USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 557 hydrogens (12 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 SER OG : rot 31:sc= 0.375 USER MOD Set 1.2: A 150 TYR OH : rot 180:sc= -0.901 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 150:sc= 0.609 (180deg=0.0318) USER MOD Single : A 93 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.275 X(o=-0.27,f=-0.014) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 153:sc= 0.0234 (180deg=-0.824) USER MOD Single : A 120 MET CE :methyl -178:sc= -9.16! (180deg=-9.44!) USER MOD Single : A 122 GLN : amide:sc= -0.889 K(o=-0.89,f=-2.3) USER MOD Single : A 124 THR OG1 : rot -45:sc= 0.291 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.0424 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl -115:sc= -2.17 (180deg=-9.47!) USER MOD Single : A 138 LYS NZ :NH3+ 152:sc= 1.76 (180deg=1.13) USER MOD Single : A 142 LYS NZ :NH3+ -162:sc= 1.83 (180deg=1.19) USER MOD Single : A 143 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.16) USER MOD Single : A 144 ASN : amide:sc= 0.0769 X(o=0.077,f=0) USER MOD Single : A 157 MET CE :methyl -106:sc= -0.251 (180deg=-1.07) USER MOD Single : A 158 LYS NZ :NH3+ -171:sc= 0.306 (180deg=0.29) USER MOD Single : A 162 STL O1 : rot 180:sc= -1.11 USER MOD Single : A 162 STL O2 : rot 111:sc= 0.12 USER MOD Single : A 162 STL O3 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 90 12.850 7.723 4.171 1.00 2.87 N ATOM 2 CA MET A 90 12.723 7.785 2.680 1.00 2.20 C ATOM 3 C MET A 90 11.295 7.411 2.244 1.00 1.76 C ATOM 4 O MET A 90 10.397 7.316 3.057 1.00 2.23 O ATOM 5 CB MET A 90 13.748 6.771 2.146 1.00 2.68 C ATOM 6 CG MET A 90 13.265 5.338 2.403 1.00 3.11 C ATOM 7 SD MET A 90 14.649 4.189 2.201 1.00 4.08 S ATOM 8 CE MET A 90 14.055 2.915 3.341 1.00 4.71 C ATOM 0 HA MET A 90 12.910 8.787 2.293 1.00 2.20 H new ATOM 0 HB2 MET A 90 13.899 6.925 1.077 1.00 2.68 H new ATOM 0 HB3 MET A 90 14.712 6.929 2.630 1.00 2.68 H new ATOM 0 HG2 MET A 90 12.855 5.256 3.409 1.00 3.11 H new ATOM 0 HG3 MET A 90 12.463 5.083 1.710 1.00 3.11 H new ATOM 0 HE1 MET A 90 14.770 2.093 3.373 1.00 4.71 H new ATOM 0 HE2 MET A 90 13.947 3.341 4.339 1.00 4.71 H new ATOM 0 HE3 MET A 90 13.089 2.543 2.999 1.00 4.71 H new ATOM 20 N GLY A 91 11.079 7.195 0.967 1.00 1.61 N ATOM 21 CA GLY A 91 9.713 6.824 0.485 1.00 1.31 C ATOM 22 C GLY A 91 9.457 5.339 0.761 1.00 1.37 C ATOM 23 O GLY A 91 9.665 4.499 -0.091 1.00 1.61 O ATOM 0 H GLY A 91 11.791 7.260 0.239 1.00 1.61 H new ATOM 0 HA2 GLY A 91 8.961 7.433 0.987 1.00 1.31 H new ATOM 0 HA3 GLY A 91 9.625 7.026 -0.582 1.00 1.31 H new ATOM 27 N LYS A 92 9.004 5.016 1.946 1.00 1.27 N ATOM 28 CA LYS A 92 8.727 3.589 2.289 1.00 1.47 C ATOM 29 C LYS A 92 7.213 3.333 2.228 1.00 1.40 C ATOM 30 O LYS A 92 6.715 2.743 1.289 1.00 1.56 O ATOM 31 CB LYS A 92 9.268 3.425 3.715 1.00 1.61 C ATOM 32 CG LYS A 92 8.904 2.041 4.262 1.00 1.94 C ATOM 33 CD LYS A 92 9.714 1.766 5.533 1.00 2.31 C ATOM 34 CE LYS A 92 9.148 2.585 6.700 1.00 2.59 C ATOM 35 NZ LYS A 92 8.327 1.625 7.494 1.00 3.20 N1+ ATOM 0 H LYS A 92 8.813 5.683 2.694 1.00 1.27 H new ATOM 0 HA LYS A 92 9.191 2.881 1.603 1.00 1.47 H new ATOM 0 HB2 LYS A 92 10.351 3.552 3.718 1.00 1.61 H new ATOM 0 HB3 LYS A 92 8.854 4.200 4.360 1.00 1.61 H new ATOM 0 HG2 LYS A 92 7.837 1.993 4.480 1.00 1.94 H new ATOM 0 HG3 LYS A 92 9.111 1.276 3.513 1.00 1.94 H new ATOM 0 HD2 LYS A 92 9.681 0.703 5.773 1.00 2.31 H new ATOM 0 HD3 LYS A 92 10.761 2.023 5.371 1.00 2.31 H new ATOM 0 HE2 LYS A 92 9.948 3.012 7.305 1.00 2.59 H new ATOM 0 HE3 LYS A 92 8.542 3.416 6.340 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 8.332 1.908 8.495 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 7.350 1.628 7.139 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 8.726 0.669 7.403 1.00 3.20 H new ATOM 49 N SER A 93 6.482 3.789 3.213 1.00 1.38 N ATOM 50 CA SER A 93 4.999 3.595 3.214 1.00 1.40 C ATOM 51 C SER A 93 4.324 4.834 3.805 1.00 1.20 C ATOM 52 O SER A 93 4.950 5.863 3.977 1.00 1.08 O ATOM 53 CB SER A 93 4.750 2.371 4.097 1.00 1.60 C ATOM 54 OG SER A 93 3.823 1.508 3.453 1.00 2.20 O ATOM 0 H SER A 93 6.850 4.290 4.021 1.00 1.38 H new ATOM 0 HA SER A 93 4.596 3.450 2.212 1.00 1.40 H new ATOM 0 HB2 SER A 93 5.687 1.845 4.281 1.00 1.60 H new ATOM 0 HB3 SER A 93 4.362 2.681 5.067 1.00 1.60 H new ATOM 0 HG SER A 93 3.663 0.722 4.016 1.00 2.20 H new ATOM 60 N GLU A 94 3.057 4.750 4.124 1.00 1.26 N ATOM 61 CA GLU A 94 2.351 5.936 4.708 1.00 1.17 C ATOM 62 C GLU A 94 3.017 6.395 6.020 1.00 1.12 C ATOM 63 O GLU A 94 2.773 7.494 6.483 1.00 1.09 O ATOM 64 CB GLU A 94 0.907 5.482 4.937 1.00 1.33 C ATOM 65 CG GLU A 94 0.030 6.028 3.802 1.00 1.28 C ATOM 66 CD GLU A 94 0.353 5.293 2.499 1.00 1.44 C ATOM 67 OE1 GLU A 94 1.262 5.726 1.807 1.00 2.09 O ATOM 68 OE2 GLU A 94 -0.312 4.312 2.211 1.00 1.94 O ATOM 0 H GLU A 94 2.481 3.916 4.007 1.00 1.26 H new ATOM 0 HA GLU A 94 2.395 6.797 4.042 1.00 1.17 H new ATOM 0 HB2 GLU A 94 0.854 4.394 4.965 1.00 1.33 H new ATOM 0 HB3 GLU A 94 0.546 5.843 5.900 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -1.024 5.901 4.051 1.00 1.28 H new ATOM 0 HG3 GLU A 94 0.202 7.097 3.679 1.00 1.28 H new ATOM 75 N GLU A 95 3.881 5.589 6.604 1.00 1.19 N ATOM 76 CA GLU A 95 4.580 6.021 7.860 1.00 1.23 C ATOM 77 C GLU A 95 5.612 7.095 7.499 1.00 1.03 C ATOM 78 O GLU A 95 5.608 8.185 8.039 1.00 1.01 O ATOM 79 CB GLU A 95 5.293 4.776 8.414 1.00 1.45 C ATOM 80 CG GLU A 95 4.332 3.582 8.478 1.00 1.90 C ATOM 81 CD GLU A 95 5.077 2.311 8.058 1.00 2.12 C ATOM 82 OE1 GLU A 95 5.572 2.277 6.943 1.00 2.49 O ATOM 83 OE2 GLU A 95 5.146 1.395 8.858 1.00 2.66 O ATOM 0 H GLU A 95 4.129 4.659 6.267 1.00 1.19 H new ATOM 0 HA GLU A 95 3.887 6.430 8.595 1.00 1.23 H new ATOM 0 HB2 GLU A 95 6.146 4.529 7.782 1.00 1.45 H new ATOM 0 HB3 GLU A 95 5.684 4.988 9.409 1.00 1.45 H new ATOM 0 HG2 GLU A 95 3.939 3.470 9.489 1.00 1.90 H new ATOM 0 HG3 GLU A 95 3.479 3.751 7.821 1.00 1.90 H new ATOM 90 N GLU A 96 6.480 6.789 6.565 1.00 1.02 N ATOM 91 CA GLU A 96 7.510 7.780 6.126 1.00 0.94 C ATOM 92 C GLU A 96 6.878 8.786 5.152 1.00 0.79 C ATOM 93 O GLU A 96 7.309 9.918 5.051 1.00 0.82 O ATOM 94 CB GLU A 96 8.587 6.950 5.418 1.00 1.15 C ATOM 95 CG GLU A 96 9.942 7.162 6.102 1.00 1.62 C ATOM 96 CD GLU A 96 10.685 5.828 6.194 1.00 1.99 C ATOM 97 OE1 GLU A 96 11.315 5.453 5.218 1.00 2.18 O ATOM 98 OE2 GLU A 96 10.613 5.204 7.238 1.00 2.78 O ATOM 0 H GLU A 96 6.519 5.889 6.086 1.00 1.02 H new ATOM 0 HA GLU A 96 7.923 8.350 6.958 1.00 0.94 H new ATOM 0 HB2 GLU A 96 8.319 5.894 5.442 1.00 1.15 H new ATOM 0 HB3 GLU A 96 8.650 7.239 4.369 1.00 1.15 H new ATOM 0 HG2 GLU A 96 10.536 7.882 5.539 1.00 1.62 H new ATOM 0 HG3 GLU A 96 9.796 7.578 7.099 1.00 1.62 H new ATOM 105 N LEU A 97 5.850 8.375 4.441 1.00 0.77 N ATOM 106 CA LEU A 97 5.163 9.293 3.476 1.00 0.71 C ATOM 107 C LEU A 97 4.725 10.575 4.193 1.00 0.67 C ATOM 108 O LEU A 97 4.945 11.671 3.711 1.00 0.75 O ATOM 109 CB LEU A 97 3.932 8.508 2.993 1.00 0.80 C ATOM 110 CG LEU A 97 4.208 7.781 1.664 1.00 0.77 C ATOM 111 CD1 LEU A 97 3.707 8.639 0.506 1.00 1.40 C ATOM 112 CD2 LEU A 97 5.708 7.508 1.484 1.00 1.22 C ATOM 0 H LEU A 97 5.456 7.435 4.490 1.00 0.77 H new ATOM 0 HA LEU A 97 5.812 9.589 2.652 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.642 7.782 3.752 1.00 0.80 H new ATOM 0 HB3 LEU A 97 3.091 9.190 2.867 1.00 0.80 H new ATOM 0 HG LEU A 97 3.684 6.825 1.679 1.00 0.77 H new ATOM 0 HD11 LEU A 97 3.901 8.127 -0.437 1.00 1.40 H new ATOM 0 HD12 LEU A 97 2.635 8.806 0.614 1.00 1.40 H new ATOM 0 HD13 LEU A 97 4.226 9.597 0.512 1.00 1.40 H new ATOM 0 HD21 LEU A 97 5.873 6.994 0.537 1.00 1.22 H new ATOM 0 HD22 LEU A 97 6.252 8.452 1.484 1.00 1.22 H new ATOM 0 HD23 LEU A 97 6.065 6.884 2.303 1.00 1.22 H new ATOM 124 N SER A 98 4.116 10.442 5.350 1.00 0.69 N ATOM 125 CA SER A 98 3.673 11.648 6.116 1.00 0.76 C ATOM 126 C SER A 98 4.888 12.512 6.474 1.00 0.72 C ATOM 127 O SER A 98 4.870 13.719 6.319 1.00 0.77 O ATOM 128 CB SER A 98 3.014 11.097 7.381 1.00 0.92 C ATOM 129 OG SER A 98 2.522 12.178 8.164 1.00 1.57 O ATOM 0 H SER A 98 3.908 9.548 5.795 1.00 0.69 H new ATOM 0 HA SER A 98 2.989 12.276 5.545 1.00 0.76 H new ATOM 0 HB2 SER A 98 2.198 10.424 7.116 1.00 0.92 H new ATOM 0 HB3 SER A 98 3.734 10.515 7.956 1.00 0.92 H new ATOM 0 HG SER A 98 2.255 12.914 7.575 1.00 1.57 H new ATOM 135 N ASP A 99 5.946 11.893 6.943 1.00 0.80 N ATOM 136 CA ASP A 99 7.179 12.660 7.304 1.00 0.86 C ATOM 137 C ASP A 99 7.757 13.332 6.052 1.00 0.81 C