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 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.51) USER MOD Single : A 107 ASN : amide:sc= -0.955 K(o=-0.96,f=-2!) 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 147:sc= -0.727 (180deg=-5.64!) USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 124 THR OG1 : rot -71:sc= 0.885 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot -91:sc= 0.162 USER MOD Single : A 137 MET CE :methyl 169:sc= -8.63! (180deg=-8.93!) USER MOD Single : A 138 LYS NZ :NH3+ -152:sc= -1.4 (180deg=-2.06!) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= 0.0555 X(o=0.055,f=-0.15) USER MOD Single : A 144 ASN : amide:sc= -2.77! C(o=-2.8!,f=-6.5!) USER MOD Single : A 150 TYR OH : rot 157:sc= -1.86! USER MOD Single : A 157 MET CE :methyl 161:sc= -0.758 (180deg=-2.34!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 92 8.310 4.252 1.729 1.00 1.27 N ATOM 28 CA LYS A 92 7.614 2.968 2.027 1.00 1.47 C ATOM 29 C LYS A 92 6.098 3.168 1.976 1.00 1.40 C ATOM 30 O LYS A 92 5.589 3.926 1.175 1.00 1.56 O ATOM 31 CB LYS A 92 8.057 2.599 3.443 1.00 1.61 C ATOM 32 CG LYS A 92 8.080 1.077 3.592 1.00 1.94 C ATOM 33 CD LYS A 92 9.404 0.646 4.225 1.00 2.31 C ATOM 34 CE LYS A 92 9.403 -0.871 4.429 1.00 2.59 C ATOM 35 NZ LYS A 92 10.006 -1.077 5.775 1.00 3.20 N ATOM 0 HA LYS A 92 7.858 2.187 1.306 1.00 1.47 H new ATOM 0 HB2 LYS A 92 9.047 3.009 3.644 1.00 1.61 H new ATOM 0 HB3 LYS A 92 7.376 3.036 4.174 1.00 1.61 H new ATOM 0 HG2 LYS A 92 7.245 0.749 4.211 1.00 1.94 H new ATOM 0 HG3 LYS A 92 7.960 0.604 2.618 1.00 1.94 H new ATOM 0 HD2 LYS A 92 10.237 0.937 3.585 1.00 2.31 H new ATOM 0 HD3 LYS A 92 9.544 1.152 5.180 1.00 2.31 H new ATOM 0 HE2 LYS A 92 8.392 -1.275 4.383 1.00 2.59 H new ATOM 0 HE3 LYS A 92 9.983 -1.374 3.655 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 10.040 -2.094 5.988 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 10.971 -0.688 5.786 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 9.429 -0.592 6.492 1.00 3.20 H new ATOM 49 N SER A 93 5.373 2.496 2.827 1.00 1.38 N ATOM 50 CA SER A 93 3.891 2.653 2.828 1.00 1.40 C ATOM 51 C SER A 93 3.518 4.065 3.286 1.00 1.20 C ATOM 52 O SER A 93 4.350 4.949 3.340 1.00 1.08 O ATOM 53 CB SER A 93 3.380 1.612 3.823 1.00 1.60 C ATOM 54 OG SER A 93 3.310 0.345 3.184 1.00 2.20 O ATOM 0 H SER A 93 5.742 1.846 3.521 1.00 1.38 H new ATOM 0 HA SER A 93 3.457 2.511 1.838 1.00 1.40 H new ATOM 0 HB2 SER A 93 4.044 1.561 4.686 1.00 1.60 H new ATOM 0 HB3 SER A 93 2.396 1.899 4.194 1.00 1.60 H new ATOM 0 HG SER A 93 2.984 -0.325 3.821 1.00 2.20 H new ATOM 60 N GLU A 94 2.276 4.285 3.618 1.00 1.26 N ATOM 61 CA GLU A 94 1.859 5.643 4.071 1.00 1.17 C ATOM 62 C GLU A 94 2.572 6.009 5.377 1.00 1.12 C ATOM 63 O GLU A 94 2.517 7.136 5.829 1.00 1.09 O ATOM 64 CB GLU A 94 0.350 5.545 4.289 1.00 1.33 C ATOM 65 CG GLU A 94 -0.375 6.223 3.125 1.00 1.28 C ATOM 66 CD GLU A 94 -0.966 5.157 2.200 1.00 1.44 C ATOM 67 OE1 GLU A 94 -0.652 3.994 2.393 1.00 2.09 O ATOM 68 OE2 GLU A 94 -1.721 5.521 1.314 1.00 1.94 O ATOM 0 H GLU A 94 1.533 3.586 3.596 1.00 1.26 H new ATOM 0 HA GLU A 94 2.114 6.416 3.346 1.00 1.17 H new ATOM 0 HB2 GLU A 94 0.049 4.500 4.361 1.00 1.33 H new ATOM 0 HB3 GLU A 94 0.075 6.021 5.230 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -1.166 6.870 3.503 1.00 1.28 H new ATOM 0 HG3 GLU A 94 0.318 6.857 2.571 1.00 1.28 H new ATOM 75 N GLU A 95 3.242 5.068 5.986 1.00 1.19 N ATOM 76 CA GLU A 95 3.959 5.366 7.259 1.00 1.23 C ATOM 77 C GLU A 95 4.949 6.514 7.046 1.00 1.03 C ATOM 78 O GLU A 95 4.761 7.609 7.539 1.00 1.01 O ATOM 79 CB GLU A 95 4.700 4.075 7.610 1.00 1.45 C ATOM 80 CG GLU A 95 4.812 3.947 9.131 1.00 1.90 C ATOM 81 CD GLU A 95 4.674 2.477 9.531 1.00 2.12 C ATOM 82 OE1 GLU A 95 4.576 1.648 8.642 1.00 2.66 O ATOM 83 OE2 GLU A 95 4.671 2.205 10.721 1.00 2.49 O ATOM 0 H GLU A 95 3.324 4.106 5.657 1.00 1.19 H new ATOM 0 HA GLU A 95 3.281 5.673 8.055 1.00 1.23 H new ATOM 0 HB2 GLU A 95 4.169 3.216 7.200 1.00 1.45 H new ATOM 0 HB3 GLU A 95 5.693 4.080 7.161 1.00 1.45 H new ATOM 0 HG2 GLU A 95 5.771 4.339 9.470 1.00 1.90 H new ATOM 0 HG3 GLU A 95 4.036 4.541 9.615 1.00 1.90 H new ATOM 90 N GLU A 96 5.998 6.276 6.307 1.00 1.02 N ATOM 91 CA GLU A 96 6.993 7.356 6.057 1.00 0.94 C ATOM 92 C GLU A 96 6.448 8.323 5.005 1.00 0.79 C ATOM 93 O GLU A 96 6.830 9.475 4.945 1.00 0.82 O ATOM 94 CB GLU A 96 8.235 6.638 5.532 1.00 1.15 C ATOM 95 CG GLU A 96 9.433 6.970 6.424 1.00 1.62 C ATOM 96 CD GLU A 96 9.290 6.246 7.764 1.00 1.99 C ATOM 97 OE1 GLU A 96 8.942 5.077 7.748 1.00 2.18 O ATOM 98 OE2 GLU A 96 9.533 6.872 8.782 1.00 2.78 O ATOM 0 H GLU A 96 6.209 5.381 5.866 1.00 1.02 H new ATOM 0 HA GLU A 96 7.212 7.939 6.952 1.00 0.94 H new ATOM 0 HB2 GLU A 96 8.066 5.561 5.518 1.00 1.15 H new ATOM 0 HB3 GLU A 96 8.437 6.943 4.505 1.00 1.15 H new ATOM 0 HG2 GLU A 96 10.359 6.670 5.934 1.00 1.62 H new ATOM 0 HG3 GLU A 96 9.492 8.046 6.585 1.00 1.62 H new ATOM 105 N LEU A 97 5.554 7.858 4.178 1.00 0.77 N ATOM 106 CA LEU A 97 4.974 8.740 3.127 1.00 0.71 C ATOM 107 C LEU A 97 4.358 9.987 3.765 1.00 0.67 C ATOM 108 O LEU A 97 4.243 11.023 3.142 1.00 0.75 O ATOM 109 CB LEU A 97 3.893 7.887 2.461 1.00 0.80 C ATOM 110 CG LEU A 97 4.277 7.613 1.007 1.00 0.77 C ATOM 111 CD1 LEU A 97 4.107 8.892 0.187 1.00 1.40 C ATOM 112 CD2 LEU A 97 5.735 7.153 0.943 1.00 1.22 C ATOM 0 H LEU A 97 5.199 6.902 4.185 1.00 0.77 H new ATOM 0 HA LEU A 97 5.721 9.088 2.414 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.775 6.947 3.000 1.00 0.80 H new ATOM 0 HB3 LEU A 97 2.933 8.401 2.503 1.00 0.80 H new ATOM 0 HG LEU A 97 3.633 6.833 0.600 1.00 0.77 H new ATOM 0 HD11 LEU A 97 4.380 8.698 -0.850 1.00 1.40 H new ATOM 0 HD12 LEU A 97 3.068 9.219 0.233 1.00 1.40 H new ATOM 0 HD13 LEU A 97 4.751 9.672 0.592 1.00 1.40 H new ATOM 0 HD21 LEU A 97 6.010 6.957 -0.094 1.00 1.22 H new ATOM 0 HD22 LEU A 97 6.380 7.932 1.349 1.00 1.22 H new ATOM 0 HD23 LEU A 97 5.855 6.241 1.528 1.00 1.22 H new ATOM 124 N SER A 98 3.960 9.893 5.005 1.00 0.69 N ATOM 125 CA SER A 98 3.351 11.073 5.683 1.00 0.76 C ATOM 126 C SER A 98 4.437 12.078 6.077 1.00 0.72 C ATOM 127 O SER A 98 4.269 13.273 5.940 1.00 0.77 O ATOM 128 CB SER A 98 2.670 10.504 6.927 1.00 0.92 C ATOM 129 OG SER A 98 1.913 11.529 7.557 1.00 1.57 O ATOM 0 H SER A 98 4.030 9.051 5.577 1.00 0.69 H new ATOM 0 HA SER A 98 2.649 11.603 5.039 1.00 0.76 H new ATOM 0 HB2 SER A 98 2.021 9.673 6.652 1.00 0.92 H new ATOM 0 HB3 SER A 98 3.417 10.111 7.617 1.00 0.92 H new ATOM 0 HG SER A 98 1.473 11.168 8.355 1.00 1.57 H new ATOM 135 N ASP A 99 5.551 11.603 6.565 1.00 0.80 N ATOM 136 CA ASP A 99 6.644 12.534 6.967 1.00 0.86 C ATOM 137 C ASP A 99 7.282 13.167 5.727 1.00 0.81 C ATOM 138 O ASP A 99 7.605 14.337 5.714 1.00 0.91 O ATOM 139 CB ASP A 99 7.657 11.661 7.708 1.00 1.02 C ATOM 140 CG ASP A 99 6.927 10.781 8.724 1.00 1.23 C ATOM 141 OD1 ASP A 99 6.590 11.286 9.782 1.00 1.79 O ATOM 142 OD2 ASP A 99 6.718 9.616 8.427 1.00 1.83 O ATOM 0 H ASP A 99 5.751 10.612 6.702 1.00 0.80 H new ATOM 0 HA ASP A 99 6.282 13.352 7.589 1.00 0.86 H new ATOM 0 HB2 ASP A 99 8.204 11.039 6.999 1.00 1.02 H new ATOM 0 HB3 ASP A 99 8.391 12.288 8.215 1.00 1.02 H new ATOM 147 N LEU A 100 7.463 12.406 4.682 1.00 0.75 N ATOM 148 CA LEU A 100 8.076 12.977 3.449 1.00 0.76 C ATOM 149 C LEU A 100 7.378 14.289 3.086 1.00 0.68 C ATOM 150 O LEU A 100 7.983 15.343 3.070 1.00 0.79 O ATOM 151 CB LEU A 100 7.840 11.926 2.363 1.00 0.86 C ATOM 152 CG LEU A 100 8.767 10.733 2.596 1.00 0.79 C ATOM 153 CD1 LEU A 100 8.597 9.726 1.458 1.00 1.41 C ATOM 154 CD2 LEU A 100 10.219 11.215 2.635 1.00 1.41 C ATOM 0 H LEU A 100 7.214 11.418 4.628 1.00 0.75 H new ATOM 0 HA LEU A 100 9.136 13.198 3.574 1.00 0.76 H new ATOM 0 HB2 LEU A 100 