USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 634 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -155:sc= 0.286 (180deg=-0.0604) USER MOD Single : A 5 LYS NZ :NH3+ -112:sc= -0.465 (180deg=-2.82!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -172:sc= -0.532 (180deg=-0.613) USER MOD Single : A 24 GLN : amide:sc= 0.284 K(o=0.28,f=-0.53) USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0428) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0.366 K(o=0.37,f=-3.9!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 45 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00828) USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= 1.04 (180deg=0.716) USER MOD Single : A 50 MET CE :methyl -102:sc=-0.00406 (180deg=-0.88) USER MOD Single : A 52 LYS NZ :NH3+ 172:sc= -0.0023 (180deg=-0.0723) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -109:sc= -1.24 (180deg=-4.35!) USER MOD Single : A 60 ASN : amide:sc= -0.182 K(o=-0.18,f=-2.1!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -173:sc= 0.237 (180deg=0.227) USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.00329 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 74 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-0.026) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.185 13.109 -3.655 1.00 0.00 N ATOM 2 CA MET A 1 0.628 13.088 -5.080 1.00 52.33 C ATOM 3 C MET A 1 1.652 11.989 -5.357 1.00 70.33 C ATOM 4 O MET A 1 1.914 11.670 -6.525 1.00 14.12 O ATOM 5 CB MET A 1 1.197 14.459 -5.509 1.00 24.23 C ATOM 6 CG MET A 1 2.427 14.972 -4.735 1.00 60.33 C ATOM 7 SD MET A 1 2.945 16.606 -5.329 1.00 2.21 S ATOM 8 CE MET A 1 4.376 16.946 -4.299 1.00 51.13 C ATOM 0 H1 MET A 1 -0.760 13.538 -3.592 1.00 0.00 H new ATOM 0 H2 MET A 1 0.150 12.137 -3.288 1.00 0.00 H new ATOM 0 H3 MET A 1 0.857 13.668 -3.091 1.00 0.00 H new ATOM 0 HA MET A 1 -0.260 12.870 -5.674 1.00 52.33 H new ATOM 0 HB2 MET A 1 1.459 14.403 -6.565 1.00 24.23 H new ATOM 0 HB3 MET A 1 0.403 15.201 -5.417 1.00 24.23 H new ATOM 0 HG2 MET A 1 2.194 15.026 -3.672 1.00 60.33 H new ATOM 0 HG3 MET A 1 3.249 14.265 -4.845 1.00 60.33 H new ATOM 0 HE1 MET A 1 4.790 17.920 -4.561 1.00 51.13 H new ATOM 0 HE2 MET A 1 4.077 16.949 -3.251 1.00 51.13 H new ATOM 0 HE3 MET A 1 5.131 16.176 -4.459 1.00 51.13 H new ATOM 20 N VAL A 2 2.244 11.431 -4.297 1.00 33.42 N ATOM 21 CA VAL A 2 3.336 10.464 -4.417 1.00 55.22 C ATOM 22 C VAL A 2 2.754 9.056 -4.596 1.00 42.31 C ATOM 23 O VAL A 2 2.077 8.546 -3.707 1.00 53.14 O ATOM 24 CB VAL A 2 4.270 10.537 -3.154 1.00 51.40 C ATOM 25 CG1 VAL A 2 5.470 9.575 -3.285 1.00 32.52 C ATOM 26 CG2 VAL A 2 4.736 11.996 -2.918 1.00 62.42 C ATOM 0 H VAL A 2 1.979 11.637 -3.334 1.00 33.42 H new ATOM 0 HA VAL A 2 3.941 10.704 -5.291 1.00 55.22 H new ATOM 0 HB VAL A 2 3.697 10.216 -2.284 1.00 51.40 H new ATOM 0 HG11 VAL A 2 6.095 9.650 -2.395 1.00 32.52 H new ATOM 0 HG12 VAL A 2 5.107 8.552 -3.388 1.00 32.52 H new ATOM 0 HG13 VAL A 2 6.056 9.842 -4.164 1.00 32.52 H new ATOM 0 HG21 VAL A 2 5.382 12.034 -2.041 1.00 62.42 H new ATOM 0 HG22 VAL A 2 5.287 12.348 -3.790 1.00 62.42 H new ATOM 0 HG23 VAL A 2 3.867 12.634 -2.757 1.00 62.42 H new ATOM 36 N ASP A 3 3.004 8.450 -5.761 1.00 43.43 N ATOM 37 CA ASP A 3 2.433 7.145 -6.116 1.00 63.11 C ATOM 38 C ASP A 3 3.212 6.001 -5.438 1.00 11.35 C ATOM 39 O ASP A 3 4.439 5.881 -5.600 1.00 4.23 O ATOM 40 CB ASP A 3 2.433 6.954 -7.649 1.00 74.45 C ATOM 41 CG ASP A 3 1.961 5.548 -8.103 1.00 14.32 C ATOM 42 OD1 ASP A 3 0.742 5.353 -8.311 1.00 3.12 O ATOM 43 OD2 ASP A 3 2.809 4.635 -8.274 1.00 12.52 O ATOM 0 H ASP A 3 3.605 8.848 -6.483 1.00 43.43 H new ATOM 0 HA ASP A 3 1.404 7.118 -5.759 1.00 63.11 H new ATOM 0 HB2 ASP A 3 1.787 7.707 -8.100 1.00 74.45 H new ATOM 0 HB3 ASP A 3 3.440 7.129 -8.028 1.00 74.45 H new ATOM 48 N LEU A 4 2.479 5.179 -4.683 1.00 5.45 N ATOM 49 CA LEU A 4 2.955 3.889 -4.185 1.00 20.31 C ATOM 50 C LEU A 4 2.082 2.818 -4.832 1.00 20.31 C ATOM 51 O LEU A 4 0.897 2.720 -4.518 1.00 62.50 O ATOM 52 CB LEU A 4 2.827 3.828 -2.638 1.00 3.40 C ATOM 53 CG LEU A 4 3.630 4.898 -1.843 1.00 4.41 C ATOM 54 CD1 LEU A 4 3.277 4.848 -0.352 1.00 14.41 C ATOM 55 CD2 LEU A 4 5.144 4.728 -2.052 1.00 73.31 C ATOM 0 H LEU A 4 1.524 5.395 -4.397 1.00 5.45 H new ATOM 0 HA LEU A 4 4.006 3.738 -4.433 1.00 20.31 H new ATOM 0 HB2 LEU A 4 1.773 3.925 -2.377 1.00 3.40 H new ATOM 0 HB3 LEU A 4 3.148 2.841 -2.306 1.00 3.40 H new ATOM 0 HG LEU A 4 3.349 5.878 -2.228 1.00 4.41 H new ATOM 0 HD11 LEU A 4 3.851 5.605 0.183 1.00 14.41 H new ATOM 0 HD12 LEU A 4 2.212 5.042 -0.224 1.00 14.41 H new ATOM 0 HD13 LEU A 4 3.517 3.862 0.046 1.00 14.41 H new ATOM 0 HD21 LEU A 4 5.678 5.490 -1.484 1.00 73.31 H new ATOM 0 HD22 LEU A 4 5.450 3.739 -1.709 1.00 73.31 H new ATOM 0 HD23 LEU A 4 5.379 4.834 -3.111 1.00 73.31 H new ATOM 67 N LYS A 5 2.647 2.028 -5.748 1.00 14.12 N ATOM 68 CA LYS A 5 1.901 0.987 -6.465 1.00 4.32 C ATOM 69 C LYS A 5 2.544 -0.368 -6.166 1.00 40.04 C ATOM 70 O LYS A 5 3.611 -0.684 -6.671 1.00 21.24 O ATOM 71 CB LYS A 5 1.906 1.306 -7.982 1.00 0.11 C ATOM 72 CG LYS A 5 0.965 0.424 -8.826 1.00 13.04 C ATOM 73 CD LYS A 5 0.904 0.832 -10.321 1.00 65.24 C ATOM 74 CE LYS A 5 0.305 2.229 -10.584 1.00 25.22 C ATOM 75 NZ LYS A 5 1.250 3.346 -10.308 1.00 25.12 N ATOM 0 H LYS A 5 3.630 2.090 -6.014 1.00 14.12 H new ATOM 0 HA LYS A 5 0.862 0.955 -6.137 1.00 4.32 H new ATOM 0 HB2 LYS A 5 1.626 2.350 -8.121 1.00 0.11 H new ATOM 0 HB3 LYS A 5 2.922 1.195 -8.360 1.00 0.11 H new ATOM 0 HG2 LYS A 5 1.292 -0.613 -8.754 1.00 13.04 H new ATOM 0 HG3 LYS A 5 -0.039 0.471 -8.404 1.00 13.04 H new ATOM 0 HD2 LYS A 5 1.912 0.800 -10.734 1.00 65.24 H new ATOM 0 HD3 LYS A 5 0.315 0.091 -10.862 1.00 65.24 H new ATOM 0 HE2 LYS A 5 -0.018 2.286 -11.623 1.00 25.22 H new ATOM 0 HE3 LYS A 5 -0.584 2.356 -9.966 1.00 25.22 H new ATOM 0 HZ1 LYS A 5 0.919 3.885 -9.482 1.00 25.12 H new ATOM 0 HZ2 LYS A 5 2.196 2.960 -10.113 1.00 25.12 H new ATOM 0 HZ3 LYS A 5 1.296 3.974 -11.135 1.00 25.12 H new ATOM 89 N ILE A 6 1.859 -1.180 -5.357 1.00 44.14 N ATOM 90 CA ILE A 6 2.446 -2.369 -4.722 1.00 30.12 C ATOM 91 C ILE A 6 1.988 -3.621 -5.472 1.00 71.01 C ATOM 92 O ILE A 6 0.789 -3.879 -5.565 1.00 2.04 O ATOM 93 CB ILE A 6 2.035 -2.497 -3.191 1.00 3.33 C ATOM 94 CG1 ILE A 6 2.559 -1.284 -2.336 1.00 22.24 C ATOM 95 CG2 ILE A 6 2.534 -3.841 -2.594 1.00 4.25 C ATOM 96 CD1 ILE A 6 1.752 0.001 -2.453 1.00 52.23 C ATOM 0 H ILE A 6 0.878 -1.033 -5.121 1.00 44.14 H new ATOM 0 HA ILE A 6 3.530 -2.267 -4.768 1.00 30.12 H new ATOM 0 HB ILE A 6 0.946 -2.480 -3.149 1.00 3.33 H new ATOM 0 HG12 ILE A 6 2.581 -1.584 -1.288 1.00 22.24 H new ATOM 0 HG13 ILE A 6 3.588 -1.074 -2.629 1.00 22.24 H new ATOM 0 HG21 ILE A 6 2.241 -3.905 -1.546 1.00 4.25 H new ATOM 0 HG22 ILE A 6 2.092 -4.671 -3.146 1.00 4.25 H new ATOM 0 HG23 ILE A 6 3.620 -3.892 -2.670 1.00 4.25 H new ATOM 0 HD11 ILE A 6 2.200 0.770 -1.824 1.00 52.23 H new ATOM 0 HD12 ILE A 6 1.750 0.336 -3.490 1.00 52.23 H new ATOM 0 HD13 ILE A 6 0.728 -0.182 -2.129 1.00 52.23 H new ATOM 108 N ASP A 7 2.950 -4.389 -5.998 1.00 63.31 N ATOM 109 CA ASP A 7 2.683 -5.716 -6.556 1.00 43.43 C ATOM 110 C ASP A 7 2.286 -6.654 -5.402 1.00 42.33 C ATOM 111 O ASP A 7 3.016 -6.748 -4.409 1.00 70.24 O ATOM 112 CB ASP A 7 3.939 -6.261 -7.285 1.00 23.43 C ATOM 113 CG ASP A 7 3.730 -7.672 -7.881 1.00 10.10 C ATOM 114 OD1 ASP A 7 3.208 -7.777 -9.006 1.00 40.03 O ATOM 115 OD2 ASP A 7 4.086 -8.679 -7.223 1.00 63.21 O ATOM 0 H ASP A 7 3.929 -4.108 -6.048 1.00 63.31 H new ATOM 0 HA ASP A 7 1.874 -5.656 -7.284 1.00 43.43 H new ATOM 0 HB2 ASP A 7 4.215 -5.573 -8.084 1.00 23.43 H new ATOM 0 HB3 ASP A 7 4.774 -6.289 -6.585 1.00 23.43 H new ATOM 120 N VAL A 8 1.135 -7.335 -5.537 1.00 65.04 N ATOM 121 CA VAL A 8 0.605 -8.277 -4.531 1.00 34.32 C ATOM 122 C VAL A 8 0.421 -9.650 -5.201 1.00 1.11 C ATOM 123 O VAL A 8 -0.186 -9.760 -6.280 1.00 43.42 O ATOM 124 CB VAL A 8 -0.748 -7.784 -3.859 1.00 74.54 C ATOM 125 CG1 VAL A 8 -0.504 -6.550 -2.958 1.00 41.43 C ATOM 126 CG2 VAL A 8 -1.848 -7.487 -4.907 1.00 44.35 C ATOM 0 H VAL A 8 0.537 -7.247 -6.359 1.00 65.04 H new ATOM 0 HA VAL A 8 1.325 -8.343 -3.715 1.00 34.32 H new ATOM 0 HB VAL A 8 -1.108 -8.602 -3.235 1.00 74.54 H new ATOM 0 HG11 VAL A 8 -1.446 -6.234 -2.511 1.00 41.43 H new ATOM 0 HG12 VAL A 8 0.203 -6.809 -2.170 1.00 41.43 H new ATOM 0 HG13 VAL A 8 -0.096 -5.736 -3.558 1.00 41.43 H new ATOM 0 HG21 VAL A 8 -2.753 -7.153 -4.400 1.00 44.35 H new ATOM 0 HG22 VAL A 8 -1.503 -6.706 -5.585 1.00 44.35 H new ATOM 0 HG23 VAL A 8 -2.063 -8.392 -5.475 1.00 44.35 H new ATOM 136 N SER A 9 0.993 -10.682 -4.569 1.00 0.42 N ATOM 137 CA SER A 9 1.010 -12.063 -5.074 1.00 13.52 C ATOM 138 C SER A 9 -0.309 -12.778 -4.751 1.00 43.25 C ATOM 139 O SER A 9 -0.698 -13.734 -5.439 1.00 30.00 O ATOM 140 CB SER A 9 2.200 -12.826 -4.442 1.00 61.23 