ATOM 138 O ASP A 99 8.161 14.479 6.083 1.00 0.91 O ATOM 139 CB ASP A 99 8.146 11.613 7.867 1.00 1.02 C ATOM 140 CG ASP A 99 7.911 11.467 9.372 1.00 1.23 C ATOM 141 OD1 ASP A 99 6.925 10.852 9.744 1.00 1.79 O ATOM 142 OD2 ASP A 99 8.718 11.981 10.127 1.00 1.83 O ATOM 0 H ASP A 99 6.008 10.886 7.091 1.00 0.80 H new ATOM 0 HA ASP A 99 6.987 13.453 8.026 1.00 0.86 H new ATOM 0 HB2 ASP A 99 7.994 10.655 7.369 1.00 1.02 H new ATOM 0 HB3 ASP A 99 9.176 11.912 7.675 1.00 1.02 H new ATOM 147 N LEU A 100 7.770 12.629 4.944 1.00 0.75 N ATOM 148 CA LEU A 100 8.287 13.222 3.669 1.00 0.76 C ATOM 149 C LEU A 100 7.414 14.426 3.271 1.00 0.68 C ATOM 150 O LEU A 100 7.899 15.403 2.736 1.00 0.79 O ATOM 151 CB LEU A 100 8.159 12.099 2.627 1.00 0.86 C ATOM 152 CG LEU A 100 9.324 12.154 1.629 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.705 10.729 1.213 1.00 1.41 C ATOM 154 CD2 LEU A 100 8.909 12.946 0.383 1.00 1.41 C ATOM 0 H LEU A 100 7.443 11.666 4.868 1.00 0.75 H new ATOM 0 HA LEU A 100 9.314 13.577 3.757 1.00 0.76 H new ATOM 0 HB2 LEU A 100 8.147 11.131 3.127 1.00 0.86 H new ATOM 0 HB3 LEU A 100 7.212 12.195 2.095 1.00 0.86 H new ATOM 0 HG LEU A 100 10.175 12.644 2.102 1.00 0.79 H new ATOM 0 HD11 LEU A 100 10.532 10.766 0.504 1.00 1.41 H new ATOM 0 HD12 LEU A 100 10.006 10.161 2.093 1.00 1.41 H new ATOM 0 HD13 LEU A 100 8.848 10.245 0.745 1.00 1.41 H new ATOM 0 HD21 LEU A 100 9.741 12.980 -0.320 1.00 1.41 H new ATOM 0 HD22 LEU A 100 8.055 12.460 -0.089 1.00 1.41 H new ATOM 0 HD23 LEU A 100 8.636 13.961 0.671 1.00 1.41 H new ATOM 166 N PHE A 101 6.127 14.352 3.535 1.00 0.60 N ATOM 167 CA PHE A 101 5.205 15.480 3.180 1.00 0.59 C ATOM 168 C PHE A 101 5.489 16.715 4.052 1.00 0.60 C ATOM 169 O PHE A 101 5.725 17.795 3.544 1.00 0.72 O ATOM 170 CB PHE A 101 3.788 14.941 3.449 1.00 0.61 C ATOM 171 CG PHE A 101 2.748 15.872 2.860 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.570 17.159 3.387 1.00 0.86 C ATOM 173 CD2 PHE A 101 1.957 15.444 1.787 1.00 0.68 C ATOM 174 CE1 PHE A 101 1.603 18.012 2.841 1.00 0.90 C ATOM 175 CE2 PHE A 101 0.992 16.298 1.241 1.00 0.73 C ATOM 176 CZ PHE A 101 0.815 17.583 1.768 1.00 0.69 C ATOM 0 H PHE A 101 5.676 13.555 3.983 1.00 0.60 H new ATOM 0 HA PHE A 101 5.333 15.797 2.145 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.682 13.946 3.016 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.628 14.840 4.522 1.00 0.61 H new ATOM 0 HD1 PHE A 101 3.179 17.493 4.214 1.00 0.86 H new ATOM 0 HD2 PHE A 101 2.092 14.453 1.380 1.00 0.68 H new ATOM 0 HE1 PHE A 101 1.465 19.002 3.249 1.00 0.90 H new ATOM 0 HE2 PHE A 101 0.384 15.966 0.413 1.00 0.73 H new ATOM 0 HZ PHE A 101 0.071 18.242 1.346 1.00 0.69 H new ATOM 186 N ARG A 102 5.450 16.567 5.358 1.00 0.67 N ATOM 187 CA ARG A 102 5.697 17.740 6.269 1.00 0.76 C ATOM 188 C ARG A 102 7.120 18.307 6.111 1.00 0.68 C ATOM 189 O ARG A 102 7.372 19.449 6.445 1.00 0.78 O ATOM 190 CB ARG A 102 5.481 17.206 7.695 1.00 0.99 C ATOM 191 CG ARG A 102 6.463 16.064 7.994 1.00 1.30 C ATOM 192 CD ARG A 102 6.743 16.001 9.497 1.00 1.45 C ATOM 193 NE ARG A 102 5.583 15.260 10.077 1.00 2.12 N ATOM 194 CZ ARG A 102 5.675 13.980 10.313 1.00 2.71 C ATOM 195 NH1 ARG A 102 6.445 13.546 11.271 1.00 3.37 N1+ ATOM 196 NH2 ARG A 102 4.988 13.137 9.597 1.00 3.07 N ATOM 0 H ARG A 102 5.258 15.686 5.834 1.00 0.67 H new ATOM 0 HA ARG A 102 5.024 18.564 6.031 1.00 0.76 H new ATOM 0 HB2 ARG A 102 5.619 18.011 8.416 1.00 0.99 H new ATOM 0 HB3 ARG A 102 4.456 16.851 7.806 1.00 0.99 H new ATOM 0 HG2 ARG A 102 6.047 15.116 7.652 1.00 1.30 H new ATOM 0 HG3 ARG A 102 7.393 16.220 7.448 1.00 1.30 H new ATOM 0 HD2 ARG A 102 7.682 15.487 9.702 1.00 1.45 H new ATOM 0 HD3 ARG A 102 6.827 17.000 9.925 1.00 1.45 H new ATOM 0 HE ARG A 102 4.717 15.756 10.289 1.00 2.12 H new ATOM 0 HH11 ARG A 102 6.977 14.207 11.837 1.00 3.37 H new ATOM 0 HH12 ARG A 102 6.516 12.545 11.454 1.00 3.37 H new ATOM 0 HH21 ARG A 102 4.379 13.478 8.853 1.00 3.07 H new ATOM 0 HH22 ARG A 102 5.059 12.136 9.780 1.00 3.07 H new ATOM 210 N MET A 103 8.048 17.528 5.612 1.00 0.71 N ATOM 211 CA MET A 103 9.449 18.035 5.444 1.00 0.75 C ATOM 212 C MET A 103 9.697 18.545 4.009 1.00 0.68 C ATOM 213 O MET A 103 10.752 19.079 3.717 1.00 0.83 O ATOM 214 CB MET A 103 10.348 16.830 5.750 1.00 0.93 C ATOM 215 CG MET A 103 11.749 17.318 6.132 1.00 1.27 C ATOM 216 SD MET A 103 12.685 15.949 6.856 1.00 1.82 S ATOM 217 CE MET A 103 14.126 16.910 7.382 1.00 2.43 C ATOM 0 H MET A 103 7.898 16.564 5.314 1.00 0.71 H new ATOM 0 HA MET A 103 9.649 18.880 6.103 1.00 0.75 H new ATOM 0 HB2 MET A 103 9.922 16.243 6.564 1.00 0.93 H new ATOM 0 HB3 MET A 103 10.404 16.175 4.880 1.00 0.93 H new ATOM 0 HG2 MET A 103 12.265 17.701 5.252 1.00 1.27 H new ATOM 0 HG3 MET A 103 11.678 18.141 6.843 1.00 1.27 H new ATOM 0 HE1 MET A 103 14.847 16.250 7.864 1.00 2.43 H new ATOM 0 HE2 MET A 103 14.588 17.379 6.513 1.00 2.43 H new ATOM 0 HE3 MET A 103 13.812 17.681 8.086 1.00 2.43 H new ATOM 227 N PHE A 104 8.754 18.373 3.109 1.00 0.68 N ATOM 228 CA PHE A 104 8.971 18.835 1.701 1.00 0.79 C ATOM 229 C PHE A 104 8.362 20.224 1.450 1.00 0.71 C ATOM 230 O PHE A 104 8.985 21.057 0.823 1.00 0.88 O ATOM 231 CB PHE A 104 8.302 17.773 0.825 1.00 0.94 C ATOM 232 CG PHE A 104 9.352 16.810 0.311 1.00 1.31 C ATOM 233 CD1 PHE A 104 10.461 16.482 1.106 1.00 1.26 C ATOM 234 CD2 PHE A 104 9.217 16.250 -0.962 1.00 2.03 C ATOM 235 CE1 PHE A 104 11.433 15.599 0.623 1.00 1.86 C ATOM 236 CE2 PHE A 104 10.190 15.365 -1.444 1.00 2.65 C ATOM 237 CZ PHE A 104 11.297 15.039 -0.651 1.00 2.56 C ATOM 0 H PHE A 104 7.850 17.936 3.289 1.00 0.68 H new ATOM 0 HA PHE A 104 10.033 18.942 1.479 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.549 17.234 1.399 1.00 0.94 H new ATOM 0 HB3 PHE A 104 7.787 18.247 -0.011 1.00 0.94 H new ATOM 0 HD1 PHE A 104 10.564 16.912 2.092 1.00 1.26 H new ATOM 0 HD2 PHE A 104 8.363 16.499 -1.574 1.00 2.03 H new ATOM 0 HE1 PHE A 104 12.288 15.350 1.234 1.00 1.86 H new ATOM 0 HE2 PHE A 104 10.086 14.934 -2.429 1.00 2.65 H new ATOM 0 HZ PHE A 104 12.046 14.355 -1.023 1.00 2.56 H new ATOM 247 N ASP A 105 7.165 20.491 1.922 1.00 0.61 N ATOM 248 CA ASP A 105 6.562 21.846 1.684 1.00 0.60 C ATOM 249 C ASP A 105 7.408 22.924 2.382 1.00 0.56 C ATOM 250 O ASP A 105 7.337 23.098 3.584 1.00 0.63 O ATOM 251 CB ASP A 105 5.148 21.790 2.285 1.00 0.68 C ATOM 252 CG ASP A 105 4.317 22.987 1.796 1.00 0.86 C ATOM 253 OD1 ASP A 105 4.763 24.110 1.959 1.00 1.45 O ATOM 254 OD2 ASP A 105 3.243 22.762 1.268 1.00 0.84 O ATOM 0 H ASP A 105 6.586 19.841 2.454 1.00 0.61 H new ATOM 0 HA ASP A 105 6.528 22.097 0.624 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.660 20.858 2.000 1.00 0.68 H new ATOM 0 HB3 ASP A 105 5.207 21.799 3.373 1.00 0.68 H new ATOM 259 N LYS A 106 8.208 23.644 1.634 1.00 0.59 N ATOM 260 CA LYS A 106 9.063 24.710 2.253 1.00 0.66 C ATOM 261 C LYS A 106 8.230 25.960 2.578 1.00 0.55 C ATOM 262 O LYS A 106 8.626 26.777 3.387 1.00 0.63 O ATOM 263 CB LYS A 106 10.134 25.033 1.204 1.00 0.87 C ATOM 264 CG LYS A 106 11.476 24.439 1.642 1.00 1.21 C ATOM 265 CD LYS A 106 11.450 22.920 1.444 1.00 1.61 C ATOM 266 CE LYS A 106 12.794 22.319 1.865 1.00 1.77 C ATOM 267 NZ LYS A 106 12.792 20.935 1.303 1.00 2.14 N1+ ATOM 0 H LYS A 106 8.307 23.542 0.624 1.00 0.59 H new ATOM 0 HA LYS A 106 9.502 24.377 3.193 1.00 0.66 H new ATOM 0 HB2 LYS A 106 9.843 24.626 0.235 1.00 0.87 H new ATOM 0 HB3 LYS A 106 10.225 26.112 1.082 1.00 0.87 H new ATOM 0 HG2 LYS A 106 12.287 24.878 1.062 1.00 1.21 H new ATOM 0 HG3 LYS A 106 11.667 24.677 2.688 1.00 1.21 H new ATOM 0 HD2 LYS A 106 10.645 22.481 2.033 1.00 1.61 H new ATOM 0 HD3 LYS A 106 11.247 22.684 0.400 1.00 1.61 H new ATOM 0 HE2 LYS A 106 13.627 22.903 1.474 1.00 1.77 H new ATOM 0 HE3 LYS A 106 12.897 22.304 2.950 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 13.683 20.459 1.550 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 11.992 20.401 1.699 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 12.700 20.981 0.268 1.00 2.14 H new ATOM 281 N ASN A 107 7.083 26.115 1.959 1.00 0.48 N ATOM 282 CA ASN A 107 6.229 27.313 2.240 1.00 0.50 C ATOM 283 C ASN A 107 5.523 27.175 3.607 1.00 0.58 C ATOM 284 O ASN A 107 5.154 28.158 4.220 1.00 0.70 O ATOM 285 CB ASN A 107 5.221 27.345 1.092 1.00 0.54 C ATOM 286 CG ASN A 107 4.310 28.566 1.220 1.00 0.70 C ATOM 287 OD1 ASN A 107 4.776 29.683 1.306 1.00 1.00 O ATOM 288 ND2 ASN A 107 3.018 28.399 1.226 1.00 0.78 N ATOM 0 H ASN A 107 6.702 25.464 1.272 1.00 0.48 H new