USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1000 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 4 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0378) USER MOD Single : A 7 LYS NZ :NH3+ -159:sc= -0.106 (180deg=-0.828) USER MOD Single : A 15 SER OG : rot 69:sc= 0.841 USER MOD Single : A 16 THR OG1 : rot -28:sc= 0.332 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.78 K(o=-0.78,f=-2.6!) USER MOD Single : A 32 ASN : amide:sc= -3.25! C(o=-3.2!,f=-7.4!) USER MOD Single : A 44 ASN : amide:sc= 0.0157 X(o=0.016,f=-0.19) USER MOD Single : A 45 LYS NZ :NH3+ -126:sc= -0.0687 (180deg=-0.6) USER MOD Single : A 47 GLN : amide:sc= -0.176 K(o=-0.18,f=-0.94) USER MOD Single : A 51 TYR OH : rot 71:sc= -4.34! USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN :FLIP amide:sc= -0.226 F(o=-1.5,f=-0.23) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.605 F(o=-6!,f=-0.61) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 99:sc= 0.845 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -153:sc= -0.127 (180deg=-0.658) USER MOD Single : A 94 ASN : amide:sc= -4.36! C(o=-4.4!,f=-8.4!) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.186 F(o=-1.6,f=-0.19) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= -4.45! USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 122 LYS NZ :NH3+ 148:sc= -1.17 (180deg=-2.05) USER MOD Single : A 126 LYS NZ :NH3+ 159:sc= -0.0546 (180deg=-0.472) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.526 -0.646 8.751 1.00 0.00 N ATOM 2 CA ALA A 2 -13.404 0.262 9.133 1.00 0.00 C ATOM 3 C ALA A 2 -13.723 1.691 8.688 1.00 0.00 C ATOM 4 O ALA A 2 -14.678 1.932 7.975 1.00 0.00 O ATOM 5 CB ALA A 2 -12.119 -0.206 8.448 1.00 0.00 C ATOM 0 HA ALA A 2 -13.274 0.241 10.215 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.298 0.455 8.725 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.888 -1.223 8.764 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.254 -0.183 7.367 1.00 0.00 H new ATOM 11 N ASP A 3 -12.927 2.639 9.102 1.00 0.00 N ATOM 12 CA ASP A 3 -13.174 4.056 8.704 1.00 0.00 C ATOM 13 C ASP A 3 -13.460 4.121 7.202 1.00 0.00 C ATOM 14 O ASP A 3 -12.858 3.417 6.425 1.00 0.00 O ATOM 15 CB ASP A 3 -11.930 4.892 9.016 1.00 0.00 C ATOM 16 CG ASP A 3 -12.064 5.508 10.409 1.00 0.00 C ATOM 17 OD1 ASP A 3 -12.291 4.761 11.347 1.00 0.00 O ATOM 18 OD2 ASP A 3 -11.938 6.717 10.515 1.00 0.00 O ATOM 0 H ASP A 3 -12.114 2.494 9.700 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.029 4.446 9.256 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.038 4.268 8.967 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.810 5.677 8.270 1.00 0.00 H new ATOM 23 N LYS A 4 -14.379 4.954 6.791 1.00 0.00 N ATOM 24 CA LYS A 4 -14.691 5.072 5.336 1.00 0.00 C ATOM 25 C LYS A 4 -13.816 6.157 4.700 1.00 0.00 C ATOM 26 O LYS A 4 -14.053 6.568 3.583 1.00 0.00 O ATOM 27 CB LYS A 4 -16.159 5.446 5.136 1.00 0.00 C ATOM 28 CG LYS A 4 -17.057 4.364 5.744 1.00 0.00 C ATOM 29 CD LYS A 4 -18.232 4.083 4.802 1.00 0.00 C ATOM 30 CE LYS A 4 -19.087 2.953 5.376 1.00 0.00 C ATOM 31 NZ LYS A 4 -19.899 3.471 6.512 1.00 0.00 N ATOM 0 H LYS A 4 -14.928 5.559 7.401 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.492 4.110 4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.366 6.408 5.604 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.374 5.556 4.073 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.484 3.452 5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.427 4.688 6.717 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.835 4.982 4.677 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.862 3.808 3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.740 2.549 4.603 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.449 2.136 5.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.577 2.743 6.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -19.272 3.711 7.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.416 4.321 6.210 1.00 0.00 H new ATOM 45 N GLU A 5 -12.835 6.650 5.407 1.00 0.00 N ATOM 46 CA GLU A 5 -11.978 7.733 4.842 1.00 0.00 C ATOM 47 C GLU A 5 -10.529 7.497 5.249 1.00 0.00 C ATOM 48 O GLU A 5 -9.861 8.371 5.765 1.00 0.00 O ATOM 49 CB GLU A 5 -12.447 9.086 5.384 1.00 0.00 C ATOM 50 CG GLU A 5 -12.799 8.947 6.867 1.00 0.00 C ATOM 51 CD GLU A 5 -13.047 10.334 7.465 1.00 0.00 C ATOM 52 OE1 GLU A 5 -13.390 11.229 6.711 1.00 0.00 O ATOM 53 OE2 GLU A 5 -12.889 10.476 8.666 1.00 0.00 O ATOM 0 H GLU A 5 -12.590 6.350 6.351 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.055 7.730 3.755 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.664 9.833 5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.315 9.433 4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.686 8.325 6.984 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.988 8.450 7.399 1.00 0.00 H new ATOM 60 N LEU A 6 -10.038 6.318 5.016 1.00 0.00 N ATOM 61 CA LEU A 6 -8.640 6.007 5.378 1.00 0.00 C ATOM 62 C LEU A 6 -7.723 6.478 4.249 1.00 0.00 C ATOM 63 O LEU A 6 -7.703 5.912 3.186 1.00 0.00 O ATOM 64 CB LEU A 6 -8.512 4.499 5.574 1.00 0.00 C ATOM 65 CG LEU A 6 -7.111 4.146 6.068 1.00 0.00 C ATOM 66 CD1 LEU A 6 -6.861 4.763 7.442 1.00 0.00 C ATOM 67 CD2 LEU A 6 -6.999 2.628 6.171 1.00 0.00 C ATOM 0 H LEU A 6 -10.553 5.550 4.585 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.357 6.514 6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.256 4.154 6.292 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.714 3.985 4.634 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.372 4.537 5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.858 4.503 7.781 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.951 5.847 7.376 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.595 4.380 8.152 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.003 2.360 6.523 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.745 2.255 6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.169 2.183 5.191 1.00 0.00 H new ATOM 79 N LYS A 7 -6.987 7.528 4.464 1.00 0.00 N ATOM 80 CA LYS A 7 -6.099 8.060 3.391 1.00 0.00 C ATOM 81 C LYS A 7 -5.257 6.948 2.747 1.00 0.00 C ATOM 82 O LYS A 7 -4.364 6.391 3.362 1.00 0.00 O ATOM 83 CB LYS A 7 -5.168 9.113 3.991 1.00 0.00 C ATOM 84 CG LYS A 7 -5.790 10.500 3.824 1.00 0.00 C ATOM 85 CD LYS A 7 -4.894 11.547 4.488 1.00 0.00 C ATOM 86 CE LYS A 7 -5.495 12.938 4.280 1.00 0.00 C ATOM 87 NZ LYS A 7 -5.581 13.229 2.822 1.00 0.00 N ATOM 0 H LYS A 7 -6.960 8.046 5.342 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.727 8.498 2.616 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.998 8.904 5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.196 9.077 3.499 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.912 10.730 2.766 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.784 10.520 4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.798 11.336 5.553 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.891 11.505 4.063 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.486 12.989 4.731 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.880 13.689 4.