C ATOM 141 OG SER A 9 2.325 -14.135 -4.967 1.00 1.41 O ATOM 0 H SER A 9 1.468 -10.579 -3.672 1.00 0.42 H new ATOM 0 HA SER A 9 1.125 -12.041 -6.158 1.00 13.52 H new ATOM 0 HB2 SER A 9 3.122 -12.273 -4.621 1.00 61.23 H new ATOM 0 HB3 SER A 9 2.065 -12.879 -3.362 1.00 61.23 H new ATOM 0 HG SER A 9 3.087 -14.585 -4.546 1.00 1.41 H new ATOM 147 N ASP A 10 -1.004 -12.291 -3.709 1.00 50.44 N ATOM 148 CA ASP A 10 -2.225 -12.917 -3.186 1.00 41.22 C ATOM 149 C ASP A 10 -3.359 -11.882 -3.043 1.00 2.42 C ATOM 150 O ASP A 10 -3.116 -10.672 -2.913 1.00 62.23 O ATOM 151 CB ASP A 10 -1.902 -13.605 -1.833 1.00 20.30 C ATOM 152 CG ASP A 10 -3.101 -14.325 -1.204 1.00 3.12 C ATOM 153 OD1 ASP A 10 -3.470 -15.415 -1.683 1.00 45.32 O ATOM 154 OD2 ASP A 10 -3.692 -13.796 -0.240 1.00 13.31 O ATOM 0 H ASP A 10 -0.731 -11.447 -3.205 1.00 50.44 H new ATOM 0 HA ASP A 10 -2.576 -13.673 -3.889 1.00 41.22 H new ATOM 0 HB2 ASP A 10 -1.097 -14.324 -1.985 1.00 20.30 H new ATOM 0 HB3 ASP A 10 -1.532 -12.855 -1.134 1.00 20.30 H new ATOM 159 N ASP A 11 -4.599 -12.400 -3.043 1.00 72.23 N ATOM 160 CA ASP A 11 -5.833 -11.603 -3.009 1.00 70.33 C ATOM 161 C ASP A 11 -6.105 -11.107 -1.572 1.00 1.54 C ATOM 162 O ASP A 11 -6.317 -9.917 -1.344 1.00 30.14 O ATOM 163 CB ASP A 11 -7.000 -12.473 -3.541 1.00 12.02 C ATOM 164 CG ASP A 11 -8.324 -11.704 -3.707 1.00 0.40 C ATOM 165 OD1 ASP A 11 -8.558 -11.119 -4.784 1.00 30.30 O ATOM 166 OD2 ASP A 11 -9.134 -11.687 -2.762 1.00 73.21 O ATOM 0 H ASP A 11 -4.773 -13.405 -3.067 1.00 72.23 H new ATOM 0 HA ASP A 11 -5.732 -10.723 -3.644 1.00 70.33 H new ATOM 0 HB2 ASP A 11 -6.715 -12.898 -4.503 1.00 12.02 H new ATOM 0 HB3 ASP A 11 -7.159 -13.308 -2.858 1.00 12.02 H new ATOM 171 N GLU A 12 -6.074 -12.035 -0.597 1.00 24.21 N ATOM 172 CA GLU A 12 -6.302 -11.698 0.830 1.00 55.01 C ATOM 173 C GLU A 12 -5.174 -10.782 1.366 1.00 1.41 C ATOM 174 O GLU A 12 -5.404 -9.940 2.240 1.00 51.11 O ATOM 175 CB GLU A 12 -6.407 -12.978 1.693 1.00 14.12 C ATOM 176 CG GLU A 12 -6.907 -12.720 3.131 1.00 15.21 C ATOM 177 CD GLU A 12 -6.795 -13.946 4.038 1.00 1.54 C ATOM 178 OE1 GLU A 12 -7.614 -14.873 3.907 1.00 14.53 O ATOM 179 OE2 GLU A 12 -5.871 -13.997 4.881 1.00 44.31 O ATOM 0 H GLU A 12 -5.894 -13.025 -0.766 1.00 24.21 H new ATOM 0 HA GLU A 12 -7.248 -11.160 0.897 1.00 55.01 H new ATOM 0 HB2 GLU A 12 -7.082 -13.680 1.204 1.00 14.12 H new ATOM 0 HB3 GLU A 12 -5.428 -13.456 1.739 1.00 14.12 H new ATOM 0 HG2 GLU A 12 -6.334 -11.901 3.566 1.00 15.21 H new ATOM 0 HG3 GLU A 12 -7.947 -12.397 3.094 1.00 15.21 H new ATOM 186 N GLU A 13 -3.958 -10.975 0.822 1.00 52.33 N ATOM 187 CA GLU A 13 -2.792 -10.113 1.076 1.00 24.21 C ATOM 188 C GLU A 13 -3.079 -8.664 0.657 1.00 24.44 C ATOM 189 O GLU A 13 -2.739 -7.724 1.382 1.00 15.31 O ATOM 190 CB GLU A 13 -1.569 -10.662 0.308 1.00 64.11 C ATOM 191 CG GLU A 13 -0.307 -9.782 0.375 1.00 55.33 C ATOM 192 CD GLU A 13 0.858 -10.357 -0.433 1.00 13.34 C ATOM 193 OE1 GLU A 13 0.810 -10.302 -1.675 1.00 0.53 O ATOM 194 OE2 GLU A 13 1.830 -10.862 0.164 1.00 34.31 O ATOM 0 H GLU A 13 -3.757 -11.746 0.185 1.00 52.33 H new ATOM 0 HA GLU A 13 -2.579 -10.116 2.145 1.00 24.21 H new ATOM 0 HB2 GLU A 13 -1.326 -11.649 0.701 1.00 64.11 H new ATOM 0 HB3 GLU A 13 -1.846 -10.794 -0.738 1.00 64.11 H new ATOM 0 HG2 GLU A 13 -0.544 -8.785 0.004 1.00 55.33 H new ATOM 0 HG3 GLU A 13 -0.002 -9.670 1.415 1.00 55.33 H new ATOM 201 N ALA A 14 -3.720 -8.509 -0.513 1.00 42.22 N ATOM 202 CA ALA A 14 -4.143 -7.204 -1.035 1.00 50.44 C ATOM 203 C ALA A 14 -5.112 -6.506 -0.060 1.00 44.01 C ATOM 204 O ALA A 14 -4.972 -5.307 0.191 1.00 64.14 O ATOM 205 CB ALA A 14 -4.775 -7.380 -2.423 1.00 21.24 C ATOM 0 H ALA A 14 -3.959 -9.290 -1.124 1.00 42.22 H new ATOM 0 HA ALA A 14 -3.267 -6.562 -1.133 1.00 50.44 H new ATOM 0 HB1 ALA A 14 -5.087 -6.409 -2.806 1.00 21.24 H new ATOM 0 HB2 ALA A 14 -4.045 -7.820 -3.102 1.00 21.24 H new ATOM 0 HB3 ALA A 14 -5.642 -8.036 -2.347 1.00 21.24 H new ATOM 211 N GLU A 15 -6.061 -7.291 0.510 1.00 25.33 N ATOM 212 CA GLU A 15 -7.021 -6.809 1.530 1.00 3.24 C ATOM 213 C GLU A 15 -6.292 -6.227 2.756 1.00 63.35 C ATOM 214 O GLU A 15 -6.691 -5.183 3.298 1.00 72.41 O ATOM 215 CB GLU A 15 -7.949 -7.968 1.983 1.00 20.05 C ATOM 216 CG GLU A 15 -8.781 -8.620 0.864 1.00 13.43 C ATOM 217 CD GLU A 15 -9.801 -7.662 0.227 1.00 2.05 C ATOM 218 OE1 GLU A 15 -10.918 -7.546 0.739 1.00 22.21 O ATOM 219 OE2 GLU A 15 -9.503 -7.037 -0.797 1.00 53.31 O ATOM 0 H GLU A 15 -6.180 -8.276 0.274 1.00 25.33 H new ATOM 0 HA GLU A 15 -7.617 -6.018 1.075 1.00 3.24 H new ATOM 0 HB2 GLU A 15 -7.338 -8.738 2.454 1.00 20.05 H new ATOM 0 HB3 GLU A 15 -8.629 -7.590 2.746 1.00 20.05 H new ATOM 0 HG2 GLU A 15 -8.109 -8.991 0.090 1.00 13.43 H new ATOM 0 HG3 GLU A 15 -9.308 -9.484 1.269 1.00 13.43 H new ATOM 226 N LYS A 16 -5.211 -6.927 3.160 1.00 0.45 N ATOM 227 CA LYS A 16 -4.367 -6.541 4.300 1.00 12.33 C ATOM 228 C LYS A 16 -3.691 -5.183 4.058 1.00 73.14 C ATOM 229 O LYS A 16 -3.685 -4.345 4.945 1.00 71.51 O ATOM 230 CB LYS A 16 -3.264 -7.592 4.548 1.00 43.42 C ATOM 231 CG LYS A 16 -3.734 -9.001 4.932 1.00 43.30 C ATOM 232 CD LYS A 16 -4.374 -9.080 6.336 1.00 3.20 C ATOM 233 CE LYS A 16 -4.611 -10.536 6.767 1.00 41.33 C ATOM 234 NZ LYS A 16 -5.411 -11.281 5.766 1.00 63.14 N ATOM 0 H LYS A 16 -4.901 -7.782 2.698 1.00 0.45 H new ATOM 0 HA LYS A 16 -5.021 -6.474 5.170 1.00 12.33 H new ATOM 0 HB2 LYS A 16 -2.657 -7.669 3.646 1.00 43.42 H new ATOM 0 HB3 LYS A 16 -2.612 -7.222 5.340 1.00 43.42 H new ATOM 0 HG2 LYS A 16 -4.456 -9.348 4.193 1.00 43.30 H new ATOM 0 HG3 LYS A 16 -2.884 -9.682 4.891 1.00 43.30 H new ATOM 0 HD2 LYS A 16 -3.726 -8.586 7.060 1.00 3.20 H new ATOM 0 HD3 LYS A 16 -5.321 -8.541 6.336 1.00 3.20 H new ATOM 0 HE2 LYS A 16 -3.652 -11.034 6.910 1.00 41.33 H new ATOM 0 HE3 LYS A 16 -5.125 -10.552 7.728 1.00 41.33 H new ATOM 0 HZ1 LYS A 16 -5.666 -12.214 6.149 1.00 63.14 H new ATOM 0 HZ2 LYS A 16 -6.277 -10.748 5.548 1.00 63.14 H new ATOM 0 HZ3 LYS A 16 -4.852 -11.405 4.898 1.00 63.14 H new ATOM 248 N ILE A 17 -3.120 -5.004 2.844 1.00 3.02 N ATOM 249 CA ILE A 17 -2.363 -3.788 2.466 1.00 13.54 C ATOM 250 C ILE A 17 -3.266 -2.543 2.503 1.00 41.15 C ATOM 251 O ILE A 17 -2.904 -1.520 3.104 1.00 34.21 O ATOM 252 CB ILE A 17 -1.705 -3.934 1.032 1.00 71.50 C ATOM 253 CG1 ILE A 17 -0.775 -5.186 0.980 1.00 41.43 C ATOM 254 CG2 ILE A 17 -0.926 -2.659 0.617 1.00 44.31 C ATOM 255 CD1 ILE A 17 0.300 -5.228 2.060 1.00 52.04 C ATOM 0 H ILE A 17 -3.171 -5.699 2.099 1.00 3.02 H new ATOM 0 HA ILE A 17 -1.565 -3.667 3.198 1.00 13.54 H new ATOM 0 HB ILE A 17 -2.515 -4.067 0.315 1.00 71.50 H new ATOM 0 HG12 ILE A 17 -1.390 -6.082 1.064 1.00 41.43 H new ATOM 0 HG13 ILE A 17 -0.291 -5.222 0.004 1.00 41.43 H new ATOM 0 HG21 ILE A 17 -0.492 -2.804 -0.372 1.00 44.31 H new ATOM 0 HG22 ILE A 17 -1.607 -1.808 0.593 1.00 44.31 H new ATOM 0 HG23 ILE A 17 -0.131 -2.468 1.338 1.00 44.31 H new ATOM 0 HD11 ILE A 17 0.897 -6.133 1.944 1.00 52.04 H new ATOM 0 HD12 ILE A 17 0.944 -4.354 1.966 1.00 52.04 H new ATOM 0 HD13 ILE A 17 -0.171 -5.227 3.043 1.00 52.04 H new ATOM 267 N ILE A 18 -4.462 -2.681 1.899 1.00 44.34 N ATOM 268 CA ILE A 18 -5.470 -1.612 1.845 1.00 13.41 C ATOM 269 C ILE A 18 -5.868 -1.211 3.265 1.00 23.34 C ATOM 270 O ILE A 18 -5.741 -0.046 3.634 1.00 34.03 O ATOM 271 CB ILE A 18 -6.741 -2.060 1.043 1.00 12.21 C ATOM 272 CG1 ILE A 18 -6.336 -2.492 -0.394 1.00 41.13 C ATOM 273 CG2 ILE A 18 -7.819 -0.942 1.003 1.00 72.55 C ATOM 274 CD1 ILE A 18 -7.453 -3.115 -1.185 1.00 21.21 C ATOM 0 H ILE A 18 -4.754 -3.541 1.434 1.00 44.34 H new ATOM 0 HA ILE A 18 -5.032 -0.758 1.328 1.00 13.41 H new ATOM 0 HB ILE A 18 -7.183 -2.913 1.558 1.00 12.21 H new ATOM 0 HG12 ILE A 18 -5.966 -1.620 -0.933 1.00 41.13 H new ATOM 0 HG13 ILE A 18 -5.511 -3.201 -0.330 1.00 41.13 H new ATOM 0 HG21 ILE A 18 -8.684 -1.291 0.439 1.00 72.55 H new ATOM 0 HG22 ILE A 18 -8.125 -0.695 2.020 1.00 72.55 H new ATOM 0 HG23 ILE A 18 -7.406 -0.055 0.523 1.00 72.55 H new ATOM 0 HD11 ILE A 18 -7.089 -3.388 -2.175 1.00 21.21 H new ATOM 0 HD12 ILE A 18 -7.810 -4.007 -0.670 1.00 21.21 H new ATOM 0 HD13 ILE A 18 -8.271 -2.402 -1.283 1.00 21.21 H new ATOM 286 N ARG A 19 -6.263 -2.221 4.073 1.00 71.45 N ATOM 287 CA ARG A 19 -6.725 -2.007 5.450 1.00 31.21 C ATOM 288 C ARG A 19 -5.615 -1.376 6.302 1.00 41.14 C ATOM 289 O ARG A 19 -5.880 -0.450 7.057 1.00 54.23 O ATOM 290 CB ARG A 19 -7.203 -3.339 6.100 1.00 61.03 C ATOM 291 CG ARG A 19 -7.858 -3.148 7.489 1.00 34.34 C ATOM 292 CD ARG A 19 -8.371 -4.451 8.120 1.00 3.31 C ATOM 293 NE ARG A 19 -9.135 -4.179 9.354 1.00 30.40 N ATOM 294 CZ ARG A 19 -9.123 -4.927 10.469 1.00 43.10 C ATOM 295 NH1 ARG A 19 -8.376 -6.025 10.540 1.00 60.31 N ATOM 296 NH2 ARG A 19 -9.873 -4.571 11.504 1.00 61.14 N ATOM 0 H ARG A 19 -6.268 -3.199 3.785 1.00 71.45 H new ATOM 0 HA ARG A 19 -7.573 -1.323 5.410 1.00 31.21 H new ATOM 0 HB2 ARG A 19 -7.917 -3.823 5.434 1.00 61.03 H new ATOM 0 HB3 ARG A 19 -6.351 -4.012 6.198 1.00 61.03 H new ATOM 0 HG2 ARG A 19 -7.133 -2.691 8.162 1.00 34.34 H new ATOM 0 HG3 ARG A 19 -8.690 -2.450 7.395 1.00 34.34 H new ATOM 0 HD2 ARG A 19 -9.003 -4.980 7.407 1.00 3.31 H new ATOM 0 HD3 ARG A 19 -7.529 -5.105 8.347 1.00 3.31 H new ATOM 0 HE ARG A 19 -9.726 -3.347 9.360 1.00 30.40 H new ATOM 0 HH11 ARG A 19 -7.805 -6.306 9.743 1.00 60.31 H new ATOM 0 HH12 ARG A 19 -8.374 -6.586 11.392 1.00 60.31 H new ATOM 0 HH21 ARG A 19 -10.453 -3.734 11.449 1.00 61.14 H new ATOM 0 HH22 ARG A 19 -9.869 -5.134 12.354 1.00 61.14 H new ATOM 310 N GLU A 20 -4.365 -1.841 6.098 1.00 1.30 N ATOM 311 CA GLU A 20 -3.191 -1.386 6.863 1.00 0.13 C ATOM 312 C GLU A 20 -2.996 0.130 6.704 1.00 62.03 C ATOM 313 O GLU A 20 -2.734 0.841 7.680 1.00 32.42 O ATOM 314 CB GLU A 20 -1.916 -2.144 6.397 1.00 54.52 C ATOM 315 CG GLU A 20 -0.656 -1.897 7.251 1.00 24.33 C ATOM 316 CD GLU A 20 -0.790 -2.397 8.707 1.00 30.52 C ATOM 317 OE1 GLU A 20 -0.616 -3.608 8.949 1.00 53.30 O ATOM 318 OE2 GLU A 20 -1.081 -1.586 9.611 1.00 52.24 O ATOM 0 H GLU A 20 -4.143 -2.546 5.394 1.00 1.30 H new ATOM 0 HA GLU A 20 -3.363 -1.603 7.917 1.00 0.13 H new ATOM 0 HB2 GLU A 20 -2.129 -3.213 6.394 1.00 54.52 H new ATOM 0 HB3 GLU A 20 -1.699 -1.859 5.368 1.00 54.52 H new ATOM 0 HG2 GLU A 20 0.194 -2.393 6.782 1.00 24.33 H new ATOM 0 HG3 GLU A 20 -0.437 -0.829 7.261 1.00 24.33 H new ATOM 325 N ILE A 21 -3.169 0.604 5.460 1.00 75.05 N ATOM 326 CA ILE A 21 -3.084 2.030 5.129 1.00 54.14 C ATOM 327 C ILE A 21 -4.335 2.788 5.634 1.00 32.40 C ATOM 328 O ILE A 21 -4.221 3.887 6.161 1.00 40.51 O ATOM 329 CB ILE A 21 -2.901 2.237 3.581 1.00 60.23 C ATOM 330 CG1 ILE A 21 -1.671 1.422 3.042 1.00 55.41 C ATOM 331 CG2 ILE A 21 -2.772 3.734 3.226 1.00 35.02 C ATOM 332 CD1 ILE A 21 -0.328 1.737 3.695 1.00 60.12 C ATOM 0 H ILE A 21 -3.372 0.008 4.658 1.00 75.05 H new ATOM 0 HA ILE A 21 -2.209 2.440 5.634 1.00 54.14 H new ATOM 0 HB ILE A 21 -3.796 1.856 3.090 1.00 60.23 H new ATOM 0 HG12 ILE A 21 -1.877 0.360 3.173 1.00 55.41 H new ATOM 0 HG13 ILE A 21 -1.583 1.599 1.970 1.00 55.41 H new ATOM 0 HG21 ILE A 21 -2.647 3.843 2.149 1.00 35.02 H new ATOM 0 HG22 ILE A 21 -3.672 4.262 3.542 1.00 35.02 H new ATOM 0 HG23 ILE A 21 -1.906 4.156 3.736 1.00 35.02 H new ATOM 0 HD11 ILE A 21 0.449 1.118 3.247 1.00 60.12 H new ATOM 0 HD12 ILE A 21 -0.087 2.789 3.542 1.00 60.12 H new ATOM 0 HD13 ILE A 21 -0.386 1.530 4.764 1.00 60.12 H new ATOM 344 N ARG A 22 -5.518 2.170 5.499 1.00 54.35 N ATOM 345 CA ARG A 22 -6.820 2.816 5.812 1.00 54.54 C ATOM 346 C ARG A 22 -7.066 3.003 7.327 1.00 65.04 C ATOM 347 O ARG A 22 -7.781 3.940 7.722 1.00 72.33 O ATOM 348 CB ARG A 22 -7.980 2.004 5.172 1.00 40.44 C ATOM 349 CG ARG A 22 -8.017 2.054 3.623 1.00 21.13 C ATOM 350 CD ARG A 22 -8.227 3.468 3.070 1.00 62.04 C ATOM 351 NE ARG A 22 -9.471 4.058 3.585 1.00 41.32 N ATOM 352 CZ ARG A 22 -9.843 5.334 3.445 1.00 0.22 C ATOM 353 NH1 ARG A 22 -9.080 6.201 2.786 1.00 51.13 N ATOM 354 NH2 ARG A 22 -10.966 5.752 4.013 1.00 33.23 N ATOM 0 H ARG A 22 -5.609 1.209 5.171 1.00 54.35 H new ATOM 0 HA ARG A 22 -6.784 3.818 5.384 1.00 54.54 H new ATOM 0 HB2 ARG A 22 -7.897 0.964 5.488 1.00 40.44 H new ATOM 0 HB3 ARG A 22 -8.927 2.380 5.558 1.00 40.44 H new ATOM 0 HG2 ARG A 22 -7.083 1.652 3.230 1.00 21.13 H new ATOM 0 HG3 ARG A 22 -8.818 1.408 3.264 1.00 21.13 H new ATOM 0 HD2 ARG A 22 -7.381 4.098 3.344 1.00 62.04 H new ATOM 0 HD3 ARG A 22 -8.260 3.435 1.981 1.00 62.04 H new ATOM 0 HE ARG A 22 -10.105 3.441 4.093 1.00 41.32 H new ATOM 0 HH11 ARG A 22 -8.196 5.896 2.378 1.00 51.13 H new ATOM 0 HH12 ARG A 22 -9.378 7.171 2.688 1.00 51.13 H new ATOM 0 HH21 ARG A 22 -11.538 5.101 4.551 1.00 33.23 H new ATOM 0 HH22 ARG A 22 -11.258 6.724 3.911 1.00 33.23 H new ATOM 368 N GLU A 23 -6.498 2.110 8.162 1.00 35.32 N ATOM 369 CA GLU A 23 -6.668 2.179 9.630 1.00 14.13 C ATOM 370 C GLU A 23 -5.858 3.343 10.208 1.00 14.14 C ATOM 371 O GLU A 23 -6.284 3.972 11.174 1.00 45.24 O ATOM 372 CB GLU A 23 -6.236 0.863 10.333 1.00 13.55 C ATOM 373 CG GLU A 23 -7.041 -0.395 9.945 1.00 61.40 C ATOM 374 CD GLU A 23 -8.565 -0.223 10.082 1.00 55.12 C ATOM 375 OE1 GLU A 23 -9.065 -0.181 11.221 1.00 11.41 O ATOM 376 OE2 GLU A 23 -9.266 -0.149 9.046 1.00 13.14 O ATOM 0 H GLU A 23 -5.918 1.333 7.847 1.00 35.32 H new ATOM 0 HA GLU A 23 -7.731 2.333 9.817 1.00 14.13 H new ATOM 0 HB2 GLU A 23 -5.184 0.682 10.112 1.00 13.55 H new ATOM 0 HB3 GLU A 23 -6.315 1.005 11.411 1.00 13.55 H new ATOM 0 HG2 GLU A 23 -6.806 -0.662 8.915 1.00 61.40 H new ATOM 0 HG3 GLU A 23 -6.721 -1.228 10.571 1.00 61.40 H new ATOM 383 N GLN A 24 -4.682 3.603 9.616 1.00 51.11 N ATOM 384 CA GLN A 24 -3.753 4.646 10.083 1.00 52.22 C ATOM 385 C GLN A 24 -4.106 5.991 9.432 1.00 54.11 C ATOM 386 O GLN A 24 -4.241 7.012 10.112 1.00 24.11 O ATOM 387 CB GLN A 24 -2.291 4.247 9.740 1.00 21.24 C ATOM 388 CG GLN A 24 -1.909 2.805 10.140 1.00 61.13 C ATOM 389 CD GLN A 24 -0.472 2.436 9.774 1.00 75.30 C ATOM 390 OE1 GLN A 24 0.424 3.279 9.803 1.00 3.11 O ATOM 391 NE2 GLN A 24 -0.232 1.194 9.405 1.00 23.32 N ATOM 0 H GLN A 24 -4.347 3.095 8.798 1.00 51.11 H new ATOM 0 HA GLN A 24 -3.843 4.746 11.165 1.00 52.22 H new ATOM 0 HB2 GLN A 24 -2.138 4.365 8.667 1.00 21.24 H new ATOM 0 HB3 GLN A 24 -1.613 4.940 10.237 1.00 21.24 H new ATOM 0 HG2 GLN A 24 -2.045 2.686 11.215 1.00 61.13 H new ATOM 0 HG3 GLN A 24 -2.591 2.108 9.653 1.00 61.13 H new ATOM 0 HE21 GLN A 24 -0.990 0.511 9.388 1.00 23.32 H new ATOM 0 HE22 GLN A 24 0.712 0.915 9.136 1.00 23.32 H new ATOM 400 N TRP A 25 -4.229 5.961 8.096 1.00 24.02 N ATOM 401 CA TRP A 25 -4.581 7.124 7.267 1.00 21.04 C ATOM 402 C TRP A 25 -6.000 6.928 6.655 1.00 62.44 C ATOM 403 O TRP A 25 -6.147 6.259 5.621 1.00 53.02 O ATOM 404 CB TRP A 25 -3.522 7.309 6.143 1.00 23.12 C ATOM 405 CG TRP A 25 -2.098 7.408 6.649 1.00 10.21 C ATOM 406 CD1 TRP A 25 -1.465 8.512 7.154 1.00 73.44 C ATOM 407 CD2 TRP A 25 -1.135 6.341 6.705 1.00 33.34 C ATOM 408 NE1 TRP A 25 -0.189 8.185 7.527 1.00 31.51 N ATOM 409 CE2 TRP A 25 0.038 6.866 7.259 1.00 70.32 C ATOM 410 CE3 TRP A 25 -1.162 4.992 6.342 1.00 54.52 C ATOM 411 CZ2 TRP A 25 1.173 6.093 7.459 1.00 55.03 C ATOM 412 CZ3 TRP A 25 -0.036 4.222 6.540 1.00 71.54 C ATOM 413 CH2 TRP A 25 1.121 4.775 7.097 1.00 24.41 C ATOM 0 H TRP A 25 -4.084 5.111 7.551 1.00 24.02 H new ATOM 0 HA TRP A 25 -4.591 8.020 7.887 1.00 21.04 H new ATOM 0 HB2 TRP A 25 -3.593 6.471 5.450 1.00 23.12 H new ATOM 0 HB3 TRP A 25 -3.760 8.211 5.579 1.00 23.12 H new ATOM 0 HD1 TRP A 25 -1.906 9.494 7.245 1.00 73.44 H new ATOM 0 HE1 TRP A 25 0.487 8.827 7.941 1.00 31.51 H new ATOM 0 HE3 TRP A 25 -2.053 4.559 5.912 1.00 54.52 H new ATOM 0 HZ2 TRP A 25 2.069 6.518 7.887 1.00 55.03 H new ATOM 0 HZ3 TRP A 25 -0.048 3.179 6.261 1.00 71.54 H new ATOM 0 HH2 TRP A 25 1.989 4.150 7.244 1.00 24.41 H new ATOM 424 N PRO A 26 -7.079 7.477 7.313 1.00 54.20 N ATOM 425 CA PRO A 26 -8.466 7.420 6.777 1.00 73.42 C ATOM 426 C PRO A 26 -8.659 8.297 5.517 1.00 74.45 C ATOM 427 O PRO A 26 -9.640 8.140 4.783 1.00 72.45 O ATOM 428 CB PRO A 26 -9.349 7.936 7.956 1.00 33.43 C ATOM 429 CG PRO A 26 -8.442 7.992 9.159 1.00 13.05 C ATOM 430 CD PRO A 26 -7.040 8.168 8.627 1.00 63.21 C ATOM 0 HA PRO A 26 -8.726 6.412 6.453 1.00 73.42 H new ATOM 0 HB2 PRO A 26 -9.763 8.919 7.733 1.00 33.43 H new ATOM 0 HB3 PRO A 26 -10.192 7.268 8.133 1.00 33.43 H new ATOM 0 HG2 PRO A 26 -8.716 8.819 9.814 1.00 13.05 H new ATOM 0 HG3 PRO A 26 -8.522 7.079 9.749 1.00 13.05 H new ATOM 0 HD2 PRO A 26 -6.781 9.221 8.519 1.00 63.21 H new ATOM 0 HD3 PRO A 26 -6.299 7.724 9.292 1.00 63.21 H new ATOM 438 N LYS A 27 -7.763 9.276 5.316 1.00 13.14 N ATOM 439 CA LYS A 27 -7.828 10.200 4.166 1.00 22.44 C ATOM 440 C LYS A 27 -6.913 9.771 3.001 1.00 71.12 C ATOM 441 O LYS A 27 -6.659 10.572 2.098 1.00 12.03 O ATOM 442 CB LYS A 27 -7.439 11.623 4.668 1.00 61.34 C ATOM 443 CG LYS A 27 -8.258 12.119 5.888 1.00 15.25 C ATOM 444 CD LYS A 27 -9.774 12.275 5.601 1.00 53.04 C ATOM 445 CE LYS A 27 -10.087 13.383 4.577 1.00 45.51 C ATOM 446 NZ LYS A 27 -9.699 14.731 5.065 1.00 61.44 N ATOM 0 H LYS A 27 -6.976 9.451 5.941 1.00 13.14 H new ATOM 0 HA LYS A 27 -8.844 10.189 3.770 1.00 22.44 H new ATOM 0 HB2 LYS A 27 -6.381 11.625 4.931 1.00 61.34 H new ATOM 0 HB3 LYS A 27 -7.566 12.331 3.849 1.00 61.34 H new ATOM 0 HG2 LYS A 27 -8.124 11.419 6.713 1.00 15.25 H new ATOM 0 HG3 LYS A 27 -7.859 13.079 6.216 1.00 15.25 H new ATOM 0 HD2 LYS A 27 -10.167 11.327 5.233 1.00 53.04 H new ATOM 0 HD3 LYS A 27 -10.293 12.494 6.534 1.00 53.04 H new ATOM 0 HE2 LYS A 27 -9.562 13.172 3.645 1.00 45.51 H new ATOM 0 HE3 LYS A 27 -11.153 13.374 4.351 1.00 45.51 H new ATOM 0 HZ1 LYS A 27 -10.036 15.453 4.396 1.00 61.44 H new ATOM 0 HZ2 LYS