ATOM 0 HA ASN A 107 6.809 28.234 2.297 1.00 0.50 H new ATOM 0 HB2 ASN A 107 5.747 27.374 0.138 1.00 0.54 H new ATOM 0 HB3 ASN A 107 4.623 26.434 1.099 1.00 0.54 H new ATOM 0 HD21 ASN A 107 2.400 29.207 1.303 1.00 0.78 H new ATOM 0 HD22 ASN A 107 2.625 27.461 1.154 1.00 0.78 H new ATOM 295 N ALA A 108 5.353 25.959 4.087 1.00 0.65 N ATOM 296 CA ALA A 108 4.697 25.720 5.419 1.00 0.84 C ATOM 297 C ALA A 108 3.249 26.244 5.464 1.00 0.78 C ATOM 298 O ALA A 108 2.914 27.100 6.262 1.00 0.96 O ATOM 299 CB ALA A 108 5.571 26.457 6.441 1.00 1.03 C ATOM 0 H ALA A 108 5.646 25.110 3.604 1.00 0.65 H new ATOM 0 HA ALA A 108 4.625 24.652 5.626 1.00 0.84 H new ATOM 0 HB1 ALA A 108 5.152 26.327 7.439 1.00 1.03 H new ATOM 0 HB2 ALA A 108 6.582 26.050 6.416 1.00 1.03 H new ATOM 0 HB3 ALA A 108 5.601 27.519 6.196 1.00 1.03 H new ATOM 305 N ASP A 109 2.385 25.720 4.630 1.00 0.73 N ATOM 306 CA ASP A 109 0.954 26.170 4.641 1.00 0.74 C ATOM 307 C ASP A 109 -0.013 24.963 4.609 1.00 0.78 C ATOM 308 O ASP A 109 -1.177 25.097 4.936 1.00 0.96 O ATOM 309 CB ASP A 109 0.791 27.033 3.384 1.00 0.72 C ATOM 310 CG ASP A 109 0.792 26.142 2.145 1.00 1.15 C ATOM 311 OD1 ASP A 109 1.845 25.634 1.812 1.00 1.66 O ATOM 312 OD2 ASP A 109 -0.259 25.981 1.553 1.00 1.95 O ATOM 0 H ASP A 109 2.606 25.001 3.942 1.00 0.73 H new ATOM 0 HA ASP A 109 0.716 26.724 5.549 1.00 0.74 H new ATOM 0 HB2 ASP A 109 -0.140 27.598 3.437 1.00 0.72 H new ATOM 0 HB3 ASP A 109 1.601 27.759 3.322 1.00 0.72 H new ATOM 317 N GLY A 110 0.452 23.793 4.218 1.00 0.76 N ATOM 318 CA GLY A 110 -0.450 22.598 4.173 1.00 0.85 C ATOM 319 C GLY A 110 -0.606 22.098 2.730 1.00 0.70 C ATOM 320 O GLY A 110 -0.807 20.922 2.497 1.00 0.73 O ATOM 0 H GLY A 110 1.415 23.619 3.930 1.00 0.76 H new ATOM 0 HA2 GLY A 110 -0.042 21.803 4.798 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -1.427 22.856 4.583 1.00 0.85 H new ATOM 324 N TYR A 111 -0.535 22.982 1.766 1.00 0.68 N ATOM 325 CA TYR A 111 -0.699 22.566 0.338 1.00 0.60 C ATOM 326 C TYR A 111 0.552 22.931 -0.466 1.00 0.58 C ATOM 327 O TYR A 111 0.979 24.068 -0.477 1.00 0.83 O ATOM 328 CB TYR A 111 -1.909 23.360 -0.161 1.00 0.68 C ATOM 329 CG TYR A 111 -3.085 23.148 0.772 1.00 0.68 C ATOM 330 CD1 TYR A 111 -3.202 23.914 1.942 1.00 0.78 C ATOM 331 CD2 TYR A 111 -4.053 22.181 0.471 1.00 0.71 C ATOM 332 CE1 TYR A 111 -4.289 23.716 2.803 1.00 0.83 C ATOM 333 CE2 TYR A 111 -5.138 21.983 1.334 1.00 0.78 C ATOM 334 CZ TYR A 111 -5.255 22.749 2.501 1.00 0.80 C ATOM 335 OH TYR A 111 -6.327 22.554 3.348 1.00 0.90 O ATOM 0 H TYR A 111 -0.370 23.979 1.907 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.841 21.491 0.231 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.662 24.420 -0.214 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -2.172 23.043 -1.170 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -2.454 24.656 2.179 1.00 0.78 H new ATOM 0 HD2 TYR A 111 -3.962 21.588 -0.427 1.00 0.71 H new ATOM 0 HE1 TYR A 111 -4.382 24.310 3.700 1.00 0.83 H new ATOM 0 HE2 TYR A 111 -5.885 21.239 1.100 1.00 0.78 H new ATOM 0 HH TYR A 111 -6.903 21.847 2.989 1.00 0.90 H new ATOM 345 N ILE A 112 1.146 21.974 -1.133 1.00 0.50 N ATOM 346 CA ILE A 112 2.385 22.261 -1.928 1.00 0.50 C ATOM 347 C ILE A 112 2.042 22.877 -3.293 1.00 0.49 C ATOM 348 O ILE A 112 1.047 22.542 -3.908 1.00 0.66 O ATOM 349 CB ILE A 112 3.074 20.902 -2.088 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.730 20.522 -0.761 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.149 20.980 -3.177 1.00 0.58 C ATOM 352 CD1 ILE A 112 3.836 19.004 -0.657 1.00 0.66 C ATOM 0 H ILE A 112 0.829 21.005 -1.163 1.00 0.50 H new ATOM 0 HA ILE A 112 3.028 22.988 -1.432 1.00 0.50 H new ATOM 0 HB ILE A 112 2.334 20.154 -2.372 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.721 20.971 -0.692 1.00 0.62 H new ATOM 0 HG13 ILE A 112 3.144 20.913 0.071 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.632 20.008 -3.282 1.00 0.58 H new ATOM 0 HG22 ILE A 112 3.688 21.260 -4.124 1.00 0.58 H new ATOM 0 HG23 ILE A 112 4.893 21.727 -2.901 1.00 0.58 H new ATOM 0 HD11 ILE A 112 4.304 18.736 0.290 1.00 0.66 H new ATOM 0 HD12 ILE A 112 2.839 18.565 -0.706 1.00 0.66 H new ATOM 0 HD13 ILE A 112 4.440 18.624 -1.481 1.00 0.66 H new ATOM 364 N ASP A 113 2.872 23.782 -3.758 1.00 0.47 N ATOM 365 CA ASP A 113 2.627 24.447 -5.076 1.00 0.50 C ATOM 366 C ASP A 113 3.727 24.068 -6.083 1.00 0.50 C ATOM 367 O ASP A 113 4.791 23.609 -5.711 1.00 0.57 O ATOM 368 CB ASP A 113 2.653 25.946 -4.763 1.00 0.60 C ATOM 369 CG ASP A 113 1.576 26.274 -3.723 1.00 1.17 C ATOM 370 OD1 ASP A 113 1.859 26.150 -2.540 1.00 1.77 O ATOM 371 OD2 ASP A 113 0.485 26.638 -4.124 1.00 1.85 O ATOM 0 H ASP A 113 3.716 24.090 -3.275 1.00 0.47 H new ATOM 0 HA ASP A 113 1.684 24.144 -5.530 1.00 0.50 H new ATOM 0 HB2 ASP A 113 3.635 26.232 -4.387 1.00 0.60 H new ATOM 0 HB3 ASP A 113 2.481 26.521 -5.673 1.00 0.60 H new ATOM 376 N LEU A 114 3.457 24.238 -7.358 1.00 0.52 N ATOM 377 CA LEU A 114 4.457 23.870 -8.418 1.00 0.57 C ATOM 378 C LEU A 114 5.850 24.446 -8.122 1.00 0.63 C ATOM 379 O LEU A 114 6.840 23.741 -8.187 1.00 0.80 O ATOM 380 CB LEU A 114 3.897 24.457 -9.720 1.00 0.62 C ATOM 381 CG LEU A 114 3.212 23.347 -10.527 1.00 0.61 C ATOM 382 CD1 LEU A 114 2.255 23.961 -11.551 1.00 0.91 C ATOM 383 CD2 LEU A 114 4.274 22.521 -11.257 1.00 0.81 C ATOM 0 H LEU A 114 2.580 24.619 -7.713 1.00 0.52 H new ATOM 0 HA LEU A 114 4.590 22.789 -8.471 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.185 25.252 -9.497 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.701 24.904 -10.305 1.00 0.62 H new ATOM 0 HG LEU A 114 2.648 22.706 -9.849 1.00 0.61 H new ATOM 0 HD11 LEU A 114 1.772 23.166 -12.120 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.497 24.549 -11.034 1.00 0.91 H new ATOM 0 HD13 LEU A 114 2.813 24.606 -12.230 1.00 0.91 H new ATOM 0 HD21 LEU A 114 3.789 21.731 -11.831 1.00 0.81 H new ATOM 0 HD22 LEU A 114 4.837 23.167 -11.931 1.00 0.81 H new ATOM 0 HD23 LEU A 114 4.953 22.076 -10.529 1.00 0.81 H new ATOM 395 N ASP A 115 5.942 25.712 -7.805 1.00 0.61 N ATOM 396 CA ASP A 115 7.281 26.321 -7.516 1.00 0.71 C ATOM 397 C ASP A 115 7.990 25.590 -6.364 1.00 0.65 C ATOM 398 O ASP A 115 9.202 25.504 -6.330 1.00 0.89 O ATOM 399 CB ASP A 115 6.985 27.771 -7.129 1.00 0.80 C ATOM 400 CG ASP A 115 8.111 28.667 -7.641 1.00 1.17 C ATOM 401 OD1 ASP A 115 9.107 28.788 -6.948 1.00 1.76 O ATOM 402 OD2 ASP A 115 7.963 29.211 -8.722 1.00 1.76 O ATOM 0 H ASP A 115 5.151 26.352 -7.733 1.00 0.61 H new ATOM 0 HA ASP A 115 7.946 26.251 -8.377 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.032 28.086 -7.554 1.00 0.80 H new ATOM 0 HB3 ASP A 115 6.897 27.860 -6.046 1.00 0.80 H new ATOM 407 N GLU A 116 7.245 25.063 -5.429 1.00 0.51 N ATOM 408 CA GLU A 116 7.874 24.335 -4.282 1.00 0.48 C ATOM 409 C GLU A 116 8.171 22.874 -4.660 1.00 0.49 C ATOM 410 O GLU A 116 8.994 22.227 -4.042 1.00 0.63 O ATOM 411 CB GLU A 116 6.839 24.404 -3.159 1.00 0.48 C ATOM 412 CG GLU A 116 6.422 25.861 -2.947 1.00 0.57 C ATOM 413 CD GLU A 116 5.524 25.963 -1.722 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.771 25.248 -0.763 1.00 1.36 O ATOM 415 OE2 GLU A 116 4.599 26.753 -1.760 1.00 1.19 O ATOM 0 H GLU A 116 6.226 25.104 -5.408 1.00 0.51 H new ATOM 0 HA GLU A 116 8.827 24.776 -3.990 1.00 0.48 H new ATOM 0 HB2 GLU A 116 5.969 23.798 -3.412 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.256 23.995 -2.239 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.305 26.487 -2.816 1.00 0.57 H new ATOM 0 HG3 GLU A 116 5.896 26.231 -3.827 1.00 0.57 H new ATOM 422 N LEU A 117 7.506 22.347 -5.667 1.00 0.48 N ATOM 423 CA LEU A 117 7.749 20.925 -6.080 1.00 0.52 C ATOM 424 C LEU A 117 9.227 20.697 -6.442 1.00 0.58 C ATOM 425 O LEU A 117 9.798 19.675 -6.110 1.00 0.69 O ATOM 426 CB LEU A 117 6.863 20.690 -7.310 1.00 0.55 C ATOM 427 CG LEU A 117 5.391 20.579 -6.894 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.520 20.438 -8.144 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.197 19.350 -5.998 1.00 0.53 C ATOM 0 H LEU A 117 6.806 22.842 -6.220 1.00 0.48 H new ATOM 0 HA LEU A 117 7.514 20.237 -5.268 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.987 21.510 -8.018 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.173 19.778 -7.821 1.00 0.55 H new ATOM 0 HG LEU A 117 5.103 21.475 -6.344 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.473 20.359 -7.851 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.653 21.312 -8.781 