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.642 14.257 2.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.734 12.861 2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.428 12.773 2.426 1.00 0.00 H new ATOM 101 N PHE A 8 -5.516 6.652 1.491 1.00 0.00 N ATOM 102 CA PHE A 8 -4.720 5.617 0.775 1.00 0.00 C ATOM 103 C PHE A 8 -3.722 6.335 -0.140 1.00 0.00 C ATOM 104 O PHE A 8 -3.970 7.442 -0.574 1.00 0.00 O ATOM 105 CB PHE A 8 -5.632 4.763 -0.122 1.00 0.00 C ATOM 106 CG PHE A 8 -6.434 3.775 0.691 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.651 4.165 1.247 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.969 2.467 0.875 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.401 3.255 2.000 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.725 1.557 1.630 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.936 1.952 2.194 1.00 0.00 C ATOM 0 H PHE A 8 -6.250 7.090 0.935 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.222 4.981 1.507 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.308 5.412 -0.679 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.027 4.228 -0.854 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.015 5.170 1.097 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.031 2.159 0.437 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.342 3.561 2.433 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.367 0.548 1.774 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.514 1.253 2.780 1.00 0.00 H new ATOM 121 N LEU A 9 -2.617 5.712 -0.457 1.00 0.00 N ATOM 122 CA LEU A 9 -1.631 6.361 -1.381 1.00 0.00 C ATOM 123 C LEU A 9 -1.238 5.359 -2.469 1.00 0.00 C ATOM 124 O LEU A 9 -0.499 4.426 -2.229 1.00 0.00 O ATOM 125 CB LEU A 9 -0.388 6.812 -0.601 1.00 0.00 C ATOM 126 CG LEU A 9 0.741 7.181 -1.577 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.218 8.157 -2.631 1.00 0.00 C ATOM 128 CD2 LEU A 9 1.902 7.838 -0.821 1.00 0.00 C ATOM 0 H LEU A 9 -2.353 4.786 -0.120 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.084 7.240 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.633 7.670 0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.058 6.015 0.065 1.00 0.00 H new ATOM 0 HG LEU A 9 1.093 6.270 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.023 8.415 -3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.598 7.692 -3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.144 9.061 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.695 8.094 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.549 8.743 -0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.289 7.144 -0.075 1.00 0.00 H new ATOM 140 N VAL A 10 -1.735 5.544 -3.665 1.00 0.00 N ATOM 141 CA VAL A 10 -1.399 4.598 -4.766 1.00 0.00 C ATOM 142 C VAL A 10 -0.195 5.122 -5.562 1.00 0.00 C ATOM 143 O VAL A 10 -0.291 6.088 -6.294 1.00 0.00 O ATOM 144 CB VAL A 10 -2.611 4.461 -5.689 1.00 0.00 C ATOM 145 CG1 VAL A 10 -3.579 3.427 -5.113 1.00 0.00 C ATOM 146 CG2 VAL A 10 -3.323 5.811 -5.799 1.00 0.00 C ATOM 0 H VAL A 10 -2.358 6.309 -3.925 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.143 3.625 -4.346 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.278 4.140 -6.676 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.442 3.330 -5.771 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.076 2.464 -5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.910 3.749 -4.126 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.187 5.714 -6.457 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.653 6.130 -4.810 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.637 6.552 -6.208 1.00 0.00 H new ATOM 156 N VAL A 11 0.941 4.487 -5.423 1.00 0.00 N ATOM 157 CA VAL A 11 2.149 4.937 -6.161 1.00 0.00 C ATOM 158 C VAL A 11 2.304 4.123 -7.449 1.00 0.00 C ATOM 159 O VAL A 11 3.393 3.742 -7.825 1.00 0.00 O ATOM 160 CB VAL A 11 3.387 4.743 -5.281 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.635 5.205 -6.035 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.231 5.571 -4.005 1.00 0.00 C ATOM 0 H VAL A 11 1.080 3.672 -4.825 1.00 0.00 H new ATOM 0 HA VAL A 11 2.043 5.992 -6.414 1.00 0.00 H new ATOM 0 HB VAL A 11 3.490 3.688 -5.027 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.513 5.065 -5.405 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.746 4.620 -6.948 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.536 6.260 -6.290 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.110 5.437 -3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.129 6.625 -4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.343 5.243 -3.465 1.00 0.00 H new ATOM 172 N ASP A 12 1.223 3.855 -8.130 1.00 0.00 N ATOM 173 CA ASP A 12 1.319 3.067 -9.391 1.00 0.00 C ATOM 174 C ASP A 12 1.987 3.917 -10.474 1.00 0.00 C ATOM 175 O ASP A 12 1.796 5.115 -10.539 1.00 0.00 O ATOM 176 CB ASP A 12 -0.083 2.663 -9.853 1.00 0.00 C ATOM 177 CG ASP A 12 -1.014 2.574 -8.642 1.00 0.00 C ATOM 178 OD1 ASP A 12 -0.526 2.278 -7.564 1.00 0.00 O ATOM 179 OD2 ASP A 12 -2.200 2.804 -8.814 1.00 0.00 O ATOM 0 H ASP A 12 0.281 4.147 -7.869 1.00 0.00 H new ATOM 0 HA ASP A 12 1.913 2.171 -9.213 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.466 3.392 -10.567 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.045 1.703 -10.367 1.00 0.00 H new ATOM 184 N ASP A 13 2.771 3.307 -11.323 1.00 0.00 N ATOM 185 CA ASP A 13 3.455 4.077 -12.402 1.00 0.00 C ATOM 186 C ASP A 13 2.658 3.958 -13.702 1.00 0.00 C ATOM 187 O ASP A 13 3.036 4.499 -14.723 1.00 0.00 O ATOM 188 CB ASP A 13 4.862 3.513 -12.615 1.00 0.00 C ATOM 189 CG ASP A 13 5.491 4.164 -13.848 1.00 0.00 C ATOM 190 OD1 ASP A 13 5.308 5.358 -14.021 1.00 0.00 O ATOM 191 OD2 ASP A 13 6.144 3.458 -14.598 1.00 0.00 O ATOM 0 H ASP A 13 2.967 2.306 -11.315 1.00 0.00 H new ATOM 0 HA ASP A 13 3.521 5.126 -12.112 