A 27 -10.126 14.898 5.998 1.00 61.44 H new ATOM 0 HZ3 LYS A 27 -8.663 14.787 5.143 1.00 61.44 H new ATOM 460 N ALA A 28 -6.521 8.484 2.948 1.00 42.24 N ATOM 461 CA ALA A 28 -5.499 8.018 1.982 1.00 1.34 C ATOM 462 C ALA A 28 -6.216 7.181 0.921 1.00 5.15 C ATOM 463 O ALA A 28 -6.701 6.083 1.239 1.00 22.35 O ATOM 464 CB ALA A 28 -4.405 7.200 2.685 1.00 51.55 C ATOM 0 H ALA A 28 -6.890 7.752 3.555 1.00 42.24 H new ATOM 0 HA ALA A 28 -5.002 8.870 1.519 1.00 1.34 H new ATOM 0 HB1 ALA A 28 -3.669 6.871 1.952 1.00 51.55 H new ATOM 0 HB2 ALA A 28 -3.916 7.818 3.438 1.00 51.55 H new ATOM 0 HB3 ALA A 28 -4.853 6.330 3.165 1.00 51.55 H new ATOM 470 N THR A 29 -6.316 7.682 -0.323 1.00 21.40 N ATOM 471 CA THR A 29 -7.040 6.980 -1.391 1.00 33.04 C ATOM 472 C THR A 29 -6.256 5.737 -1.850 1.00 61.24 C ATOM 473 O THR A 29 -5.154 5.852 -2.399 1.00 63.42 O ATOM 474 CB THR A 29 -7.300 7.925 -2.612 1.00 63.13 C ATOM 475 OG1 THR A 29 -7.952 9.126 -2.165 1.00 61.35 O ATOM 476 CG2 THR A 29 -8.165 7.251 -3.702 1.00 22.03 C ATOM 0 H THR A 29 -5.904 8.570 -0.611 1.00 21.40 H new ATOM 0 HA THR A 29 -8.002 6.665 -0.987 1.00 33.04 H new ATOM 0 HB THR A 29 -6.331 8.159 -3.053 1.00 63.13 H new ATOM 0 HG1 THR A 29 -8.112 9.716 -2.931 1.00 61.35 H new ATOM 0 HG21 THR A 29 -8.317 7.946 -4.527 1.00 22.03 H new ATOM 0 HG22 THR A 29 -7.658 6.358 -4.068 1.00 22.03 H new ATOM 0 HG23 THR A 29 -9.130 6.972 -3.280 1.00 22.03 H new ATOM 484 N VAL A 30 -6.818 4.553 -1.569 1.00 75.15 N ATOM 485 CA VAL A 30 -6.305 3.268 -2.070 1.00 13.45 C ATOM 486 C VAL A 30 -7.293 2.721 -3.120 1.00 4.14 C ATOM 487 O VAL A 30 -8.510 2.810 -2.931 1.00 23.22 O ATOM 488 CB VAL A 30 -6.120 2.203 -0.916 1.00 45.14 C ATOM 489 CG1 VAL A 30 -5.335 0.972 -1.419 1.00 52.14 C ATOM 490 CG2 VAL A 30 -5.446 2.815 0.334 1.00 74.20 C ATOM 0 H VAL A 30 -7.648 4.458 -0.983 1.00 75.15 H new ATOM 0 HA VAL A 30 -5.323 3.443 -2.509 1.00 13.45 H new ATOM 0 HB VAL A 30 -7.116 1.875 -0.618 1.00 45.14 H new ATOM 0 HG11 VAL A 30 -5.222 0.255 -0.606 1.00 52.14 H new ATOM 0 HG12 VAL A 30 -5.878 0.505 -2.241 1.00 52.14 H new ATOM 0 HG13 VAL A 30 -4.350 1.285 -1.766 1.00 52.14 H new ATOM 0 HG21 VAL A 30 -5.339 2.048 1.101 1.00 74.20 H new ATOM 0 HG22 VAL A 30 -4.462 3.200 0.065 1.00 74.20 H new ATOM 0 HG23 VAL A 30 -6.061 3.629 0.718 1.00 74.20 H new ATOM 500 N THR A 31 -6.760 2.179 -4.215 1.00 63.33 N ATOM 501 CA THR A 31 -7.531 1.532 -5.283 1.00 25.04 C ATOM 502 C THR A 31 -6.995 0.110 -5.458 1.00 31.53 C ATOM 503 O THR A 31 -5.774 -0.089 -5.506 1.00 74.13 O ATOM 504 CB THR A 31 -7.397 2.312 -6.638 1.00 53.32 C ATOM 505 OG1 THR A 31 -7.747 3.691 -6.451 1.00 30.41 O ATOM 506 CG2 THR A 31 -8.284 1.709 -7.746 1.00 13.15 C ATOM 0 H THR A 31 -5.755 2.176 -4.391 1.00 63.33 H new ATOM 0 HA THR A 31 -8.586 1.523 -5.008 1.00 25.04 H new ATOM 0 HB THR A 31 -6.357 2.228 -6.954 1.00 53.32 H new ATOM 0 HG1 THR A 31 -7.658 4.169 -7.302 1.00 30.41 H new ATOM 0 HG21 THR A 31 -8.158 2.282 -8.665 1.00 13.15 H new ATOM 0 HG22 THR A 31 -7.993 0.673 -7.921 1.00 13.15 H new ATOM 0 HG23 THR A 31 -9.328 1.745 -7.436 1.00 13.15 H new ATOM 514 N ARG A 32 -7.890 -0.876 -5.560 1.00 21.22 N ATOM 515 CA ARG A 32 -7.508 -2.280 -5.710 1.00 32.33 C ATOM 516 C ARG A 32 -7.810 -2.750 -7.132 1.00 43.10 C ATOM 517 O ARG A 32 -8.902 -2.519 -7.656 1.00 13.44 O ATOM 518 CB ARG A 32 -8.257 -3.161 -4.691 1.00 34.43 C ATOM 519 CG ARG A 32 -7.899 -4.662 -4.769 1.00 51.14 C ATOM 520 CD ARG A 32 -8.596 -5.495 -3.687 1.00 42.23 C ATOM 521 NE ARG A 32 -10.055 -5.281 -3.656 1.00 44.11 N ATOM 522 CZ ARG A 32 -11.003 -6.220 -3.795 1.00 61.41 C ATOM 523 NH1 ARG A 32 -10.688 -7.506 -3.991 1.00 51.33 N ATOM 524 NH2 ARG A 32 -12.269 -5.852 -3.726 1.00 32.12 N ATOM 0 H ARG A 32 -8.898 -0.722 -5.541 1.00 21.22 H new ATOM 0 HA ARG A 32 -6.438 -2.371 -5.521 1.00 32.33 H new ATOM 0 HB2 ARG A 32 -8.041 -2.799 -3.686 1.00 34.43 H new ATOM 0 HB3 ARG A 32 -9.330 -3.046 -4.847 1.00 34.43 H new ATOM 0 HG2 ARG A 32 -8.175 -5.046 -5.751 1.00 51.14 H new ATOM 0 HG3 ARG A 32 -6.820 -4.779 -4.672 1.00 51.14 H new ATOM 0 HD2 ARG A 32 -8.391 -6.552 -3.860 1.00 42.23 H new ATOM 0 HD3 ARG A 32 -8.175 -5.244 -2.713 1.00 42.23 H new ATOM 0 HE ARG A 32 -10.375 -4.323 -3.515 1.00 44.11 H new ATOM 0 HH11 ARG A 32 -9.709 -7.790 -4.037 1.00 51.33 H new ATOM 0 HH12 ARG A 32 -11.427 -8.202 -4.094 1.00 51.33 H new ATOM 0 HH21 ARG A 32 -12.508 -4.873 -3.570 1.00 32.12 H new ATOM 0 HH22 ARG A 32 -13.008 -6.547 -3.829 1.00 32.12 H new ATOM 538 N THR A 33 -6.823 -3.399 -7.741 1.00 32.21 N ATOM 539 CA THR A 33 -6.928 -4.014 -9.060 1.00 51.14 C ATOM 540 C THR A 33 -6.120 -5.306 -8.953 1.00 51.24 C ATOM 541 O THR A 33 -4.909 -5.217 -8.916 1.00 63.45 O ATOM 542 CB THR A 33 -6.412 -3.049 -10.198 1.00 11.23 C ATOM 543 OG1 THR A 33 -6.328 -3.747 -11.456 1.00 25.44 O ATOM 544 CG2 THR A 33 -5.055 -2.374 -9.872 1.00 44.20 C ATOM 0 H THR A 33 -5.902 -3.515 -7.319 1.00 32.21 H new ATOM 0 HA THR A 33 -7.960 -4.222 -9.342 1.00 51.14 H new ATOM 0 HB THR A 33 -7.148 -2.248 -10.269 1.00 11.23 H new ATOM 0 HG1 THR A 33 -6.008 -3.133 -12.150 1.00 25.44 H new ATOM 0 HG21 THR A 33 -4.763 -1.726 -10.698 1.00 44.20 H new ATOM 0 HG22 THR A 33 -5.153 -1.781 -8.963 1.00 44.20 H new ATOM 0 HG23 THR A 33 -4.294 -3.140 -9.725 1.00 44.20 H new ATOM 552 N ASN A 34 -6.784 -6.484 -8.827 1.00 22.33 N ATOM 553 CA ASN A 34 -6.113 -7.766 -8.450 1.00 51.14 C ATOM 554 C ASN A 34 -4.771 -7.973 -9.206 1.00 51.23 C ATOM 555 O ASN A 34 -4.741 -8.067 -10.438 1.00 13.02 O ATOM 556 CB ASN A 34 -7.055 -8.979 -8.677 1.00 43.13 C ATOM 557 CG ASN A 34 -6.518 -10.289 -8.059 1.00 41.01 C ATOM 558 OD1 ASN A 34 -5.819 -10.275 -7.045 1.00 40.42 O ATOM 559 ND2 ASN A 34 -6.823 -11.425 -8.665 1.00 43.32 N ATOM 0 H ASN A 34 -7.788 -6.577 -8.981 1.00 22.33 H new ATOM 0 HA ASN A 34 -5.882 -7.697 -7.387 1.00 51.14 H new ATOM 0 HB2 ASN A 34 -8.033 -8.757 -8.249 1.00 43.13 H new ATOM 0 HB3 ASN A 34 -7.201 -9.123 -9.748 1.00 43.13 H new ATOM 0 HD21 ASN A 34 -6.478 -12.310 -8.293 1.00 43.32 H new ATOM 0 HD22 ASN A 34 -7.403 -11.416 -9.504 1.00 43.32 H new ATOM 566 N GLY A 35 -3.678 -8.057 -8.432 1.00 44.01 N ATOM 567 CA GLY A 35 -2.313 -7.979 -8.973 1.00 22.22 C ATOM 568 C GLY A 35 -1.534 -6.797 -8.413 1.00 14.23 C ATOM 569 O GLY A 35 -0.359 -6.939 -8.074 1.00 3.33 O ATOM 0 H GLY A 35 -3.715 -8.180 -7.420 1.00 44.01 H new ATOM 0 HA2 GLY A 35 -1.781 -8.902 -8.744 1.00 22.22 H new ATOM 0 HA3 GLY A 35 -2.359 -7.898 -10.059 1.00 22.22 H new ATOM 573 N ASP A 36 -2.183 -5.618 -8.319 1.00 50.11 N ATOM 574 CA ASP A 36 -1.567 -4.391 -7.762 1.00 31.43 C ATOM 575 C ASP A 36 -2.483 -3.690 -6.736 1.00 54.42 C ATOM 576 O ASP A 36 -3.703 -3.907 -6.703 1.00 55.42 O ATOM 577 CB ASP A 36 -1.211 -3.372 -8.893 1.00 64.21 C ATOM 578 CG ASP A 36 0.002 -3.784 -9.745 1.00 55.54 C ATOM 579 OD1 ASP A 36 1.160 -3.627 -9.276 1.00 74.04 O ATOM 580 OD2 ASP A 36 -0.181 -4.232 -10.897 1.00 51.13 O ATOM 0 H ASP A 36 -3.147 -5.488 -8.626 1.00 50.11 H new ATOM 0 HA ASP A 36 -0.657 -4.714 -7.256 1.00 31.43 H new ATOM 0 HB2 ASP A 36 -2.076 -3.251 -9.545 1.00 64.21 H new ATOM 0 HB3 ASP A 36 -1.013 -2.399 -8.443 1.00 64.21 H new ATOM 585 N ILE A 37 -1.846 -2.829 -5.923 1.00 71.41 N ATOM 586 CA ILE A 37 -2.505 -1.928 -4.962 1.00 10.13 C ATOM 587 C ILE A 37 -2.000 -0.504 -5.218 1.00 71.44 C ATOM 588 O ILE A 37 -0.860 -0.167 -4.885 1.00 43.03 O ATOM 589 CB ILE A 37 -2.225 -2.357 -3.455 1.00 50.24 C ATOM 590 CG1 ILE A 37 -2.904 -3.720 -3.128 1.00 20.51 C ATOM 591 CG2 ILE A 37 -2.676 -1.269 -2.437 1.00 73.21 C ATOM 592 CD1 ILE A 37 -4.414 -3.731 -3.318 1.00 51.31 C ATOM 0 H ILE A 37 -0.830 -2.738 -5.916 1.00 71.41 H new ATOM 0 HA ILE A 37 -3.584 -1.982 -5.106 1.00 10.13 H new ATOM 0 HB ILE A 37 -1.145 -2.469 -3.356 1.00 50.24 H new ATOM 0 HG12 ILE A 37 -2.465 -4.492 -3.760 1.00 20.51 H new ATOM 0 HG13 ILE A 37 -2.678 -3.986 -2.096 1.00 20.51 H new ATOM 0 HG21 ILE A 37 -2.464 -1.609 -1.423 1.00 73.21 H new ATOM 0 HG22 ILE A 37 -2.134 -0.343 -2.630 1.00 73.21 H new ATOM 0 HG23 ILE A 37 -3.746 -1.092 -2.544 1.00 73.21 H new ATOM 0 HD11 ILE A 37 -4.805 -4.717 -3.069 1.00 51.31 H new ATOM 0 HD12 ILE A 37 -4.868 -2.985 -2.666 1.00 51.31 H new ATOM 0 HD13 ILE A 37 -4.652 -3.498 -4.356 1.00 51.31 H new ATOM 604 N LYS A 38 -2.859 0.326 -5.819 1.00 5.10 N ATOM 605 CA LYS A 38 -2.510 1.701 -6.199 1.00 51.12 C ATOM 606 C LYS A 38 -2.937 2.663 -5.083 1.00 74.24 C ATOM 607 O LYS A 38 -4.114 2.952 -4.915 1.00 41.15 O ATOM 608 CB LYS A 38 -3.195 2.057 -7.547 1.00 15.14 C ATOM 609 CG LYS A 38 -2.876 1.054 -8.676 1.00 71.42 C ATOM 610 CD LYS A 38 -3.507 1.442 -10.027 1.00 52.13 C ATOM 611 CE LYS A 38 -5.044 1.444 -9.998 1.00 53.43 C ATOM 612 NZ LYS A 38 -5.616 1.719 -11.342 1.00 0.14 N ATOM 0 H LYS A 38 -3.816 0.065 -6.056 1.00 5.10 H new ATOM 0 HA LYS A 38 -1.432 1.791 -6.332 1.00 51.12 H new ATOM 0 HB2 