 20.001 -9.435 1.00 1.08 C ATOM 568 C GLU A 126 17.204 20.556 -10.829 1.00 0.89 C ATOM 569 O GLU A 126 16.999 21.723 -11.096 1.00 0.87 O ATOM 570 CB GLU A 126 16.602 21.141 -8.465 1.00 1.34 C ATOM 571 CG GLU A 126 15.240 21.748 -8.805 1.00 1.45 C ATOM 572 CD GLU A 126 15.442 23.069 -9.550 1.00 1.61 C ATOM 573 OE1 GLU A 126 16.224 23.878 -9.080 1.00 2.16 O ATOM 574 OE2 GLU A 126 14.810 23.248 -10.578 1.00 2.09 O ATOM 0 H GLU A 126 17.950 18.423 -8.443 1.00 1.02 H new ATOM 0 HA GLU A 126 16.072 19.311 -9.538 1.00 1.08 H new ATOM 0 HB2 GLU A 126 16.601 20.770 -7.440 1.00 1.34 H new ATOM 0 HB3 GLU A 126 17.378 21.904 -8.527 1.00 1.34 H new ATOM 0 HG2 GLU A 126 14.665 21.056 -9.420 1.00 1.45 H new ATOM 0 HG3 GLU A 126 14.667 21.916 -7.893 1.00 1.45 H new ATOM 581 N THR A 127 17.674 19.732 -11.725 1.00 1.09 N ATOM 582 CA THR A 127 17.965 20.228 -13.098 1.00 1.21 C ATOM 583 C THR A 127 16.943 19.657 -14.080 1.00 1.29 C ATOM 584 O THR A 127 17.114 18.582 -14.620 1.00 1.60 O ATOM 585 CB THR A 127 19.369 19.712 -13.419 1.00 1.57 C ATOM 586 OG1 THR A 127 19.694 18.649 -12.533 1.00 1.91 O ATOM 587 CG2 THR A 127 20.383 20.845 -13.252 1.00 2.18 C ATOM 0 H THR A 127 17.868 18.743 -11.567 1.00 1.09 H new ATOM 0 HA THR A 127 17.909 21.314 -13.171 1.00 1.21 H new ATOM 0 HB THR A 127 19.398 19.352 -14.447 1.00 1.57 H new ATOM 0 HG1 THR A 127 20.592 18.316 -12.738 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.383 20.475 -13.481 1.00 2.18 H new ATOM 0 HG22 THR A 127 20.133 21.660 -13.931 1.00 2.18 H new ATOM 0 HG23 THR A 127 20.357 21.208 -12.225 1.00 2.18 H new ATOM 595 N ILE A 128 15.880 20.373 -14.313 1.00 1.08 N ATOM 596 CA ILE A 128 14.840 19.882 -15.258 1.00 1.20 C ATOM 597 C ILE A 128 14.345 21.031 -16.139 1.00 1.18 C ATOM 598 O ILE A 128 14.472 22.188 -15.792 1.00 1.15 O ATOM 599 CB ILE A 128 13.716 19.363 -14.363 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.228 20.494 -13.455 1.00 1.32 C ATOM 601 CG2 ILE A 128 14.239 18.210 -13.504 1.00 1.62 C ATOM 602 CD1 ILE A 128 12.296 19.923 -12.384 1.00 2.03 C ATOM 0 H ILE A 128 15.686 21.280 -13.888 1.00 1.08 H new ATOM 0 HA ILE A 128 15.216 19.110 -15.930 1.00 1.20 H new ATOM 0 HB ILE A 128 12.891 19.009 -14.982 1.00 1.12 H new ATOM 0 HG12 ILE A 128 14.078 20.990 -12.986 1.00 1.32 H new ATOM 0 HG13 ILE A 128 12.704 21.247 -14.044 1.00 1.32 H new ATOM 0 HG21 ILE A 128 13.437 17.839 -12.865 1.00 1.62 H new ATOM 0 HG22 ILE A 128 14.590 17.405 -14.150 1.00 1.62 H new ATOM 0 HG23 ILE A 128 15.063 18.563 -12.884 1.00 1.62 H new ATOM 0 HD11 ILE A 128 11.948 20.729 -11.737 1.00 2.03 H new ATOM 0 HD12 ILE A 128 11.440 19.447 -12.863 1.00 2.03 H new ATOM 0 HD13 ILE A 128 12.835 19.186 -11.788 1.00 2.03 H new ATOM 614 N THR A 129 13.771 20.725 -17.268 1.00 1.34 N ATOM 615 CA THR A 129 13.262 21.809 -18.154 1.00 1.42 C ATOM 616 C THR A 129 12.098 22.530 -17.468 1.00 1.16 C ATOM 617 O THR A 129 11.286 21.919 -16.802 1.00 0.97 O ATOM 618 CB THR A 129 12.786 21.098 -19.422 1.00 1.64 C ATOM 619 OG1 THR A 129 13.740 20.115 -19.798 1.00 2.23 O ATOM 620 CG2 THR A 129 12.627 22.117 -20.551 1.00 2.28 C ATOM 0 H THR A 129 13.632 19.776 -17.615 1.00 1.34 H new ATOM 0 HA THR A 129 14.021 22.559 -18.376 1.00 1.42 H new ATOM 0 HB THR A 129 11.826 20.618 -19.232 1.00 1.64 H new ATOM 0 HG1 THR A 129 13.436 19.657 -20.609 1.00 2.23 H new ATOM 0 HG21 THR A 129 12.288 21.610 -21.454 1.00 2.28 H new ATOM 0 HG22 THR A 129 11.894 22.870 -20.261 1.00 2.28 H new ATOM 0 HG23 THR A 129 13.585 22.599 -20.744 1.00 2.28 H new ATOM 628 N GLU A 130 12.010 23.823 -17.620 1.00 1.31 N ATOM 629 CA GLU A 130 10.897 24.575 -16.970 1.00 1.28 C ATOM 630 C GLU A 130 9.545 23.955 -17.338 1.00 1.16 C ATOM 631 O GLU A 130 8.548 24.189 -16.685 1.00 1.21 O ATOM 632 CB GLU A 130 11.005 25.997 -17.523 1.00 1.69 C ATOM 633 CG GLU A 130 10.971 25.955 -19.052 1.00 2.05 C ATOM 