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.478 3.703 -11.736 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.816 2.432 -12.745 1.00 0.00 H new ATOM 196 N PHE A 14 1.560 3.254 -13.677 1.00 0.00 N ATOM 197 CA PHE A 14 0.744 3.103 -14.915 1.00 0.00 C ATOM 198 C PHE A 14 -0.247 4.264 -15.020 1.00 0.00 C ATOM 199 O PHE A 14 -0.779 4.729 -14.032 1.00 0.00 O ATOM 200 CB PHE A 14 -0.023 1.779 -14.863 1.00 0.00 C ATOM 201 CG PHE A 14 0.560 0.820 -15.873 1.00 0.00 C ATOM 202 CD1 PHE A 14 1.644 0.007 -15.520 1.00 0.00 C ATOM 203 CD2 PHE A 14 0.016 0.743 -17.160 1.00 0.00 C ATOM 204 CE1 PHE A 14 2.185 -0.883 -16.456 1.00 0.00 C ATOM 205 CE2 PHE A 14 0.557 -0.147 -18.097 1.00 0.00 C ATOM 206 CZ PHE A 14 1.641 -0.960 -17.745 1.00 0.00 C ATOM 0 H PHE A 14 1.193 2.777 -12.854 1.00 0.00 H new ATOM 0 HA PHE A 14 1.401 3.108 -15.785 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.037 1.351 -13.862 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.079 1.949 -15.074 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.063 0.066 -14.526 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.821 1.370 -17.431 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.021 -1.510 -16.184 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.138 -0.206 -19.091 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.058 -1.647 -18.467 1.00 0.00 H new ATOM 216 N SER A 15 -0.498 4.736 -16.210 1.00 0.00 N ATOM 217 CA SER A 15 -1.454 5.867 -16.378 1.00 0.00 C ATOM 218 C SER A 15 -2.881 5.323 -16.463 1.00 0.00 C ATOM 219 O SER A 15 -3.717 5.857 -17.164 1.00 0.00 O ATOM 220 CB SER A 15 -1.122 6.628 -17.661 1.00 0.00 C ATOM 221 OG SER A 15 -1.738 5.977 -18.765 1.00 0.00 O ATOM 0 H SER A 15 -0.082 4.387 -17.074 1.00 0.00 H new ATOM 0 HA SER A 15 -1.373 6.540 -15.524 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.473 7.657 -17.588 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.042 6.669 -17.804 1.00 0.00 H new ATOM 0 HG SER A 15 -2.711 6.080 -18.705 1.00 0.00 H new ATOM 227 N THR A 16 -3.167 4.266 -15.754 1.00 0.00 N ATOM 228 CA THR A 16 -4.540 3.690 -15.795 1.00 0.00 C ATOM 229 C THR A 16 -4.718 2.713 -14.632 1.00 0.00 C ATOM 230 O THR A 16 -5.804 2.239 -14.368 1.00 0.00 O ATOM 231 CB THR A 16 -4.746 2.951 -17.118 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.079 2.463 -17.183 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.767 1.780 -17.209 1.00 0.00 C ATOM 0 H THR A 16 -2.509 3.776 -15.148 1.00 0.00 H new ATOM 0 HA THR A 16 -5.272 4.493 -15.711 1.00 0.00 H new ATOM 0 HB THR A 16 -4.568 3.635 -17.948 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.413 2.301 -16.276 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.915 1.254 -18.152 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.745 2.156 -17.159 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.942 1.094 -16.380 1.00 0.00 H new ATOM 241 N MET A 17 -3.658 2.407 -13.934 1.00 0.00 N ATOM 242 CA MET A 17 -3.770 1.460 -12.790 1.00 0.00 C ATOM 243 C MET A 17 -4.476 2.152 -11.622 1.00 0.00 C ATOM 244 O MET A 17 -5.259 1.551 -10.915 1.00 0.00 O ATOM 245 CB MET A 17 -2.373 1.015 -12.351 1.00 0.00 C ATOM 246 CG MET A 17 -2.475 0.221 -11.047 1.00 0.00 C ATOM 247 SD MET A 17 -1.303 -1.157 -11.085 1.00 0.00 S ATOM 248 CE MET A 17 -2.426 -2.427 -10.453 1.00 0.00 C ATOM 0 H MET A 17 -2.721 2.772 -14.107 1.00 0.00 H new ATOM 0 HA MET A 17 -4.346 0.588 -13.099 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.915 0.402 -13.127 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.731 1.884 -12.210 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.263 0.869 -10.197 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.490 -0.155 -10.916 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.901 -3.380 -10.393 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.776 -2.142 -9.461 1.00 0.00 H new ATOM 0 HE3 MET A 17 -3.279 -2.525 -11.124 1.00 0.00 H new ATOM 258 N ARG A 18 -4.209 3.413 -11.415 1.00 0.00 N ATOM 259 CA ARG A 18 -4.873 4.131 -10.291 1.00 0.00 C ATOM 260 C ARG A 18 -6.386 4.134 -10.527 1.00 0.00 C ATOM 261 O ARG A 18 -7.165 4.396 -9.633 1.00 0.00 O ATOM 262 CB ARG A 18 -4.367 5.575 -10.218 1.00 0.00 C ATOM 263 CG ARG A 18 -2.847 5.603 -10.409 1.00 0.00 C ATOM 264 CD ARG A 18 -2.513 6.151 -11.799 1.00 0.00 C ATOM 265 NE ARG A 18 -1.035 6.223 -11.961 1.00 0.00 N ATOM 266 CZ ARG A 18 -0.451 7.381 -12.115 1.00 0.00 C ATOM 267 NH1 ARG A 18 -0.130 8.092 -11.069 1.00 0.00 N ATOM 268 NH2 ARG A 18 -0.189 7.826 -13.313 1.00 0.00 N ATOM 0 H ARG A 18 -3.564 3.974 -11.972 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.642 3.627 -9.353 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.850 6.179 -10.986 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.630 6.014 -9.256 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.386 6.225 -9.642 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.438 4.599 -10.295 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.943 5.509 -12.568 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.952 7.140 -11.927 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.479 5.368 -11.952 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.335 7.743 -10.133 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.326 8.997 -11.188 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.440 7.269 -14.130 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.267 8.730 -13.433 1.00 0.00 H new ATOM 282 N ARG A 19 -6.803 3.844 -11.731 1.00 0.00 N ATOM 283 CA ARG A 19 -8.262 3.827 -12.036 1.00 0.00 C ATOM 284 C ARG A 19 -8.897 2.565 -11.445 1.00 0.00 C ATOM 285 O ARG A 19 -9.977 2.602 -10.888 1.00 0.00 O ATOM 286 CB ARG A 19 -8.464 3.829 -13.553 1.00 0.00 C ATOM 287 CG ARG A 19 -9.815 4.467 -13.890 1.00 0.00 C ATOM 288 CD ARG A 19 -10.056 4.398 -15.400 1.00 0.00 C ATOM 289 NE ARG A 19 -10.002 5.772 -15.976 1.00 0.00 N ATOM 290 CZ ARG A 19 -9.939 5.934 -17.270 1.00 0.00 C ATOM 291 NH1 ARG A 19 -9.752 4.905 -18.048 1.00 0.00 N ATOM 292 NH2 ARG A 19 -10.064 7.128 -17.784 1.00 0.00 N ATOM 0 H ARG A 19 -6.194 3.618 -12.517 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.732 4.709 -11.600 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.659 4.382 -14.037 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.426 2.809 -13.937 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.615 3.949 -13.360 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.831 5.505 -13.556 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.303 