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.812 19.542 -8.692 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.150 19.275 -5.705 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.486 18.452 -6.544 1.00 0.53 H new ATOM 0 HD23 LEU A 117 5.817 19.448 -5.107 1.00 0.53 H new ATOM 441 N LYS A 118 9.847 21.630 -7.125 1.00 0.59 N ATOM 442 CA LYS A 118 11.286 21.448 -7.509 1.00 0.69 C ATOM 443 C LYS A 118 12.204 21.502 -6.278 1.00 0.64 C ATOM 444 O LYS A 118 13.171 20.771 -6.193 1.00 0.73 O ATOM 445 CB LYS A 118 11.611 22.586 -8.490 1.00 0.83 C ATOM 446 CG LYS A 118 11.459 23.951 -7.806 1.00 0.99 C ATOM 447 CD LYS A 118 11.120 25.012 -8.858 1.00 1.35 C ATOM 448 CE LYS A 118 11.408 26.411 -8.295 1.00 1.51 C ATOM 449 NZ LYS A 118 10.627 27.353 -9.149 1.00 1.99 N1+ ATOM 0 H LYS A 118 9.423 22.505 -7.432 1.00 0.59 H new ATOM 0 HA LYS A 118 11.450 20.472 -7.965 1.00 0.69 H new ATOM 0 HB2 LYS A 118 12.629 22.472 -8.863 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.947 22.530 -9.353 1.00 0.83 H new ATOM 0 HG2 LYS A 118 10.673 23.907 -7.052 1.00 0.99 H new ATOM 0 HG3 LYS A 118 12.382 24.216 -7.290 1.00 0.99 H new ATOM 0 HD2 LYS A 118 11.709 24.844 -9.760 1.00 1.35 H new ATOM 0 HD3 LYS A 118 10.071 24.933 -9.143 1.00 1.35 H new ATOM 0 HE2 LYS A 118 11.104 26.484 -7.251 1.00 1.51 H new ATOM 0 HE3 LYS A 118 12.473 26.638 -8.333 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 10.394 28.206 -8.602 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 11.193 27.618 -9.980 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 9.749 26.892 -9.461 1.00 1.99 H new ATOM 463 N ILE A 119 11.907 22.348 -5.322 1.00 0.68 N ATOM 464 CA ILE A 119 12.770 22.435 -4.098 1.00 0.74 C ATOM 465 C ILE A 119 12.659 21.149 -3.252 1.00 0.75 C ATOM 466 O ILE A 119 13.462 20.913 -2.368 1.00 0.85 O ATOM 467 CB ILE A 119 12.246 23.655 -3.328 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.548 24.932 -4.123 1.00 1.22 C ATOM 469 CG2 ILE A 119 12.928 23.740 -1.956 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.471 25.978 -3.833 1.00 1.06 C ATOM 0 H ILE A 119 11.107 22.981 -5.334 1.00 0.68 H new ATOM 0 HA ILE A 119 13.826 22.538 -4.348 1.00 0.74 H new ATOM 0 HB ILE A 119 11.170 23.553 -3.190 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.530 25.320 -3.850 1.00 1.22 H new ATOM 0 HG13 ILE A 119 12.578 24.711 -5.190 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.551 24.608 -1.415 1.00 1.08 H new ATOM 0 HG22 ILE A 119 12.713 22.836 -1.386 1.00 1.08 H new ATOM 0 HG23 ILE A 119 14.005 23.836 -2.091 1.00 1.08 H new ATOM 0 HD11 ILE A 119 11.684 26.886 -4.397 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.497 25.588 -4.127 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.463 26.207 -2.767 1.00 1.06 H new ATOM 482 N MET A 120 11.680 20.315 -3.518 1.00 0.85 N ATOM 483 CA MET A 120 11.529 19.046 -2.736 1.00 1.01 C ATOM 484 C MET A 120 12.673 18.072 -3.065 1.00 0.95 C ATOM 485 O MET A 120 13.252 17.462 -2.183 1.00 1.11 O ATOM 486 CB MET A 120 10.192 18.455 -3.192 1.00 1.17 C ATOM 487 CG MET A 120 9.031 19.238 -2.577 1.00 1.52 C ATOM 488 SD MET A 120 7.514 18.862 -3.489 1.00 1.88 S ATOM 489 CE MET A 120 6.525 18.313 -2.080 1.00 1.43 C ATOM 0 H MET A 120 10.978 20.459 -4.244 1.00 0.85 H new ATOM 0 HA MET A 120 11.559 19.225 -1.661 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.125 18.485 -4.280 1.00 1.17 H new ATOM 0 HB3 MET A 120 10.130 17.407 -2.898 1.00 1.17 H new ATOM 0 HG2 MET A 120 8.914 18.973 -1.526 1.00 1.52 H new ATOM 0 HG3 MET A 120 9.237 20.308 -2.615 1.00 1.52 H new ATOM 0 HE1 MET A 120 5.542 17.994 -2.427 1.00 1.43 H new ATOM 0 HE2 MET A 120 7.024 17.478 -1.588 1.00 1.43 H new ATOM 0 HE3 MET A 120 6.411 19.135 -1.373 1.00 1.43 H new ATOM 499 N LEU A 121 12.991 17.920 -4.331 1.00 0.87 N ATOM 500 CA LEU A 121 14.088 16.980 -4.745 1.00 0.95 C ATOM 501 C LEU A 121 15.475 17.487 -4.312 1.00 0.87 C ATOM 502 O LEU A 121 16.448 16.760 -4.391 1.00 0.97 O ATOM 503 CB LEU A 121 14.001 16.923 -6.273 1.00 1.09 C ATOM 504 CG LEU A 121 14.452 15.548 -6.769 1.00 1.41 C ATOM 505 CD1 LEU A 121 13.323 14.534 -6.574 1.00 2.03 C ATOM 506 CD2 LEU A 121 14.795 15.636 -8.256 1.00 1.80 C ATOM 0 H LEU A 121 12.535 18.410 -5.101 1.00 0.87 H new ATOM 0 HA LEU A 121 13.966 16.004 -4.276 1.00 0.95 H new ATOM 0 HB2 LEU A 121 12.978 17.118 -6.595 1.00 1.09 H new ATOM 0 HB3 LEU A 121 14.627 17.701 -6.711 1.00 1.09 H new ATOM 0 HG LEU A 121 15.328 15.230 -6.204 1.00 1.41 H new ATOM 0 HD11 LEU A 121 13.647 13.556 -6.928 1.00 2.03 H new ATOM 0 HD12 LEU A 121 13.069 14.471 -5.516 1.00 2.03 H new ATOM 0 HD13 LEU A 121 12.447 14.852 -7.139 1.00 2.03 H new ATOM 0 HD21 LEU A 121 15.117 14.658 -8.614 1.00 1.80 H new ATOM 0 HD22 LEU A 121 13.915 15.955 -8.814 1.00 1.80 H new ATOM 0 HD23 LEU A 121 15.598 16.358 -8.402 1.00 1.80 H new ATOM 518 N GLN A 122 15.580 18.714 -3.858 1.00 0.82 N ATOM 519 CA GLN A 122 16.912 19.246 -3.422 1.00 0.95 C ATOM 520 C GLN A 122 17.519 18.356 -2.330 1.00 1.04 C ATOM 521 O GLN A 122 18.724 18.233 -2.223 1.00 1.19 O ATOM 522 CB GLN A 122 16.627 20.647 -2.879 1.00 1.14 C ATOM 523 CG GLN A 122 16.642 21.647 -4.038 1.00 1.42 C ATOM 524 CD GLN A 122 16.275 23.044 -3.532 1.00 1.85 C ATOM 525 OE1 GLN A 122 16.413 23.340 -2.361 1.00 2.44 O ATOM 526 NE2 GLN A 122 15.810 23.923 -4.372 1.00 2.28 N ATOM 0 H GLN A 122 14.803 19.369 -3.771 1.00 0.82 H new ATOM 0 HA GLN A 122 17.630 19.266 -4.242 1.00 0.95 H new ATOM 0 HB2 GLN A 122 15.659 20.666 -2.378 1.00 1.14 H new ATOM 0 HB3 GLN A 122 17.376 20.922 -2.136 1.00 1.14 H new ATOM 0 HG2 GLN A 122 17.630 21.667 -4.499 1.00 1.42 H new ATOM 0 HG3 GLN A 122 15.937 21.334 -4.808 1.00 1.42 H new ATOM 0 HE21 GLN A 122 15.693 23.677 -5.355 1.00 2.28 H new ATOM 0 HE22 GLN A 122 15.562 24.858 -4.047 1.00 2.28 H new ATOM 535 N ALA A 123 16.692 17.733 -1.526 1.00 1.09 N ATOM 536 CA ALA A 123 17.212 16.844 -0.441 1.00 1.33 C ATOM 537 C ALA A 123 17.974 15.639 -1.028 1.00 1.38 C ATOM 538 O ALA A 123 18.885 15.121 -0.412 1.00 1.62 O ATOM 539 CB ALA A 123 15.964 16.381 0.320 1.00 1.45 C ATOM 0 H ALA A 123 15.676 17.802 -1.575 1.00 1.09 H new ATOM 0 HA ALA A 123 17.920 17.363 0.206 1.00 1.33 H new ATOM 0 HB1 ALA A 123 16.259 15.722 1.136 1.00 1.45 H new ATOM 0 HB2 ALA A 123 15.442 17.248 0.725 1.00 1.45 H new ATOM 0 HB3 ALA A 123 15.302 15.844 -0.359 1.00 1.45 H new ATOM 545 N THR A 124 17.614 15.188 -2.210 1.00 1.29 N ATOM 546 CA THR A 124 18.327 14.015 -2.821 1.00 1.47 C ATOM 547 C THR A 124 19.052 14.410 -4.123 1.00 1.44 C ATOM 548 O THR A 124 19.411 13.559 -4.916 1.00 1.72 O ATOM 549 CB THR A 124 17.225 12.979 -3.102 1.00 1.56 C ATOM 550 OG1 THR A 124 17.819 11.722 -3.400 1.00 2.16 O ATOM 551 CG2 THR A 124 16.361 13.428 -4.286 1.00 1.92 C ATOM 0 H THR A 124 16.861 15.579 -2.776 1.00 1.29 H new ATOM 0 HA THR A 124 19.099 13.626 -2.157 1.00 1.47 H new ATOM 0 HB THR A 124 16.594 12.888 -2.218 1.00 1.56 H new ATOM 0 HG1 THR A 124 18.560 11.851 -4.028 1.00 2.16 H new ATOM 0 HG21 THR A 124 15.586 12.685 -4.473 1.00 1.92 H new ATOM 0 HG22 THR A 124 15.897 14.387 -4.055 1.00 1.92 H new ATOM 0 HG23 THR A 124 16.985 13.532 -5.173 1.00 1.92 H new ATOM 559 N GLY A 125 19.274 15.684 -4.352 1.00 1.26 N ATOM 560 CA GLY A 125 19.975 16.110 -5.603 1.00 1.32 C ATOM 561 C GLY A 125 18.951 16.613 -6.623 1.00 1.26 C ATOM 562 O GLY A 125 18.433 15.854 -7.419 1.00 1.63 O ATOM 0 H GLY A 125 19.001 16.443 -3.728 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.695 16.897 -5.378 1.00 1.32 H new ATOM 0 HA3 GLY A 125 20.537 15.274 -6.019 1.00 1.32 H new ATOM 566 N GLU A 126 18.658 17.890 -6.608 1.00 1.02 N ATOM 567 CA GLU A 126 17.667 18.447 -7.581 1.00 1.08 C ATOM 568 C GLU A 126 18.356 18.761 -8.918 1.00 0.89 C ATOM 569 O GLU A 126 18.866 19.847 -9.127 1.00 0.87 O ATOM 570 CB GLU A 126 17.139 19.727 -6.922 1.00 1.34 C ATOM 571 CG GLU A 126 15.966 20.285 -7.738 1.00 1.45 C ATOM 572 CD GLU A 126 16.047 21.813 -7.783 1.00 1.61 C ATOM 573 OE1 GLU A 126 16.769 22.323 -8.622 1.00 2.16 O ATOM 574 OE2 GLU A 126 15.386 22.447 -6.977 1.00 2.09 O ATOM 0 H GLU A 126 19.062 18.571 -5.965 1.00 1.02 H new ATOM 0 HA GLU A 126 16.862 17.746 -7.802 1.00 1.08 H new ATOM 0 HB2 GLU A 126 16.817 19.516 -5.902 1.00 1.34 H new ATOM 0 HB3 GLU A 126 17.935 20.469 -6.858 1.00 1.34 H new ATOM 0 HG2 GLU A 126 15.990 19.880 -8.750 1.00 1.45 H new ATOM 0 HG3 GLU A 126 15.021 19.975 -7.293 1.00 1.45 H new ATOM 581 N THR A 127 18.374 17.812 -9.820 1.00 1.09 N ATOM 582 CA THR A 127 19.026 18.038 -11.152 1.00 1.21 C