6.800 11.600 2.378 1.00 0.86 H new ATOM 0 HB3 LEU A 100 8.025 12.357 1.379 1.00 0.86 H new ATOM 0 HG LEU A 100 8.515 10.258 3.544 1.00 0.79 H new ATOM 0 HD11 LEU A 100 9.258 8.875 1.623 1.00 1.41 H new ATOM 0 HD12 LEU A 100 7.563 9.382 1.428 1.00 1.41 H new ATOM 0 HD13 LEU A 100 8.849 10.202 0.510 1.00 1.41 H new ATOM 0 HD21 LEU A 100 10.880 10.365 2.801 1.00 1.41 H new ATOM 0 HD22 LEU A 100 10.470 11.690 1.687 1.00 1.41 H new ATOM 0 HD23 LEU A 100 10.342 11.934 3.445 1.00 1.41 H new ATOM 166 N PHE A 101 6.107 14.232 2.802 1.00 0.60 N ATOM 167 CA PHE A 101 5.365 15.475 2.447 1.00 0.59 C ATOM 168 C PHE A 101 5.697 16.586 3.447 1.00 0.60 C ATOM 169 O PHE A 101 5.708 17.753 3.112 1.00 0.72 O ATOM 170 CB PHE A 101 3.888 15.088 2.539 1.00 0.61 C ATOM 171 CG PHE A 101 3.031 16.323 2.406 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.873 17.186 3.496 1.00 0.68 C ATOM 173 CD2 PHE A 101 2.393 16.603 1.192 1.00 0.86 C ATOM 174 CE1 PHE A 101 2.077 18.331 3.372 1.00 0.73 C ATOM 175 CE2 PHE A 101 1.596 17.747 1.068 1.00 0.90 C ATOM 176 CZ PHE A 101 1.438 18.611 2.159 1.00 0.69 C ATOM 0 H PHE A 101 5.549 13.378 2.800 1.00 0.60 H new ATOM 0 HA PHE A 101 5.626 15.851 1.458 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.639 14.374 1.754 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.689 14.596 3.491 1.00 0.61 H new ATOM 0 HD1 PHE A 101 3.365 16.969 4.433 1.00 0.68 H new ATOM 0 HD2 PHE A 101 2.516 15.936 0.351 1.00 0.86 H new ATOM 0 HE1 PHE A 101 1.956 18.998 4.213 1.00 0.73 H new ATOM 0 HE2 PHE A 101 1.103 17.963 0.132 1.00 0.90 H new ATOM 0 HZ PHE A 101 0.823 19.494 2.064 1.00 0.69 H new ATOM 186 N ARG A 102 5.972 16.229 4.672 1.00 0.67 N ATOM 187 CA ARG A 102 6.308 17.262 5.693 1.00 0.76 C ATOM 188 C ARG A 102 7.733 17.776 5.469 1.00 0.68 C ATOM 189 O ARG A 102 8.047 18.912 5.765 1.00 0.78 O ATOM 190 CB ARG A 102 6.202 16.536 7.035 1.00 0.99 C ATOM 191 CG ARG A 102 6.403 17.532 8.178 1.00 1.30 C ATOM 192 CD ARG A 102 6.554 16.770 9.496 1.00 1.45 C ATOM 193 NE ARG A 102 5.199 16.798 10.114 1.00 2.12 N ATOM 194 CZ ARG A 102 4.905 15.979 11.089 1.00 2.71 C ATOM 195 NH1 ARG A 102 5.798 15.136 11.531 1.00 3.07 N ATOM 196 NH2 ARG A 102 3.715 16.005 11.624 1.00 3.37 N ATOM 0 H ARG A 102 5.979 15.267 5.010 1.00 0.67 H new ATOM 0 HA ARG A 102 5.647 18.127 5.645 1.00 0.76 H new ATOM 0 HB2 ARG A 102 5.227 16.057 7.124 1.00 0.99 H new ATOM 0 HB3 ARG A 102 6.951 15.746 7.092 1.00 0.99 H new ATOM 0 HG2 ARG A 102 7.289 18.140 7.993 1.00 1.30 H new ATOM 0 HG3 ARG A 102 5.554 18.214 8.235 1.00 1.30 H new ATOM 0 HD2 ARG A 102 6.889 15.747 9.324 1.00 1.45 H new ATOM 0 HD3 ARG A 102 7.293 17.243 10.143 1.00 1.45 H new ATOM 0 HE ARG A 102 4.499 17.458 9.775 1.00 2.12 H new ATOM 0 HH11 ARG A 102 6.729 15.115 11.115 1.00 3.07 H new ATOM 0 HH12 ARG A 102 5.565 14.498 12.292 1.00 3.07 H new ATOM 0 HH21 ARG A 102 3.016 16.664 11.281 1.00 3.37 H new ATOM 0 HH22 ARG A 102 3.484 15.366 12.385 1.00 3.37 H new ATOM 210 N MET A 103 8.596 16.949 4.943 1.00 0.71 N ATOM 211 CA MET A 103 9.999 17.392 4.697 1.00 0.75 C ATOM 212 C MET A 103 10.091 18.133 3.360 1.00 0.68 C ATOM 213 O MET A 103 10.529 19.264 3.296 1.00 0.83 O ATOM 214 CB MET A 103 10.823 16.104 4.653 1.00 0.93 C ATOM 215 CG MET A 103 11.055 15.594 6.076 1.00 1.27 C ATOM 216 SD MET A 103 10.785 13.805 6.127 1.00 1.82 S ATOM 217 CE MET A 103 11.996 13.430 7.418 1.00 2.43 C ATOM 0 H MET A 103 8.391 15.987 4.673 1.00 0.71 H new ATOM 0 HA MET A 103 10.356 18.076 5.467 1.00 0.75 H new ATOM 0 HB2 MET A 103 10.303 15.348 4.065 1.00 0.93 H new ATOM 0 HB3 MET A 103 11.778 16.288 4.162 1.00 0.93 H new ATOM 0 HG2 MET A 103 12.070 15.829 6.397 1.00 1.27 H new ATOM 0 HG3 MET A 103 10.378 16.095 6.768 1.00 1.27 H new ATOM 0 HE1 MET A 103 11.998 12.358 7.614 1.00 2.43 H new ATOM 0 HE2 MET A 103 12.987 13.741 7.088 1.00 2.43 H new ATOM 0 HE3 MET A 103 11.733 13.965 8.330 1.00 2.43 H new ATOM 227 N PHE A 104 9.682 17.503 2.291 1.00 0.68 N ATOM 228 CA PHE A 104 9.747 18.175 0.962 1.00 0.79 C ATOM 229 C PHE A 104 9.184 19.595 1.063 1.00 0.71 C ATOM 230 O PHE A 104 9.747 20.536 0.541 1.00 0.88 O ATOM 231 CB PHE A 104 8.876 17.320 0.039 1.00 0.94 C ATOM 232 CG PHE A 104 9.505 15.959 -0.138 1.00 1.31 C ATOM 233 CD1 PHE A 104 10.893 15.841 -0.279 1.00 2.03 C ATOM 234 CD2 PHE A 104 8.699 14.815 -0.164 1.00 1.26 C ATOM 235 CE1 PHE A 104 11.475 14.578 -0.445 1.00 2.65 C ATOM 236 CE2 PHE A 104 9.281 13.552 -0.330 1.00 1.86 C ATOM 237 CZ PHE A 104 10.668 13.434 -0.470 1.00 2.56 C ATOM 0 H PHE A 104 9.307 16.555 2.281 1.00 0.68 H new ATOM 0 HA PHE A 104 10.769 18.260 0.593 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.876 17.217 0.460 1.00 0.94 H new ATOM 0 HB3 PHE A 104 8.766 17.809 -0.929 1.00 0.94 H new ATOM 0 HD1 PHE A 104 11.515 16.724 -0.260 1.00 2.03 H new ATOM 0 HD2 PHE A 104 7.628 14.906 -0.056 1.00 1.26 H new ATOM 0 HE1 PHE A 104 12.546 14.486 -0.554 1.00 2.65 H new ATOM 0 HE2 PHE A 104 8.659 12.669 -0.350 1.00 1.86 H new ATOM 0 HZ PHE A 104 11.117 12.460 -0.597 1.00 2.56 H new ATOM 247 N ASP A 105 8.076 19.754 1.733 1.00 0.61 N ATOM 248 CA ASP A 105 7.473 21.110 1.871 1.00 0.60 C ATOM 249 C ASP A 105 8.537 22.127 2.293 1.00 0.56 C ATOM 250 O ASP A 105 8.908 22.207 3.447 1.00 0.63 O ATOM 251 CB ASP A 105 6.414 20.958 2.963 1.00 0.68 C ATOM 252 CG ASP A 105 5.264 21.932 2.701 1.00 0.86 C ATOM 253 OD1 ASP A 105 5.481 22.894 1.983 1.00 0.84 O ATOM 254 OD2 ASP A 105 4.187 21.700 3.224 1.00 1.45 O ATOM 0 H ASP A 105 7.561 19.002 2.192 1.00 0.61 H new ATOM 0 HA ASP A 105 7.048 21.470 0.934 1.00 0.60 H new ATOM 0 HB2 ASP A 105 6.040 19.934 2.981 1.00 0.68 H new ATOM 0 HB3 ASP A 105 6.854 21.154 3.941 1.00 0.68 H new ATOM 259 N LYS A 106 9.028 22.907 1.369 1.00 0.59 N ATOM 260 CA LYS A 106 10.064 23.919 1.725 1.00 0.66 C ATOM 261 C LYS A 106 9.463 24.977 2.655 1.00 0.55 C ATOM 262 O LYS A 106 9.914 25.168 3.766 1.00 0.63 O ATOM 263 CB LYS A 106 10.480 24.546 0.394 1.00 0.87 C ATOM 264 CG LYS A 106 11.712 25.428 0.607 1.00 1.21 C ATOM 265 CD LYS A 106 12.893 24.560 1.046 1.00 1.61 C ATOM 266 CE LYS A 106 13.432 25.069 2.385 1.00 1.77 C ATOM 267 NZ LYS A 106 13.989 26.417 2.087 1.00 2.14 N ATOM 0 H LYS A 106 8.758 22.888 0.386 1.00 0.59 H new ATOM 0 HA LYS A 106 10.913 23.479 2.248 1.00 0.66 H new ATOM 0 HB2 LYS A 106 10.700 23.766 -0.334 1.00 0.87 H new ATOM 0 HB3 LYS A 106 9.661 25.139 -0.012 1.00 0.87 H new ATOM 0 HG2 LYS A 106 11.958 25.956 -0.314 1.00 1.21 H new ATOM 0 HG3 LYS A 106 11.504 26.186 1.362 1.00 1.21 H new ATOM 0 HD2 LYS A 106 12.579 23.521 1.140 1.00 1.61 H new ATOM 0 HD3 LYS A 106 13.679 24.588 0.291 1.00 1.61 H new ATOM 0 HE2 LYS A 106 12.641 25.125 3.133 1.00 1.77 H new ATOM 0 HE3 LYS A 106 14.199 24.403 2.781 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 14.801 26.603 2.710 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 14.299 26.453 1.095 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 13.257 27.138 2.248 1.00 2.14 H new ATOM 281 N ASN A 107 8.445 25.663 2.209 1.00 0.48 N ATOM 282 CA ASN A 107 7.813 26.704 3.070 1.00 0.50 C ATOM 283 C ASN A 107 7.104 26.044 4.255 1.00 0.58 C ATOM 284 O ASN A 107 6.816 26.676 5.251 1.00 0.70 O ATOM 285 CB ASN A 107 6.802 27.407 2.164 1.00 0.54 C ATOM 286 CG ASN A 107 5.829 28.222 3.019 1.00 0.70 C ATOM 287 OD1 ASN A 107 6.217 28.807 4.011 1.00 1.00 O ATOM 288 ND2 ASN A 107 4.572 28.286 2.674 1.00 0.78 N ATOM 0 H ASN A 107 8.024 25.548 1.287 1.00 0.48 H new ATOM 0 HA ASN A 107 8.543 27.401 3.482 1.00 0.50 H new ATOM 0 HB2 ASN A 107 7.320 28.060 1.462 1.00 0.54 H new ATOM 0 HB3 ASN A 107 6.255 26.672 1.573 1.00 0.54 H new ATOM 0 HD21 ASN A 107 3.916 28.827 3.237 1.00 0.78 H new ATOM 0 HD22 ASN A 107 4.246 27.795 1.841 1.00 0.78 H new ATOM 295 N ALA A 108 6.823 24.774 