634 CD GLU A 130 12.162 26.734 -19.611 1.00 2.43 C ATOM 635 OE1 GLU A 130 13.250 26.181 -19.632 1.00 2.70 O ATOM 636 OE2 GLU A 130 11.967 27.871 -20.009 1.00 3.03 O ATOM 0 H GLU A 130 12.659 24.391 -18.165 1.00 1.31 H new ATOM 0 HA GLU A 130 10.966 24.553 -15.882 1.00 1.28 H new ATOM 0 HB2 GLU A 130 10.184 26.608 -17.147 1.00 1.69 H new ATOM 0 HB3 GLU A 130 11.930 26.462 -17.182 1.00 1.69 H new ATOM 0 HG2 GLU A 130 11.004 24.922 -19.399 1.00 2.05 H new ATOM 0 HG3 GLU A 130 10.038 26.385 -19.417 1.00 2.05 H new ATOM 643 N ASP A 131 9.502 23.170 -18.380 1.00 1.18 N ATOM 644 CA ASP A 131 8.212 22.542 -18.787 1.00 1.19 C ATOM 645 C ASP A 131 7.934 21.286 -17.953 1.00 1.07 C ATOM 646 O ASP A 131 6.812 20.829 -17.862 1.00 1.14 O ATOM 647 CB ASP A 131 8.399 22.176 -20.259 1.00 1.44 C ATOM 648 CG ASP A 131 7.526 23.085 -21.126 1.00 1.48 C ATOM 649 OD1 ASP A 131 7.968 24.181 -21.432 1.00 2.07 O ATOM 650 OD2 ASP A 131 6.432 22.670 -21.470 1.00 1.91 O ATOM 0 H ASP A 131 10.303 22.936 -18.967 1.00 1.18 H new ATOM 0 HA ASP A 131 7.366 23.212 -18.633 1.00 1.19 H new ATOM 0 HB2 ASP A 131 9.446 22.283 -20.541 1.00 1.44 H new ATOM 0 HB3 ASP A 131 8.130 21.132 -20.422 1.00 1.44 H new ATOM 655 N ASP A 132 8.943 20.722 -17.345 1.00 1.00 N ATOM 656 CA ASP A 132 8.725 19.494 -16.523 1.00 1.03 C ATOM 657 C ASP A 132 8.391 19.874 -15.078 1.00 0.88 C ATOM 658 O ASP A 132 7.986 19.045 -14.286 1.00 1.03 O ATOM 659 CB ASP A 132 10.051 18.734 -16.585 1.00 1.13 C ATOM 660 CG ASP A 132 10.072 17.843 -17.828 1.00 1.39 C ATOM 661 OD1 ASP A 132 9.886 18.369 -18.913 1.00 1.79 O ATOM 662 OD2 ASP A 132 10.274 16.650 -17.675 1.00 1.99 O ATOM 0 H ASP A 132 9.906 21.056 -17.381 1.00 1.00 H new ATOM 0 HA ASP A 132 7.893 18.894 -16.892 1.00 1.03 H new ATOM 0 HB2 ASP A 132 10.884 19.437 -16.614 1.00 1.13 H new ATOM 0 HB3 ASP A 132 10.177 18.128 -15.688 1.00 1.13 H new ATOM 667 N ILE A 133 8.559 21.119 -14.728 1.00 0.75 N ATOM 668 CA ILE A 133 8.253 21.550 -13.333 1.00 0.77 C ATOM 669 C ILE A 133 6.802 21.216 -12.978 1.00 0.70 C ATOM 670 O ILE A 133 6.508 20.758 -11.891 1.00 0.82 O ATOM 671 CB ILE A 133 8.467 23.063 -13.332 1.00 0.87 C ATOM 672 CG1 ILE A 133 9.929 23.370 -13.671 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.131 23.625 -11.949 1.00 1.06 C ATOM 674 CD1 ILE A 133 10.819 23.030 -12.473 1.00 1.00 C ATOM 0 H ILE A 133 8.895 21.857 -15.347 1.00 0.75 H new ATOM 0 HA ILE A 133 8.882 21.046 -12.600 1.00 0.77 H new ATOM 0 HB ILE A 133 7.818 23.524 -14.076 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.239 22.793 -14.542 1.00 0.96 H new ATOM 0 HG13 ILE A 133 10.039 24.423 -13.931 1.00 0.96 H new ATOM 0 HG21 ILE A 133 8.284 24.704 -11.948 1.00 1.06 H new ATOM 0 HG22 ILE A 133 7.090 23.405 -11.710 1.00 1.06 H new ATOM 0 HG23 ILE A 133 8.779 23.166 -11.202 1.00 1.06 H new ATOM 0 HD11 ILE A 133 11.858 23.250 -12.718 1.00 1.00 H new ATOM 0 HD12 ILE A 133 10.515 23.627 -11.613 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.719 21.971 -12.234 1.00 1.00 H new ATOM 686 N GLU A 134 5.891 21.444 -13.883 1.00 0.61 N ATOM 687 CA GLU A 134 4.460 21.142 -13.593 1.00 0.64 C ATOM 688 C GLU A 134 4.176 19.652 -13.802 1.00 0.64 C ATOM 689 O GLU A 134 3.189 19.127 -13.326 1.00 0.76 O ATOM 690 CB GLU A 134 3.667 21.986 -14.591 1.00 0.73 C ATOM 691 CG GLU A 134 3.741 23.459 -14.186 1.00 0.89 C ATOM 692 CD GLU A 134 2.619 24.237 -14.877 1.00 1.21 C ATOM 693 OE1 GLU A 134 1.477 24.065 -14.484 1.00 1.86 O ATOM 694 OE2 GLU A 134 2.921 24.991 -15.787 1.00 1.87 O ATOM 0 H GLU A 134 6.075 21.826 -14.811 1.00 0.61 H new ATOM 0 HA GLU A 134 4.192 21.371 -12.562 1.00 0.64 H new ATOM 0 HB2 GLU A 134 4.069 21.853 -15.596 1.00 0.73 H new ATOM 0 HB3 GLU A 134 2.628 21.657 -14.617 1.00 0.73 H new ATOM 0 HG2 GLU A 134 3.651 23.554 -13.104 1.00 0.89 H new ATOM 0 HG3 GLU A 134 4.710 23.875 -14.463 1.00 0.89 H new