ATOM 583 C THR A 127 18.025 18.638 -12.151 1.00 1.29 C ATOM 584 O THR A 127 18.403 19.357 -13.056 1.00 1.60 O ATOM 585 CB THR A 127 19.484 16.653 -11.627 1.00 1.57 C ATOM 586 OG1 THR A 127 18.401 15.735 -11.543 1.00 1.91 O ATOM 587 CG2 THR A 127 20.639 16.163 -10.753 1.00 2.18 C ATOM 0 H THR A 127 17.965 16.886 -9.693 1.00 1.09 H new ATOM 0 HA THR A 127 19.858 18.738 -11.076 1.00 1.21 H new ATOM 0 HB THR A 127 19.819 16.723 -12.662 1.00 1.57 H new ATOM 0 HG1 THR A 127 18.696 14.852 -11.849 1.00 1.91 H new ATOM 0 HG21 THR A 127 20.961 15.179 -11.094 1.00 2.18 H new ATOM 0 HG22 THR A 127 21.472 16.863 -10.825 1.00 2.18 H new ATOM 0 HG23 THR A 127 20.309 16.098 -9.716 1.00 2.18 H new ATOM 595 N ILE A 128 16.756 18.346 -11.997 1.00 1.08 N ATOM 596 CA ILE A 128 15.731 18.900 -12.943 1.00 1.20 C ATOM 597 C ILE A 128 15.286 20.301 -12.491 1.00 1.18 C ATOM 598 O ILE A 128 15.509 20.699 -11.364 1.00 1.15 O ATOM 599 CB ILE A 128 14.554 17.911 -12.900 1.00 1.12 C ATOM 600 CG1 ILE A 128 14.004 17.804 -11.471 1.00 1.32 C ATOM 601 CG2 ILE A 128 15.023 16.529 -13.367 1.00 1.62 C ATOM 602 CD1 ILE A 128 12.533 17.379 -11.516 1.00 2.03 C ATOM 0 H ILE A 128 16.384 17.749 -11.259 1.00 1.08 H new ATOM 0 HA ILE A 128 16.125 19.007 -13.953 1.00 1.20 H new ATOM 0 HB ILE A 128 13.767 18.274 -13.561 1.00 1.12 H new ATOM 0 HG12 ILE A 128 14.585 17.079 -10.900 1.00 1.32 H new ATOM 0 HG13 ILE A 128 14.100 18.762 -10.961 1.00 1.32 H new ATOM 0 HG21 ILE A 128 14.186 15.831 -13.335 1.00 1.62 H new ATOM 0 HG22 ILE A 128 15.399 16.598 -14.388 1.00 1.62 H new ATOM 0 HG23 ILE A 128 15.817 16.173 -12.711 1.00 1.62 H new ATOM 0 HD11 ILE A 128 12.145 17.304 -10.500 1.00 2.03 H new ATOM 0 HD12 ILE A 128 11.957 18.120 -12.071 1.00 2.03 H new ATOM 0 HD13 ILE A 128 12.449 16.411 -12.009 1.00 2.03 H new ATOM 614 N THR A 129 14.659 21.050 -13.365 1.00 1.34 N ATOM 615 CA THR A 129 14.198 22.430 -12.994 1.00 1.42 C ATOM 616 C THR A 129 12.665 22.464 -12.884 1.00 1.16 C ATOM 617 O THR A 129 12.005 21.459 -13.068 1.00 0.97 O ATOM 618 CB THR A 129 14.674 23.346 -14.136 1.00 1.64 C ATOM 619 OG1 THR A 129 15.853 22.814 -14.731 1.00 2.23 O ATOM 620 CG2 THR A 129 14.977 24.740 -13.585 1.00 2.28 C ATOM 0 H THR A 129 14.445 20.767 -14.321 1.00 1.34 H new ATOM 0 HA THR A 129 14.598 22.747 -12.031 1.00 1.42 H new ATOM 0 HB THR A 129 13.887 23.409 -14.887 1.00 1.64 H new ATOM 0 HG1 THR A 129 16.147 23.403 -15.457 1.00 2.23 H new ATOM 0 HG21 THR A 129 15.314 25.386 -14.396 1.00 2.28 H new ATOM 0 HG22 THR A 129 14.075 25.158 -13.138 1.00 2.28 H new ATOM 0 HG23 THR A 129 15.758 24.670 -12.828 1.00 2.28 H new ATOM 628 N GLU A 130 12.090 23.612 -12.590 1.00 1.31 N ATOM 629 CA GLU A 130 10.590 23.699 -12.479 1.00 1.28 C ATOM 630 C GLU A 130 9.921 23.208 -13.773 1.00 1.16 C ATOM 631 O GLU A 130 8.830 22.669 -13.747 1.00 1.21 O ATOM 632 CB GLU A 130 10.246 25.178 -12.220 1.00 1.69 C ATOM 633 CG GLU A 130 11.064 26.107 -13.130 1.00 2.05 C ATOM 634 CD GLU A 130 11.988 26.972 -12.271 1.00 2.43 C ATOM 635 OE1 GLU A 130 13.049 26.494 -11.910 1.00 3.03 O ATOM 636 OE2 GLU A 130 11.610 28.092 -11.973 1.00 2.70 O ATOM 0 H GLU A 130 12.589 24.486 -12.423 1.00 1.31 H new ATOM 0 HA GLU A 130 10.225 23.067 -11.669 1.00 1.28 H new ATOM 0 HB2 GLU A 130 9.182 25.342 -12.391 1.00 1.69 H new ATOM 0 HB3 GLU A 130 10.442 25.422 -11.176 1.00 1.69 H new ATOM 0 HG2 GLU A 130 11.650 25.519 -13.836 1.00 2.05 H new ATOM 0 HG3 GLU A 130 10.398 26.739 -13.717 1.00 2.05 H new ATOM 643 N ASP A 131 10.573 23.376 -14.897 1.00 1.18 N ATOM 644 CA ASP A 131 9.991 22.907 -16.193 1.00 1.19 C ATOM 645 C ASP A 131 9.826 21.377 -16.186 1.00 1.07 C ATOM 646 O ASP A 131 8.870 20.846 -16.720 1.00 1.14 O ATOM 647 CB ASP A 131 11.012 23.327 -17.256 1.00 1.44 C ATOM 648 CG ASP A 131 11.129 24.852 -17.287 1.00 1.48 C ATOM 649 OD1 ASP A 131 10.358 25.472 -17.997 1.00 2.07 O ATOM 650 OD2 ASP A 131 11.990 25.374 -16.596 1.00 1.91 O ATOM 0 H ASP A 131 11.488 23.820 -14.973 1.00 1.18 H new ATOM 0 HA ASP A 131 9.004 23.331 -16.378 1.00 1.19 H new ATOM 0 HB2 ASP A 131 11.983 22.883 -17.037 1.00 1.44 H new ATOM 0 HB3 ASP A 131 10.706 22.956 -18.234 1.00 1.44 H new ATOM 655 N ASP A 132 10.752 20.672 -15.582 1.00 1.00 N ATOM 656 CA ASP A 132 10.661 19.178 -15.530 1.00 1.03 C ATOM 657 C ASP A 132 9.676 18.726 -14.438 1.00 0.88 C ATOM 658 O ASP A 132 9.151 17.629 -14.486 1.00 1.03 O ATOM 659 CB ASP A 132 12.082 18.705 -15.197 1.00 1.13 C ATOM 660 CG ASP A 132 13.071 19.229 -16.243 1.00 1.39 C ATOM 661 OD1 ASP A 132 13.169 18.618 -17.294 1.00 1.99 O ATOM 662 OD2 ASP A 132 13.717 20.229 -15.971 1.00 1.79 O ATOM 0 H ASP A 132 11.571 21.069 -15.121 1.00 1.00 H new ATOM 0 HA ASP A 132 10.296 18.762 -16.469 1.00 1.03 H new ATOM 0 HB2 ASP A 132 12.368 19.058 -14.206 1.00 1.13 H new ATOM 0 HB3 ASP A 132 12.114 17.616 -15.169 1.00 1.13 H new ATOM 667 N ILE A 133 9.424 19.561 -13.453 1.00 0.75 N ATOM 668 CA ILE A 133 8.476 19.182 -12.349 1.00 0.77 C ATOM 669 C ILE A 133 7.104 18.778 -12.904 1.00 0.70 C ATOM 670 O ILE A 133 6.412 17.971 -12.313 1.00 0.82 O ATOM 671 CB ILE A 133 8.340 20.439 -11.479 1.00 0.87 C ATOM 672 CG1 ILE A 133 9.677 20.745 -10.792 1.00 0.96 C ATOM 673 CG2 ILE A 133 7.258 20.224 -10.415 1.00 1.06 C ATOM 674 CD1 ILE A 133 10.074 19.593 -9.864 1.00 1.00 C ATOM 0 H ILE A 133 9.835 20.491 -13.365 1.00 0.75 H new ATOM 0 HA ILE A 133 8.850 18.325 -11.788 1.00 0.77 H new ATOM 0 HB ILE A 133 8.059 21.279 -12.115 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.452 20.900 -11.543 1.00 0.96 H new ATOM 0 HG13 ILE A 133 9.597 21.670 -10.221 1.00 0.96 H new ATOM 0 HG21 ILE A 133 7.168 21.121 -9.802 1.00 1.06 H new ATOM 0 HG22 ILE A 133 6.304 20.020 -10.902 1.00 1.06 H new ATOM 0 HG23 ILE A 133 7.531 19.379 -9.784 1.00 1.06 H new ATOM 0 HD11 ILE A 133 11.025 19.824 -9.383 1.00 1.00 H new ATOM 0 HD12 ILE A 133 9.306 19.458 -9.103 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.174 18.676 -10.445 1.00 1.00 H new ATOM 686 N GLU A 134 6.702 19.332 -14.022 1.00 0.61 N ATOM 687 CA GLU A 134 5.368 18.977 -14.606 1.00 0.64 C ATOM 688 C GLU A 134 5.210 17.452 -14.732 1.00 0.64 C ATOM 689 O GLU A 134 4.118 16.928 -14.616 1.00 0.76 O ATOM 690 CB GLU A 134 5.347 19.644 -15.983 1.00 0.73 C ATOM 691 CG GLU A 134 5.054 21.140 -15.819 1.00 0.89 C ATOM 692 CD GLU A 134 3.599 21.337 -15.383 1.00 1.21 C ATOM 693 OE1 GLU A 134 2.730 21.271 -16.238 1.00 1.86 O ATOM 694 OE2 GLU A 134 3.378 21.549 -14.202 1.00 1.87 O ATOM 0 H GLU A 134 7.239 20.015 -14.556 1.00 0.61 H new ATOM 0 HA GLU A 134 4.545 19.316 -13.976 1.00 0.64 H new ATOM 0 HB2 GLU A 134 6.305 19.502 -16.483 1.00 0.73 H new ATOM 0 HB3 GLU A 134 4.588 19.180 -16.613 1.00 0.73 H new ATOM 0 HG2 GLU A 134 5.727 21.573 -15.079 1.00 0.89 H new ATOM 0 HG3 GLU A 134 5.236 21.661 -16.759 1.00 0.89 H new ATOM 701 N GLU A 135 6.292 16.737 -14.949 1.00 0.59 N ATOM 702 CA GLU A 135 6.210 15.244 -15.061 1.00 0.67 C ATOM 703 C GLU A 135 5.644 14.647 -13.762 1.00 0.74 C ATOM 704 O GLU A 135 4.822 13.751 -13.788 1.00 0.91 O ATOM 705 CB GLU A 135 7.656 14.781 -15.276 1.00 0.72 C ATOM 706 CG GLU A 135 7.680 13.532 -16.169 1.00 1.16 C ATOM 707 CD GLU A 135 7.253 12.302 -15.361 1.00 1.56 C ATOM 708 OE1 GLU A 135 7.824 12.076 -14.306 1.00 2.29 O ATOM 709 OE2 GLU A 135 6.362 11.603 -15.815 1.00 2.03 O ATOM 0 H GLU A 135 7.230 17.125 -15.053 1.00 0.59 H new ATOM 0 HA GLU A 135 5.555 14.926 -15.872 1.00 0.67 H new ATOM 0 HB2 GLU A 135 8.237 15.579 -15.737 1.00 0.72 H new ATOM 0 HB3 GLU A 135 8.123 14.561 -14.316 1.00 0.72 H new ATOM 0 HG2 GLU A 135 7.011 13.669 -17.019 1.00 1.16 H new ATOM 0 HG3 GLU A 135 8.681 13.383 -16.573 1.00 1.16 H new ATOM 716 N LEU A 136 6.075 15.146 -12.629 1.00 0.73 N ATOM 717 CA LEU A 136 5.562 14.619 -11.325 1.00 0.87 C ATOM 718 C LEU A 136 4.274 15.357 -10.911 1.00 0.81 C ATOM 719 O LEU A 136 3.470 14.832 -10.163 1.00 1.00 O ATOM 720 CB LEU A 136 6.682 14.891 -10.310 1.00 0.99 C ATOM 721 CG LEU A 136 7.864 13.944 -10.563 1.00 1.09 C ATOM 722 CD1 LEU A 136 9.169 14.744 -10.580 1.00 1.74 C ATOM 723 CD2 LEU A 136 7.931 12.891 -9.449 1.00 1.75 C ATOM 0 H LEU A 136 6.761 15.897 -12.551 1.00 0.73 H new ATOM 0 HA LEU A 136 5.314 13.559 -11.387 1.00 0.87 H new ATOM 0 HB2 LEU A 136 7.012 15.927 -10.390 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.306 14.753 -9.296 1.00 0.99 H new ATOM 0 HG LEU A 136 7.726 13.449 -11.524 1.00 1.09 H new ATOM 0 HD11 LEU A 136 10.007 14.070 -10.760 1.00 1.74 H new ATOM 0 HD12 LEU A 136 9.128 15.491 -11.373 1.00 1.74 H new