4.153 1.00 0.65 N ATOM 296 CA ALA A 108 6.134 24.069 5.271 1.00 0.84 C ATOM 297 C ALA A 108 4.987 24.926 5.815 1.00 0.78 C ATOM 298 O ALA A 108 5.174 25.750 6.688 1.00 0.96 O ATOM 299 CB ALA A 108 7.211 23.874 6.338 1.00 1.03 C ATOM 0 H ALA A 108 7.041 24.193 3.343 1.00 0.65 H new ATOM 0 HA ALA A 108 5.697 23.122 4.954 1.00 0.84 H new ATOM 0 HB1 ALA A 108 6.782 23.360 7.198 1.00 1.03 H new ATOM 0 HB2 ALA A 108 8.026 23.278 5.928 1.00 1.03 H new ATOM 0 HB3 ALA A 108 7.594 24.846 6.650 1.00 1.03 H new ATOM 305 N ASP A 109 3.801 24.734 5.306 1.00 0.73 N ATOM 306 CA ASP A 109 2.637 25.529 5.794 1.00 0.74 C ATOM 307 C ASP A 109 1.377 24.662 5.794 1.00 0.78 C ATOM 308 O ASP A 109 0.271 25.155 5.886 1.00 0.96 O ATOM 309 CB ASP A 109 2.491 26.678 4.795 1.00 0.72 C ATOM 310 CG ASP A 109 1.994 26.128 3.458 1.00 1.15 C ATOM 311 OD1 ASP A 109 2.486 25.090 3.048 1.00 1.66 O ATOM 312 OD2 ASP A 109 1.128 26.752 2.868 1.00 1.95 O ATOM 0 H ASP A 109 3.587 24.059 4.572 1.00 0.73 H new ATOM 0 HA ASP A 109 2.781 25.891 6.812 1.00 0.74 H new ATOM 0 HB2 ASP A 109 1.791 27.421 5.178 1.00 0.72 H new ATOM 0 HB3 ASP A 109 3.448 27.181 4.660 1.00 0.72 H new ATOM 317 N GLY A 110 1.539 23.371 5.685 1.00 0.76 N ATOM 318 CA GLY A 110 0.354 22.469 5.673 1.00 0.85 C ATOM 319 C GLY A 110 0.044 22.058 4.232 1.00 0.70 C ATOM 320 O GLY A 110 -0.792 21.211 3.985 1.00 0.73 O ATOM 0 H GLY A 110 2.442 22.903 5.604 1.00 0.76 H new ATOM 0 HA2 GLY A 110 0.549 21.586 6.281 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -0.506 22.974 6.112 1.00 0.85 H new ATOM 324 N TYR A 111 0.710 22.653 3.278 1.00 0.68 N ATOM 325 CA TYR A 111 0.452 22.297 1.853 1.00 0.60 C ATOM 326 C TYR A 111 1.669 22.643 0.988 1.00 0.58 C ATOM 327 O TYR A 111 2.225 23.719 1.085 1.00 0.83 O ATOM 328 CB TYR A 111 -0.751 23.149 1.444 1.00 0.68 C ATOM 329 CG TYR A 111 -1.902 22.882 2.384 1.00 0.68 C ATOM 330 CD1 TYR A 111 -2.720 21.762 2.189 1.00 0.78 C ATOM 331 CD2 TYR A 111 -2.152 23.753 3.451 1.00 0.71 C ATOM 332 CE1 TYR A 111 -3.786 21.513 3.062 1.00 0.83 C ATOM 333 CE2 TYR A 111 -3.218 23.504 4.323 1.00 0.78 C ATOM 334 CZ TYR A 111 -4.035 22.385 4.129 1.00 0.80 C ATOM 335 OH TYR A 111 -5.086 22.140 4.989 1.00 0.90 O ATOM 0 H TYR A 111 1.421 23.370 3.424 1.00 0.68 H new ATOM 0 HA TYR A 111 0.263 21.231 1.724 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -0.486 24.206 1.468 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.043 22.917 0.420 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -2.529 21.090 1.365 1.00 0.78 H new ATOM 0 HD2 TYR A 111 -1.522 24.617 3.601 1.00 0.71 H new ATOM 0 HE1 TYR A 111 -4.416 20.649 2.912 1.00 0.83 H new ATOM 0 HE2 TYR A 111 -3.410 24.176 5.146 1.00 0.78 H new ATOM 0 HH TYR A 111 -5.118 22.840 5.674 1.00 0.90 H new ATOM 345 N ILE A 112 2.082 21.740 0.140 1.00 0.50 N ATOM 346 CA ILE A 112 3.258 22.019 -0.735 1.00 0.50 C ATOM 347 C ILE A 112 2.814 22.819 -1.963 1.00 0.49 C ATOM 348 O ILE A 112 1.813 22.518 -2.581 1.00 0.66 O ATOM 349 CB ILE A 112 3.782 20.641 -1.145 1.00 0.50 C ATOM 350 CG1 ILE A 112 4.590 20.042 0.009 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.680 20.773 -2.377 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.714 18.530 -0.186 1.00 0.66 C ATOM 0 H ILE A 112 1.656 20.821 0.015 1.00 0.50 H new ATOM 0 HA ILE A 112 4.025 22.608 -0.231 1.00 0.50 H new ATOM 0 HB ILE A 112 2.939 19.991 -1.381 1.00 0.50 H new ATOM 0 HG12 ILE A 112 5.580 20.497 0.048 1.00 0.62 H new ATOM 0 HG13 ILE A 112 4.102 20.258 0.959 1.00 0.62 H new ATOM 0 HG21 ILE A 112 5.050 19.789 -2.664 1.00 0.58 H new ATOM 0 HG22 ILE A 112 4.108 21.200 -3.200 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.523 21.424 -2.145 1.00 0.58 H new ATOM 0 HD11 ILE A 112 5.289 18.103 0.636 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.720 18.083 -0.204 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.221 18.325 -1.129 1.00 0.66 H new ATOM 364 N ASP A 113 3.546 23.839 -2.320 1.00 0.47 N ATOM 365 CA ASP A 113 3.155 24.656 -3.505 1.00 0.50 C ATOM 366 C ASP A 113 4.012 24.288 -4.718 1.00 0.50 C ATOM 367 O ASP A 113 4.936 23.505 -4.625 1.00 0.57 O ATOM 368 CB ASP A 113 3.412 26.104 -3.088 1.00 0.60 C ATOM 369 CG ASP A 113 2.507 27.035 -3.894 1.00 1.17 C ATOM 370 OD1 ASP A 113 2.849 27.326 -5.029 1.00 1.77 O ATOM 371 OD2 ASP A 113 1.486 27.441 -3.364 1.00 1.85 O ATOM 0 H ASP A 113 4.396 24.142 -1.844 1.00 0.47 H new ATOM 0 HA ASP A 113 2.117 24.489 -3.793 1.00 0.50 H new ATOM 0 HB2 ASP A 113 3.220 26.226 -2.022 1.00 0.60 H new ATOM 0 HB3 ASP A 113 4.458 26.362 -3.255 1.00 0.60 H new ATOM 376 N LEU A 114 3.710 24.850 -5.858 1.00 0.52 N ATOM 377 CA LEU A 114 4.505 24.538 -7.081 1.00 0.57 C ATOM 378 C LEU A 114 5.919 25.108 -6.949 1.00 0.63 C ATOM 379 O LEU A 114 6.879 24.527 -7.415 1.00 0.80 O ATOM 380 CB LEU A 114 3.755 25.221 -8.225 1.00 0.62 C ATOM 381 CG LEU A 114 2.563 24.359 -8.642 1.00 0.61 C ATOM 382 CD1 LEU A 114 1.295 25.215 -8.664 1.00 0.91 C ATOM 383 CD2 LEU A 114 2.814 23.783 -10.037 1.00 0.81 C ATOM 0 H LEU A 114 2.946 25.512 -5.995 1.00 0.52 H new ATOM 0 HA LEU A 114 4.609 23.466 -7.246 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.412 26.207 -7.911 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.423 25.371 -9.073 1.00 0.62 H new ATOM 0 HG LEU A 114 2.438 23.544 -7.929 1.00 0.61 H new ATOM 0 HD11 LEU A 114 0.446 24.600 -8.961 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.116 25.625 -7.670 1.00 0.91 H new ATOM 0 HD13 LEU A 114 1.419 26.031 -9.376 1.00 0.91 H new ATOM 0 HD21 LEU A 114 1.965 23.168 -10.335 1.00 0.81 H new ATOM 0 HD22 LEU A 114 2.940 24.598 -10.750 1.00 0.81 H new ATOM 0 HD23 LEU A 114 3.716 23.172 -10.021 1.00 0.81 H new ATOM 395 N ASP A 115 6.054 26.241 -6.317 1.00 0.61 N ATOM 396 CA ASP A 115 7.405 26.849 -6.154 1.00 0.71 C ATOM 397 C ASP A 115 8.248 26.009 -5.191 1.00 0.65 C ATOM 398 O ASP A 115 9.459 26.104 -5.165 1.00 0.89 O ATOM 399 CB ASP A 115 7.147 28.238 -5.570 1.00 0.80 C ATOM 400 CG ASP A 115 6.947 29.240 -6.707 1.00 1.17 C ATOM 401 OD1 ASP A 115 7.901 29.490 -7.425 1.00 1.76 O ATOM 402 OD2 ASP A 115 5.842 29.741 -6.842 1.00 1.76 O ATOM 0 H ASP A 115 5.287 26.773 -5.906 1.00 0.61 H new ATOM 0 HA ASP A 115 7.953 26.899 -7.095 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.265 28.217 -4.930 1.00 0.80 H new ATOM 0 HB3 ASP A 115 7.987 28.543 -4.945 1.00 0.80 H new ATOM 407 N GLU A 116 7.616 25.188 -4.398 1.00 0.51 N ATOM 408 CA GLU A 116 8.379 24.342 -3.437 1.00 0.48 C ATOM 409 C GLU A 116 8.614 22.951 -4.031 1.00 0.49 C ATOM 410 O GLU A 116 9.577 22.283 -3.711 1.00 0.63 O ATOM 411 CB GLU A 116 7.489 24.251 -2.198 1.00 0.48 C ATOM 412 CG GLU A 116 6.999 25.649 -1.816 1.00 0.57 C ATOM 413 CD GLU A 116 5.874 25.530 -0.788 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.520 24.411 -0.455 1.00 1.19 O ATOM 415 OE2 GLU A 116 5.384 26.559 -0.353 1.00 1.36 O ATOM 0 H GLU A 116 6.604 25.066 -4.374 1.00 0.51 H new ATOM 0 HA GLU A 116 9.359 24.759 -3.206 1.00 0.48 H new ATOM 0 HB2 GLU A 116 6.639 23.598 -2.395 1.00 0.48 H new ATOM 0 HB3 GLU A 116 8.044 23.810 -1.370 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.821 26.235 -1.405 1.00 0.57 H new ATOM 0 HG3 GLU A 116 6.643 26.176 -2.701 1.00 0.57 H new ATOM 422 N LEU A 117 7.741 22.510 -4.895 1.00 0.48 N ATOM 423 CA LEU A 117 7.913 21.163 -5.510 1.00 0.52 C ATOM 424 C LEU A 117 9.237 21.097 -6.277 1.00 0.58 C ATOM 425 O LEU A 117 9.803 20.039 -6.467 1.00 0.69 O ATOM 426 CB LEU A 117 6.731 21.011 -6.467 1.00 0.55 C ATOM 427 CG LEU A 117 5.470 20.663 -5.675 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.239 21.174 -6.424 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.374 19.144 -5.514 1.00 0.53 C ATOM 0 H LEU A 117 6.915 23.025 -5.202 1.00 0.48 H new ATOM 0 HA LEU A 