ATOM 701 N GLU A 135 5.031 18.966 -14.510 1.00 0.59 N ATOM 702 CA GLU A 135 4.804 17.511 -14.744 1.00 0.67 C ATOM 703 C GLU A 135 4.821 16.756 -13.413 1.00 0.74 C ATOM 704 O GLU A 135 4.144 15.761 -13.242 1.00 0.91 O ATOM 705 CB GLU A 135 5.969 17.065 -15.628 1.00 0.72 C ATOM 706 CG GLU A 135 5.444 16.169 -16.752 1.00 1.16 C ATOM 707 CD GLU A 135 5.628 14.701 -16.363 1.00 1.56 C ATOM 708 OE1 GLU A 135 6.691 14.369 -15.866 1.00 2.29 O ATOM 709 OE2 GLU A 135 4.702 13.933 -16.569 1.00 2.03 O ATOM 0 H GLU A 135 5.875 19.349 -14.936 1.00 0.59 H new ATOM 0 HA GLU A 135 3.840 17.312 -15.211 1.00 0.67 H new ATOM 0 HB2 GLU A 135 6.474 17.935 -16.048 1.00 0.72 H new ATOM 0 HB3 GLU A 135 6.705 16.525 -15.032 1.00 0.72 H new ATOM 0 HG2 GLU A 135 4.390 16.378 -16.936 1.00 1.16 H new ATOM 0 HG3 GLU A 135 5.977 16.380 -17.679 1.00 1.16 H new ATOM 716 N LEU A 136 5.591 17.222 -12.468 1.00 0.73 N ATOM 717 CA LEU A 136 5.656 16.532 -11.148 1.00 0.87 C ATOM 718 C LEU A 136 4.432 16.888 -10.300 1.00 0.81 C ATOM 719 O LEU A 136 3.840 16.040 -9.662 1.00 1.00 O ATOM 720 CB LEU A 136 6.933 17.055 -10.492 1.00 0.99 C ATOM 721 CG LEU A 136 8.150 16.411 -11.158 1.00 1.09 C ATOM 722 CD1 LEU A 136 9.339 17.370 -11.088 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.499 15.111 -10.429 1.00 1.75 C ATOM 0 H LEU A 136 6.178 18.051 -12.553 1.00 0.73 H new ATOM 0 HA LEU A 136 5.664 15.447 -11.250 1.00 0.87 H new ATOM 0 HB2 LEU A 136 6.985 18.140 -10.587 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.926 16.828 -9.426 1.00 0.99 H new ATOM 0 HG LEU A 136 7.921 16.194 -12.201 1.00 1.09 H new ATOM 0 HD11 LEU A 136 10.206 16.910 -11.563 1.00 1.74 H new ATOM 0 HD12 LEU A 136 9.090 18.296 -11.606 1.00 1.74 H new ATOM 0 HD13 LEU A 136 9.570 17.588 -10.045 1.00 1.74 H new ATOM 0 HD21 LEU A 136 9.366 14.650 -10.902 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.728 15.329 -9.386 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.652 14.427 -10.479 1.00 1.75 H new ATOM 735 N MET A 137 4.048 18.135 -10.286 1.00 0.67 N ATOM 736 CA MET A 137 2.863 18.540 -9.475 1.00 0.71 C ATOM 737 C MET A 137 1.591 17.897 -10.035 1.00 0.68 C ATOM 738 O MET A 137 0.646 17.644 -9.317 1.00 0.70 O ATOM 739 CB MET A 137 2.794 20.062 -9.606 1.00 0.82 C ATOM 740 CG MET A 137 2.625 20.686 -8.219 1.00 0.99 C ATOM 741 SD MET A 137 0.931 21.299 -8.036 1.00 0.94 S ATOM 742 CE MET A 137 1.107 21.953 -6.358 1.00 0.53 C ATOM 0 H MET A 137 4.502 18.890 -10.800 1.00 0.67 H new ATOM 0 HA MET A 137 2.948 18.223 -8.436 1.00 0.71 H new ATOM 0 HB2 MET A 137 3.702 20.439 -10.078 1.00 0.82 H new ATOM 0 HB3 MET A 137 1.960 20.345 -10.248 1.00 0.82 H new ATOM 0 HG2 MET A 137 2.841 19.947 -7.447 1.00 0.99 H new ATOM 0 HG3 MET A 137 3.335 21.502 -8.087 1.00 0.99 H new ATOM 0 HE1 MET A 137 0.129 21.992 -5.878 1.00 0.53 H new ATOM 0 HE2 MET A 137 1.768 21.305 -5.782 1.00 0.53 H new ATOM 0 HE3 MET A 137 1.531 22.956 -6.401 1.00 0.53 H new ATOM 752 N LYS A 138 1.560 17.633 -11.312 1.00 0.76 N ATOM 753 CA LYS A 138 0.346 17.009 -11.916 1.00 0.82 C ATOM 754 C LYS A 138 -0.098 15.798 -11.090 1.00 0.72 C ATOM 755 O LYS A 138 -1.156 15.798 -10.493 1.00 0.84 O ATOM 756 CB LYS A 138 0.780 16.572 -13.315 1.00 0.99 C ATOM 757 CG LYS A 138 0.727 17.770 -14.263 1.00 1.57 C ATOM 758 CD LYS A 138 1.500 17.445 -15.543 1.00 2.09 C ATOM 759 CE LYS A 138 0.514 17.192 -16.686 1.00 2.74 C ATOM 760 NZ LYS A 138 -0.173 15.919 -16.329 1.00 3.43 N ATOM 0 H LYS A 138 2.321 17.822 -11.964 1.00 0.76 H new ATOM 0 HA LYS A 138 -0.498 17.698 -11.946 1.00 0.82 H new ATOM 0 HB2 LYS A 138 1.790 16.164 -13.283 1.00 0.99 H new ATOM 0 HB3 LYS A 138 0.127 15.778 -13.678 1.00 0.99 H new ATOM 0 HG2 LYS A 138 -0.309 18.012 -14.503 1.00 1.57 H new ATOM 0 HG3 LYS A 138 1.156 18.648 -13.780 1.00 1.57 H new ATOM 0 HD2 LYS A 138 2.165 18.270 -15.798 1.00 2.09 H new ATOM 0 HD3 