3.765 -15.870 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.026 3.945 -15.604 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.014 6.585 -15.360 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.655 3.973 -17.646 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.703 5.032 -19.059 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.211 7.933 -17.175 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.015 7.256 -18.795 1.00 0.00 H new ATOM 306 N ILE A 20 -8.236 1.448 -11.570 1.00 0.00 N ATOM 307 CA ILE A 20 -8.797 0.179 -11.025 1.00 0.00 C ATOM 308 C ILE A 20 -9.036 0.320 -9.519 1.00 0.00 C ATOM 309 O ILE A 20 -10.114 0.060 -9.025 1.00 0.00 O ATOM 310 CB ILE A 20 -7.807 -0.963 -11.289 1.00 0.00 C ATOM 311 CG1 ILE A 20 -8.093 -1.574 -12.662 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.950 -2.046 -10.214 1.00 0.00 C ATOM 313 CD1 ILE A 20 -8.059 -0.479 -13.729 1.00 0.00 C ATOM 0 H ILE A 20 -7.329 1.359 -12.027 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.746 -0.039 -11.514 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.792 -0.566 -11.263 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.354 -2.341 -12.891 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.068 -2.062 -12.658 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.242 -2.851 -10.412 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.745 -1.615 -9.234 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.965 -2.443 -10.230 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.263 -0.917 -14.706 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.815 0.273 -13.503 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.074 -0.011 -13.739 1.00 0.00 H new ATOM 325 N VAL A 21 -8.033 0.713 -8.783 1.00 0.00 N ATOM 326 CA VAL A 21 -8.200 0.849 -7.309 1.00 0.00 C ATOM 327 C VAL A 21 -9.218 1.950 -6.991 1.00 0.00 C ATOM 328 O VAL A 21 -9.985 1.843 -6.055 1.00 0.00 O ATOM 329 CB VAL A 21 -6.857 1.192 -6.664 1.00 0.00 C ATOM 330 CG1 VAL A 21 -6.344 -0.020 -5.885 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.848 1.558 -7.751 1.00 0.00 C ATOM 0 H VAL A 21 -7.106 0.946 -9.139 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.563 -0.098 -6.909 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.985 2.036 -5.986 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.386 0.222 -5.424 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.063 -0.285 -5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.217 -0.862 -6.565 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.890 1.803 -7.291 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.720 0.713 -8.428 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.212 2.420 -8.310 1.00 0.00 H new ATOM 341 N ARG A 22 -9.232 3.008 -7.757 1.00 0.00 N ATOM 342 CA ARG A 22 -10.202 4.111 -7.492 1.00 0.00 C ATOM 343 C ARG A 22 -11.594 3.527 -7.243 1.00 0.00 C ATOM 344 O ARG A 22 -12.221 3.787 -6.235 1.00 0.00 O ATOM 345 CB ARG A 22 -10.262 5.032 -8.709 1.00 0.00 C ATOM 346 CG ARG A 22 -9.516 6.333 -8.411 1.00 0.00 C ATOM 347 CD ARG A 22 -9.256 7.082 -9.720 1.00 0.00 C ATOM 348 NE ARG A 22 -9.403 8.547 -9.493 1.00 0.00 N ATOM 349 CZ ARG A 22 -10.534 9.138 -9.765 1.00 0.00 C ATOM 350 NH1 ARG A 22 -11.582 8.919 -9.019 1.00 0.00 N ATOM 351 NH2 ARG A 22 -10.618 9.949 -10.785 1.00 0.00 N ATOM 0 H ARG A 22 -8.614 3.157 -8.555 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.878 4.671 -6.614 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.818 4.537 -9.573 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.300 5.247 -8.963 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -10.102 6.954 -7.734 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.573 6.117 -7.909 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.254 6.859 -10.086 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.956 6.750 -10.486 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.620 9.088 -9.125 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.518 8.285 -8.222 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.466 9.382 -9.233 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.800 10.120 -11.369 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.502 10.411 -10.998 1.00 0.00 H new ATOM 365 N ASN A 23 -12.079 2.739 -8.159 1.00 0.00 N ATOM 366 CA ASN A 23 -13.415 2.126 -8.007 1.00 0.00 C ATOM 367 C ASN A 23 -13.387 1.139 -6.850 1.00 0.00 C ATOM 368 O ASN A 23 -14.137 1.239 -5.902 1.00 0.00 O ATOM 369 CB ASN A 23 -13.704 1.365 -9.285 1.00 0.00 C ATOM 370 CG ASN A 23 -15.131 1.650 -9.756 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.342 2.466 -10.631 1.00 0.00 O ATOM 372 ND2 ASN A 23 -16.126 1.007 -9.209 1.00 0.00 N ATOM 0 H ASN A 23 -11.592 2.493 -9.021 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.171 2.887 -7.815 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.993 1.655 -10.059 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.575 0.296 -9.118 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -17.081 1.189 -9.516 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.948 0.322 -8.474 1.00 0.00 H new ATOM 379 N LEU A 24 -12.512 0.184 -6.951 1.00 0.00 N ATOM 380 CA LEU A 24 -12.379 -0.853 -5.894 1.00 0.00 C ATOM 381 C LEU A 24 -12.487 -0.193 -4.516 1.00 0.00 C ATOM 382 O LEU A 24 -13.411 -0.439 -3.768 1.00 0.00 O ATOM 383 CB LEU A 24 -11.002 -1.496 -6.052 1.00 0.00 C ATOM 384 CG LEU A 24 -10.943 -2.886 -5.385 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.624 -3.944 -6.445 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.847 -2.923 -4.313 1.00 0.00 C ATOM 0 H LEU A 24 -11.870 0.075 -7.736 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.165 -1.603 -5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.763 -1.590 -7.111 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.245 -0.848 -5.611 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.908 -3.089 -4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.582 -4.927 -5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.401 -3.939 -7.209 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.662 -3.720 -6.905 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.821 -3.911 -3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.882 -2.710 -4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.059 -2.174 -3.550 1.00 0.00 H new ATOM 398 N LEU A 25 -11.551 0.655 -4.181 1.00 0.00 N ATOM 399 CA LEU A 25 -11.606 1.340 -2.861 1.00 0.00 C