117 7.938 20.368 -4.764 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.579 21.936 -7.023 1.00 0.55 H new ATOM 0 HB3 LEU A 117 6.940 20.230 -7.198 1.00 0.55 H new ATOM 0 HG LEU A 117 5.517 21.132 -4.692 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.340 20.926 -5.859 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.307 22.256 -6.541 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.191 20.705 -7.407 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.476 18.894 -4.950 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.327 18.676 -6.497 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.251 18.779 -4.980 1.00 0.53 H new ATOM 441 N LYS A 118 9.735 22.219 -6.719 1.00 0.59 N ATOM 442 CA LYS A 118 11.022 22.216 -7.474 1.00 0.69 C ATOM 443 C LYS A 118 12.205 22.260 -6.504 1.00 0.64 C ATOM 444 O LYS A 118 13.312 21.895 -6.845 1.00 0.73 O ATOM 445 CB LYS A 118 10.985 23.483 -8.329 1.00 0.83 C ATOM 446 CG LYS A 118 11.118 24.712 -7.427 1.00 0.99 C ATOM 447 CD LYS A 118 10.827 25.976 -8.239 1.00 1.35 C ATOM 448 CE LYS A 118 12.047 26.900 -8.204 1.00 1.51 C ATOM 449 NZ LYS A 118 11.998 27.647 -9.492 1.00 1.99 N ATOM 0 H LYS A 118 9.308 23.137 -6.591 1.00 0.59 H new ATOM 0 HA LYS A 118 11.141 21.318 -8.081 1.00 0.69 H new ATOM 0 HB2 LYS A 118 11.794 23.465 -9.059 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.051 23.529 -8.889 1.00 0.83 H new ATOM 0 HG2 LYS A 118 10.425 24.638 -6.589 1.00 0.99 H new ATOM 0 HG3 LYS A 118 12.122 24.760 -7.006 1.00 0.99 H new ATOM 0 HD2 LYS A 118 10.588 25.712 -9.269 1.00 1.35 H new ATOM 0 HD3 LYS A 118 9.957 26.490 -7.831 1.00 1.35 H new ATOM 0 HE2 LYS A 118 12.005 27.578 -7.352 1.00 1.51 H new ATOM 0 HE3 LYS A 118 12.972 26.330 -8.112 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 12.804 28.303 -9.544 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 12.047 26.976 -10.285 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 11.110 28.185 -9.548 1.00 1.99 H new ATOM 463 N ILE A 119 11.980 22.705 -5.298 1.00 0.68 N ATOM 464 CA ILE A 119 13.095 22.772 -4.310 1.00 0.74 C ATOM 465 C ILE A 119 13.158 21.478 -3.494 1.00 0.75 C ATOM 466 O ILE A 119 14.186 21.127 -2.949 1.00 0.85 O ATOM 467 CB ILE A 119 12.758 23.960 -3.410 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.752 25.244 -4.244 1.00 1.22 C ATOM 469 CG2 ILE A 119 13.809 24.077 -2.305 1.00 1.08 C ATOM 470 CD1 ILE A 119 12.417 26.436 -3.346 1.00 1.06 C ATOM 0 H ILE A 119 11.074 23.025 -4.954 1.00 0.68 H new ATOM 0 HA ILE A 119 14.066 22.890 -4.791 1.00 0.74 H new ATOM 0 HB ILE A 119 11.775 23.810 -2.963 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.725 25.390 -4.712 1.00 1.22 H new ATOM 0 HG13 ILE A 119 12.020 25.164 -5.048 1.00 1.22 H new ATOM 0 HG21 ILE A 119 13.569 24.924 -1.663 1.00 1.08 H new ATOM 0 HG22 ILE A 119 13.816 23.163 -1.712 1.00 1.08 H new ATOM 0 HG23 ILE A 119 14.792 24.227 -2.752 1.00 1.08 H new ATOM 0 HD11 ILE A 119 12.413 27.350 -3.940 1.00 1.06 H new ATOM 0 HD12 ILE A 119 11.434 26.290 -2.899 1.00 1.06 H new ATOM 0 HD13 ILE A 119 13.165 26.519 -2.558 1.00 1.06 H new ATOM 482 N MET A 120 12.070 20.763 -3.409 1.00 0.85 N ATOM 483 CA MET A 120 12.074 19.491 -2.632 1.00 1.01 C ATOM 484 C MET A 120 12.782 18.394 -3.431 1.00 0.95 C ATOM 485 O MET A 120 13.377 17.492 -2.876 1.00 1.11 O ATOM 486 CB MET A 120 10.598 19.143 -2.432 1.00 1.17 C ATOM 487 CG MET A 120 9.975 18.764 -3.776 1.00 1.52 C ATOM 488 SD MET A 120 8.310 18.108 -3.506 1.00 1.88 S ATOM 489 CE MET A 120 8.774 16.367 -3.336 1.00 1.43 C ATOM 0 H MET A 120 11.179 21.004 -3.843 1.00 0.85 H new ATOM 0 HA MET A 120 12.600 19.586 -1.682 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.501 18.316 -1.728 1.00 1.17 H new ATOM 0 HB3 MET A 120 10.069 19.993 -2.001 1.00 1.17 H new ATOM 0 HG2 MET A 120 9.932 19.636 -4.428 1.00 1.52 H new ATOM 0 HG3 MET A 120 10.593 18.020 -4.279 1.00 1.52 H new ATOM 0 HE1 MET A 120 8.102 15.878 -2.631 1.00 1.43 H new ATOM 0 HE2 MET A 120 8.702 15.875 -4.306 1.00 1.43 H new ATOM 0 HE3 MET A 120 9.798 16.298 -2.969 1.00 1.43 H new ATOM 499 N LEU A 121 12.723 18.468 -4.733 1.00 0.87 N ATOM 500 CA LEU A 121 13.393 17.435 -5.572 1.00 0.95 C ATOM 501 C LEU A 121 14.851 17.828 -5.827 1.00 0.87 C ATOM 502 O LEU A 121 15.659 17.021 -6.243 1.00 0.97 O ATOM 503 CB LEU A 121 12.606 17.422 -6.884 1.00 1.09 C ATOM 504 CG LEU A 121 11.962 16.049 -7.083 1.00 1.41 C ATOM 505 CD1 LEU A 121 10.671 15.968 -6.266 1.00 2.03 C ATOM 506 CD2 LEU A 121 11.640 15.850 -8.566 1.00 1.80 C ATOM 0 H LEU A 121 12.239 19.201 -5.252 1.00 0.87 H new ATOM 0 HA LEU A 121 13.405 16.456 -5.093 1.00 0.95 H new ATOM 0 HB2 LEU A 121 11.838 18.196 -6.867 1.00 1.09 H new ATOM 0 HB3 LEU A 121 13.269 17.649 -7.719 1.00 1.09 H new ATOM 0 HG LEU A 121 12.651 15.272 -6.752 1.00 1.41 H new ATOM 0 HD11 LEU A 121 10.212 14.990 -6.408 1.00 2.03 H new ATOM 0 HD12 LEU A 121 10.899 16.112 -5.210 1.00 2.03 H new ATOM 0 HD13 LEU A 121 9.981 16.744 -6.598 1.00 2.03 H new ATOM 0 HD21 LEU A 121 11.181 14.872 -8.711 1.00 1.80 H new ATOM 0 HD22 LEU A 121 10.950 16.627 -8.896 1.00 1.80 H new ATOM 0 HD23 LEU A 121 12.559 15.909 -9.149 1.00 1.80 H new ATOM 518 N GLN A 122 15.194 19.063 -5.582 1.00 0.82 N ATOM 519 CA GLN A 122 16.599 19.508 -5.812 1.00 0.95 C ATOM 520 C GLN A 122 17.573 18.600 -5.055 1.00 1.04 C ATOM 521 O GLN A 122 18.734 18.496 -5.399 1.00 1.19 O ATOM 522 CB GLN A 122 16.658 20.933 -5.261 1.00 1.14 C ATOM 523 CG GLN A 122 16.888 21.916 -6.411 1.00 1.42 C ATOM 524 CD GLN A 122 16.972 23.339 -5.856 1.00 1.85 C ATOM 525 OE1 GLN A 122 17.601 23.572 -4.843 1.00 2.44 O ATOM 526 NE2 GLN A 122 16.360 24.308 -6.482 1.00 2.28 N ATOM 0 H GLN A 122 14.562 19.784 -5.232 1.00 0.82 H new ATOM 0 HA GLN A 122 16.878 19.465 -6.865 1.00 0.95 H new ATOM 0 HB2 GLN A 122 15.729 21.173 -4.744 1.00 1.14 H new ATOM 0 HB3 GLN A 122 17.461 21.018 -4.529 1.00 1.14 H new ATOM 0 HG2 GLN A 122 17.808 21.665 -6.939 1.00 1.42 H new ATOM 0 HG3 GLN A 122 16.075 21.843 -7.134 1.00 1.42 H new ATOM 0 HE21 GLN A 122 15.832 24.112 -7.332 1.00 2.28 H new ATOM 0 HE22 GLN A 122 16.410 25.260 -6.120 1.00 2.28 H new ATOM 535 N ALA A 123 17.111 17.946 -4.026 1.00 1.09 N ATOM 536 CA ALA A 123 18.011 17.048 -3.246 1.00 1.33 C ATOM 537 C ALA A 123 18.614 15.977 -4.160 1.00 1.38 C ATOM 538 O ALA A 123 19.601 15.349 -3.828 1.00 1.62 O ATOM 539 CB ALA A 123 17.111 16.407 -2.190 1.00 1.45 C ATOM 0 H ALA A 123 16.149 17.994 -3.690 1.00 1.09 H new ATOM 0 HA ALA A 123 18.845 17.588 -2.798 1.00 1.33 H new ATOM 0 HB1 ALA A 123 17.700 15.729 -1.572 1.00 1.45 H new ATOM 0 HB2 ALA A 123 16.676 17.185 -1.562 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.314 15.849 -2.681 1.00 1.45 H new ATOM 545 N THR A 124 18.030 15.762 -5.307 1.00 1.29 N ATOM 546 CA THR A 124 18.571 14.731 -6.239 1.00 1.47 C ATOM 547 C THR A 124 19.220 15.403 -7.451 1.00 1.44 C ATOM 548 O THR A 124 19.602 14.753 -8.403 1.00 1.72 O ATOM 549 CB THR A 124 17.356 13.910 -6.671 1.00 1.56 C ATOM 550 OG1 THR A 124 16.394 14.770 -7.267 1.00 2.16 O ATOM 551 CG2 THR A 124 16.741 13.221 -5.452 1.00 1.92 C ATOM 0 H THR A 124 17.202 16.255 -5.640 1.00 1.29 H new ATOM 0 HA THR A 124 19.336 14.112 -5.770 1.00 1.47 H new ATOM 0 HB THR A 124 17.666 13.154 -7.393 1.00 1.56 H new ATOM 0 HG1 THR A 124 15.990 15.337 -6.577 1.00 2.16 H new ATOM 0 HG21 THR A 124 15.875 12.636 -5.763 1.00 1.92 H new ATOM 0 HG22 THR A 124 17.479 12.561 -4.996 1.00 1.92 H new ATOM 0 HG23 THR A 124 16.430 13.973 -4.727 1.00 1.92 H new ATOM 559 N GLY A 125 19.346 16.701 -7.425 1.00 1.26 N ATOM 560 CA GLY A 125 19.968 17.410 -8.578 1.00 1.32 C ATOM 561 C GLY A 125 18.938 17.554 -9.698 1.00 1.26 C ATOM 562 O GLY A 125 19.268 17.529 -10.866 1.00 1.63 O ATOM 0 H GLY A 125 19.046 17.301 -6.656 