LYS A 38 -4.274 2.096 -7.399 1.00 15.14 H new ATOM 0 HB3 LYS A 38 -2.879 3.054 -7.855 1.00 15.14 H new ATOM 0 HG2 LYS A 38 -1.795 0.982 -8.794 1.00 71.42 H new ATOM 0 HG3 LYS A 38 -3.232 0.065 -8.386 1.00 71.42 H new ATOM 0 HD2 LYS A 38 -3.154 2.432 -10.315 1.00 52.13 H new ATOM 0 HD3 LYS A 38 -3.165 0.747 -10.794 1.00 52.13 H new ATOM 0 HE2 LYS A 38 -5.403 0.479 -9.640 1.00 53.43 H new ATOM 0 HE3 LYS A 38 -5.394 2.197 -9.292 1.00 53.43 H new ATOM 0 HZ1 LYS A 38 -6.654 1.713 -11.285 1.00 0.14 H new ATOM 0 HZ2 LYS A 38 -5.293 2.651 -11.673 1.00 0.14 H new ATOM 0 HZ3 LYS A 38 -5.301 0.986 -12.010 1.00 0.14 H new ATOM 626 N LEU A 39 -1.950 3.138 -4.336 1.00 42.42 N ATOM 627 CA LEU A 39 -2.121 4.072 -3.217 1.00 70.31 C ATOM 628 C LEU A 39 -1.624 5.464 -3.632 1.00 65.24 C ATOM 629 O LEU A 39 -0.657 5.589 -4.395 1.00 44.21 O ATOM 630 CB LEU A 39 -1.326 3.538 -1.984 1.00 21.11 C ATOM 631 CG LEU A 39 -1.157 4.505 -0.758 1.00 54.13 C ATOM 632 CD1 LEU A 39 -2.510 4.984 -0.195 1.00 24.33 C ATOM 633 CD2 LEU A 39 -0.310 3.835 0.333 1.00 31.55 C ATOM 0 H LEU A 39 -0.976 2.880 -4.492 1.00 42.42 H new ATOM 0 HA LEU A 39 -3.174 4.152 -2.947 1.00 70.31 H new ATOM 0 HB2 LEU A 39 -1.819 2.632 -1.632 1.00 21.11 H new ATOM 0 HB3 LEU A 39 -0.332 3.249 -2.324 1.00 21.11 H new ATOM 0 HG LEU A 39 -0.637 5.395 -1.112 1.00 54.13 H new ATOM 0 HD11 LEU A 39 -2.337 5.650 0.651 1.00 24.33 H new ATOM 0 HD12 LEU A 39 -3.058 5.518 -0.971 1.00 24.33 H new ATOM 0 HD13 LEU A 39 -3.092 4.123 0.134 1.00 24.33 H new ATOM 0 HD21 LEU A 39 -0.200 4.515 1.177 1.00 31.55 H new ATOM 0 HD22 LEU A 39 -0.802 2.921 0.665 1.00 31.55 H new ATOM 0 HD23 LEU A 39 0.674 3.592 -0.068 1.00 31.55 H new ATOM 645 N ASP A 40 -2.300 6.502 -3.126 1.00 21.34 N ATOM 646 CA ASP A 40 -1.869 7.889 -3.266 1.00 62.21 C ATOM 647 C ASP A 40 -1.421 8.383 -1.891 1.00 15.42 C ATOM 648 O ASP A 40 -2.243 8.514 -0.968 1.00 74.34 O ATOM 649 CB ASP A 40 -2.997 8.783 -3.829 1.00 12.55 C ATOM 650 CG ASP A 40 -2.602 10.275 -3.875 1.00 23.21 C ATOM 651 OD1 ASP A 40 -1.590 10.615 -4.530 1.00 1.21 O ATOM 652 OD2 ASP A 40 -3.304 11.118 -3.273 1.00 12.11 O ATOM 0 H ASP A 40 -3.170 6.397 -2.603 1.00 21.34 H new ATOM 0 HA ASP A 40 -1.045 7.944 -3.977 1.00 62.21 H new ATOM 0 HB2 ASP A 40 -3.255 8.448 -4.834 1.00 12.55 H new ATOM 0 HB3 ASP A 40 -3.890 8.666 -3.215 1.00 12.55 H new ATOM 657 N ALA A 41 -0.112 8.594 -1.755 1.00 15.54 N ATOM 658 CA ALA A 41 0.493 9.135 -0.537 1.00 0.00 C ATOM 659 C ALA A 41 0.430 10.660 -0.582 1.00 62.13 C ATOM 660 O ALA A 41 0.657 11.269 -1.646 1.00 2.34 O ATOM 661 CB ALA A 41 1.936 8.653 -0.402 1.00 13.20 C ATOM 0 H ALA A 41 0.564 8.393 -2.492 1.00 15.54 H new ATOM 0 HA ALA A 41 -0.059 8.782 0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.373 9.063 0.508 1.00 13.20 H new ATOM 0 HB2 ALA A 41 1.953 7.564 -0.354 1.00 13.20 H new ATOM 0 HB3 ALA A 41 2.513 8.987 -1.264 1.00 13.20 H new ATOM 667 N GLN A 42 0.132 11.265 0.574 1.00 3.13 N ATOM 668 CA GLN A 42 -0.113 12.710 0.683 1.00 34.04 C ATOM 669 C GLN A 42 1.176 13.482 0.393 1.00 72.21 C ATOM 670 O GLN A 42 1.245 14.280 -0.546 1.00 61.51 O ATOM 671 CB GLN A 42 -0.663 13.055 2.098 1.00 10.33 C ATOM 672 CG GLN A 42 -1.747 12.086 2.648 1.00 3.41 C ATOM 673 CD GLN A 42 -3.034 11.966 1.808 1.00 3.13 C ATOM 674 OE1 GLN A 42 -3.033 12.054 0.582 1.00 14.32 O ATOM 675 NE2 GLN A 42 -4.157 11.773 2.478 1.00 11.24 N ATOM 0 H GLN A 42 0.054 10.767 1.461 1.00 3.13 H new ATOM 0 HA GLN A 42 -0.861 13.003 -0.053 1.00 34.04 H new ATOM 0 HB2 GLN A 42 0.172 13.074 2.799 1.00 10.33 H new ATOM 0 HB3 GLN A 42 -1.080 14.062 2.071 1.00 10.33 H new ATOM 0 HG2 GLN A 42 -1.305 11.094 2.743 1.00 3.41 H new ATOM 0 HG3 GLN A 42 -2.021 12.411 3.652 1.00 3.41 H new ATOM 0 HE21 GLN A 42 -4.138 11.702 3.495 1.00 11.24 H new ATOM 0 HE22 GLN A 42 -5.042 11.695 1.978 1.00 11.24 H new ATOM 684 N THR A 43 2.212 13.171 1.178 1.00 33.50 N ATOM 685 CA THR A 43 3.570 13.682 0.977 1.00 72.24 C ATOM 686 C THR A 43 4.528 12.498 0.767 1.00 22.31 C ATOM 687 O THR A 43 4.137 11.340 0.971 1.00 22.12 O ATOM 688 CB THR A 43 4.044 14.547 2.193 1.00 21.44 C ATOM 689 OG1 THR A 43 4.091 13.748 3.388 1.00 11.40 O ATOM 690 CG2 THR A 43 3.125 15.766 2.423 1.00 1.51 C ATOM 0 H THR A 43 2.129 12.549 1.982 1.00 33.50 H new ATOM 0 HA THR A 43 3.571 14.324 0.096 1.00 72.24 H new ATOM 0 HB THR A 43 5.043 14.915 1.958 1.00 21.44 H new ATOM 0 HG1 THR A 43 4.390 14.301 4.140 1.00 11.40 H new ATOM 0 HG21 THR A 43 3.488 16.340 3.275 1.00 1.51 H new ATOM 0 HG22 THR A 43 3.127 16.396 1.534 1.00 1.51 H new ATOM 0 HG23 THR A 43 2.110 15.424 2.622 1.00 1.51 H new ATOM 698 N GLU A 44 5.772 12.799 0.361 1.00 64.23 N ATOM 699 CA GLU A 44 6.844 11.788 0.219 1.00 53.10 C ATOM 700 C GLU A 44 7.263 11.260 1.602 1.00 33.31 C ATOM 701 O GLU A 44 7.600 10.090 1.753 1.00 45.55 O ATOM 702 CB GLU A 44 8.071 12.368 -0.563 1.00 10.41 C ATOM 703 CG GLU A 44 8.939 13.420 0.179 1.00 54.13 C ATOM 704 CD GLU A 44 8.189 14.720 0.543 1.00 54.54 C ATOM 705 OE1 GLU A 44 7.989 15.570 -0.343 1.00 10.13 O ATOM 706 OE2 GLU A 44 7.758 14.874 1.708 1.00 2.22 O ATOM 0 H GLU A 44 6.067 13.746 0.121 1.00 64.23 H new ATOM 0 HA GLU A 44 6.454 10.953 -0.364 1.00 53.10 H new ATOM 0 HB2 GLU A 44 8.715 11.537 -0.849 1.00 10.41 H new ATOM 0 HB3 GLU A 44 7.704 12.819 -1.485 1.00 10.41 H new ATOM 0 HG2 GLU A 44 9.330 12.972 1.093 1.00 54.13 H new ATOM 0 HG3 GLU A 44 9.797 13.672 -0.445 1.00 54.13 H new ATOM 713 N LYS A 45 7.184 12.144 2.608 1.00 21.24 N ATOM 714 CA LYS A 45 7.544 11.850 3.998 1.00 73.03 C ATOM 715 C LYS A 45 6.473 10.955 4.644 1.00 73.43 C ATOM 716 O LYS A 45 6.750 10.228 5.610 1.00 41.22 O ATOM 717 CB LYS A 45 7.698 13.190 4.776 1.00 53.21 C ATOM 718 CG LYS A 45 8.521 13.106 6.085 1.00 51.22 C ATOM 719 CD LYS A 45 9.994 12.675 5.864 1.00 35.54 C ATOM 720 CE LYS A 45 10.740 13.543 4.828 1.00 65.41 C ATOM 721 NZ LYS A 45 10.725 14.988 5.178 1.00 54.01 N ATOM 0 H LYS A 45 6.861 13.102 2.472 1.00 21.24 H new ATOM 0 HA LYS A 45 8.491 11.312 4.030 1.00 73.03 H new ATOM 0 HB2 LYS A 45 8.167 13.921 4.118 1.00 53.21 H new ATOM 0 HB3 LYS A 45 6.704 13.568 5.015 1.00 53.21 H new ATOM 0 HG2 LYS A 45 8.505 14.078 6.577 1.00 51.22 H new ATOM 0 HG3 LYS A 45 8.041 12.398 6.761 1.00 51.22 H new ATOM 0 HD2 LYS A 45 10.525 12.722 6.815 1.00 35.54 H new ATOM 0 HD3 LYS A 45 10.015 11.635 5.538 1.00 35.54 H new ATOM 0 HE2 LYS A 45 11.772 13.202 4.750 1.00 65.41 H new ATOM 0 HE3 LYS A 45 10.284 13.405 3.848 1.00 65.41 H new ATOM 0 HZ1 LYS A 45 11.267 15.522 4.470 1.00 54.01 H new ATOM 0 HZ2 LYS A 45 9.743 15.331 5.194 1.00 54.01 H new ATOM 0 HZ3 LYS A 45 11.154 15.122 6.116 1.00 54.01 H new ATOM 735 N GLU A 46 5.248 11.002 4.082 1.00 71.55 N ATOM 736 CA GLU A 46 4.132 10.163 4.522 1.00 14.40 C ATOM 737 C GLU A 46 4.227 8.805 3.813 1.00 34.33 C ATOM 738 O GLU A 46 3.956 7.757 4.414 1.00 53.22 O ATOM 739 CB GLU A 46 2.771 10.851 4.204 1.00 44.30 C ATOM 740 CG GLU A 46 1.589 10.346 5.052 1.00 44.01 C ATOM 741 CD GLU A 46 1.789 10.638 6.549 1.00 11.32 C ATOM 742 OE1 GLU A 46 1.502 11.771 6.984 1.00 12.34 O ATOM 743 OE2 GLU A 46 2.270 9.752 7.289 1.00 13.43 O ATOM 0 H GLU A 46 5.012 11.626 3.310 1.00 71.55 H new ATOM 0 HA GLU A 46 4.187 10.018 5.601 1.00 14.40 H new ATOM 0 HB2 GLU A 46 2.877 11.925 4.354 1.00 44.30 H new ATOM 0 HB3 GLU A 46 2.538 10.698 3.150 1.00 44.30 H new ATOM 0 HG2 GLU A 46 0.669 10.819 4.710 1.00 44.01 H new ATOM 0 HG3 GLU A 46 1.469 9.273 4.905 1.00 44.01 H new ATOM 750 N ALA A 47 4.646 8.862 2.520 1.00 5.12 N ATOM 751 CA ALA A 47 4.861 7.679 1.665 1.00 61.22 C ATOM 752 C ALA A 47 5.797 6.655 2.299 1.00 32.41 C ATOM 753 O ALA A 47 5.563 5.460 2.185 1.00 24.33 O ATOM 754 CB ALA A 47 5.412 8.087 0.291 1.00 62.05 C ATOM 0 H ALA A 47 4.844 9.742 2.044 1.00 5.12 H new ATOM 0 HA ALA A 47 3.884 7.211 1.546 1.00 61.22 H new ATOM 0 HB1 ALA A 47 5.562 7.197 -0.320 1.00 62.05 H new ATOM 0 HB2 ALA A 47 4.703 8.751 -0.203 1.00 62.05 H new ATOM 0 HB3 ALA A 47 6.363 8.603 0.419 1.00 62.05 H new ATOM 760 N GLU A 48 6.839 7.149 2.992 1.00 25.41 N ATOM 761 CA GLU A 48 7.875 6.301 3.610 1.00 74.20 C ATOM 762 C GLU A 48 7.310 5.418 4.733 1.00 65.32 C ATOM 763 O GLU A 48 7.816 4.322 4.964 1.00 51.44 O ATOM 764 CB GLU A 48 9.043 7.179 4.126 1.00 62.24 C ATOM 765 CG GLU A 48 9.721 7.993 3.009 1.00 32.23 C ATOM 766 CD GLU A 48 10.913 8.809 3.499 1.00 41.23 C ATOM 767 OE1 GLU A 48 12.034 8.259 3.557 1.00 35.20 O ATOM 768 OE2 GLU A 48 10.737 9.995 3.849 1.00 43.33 O ATOM 0 H GLU A 48 6.987 8.147 3.139 1.00 25.41 H new ATOM 0 HA GLU A 48 8.252 5.626 2.842 1.00 74.20 H new ATOM 0 HB2 GLU A 48 8.668 7.861 4.889 1.00 62.24 H new ATOM 0 HB3 GLU A 48 9.786 6.541 4.606 1.00 62.24 H new ATOM 0 HG2 GLU A 48 10.052 7.314 2.223 1.00 32.23 H new ATOM 0 HG3 GLU A 48 8.988 8.665 2.562 1.00 32.23 H new ATOM 775 N LYS A 49 6.264 5.909 5.429 1.00 21.04 