ATOM 400 C LEU A 25 -12.999 1.944 -2.678 1.00 0.00 C ATOM 401 O LEU A 25 -13.602 1.832 -1.630 1.00 0.00 O ATOM 402 CB LEU A 25 -10.551 2.453 -2.819 1.00 0.00 C ATOM 403 CG LEU A 25 -9.203 1.878 -2.370 1.00 0.00 C ATOM 404 CD1 LEU A 25 -8.115 2.937 -2.556 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.263 1.474 -0.891 1.00 0.00 C ATOM 0 H LEU A 25 -10.752 0.901 -4.765 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.405 0.627 -2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.452 2.909 -3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.867 3.240 -2.134 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.976 0.998 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.155 2.532 -2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.059 3.220 -3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.355 3.815 -1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.299 1.067 -0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.497 2.349 -0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.036 0.719 -0.751 1.00 0.00 H new ATOM 417 N LYS A 26 -13.516 2.580 -3.695 1.00 0.00 N ATOM 418 CA LYS A 26 -14.868 3.183 -3.584 1.00 0.00 C ATOM 419 C LYS A 26 -15.850 2.126 -3.081 1.00 0.00 C ATOM 420 O LYS A 26 -16.617 2.359 -2.170 1.00 0.00 O ATOM 421 CB LYS A 26 -15.319 3.687 -4.958 1.00 0.00 C ATOM 422 CG LYS A 26 -16.336 4.818 -4.782 1.00 0.00 C ATOM 423 CD LYS A 26 -16.763 5.338 -6.157 1.00 0.00 C ATOM 424 CE LYS A 26 -15.910 6.552 -6.530 1.00 0.00 C ATOM 425 NZ LYS A 26 -16.172 6.925 -7.950 1.00 0.00 N ATOM 0 H LYS A 26 -13.057 2.706 -4.597 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.839 4.019 -2.885 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.459 4.042 -5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.763 2.871 -5.528 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.205 4.458 -4.232 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.899 5.626 -4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.647 4.555 -6.906 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -17.818 5.612 -6.143 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -16.144 7.390 -5.873 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.853 6.324 -6.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.593 7.750 -8.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.928 6.126 -8.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -17.178 7.159 -8.067 1.00 0.00 H new ATOM 439 N GLU A 27 -15.827 0.964 -3.671 1.00 0.00 N ATOM 440 CA GLU A 27 -16.751 -0.112 -3.233 1.00 0.00 C ATOM 441 C GLU A 27 -16.485 -0.439 -1.763 1.00 0.00 C ATOM 442 O GLU A 27 -17.338 -0.951 -1.066 1.00 0.00 O ATOM 443 CB GLU A 27 -16.522 -1.362 -4.084 1.00 0.00 C ATOM 444 CG GLU A 27 -17.791 -2.218 -4.085 1.00 0.00 C ATOM 445 CD GLU A 27 -18.729 -1.739 -5.194 1.00 0.00 C ATOM 446 OE1 GLU A 27 -18.855 -0.537 -5.359 1.00 0.00 O ATOM 447 OE2 GLU A 27 -19.305 -2.583 -5.861 1.00 0.00 O ATOM 0 H GLU A 27 -15.205 0.715 -4.440 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.782 0.222 -3.353 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -16.261 -1.078 -5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.684 -1.936 -3.689 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.535 -3.266 -4.238 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -18.289 -2.150 -3.118 1.00 0.00 H new ATOM 454 N LEU A 28 -15.304 -0.148 -1.287 1.00 0.00 N ATOM 455 CA LEU A 28 -14.980 -0.444 0.137 1.00 0.00 C ATOM 456 C LEU A 28 -15.356 0.758 1.005 1.00 0.00 C ATOM 457 O LEU A 28 -15.131 0.769 2.199 1.00 0.00 O ATOM 458 CB LEU A 28 -13.480 -0.723 0.273 1.00 0.00 C ATOM 459 CG LEU A 28 -13.180 -2.169 -0.141 1.00 0.00 C ATOM 460 CD1 LEU A 28 -11.666 -2.369 -0.222 1.00 0.00 C ATOM 461 CD2 LEU A 28 -13.763 -3.152 0.884 1.00 0.00 C ATOM 0 H LEU A 28 -14.550 0.282 -1.823 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.543 -1.319 0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.914 -0.032 -0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.162 -0.556 1.302 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.636 -2.358 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.450 -3.396 -0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.248 -1.685 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.220 -2.169 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.541 -4.174 0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.319 -2.964 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.843 -3.017 0.944 1.00 0.00 H new ATOM 473 N GLY A 29 -15.937 1.768 0.417 1.00 0.00 N ATOM 474 CA GLY A 29 -16.336 2.960 1.205 1.00 0.00 C ATOM 475 C GLY A 29 -15.128 3.876 1.424 1.00 0.00 C ATOM 476 O GLY A 29 -14.752 4.159 2.542 1.00 0.00 O ATOM 0 H GLY A 29 -16.152 1.815 -0.579 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.124 3.503 0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.746 2.650 2.166 1.00 0.00 H new ATOM 480 N PHE A 30 -14.522 4.352 0.370 1.00 0.00 N ATOM 481 CA PHE A 30 -13.346 5.256 0.535 1.00 0.00 C ATOM 482 C PHE A 30 -13.307 6.255 -0.627 1.00 0.00 C ATOM 483 O PHE A 30 -13.620 5.920 -1.752 1.00 0.00 O ATOM 484 CB PHE A 30 -12.053 4.436 0.525 1.00 0.00 C ATOM 485 CG PHE A 30 -11.893 3.693 1.826 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.641 4.399 3.006 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.974 2.294 1.846 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.470 3.705 4.208 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.807 1.602 3.050 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.554 2.307 4.231 1.00 0.00 C ATOM 0 H PHE A 30 -14.788 4.155 -0.595 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.435 5.786 1.483 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -12.069 3.730 -0.305 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.199 5.094 0.367 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.579 5.477 2.989 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.165 1.751 0.932 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.273 4.248 5.120 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.873 0.524 3.068 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.423 1.773 5.161 1.00 0.00 H new ATOM 500 N ASN A 31 -12.924 7.479 -0.370 1.00 0.00 N ATOM 501 CA ASN A 31 -12.867 8.484 -1.472 1.00 0.00 C ATOM 502 C ASN A 31 -11.773 9.520 -1.187 1.00 0.00 C ATOM 503 O ASN A 31 -11.860 10.651 -1.624 1.00 0.00 O ATOM 504 CB ASN A 31 -14.220 