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.323 18.392 -8.267 1.00 1.32 H new ATOM 0 HA3 GLY A 125 20.836 16.856 -8.935 1.00 1.32 H new ATOM 566 N GLU A 126 17.690 17.704 -9.348 1.00 1.02 N ATOM 567 CA GLU A 126 16.635 17.848 -10.392 1.00 1.08 C ATOM 568 C GLU A 126 16.918 19.075 -11.264 1.00 0.89 C ATOM 569 O GLU A 126 16.506 20.176 -10.957 1.00 0.87 O ATOM 570 CB GLU A 126 15.330 18.029 -9.613 1.00 1.34 C ATOM 571 CG GLU A 126 15.391 19.326 -8.804 1.00 1.45 C ATOM 572 CD GLU A 126 14.436 20.355 -9.413 1.00 1.61 C ATOM 573 OE1 GLU A 126 13.413 19.947 -9.937 1.00 2.09 O ATOM 574 OE2 GLU A 126 14.745 21.534 -9.345 1.00 2.16 O ATOM 0 H GLU A 126 17.355 17.733 -8.385 1.00 1.02 H new ATOM 0 HA GLU A 126 16.594 16.988 -11.061 1.00 1.08 H new ATOM 0 HB2 GLU A 126 14.485 18.057 -10.301 1.00 1.34 H new ATOM 0 HB3 GLU A 126 15.171 17.180 -8.947 1.00 1.34 H new ATOM 0 HG2 GLU A 126 15.120 19.132 -7.766 1.00 1.45 H new ATOM 0 HG3 GLU A 126 16.409 19.717 -8.800 1.00 1.45 H new ATOM 581 N THR A 127 17.614 18.891 -12.353 1.00 1.09 N ATOM 582 CA THR A 127 17.917 20.045 -13.247 1.00 1.21 C ATOM 583 C THR A 127 17.153 19.892 -14.562 1.00 1.29 C ATOM 584 O THR A 127 17.601 19.234 -15.480 1.00 1.60 O ATOM 585 CB THR A 127 19.427 19.976 -13.487 1.00 1.57 C ATOM 586 OG1 THR A 127 19.775 20.850 -14.552 1.00 1.91 O ATOM 587 CG2 THR A 127 19.825 18.544 -13.848 1.00 2.18 C ATOM 0 H THR A 127 17.985 17.993 -12.662 1.00 1.09 H new ATOM 0 HA THR A 127 17.622 21.000 -12.813 1.00 1.21 H new ATOM 0 HB THR A 127 19.953 20.278 -12.581 1.00 1.57 H new ATOM 0 HG1 THR A 127 20.742 20.809 -14.706 1.00 1.91 H new ATOM 0 HG21 THR A 127 20.901 18.497 -14.018 1.00 2.18 H new ATOM 0 HG22 THR A 127 19.558 17.875 -13.030 1.00 2.18 H new ATOM 0 HG23 THR A 127 19.301 18.238 -14.753 1.00 2.18 H new ATOM 595 N ILE A 128 15.999 20.489 -14.656 1.00 1.08 N ATOM 596 CA ILE A 128 15.198 20.373 -15.906 1.00 1.20 C ATOM 597 C ILE A 128 14.627 21.738 -16.293 1.00 1.18 C ATOM 598 O ILE A 128 14.722 22.695 -15.549 1.00 1.15 O ATOM 599 CB ILE A 128 14.073 19.398 -15.561 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.264 19.953 -14.386 1.00 1.32 C ATOM 601 CG2 ILE A 128 14.665 18.040 -15.176 1.00 1.62 C ATOM 602 CD1 ILE A 128 11.888 20.400 -14.880 1.00 2.03 C ATOM 0 H ILE A 128 15.575 21.053 -13.920 1.00 1.08 H new ATOM 0 HA ILE A 128 15.793 20.027 -16.751 1.00 1.20 H new ATOM 0 HB ILE A 128 13.424 19.274 -16.428 1.00 1.12 H new ATOM 0 HG12 ILE A 128 13.155 19.191 -13.614 1.00 1.32 H new ATOM 0 HG13 ILE A 128 13.790 20.793 -13.933 1.00 1.32 H new ATOM 0 HG21 ILE A 128 13.859 17.348 -14.931 1.00 1.62 H new ATOM 0 HG22 ILE A 128 15.241 17.644 -16.012 1.00 1.62 H new ATOM 0 HG23 ILE A 128 15.317 18.159 -14.310 1.00 1.62 H new ATOM 0 HD11 ILE A 128 11.312 20.795 -14.043 1.00 2.03 H new ATOM 0 HD12 ILE A 128 12.007 21.175 -15.637 1.00 2.03 H new ATOM 0 HD13 ILE A 128 11.362 19.549 -15.312 1.00 2.03 H new ATOM 614 N THR A 129 14.035 21.840 -17.452 1.00 1.34 N ATOM 615 CA THR A 129 13.461 23.147 -17.881 1.00 1.42 C ATOM 616 C THR A 129 12.459 23.648 -16.836 1.00 1.16 C ATOM 617 O THR A 129 12.092 22.936 -15.923 1.00 0.97 O ATOM 618 CB THR A 129 12.754 22.862 -19.209 1.00 1.64 C ATOM 619 OG1 THR A 129 12.685 21.458 -19.420 1.00 2.23 O ATOM 620 CG2 THR A 129 13.531 23.513 -20.353 1.00 2.28 C ATOM 0 H THR A 129 13.924 21.076 -18.119 1.00 1.34 H new ATOM 0 HA THR A 129 14.225 23.917 -17.988 1.00 1.42 H new ATOM 0 HB THR A 129 11.745 23.273 -19.177 1.00 1.64 H new ATOM 0 HG1 THR A 129 13.473 21.164 -19.922 1.00 2.23 H new ATOM 0 HG21 THR A 129 13.027 23.309 -21.298 1.00 2.28 H new ATOM 0 HG22 THR A 129 13.580 24.590 -20.193 1.00 2.28 H new ATOM 0 HG23 THR A 129 14.541 23.105 -20.386 1.00 2.28 H new ATOM 628 N GLU A 130 12.019 24.870 -16.961 1.00 1.31 N ATOM 629 CA GLU A 130 11.047 25.420 -15.971 1.00 1.28 C ATOM 630 C GLU A 130 9.614 25.033 -16.353 1.00 1.16 C ATOM 631 O GLU A 130 8.764 24.850 -15.505 1.00 1.21 O ATOM 632 CB GLU A 130 11.230 26.936 -16.043 1.00 1.69 C ATOM 633 CG GLU A 130 10.224 27.619 -15.115 1.00 2.05 C ATOM 634 CD GLU A 130 10.733 29.015 -14.749 1.00 2.43 C ATOM 635 OE1 GLU A 130 11.617 29.101 -13.913 1.00 2.70 O ATOM 636 OE2 GLU A 130 10.229 29.973 -15.311 1.00 3.03 O ATOM 0 H GLU A 130 12.290 25.512 -17.706 1.00 1.31 H new ATOM 0 HA GLU A 130 11.219 25.032 -14.967 1.00 1.28 H new ATOM 0 HB2 GLU A 130 12.246 27.204 -15.754 1.00 1.69 H new ATOM 0 HB3 GLU A 130 11.088 27.281 -17.067 1.00 1.69 H new ATOM 0 HG2 GLU A 130 9.253 27.691 -15.604 1.00 2.05 H new ATOM 0 HG3 GLU A 130 10.083 27.024 -14.213 1.00 2.05 H new ATOM 643 N ASP A 131 9.340 24.910 -17.623 1.00 1.18 N ATOM 644 CA ASP A 131 7.961 24.539 -18.057 1.00 1.19 C ATOM 645 C ASP A 131 7.651 23.088 -17.672 1.00 1.07 C ATOM 646 O ASP A 131 6.522 22.646 -17.744 1.00 1.14 O ATOM 647 CB ASP A 131 7.970 24.699 -19.577 1.00 1.44 C ATOM 648 CG ASP A 131 9.173 23.955 -20.161 1.00 1.48 C ATOM 649 OD1 ASP A 131 9.265 22.758 -19.948 1.00 1.91 O ATOM 650 OD2 ASP A 131 9.983 24.597 -20.810 1.00 2.07 O ATOM 0 H ASP A 131 10.010 25.050 -18.379 1.00 1.18 H new ATOM 0 HA ASP A 131 7.200 25.160 -17.584 1.00 1.19 H new ATOM 0 HB2 ASP A 131 7.045 24.306 -20.000 1.00 1.44 H new ATOM 0 HB3 ASP A 131 8.018 25.755 -19.842 1.00 1.44 H new ATOM 655 N ASP A 132 8.644 22.344 -17.267 1.00 1.00 N ATOM 656 CA ASP A 132 8.402 20.922 -16.882 1.00 1.03 C ATOM 657 C ASP A 132 8.130 20.815 -15.379 1.00 0.88 C ATOM 658 O ASP A 132 7.666 19.802 -14.893 1.00 1.03 O ATOM 659 CB ASP A 132 9.696 20.191 -17.243 1.00 1.13 C ATOM 660 CG ASP A 132 9.660 19.779 -18.715 1.00 1.39 C ATOM 661 OD1 ASP A 132 8.645 20.014 -19.351 1.00 1.79 O ATOM 662 OD2 ASP A 132 10.647 19.235 -19.182 1.00 1.99 O ATOM 0 H ASP A 132 9.611 22.658 -17.186 1.00 1.00 H new ATOM 0 HA ASP A 132 7.535 20.500 -17.391 1.00 1.03 H new ATOM 0 HB2 ASP A 132 10.554 20.837 -17.057 1.00 1.13 H new ATOM 0 HB3 ASP A 132 9.816 19.311 -16.612 1.00 1.13 H new ATOM 667 N ILE A 133 8.418 21.849 -14.639 1.00 0.75 N ATOM 668 CA ILE A 133 8.181 21.806 -13.167 1.00 0.77 C ATOM 669 C ILE A 133 6.681 21.728 -12.866 1.00 0.70 C ATOM 670 O ILE A 133 6.269 21.180 -11.863 1.00 0.82 O ATOM 671 CB ILE A 133 8.766 23.114 -12.641 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.287 23.097 -12.815 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.420 23.270 -11.159 1.00 1.06 C ATOM 674 CD1 ILE A 133 10.911 22.128 -11.808 1.00 1.00 C ATOM 0 H ILE A 133 8.808 22.724 -14.990 1.00 0.75 H new ATOM 0 HA ILE A 133 8.638 20.933 -12.701 1.00 0.77 H new ATOM 0 HB ILE A 133 8.346 23.951 -13.199 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.543 22.796 -13.831 1.00 0.96 H new ATOM 0 HG13 ILE A 133 10.691 24.099 -12.668 1.00 0.96 H new ATOM 0 HG21 ILE A 133 8.838 24.204 -10.784 1.00 1.06 H new ATOM 0 HG22 ILE A 133 7.337 23.283 -11.038 1.00 1.06 H new ATOM 0 HG23 ILE A 133 8.838 22.434 -10.598 1.00 1.06 H new ATOM 0 HD11 ILE A 133 11.994 22.119 -11.935 1.00 1.00 H new ATOM 0 HD12 ILE A 133 10.667 22.449 -10.795 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.517 21.126 -11.976 1.00 1.00 H new ATOM 686 N GLU A 134 5.863 22.274 -13.723 1.00 0.61 N ATOM 687 CA GLU A 134 4.391 22.233 -13.481 1.00 0.64 C ATOM 688 C GLU A 134 3.793 20.942 -14.046 1.00 0.64 C ATOM 689 O GLU A 134 2.640 20.631 -13.822 1.00 0.76 O ATOM 690 CB GLU A 134 3.835 23.452 -14.218 1.00 0.73 C ATOM 691 CG GLU A 134 3.959 24.687 -13.324 1.00 0.89 C ATOM 692 CD GLU A 134 2.728 25.576 -13.506 1.00 1.21 C ATOM 693 OE1 GLU A 134 1.735 25.083 -14.015 1.00 1.86 O ATOM 694 OE2 GLU A 134 2.800 26.736 -13.135 1.00 1.87 O ATOM 0 H GLU A 134 6.149 22.747 -14.580 1.00 0.61 H new ATOM 0 HA GLU A 134 4.148 22.253 -12.419 1.00 0.64 H new ATOM 0 HB2 GLU A 134 4.380 23.607 -15.149 1.00 0.73 