LYS A 138 2.127 16.567 -15.389 1.00 2.09 H new ATOM 0 HE2 LYS A 138 -0.198 18.012 -16.781 1.00 2.74 H new ATOM 0 HE3 LYS A 138 1.031 17.107 -17.642 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 -0.669 15.547 -17.164 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 0.530 15.224 -16.005 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 -0.860 16.097 -15.568 1.00 3.43 H new ATOM 774 N ASP A 139 0.699 14.766 -11.057 1.00 0.75 N ATOM 775 CA ASP A 139 0.319 13.554 -10.274 1.00 0.78 C ATOM 776 C ASP A 139 -0.100 13.946 -8.853 1.00 0.70 C ATOM 777 O ASP A 139 -0.970 13.336 -8.263 1.00 0.81 O ATOM 778 CB ASP A 139 1.583 12.693 -10.243 1.00 0.97 C ATOM 779 CG ASP A 139 1.345 11.407 -11.037 1.00 1.16 C ATOM 780 OD1 ASP A 139 0.643 11.470 -12.034 1.00 1.69 O ATOM 781 OD2 ASP A 139 1.868 10.381 -10.635 1.00 1.66 O ATOM 0 H ASP A 139 1.597 14.708 -11.538 1.00 0.75 H new ATOM 0 HA ASP A 139 -0.526 13.026 -10.716 1.00 0.78 H new ATOM 0 HB2 ASP A 139 2.422 13.245 -10.667 1.00 0.97 H new ATOM 0 HB3 ASP A 139 1.847 12.453 -9.213 1.00 0.97 H new ATOM 786 N GLY A 140 0.511 14.958 -8.299 1.00 0.64 N ATOM 787 CA GLY A 140 0.146 15.383 -6.917 1.00 0.62 C ATOM 788 C GLY A 140 -1.157 16.184 -6.952 1.00 0.57 C ATOM 789 O GLY A 140 -1.992 16.068 -6.077 1.00 0.65 O ATOM 0 H GLY A 140 1.246 15.508 -8.743 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.030 14.509 -6.276 1.00 0.62 H new ATOM 0 HA3 GLY A 140 0.945 15.988 -6.489 1.00 0.62 H new ATOM 793 N ASP A 141 -1.340 16.996 -7.957 1.00 0.56 N ATOM 794 CA ASP A 141 -2.591 17.803 -8.045 1.00 0.56 C ATOM 795 C ASP A 141 -3.299 17.535 -9.375 1.00 0.58 C ATOM 796 O ASP A 141 -3.612 18.445 -10.117 1.00 0.64 O ATOM 797 CB ASP A 141 -2.130 19.261 -7.966 1.00 0.60 C ATOM 798 CG ASP A 141 -2.730 19.925 -6.724 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.332 19.222 -5.929 1.00 1.14 O ATOM 800 OD2 ASP A 141 -2.576 21.128 -6.588 1.00 1.23 O ATOM 0 H ASP A 141 -0.678 17.136 -8.721 1.00 0.56 H new ATOM 0 HA ASP A 141 -3.298 17.557 -7.253 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -1.042 19.307 -7.925 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -2.438 19.799 -8.863 1.00 0.60 H new ATOM 805 N LYS A 142 -3.554 16.292 -9.683 1.00 0.62 N ATOM 806 CA LYS A 142 -4.243 15.970 -10.966 1.00 0.70 C ATOM 807 C LYS A 142 -5.518 16.804 -11.100 1.00 0.79 C ATOM 808 O LYS A 142 -6.034 17.000 -12.182 1.00 0.92 O ATOM 809 CB LYS A 142 -4.582 14.482 -10.873 1.00 0.79 C ATOM 810 CG LYS A 142 -4.319 13.813 -12.224 1.00 0.88 C ATOM 811 CD LYS A 142 -5.644 13.351 -12.833 1.00 1.37 C ATOM 812 CE LYS A 142 -6.078 14.335 -13.923 1.00 1.79 C ATOM 813 NZ LYS A 142 -5.895 13.596 -15.203 1.00 2.44 N ATOM 0 H LYS A 142 -3.316 15.487 -9.103 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.624 16.191 -11.835 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -3.980 14.009 -10.098 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.626 14.353 -10.589 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -3.822 14.512 -12.897 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -3.649 12.962 -12.096 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -5.534 12.352 -13.254 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -6.409 13.288 -12.059 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -7.116 14.641 -13.788 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -5.473 15.241 -13.900 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -6.172 14.206 -15.999 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -4.897 13.324 -15.307 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -6.488 12.742 -15.199 1.00 2.44 H new ATOM 827 N ASN A 143 -6.030 17.300 -10.006 1.00 0.80 N ATOM 828 CA ASN A 143 -7.270 18.125 -10.071 1.00 0.95 C ATOM 829 C ASN A 143 -6.927 19.551 -10.511 1.00 0.92 C ATOM 830 O ASN A 143 -7.797 20.376 -10.711 1.00 1.08 O ATOM 831 CB ASN A 143 -7.830 18.125 -8.645 1.00 1.07 C ATOM 832 CG ASN A 143 -7.731 16.718 -8.049 1.00 1.36 C ATOM 833 OD1 ASN A 143 -7.940 15.738 -8.737 1.00 1.95 O ATOM 834 ND2 ASN A 143 -7.419 16.577 -6.790 1.00 1.70 N ATOM 0 H ASN A 143 -5.644 17.170 -9.071 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.990 17.731 -10.788 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -7.276 18.832 -8.027 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -8.869 18.454 -8.652 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -7.350 15.644 -6.383 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -7.244 17.400 -6.213 1.00 1.70 H new ATOM 841 N ASN A 144 -5.664 19.847 -10.661 1.00 0.86 N ATOM 842 CA ASN A 144 -5.263 21.219 -11.087 1.00 0.93 C ATOM 843 C ASN A 144 -5.827 22.258 -10.115 1.00 1.03 C ATOM 844 O ASN A 144 -6.371 23.268 -10.517 1.00 1.71 O ATOM 845 CB ASN A 144 -5.869 21.398 -12.479 1.00 1.08 C ATOM 846 CG ASN A 144 -5.621 22.827 -12.971 1.00 1.49 C ATOM 847 OD1 ASN A 144 -4.711 23.562 -12.389 1.00 2.18 O flip ATOM 848 ND2 ASN A 144 -6.263 23.280 -13.898 1.00 1.97 N flip ATOM 0 H ASN A 144 -4.892 19.198 -10.507 1.00 0.86 H new ATOM 0 HA ASN A 144 -4.181 21.349 -11.098 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -5.428 20.683 -13.173 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -6.939 21.194 -12.449 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -6.974 22.708 -14.354 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -6.091 24.232 -14.220 1.00 1.97 H new ATOM 855 N ASP A 145 -5.699 22.019 -8.839 1.00 0.88 N ATOM 856 CA ASP A 145 -6.225 22.994 -7.842 1.00 0.92 C ATOM 857 C ASP A 145 -5.115 23.957 -7.413 1.00 0.91 C ATOM 858 O ASP A 145 -5.368 24.994 -6.833 1.00 1.07 O ATOM 859 CB ASP A 145 -6.687 22.140 -6.660 1.00 0.93 C ATOM 860 CG ASP A 145 -7.605 21.026 -7.165 1.00 1.40 C ATOM 861 OD1 ASP A 145 -8.049 21.119 -8.298 1.00 1.89 O ATOM 862 OD2 ASP A 145 -7.850 20.099 -6.410 1.00 2.06 O ATOM 0 H ASP A 145 -5.253 21.191 -8.444 1.00 0.88 H new ATOM 0 HA ASP A 145 -7.035 23.603 -8.243 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -5.825 21.712 -6.148 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.214 22.759 -5.934 1.00 0.93 H new ATOM 867 N GLY A 146 -3.886 23.621 -7.696 1.00 0.84 N ATOM 868 CA GLY A 146 -2.759 24.516 -7.310 1.00 0.92 C ATOM 869 C GLY A 146 -2.235 24.121 -5.928 1.00 0.66 C ATOM 870 O GLY A 146 -1.176 24.548 -5.512 1.00 0.74 O ATOM 0 H GLY A 146 -3.614 22.764 -8.178 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -1.958 24.446 -8.046 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -3.093 25.553 -7.300 1.00 0.92 H new ATOM 874 N ARG A 147 -2.966 23.312 -5.212 1.00 0.56 N ATOM 875 CA ARG A 147 -2.504 22.895 -3.855 1.00 0.54 C ATOM 876 C ARG A 147 -2.445 21.368 -3.754 1.00 0.46 C ATOM 877 O ARG A 147 -3.393 20.677 -4.071 1.00 0.45 O ATOM 878 CB ARG A 147 -3.552 23.455 -2.891 1.00 0.77 C ATOM 879 CG ARG A 147 -4.898 22.770 -3.142 1.00 1.39 C ATOM 880 CD ARG A 147 -6.035 23.757 -2.863 1.00 1.79 C ATOM 881 NE ARG A 147 -6.837 23.126 -1.778 1.00 2.55 N ATOM 882 CZ ARG A 147 -7.740 23.822 -1.139 1.00 2.87 C ATOM 883 NH1 ARG A 147 -7.938 25.076 -1.443 1.00 3.10 N ATOM 884 NH2 ARG A 147 -8.445 23.262 -0.194 1.00 3.37 N ATOM 0 H ARG A 147 -3.861 22.922 -5.506 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.503 23.263 -3.632 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -3.236 23.293 -1.860 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -3.649 24.532 -3.029 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -4.952 22.418 -4.172 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -4.997 21.894 -2.501 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -5.648 24.728 -2.554 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -6.640 23.924 -3.754 1.00 1.79 H new