9.194 -1.583 1.00 0.00 C ATOM 505 CG ASN A 31 -14.232 10.076 -2.833 1.00 0.00 C ATOM 506 OD1 ASN A 31 -13.452 9.872 -3.742 1.00 0.00 O ATOM 507 ND2 ASN A 31 -15.092 11.054 -2.917 1.00 0.00 N ATOM 0 H ASN A 31 -12.650 7.824 0.550 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.639 7.973 -2.407 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.025 8.460 -1.635 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.398 9.801 -0.695 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.110 11.648 -3.746 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.746 11.225 -2.153 1.00 0.00 H new ATOM 514 N ASN A 32 -10.753 9.151 -0.451 1.00 0.00 N ATOM 515 CA ASN A 32 -9.665 10.118 -0.131 1.00 0.00 C ATOM 516 C ASN A 32 -8.296 9.456 -0.321 1.00 0.00 C ATOM 517 O ASN A 32 -7.822 8.738 0.538 1.00 0.00 O ATOM 518 CB ASN A 32 -9.813 10.551 1.324 1.00 0.00 C ATOM 519 CG ASN A 32 -10.610 9.495 2.091 1.00 0.00 C ATOM 520 OD1 ASN A 32 -11.579 9.809 2.752 1.00 0.00 O ATOM 521 ND2 ASN A 32 -10.239 8.245 2.031 1.00 0.00 N ATOM 0 H ASN A 32 -10.630 8.218 -0.058 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.737 10.979 -0.796 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -8.830 10.681 1.778 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.319 11.515 1.378 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.763 7.533 2.539 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.425 7.981 1.476 1.00 0.00 H new ATOM 528 N VAL A 33 -7.651 9.697 -1.433 1.00 0.00 N ATOM 529 CA VAL A 33 -6.307 9.086 -1.664 1.00 0.00 C ATOM 530 C VAL A 33 -5.439 10.048 -2.473 1.00 0.00 C ATOM 531 O VAL A 33 -5.874 11.113 -2.868 1.00 0.00 O ATOM 532 CB VAL A 33 -6.452 7.763 -2.438 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.806 7.128 -2.131 1.00 0.00 C ATOM 534 CG2 VAL A 33 -6.346 8.008 -3.950 1.00 0.00 C ATOM 0 H VAL A 33 -7.995 10.289 -2.189 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.840 8.889 -0.699 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.650 7.094 -2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.902 6.192 -2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.881 6.929 -1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.603 7.809 -2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.451 7.061 -4.480 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.136 8.690 -4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.375 8.447 -4.180 1.00 0.00 H new ATOM 544 N GLU A 34 -4.223 9.662 -2.746 1.00 0.00 N ATOM 545 CA GLU A 34 -3.324 10.523 -3.561 1.00 0.00 C ATOM 546 C GLU A 34 -2.562 9.624 -4.531 1.00 0.00 C ATOM 547 O GLU A 34 -2.838 8.443 -4.625 1.00 0.00 O ATOM 548 CB GLU A 34 -2.353 11.295 -2.656 1.00 0.00 C ATOM 549 CG GLU A 34 -3.078 12.472 -1.970 1.00 0.00 C ATOM 550 CD GLU A 34 -2.137 13.676 -1.877 1.00 0.00 C ATOM 551 OE1 GLU A 34 -0.933 13.470 -1.883 1.00 0.00 O ATOM 552 OE2 GLU A 34 -2.635 14.786 -1.801 1.00 0.00 O ATOM 0 H GLU A 34 -3.812 8.781 -2.437 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.907 11.258 -4.116 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.938 10.626 -1.902 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.516 11.669 -3.245 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.971 12.740 -2.534 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.407 12.178 -0.973 1.00 0.00 H new ATOM 559 N GLU A 35 -1.628 10.168 -5.268 1.00 0.00 N ATOM 560 CA GLU A 35 -0.882 9.339 -6.261 1.00 0.00 C ATOM 561 C GLU A 35 0.604 9.690 -6.254 1.00 0.00 C ATOM 562 O GLU A 35 1.004 10.774 -5.878 1.00 0.00 O ATOM 563 CB GLU A 35 -1.426 9.620 -7.669 1.00 0.00 C ATOM 564 CG GLU A 35 -2.840 9.056 -7.825 1.00 0.00 C ATOM 565 CD GLU A 35 -3.780 10.163 -8.308 1.00 0.00 C ATOM 566 OE1 GLU A 35 -3.836 10.383 -9.506 1.00 0.00 O ATOM 567 OE2 GLU A 35 -4.427 10.770 -7.472 1.00 0.00 O ATOM 0 H GLU A 35 -1.350 11.149 -5.225 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.011 8.290 -5.993 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.435 10.694 -7.853 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.767 9.175 -8.414 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.837 8.230 -8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.191 8.656 -6.874 1.00 0.00 H new ATOM 574 N ALA A 36 1.419 8.777 -6.703 1.00 0.00 N ATOM 575 CA ALA A 36 2.883 9.034 -6.773 1.00 0.00 C ATOM 576 C ALA A 36 3.455 8.225 -7.938 1.00 0.00 C ATOM 577 O ALA A 36 2.721 7.613 -8.688 1.00 0.00 O ATOM 578 CB ALA A 36 3.551 8.615 -5.463 1.00 0.00 C ATOM 0 H ALA A 36 1.129 7.854 -7.028 1.00 0.00 H new ATOM 0 HA ALA A 36 3.071 10.096 -6.928 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.622 8.807 -5.523 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.126 9.187 -4.638 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.382 7.552 -5.292 1.00 0.00 H new ATOM 584 N GLU A 37 4.749 8.215 -8.110 1.00 0.00 N ATOM 585 CA GLU A 37 5.332 7.439 -9.244 1.00 0.00 C ATOM 586 C GLU A 37 6.718 6.914 -8.868 1.00 0.00 C ATOM 587 O GLU A 37 7.468 6.467 -9.713 1.00 0.00 O ATOM 588 CB GLU A 37 5.450 8.344 -10.472 1.00 0.00 C ATOM 589 CG GLU A 37 6.612 9.320 -10.279 1.00 0.00 C ATOM 590 CD GLU A 37 6.402 10.546 -11.169 1.00 0.00 C ATOM 591 OE1 GLU A 37 5.376 11.188 -11.027 1.00 0.00 O ATOM 592 OE2 GLU A 37 7.273 10.821 -11.978 1.00 0.00 O ATOM 0 H GLU A 37 5.423 8.705 -7.521 1.00 0.00 H new ATOM 0 HA GLU A 37 4.680 6.595 -9.467 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.612 7.742 -11.366 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.521 8.894 -10.622 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.677 9.623 -9.234 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.555 8.833 -10.529 1.00 0.00 H new ATOM 599 N ASP A 38 7.070 6.956 -7.614 1.00 0.00 N ATOM 600 CA ASP A 38 8.410 6.452 -7.208 1.00 0.00 C ATOM 601 C ASP A 38 8.587 6.656 -5.707 1.00 0.00 C ATOM 602 O ASP A 38 7.712 7.165 -5.036 1.00 0.00 O ATOM 603 CB ASP A 38 9.499 7.224 -7.956 1.00 0.00 C ATOM 604 CG ASP A 38 10.237 6.278 -8.905 1.00 0.00 C ATOM 605 OD1 ASP A 38 9.793 6.137 -10.032 1.00 0.00 O ATOM 606 OD2 ASP A 38 11.233 5.711 -8.488 1.00 0.00 O ATOM 0 H ASP A 38 6.490 7.316 -6.856 1.00 0.00 H new ATOM 0 HA ASP A 38 8.489 5.392 -7.449 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.056 8.046 -8.518 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.200 7.664 -7.247 1.00 0.00 H new ATOM 611 N GLY A 39 9.710 6.272 -5.173 1.00 0.00 N ATOM 612 CA GLY A 39 9.926 6.462 -3.715 1.00 0.00 C