ATOM 0 HD13 LEU A 136 9.303 15.242 -9.620 1.00 1.74 H new ATOM 0 HD21 LEU A 136 8.771 12.221 -9.632 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.065 13.387 -8.487 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.005 12.317 -9.435 1.00 1.75 H new ATOM 735 N MET A 137 4.078 16.574 -11.374 1.00 0.67 N ATOM 736 CA MET A 137 2.848 17.339 -10.982 1.00 0.71 C ATOM 737 C MET A 137 1.588 16.757 -11.637 1.00 0.68 C ATOM 738 O MET A 137 0.561 16.658 -10.997 1.00 0.70 O ATOM 739 CB MET A 137 3.085 18.781 -11.446 1.00 0.82 C ATOM 740 CG MET A 137 1.939 19.679 -10.947 1.00 0.99 C ATOM 741 SD MET A 137 1.586 19.313 -9.206 1.00 0.94 S ATOM 742 CE MET A 137 0.899 20.924 -8.735 1.00 0.53 C ATOM 0 H MET A 137 4.713 17.066 -12.002 1.00 0.67 H new ATOM 0 HA MET A 137 2.682 17.283 -9.906 1.00 0.71 H new ATOM 0 HB2 MET A 137 4.039 19.145 -11.063 1.00 0.82 H new ATOM 0 HB3 MET A 137 3.143 18.819 -12.534 1.00 0.82 H new ATOM 0 HG2 MET A 137 2.211 20.728 -11.060 1.00 0.99 H new ATOM 0 HG3 MET A 137 1.047 19.515 -11.551 1.00 0.99 H new ATOM 0 HE1 MET A 137 1.551 21.397 -8.001 1.00 0.53 H new ATOM 0 HE2 MET A 137 0.824 21.560 -9.617 1.00 0.53 H new ATOM 0 HE3 MET A 137 -0.092 20.785 -8.303 1.00 0.53 H new ATOM 752 N LYS A 138 1.638 16.376 -12.897 1.00 0.76 N ATOM 753 CA LYS A 138 0.404 15.808 -13.544 1.00 0.82 C ATOM 754 C LYS A 138 -0.140 14.634 -12.721 1.00 0.72 C ATOM 755 O LYS A 138 -1.336 14.471 -12.583 1.00 0.84 O ATOM 756 CB LYS A 138 0.792 15.331 -14.954 1.00 0.99 C ATOM 757 CG LYS A 138 2.026 14.414 -14.915 1.00 1.57 C ATOM 758 CD LYS A 138 2.017 13.501 -16.150 1.00 2.09 C ATOM 759 CE LYS A 138 3.427 12.966 -16.426 1.00 2.74 C ATOM 760 NZ LYS A 138 3.641 11.885 -15.423 1.00 3.43 N1+ ATOM 0 H LYS A 138 2.462 16.432 -13.495 1.00 0.76 H new ATOM 0 HA LYS A 138 -0.376 16.567 -13.598 1.00 0.82 H new ATOM 0 HB2 LYS A 138 -0.046 14.798 -15.403 1.00 0.99 H new ATOM 0 HB3 LYS A 138 0.997 16.193 -15.588 1.00 0.99 H new ATOM 0 HG2 LYS A 138 2.937 15.012 -14.897 1.00 1.57 H new ATOM 0 HG3 LYS A 138 2.020 13.814 -14.005 1.00 1.57 H new ATOM 0 HD2 LYS A 138 1.330 12.670 -15.991 1.00 2.09 H new ATOM 0 HD3 LYS A 138 1.654 14.054 -17.017 1.00 2.09 H new ATOM 0 HE2 LYS A 138 3.510 12.581 -17.442 1.00 2.74 H new ATOM 0 HE3 LYS A 138 4.174 13.753 -16.321 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 4.308 11.184 -15.805 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 4.031 12.294 -14.550 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 2.734 11.421 -15.213 1.00 3.43 H new ATOM 774 N ASP A 139 0.725 13.825 -12.161 1.00 0.75 N ATOM 775 CA ASP A 139 0.245 12.678 -11.338 1.00 0.78 C ATOM 776 C ASP A 139 -0.047 13.153 -9.909 1.00 0.70 C ATOM 777 O ASP A 139 -0.947 12.658 -9.260 1.00 0.81 O ATOM 778 CB ASP A 139 1.379 11.651 -11.372 1.00 0.97 C ATOM 779 CG ASP A 139 1.163 10.701 -12.551 1.00 1.16 C ATOM 780 OD1 ASP A 139 0.442 9.731 -12.379 1.00 1.66 O ATOM 781 OD2 ASP A 139 1.717 10.960 -13.605 1.00 1.69 O ATOM 0 H ASP A 139 1.738 13.911 -12.239 1.00 0.75 H new ATOM 0 HA ASP A 139 -0.681 12.245 -11.717 1.00 0.78 H new ATOM 0 HB2 ASP A 139 2.340 12.156 -11.468 1.00 0.97 H new ATOM 0 HB3 ASP A 139 1.406 11.090 -10.438 1.00 0.97 H new ATOM 786 N GLY A 140 0.691 14.128 -9.426 1.00 0.64 N ATOM 787 CA GLY A 140 0.438 14.659 -8.053 1.00 0.62 C ATOM 788 C GLY A 140 -0.915 15.379 -8.040 1.00 0.57 C ATOM 789 O GLY A 140 -1.701 15.221 -7.126 1.00 0.65 O ATOM 0 H GLY A 140 1.458 14.577 -9.927 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.439 13.845 -7.328 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.233 15.346 -7.762 1.00 0.62 H new ATOM 793 N ASP A 141 -1.191 16.159 -9.059 1.00 0.56 N ATOM 794 CA ASP A 141 -2.492 16.887 -9.134 1.00 0.56 C ATOM 795 C ASP A 141 -3.162 16.628 -10.489 1.00 0.58 C ATOM 796 O ASP A 141 -3.084 17.439 -11.395 1.00 0.64 O ATOM 797 CB ASP A 141 -2.139 18.372 -8.995 1.00 0.60 C ATOM 798 CG ASP A 141 -3.364 19.168 -8.528 1.00 0.75 C ATOM 799 OD1 ASP A 141 -4.477 18.746 -8.803 1.00 1.14 O ATOM 800 OD2 ASP A 141 -3.168 20.192 -7.902 1.00 1.23 O ATOM 0 H ASP A 141 -0.564 16.322 -9.847 1.00 0.56 H new ATOM 0 HA ASP A 141 -3.186 16.561 -8.359 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -1.324 18.494 -8.282 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -1.787 18.760 -9.951 1.00 0.60 H new ATOM 805 N LYS A 142 -3.832 15.514 -10.635 1.00 0.62 N ATOM 806 CA LYS A 142 -4.516 15.227 -11.935 1.00 0.70 C ATOM 807 C LYS A 142 -5.657 16.232 -12.163 1.00 0.79 C ATOM 808 O LYS A 142 -6.084 16.449 -13.281 1.00 0.92 O ATOM 809 CB LYS A 142 -5.059 13.802 -11.813 1.00 0.79 C ATOM 810 CG LYS A 142 -4.019 12.815 -12.358 1.00 0.88 C ATOM 811 CD LYS A 142 -3.460 11.973 -11.206 1.00 1.37 C ATOM 812 CE LYS A 142 -2.646 10.803 -11.769 1.00 1.79 C ATOM 813 NZ LYS A 142 -1.897 10.251 -10.602 1.00 2.44 N1+ ATOM 0 H LYS A 142 -3.936 14.796 -9.918 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.837 15.318 -12.783 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -5.283 13.574 -10.771 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.993 13.708 -12.368 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -4.474 12.168 -13.108 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -3.212 13.356 -12.852 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -2.832 12.590 -10.563 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -4.276 11.597 -10.588 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -3.296 10.049 -12.213 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -1.965 11.137 -12.552 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -1.106 9.667 -10.942 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -1.527 11.033 -10.026 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -2.535 9.667 -10.024 1.00 2.44 H new ATOM 827 N ASN A 143 -6.138 16.860 -11.112 1.00 0.80 N ATOM 828 CA ASN A 143 -7.234 17.870 -11.265 1.00 0.95 C ATOM 829 C ASN A 143 -6.680 19.147 -11.910 1.00 0.92 C ATOM 830 O ASN A 143 -7.398 19.884 -12.558 1.00 1.08 O ATOM 831 CB ASN A 143 -7.717 18.179 -9.843 1.00 1.07 C ATOM 832 CG ASN A 143 -8.125 16.892 -9.125 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.771 16.037 -9.696 1.00 1.95 O ATOM 834 ND2 ASN A 143 -7.770 16.720 -7.883 1.00 1.70 N ATOM 0 H ASN A 143 -5.817 16.715 -10.155 1.00 0.80 H new ATOM 0 HA ASN A 143 -8.040 17.497 -11.897 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -6.926 18.679 -9.284 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -8.563 18.865 -9.881 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -8.035 15.867 -7.390 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -7.227 17.438 -7.404 1.00 1.70 H new ATOM 841 N ASN A 144 -5.403 19.409 -11.724 1.00 0.86 N ATOM 842 CA ASN A 144 -4.768 20.632 -12.309 1.00 0.93 C ATOM 843 C ASN A 144 -5.416 21.906 -11.741 1.00 1.03 C ATOM 844 O ASN A 144 -5.537 22.908 -12.423 1.00 1.71 O ATOM 845 CB ASN A 144 -4.991 20.516 -13.822 1.00 1.08 C ATOM 846 CG ASN A 144 -3.912 21.305 -14.567 1.00 1.49 C ATOM 847 OD1 ASN A 144 -2.897 20.759 -14.945 1.00 2.18 O ATOM 848 ND2 ASN A 144 -4.089 22.577 -14.798 1.00 1.97 N ATOM 0 H ASN A 144 -4.770 18.818 -11.185 1.00 0.86 H new ATOM 0 HA ASN A 144 -3.708 20.701 -12.067 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -4.962 19.469 -14.124 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -5.978 20.896 -14.084 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -3.375 23.109 -15.295 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -4.941 23.039 -14.481 1.00 1.97 H new ATOM 855 N ASP A 145 -5.816 21.883 -10.490 1.00 0.88 N ATOM 856 CA ASP A 145 -6.434 23.105 -9.881 1.00 0.92 C ATOM 857 C ASP A 145 -5.340 24.122 -9.500 1.00 0.91 C ATOM 858 O ASP A 145 -5.613 25.296 -9.339 1.00 1.07 O ATOM 859 CB ASP A 145 -7.222 22.635 -8.640 1.00 0.93 C ATOM 860 CG ASP A 145 -6.384 21.690 -7.774 1.00 1.40 C ATOM 861 OD1 ASP A 145 -5.543 22.176 -7.042 1.00 1.89 O ATOM 862 OD2 ASP A 145 -6.609 20.495 -7.850 1.00 2.06 O ATOM 0 H ASP A 145 -5.742 21.077 -9.869 1.00 0.88 H new ATOM 0 HA ASP A 145 -7.100 23.606 -10.583 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -7.525 23.500 -8.050 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -8.134 22.129 -8.956 1.00 0.93 H new ATOM 867 N GLY A 146 -4.103 23.684 -9.374 1.00 0.84 N ATOM 868 CA GLY A 146 -2.998 24.632 -9.029 1.00 0.92 C ATOM 869 C GLY A 146 -2.446 24.361 -7.620 1.00 0.66 C ATOM 870 O GLY A 146 -1.462 24.955 -7.221 1.00 0.74 O ATOM 0 H GLY A 146 -3.817 22.713 -9.496 