ATOM 0 HE ARG A 147 -6.681 22.148 -1.533 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -7.387 25.515 -2.181 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -8.643 25.617 -0.943 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -8.291 22.282 0.045 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -9.150 23.804 0.306 1.00 3.37 H new ATOM 898 N ILE A 148 -1.338 20.837 -3.307 1.00 0.49 N ATOM 899 CA ILE A 148 -1.218 19.356 -3.177 1.00 0.44 C ATOM 900 C ILE A 148 -1.291 18.953 -1.701 1.00 0.46 C ATOM 901 O ILE A 148 -0.449 19.320 -0.905 1.00 0.63 O ATOM 902 CB ILE A 148 0.155 19.017 -3.763 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.071 19.011 -5.291 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.600 17.636 -3.276 1.00 0.47 C ATOM 905 CD1 ILE A 148 1.410 18.552 -5.872 1.00 0.63 C ATOM 0 H ILE A 148 -0.512 21.365 -3.026 1.00 0.49 H new ATOM 0 HA ILE A 148 -2.019 18.826 -3.692 1.00 0.44 H new ATOM 0 HB ILE A 148 0.878 19.766 -3.438 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.728 18.346 -5.620 1.00 0.56 H new ATOM 0 HG13 ILE A 148 -0.174 20.008 -5.657 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.578 17.400 -3.696 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.663 17.637 -2.188 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.123 16.887 -3.597 1.00 0.47 H new ATOM 0 HD11 ILE A 148 1.352 18.547 -6.960 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.198 19.235 -5.554 1.00 0.63 H new ATOM 0 HD13 ILE A 148 1.636 17.547 -5.516 1.00 0.63 H new ATOM 917 N ASP A 149 -2.290 18.200 -1.329 1.00 0.48 N ATOM 918 CA ASP A 149 -2.413 17.777 0.096 1.00 0.53 C ATOM 919 C ASP A 149 -1.852 16.364 0.279 1.00 0.53 C ATOM 920 O ASP A 149 -1.558 15.674 -0.677 1.00 0.63 O ATOM 921 CB ASP A 149 -3.913 17.801 0.390 1.00 0.58 C ATOM 922 CG ASP A 149 -4.599 16.656 -0.358 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.282 15.513 -0.072 1.00 1.65 O ATOM 924 OD2 ASP A 149 -5.432 16.941 -1.203 1.00 1.84 O ATOM 0 H ASP A 149 -3.025 17.860 -1.949 1.00 0.48 H new ATOM 0 HA ASP A 149 -1.856 18.429 0.769 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.086 17.704 1.462 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.339 18.756 0.084 1.00 0.58 H new ATOM 929 N TYR A 150 -1.703 15.930 1.500 1.00 0.58 N ATOM 930 CA TYR A 150 -1.162 14.562 1.746 1.00 0.60 C ATOM 931 C TYR A 150 -1.983 13.523 0.977 1.00 0.59 C ATOM 932 O TYR A 150 -1.456 12.755 0.197 1.00 0.63 O ATOM 933 CB TYR A 150 -1.302 14.348 3.253 1.00 0.73 C ATOM 934 CG TYR A 150 -0.677 13.028 3.636 1.00 0.72 C ATOM 935 CD1 TYR A 150 0.709 12.933 3.806 1.00 1.15 C ATOM 936 CD2 TYR A 150 -1.484 11.899 3.823 1.00 1.22 C ATOM 937 CE1 TYR A 150 1.289 11.710 4.162 1.00 1.43 C ATOM 938 CE2 TYR A 150 -0.905 10.676 4.179 1.00 1.56 C ATOM 939 CZ TYR A 150 0.482 10.581 4.349 1.00 1.48 C ATOM 940 OH TYR A 150 1.052 9.374 4.700 1.00 1.96 O ATOM 0 H TYR A 150 -1.932 16.463 2.339 1.00 0.58 H new ATOM 0 HA TYR A 150 -0.129 14.459 1.414 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -0.818 15.162 3.793 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -2.355 14.360 3.536 1.00 0.73 H new ATOM 0 HD1 TYR A 150 1.331 13.804 3.662 1.00 1.15 H new ATOM 0 HD2 TYR A 150 -2.554 11.972 3.692 1.00 1.22 H new ATOM 0 HE1 TYR A 150 2.359 11.637 4.292 1.00 1.43 H new ATOM 0 HE2 TYR A 150 -1.528 9.805 4.323 1.00 1.56 H new ATOM 0 HH TYR A 150 1.524 9.471 5.553 1.00 1.96 H new ATOM 950 N ASP A 151 -3.269 13.495 1.191 1.00 0.64 N ATOM 951 CA ASP A 151 -4.125 12.506 0.474 1.00 0.70 C ATOM 952 C ASP A 151 -3.776 12.481 -1.017 1.00 0.63 C ATOM 953 O ASP A 151 -4.010 11.505 -1.701 1.00 0.77 O ATOM 954 CB ASP A 151 -5.557 13.001 0.679 1.00 0.79 C ATOM 955 CG ASP A 151 -6.184 12.274 1.870 1.00 1.24 C ATOM 956 OD1 ASP A 151 -6.343 11.067 1.783 1.00 1.90 O ATOM 957 OD2 ASP A 151 -6.493 12.935 2.847 