ATOM 613 C GLY A 39 10.113 7.946 -3.434 1.00 0.00 C ATOM 614 O GLY A 39 9.610 8.465 -2.465 1.00 0.00 O ATOM 0 H GLY A 39 10.482 5.838 -5.679 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.074 6.077 -3.154 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.803 5.903 -3.388 1.00 0.00 H new ATOM 618 N VAL A 40 10.811 8.642 -4.283 1.00 0.00 N ATOM 619 CA VAL A 40 10.989 10.097 -4.052 1.00 0.00 C ATOM 620 C VAL A 40 9.607 10.749 -4.040 1.00 0.00 C ATOM 621 O VAL A 40 9.373 11.729 -3.360 1.00 0.00 O ATOM 622 CB VAL A 40 11.833 10.700 -5.176 1.00 0.00 C ATOM 623 CG1 VAL A 40 11.015 10.738 -6.467 1.00 0.00 C ATOM 624 CG2 VAL A 40 12.247 12.123 -4.794 1.00 0.00 C ATOM 0 H VAL A 40 11.262 8.270 -5.119 1.00 0.00 H new ATOM 0 HA VAL A 40 11.497 10.269 -3.103 1.00 0.00 H new ATOM 0 HB VAL A 40 12.723 10.089 -5.329 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.618 11.168 -7.267 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.719 9.725 -6.740 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.124 11.348 -6.316 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.849 12.554 -5.594 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.356 12.732 -4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.831 12.097 -3.874 1.00 0.00 H new ATOM 634 N ASP A 41 8.684 10.199 -4.788 1.00 0.00 N ATOM 635 CA ASP A 41 7.313 10.770 -4.831 1.00 0.00 C ATOM 636 C ASP A 41 6.518 10.290 -3.619 1.00 0.00 C ATOM 637 O ASP A 41 5.848 11.061 -2.960 1.00 0.00 O ATOM 638 CB ASP A 41 6.619 10.291 -6.104 1.00 0.00 C ATOM 639 CG ASP A 41 5.480 11.248 -6.461 1.00 0.00 C ATOM 640 OD1 ASP A 41 4.844 11.746 -5.547 1.00 0.00 O ATOM 641 OD2 ASP A 41 5.264 11.467 -7.641 1.00 0.00 O ATOM 0 H ASP A 41 8.827 9.375 -5.372 1.00 0.00 H new ATOM 0 HA ASP A 41 7.369 11.858 -4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.336 10.241 -6.924 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.229 9.283 -5.960 1.00 0.00 H new ATOM 646 N ALA A 42 6.579 9.021 -3.322 1.00 0.00 N ATOM 647 CA ALA A 42 5.816 8.501 -2.159 1.00 0.00 C ATOM 648 C ALA A 42 6.368 9.100 -0.865 1.00 0.00 C ATOM 649 O ALA A 42 5.626 9.475 0.011 1.00 0.00 O ATOM 650 CB ALA A 42 5.936 6.978 -2.108 1.00 0.00 C ATOM 0 H ALA A 42 7.123 8.326 -3.834 1.00 0.00 H new ATOM 0 HA ALA A 42 4.768 8.781 -2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.376 6.597 -1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.533 6.550 -3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.985 6.699 -2.007 1.00 0.00 H new ATOM 656 N LEU A 43 7.662 9.186 -0.733 1.00 0.00 N ATOM 657 CA LEU A 43 8.248 9.753 0.518 1.00 0.00 C ATOM 658 C LEU A 43 7.868 11.229 0.661 1.00 0.00 C ATOM 659 O LEU A 43 7.277 11.632 1.643 1.00 0.00 O ATOM 660 CB LEU A 43 9.772 9.628 0.480 1.00 0.00 C ATOM 661 CG LEU A 43 10.188 8.287 1.087 1.00 0.00 C ATOM 662 CD1 LEU A 43 11.533 7.856 0.500 1.00 0.00 C ATOM 663 CD2 LEU A 43 10.318 8.434 2.605 1.00 0.00 C ATOM 0 H LEU A 43 8.340 8.889 -1.435 1.00 0.00 H new ATOM 0 HA LEU A 43 7.855 9.197 1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.128 9.700 -0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.229 10.448 1.034 1.00 0.00 H new ATOM 0 HG LEU A 43 9.434 7.534 0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.829 6.900 0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.442 7.752 -0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.288 8.608 0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.614 7.479 3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.072 9.187 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.360 8.741 3.024 1.00 0.00 H new ATOM 675 N ASN A 44 8.211 12.044 -0.300 1.00 0.00 N ATOM 676 CA ASN A 44 7.875 13.493 -0.195 1.00 0.00 C ATOM 677 C ASN A 44 6.374 13.668 0.043 1.00 0.00 C ATOM 678 O ASN A 44 5.941 14.632 0.646 1.00 0.00 O ATOM 679 CB ASN A 44 8.268 14.202 -1.491 1.00 0.00 C ATOM 680 CG ASN A 44 9.680 14.775 -1.352 1.00 0.00 C ATOM 681 OD1 ASN A 44 9.947 15.554 -0.458 1.00 0.00 O ATOM 682 ND2 ASN A 44 10.602 14.422 -2.206 1.00 0.00 N ATOM 0 H ASN A 44 8.707 11.771 -1.149 1.00 0.00 H new ATOM 0 HA ASN A 44 8.423 13.925 0.642 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.228 13.503 -2.327 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.560 15.001 -1.710 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.546 14.800 -2.123 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.379 13.768 -2.956 1.00 0.00 H new ATOM 689 N LYS A 45 5.574 12.757 -0.434 1.00 0.00 N ATOM 690 CA LYS A 45 4.101 12.888 -0.244 1.00 0.00 C ATOM 691 C LYS A 45 3.661 12.204 1.057 1.00 0.00 C ATOM 692 O LYS A 45 2.707 12.614 1.682 1.00 0.00 O ATOM 693 CB LYS A 45 3.380 12.236 -1.426 1.00 0.00 C ATOM 694 CG LYS A 45 3.711 13.000 -2.708 1.00 0.00 C ATOM 695 CD LYS A 45 2.661 14.088 -2.941 1.00 0.00 C ATOM 696 CE LYS A 45 3.103 14.986 -4.098 1.00 0.00 C ATOM 697 NZ LYS A 45 4.313 15.757 -3.694 1.00 0.00 N ATOM 0 H LYS A 45 5.874 11.928 -0.947 1.00 0.00 H new ATOM 0 HA LYS A 45 3.847 13.947 -0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.685 11.194 -1.522 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.303 12.239 -1.256 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.702 13.447 -2.632 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.735 12.315 -3.556 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.696 13.634 -3.167 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.530 14.681 -2.036 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.321 14.382 -4.979 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.298 15.668 -4.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.143 16.772 -3.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.516 15.583 -2.