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -2.195 24.539 -9.760 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -3.364 25.657 -9.087 1.00 0.92 H new ATOM 874 N ARG A 147 -3.060 23.486 -6.858 1.00 0.56 N ATOM 875 CA ARG A 147 -2.550 23.211 -5.477 1.00 0.54 C ATOM 876 C ARG A 147 -2.594 21.713 -5.157 1.00 0.46 C ATOM 877 O ARG A 147 -3.610 21.059 -5.315 1.00 0.45 O ATOM 878 CB ARG A 147 -3.498 23.981 -4.553 1.00 0.77 C ATOM 879 CG ARG A 147 -2.848 25.302 -4.135 1.00 1.39 C ATOM 880 CD ARG A 147 -2.668 25.329 -2.616 1.00 1.79 C ATOM 881 NE ARG A 147 -2.257 26.726 -2.299 1.00 2.55 N ATOM 882 CZ ARG A 147 -1.714 26.997 -1.148 1.00 2.87 C ATOM 883 NH1 ARG A 147 -2.452 27.051 -0.076 1.00 3.10 N ATOM 884 NH2 ARG A 147 -0.431 27.198 -1.068 1.00 3.37 N1+ ATOM 0 H ARG A 147 -3.886 22.954 -7.131 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.510 23.517 -5.361 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -4.442 24.174 -5.063 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -3.728 23.383 -3.672 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -1.882 25.415 -4.628 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -3.468 26.140 -4.453 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -3.594 25.065 -2.105 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -1.911 24.613 -2.296 1.00 1.79 H new ATOM 0 HE ARG A 147 -2.401 27.469 -2.983 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -3.456 26.881 -0.139 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -2.026 27.263 0.826 1.00 3.10 H new ATOM 0 HH21 ARG A 147 0.147 27.143 -1.907 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -0.003 27.411 -0.167 1.00 3.37 H new ATOM 898 N ILE A 148 -1.499 21.166 -4.693 1.00 0.49 N ATOM 899 CA ILE A 148 -1.476 19.713 -4.347 1.00 0.44 C ATOM 900 C ILE A 148 -1.939 19.517 -2.898 1.00 0.46 C ATOM 901 O ILE A 148 -1.618 20.300 -2.022 1.00 0.63 O ATOM 902 CB ILE A 148 -0.022 19.265 -4.541 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.400 19.514 -5.991 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.100 17.770 -4.253 1.00 0.47 C ATOM 905 CD1 ILE A 148 1.727 18.801 -6.267 1.00 0.63 C ATOM 0 H ILE A 148 -0.621 21.662 -4.539 1.00 0.49 H new ATOM 0 HA ILE A 148 -2.148 19.124 -4.972 1.00 0.44 H new ATOM 0 HB ILE A 148 0.616 19.829 -3.860 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.369 19.150 -6.672 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.505 20.584 -6.172 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.134 17.456 -4.392 1.00 0.47 H new ATOM 0 HG22 ILE A 148 -0.205 17.571 -3.225 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.543 17.214 -4.936 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.027 18.978 -7.300 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.494 19.186 -5.595 1.00 0.63 H new ATOM 0 HD13 ILE A 148 1.606 17.730 -6.103 1.00 0.63 H new ATOM 917 N ASP A 149 -2.710 18.490 -2.646 1.00 0.48 N ATOM 918 CA ASP A 149 -3.222 18.251 -1.261 1.00 0.53 C ATOM 919 C ASP A 149 -2.613 16.979 -0.658 1.00 0.53 C ATOM 920 O ASP A 149 -1.913 16.234 -1.319 1.00 0.63 O ATOM 921 CB ASP A 149 -4.741 18.092 -1.422 1.00 0.58 C ATOM 922 CG ASP A 149 -5.303 19.255 -2.247 1.00 1.05 C ATOM 923 OD1 ASP A 149 -5.551 20.299 -1.670 1.00 1.84 O ATOM 924 OD2 ASP A 149 -5.471 19.080 -3.443 1.00 1.65 O ATOM 0 H ASP A 149 -3.008 17.805 -3.340 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.958 19.067 -0.588 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.966 17.145 -1.912 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -5.218 18.065 -0.442 1.00 0.58 H new ATOM 929 N TYR A 150 -2.885 16.731 0.598 1.00 0.58 N ATOM 930 CA TYR A 150 -2.339 15.510 1.270 1.00 0.60 C ATOM 931 C TYR A 150 -3.022 14.246 0.730 1.00 0.59 C ATOM 932 O TYR A 150 -2.392 13.221 0.555 1.00 0.63 O ATOM 933 CB TYR A 150 -2.663 15.700 2.756 1.00 0.73 C ATOM 934 CG TYR A 150 -1.489 15.261 3.599 1.00 0.72 C ATOM 935 CD1 TYR A 150 -1.048 13.932 3.557 1.00 1.15 C ATOM 936 CD2 TYR A 150 -0.840 16.186 4.423 1.00 1.22 C ATOM 937 CE1 TYR A 150 0.041 13.532 4.341 1.00 1.43 C ATOM 938 CE2 TYR A 150 0.247 15.786 5.206 1.00 1.56 C ATOM 939 CZ TYR A 150 0.688 14.460 5.165 1.00 1.48 C ATOM 940 OH TYR A 150 1.762 14.068 5.935 1.00 1.96 O ATOM 0 H TYR A 150 -3.465 17.324 1.191 1.00 0.58 H new ATOM 0 HA TYR A 150 -1.270 15.388 1.093 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -2.894 16.746 2.956 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -3.548 15.122 3.021 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -1.548 13.217 2.921 1.00 1.15 H new ATOM 0 HD2 TYR A 150 -1.179 17.211 4.455 1.00 1.22 H new ATOM 0 HE1 TYR A 150 0.382 12.508 4.310 1.00 1.43 H new ATOM 0 HE2 TYR A 150 0.746 16.502 5.843 1.00 1.56 H new ATOM 0 HH TYR A 150 2.095 14.835 6.447 1.00 1.96 H new ATOM 950 N ASP A 151 -4.304 14.317 0.472 1.00 0.64 N ATOM 951 CA ASP A 151 -5.045 13.127 -0.050 1.00 0.70 C ATOM 952 C ASP A 151 -4.517 12.715 -1.434 1.00 0.63 C ATOM 953 O ASP A 151 -4.317 11.545 -1.701 1.00 0.77 O ATOM 954 CB ASP A 151 -6.505 13.585 -0.135 1.00 0.79 C ATOM 955 CG ASP A 151 -7.067 13.769 1.278 1.00 1.24 C ATOM 956 OD1 ASP A 151 -7.550 12.797 1.834 1.00 1.83 O ATOM 957 OD2 ASP A 151 -7.002 14.879 1.779 1.00 1.90 O ATOM 0 H ASP A 151 -4.873 15.154 0.601 1.00 0.64 H new ATOM 0 HA ASP A 151 -4.925 12.254 0.591 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.572 14.521 -0.689 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -7.097 12.849 -0.680 1.00 0.79 H new ATOM 962 N GLU A 152 -4.281 13.662 -2.312 1.00 0.54 N ATOM 963 CA GLU A 152 -3.762 13.307 -3.670 1.00 0.56 C ATOM 964 C GLU A 152 -2.286 12.869 -3.594 1.00 0.52 C ATOM 965 O GLU A 152 -1.786 12.217 -4.492 1.00 0.65 O ATOM 966 CB GLU A 152 -3.918 14.580 -4.511 1.00 0.60 C ATOM 967 CG GLU A 152 -5.291 14.566 -5.195 1.00 0.77 C ATOM 968 CD GLU A 152 -5.609 15.950 -5.764 1.00 0.72 C ATOM 969 OE1 GLU A 152 -5.145 16.245 -6.852 1.00 1.17 O ATOM 970 OE2 GLU A 152 -6.312 16.693 -5.104 1.00 1.40 O ATOM 0 H GLU A 152 -4.424 14.658 -2.148 1.00 0.54 H new ATOM 0 HA GLU A 152 -4.306 12.470 -4.107 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.822 15.462 -3.878 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -3.126 14.636 -5.258 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -5.300 13.825 -5.994 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -6.059 14.273 -4.480 1.00 0.77 H new ATOM 977 N PHE A 153 -1.589 13.210 -2.530 1.00 0.46 N ATOM 978 CA PHE A 153 -0.151 12.800 -2.401 1.00 0.46 C ATOM 979 C PHE A 153 -0.031 11.271 -2.354 1.00 0.50 C ATOM 980 O PHE A 153 0.743 10.683 -3.081 1.00 0.64 O ATOM 981 CB PHE A 153 0.339 13.413 -1.084 1.00 0.49 C ATOM 982 CG PHE A 153 1.827 13.189 -0.948 1.00 0.48 C ATOM 983 CD1 PHE A 153 2.727 14.046 -1.591 1.00 0.52 C ATOM 984 CD2 PHE A 153 2.304 12.119 -0.182 1.00 0.62 C ATOM 985 CE1 PHE A 153 4.105 13.832 -1.466 1.00 0.61 C ATOM 986 CE2 PHE A 153 3.680 11.906 -0.057 1.00 0.73 C ATOM 987 CZ PHE A 153 4.581 12.761 -0.699 1.00 0.68 C ATOM 0 H PHE A 153 -1.954 13.753 -1.748 1.00 0.46 H new ATOM 0 HA PHE A 153 0.441 13.142 -3.250 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.117 14.480 -1.062 1.00 0.49 H new ATOM 0 HB3 PHE A 153 -0.186 12.961 -0.242 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.359 14.871 -2.183 1.00 0.52 H new ATOM 0 HD2 PHE A 153 1.608 11.457 0.313 1.00 0.62 H new ATOM 0 HE1 PHE A 153 4.801 14.493 -1.961 1.00 0.61 H new ATOM 0 HE2 PHE A 153 4.047 11.081 0.535 1.00 0.73 H new ATOM 0 HZ PHE A 153 5.644 12.596 -0.603 1.00 0.68 H new ATOM 997 N LEU A 154 -0.789 10.624 -1.506 1.00 0.53 N ATOM 998 CA LEU A 154 -0.710 9.129 -1.417 1.00 0.62 C ATOM 999 C LEU A 154 -1.139 8.488 -2.746 1.00 0.65 C ATOM 1000 O LEU A 154 -0.569 7.503 -3.174 1.00 0.83 O ATOM 1001 CB LEU A 154 -1.665 8.741 -0.282 1.00 0.75 C ATOM 1002 CG LEU A 154 -1.194 9.379 1.030 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -2.053 8.863 2.184 1.00 1.65 C ATOM 1004 CD2 LEU A 154 0.273 9.019 1.285 1.00 1.20 C ATOM 0 H LEU A 154 -1.458 11.062 -0.872 1.00 0.53 H new ATOM 0 HA LEU A 154 0.305 8.782 -1.221 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -2.677 9.072 -0.516 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -1.700 7.657 -0.178 1.00 0.75 H new ATOM 0 HG LEU A 154 -1.291 10.462 0.958 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -1.719 9.316 3.117 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -3.096 9.125 2.007 1.00 1.65 H new ATOM 0 HD13 LEU A 154 -1.958 