1.00 1.83 O ATOM 0 H ASP A 151 -3.766 14.114 1.832 1.00 0.64 H new ATOM 0 HA ASP A 151 -3.984 11.492 0.849 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -5.559 14.077 0.854 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -6.147 12.823 -0.220 1.00 0.79 H new ATOM 962 N GLU A 152 -3.220 13.547 -1.525 1.00 0.54 N ATOM 963 CA GLU A 152 -2.860 13.581 -2.972 1.00 0.56 C ATOM 964 C GLU A 152 -1.401 13.158 -3.167 1.00 0.52 C ATOM 965 O GLU A 152 -1.021 12.668 -4.212 1.00 0.65 O ATOM 966 CB GLU A 152 -3.057 15.037 -3.393 1.00 0.60 C ATOM 967 CG GLU A 152 -4.273 15.144 -4.317 1.00 0.77 C ATOM 968 CD GLU A 152 -4.644 16.616 -4.505 1.00 0.72 C ATOM 969 OE1 GLU A 152 -3.870 17.460 -4.085 1.00 1.40 O ATOM 970 OE2 GLU A 152 -5.697 16.874 -5.065 1.00 1.17 O ATOM 0 H GLU A 152 -3.000 14.395 -1.002 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.468 12.898 -3.565 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.200 15.664 -2.513 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.166 15.402 -3.904 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -4.051 14.688 -5.282 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.115 14.597 -3.892 1.00 0.77 H new ATOM 977 N PHE A 153 -0.579 13.345 -2.171 1.00 0.46 N ATOM 978 CA PHE A 153 0.856 12.956 -2.302 1.00 0.46 C ATOM 979 C PHE A 153 0.982 11.443 -2.505 1.00 0.50 C ATOM 980 O PHE A 153 1.946 10.961 -3.065 1.00 0.64 O ATOM 981 CB PHE A 153 1.504 13.375 -0.983 1.00 0.49 C ATOM 982 CG PHE A 153 2.986 13.092 -1.038 1.00 0.48 C ATOM 983 CD1 PHE A 153 3.795 13.776 -1.953 1.00 0.62 C ATOM 984 CD2 PHE A 153 3.550 12.145 -0.175 1.00 0.52 C ATOM 985 CE1 PHE A 153 5.169 13.513 -2.006 1.00 0.73 C ATOM 986 CE2 PHE A 153 4.924 11.882 -0.226 1.00 0.61 C ATOM 987 CZ PHE A 153 5.734 12.567 -1.142 1.00 0.68 C ATOM 0 H PHE A 153 -0.838 13.750 -1.272 1.00 0.46 H new ATOM 0 HA PHE A 153 1.333 13.431 -3.160 1.00 0.46 H new ATOM 0 HB2 PHE A 153 1.332 14.436 -0.802 1.00 0.49 H new ATOM 0 HB3 PHE A 153 1.050 12.832 -0.154 1.00 0.49 H new ATOM 0 HD1 PHE A 153 3.359 14.507 -2.618 1.00 0.62 H new ATOM 0 HD2 PHE A 153 2.925 11.617 0.530 1.00 0.52 H new ATOM 0 HE1 PHE A 153 5.793 14.040 -2.713 1.00 0.73 H new ATOM 0 HE2 PHE A 153 5.360 11.152 0.440 1.00 0.61 H new ATOM 0 HZ PHE A 153 6.794 12.365 -1.181 1.00 0.68 H new ATOM 997 N LEU A 154 0.017 10.691 -2.053 1.00 0.53 N ATOM 998 CA LEU A 154 0.085 9.210 -2.219 1.00 0.62 C ATOM 999 C LEU A 154 0.184 8.847 -3.703 1.00 0.65 C ATOM 1000 O LEU A 154 1.153 8.264 -4.147 1.00 0.83 O ATOM 1001 CB LEU A 154 -1.222 8.684 -1.626 1.00 0.75 C ATOM 1002 CG LEU A 154 -1.004 8.308 -0.159 1.00 0.91 C ATOM 1003 CD1 LEU A 154 0.006 7.164 -0.069 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -0.468 9.522 0.604 1.00 1.20 C ATOM 0 H LEU A 154 -0.816 11.037 -1.576 1.00 0.53 H new ATOM 0 HA LEU A 154 0.958 8.780 -1.728 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -2.001 9.442 -1.706 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -1.565 7.815 -2.188 1.00 0.75 H new ATOM 0 HG LEU A 154 -1.951 7.991 0.279 1.00 0.91 H new ATOM 0 HD11 LEU A 154 0.161 6.897 0.976 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -0.375 6.299 -0.612 1.00 1.65 H new ATOM 0 HD13 LEU A 154 0.953 7.479 -0.507 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -0.312 9.255 1.649 1.00 1.20 H new ATOM 0 HD22 LEU A 154 0.478 9.839 0.166 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -1.188 10.338 0.541 1.00 1.20 H new ATOM 1016 N GLU A 155 -0.814 9.185 -4.475 1.00 0.69 N ATOM 1017 CA GLU A 155 -0.775 8.855 -5.928 1.00 0.81 C ATOM 1018 C GLU A 155 0.562 9.289 -6.535 1.00 0.76 C ATOM 1019 O GLU A 155 1.002 8.756 -7.535 1.00 0.90 O ATOM 1020 CB GLU A 155 -1.929 9.644 -6.549 1.00 0.97 C ATOM 1021 CG GLU A 155 -2.297 9.029 -7.901 1.00 1.41 C ATOM 1022 CD GLU A 155 -3.024 10.069 -8.756 