N ATOM 776 CA LYS A 49 5.572 5.144 6.490 1.00 61.12 C ATOM 777 C LYS A 49 4.603 4.129 5.852 1.00 53.05 C ATOM 778 O LYS A 49 4.492 2.985 6.298 1.00 1.24 O ATOM 779 CB LYS A 49 4.772 6.084 7.433 1.00 31.22 C ATOM 780 CG LYS A 49 5.530 7.331 7.919 1.00 15.32 C ATOM 781 CD LYS A 49 4.720 8.123 8.974 1.00 41.43 C ATOM 782 CE LYS A 49 5.286 9.523 9.243 1.00 4.44 C ATOM 783 NZ LYS A 49 5.152 10.413 8.056 1.00 61.35 N ATOM 0 H LYS A 49 5.877 6.840 5.274 1.00 21.04 H new ATOM 0 HA LYS A 49 6.329 4.624 7.077 1.00 61.12 H new ATOM 0 HB2 LYS A 49 3.869 6.407 6.915 1.00 31.22 H new ATOM 0 HB3 LYS A 49 4.453 5.511 8.304 1.00 31.22 H new ATOM 0 HG2 LYS A 49 6.487 7.031 8.346 1.00 15.32 H new ATOM 0 HG3 LYS A 49 5.749 7.977 7.069 1.00 15.32 H new ATOM 0 HD2 LYS A 49 3.687 8.214 8.637 1.00 41.43 H new ATOM 0 HD3 LYS A 49 4.702 7.560 9.907 1.00 41.43 H new ATOM 0 HE2 LYS A 49 4.766 9.968 10.091 1.00 4.44 H new ATOM 0 HE3 LYS A 49 6.337 9.443 9.520 1.00 4.44 H new ATOM 0 HZ1 LYS A 49 5.370 11.392 8.330 1.00 61.35 H new ATOM 0 HZ2 LYS A 49 5.813 10.105 7.315 1.00 61.35 H new ATOM 0 HZ3 LYS A 49 4.178 10.364 7.693 1.00 61.35 H new ATOM 797 N MET A 50 3.881 4.626 4.828 1.00 42.41 N ATOM 798 CA MET A 50 2.889 3.853 4.052 1.00 61.35 C ATOM 799 C MET A 50 3.508 2.580 3.423 1.00 2.23 C ATOM 800 O MET A 50 3.090 1.459 3.749 1.00 20.13 O ATOM 801 CB MET A 50 2.230 4.748 2.971 1.00 43.34 C ATOM 802 CG MET A 50 1.335 5.868 3.509 1.00 43.12 C ATOM 803 SD MET A 50 0.537 6.800 2.186 1.00 34.32 S ATOM 804 CE MET A 50 -0.580 7.865 3.097 1.00 10.11 C ATOM 0 H MET A 50 3.972 5.591 4.511 1.00 42.41 H new ATOM 0 HA MET A 50 2.116 3.520 4.744 1.00 61.35 H new ATOM 0 HB2 MET A 50 3.017 5.194 2.362 1.00 43.34 H new ATOM 0 HB3 MET A 50 1.636 4.116 2.311 1.00 43.34 H new ATOM 0 HG2 MET A 50 0.573 5.440 4.160 1.00 43.12 H new ATOM 0 HG3 MET A 50 1.932 6.546 4.119 1.00 43.12 H new ATOM 0 HE1 MET A 50 -1.593 7.466 3.038 1.00 10.11 H new ATOM 0 HE2 MET A 50 -0.269 7.911 4.141 1.00 10.11 H new ATOM 0 HE3 MET A 50 -0.559 8.867 2.668 1.00 10.11 H new ATOM 814 N GLU A 51 4.514 2.765 2.545 1.00 71.31 N ATOM 815 CA GLU A 51 5.254 1.652 1.898 1.00 34.03 C ATOM 816 C GLU A 51 5.983 0.750 2.928 1.00 63.41 C ATOM 817 O GLU A 51 6.244 -0.421 2.654 1.00 43.30 O ATOM 818 CB GLU A 51 6.261 2.211 0.857 1.00 42.14 C ATOM 819 CG GLU A 51 7.431 3.009 1.460 1.00 51.53 C ATOM 820 CD GLU A 51 8.375 3.585 0.398 1.00 4.22 C ATOM 821 OE1 GLU A 51 8.073 4.656 -0.165 1.00 12.43 O ATOM 822 OE2 GLU A 51 9.423 2.959 0.116 1.00 44.25 O ATOM 0 H GLU A 51 4.840 3.689 2.261 1.00 71.31 H new ATOM 0 HA GLU A 51 4.520 1.027 1.390 1.00 34.03 H new ATOM 0 HB2 GLU A 51 6.665 1.380 0.280 1.00 42.14 H new ATOM 0 HB3 GLU A 51 5.723 2.852 0.159 1.00 42.14 H new ATOM 0 HG2 GLU A 51 7.034 3.824 2.065 1.00 51.53 H new ATOM 0 HG3 GLU A 51 7.998 2.362 2.129 1.00 51.53 H new ATOM 829 N LYS A 52 6.285 1.311 4.119 1.00 13.42 N ATOM 830 CA LYS A 52 6.901 0.553 5.222 1.00 41.45 C ATOM 831 C LYS A 52 5.863 -0.399 5.839 1.00 71.32 C ATOM 832 O LYS A 52 6.170 -1.561 6.117 1.00 11.54 O ATOM 833 CB LYS A 52 7.476 1.499 6.305 1.00 1.40 C ATOM 834 CG LYS A 52 8.156 0.789 7.510 1.00 34.14 C ATOM 835 CD LYS A 52 9.373 -0.080 7.105 1.00 55.45 C ATOM 836 CE LYS A 52 10.510 0.745 6.481 1.00 22.44 C ATOM 837 NZ LYS A 52 11.043 1.765 7.419 1.00 23.42 N ATOM 0 H LYS A 52 6.110 2.292 4.338 1.00 13.42 H new ATOM 0 HA LYS A 52 7.730 -0.028 4.818 1.00 41.45 H new ATOM 0 HB2 LYS A 52 8.203 2.162 5.837 1.00 1.40 H new ATOM 0 HB3 LYS A 52 6.669 2.127 6.682 1.00 1.40 H new ATOM 0 HG2 LYS A 52 8.479 1.541 8.230 1.00 34.14 H new ATOM 0 HG3 LYS A 52 7.422 0.160 8.014 1.00 34.14 H new ATOM 0 HD2 LYS A 52 9.749 -0.603 7.984 1.00 55.45 H new ATOM 0 HD3 LYS A 52 9.050 -0.841 6.395 1.00 55.45 H new ATOM 0 HE2 LYS A 52 11.316 0.077 6.176 1.00 22.44 H new ATOM 0 HE3 LYS A 52 10.146 1.238 5.579 1.00 22.44 H new ATOM 0 HZ1 LYS A 52 11.892 2.204 7.009 1.00 23.42 H new ATOM 0 HZ2 LYS A 52 10.321 2.495 7.584 1.00 23.42 H new ATOM 0 HZ3 LYS A 52 11.290 1.311 8.322 1.00 23.42 H new ATOM 851 N ALA A 53 4.628 0.115 6.009 1.00 41.24 N ATOM 852 CA ALA A 53 3.502 -0.635 6.588 1.00 22.23 C ATOM 853 C ALA A 53 3.122 -1.824 5.683 1.00 52.21 C ATOM 854 O ALA A 53 2.714 -2.881 6.174 1.00 51.20 O ATOM 855 CB ALA A 53 2.304 0.304 6.815 1.00 65.41 C ATOM 0 H ALA A 53 4.385 1.070 5.745 1.00 41.24 H new ATOM 0 HA ALA A 53 3.803 -1.039 7.554 1.00 22.23 H new ATOM 0 HB1 ALA A 53 1.476 -0.260 7.244 1.00 65.41 H new ATOM 0 HB2 ALA A 53 2.592 1.102 7.499 1.00 65.41 H new ATOM 0 HB3 ALA A 53 1.995 0.736 5.863 1.00 65.41 H new ATOM 861 N VAL A 54 3.266 -1.624 4.357 1.00 23.10 N ATOM 862 CA VAL A 54 3.167 -2.700 3.352 1.00 12.43 C ATOM 863 C VAL A 54 4.203 -3.822 3.614 1.00 12.13 C ATOM 864 O VAL A 54 3.834 -4.996 3.733 1.00 5.04 O ATOM 865 CB VAL A 54 3.386 -2.122 1.906 1.00 21.43 C ATOM 866 CG1 VAL A 54 3.373 -3.236 0.838 1.00 51.33 C ATOM 867 CG2 VAL A 54 2.350 -1.019 1.584 1.00 5.25 C ATOM 0 H VAL A 54 3.455 -0.707 3.952 1.00 23.10 H new ATOM 0 HA VAL A 54 2.167 -3.126 3.431 1.00 12.43 H new ATOM 0 HB VAL A 54 4.376 -1.666 1.883 1.00 21.43 H new ATOM 0 HG11 VAL A 54 3.527 -2.797 -0.148 1.00 51.33 H new ATOM 0 HG12 VAL A 54 4.170 -3.949 1.046 1.00 51.33 H new ATOM 0 HG13 VAL A 54 2.412 -3.750 0.860 1.00 51.33 H new ATOM 0 HG21 VAL A 54 2.525 -0.638 0.578 1.00 5.25 H new ATOM 0 HG22 VAL A 54 1.345 -1.436 1.644 1.00 5.25 H new ATOM 0 HG23 VAL A 54 2.449 -0.206 2.303 1.00 5.25 H new ATOM 877 N LYS A 55 5.498 -3.430 3.702 1.00 12.33 N ATOM 878 CA LYS A 55 6.624 -4.368 3.941 1.00 25.01 C ATOM 879 C LYS A 55 6.447 -5.161 5.255 1.00 71.42 C ATOM 880 O LYS A 55 6.936 -6.291 5.369 1.00 24.32 O ATOM 881 CB LYS A 55 7.981 -3.612 3.946 1.00 41.51 C ATOM 882 CG LYS A 55 8.317 -2.902 2.618 1.00 60.42 C ATOM 883 CD LYS A 55 9.674 -2.156 2.671 1.00 12.55 C ATOM 884 CE LYS A 55 9.980 -1.372 1.383 1.00 62.31 C ATOM 885 NZ LYS A 55 11.312 -0.706 1.430 1.00 0.41 N ATOM 0 H LYS A 55 5.791 -2.457 3.610 1.00 12.33 H new ATOM 0 HA LYS A 55 6.623 -5.085 3.120 1.00 25.01 H new ATOM 0 HB2 LYS A 55 7.969 -2.873 4.747 1.00 41.51 H new ATOM 0 HB3 LYS A 55 8.777 -4.320 4.178 1.00 41.51 H new ATOM 0 HG2 LYS A 55 8.341 -3.636 1.813 1.00 60.42 H new ATOM 0 HG3 LYS A 55 7.525 -2.192 2.379 1.00 60.42 H new ATOM 0 HD2 LYS A 55 9.671 -1.468 3.516 1.00 12.55 H new ATOM 0 HD3 LYS A 55 10.472 -2.877 2.849 1.00 12.55 H new ATOM 0 HE2 LYS A 55 9.945 -2.050 0.530 1.00 62.31 H new ATOM 0 HE3 LYS A 55 9.206 -0.621 1.225 1.00 62.31 H new ATOM 0 HZ1 LYS A 55 11.474 -0.191 0.541 1.00 0.41 H new ATOM 0 HZ2 LYS A 55 11.339 -0.039 2.227 1.00 0.41 H new ATOM 0 HZ3 LYS A 55 12.055 -1.423 1.554 1.00 0.41 H new ATOM 899 N LYS A 56 5.738 -4.555 6.233 1.00 34.22 N ATOM 900 CA LYS A 56 5.399 -5.205 7.518 1.00 3.31 C ATOM 901 C LYS A 56 4.476 -6.418 7.302 1.00 24.41 C ATOM 902 O LYS A 56 4.609 -7.435 7.980 1.00 3.53 O ATOM 903 CB LYS A 56 4.704 -4.191 8.477 1.00 35.01 C ATOM 904 CG LYS A 56 5.593 -3.008 8.917 1.00 42.00 C ATOM 905 CD LYS A 56 6.812 -3.439 9.762 1.00 45.02 C ATOM 906 CE LYS A 56 6.401 -4.089 11.098 1.00 63.23 C ATOM 907 NZ LYS A 56 7.581 -4.465 11.925 1.00 15.24 N ATOM 0 H LYS A 56 5.385 -3.601 6.153 1.00 34.22 H new ATOM 0 HA LYS A 56 6.330 -5.549 7.967 1.00 3.31 H new ATOM 0 HB2 LYS A 56 3.815 -3.797 7.985 1.00 35.01 H new ATOM 0 HB3 LYS A 56 4.366 -4.725 9.365 1.00 35.01 H new ATOM 0 HG2 LYS A 56 5.943 -2.477 8.032 1.00 42.00 H new ATOM 0 HG3 LYS A 56 4.991 -2.305 9.493 1.00 42.00 H new ATOM 0 HD2 LYS A 56 7.417 -4.142 9.190 1.00 45.02 H new ATOM 0 HD3 LYS A 56 7.438 -2.569 9.962 1.00 45.02 H new ATOM 0 HE2 LYS A 56 5.772 -3.398 11.658 1.00 63.23 H new ATOM 0 HE3 LYS A 56 5.801 -4.977 10.899 1.00 63.23 H new ATOM 0 HZ1 LYS A 56 7.258 -4.898 12.814 1.00 15.24 H new ATOM 0 HZ2 LYS A 56 8.169 -5.145 11.402 1.00 15.24 H new ATOM 0 HZ3 LYS A 56 8.141 -3.615 12.138 1.00 15.24 H new ATOM 921 N VAL A 57 3.536 -6.276 6.360 1.00 42.52 N ATOM 922 CA VAL A 57 2.531 -7.303 6.031 1.00 61.42 C ATOM 923 C VAL A 57 3.098 -8.335 5.027 1.00 35.10 C ATOM 924 O VAL A 57 2.699 -9.509 5.032 1.00 31.44 O ATOM 925 CB VAL A 57 1.245 -6.629 5.421 1.00 10.35 C ATOM 926 CG1 VAL A 57 0.173 -7.672 5.042 1.00 52.40 C ATOM 927 CG2 VAL A 57 0.661 -5.561 6.376 1.00 51.44 C ATOM 0 H VAL A 57 3.448 -5.432 5.794 1.00 42.52 H new ATOM 0 HA VAL A 57 2.268 -7.822 6.953 1.00 61.42 H new ATOM 0 HB VAL A 57 1.554 -6.129 4.503 1.00 10.35 H new ATOM 0 HG11 VAL A 57 -0.697 -7.165 4.625 1.00 52.40 H new ATOM 0 HG12 VAL A 57 0.581 -8.360 4.302 1.00 52.40 H new ATOM 0 HG13 VAL A 57 -0.123 -8.229 5.931 1.00 52.40 H new ATOM 0 HG21 VAL A 57 -0.226 -5.115 5.925 1.00 51.44 H new ATOM 0 HG22 VAL A 57 0.390 -6.028 7.323 1.00 51.44 H new ATOM 0 HG23 VAL A 57 1.406 -4.786 6.554 1.00 51.44 H new ATOM 937 N LYS A 58 4.050 -7.891 4.192 1.00 1.21 N ATOM 938 