H new ATOM 0 HB3 GLU A 134 2.791 23.285 -14.484 1.00 0.73 H new ATOM 0 HG2 GLU A 134 4.052 24.386 -12.281 1.00 0.89 H new ATOM 0 HG3 GLU A 134 4.862 25.242 -13.577 1.00 0.89 H new ATOM 701 N GLU A 135 4.566 20.186 -14.777 1.00 0.59 N ATOM 702 CA GLU A 135 4.037 18.917 -15.352 1.00 0.67 C ATOM 703 C GLU A 135 3.869 17.866 -14.251 1.00 0.74 C ATOM 704 O GLU A 135 2.987 17.033 -14.305 1.00 0.91 O ATOM 705 CB GLU A 135 5.094 18.470 -16.363 1.00 0.72 C ATOM 706 CG GLU A 135 4.674 18.909 -17.767 1.00 1.16 C ATOM 707 CD GLU A 135 4.427 17.674 -18.635 1.00 1.56 C ATOM 708 OE1 GLU A 135 5.043 16.655 -18.369 1.00 2.03 O ATOM 709 OE2 GLU A 135 3.627 17.768 -19.551 1.00 2.29 O ATOM 0 H GLU A 135 5.540 20.392 -15.001 1.00 0.59 H new ATOM 0 HA GLU A 135 3.059 19.050 -15.815 1.00 0.67 H new ATOM 0 HB2 GLU A 135 6.062 18.903 -16.109 1.00 0.72 H new ATOM 0 HB3 GLU A 135 5.211 17.387 -16.329 1.00 0.72 H new ATOM 0 HG2 GLU A 135 3.770 19.516 -17.715 1.00 1.16 H new ATOM 0 HG3 GLU A 135 5.451 19.531 -18.213 1.00 1.16 H new ATOM 716 N LEU A 136 4.709 17.900 -13.252 1.00 0.73 N ATOM 717 CA LEU A 136 4.598 16.904 -12.148 1.00 0.87 C ATOM 718 C LEU A 136 3.369 17.201 -11.283 1.00 0.81 C ATOM 719 O LEU A 136 2.689 16.305 -10.824 1.00 1.00 O ATOM 720 CB LEU A 136 5.878 17.078 -11.329 1.00 0.99 C ATOM 721 CG LEU A 136 7.017 16.294 -11.982 1.00 1.09 C ATOM 722 CD1 LEU A 136 8.353 16.951 -11.633 1.00 1.74 C ATOM 723 CD2 LEU A 136 7.009 14.854 -11.462 1.00 1.75 C ATOM 0 H LEU A 136 5.468 18.575 -13.153 1.00 0.73 H new ATOM 0 HA LEU A 136 4.484 15.887 -12.523 1.00 0.87 H new ATOM 0 HB2 LEU A 136 6.140 18.134 -11.265 1.00 0.99 H new ATOM 0 HB3 LEU A 136 5.720 16.727 -10.309 1.00 0.99 H new ATOM 0 HG LEU A 136 6.883 16.292 -13.064 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.165 16.393 -12.098 1.00 1.74 H new ATOM 0 HD12 LEU A 136 8.361 17.977 -12.001 1.00 1.74 H new ATOM 0 HD13 LEU A 136 8.486 16.952 -10.551 1.00 1.74 H new ATOM 0 HD21 LEU A 136 7.821 14.295 -11.927 1.00 1.75 H new ATOM 0 HD22 LEU A 136 7.144 14.857 -10.380 1.00 1.75 H new ATOM 0 HD23 LEU A 136 6.057 14.384 -11.708 1.00 1.75 H new ATOM 735 N MET A 137 3.085 18.453 -11.051 1.00 0.67 N ATOM 736 CA MET A 137 1.907 18.810 -10.207 1.00 0.71 C ATOM 737 C MET A 137 0.640 18.111 -10.714 1.00 0.68 C ATOM 738 O MET A 137 -0.288 17.879 -9.967 1.00 0.70 O ATOM 739 CB MET A 137 1.773 20.328 -10.343 1.00 0.82 C ATOM 740 CG MET A 137 1.728 20.962 -8.952 1.00 0.99 C ATOM 741 SD MET A 137 0.263 22.016 -8.815 1.00 0.94 S ATOM 742 CE MET A 137 0.302 22.225 -7.017 1.00 0.53 C ATOM 0 H MET A 137 3.618 19.246 -11.409 1.00 0.67 H new ATOM 0 HA MET A 137 2.038 18.498 -9.171 1.00 0.71 H new ATOM 0 HB2 MET A 137 2.613 20.729 -10.910 1.00 0.82 H new ATOM 0 HB3 MET A 137 0.868 20.576 -10.897 1.00 0.82 H new ATOM 0 HG2 MET A 137 1.703 20.185 -8.188 1.00 0.99 H new ATOM 0 HG3 MET A 137 2.629 21.550 -8.780 1.00 0.99 H new ATOM 0 HE1 MET A 137 -0.403 23.003 -6.726 1.00 0.53 H new ATOM 0 HE2 MET A 137 0.026 21.287 -6.536 1.00 0.53 H new ATOM 0 HE3 MET A 137 1.307 22.511 -6.706 1.00 0.53 H new ATOM 752 N LYS A 138 0.588 17.777 -11.975 1.00 0.76 N ATOM 753 CA LYS A 138 -0.629 17.099 -12.511 1.00 0.82 C ATOM 754 C LYS A 138 -1.012 15.910 -11.624 1.00 0.72 C ATOM 755 O LYS A 138 -2.173 15.586 -11.474 1.00 0.84 O ATOM 756 CB LYS A 138 -0.241 16.621 -13.911 1.00 0.99 C ATOM 757 CG LYS A 138 0.701 15.421 -13.801 1.00 1.57 C ATOM 758 CD LYS A 138 1.071 14.931 -15.203 1.00 2.09 C ATOM 759 CE LYS A 138 0.774 13.434 -15.316 1.00 2.74 C ATOM 760 NZ LYS A 138 1.485 12.815 -14.163 1.00 3.43 N ATOM 0 H LYS A 138 1.330 17.943 -12.655 1.00 0.76 H new ATOM 0 HA LYS A 138 -1.491 17.766 -12.535 1.00 0.82 H new ATOM 0 HB2 LYS A 138 -1.134 16.345 -14.472 1.00 0.99 H new ATOM 0 HB3 LYS A 138 0.244 17.428 -14.460 1.00 0.99 H new ATOM 0 HG2 LYS A 138 1.601 15.701 -13.253 1.00 1.57 H new ATOM 0 HG3 LYS A 138 0.222 14.619 -13.239 1.00 1.57 H new ATOM 0 HD2 LYS A 138 0.505 15.482 -15.954 1.00 2.09 H new ATOM 0 HD3 LYS A 138 2.127 15.119 -15.398 1.00 2.09 H new ATOM 0 HE2 LYS A 138 -0.297 13.239 -15.270 1.00 2.74 H new ATOM 0 HE3 LYS A 138 1.131 13.031 -16.263 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 1.742 11.835 -14.399 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 2.347 13.359 -13.954 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 0.863 12.818 -13.329 1.00 3.43 H new ATOM 774 N ASP A 139 -0.047 15.257 -11.035 1.00 0.75 N ATOM 775 CA ASP A 139 -0.363 14.090 -10.160 1.00 0.78 C ATOM 776 C ASP A 139 -0.444 14.531 -8.695 1.00 0.70 C ATOM 777 O ASP A 139 -0.888 13.792 -7.839 1.00 0.81 O ATOM 778 CB ASP A 139 0.798 13.116 -10.366 1.00 0.97 C ATOM 779 CG ASP A 139 0.328 11.932 -11.213 1.00 1.16 C ATOM 780 OD1 ASP A 139 -0.822 11.939 -11.622 1.00 1.66 O ATOM 781 OD2 ASP A 139 1.126 11.037 -11.438 1.00 1.69 O ATOM 0 H ASP A 139 0.945 15.480 -11.121 1.00 0.75 H new ATOM 0 HA ASP A 139 -1.323 13.637 -10.406 1.00 0.78 H new ATOM 0 HB2 ASP A 139 1.628 13.622 -10.859 1.00 0.97 H new ATOM 0 HB3 ASP A 139 1.166 12.764 -9.402 1.00 0.97 H new ATOM 786 N GLY A 140 -0.019 15.729 -8.401 1.00 0.64 N ATOM 787 CA GLY A 140 -0.075 16.215 -6.993 1.00 0.62 C ATOM 788 C GLY A 140 -1.210 17.228 -6.849 1.00 0.57 C ATOM 789 O GLY A 140 -1.666 17.515 -5.760 1.00 0.65 O ATOM 0 H GLY A 140 0.364 16.392 -9.074 1.00 0.64 H new ATOM 0 HA2 GLY A 140 -0.233 15.377 -6.314 1.00 0.62 H new ATOM 0 HA3 GLY A 140 0.874 16.675 -6.718 1.00 0.62 H new ATOM 793 N ASP A 141 -1.669 17.773 -7.942 1.00 0.56 N ATOM 794 CA ASP A 141 -2.774 18.770 -7.872 1.00 0.56 C ATOM 795 C ASP A 141 -3.709 18.608 -9.073 1.00 0.58 C ATOM 796 O ASP A 141 -3.996 19.554 -9.779 1.00 0.64 O ATOM 797 CB ASP A 141 -2.082 20.132 -7.915 1.00 0.60 C ATOM 798 CG ASP A 141 -2.654 21.030 -6.817 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.704 21.609 -7.041 1.00 1.14 O ATOM 800 OD2 ASP A 141 -2.032 21.123 -5.772 1.00 1.23 O ATOM 0 H ASP A 141 -1.326 17.571 -8.881 1.00 0.56 H new ATOM 0 HA ASP A 141 -3.382 18.649 -6.976 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -1.008 20.010 -7.777 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -2.228 20.595 -8.891 1.00 0.60 H new ATOM 805 N LYS A 142 -4.190 17.417 -9.311 1.00 0.62 N ATOM 806 CA LYS A 142 -5.107 17.206 -10.467 1.00 0.70 C ATOM 807 C LYS A 142 -6.257 18.212 -10.407 1.00 0.79 C ATOM 808 O LYS A 142 -6.881 18.520 -11.403 1.00 0.92 O ATOM 809 CB LYS A 142 -5.629 15.778 -10.307 1.00 0.79 C ATOM 810 CG LYS A 142 -5.210 14.943 -11.520 1.00 0.88 C ATOM 811 CD LYS A 142 -6.455 14.376 -12.204 1.00 1.37 C ATOM 812 CE LYS A 142 -6.083 13.100 -12.963 1.00 1.79 C ATOM 813 NZ LYS A 142 -7.119 12.969 -14.026 1.00 2.44 N ATOM 0 H LYS A 142 -3.988 16.585 -8.757 1.00 0.62 H new ATOM 0 HA LYS A 142 -4.608 17.346 -11.426 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -5.234 15.335 -9.393 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -6.715 15.785 -10.214 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -4.645 15.558 -12.221 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -4.553 14.132 -11.207 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -7.224 14.160 -11.462 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -6.873 15.112 -12.891 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -5.084 13.173 -13.392 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -6.083 12.233 -12.302 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -6.932 12.116 -14.590 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -8.059 12.895 -13.587 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -7.090 13.805 -14.644 1.00 2.44 H new ATOM 827 N ASN A 143 -6.537 18.731 -9.243 1.00 0.80 N ATOM 828 CA ASN A 143 -7.641 19.724 -9.113 1.00 0.95 C ATOM 829 C ASN A 