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -3.339 11.125 -8.230 1.00 2.77 O ATOM 1024 OE2 GLU A 155 -3.255 9.793 -9.922 1.00 2.57 O ATOM 0 H GLU A 155 -1.653 9.674 -4.163 1.00 0.69 H new ATOM 0 HA GLU A 155 -0.872 7.785 -6.109 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -2.793 9.630 -5.884 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -1.642 10.688 -6.678 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -1.398 8.686 -8.413 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -2.932 8.156 -7.754 1.00 1.41 H new ATOM 1031 N PHE A 156 1.214 10.250 -5.940 1.00 0.66 N ATOM 1032 CA PHE A 156 2.522 10.712 -6.488 1.00 0.77 C ATOM 1033 C PHE A 156 3.617 9.687 -6.180 1.00 0.71 C ATOM 1034 O PHE A 156 4.270 9.177 -7.068 1.00 0.88 O ATOM 1035 CB PHE A 156 2.810 12.034 -5.776 1.00 0.84 C ATOM 1036 CG PHE A 156 4.102 12.614 -6.302 1.00 1.01 C ATOM 1037 CD1 PHE A 156 4.286 12.779 -7.680 1.00 1.09 C ATOM 1038 CD2 PHE A 156 5.117 12.984 -5.411 1.00 1.49 C ATOM 1039 CE1 PHE A 156 5.484 13.315 -8.167 1.00 1.31 C ATOM 1040 CE2 PHE A 156 6.316 13.520 -5.899 1.00 1.72 C ATOM 1041 CZ PHE A 156 6.499 13.685 -7.277 1.00 1.53 C ATOM 0 H PHE A 156 0.899 10.735 -5.100 1.00 0.66 H new ATOM 0 HA PHE A 156 2.494 10.832 -7.571 1.00 0.77 H new ATOM 0 HB2 PHE A 156 1.991 12.734 -5.939 1.00 0.84 H new ATOM 0 HB3 PHE A 156 2.882 11.873 -4.700 1.00 0.84 H new ATOM 0 HD1 PHE A 156 3.504 12.493 -8.367 1.00 1.09 H new ATOM 0 HD2 PHE A 156 4.976 12.856 -4.348 1.00 1.49 H new ATOM 0 HE1 PHE A 156 5.625 13.443 -9.230 1.00 1.31 H new ATOM 0 HE2 PHE A 156 7.099 13.806 -5.212 1.00 1.72 H new ATOM 0 HZ PHE A 156 7.423 14.098 -7.653 1.00 1.53 H new ATOM 1051 N MET A 157 3.823 9.382 -4.927 1.00 0.61 N ATOM 1052 CA MET A 157 4.877 8.390 -4.566 1.00 0.69 C ATOM 1053 C MET A 157 4.440 6.980 -4.973 1.00 0.83 C ATOM 1054 O MET A 157 5.202 6.037 -4.892 1.00 1.17 O ATOM 1055 CB MET A 157 5.015 8.494 -3.046 1.00 0.84 C ATOM 1056 CG MET A 157 5.220 9.957 -2.650 1.00 0.92 C ATOM 1057 SD MET A 157 6.560 10.669 -3.637 1.00 1.56 S ATOM 1058 CE MET A 157 7.881 10.454 -2.419 1.00 0.90 C ATOM 0 H MET A 157 3.308 9.776 -4.139 1.00 0.61 H new ATOM 0 HA MET A 157 5.821 8.587 -5.074 1.00 0.69 H new ATOM 0 HB2 MET A 157 4.123 8.097 -2.561 1.00 0.84 H new ATOM 0 HB3 MET A 157 5.858 7.893 -2.705 1.00 0.84 H new ATOM 0 HG2 MET A 157 4.300 10.520 -2.808 1.00 0.92 H new ATOM 0 HG3 MET A 157 5.459 10.027 -1.589 1.00 0.92 H new ATOM 0 HE1 MET A 157 8.527 11.332 -2.425 1.00 0.90 H new ATOM 0 HE2 MET A 157 7.445 10.331 -1.428 1.00 0.90 H new ATOM 0 HE3 MET A 157 8.467 9.570 -2.670 1.00 0.90 H new ATOM 1068 N LYS A 158 3.220 6.829 -5.410 1.00 0.86 N ATOM 1069 CA LYS A 158 2.737 5.479 -5.823 1.00 1.07 C ATOM 1070 C LYS A 158 3.404 5.059 -7.135 1.00 1.36 C ATOM 1071 O LYS A 158 2.769 4.977 -8.167 1.00 1.73 O ATOM 1072 CB LYS A 158 1.229 5.640 -6.017 1.00 1.28 C ATOM 1073 CG LYS A 158 0.485 4.801 -4.975 1.00 1.66 C ATOM 1074 CD LYS A 158 0.101 3.451 -5.584 1.00 2.24 C ATOM 1075 CE LYS A 158 -0.197 2.452 -4.463 1.00 2.85 C ATOM 1076 NZ LYS A 158 -1.683 2.349 -4.424 1.00 3.52 N ATOM 0 H LYS A 158 2.536 7.581 -5.499 1.00 0.86 H new ATOM 0 HA LYS A 158 2.973 4.712 -5.086 1.00 1.07 H new ATOM 0 HB2 LYS A 158 0.950 6.689 -5.921 1.00 1.28 H new ATOM 0 HB3 LYS A 158 0.946 5.326 -7.021 1.00 1.28 H new ATOM 0 HG2 LYS A 158 1.114 4.650 -4.098 1.00 1.66 H new ATOM 0 HG3 LYS A 158 -0.408 5.328 -4.640 1.00 1.66 H new ATOM 0 HD2 LYS A 158 -0.773 3.565 -6.226 1.00 2.24 H new ATOM 0 HD3 LYS A 158 0.911 3.079 -6.211 1.00 2.24 H new ATOM 0 HE2 LYS A 158 0.261 1.484 -4.665 1.00 2.85 H new ATOM 0 HE3 LYS A 158 0.200 2.799 -3.509 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -1.965 1.681 -3.679 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -2.091 3.284 -4.223 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -2.032 2.010 -5.343 1.00 3.52 H new