CA LYS A 58 4.574 -8.699 3.083 1.00 53.05 C ATOM 939 C LYS A 58 6.066 -8.348 2.826 1.00 40.02 C ATOM 940 O LYS A 58 6.371 -7.299 2.250 1.00 71.54 O ATOM 941 CB LYS A 58 3.681 -8.555 1.808 1.00 51.00 C ATOM 942 CG LYS A 58 3.434 -7.128 1.277 1.00 74.32 C ATOM 943 CD LYS A 58 2.575 -7.076 -0.024 1.00 72.53 C ATOM 944 CE LYS A 58 3.308 -7.537 -1.300 1.00 30.22 C ATOM 945 NZ LYS A 58 3.659 -8.985 -1.316 1.00 1.50 N ATOM 0 H LYS A 58 4.475 -6.967 4.267 1.00 1.21 H new ATOM 0 HA LYS A 58 4.535 -9.753 3.357 1.00 53.05 H new ATOM 0 HB2 LYS A 58 4.137 -9.139 1.008 1.00 51.00 H new ATOM 0 HB3 LYS A 58 2.713 -9.008 2.021 1.00 51.00 H new ATOM 0 HG2 LYS A 58 2.937 -6.544 2.052 1.00 74.32 H new ATOM 0 HG3 LYS A 58 4.395 -6.651 1.085 1.00 74.32 H new ATOM 0 HD2 LYS A 58 1.691 -7.698 0.116 1.00 72.53 H new ATOM 0 HD3 LYS A 58 2.225 -6.054 -0.171 1.00 72.53 H new ATOM 0 HE2 LYS A 58 2.681 -7.317 -2.164 1.00 30.22 H new ATOM 0 HE3 LYS A 58 4.221 -6.952 -1.412 1.00 30.22 H new ATOM 0 HZ1 LYS A 58 4.688 -9.094 -1.210 1.00 1.50 H new ATOM 0 HZ2 LYS A 58 3.177 -9.468 -0.531 1.00 1.50 H new ATOM 0 HZ3 LYS A 58 3.358 -9.405 -2.218 1.00 1.50 H new ATOM 959 N PRO A 59 7.032 -9.217 3.295 1.00 4.44 N ATOM 960 CA PRO A 59 8.500 -8.979 3.140 1.00 61.31 C ATOM 961 C PRO A 59 8.963 -8.925 1.667 1.00 74.53 C ATOM 962 O PRO A 59 9.946 -8.247 1.336 1.00 44.45 O ATOM 963 CB PRO A 59 9.150 -10.189 3.879 1.00 75.03 C ATOM 964 CG PRO A 59 8.075 -10.709 4.784 1.00 4.01 C ATOM 965 CD PRO A 59 6.778 -10.487 4.035 1.00 21.34 C ATOM 0 HA PRO A 59 8.786 -8.008 3.545 1.00 61.31 H new ATOM 0 HB2 PRO A 59 9.477 -10.953 3.174 1.00 75.03 H new ATOM 0 HB3 PRO A 59 10.029 -9.881 4.445 1.00 75.03 H new ATOM 0 HG2 PRO A 59 8.225 -11.766 5.006 1.00 4.01 H new ATOM 0 HG3 PRO A 59 8.074 -10.180 5.737 1.00 4.01 H new ATOM 0 HD2 PRO A 59 6.557 -11.312 3.357 1.00 21.34 H new ATOM 0 HD3 PRO A 59 5.930 -10.396 4.714 1.00 21.34 H new ATOM 973 N ASN A 60 8.234 -9.635 0.787 1.00 4.02 N ATOM 974 CA ASN A 60 8.584 -9.768 -0.642 1.00 52.32 C ATOM 975 C ASN A 60 7.984 -8.622 -1.487 1.00 54.11 C ATOM 976 O ASN A 60 7.953 -8.714 -2.716 1.00 13.40 O ATOM 977 CB ASN A 60 8.111 -11.145 -1.175 1.00 22.32 C ATOM 978 CG ASN A 60 8.800 -12.327 -0.487 1.00 42.41 C ATOM 979 OD1 ASN A 60 8.978 -12.346 0.736 1.00 34.11 O ATOM 980 ND2 ASN A 60 9.234 -13.303 -1.260 1.00 25.54 N ATOM 0 H ASN A 60 7.383 -10.135 1.046 1.00 4.02 H new ATOM 0 HA ASN A 60 9.668 -9.702 -0.731 1.00 52.32 H new ATOM 0 HB2 ASN A 60 7.033 -11.230 -1.037 1.00 22.32 H new ATOM 0 HB3 ASN A 60 8.300 -11.197 -2.247 1.00 22.32 H new ATOM 0 HD21 ASN A 60 9.729 -14.096 -0.851 1.00 25.54 H new ATOM 0 HD22 ASN A 60 9.075 -13.265 -2.267 1.00 25.54 H new ATOM 987 N ALA A 61 7.522 -7.545 -0.815 1.00 11.41 N ATOM 988 CA ALA A 61 6.879 -6.381 -1.458 1.00 71.25 C ATOM 989 C ALA A 61 7.794 -5.685 -2.486 1.00 54.03 C ATOM 990 O ALA A 61 8.853 -5.163 -2.128 1.00 34.24 O ATOM 991 CB ALA A 61 6.435 -5.367 -0.384 1.00 43.31 C ATOM 0 H ALA A 61 7.586 -7.460 0.199 1.00 11.41 H new ATOM 0 HA ALA A 61 6.012 -6.756 -2.002 1.00 71.25 H new ATOM 0 HB1 ALA A 61 5.962 -4.511 -0.865 1.00 43.31 H new ATOM 0 HB2 ALA A 61 5.725 -5.842 0.293 1.00 43.31 H new ATOM 0 HB3 ALA A 61 7.305 -5.031 0.180 1.00 43.31 H new ATOM 997 N THR A 62 7.379 -5.704 -3.762 1.00 73.34 N ATOM 998 CA THR A 62 7.989 -4.886 -4.818 1.00 42.24 C ATOM 999 C THR A 62 7.100 -3.647 -5.010 1.00 22.14 C ATOM 1000 O THR A 62 6.023 -3.719 -5.618 1.00 22.11 O ATOM 1001 CB THR A 62 8.128 -5.694 -6.151 1.00 22.05 C ATOM 1002 OG1 THR A 62 8.877 -6.896 -5.896 1.00 31.23 O ATOM 1003 CG2 THR A 62 8.824 -4.879 -7.265 1.00 34.41 C ATOM 0 H THR A 62 6.610 -6.288 -4.090 1.00 73.34 H new ATOM 0 HA THR A 62 8.997 -4.588 -4.531 1.00 42.24 H new ATOM 0 HB THR A 62 7.124 -5.931 -6.502 1.00 22.05 H new ATOM 0 HG1 THR A 62 8.966 -7.408 -6.727 1.00 31.23 H new ATOM 0 HG21 THR A 62 8.896 -5.485 -8.168 1.00 34.41 H new ATOM 0 HG22 THR A 62 8.243 -3.981 -7.475 1.00 34.41 H new ATOM 0 HG23 THR A 62 9.824 -4.596 -6.938 1.00 34.41 H new ATOM 1011 N ILE A 63 7.552 -2.514 -4.440 1.00 4.24 N ATOM 1012 CA ILE A 63 6.785 -1.263 -4.404 1.00 51.54 C ATOM 1013 C ILE A 63 7.285 -0.340 -5.522 1.00 22.41 C ATOM 1014 O ILE A 63 8.440 0.090 -5.525 1.00 52.13 O ATOM 1015 CB ILE A 63 6.909 -0.585 -2.984 1.00 41.11 C ATOM 1016 CG1 ILE A 63 6.432 -1.597 -1.888 1.00 65.53 C ATOM 1017 CG2 ILE A 63 6.104 0.745 -2.913 1.00 23.41 C ATOM 1018 CD1 ILE A 63 6.741 -1.203 -0.465 1.00 22.13 C ATOM 0 H ILE A 63 8.465 -2.445 -3.990 1.00 4.24 H new ATOM 0 HA ILE A 63 5.727 -1.467 -4.571 1.00 51.54 H new ATOM 0 HB ILE A 63 7.953 -0.329 -2.805 1.00 41.11 H new ATOM 0 HG12 ILE A 63 5.354 -1.730 -1.984 1.00 65.53 H new ATOM 0 HG13 ILE A 63 6.891 -2.565 -2.087 1.00 65.53 H new ATOM 0 HG21 ILE A 63 6.213 1.184 -1.921 1.00 23.41 H new ATOM 0 HG22 ILE A 63 6.484 1.441 -3.661 1.00 23.41 H new ATOM 0 HG23 ILE A 63 5.051 0.543 -3.107 1.00 23.41 H new ATOM 0 HD11 ILE A 63 6.369 -1.970 0.214 1.00 22.13 H new ATOM 0 HD12 ILE A 63 7.819 -1.101 -0.342 1.00 22.13 H new ATOM 0 HD13 ILE A 63 6.258 -0.253 -0.238 1.00 22.13 H new ATOM 1030 N ARG A 64 6.387 -0.057 -6.468 1.00 12.44 N ATOM 1031 CA ARG A 64 6.691 0.714 -7.676 1.00 24.11 C ATOM 1032 C ARG A 64 6.430 2.198 -7.386 1.00 10.11 C ATOM 1033 O ARG A 64 5.282 2.624 -7.227 1.00 65.45 O ATOM 1034 CB ARG A 64 5.856 0.165 -8.875 1.00 41.41 C ATOM 1035 CG ARG A 64 6.114 -1.346 -9.144 1.00 13.13 C ATOM 1036 CD ARG A 64 5.533 -1.851 -10.473 1.00 72.02 C ATOM 1037 NE ARG A 64 4.062 -1.922 -10.485 1.00 33.12 N ATOM 1038 CZ ARG A 64 3.295 -1.718 -11.574 1.00 33.24 C ATOM 1039 NH1 ARG A 64 3.834 -1.410 -12.758 1.00 33.43 N ATOM 1040 NH2 ARG A 64 1.989 -1.891 -11.491 1.00 2.02 N ATOM 0 H ARG A 64 5.415 -0.361 -6.416 1.00 12.44 H new ATOM 0 HA ARG A 64 7.739 0.612 -7.958 1.00 24.11 H new ATOM 0 HB2 ARG A 64 4.796 0.318 -8.675 1.00 41.41 H new ATOM 0 HB3 ARG A 64 6.097 0.736 -9.772 1.00 41.41 H new ATOM 0 HG2 ARG A 64 7.189 -1.528 -9.137 1.00 13.13 H new ATOM 0 HG3 ARG A 64 5.687 -1.928 -8.328 1.00 13.13 H new ATOM 0 HD2 ARG A 64 5.863 -1.194 -11.277 1.00 72.02 H new ATOM 0 HD3 ARG A 64 5.938 -2.841 -10.684 1.00 72.02 H new ATOM 0 HE ARG A 64 3.591 -2.141 -9.607 1.00 33.12 H new ATOM 0 HH11 ARG A 64 4.846 -1.325 -12.851 1.00 33.43 H new ATOM 0 HH12 ARG A 64 3.233 -1.260 -13.568 1.00 33.43 H new ATOM 0 HH21 ARG A 64 1.568 -2.177 -10.607 1.00 2.02 H new ATOM 0 HH22 ARG A 64 1.401 -1.739 -12.311 1.00 2.02 H new ATOM 1054 N LYS A 65 7.529 2.957 -7.289 1.00 44.43 N ATOM 1055 CA LYS A 65 7.553 4.317 -6.756 1.00 42.00 C ATOM 1056 C LYS A 65 7.623 5.330 -7.904 1.00 52.25 C ATOM 1057 O LYS A 65 8.660 5.454 -8.573 1.00 2.10 O ATOM 1058 CB LYS A 65 8.791 4.452 -5.824 1.00 20.32 C ATOM 1059 CG LYS A 65 8.922 5.788 -5.058 1.00 14.02 C ATOM 1060 CD LYS A 65 7.733 6.058 -4.108 1.00 11.55 C ATOM 1061 CE LYS A 65 8.071 7.077 -3.012 1.00 10.05 C ATOM 1062 NZ LYS A 65 9.137 6.577 -2.104 1.00 72.13 N ATOM 0 H LYS A 65 8.448 2.630 -7.588 1.00 44.43 H new ATOM 0 HA LYS A 65 6.644 4.519 -6.189 1.00 42.00 H new ATOM 0 HB2 LYS A 65 8.763 3.641 -5.097 1.00 20.32 H new ATOM 0 HB3 LYS A 65 9.690 4.311 -6.424 1.00 20.32 H new ATOM 0 HG2 LYS A 65 9.847 5.781 -4.481 1.00 14.02 H new ATOM 0 HG3 LYS A 65 9.000 6.605 -5.775 1.00 14.02 H new ATOM 0 HD2 LYS A 65 6.885 6.422 -4.688 1.00 11.55 H new ATOM 0 HD3 LYS A 65 7.423 5.121 -3.645 1.00 11.55 H new ATOM 0 HE2 LYS A 65 8.393 8.012 -3.471 1.00 10.05 H new ATOM 0 HE3 LYS A 65 7.175 7.299 -2.433 1.00 10.05 H new ATOM 0 HZ1 LYS A 65 9.255 7.238 -1.310 1.00 72.13 H new ATOM 0 HZ2 LYS A 65 8.870 5.641 -1.738 1.00 72.13 H new ATOM 0 HZ3 LYS A 65 10.032 6.502 -2.628 1.00 72.13 H new ATOM 1076 N THR A 66 6.507 6.023 -8.156 1.00 61.13 N ATOM 1077 CA THR A 66 6.446 7.129 -9.135 1.00 54.54 C ATOM 1078 C THR A 66 5.761 8.357 -8.500 1.00 31.00 C ATOM 1079 O THR A 66 5.541 8.395 -7.280 1.00 23.25 O ATOM 1080 CB THR A 66 5.718 6.685 -10.460 1.00 52.51 C ATOM 1081 OG1 THR A 66 4.415 6.166 -10.177 1.00 55.40 O ATOM 1082 CG2 THR A 66 6.520 5.633 -11.252 1.00 40.14 C ATOM 0 H THR A 66 5.618 5.838 -7.691 1.00 61.13 H new ATOM 0 HA THR A 66 7.464 7.405 -9.409 1.00 54.54 H new ATOM 0 HB THR A 66 5.634 7.580 -11.076 1.00 52.51 H new ATOM 0 HG1 THR A 66 3.981 5.898 -11.014 1.00 55.40 H new ATOM 0 HG21 THR A 66 5.973 5.363 -12.155 1.00 40.14 H new ATOM 0 HG22 THR A 66 7.491 6.046 -11.526 1.00 40.14 H new ATOM 0 HG23 THR A 66 6.664 4.746 -10.636 1.00 40.14 H new ATOM 1090 N GLY A 67 5.465 9.377 -9.332 1.00 34.22 N ATOM 1091 CA GLY A 67 4.791 10.591 -8.879 1.00 43.24 C ATOM 1092 C GLY A 67 3.682 10.994 -9.825 1.00 14.52 C ATOM 1093 O GLY A 67 2.506 10.925 -9.464 1.00 21.45 O ATOM 0 H GLY A 67 5.688 9.374 -10.327 1.00 34.22 H new ATOM 0 HA2 GLY A 67 4.380 10.430 -7.882 1.00 43.24 H new ATOM 0 HA3 GLY A 67 5.515 11.402 -8.798 