143 -7.141 21.115 -9.518 1.00 0.92 C ATOM 830 O ASN A 143 -7.902 22.057 -9.611 1.00 1.08 O ATOM 831 CB ASN A 143 -8.023 19.700 -7.632 1.00 1.07 C ATOM 832 CG ASN A 143 -8.314 18.262 -7.201 1.00 1.36 C ATOM 833 OD1 ASN A 143 -9.273 17.663 -7.648 1.00 1.95 O ATOM 834 ND2 ASN A 143 -7.522 17.677 -6.345 1.00 1.70 N ATOM 0 H ASN A 143 -6.048 18.510 -8.375 1.00 0.80 H new ATOM 0 HA ASN A 143 -8.491 19.489 -9.754 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -7.214 20.114 -7.030 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -8.899 20.326 -7.462 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -7.708 16.718 -6.051 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -6.717 18.179 -5.969 1.00 1.70 H new ATOM 841 N ASN A 144 -5.865 21.246 -9.762 1.00 0.86 N ATOM 842 CA ASN A 144 -5.309 22.570 -10.163 1.00 0.93 C ATOM 843 C ASN A 144 -5.850 23.676 -9.252 1.00 1.03 C ATOM 844 O ASN A 144 -6.222 24.739 -9.706 1.00 1.71 O ATOM 845 CB ASN A 144 -5.784 22.779 -11.601 1.00 1.08 C ATOM 846 CG ASN A 144 -5.401 21.563 -12.449 1.00 1.49 C ATOM 847 OD1 ASN A 144 -5.931 20.486 -12.262 1.00 2.18 O ATOM 848 ND2 ASN A 144 -4.496 21.692 -13.380 1.00 1.97 N ATOM 0 H ASN A 144 -5.182 20.491 -9.701 1.00 0.86 H new ATOM 0 HA ASN A 144 -4.222 22.601 -10.082 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -6.864 22.923 -11.621 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -5.334 23.681 -12.016 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -4.233 20.889 -13.951 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -4.051 22.596 -13.537 1.00 1.97 H new ATOM 855 N ASP A 145 -5.891 23.437 -7.969 1.00 0.88 N ATOM 856 CA ASP A 145 -6.402 24.482 -7.035 1.00 0.92 C ATOM 857 C ASP A 145 -5.239 25.325 -6.507 1.00 0.91 C ATOM 858 O ASP A 145 -5.433 26.302 -5.811 1.00 1.07 O ATOM 859 CB ASP A 145 -7.071 23.711 -5.896 1.00 0.93 C ATOM 860 CG ASP A 145 -6.067 22.746 -5.266 1.00 1.40 C ATOM 861 OD1 ASP A 145 -4.883 22.911 -5.511 1.00 2.06 O ATOM 862 OD2 ASP A 145 -6.499 21.860 -4.548 1.00 1.89 O ATOM 0 H ASP A 145 -5.594 22.567 -7.528 1.00 0.88 H new ATOM 0 HA ASP A 145 -7.098 25.166 -7.520 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -7.443 24.406 -5.143 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.932 23.159 -6.274 1.00 0.93 H new ATOM 867 N GLY A 146 -4.030 24.954 -6.834 1.00 0.84 N ATOM 868 CA GLY A 146 -2.854 25.732 -6.354 1.00 0.92 C ATOM 869 C GLY A 146 -2.482 25.277 -4.943 1.00 0.66 C ATOM 870 O GLY A 146 -1.893 26.014 -4.177 1.00 0.74 O ATOM 0 H GLY A 146 -3.807 24.145 -7.413 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -2.010 25.588 -7.028 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -3.085 26.797 -6.355 1.00 0.92 H new ATOM 874 N ARG A 147 -2.820 24.067 -4.591 1.00 0.56 N ATOM 875 CA ARG A 147 -2.483 23.567 -3.226 1.00 0.54 C ATOM 876 C ARG A 147 -2.393 22.039 -3.228 1.00 0.46 C ATOM 877 O ARG A 147 -3.232 21.359 -3.786 1.00 0.45 O ATOM 878 CB ARG A 147 -3.637 24.036 -2.338 1.00 0.77 C ATOM 879 CG ARG A 147 -3.093 24.942 -1.232 1.00 1.39 C ATOM 880 CD ARG A 147 -4.049 26.119 -1.016 1.00 1.79 C ATOM 881 NE ARG A 147 -3.322 27.039 -0.098 1.00 2.55 N ATOM 882 CZ ARG A 147 -3.866 28.170 0.266 1.00 2.87 C ATOM 883 NH1 ARG A 147 -5.049 28.502 -0.176 1.00 3.10 N ATOM 884 NH2 ARG A 147 -3.226 28.970 1.074 1.00 3.37 N ATOM 0 H ARG A 147 -3.314 23.403 -5.187 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.520 23.940 -2.875 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -4.374 24.574 -2.935 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -4.147 23.177 -1.902 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -2.981 24.377 -0.307 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -2.103 25.309 -1.503 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -4.290 26.610 -1.959 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -4.991 25.788 -0.579 1.00 1.79 H new ATOM 0 HE ARG A 147 -2.396 26.786 0.248 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -5.551 27.878 -0.807 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -5.471 29.386 0.110 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -2.302 28.712 1.421 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -3.650 29.853 1.359 1.00 3.37 H new ATOM 898 N ILE A 148 -1.383 21.493 -2.606 1.00 0.49 N ATOM 899 CA ILE A 148 -1.242 20.009 -2.571 1.00 0.44 C ATOM 900 C ILE A 148 -1.418 19.498 -1.138 1.00 0.46 C ATOM 901 O ILE A 148 -0.870 20.046 -0.202 1.00 0.63 O ATOM 902 CB ILE A 148 0.176 19.732 -3.069 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.328 20.263 -4.497 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.435 18.224 -3.058 1.00 0.47 C ATOM 905 CD1 ILE A 148 1.784 20.120 -4.942 1.00 0.63 C ATOM 0 H ILE A 148 -0.650 22.010 -2.121 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.992 19.508 -3.183 1.00 0.44 H new ATOM 0 HB ILE A 148 0.893 20.230 -2.417 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.326 19.712 -5.173 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.024 21.309 -4.542 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.446 18.026 -3.413 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.326 17.844 -2.042 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.283 17.727 -3.711 1.00 0.47 H new ATOM 0 HD11 ILE A 148 1.893 20.498 -5.959 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.427 20.691 -4.272 1.00 0.63 H new ATOM 0 HD13 ILE A 148 2.072 19.069 -4.913 1.00 0.63 H new ATOM 917 N ASP A 149 -2.180 18.455 -0.959 1.00 0.48 N ATOM 918 CA ASP A 149 -2.392 17.916 0.415 1.00 0.53 C ATOM 919 C ASP A 149 -1.717 16.550 0.563 1.00 0.53 C ATOM 920 O ASP A 149 -1.114 16.040 -0.360 1.00 0.63 O ATOM 921 CB ASP A 149 -3.909 17.781 0.555 1.00 0.58 C ATOM 922 CG ASP A 149 -4.581 19.067 0.070 1.00 1.05 C ATOM 923 OD1 ASP A 149 -3.872 20.032 -0.161 1.00 1.84 O ATOM 924 OD2 ASP A 149 -5.794 19.064 -0.061 1.00 1.65 O ATOM 0 H ASP A 149 -2.665 17.953 -1.703 1.00 0.48 H new ATOM 0 HA ASP A 149 -1.965 18.563 1.181 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.265 16.930 -0.026 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.174 17.589 1.595 1.00 0.58 H new ATOM 929 N TYR A 150 -1.815 15.954 1.720 1.00 0.58 N ATOM 930 CA TYR A 150 -1.180 14.622 1.932 1.00 0.60 C ATOM 931 C TYR A 150 -1.873 13.562 1.068 1.00 0.59 C ATOM 932 O TYR A 150 -1.258 12.616 0.619 1.00 0.63 O ATOM 933 CB TYR A 150 -1.380 14.324 3.421 1.00 0.73 C ATOM 934 CG TYR A 150 -1.191 12.847 3.676 1.00 0.72 C ATOM 935 CD1 TYR A 150 0.098 12.302 3.710 1.00 1.22 C ATOM 936 CD2 TYR A 150 -2.305 12.024 3.875 1.00 1.15 C ATOM 937 CE1 TYR A 150 0.272 10.933 3.944 1.00 1.56 C ATOM 938 CE2 TYR A 150 -2.131 10.655 4.108 1.00 1.43 C ATOM 939 CZ TYR A 150 -0.843 10.109 4.143 1.00 1.48 C ATOM 940 OH TYR A 150 -0.671 8.759 4.372 1.00 1.96 O ATOM 0 H TYR A 150 -2.308 16.332 2.529 1.00 0.58 H new ATOM 0 HA TYR A 150 -0.126 14.614 1.654 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -0.670 14.899 4.015 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -2.378 14.631 3.732 1.00 0.73 H new ATOM 0 HD1 TYR A 150 0.958 12.937 3.556 1.00 1.22 H new ATOM 0 HD2 TYR A 150 -3.299 12.445 3.849 1.00 1.15 H new ATOM 0 HE1 TYR A 150 1.266 10.512 3.971 1.00 1.56 H new ATOM 0 HE2 TYR A 150 -2.991 10.020 4.261 1.00 1.43 H new ATOM 0 HH TYR A 150 -1.456 8.404 4.839 1.00 1.96 H new ATOM 950 N ASP A 151 -3.148 13.712 0.835 1.00 0.64 N ATOM 951 CA ASP A 151 -3.877 12.712 0.003 1.00 0.70 C ATOM 952 C ASP A 151 -3.343 12.730 -1.432 1.00 0.63 C ATOM 953 O ASP A 151 -2.805 11.754 -1.918 1.00 0.77 O ATOM 954 CB ASP A 151 -5.339 13.158 0.036 1.00 0.79 C ATOM 955 CG ASP A 151 -6.241 11.938 0.231 1.00 1.24 C ATOM 956 OD1 ASP A 151 -5.712 10.841 0.306 1.00 1.83 O ATOM 957 OD2 ASP A 151 -7.445 12.121 0.301 1.00 1.90 O ATOM 0 H ASP A 151 -3.717 14.483 1.184 1.00 0.64 H new ATOM 0 HA ASP A 151 -3.753 11.695 0.376 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -5.494 13.871 0.845 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -5.596 13.668 -0.892 1.00 0.79 H new ATOM 962 N GLU A 152 -3.489 13.832 -2.113 1.00 0.54 N ATOM 963 CA GLU A 152 -2.992 13.915 -3.516 1.00 0.56 C ATOM 964 C GLU A 152 -1.512 13.527 -3.577 1.00 0.52 C ATOM 965 O GLU A 152 -1.059 12.921 -4.528 1.00 0.65 O ATOM 966 CB GLU A 152 -3.178 15.379 -3.915 1.00 0.60 C ATOM 967 CG GLU A 152 -4.630 15.612 -4.336 1.00 0.77 C ATOM 968 CD GLU A 152 -4.834 17.093 -4.660 1.00 0.72 C ATOM 969 OE1 GLU A 152 -4.912 17.878 -3.729 1.00 1.17 O ATOM 970 OE2 GLU A 152 -4.911 17.417 -5.834 1.00 1.40 O ATOM 0 H GLU A 152 -3.931 14.680 -1.759 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.525 13.239 -4.184 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -2.921 16.030 -3.079 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.505 15.632 -4.735 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -4.870 15.002 -5.207 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.305 15.307 -3.537 1.00 0.77 H new ATOM 977 N PHE A 153 -0.756 13.873 -2.572 1.00 0.46 N ATOM 978 CA PHE A 153 0.693 13.525 -2.577 1.00 0.46 C ATOM 979 C PHE A 153 0.877 12.028 -2.842 1.00 0.50 C ATOM 980 O PHE A 153 1.720 11.625 -3.617 1.00 0.64 O ATOM 981 CB PHE A 153 1.194 13.888 -1.179 1.00 0.49 C ATOM 982 CG PHE A 153 2.689 13.687 -1.115 1.00 0.48 C ATOM 983 CD1 PHE A 153 3.542 14.560 -1.800 1.00 0.62 C ATOM 984 CD2 PHE A 153 3.222 12.627 -0.372 1.00 0.52 C ATOM 985 CE1 PHE A 153 4.928 14.374 -1.743 1.00 0.73 C ATOM 986 CE2 PHE A 153 4.609 12.441 -0.314 1.00 0.61 C ATOM 987 CZ PHE A 153 5.461 13.314 -1.000 1.00 0.68 C ATOM 0 H PHE A 153 -1.078 14.381 -1.748 1.00 0.46 H new ATOM 0 HA PHE A 153 1.241 14.055 -3.356 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.945 14.924 -0.949 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.700 13.268 -0.431 1.00 0.49 H new ATOM 0 HD1 PHE A 153 3.130 15.378 -2.373 1.00 0.62 H new ATOM 0 HD2 PHE A 153 2.564 11.953 0.156 1.00 0.52 H new ATOM 0 HE1 PHE A 153 5.586 15.048 -2.272 1.00 0.73 H new ATOM 0 HE2 PHE A 153 5.021 11.624 0.260 1.00 0.61 H new ATOM 0 HZ PHE A 153 6.530 13.170 -0.956 1.00 0.68 H new ATOM 997 N LEU A 154 0.093 11.202 -2.204 1.00 0.53 N ATOM 998 CA LEU A 154 0.225 9.733 -2.422 1.00 0.62 C ATOM 999 C LEU A 154 0.147 9.412 -3.916 1.00 0.65 C ATOM 1000 O LEU A 154 0.959 8.679 -4.446 1.00 0.83 O ATOM 1001 CB LEU A 154 -0.956 9.114 -1.676 1.00 0.75 C ATOM 1002 CG LEU A 154 -0.481 8.596 -0.318 1.00 0.91 C ATOM 1003 CD1 LEU A 154 0.525 7.463 -0.529 1.00 1.65 C ATOM 1004 CD2 LEU A 154 0.191 9.734 0.453 1.00 1.20 C ATOM 0 H LEU A 154 -0.632 11.480 -1.542 1.00 0.53 H new ATOM 0 HA LEU A 154 1.179 9.346 -2.064 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -1.744 9.855 -1.540 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -1.383 8.299 -2.260 1.00 0.75 H new ATOM 0 HG LEU A 154 -1.335 8.225 0.249 1.00 0.91 H new ATOM 0 HD11 LEU A 154 0.864 7.093 0.438 1.00 1.65 H new ATOM 0 HD12 LEU A 154 0.050 6.652 -1.081 1.00 1.65 H new ATOM 0 HD13 LEU A 154 1.379 7.835 -1.095 1.00 1.65 H new ATOM 0 HD21 LEU A 154 0.530 9.367 1.422 1.00 1.20 H new ATOM 0 HD22 LEU A 154 1.045 10.103 -0.115 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -0.523 10.544 0.602 1.00 1.20 H new ATOM 1016 N GLU A 155 -0.820 9.955 -4.602 1.00 0.69 N ATOM 1017 CA GLU A 155 -0.940 9.680 -6.061 1.00 0.81 C ATOM 1018 C GLU A 155 0.271 10.256 -6.801 1.00 0.76 C ATOM 1019 O GLU A 155 0.481 9.994 -7.969 1.00 0.90 O ATOM 1020 CB GLU A 155 -2.225 10.386 -6.496 1.00 0.97 C ATOM 1021 CG GLU A 155 -3.132 9.390 -7.223 1.00 1.41 C ATOM 1022 CD GLU A 155 -4.285 10.142 -7.892 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -4.127 11.325 -8.144 1.00 2.57 O ATOM 1024 OE2 GLU A 155 -5.305 9.521 -8.141 1.00 2.77 O ATOM 0 H GLU A 155 -1.531 10.576 -4.216 1.00 0.69 H new ATOM 0 HA GLU A 155 -0.972 8.613 -6.282 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -2.740 10.796 -5.627 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -1.988 11.224 -7.151 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -2.560 8.840 -7.971 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -3.523 8.656 -6.518 1.00 1.41 H new ATOM 1031 N PHE A 156 1.073 11.036 -6.127 1.00 0.66 N ATOM 1032 CA PHE A 156 2.273 11.627 -6.786 1.00 0.77 C ATOM 1033 C PHE A 156 3.319 10.540 -7.048 1.00 0.71 C ATOM 1034 O PHE A 156 3.710 10.299 -8.173 1.00 0.88 O ATOM 1035 CB PHE A 156 2.806 12.655 -5.787 1.00 0.84 C ATOM 1036 CG PHE A 156 3.840 13.526 -6.461 1.00 1.01 C ATOM 1037 CD1 PHE A 156 3.554 14.127 -7.693 1.00 1.49 C ATOM 1038 CD2 PHE A 156 5.084 13.733 -5.853 1.00 1.09 C ATOM 1039 CE1 PHE A 156 4.513 14.935 -8.316 1.00 1.72 C ATOM 1040 CE2 PHE A 156 6.042 14.542 -6.476 1.00 1.31 C ATOM 1041 CZ PHE A 156 5.757 15.142 -7.708 1.00 1.53 C ATOM 0 H PHE A 156 0.948 11.290 -5.147 1.00 0.66 H new ATOM 0 HA PHE A 156 2.036 12.079 -7.749 1.00 0.77 H new ATOM 0 HB2 PHE A 156 1.988 13.269 -5.410 1.00 0.84 H new ATOM 0 HB3 PHE A 156 3.246 12.148 -4.928 1.00 0.84 H new ATOM 0 HD1 PHE A 156 2.594 13.967 -8.162 1.00 1.49 H new ATOM 0 HD2 PHE A 156 5.305 13.269 -4.903 1.00 1.09 H new ATOM 0 HE1 PHE A 156 4.293 15.399 -9.266 1.00 1.72 H new ATOM 0 HE2 PHE A 156 7.001 14.703 -6.006 1.00 1.31 H new ATOM 0 HZ PHE A 156 6.497 15.765 -8.190 1.00 1.53 H new ATOM 1051 N MET A 157 3.774 9.879 -6.017 1.00 0.61 N ATOM 1052 CA MET A 157 4.792 8.806 -6.211 1.00 0.69 C ATOM 1053 C MET A 157 4.104 7.443 -6.318 1.00 0.83 C ATOM 1054 O MET A 157 4.562 6.559 -7.014 1.00 1.17 O ATOM 1055 CB MET A 157 5.676 8.865 -4.964 1.00 0.84 C ATOM 1056 CG MET A 157 4.885 8.371 -3.751 1.00 0.92 C ATOM 1057 SD MET A 157 5.989 8.254 -2.321 1.00 1.56 S ATOM 1058 CE MET A 157 6.857 9.820 -2.580 1.00 0.90 C ATOM 0 H MET A 157 3.486 10.035 -5.051 1.00 0.61 H new ATOM 0 HA MET A 157 5.370 8.944 -7.125 1.00 0.69 H new ATOM 0 HB2 MET A 157 6.565 8.250 -5.106 1.00 0.84 H new ATOM 0 HB3 MET A 157 6.018 9.886 -4.796 1.00 0.84 H new ATOM 0 HG2 MET A 157 4.064 9.055 -3.535 1.00 0.92 H new ATOM 0 HG3 MET A 157 4.442 7.398 -3.963 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.343 10.124 -1.653 1.00 0.90 H new ATOM 0 HE2 MET A 157 7.608 9.695 -3.360 1.00 0.90 H new ATOM 0 HE3 MET A 157 6.143 10.586 -2.883 1.00 0.90 H new ATOM 1068 N LYS A 158 3.005 7.269 -5.636 1.00 0.86 N ATOM 1069 CA LYS A 158 2.284 5.965 -5.699 1.00 1.07 C ATOM 1070 C LYS A 158 3.232 4.815 -5.342 1.00 1.36 C ATOM 1071 O LYS A 158 3.297 4.383 -4.209 1.00 1.73 O ATOM 1072 CB LYS A 158 1.811 5.846 -7.149 1.00 1.28 C ATOM 1073 CG LYS A 158 1.139 4.488 -7.358 1.00 1.66 C ATOM 1074 CD LYS A 158 0.133 4.589 -8.507 1.00 2.24 C ATOM 1075 CE LYS A 158 -0.030 3.218 -9.169 1.00 2.85 C ATOM 1076 NZ LYS A 158 -0.788 3.486 -10.423 1.00 3.52 N ATOM 0 H LYS A 158 2.575 7.974 -5.037 1.00 0.86 H new ATOM 0 HA LYS A 158 1.454 5.917 -4.995 1.00 1.07 H new ATOM 0 HB2 LYS A 158 1.112 6.649 -7.381 1.00 1.28 H new ATOM 0 HB3 LYS A 158 2.657 5.953 -7.828 1.00 1.28 H new ATOM 0 HG2 LYS A 158 1.889 3.730 -7.583 1.00 1.66 H new ATOM 0 HG3 LYS A 158 0.634 4.176 -6.444 1.00 1.66 H new ATOM 0 HD2 LYS A 158 -0.829 4.940 -8.132 1.00 2.24 H new ATOM 0 HD3 LYS A 158 0.475 5.320 -9.240 1.00 2.24 H new ATOM 0 HE2 LYS A 158 0.938 2.764 -9.382 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -0.570 2.528 -8.521 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -0.940 2.593 -10.934 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -1.708 3.912 -10.189 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -0.246 4.141 -11.023 1.00 3.52 H new