7.779 2.252 1.00 1.65 H new ATOM 0 HD21 LEU A 154 0.603 9.475 2.219 1.00 1.20 H new ATOM 0 HD22 LEU A 154 0.375 7.936 1.354 1.00 1.20 H new ATOM 0 HD23 LEU A 154 0.887 9.390 0.464 1.00 1.20 H new ATOM 1016 N GLU A 155 -2.124 9.049 -3.408 1.00 0.69 N ATOM 1017 CA GLU A 155 -2.572 8.480 -4.721 1.00 0.81 C ATOM 1018 C GLU A 155 -1.465 8.638 -5.774 1.00 0.76 C ATOM 1019 O GLU A 155 -1.289 7.793 -6.631 1.00 0.90 O ATOM 1020 CB GLU A 155 -3.801 9.304 -5.123 1.00 0.97 C ATOM 1021 CG GLU A 155 -4.471 8.668 -6.349 1.00 1.41 C ATOM 1022 CD GLU A 155 -4.220 9.534 -7.587 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -4.969 10.475 -7.791 1.00 2.77 O ATOM 1024 OE2 GLU A 155 -3.288 9.238 -8.315 1.00 2.57 O ATOM 0 H GLU A 155 -2.636 9.874 -3.097 1.00 0.69 H new ATOM 0 HA GLU A 155 -2.799 7.417 -4.646 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -4.507 9.350 -4.294 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -3.506 10.329 -5.348 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -4.077 7.665 -6.510 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -5.542 8.566 -6.177 1.00 1.41 H new ATOM 1031 N PHE A 156 -0.719 9.715 -5.710 1.00 0.66 N ATOM 1032 CA PHE A 156 0.376 9.943 -6.700 1.00 0.77 C ATOM 1033 C PHE A 156 1.630 9.156 -6.298 1.00 0.71 C ATOM 1034 O PHE A 156 2.292 8.569 -7.133 1.00 0.88 O ATOM 1035 CB PHE A 156 0.627 11.458 -6.654 1.00 0.84 C ATOM 1036 CG PHE A 156 1.963 11.811 -7.280 1.00 1.01 C ATOM 1037 CD1 PHE A 156 2.405 11.152 -8.433 1.00 1.49 C ATOM 1038 CD2 PHE A 156 2.751 12.816 -6.709 1.00 1.09 C ATOM 1039 CE1 PHE A 156 3.633 11.497 -9.011 1.00 1.72 C ATOM 1040 CE2 PHE A 156 3.979 13.160 -7.284 1.00 1.31 C ATOM 1041 CZ PHE A 156 4.420 12.501 -8.435 1.00 1.53 C ATOM 0 H PHE A 156 -0.824 10.449 -5.010 1.00 0.66 H new ATOM 0 HA PHE A 156 0.116 9.606 -7.703 1.00 0.77 H new ATOM 0 HB2 PHE A 156 -0.173 11.978 -7.180 1.00 0.84 H new ATOM 0 HB3 PHE A 156 0.604 11.802 -5.620 1.00 0.84 H new ATOM 0 HD1 PHE A 156 1.798 10.377 -8.877 1.00 1.49 H new ATOM 0 HD2 PHE A 156 2.410 13.328 -5.821 1.00 1.09 H new ATOM 0 HE1 PHE A 156 3.973 10.988 -9.901 1.00 1.72 H new ATOM 0 HE2 PHE A 156 4.586 13.934 -6.839 1.00 1.31 H new ATOM 0 HZ PHE A 156 5.368 12.766 -8.880 1.00 1.53 H new ATOM 1051 N MET A 157 1.958 9.138 -5.030 1.00 0.61 N ATOM 1052 CA MET A 157 3.172 8.393 -4.577 1.00 0.69 C ATOM 1053 C MET A 157 3.089 6.907 -4.954 1.00 0.83 C ATOM 1054 O MET A 157 4.103 6.256 -5.105 1.00 1.17 O ATOM 1055 CB MET A 157 3.204 8.569 -3.062 1.00 0.84 C ATOM 1056 CG MET A 157 4.383 9.460 -2.679 1.00 0.92 C ATOM 1057 SD MET A 157 5.923 8.735 -3.305 1.00 1.56 S ATOM 1058 CE MET A 157 6.864 8.790 -1.761 1.00 0.90 C ATOM 0 H MET A 157 1.437 9.607 -4.289 1.00 0.61 H new ATOM 0 HA MET A 157 4.077 8.772 -5.053 1.00 0.69 H new ATOM 0 HB2 MET A 157 2.271 9.014 -2.717 1.00 0.84 H new ATOM 0 HB3 MET A 157 3.294 7.598 -2.574 1.00 0.84 H new ATOM 0 HG2 MET A 157 4.246 10.459 -3.092 1.00 0.92 H new ATOM 0 HG3 MET A 157 4.434 9.567 -1.595 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.605 9.587 -1.815 1.00 0.90 H new ATOM 0 HE2 MET A 157 6.187 8.980 -0.929 1.00 0.90 H new ATOM 0 HE3 MET A 157 7.368 7.836 -1.608 1.00 0.90 H new ATOM 1068 N LYS A 158 1.899 6.367 -5.121 1.00 0.86 N ATOM 1069 CA LYS A 158 1.778 4.924 -5.510 1.00 1.07 C ATOM 1070 C LYS A 158 2.269 4.748 -6.957 1.00 1.36 C ATOM 1071 O LYS A 158 1.493 4.613 -7.885 1.00 1.73 O ATOM 1072 CB LYS A 158 0.284 4.586 -5.379 1.00 1.28 C ATOM 1073 CG LYS A 158 0.093 3.501 -4.313 1.00 1.66 C ATOM 1074 CD LYS A 158 -0.280 4.150 -2.975 1.00 2.24 C ATOM 1075 CE LYS A 158 0.950 4.211 -2.063 1.00 2.85 C ATOM 1076 NZ LYS A 158 0.441 4.757 -0.771 1.00 3.52 N1+ ATOM 0 H LYS A 158 1.014 6.861 -5.005 1.00 0.86 H new ATOM 0 HA LYS A 158 2.379 4.264 -4.884 1.00 1.07 H new ATOM 0 HB2 LYS A 158 -0.279 5.479 -5.108 1.00 1.28 H new ATOM 0 HB3 LYS A 158 -0.107 4.242 -6.337 1.00 1.28 H new ATOM 0 HG2 LYS A 158 -0.689 2.808 -4.622 1.00 1.66 H new ATOM 0 HG3 LYS A 158 1.009 2.920 -4.204 1.00 1.66 H new ATOM 0 HD2 LYS A 158 -0.668 5.154 -3.144 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -1.073 3.579 -2.493 1.00 2.24 H new ATOM 0 HE2 LYS A 158 1.392 3.224 -1.928 1.00 2.85 H new ATOM 0 HE3 LYS A 158 1.724 4.852 -2.485 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 1.243 4.973 -0.145 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -0.101 5.626 -0.951 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -0.174 4.053 -0.315 1.00 3.52 H new ATOM 1090 N GLY A 159 3.564 4.775 -7.143 1.00 1.73 N ATOM 1091 CA GLY A 159 4.155 4.642 -8.509 1.00 2.35 C ATOM 1092 C GLY A 159 5.448 5.469 -8.579 1.00 2.13 C ATOM 1093 O GLY A 159 6.349 5.158 -9.333 1.00 2.59 O ATOM 0 H GLY A 159 4.248 4.885 -6.394 1.00 1.73 H new ATOM 0 HA2 GLY A 159 4.366 3.595 -8.727 1.00 2.35 H new ATOM 0 HA3 GLY A 159 3.446 4.988 -9.261 1.00 2.35 H new ATOM 1097 N VAL A 160 5.545 6.516 -7.787 1.00 1.87 N ATOM 1098 CA VAL A 160 6.782 7.364 -7.789 1.00 1.87 C ATOM 1099 C VAL A 160 7.950 6.564 -7.195 1.00 2.39 C ATOM 1100 O VAL A 160 9.010 6.475 -7.784 1.00 3.11 O ATOM 1101 CB VAL A 160 6.457 8.577 -6.899 1.00 1.68 C ATOM 1102 CG1 VAL A 160 7.609 9.587 -6.955 1.00 1.89 C ATOM 1103 CG2 VAL A 160 5.173 9.257 -7.386 1.00 1.76 C ATOM 0 H VAL A 160 4.818 6.819 -7.139 1.00 1.87 H new ATOM 0 HA VAL A 160 7.068 7.674 -8.794 1.00 1.87 H new ATOM 0 HB VAL A 160 6.320 8.231 -5.874 1.00 1.68 H new ATOM 0 HG11 VAL A 160 7.373 10.443 -6.323 1.00 1.89 H new ATOM 0 HG12 VAL A 160 8.525 9.115 -6.599 1.00 1.89 H new ATOM 0 HG13 VAL A 160 7.749 9.922 -7.983 1.00 1.89 H new ATOM 0 HG21 VAL A 160 4.951 10.114 -6.750 1.00 1.76 H new ATOM 0 HG22 VAL A 160 5.307 9.593 -8.414 1.00 1.76 H new ATOM 0 HG23 VAL A 160 4.346 8.548 -7.341 1.00 1.76 H new ATOM 1113 N GLU A 161 7.743 5.976 -6.034 1.00 2.52 N ATOM 1114 CA GLU A 161 8.808 5.158 -5.364 1.00 3.28 C ATOM 1115 C GLU A 161 10.119 5.956 -5.232 1.00 3.90 C ATOM 1116 O GLU A 161 11.035 5.712 -6.002 1.00 4.34 O ATOM 1117 CB GLU A 161 8.980 3.921 -6.259 1.00 3.49 C ATOM 1118 CG GLU A 161 8.164 2.754 -5.690 1.00 4.11 C ATOM 1119 CD GLU A 161 6.667 3.032 -5.859 1.00 4.29 C ATOM 1120 OE1 GLU A 161 6.134 2.687 -6.900 1.00 4.56 O ATOM 1121 OE2 GLU A 161 6.078 3.581 -4.942 1.00 4.60 O ATOM 1122 OXT GLU A 161 10.183 6.796 -4.351 1.00 4.37 O ATOM 0 H GLU A 161 6.866 6.031 -5.516 1.00 2.52 H new ATOM 0 HA GLU A 161 8.535 4.880 -4.346 1.00 3.28 H new ATOM 0 HB2 GLU A 161 8.652 4.146 -7.274 1.00 3.49 H new ATOM 0 HB3 GLU A 161 10.033 3.646 -6.318 1.00 3.49 H new ATOM 0 HG2 GLU A 161 8.431 1.829 -6.201 1.00 4.11 H new ATOM 0 HG3 GLU A 161 8.400 2.614 -4.635 1.00 4.11 H new TER 1129 GLU A 161 HETATM 1130 CA CA A 1 3.198 25.097 -0.266 1.00 0.75 CA HETATM 1131 CA CA A 2 -5.209 18.989 -6.136 1.00 0.00 CA HETATM 1132 C1 STL A 162 12.390 10.268 -2.560 1.00 20.00 C HETATM 1133 C2 STL A 162 12.828 9.193 -3.354 1.00 20.00 C HETATM 1134 C3 STL A 162 12.412 9.088 -4.690 1.00 20.00 C HETATM 1135 C4 STL A 162 11.552 10.060 -5.238 1.00 20.00 C HETATM 1136 C5 STL A 162 11.101 11.130 -4.452 1.00 20.00 C HETATM 1137 C6 STL A 162 11.528 11.242 -3.115 1.00 20.00 C HETATM 1138 C7 STL A 162 10.212 12.083 -4.932 1.00 20.00 C HETATM 1139 C8 STL A 162 9.203 12.693 -4.168 1.00 20.00 C HETATM 1140 C9 STL A 162 8.273 13.649 -4.563 1.00 20.00 C HETATM 1141 C10 STL A 162 8.027 13.996 -5.914 1.00 20.00 C HETATM 1142 C11 STL A 162 7.045 14.972 -6.218 1.00 20.00 C HETATM 1143 C12 STL A 162 6.342 15.572 -5.147 1.00 20.00 C HETATM 1144 C13 STL A 162 6.586 15.230 -3.797 1.00 20.00 C HETATM 1145 C14 STL A 162 7.559 14.263 -3.507 1.00 20.00 C HETATM 1146 O1 STL A 162 5.403 16.508 -5.426 1.00 20.00 O HETATM 1147 O2 STL A 162 12.827 8.052 -5.463 1.00 20.00 O HETATM 1148 O3 STL A 162 12.788 10.375 -1.271 1.00 20.00 O HETATM 0 HO3 STL A 162 12.392 11.178 -0.872 1.00 20.00 H new HETATM 0 HO2 STL A 162 12.067 7.464 -5.657 1.00 20.00 H new HETATM 0 HO1 STL A 162 5.003 16.829 -4.591 1.00 20.00 H new HETATM 0 H8 STL A 162 9.141 12.375 -3.127 1.00 20.00 H new HETATM 0 H7 STL A 162 10.304 12.379 -5.977 1.00 20.00 H new HETATM 0 H6 STL A 162 11.193 12.082 -2.506 1.00 20.00 H new HETATM 0 H4 STL A 162 11.236 9.980 -6.278 1.00 20.00 H new HETATM 0 H2 STL A 162 13.492 8.440 -2.931 1.00 20.00 H new HETATM 0 H14 STL A 162 7.764 13.986 -2.473 1.00 20.00 H new HETATM 0 H13 STL A 162 6.027 15.710 -2.994 1.00 20.00 H new HETATM 0 H11 STL A 162 6.837 15.253 -7.250 1.00 20.00 H new HETATM 0 H10 STL A 162 8.589 13.516 -6.715 1.00 20.00 H new