1.00 43.24 H new ATOM 1097 N GLY A 68 4.065 11.408 -11.044 1.00 23.31 N ATOM 1098 CA GLY A 68 3.109 11.783 -12.089 1.00 4.22 C ATOM 1099 C GLY A 68 2.454 13.135 -11.824 1.00 11.22 C ATOM 1100 O GLY A 68 2.911 14.161 -12.345 1.00 24.34 O ATOM 0 H GLY A 68 5.041 11.491 -11.328 1.00 23.31 H new ATOM 0 HA2 GLY A 68 3.621 11.813 -13.051 1.00 4.22 H new ATOM 0 HA3 GLY A 68 2.337 11.017 -12.162 1.00 4.22 H new ATOM 1104 N SER A 69 1.400 13.127 -10.987 1.00 71.24 N ATOM 1105 CA SER A 69 0.610 14.319 -10.652 1.00 24.52 C ATOM 1106 C SER A 69 1.450 15.347 -9.864 1.00 54.55 C ATOM 1107 O SER A 69 1.874 15.074 -8.734 1.00 61.11 O ATOM 1108 CB SER A 69 -0.637 13.905 -9.832 1.00 63.32 C ATOM 1109 OG SER A 69 -1.456 15.019 -9.518 1.00 32.23 O ATOM 0 H SER A 69 1.072 12.281 -10.521 1.00 71.24 H new ATOM 0 HA SER A 69 0.293 14.792 -11.582 1.00 24.52 H new ATOM 0 HB2 SER A 69 -1.217 13.175 -10.397 1.00 63.32 H new ATOM 0 HB3 SER A 69 -0.320 13.416 -8.911 1.00 63.32 H new ATOM 0 HG SER A 69 -2.233 14.719 -9.002 1.00 32.23 H new ATOM 1115 N LEU A 70 1.694 16.520 -10.475 1.00 63.31 N ATOM 1116 CA LEU A 70 2.355 17.660 -9.819 1.00 43.43 C ATOM 1117 C LEU A 70 1.299 18.461 -9.025 1.00 21.03 C ATOM 1118 O LEU A 70 0.931 19.578 -9.395 1.00 3.15 O ATOM 1119 CB LEU A 70 3.090 18.558 -10.868 1.00 32.13 C ATOM 1120 CG LEU A 70 4.212 17.867 -11.712 1.00 4.43 C ATOM 1121 CD1 LEU A 70 4.799 18.838 -12.763 1.00 33.53 C ATOM 1122 CD2 LEU A 70 5.326 17.293 -10.811 1.00 72.20 C ATOM 0 H LEU A 70 1.436 16.704 -11.445 1.00 63.31 H new ATOM 0 HA LEU A 70 3.115 17.295 -9.128 1.00 43.43 H new ATOM 0 HB2 LEU A 70 2.345 18.961 -11.555 1.00 32.13 H new ATOM 0 HB3 LEU A 70 3.531 19.406 -10.343 1.00 32.13 H new ATOM 0 HG LEU A 70 3.752 17.033 -12.242 1.00 4.43 H new ATOM 0 HD11 LEU A 70 5.576 18.330 -13.334 1.00 33.53 H new ATOM 0 HD12 LEU A 70 4.008 19.165 -13.438 1.00 33.53 H new ATOM 0 HD13 LEU A 70 5.227 19.704 -12.259 1.00 33.53 H new ATOM 0 HD21 LEU A 70 6.088 16.821 -11.431 1.00 72.20 H new ATOM 0 HD22 LEU A 70 5.777 18.099 -10.232 1.00 72.20 H new ATOM 0 HD23 LEU A 70 4.900 16.553 -10.133 1.00 72.20 H new ATOM 1134 N GLU A 71 0.795 17.830 -7.954 1.00 12.32 N ATOM 1135 CA GLU A 71 -0.305 18.351 -7.123 1.00 73.22 C ATOM 1136 C GLU A 71 0.142 19.551 -6.288 1.00 51.04 C ATOM 1137 O GLU A 71 -0.329 20.665 -6.506 1.00 42.32 O ATOM 1138 CB GLU A 71 -0.828 17.215 -6.212 1.00 2.54 C ATOM 1139 CG GLU A 71 -1.788 17.619 -5.071 1.00 21.10 C ATOM 1140 CD GLU A 71 -2.055 16.467 -4.094 1.00 22.25 C ATOM 1141 OE1 GLU A 71 -1.083 15.949 -3.503 1.00 3.35 O ATOM 1142 OE2 GLU A 71 -3.220 16.051 -3.929 1.00 11.14 O ATOM 0 H GLU A 71 1.145 16.927 -7.634 1.00 12.32 H new ATOM 0 HA GLU A 71 -1.106 18.697 -7.776 1.00 73.22 H new ATOM 0 HB2 GLU A 71 -1.337 16.484 -6.840 1.00 2.54 H new ATOM 0 HB3 GLU A 71 0.032 16.712 -5.770 1.00 2.54 H new ATOM 0 HG2 GLU A 71 -1.365 18.463 -4.526 1.00 21.10 H new ATOM 0 HG3 GLU A 71 -2.733 17.956 -5.497 1.00 21.10 H new ATOM 1149 N HIS A 72 1.047 19.308 -5.325 1.00 30.25 N ATOM 1150 CA HIS A 72 1.492 20.320 -4.361 1.00 63.22 C ATOM 1151 C HIS A 72 2.819 20.928 -4.832 1.00 63.51 C ATOM 1152 O HIS A 72 3.910 20.517 -4.398 1.00 73.30 O ATOM 1153 CB HIS A 72 1.605 19.691 -2.947 1.00 50.35 C ATOM 1154 CG HIS A 72 2.031 20.654 -1.871 1.00 43.44 C ATOM 1155 ND1 HIS A 72 3.351 20.860 -1.534 1.00 73.35 N ATOM 1156 CD2 HIS A 72 1.316 21.484 -1.070 1.00 43.11 C ATOM 1157 CE1 HIS A 72 3.431 21.765 -0.586 1.00 24.21 C ATOM 1158 NE2 HIS A 72 2.213 22.156 -0.285 1.00 43.11 N ATOM 0 H HIS A 72 1.491 18.399 -5.196 1.00 30.25 H new ATOM 0 HA HIS A 72 0.760 21.126 -4.300 1.00 63.22 H new ATOM 0 HB2 HIS A 72 0.640 19.264 -2.674 1.00 50.35 H new ATOM 0 HB3 HIS A 72 2.319 18.868 -2.985 1.00 50.35 H new ATOM 0 HD2 HIS A 72 0.242 21.593 -1.055 1.00 43.11 H new ATOM 0 HE1 HIS A 72 4.342 22.126 -0.132 1.00 24.21 H new ATOM 0 HE2 HIS A 72 1.974 22.851 0.422 1.00 43.11 H new ATOM 1167 N HIS A 73 2.721 21.856 -5.793 1.00 33.14 N ATOM 1168 CA HIS A 73 3.873 22.574 -6.356 1.00 4.05 C ATOM 1169 C HIS A 73 3.539 24.074 -6.464 1.00 52.50 C ATOM 1170 O HIS A 73 3.880 24.843 -5.559 1.00 75.12 O ATOM 1171 CB HIS A 73 4.296 21.969 -7.735 1.00 43.44 C ATOM 1172 CG HIS A 73 5.001 20.643 -7.658 1.00 52.12 C ATOM 1173 ND1 HIS A 73 6.356 20.504 -7.856 1.00 1.34 N ATOM 1174 CD2 HIS A 73 4.540 19.399 -7.393 1.00 54.13 C ATOM 1175 CE1 HIS A 73 6.691 19.242 -7.712 1.00 33.04 C ATOM 1176 NE2 HIS A 73 5.611 18.554 -7.431 1.00 40.53 N ATOM 0 H HIS A 73 1.830 22.133 -6.206 1.00 33.14 H new ATOM 0 HA HIS A 73 4.728 22.459 -5.690 1.00 4.05 H new ATOM 0 HB2 HIS A 73 3.405 21.855 -8.353 1.00 43.44 H new ATOM 0 HB3 HIS A 73 4.947 22.681 -8.243 1.00 43.44 H new ATOM 0 HD2 HIS A 73 3.515 19.126 -7.189 1.00 54.13 H new ATOM 0 HE1 HIS A 73 7.688 18.839 -7.809 1.00 33.04 H new ATOM 0 HE2 HIS A 73 5.577 17.548 -7.267 1.00 40.53 H new ATOM 1185 N HIS A 74 2.850 24.477 -7.558 1.00 43.14 N ATOM 1186 CA HIS A 74 2.493 25.889 -7.824 1.00 42.50 C ATOM 1187 C HIS A 74 1.616 25.997 -9.083 1.00 11.01 C ATOM 1188 O HIS A 74 1.867 25.320 -10.091 1.00 25.41 O ATOM 1189 CB HIS A 74 3.758 26.797 -7.985 1.00 41.24 C ATOM 1190 CG HIS A 74 4.703 26.409 -9.103 1.00 34.31 C ATOM 1191 ND1 HIS A 74 5.162 27.294 -10.053 1.00 33.10 N ATOM 1192 CD2 HIS A 74 5.315 25.232 -9.388 1.00 11.25 C ATOM 1193 CE1 HIS A 74 5.998 26.680 -10.860 1.00 25.52 C ATOM 1194 NE2 HIS A 74 6.108 25.431 -10.474 1.00 40.24 N ATOM 0 H HIS A 74 2.527 23.832 -8.279 1.00 43.14 H new ATOM 0 HA HIS A 74 1.934 26.243 -6.958 1.00 42.50 H new ATOM 0 HB2 HIS A 74 3.428 27.823 -8.151 1.00 41.24 H new ATOM 0 HB3 HIS A 74 4.311 26.788 -7.046 1.00 41.24 H new ATOM 0 HD2 HIS A 74 5.194 24.304 -8.849 1.00 11.25 H new ATOM 0 HE1 HIS A 74 6.509 27.128 -11.700 1.00 25.52 H new ATOM 0 HE2 HIS A 74 6.694 24.723 -10.917 1.00 40.24 H new ATOM 1203 N HIS A 75 0.588 26.850 -9.000 1.00 52.00 N ATOM 1204 CA HIS A 75 -0.267 27.233 -10.135 1.00 55.20 C ATOM 1205 C HIS A 75 0.528 28.186 -11.054 1.00 54.31 C ATOM 1206 O HIS A 75 0.795 29.331 -10.678 1.00 62.00 O ATOM 1207 CB HIS A 75 -1.559 27.905 -9.590 1.00 14.11 C ATOM 1208 CG HIS A 75 -2.558 28.374 -10.625 1.00 54.52 C ATOM 1209 ND1 HIS A 75 -3.647 27.627 -11.026 1.00 32.45 N ATOM 1210 CD2 HIS A 75 -2.647 29.540 -11.309 1.00 72.33 C ATOM 1211 CE1 HIS A 75 -4.353 28.311 -11.904 1.00 51.02 C ATOM 1212 NE2 HIS A 75 -3.766 29.473 -12.090 1.00 73.04 N ATOM 0 H HIS A 75 0.320 27.303 -8.126 1.00 52.00 H new ATOM 0 HA HIS A 75 -0.560 26.360 -10.718 1.00 55.20 H new ATOM 0 HB2 HIS A 75 -2.059 27.198 -8.927 1.00 14.11 H new ATOM 0 HB3 HIS A 75 -1.269 28.762 -8.982 1.00 14.11 H new ATOM 0 HD2 HIS A 75 -1.959 30.370 -11.248 1.00 72.33 H new ATOM 0 HE1 HIS A 75 -5.258 27.975 -12.388 1.00 51.02 H new ATOM 0 HE2 HIS A 75 -4.094 30.207 -12.717 1.00 73.04 H new ATOM 1221 N HIS A 76 0.915 27.690 -12.244 1.00 34.24 N ATOM 1222 CA HIS A 76 1.773 28.429 -13.201 1.00 74.05 C ATOM 1223 C HIS A 76 1.081 28.557 -14.566 1.00 31.13 C ATOM 1224 O HIS A 76 0.452 27.605 -15.047 1.00 42.15 O ATOM 1225 CB HIS A 76 3.151 27.727 -13.359 1.00 21.22 C ATOM 1226 CG HIS A 76 3.088 26.342 -13.946 1.00 3.12 C ATOM 1227 ND1 HIS A 76 3.152 26.099 -15.304 1.00 20.43 N ATOM 1228 CD2 HIS A 76 2.948 25.127 -13.362 1.00 11.24 C ATOM 1229 CE1 HIS A 76 3.053 24.810 -15.525 1.00 14.44 C ATOM 1230 NE2 HIS A 76 2.931 24.198 -14.365 1.00 45.11 N ATOM 0 H HIS A 76 0.643 26.764 -12.574 1.00 34.24 H new ATOM 0 HA HIS A 76 1.938 29.430 -12.803 1.00 74.05 H new ATOM 0 HB2 HIS A 76 3.788 28.346 -13.991 1.00 21.22 H new ATOM 0 HB3 HIS A 76 3.629 27.671 -12.381 1.00 21.22 H new ATOM 0 HD2 HIS A 76 2.865 24.930 -12.303 1.00 11.24 H new ATOM 0 HE1 HIS A 76 3.069 24.332 -16.493 1.00 14.44 H new ATOM 0 HE2 HIS A 76 2.838 23.190 -14.235 1.00 45.11 H new ATOM 1239 N HIS A 77 1.209 29.741 -15.172 1.00 41.12 N ATOM 1240 CA HIS A 77 0.668 30.041 -16.509 1.00 12.54 C ATOM 1241 C HIS A 77 1.689 29.612 -17.595 1.00 2.40 C ATOM 1242 O HIS A 77 2.760 30.247 -17.691 1.00 20.50 O ATOM 1243 CB HIS A 77 0.328 31.554 -16.616 1.00 70.43 C ATOM 1244 CG HIS A 77 -0.289 31.960 -17.940 1.00 64.45 C ATOM 1245 ND1 HIS A 77 -1.650 32.009 -18.158 1.00 73.20 N ATOM 1246 CD2 HIS A 77 0.279 32.380 -19.105 1.00 34.44 C ATOM 1247 CE1 HIS A 77 -1.887 32.440 -19.379 1.00 71.31 C ATOM 1248 NE2 HIS A 77 -0.739 32.669 -19.971 1.00 15.53 N ATOM 1249 OXT HIS A 77 1.421 28.647 -18.340 1.00 36.86 O ATOM 0 H HIS A 77 1.696 30.530 -14.747 1.00 41.12 H new ATOM 0 HA HIS A 77 -0.252 29.479 -16.667 1.00 12.54 H new ATOM 0 HB2 HIS A 77 -0.359 31.818 -15.812 1.00 70.43 H new ATOM 0 HB3 HIS A 77 1.239 32.132 -16.460 1.00 70.43 H new ATOM 0 HD2 HIS A 77 1.336 32.468 -19.307 1.00 34.44 H new ATOM 0 HE1 HIS A 77 -2.863 32.581 -19.819 1.00 71.31 H new ATOM 0 HE2 HIS A 77 -0.624 33.009 -20.926 1.00 15.53 H new TER 1258 HIS A 77