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.125 15.454 -4.269 1.00 0.00 H new ATOM 711 N LEU A 46 4.335 11.165 1.464 1.00 0.00 N ATOM 712 CA LEU A 46 3.929 10.462 2.718 1.00 0.00 C ATOM 713 C LEU A 46 3.852 11.466 3.871 1.00 0.00 C ATOM 714 O LEU A 46 2.958 11.415 4.692 1.00 0.00 O ATOM 715 CB LEU A 46 4.960 9.376 3.066 1.00 0.00 C ATOM 716 CG LEU A 46 4.307 7.982 3.095 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.163 7.954 4.111 1.00 0.00 C ATOM 718 CD2 LEU A 46 3.755 7.619 1.713 1.00 0.00 C ATOM 0 H LEU A 46 5.146 10.772 0.987 1.00 0.00 H new ATOM 0 HA LEU A 46 2.953 10.002 2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.767 9.388 2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.407 9.592 4.036 1.00 0.00 H new ATOM 0 HG LEU A 46 5.069 7.257 3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.710 6.963 4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.551 8.186 5.103 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.412 8.693 3.833 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.297 6.631 1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.007 8.354 1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.568 7.614 0.987 1.00 0.00 H new ATOM 730 N GLN A 47 4.788 12.371 3.944 1.00 0.00 N ATOM 731 CA GLN A 47 4.776 13.370 5.050 1.00 0.00 C ATOM 732 C GLN A 47 3.581 14.314 4.887 1.00 0.00 C ATOM 733 O GLN A 47 3.255 15.072 5.778 1.00 0.00 O ATOM 734 CB GLN A 47 6.074 14.180 5.015 1.00 0.00 C ATOM 735 CG GLN A 47 6.107 15.035 3.747 1.00 0.00 C ATOM 736 CD GLN A 47 7.551 15.166 3.258 1.00 0.00 C ATOM 737 OE1 GLN A 47 8.236 14.178 3.079 1.00 0.00 O ATOM 738 NE2 GLN A 47 8.045 16.352 3.031 1.00 0.00 N ATOM 0 H GLN A 47 5.561 12.462 3.285 1.00 0.00 H new ATOM 0 HA GLN A 47 4.693 12.850 6.004 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.142 14.816 5.897 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.934 13.510 5.038 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.489 14.580 2.973 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.689 16.021 3.949 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.470 17.181 3.181 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.006 16.450 2.703 1.00 0.00 H new ATOM 747 N ALA A 48 2.931 14.278 3.755 1.00 0.00 N ATOM 748 CA ALA A 48 1.764 15.175 3.534 1.00 0.00 C ATOM 749 C ALA A 48 0.849 15.147 4.762 1.00 0.00 C ATOM 750 O ALA A 48 0.687 16.139 5.445 1.00 0.00 O ATOM 751 CB ALA A 48 0.980 14.707 2.306 1.00 0.00 C ATOM 0 H ALA A 48 3.160 13.664 2.973 1.00 0.00 H new ATOM 0 HA ALA A 48 2.121 16.192 3.372 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.126 15.366 2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.627 14.733 1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.627 13.688 2.466 1.00 0.00 H new ATOM 757 N GLY A 49 0.250 14.021 5.047 1.00 0.00 N ATOM 758 CA GLY A 49 -0.655 13.937 6.232 1.00 0.00 C ATOM 759 C GLY A 49 -0.528 12.558 6.880 1.00 0.00 C ATOM 760 O GLY A 49 -1.274 12.212 7.775 1.00 0.00 O ATOM 0 H GLY A 49 0.347 13.158 4.512 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.399 14.713 6.953 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.687 14.113 5.927 1.00 0.00 H new ATOM 764 N GLY A 50 0.406 11.763 6.436 1.00 0.00 N ATOM 765 CA GLY A 50 0.569 10.407 7.029 1.00 0.00 C ATOM 766 C GLY A 50 -0.559 9.509 6.528 1.00 0.00 C ATOM 767 O GLY A 50 -1.596 9.388 7.151 1.00 0.00 O ATOM 0 H GLY A 50 1.062 11.994 5.690 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.536 9.988 6.751 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.548 10.467 8.117 1.00 0.00 H new ATOM 771 N TYR A 51 -0.371 8.888 5.400 1.00 0.00 N ATOM 772 CA TYR A 51 -1.430 8.009 4.846 1.00 0.00 C ATOM 773 C TYR A 51 -1.604 6.781 5.728 1.00 0.00 C ATOM 774 O TYR A 51 -0.754 5.913 5.777 1.00 0.00 O ATOM 775 CB TYR A 51 -1.030 7.568 3.445 1.00 0.00 C ATOM 776 CG TYR A 51 -1.101 8.751 2.520 1.00 0.00 C ATOM 777 CD1 TYR A 51 -0.072 9.694 2.527 1.00 0.00 C ATOM 778 CD2 TYR A 51 -2.192 8.906 1.658 1.00 0.00 C ATOM 779 CE1 TYR A 51 -0.130 10.794 1.671 1.00 0.00 C ATOM 780 CE2 TYR A 51 -2.249 10.010 0.800 1.00 0.00 C ATOM 781 CZ TYR A 51 -1.215 10.953 0.808 1.00 0.00 C ATOM 782 OH TYR A 51 -1.264 12.042 -0.034 1.00 0.00 O ATOM 0 H TYR A 51 0.476 8.953 4.836 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.370 8.559 4.810 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.020 7.157 3.454 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.693 6.777 3.096 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.768 9.572 3.194 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.988 8.176 1.655 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.666 11.524 1.676 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.089 10.134 0.133 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.590 11.942 -0.738 1.00 0.00 H new ATOM 792 N GLY A 52 -2.704 6.690 6.413 1.00 0.00 N ATOM 793 CA GLY A 52 -2.932 5.505 7.274 1.00 0.00 C ATOM 794 C GLY A 52 -2.782 4.249 6.423 1.00 0.00 C ATOM 795 O GLY A 52 -2.758 3.147 6.926 1.00 0.00 O ATOM 0 H GLY A 52 -3.453 7.383 6.414 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.217 5.492 8.097 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.927 5.545 7.717 1.00 0.00 H new ATOM 799 N PHE A 53 -2.698 4.404 5.128 1.00 0.00 N ATOM 800 CA PHE A 53 -2.572 3.211 4.252 1.00 0.00 C ATOM 801 C PHE A 53 -1.775 3.559 2.993 1.00 0.00 C ATOM 802 O PHE A 53 -2.101 4.494 2.284 1.00 0.00 O ATOM 803 CB PHE A 53 -3.975 2.783 3.854 1.00 0.00 C ATOM 804 CG PHE A 53 -4.180 1.314 4.111 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.378 0.844 5.413 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.212 0.427 3.038 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.611 -0.514 5.632 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.440 -0.927 3.254 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.643 -1.404 4.552 1.00 0.00 C ATOM 0 H PHE A 53 -2.711 5.302 4.644 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.052 2.412 4.780 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.709 3.361 4.416 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.140 2.998 2.798 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.351 1.530 6.247 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.059 0.793 2.033 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.767 -0.879 6.636 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.460 -1.611 2.418 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.824 -2.455 4.721 1.00 0.00 H new ATOM 819 N VAL A 54 -0.743 2.810 2.701 1.00 0.00 N ATOM 820 CA VAL A 54 0.064 3.095 1.476 1.00 0.00 C ATOM 821 C VAL A 54 0.096 1.857 0.583 1.00 0.00 C ATOM 822 O VAL A 54 0.551 0.800 0.978 1.00 0.00 O ATOM 823 CB VAL A 54 1.488 3.491 1.867 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.327 3.682 0.600 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.450 4.805 2.651 1.00 0.00 C ATOM 0 H VAL A 54 -0.425 2.016 3.256 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.394 3.920 0.931 1.00 0.00 H new ATOM 0 HB VAL A 54 1.929 2.708 2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.343 3.964 0.876 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.350 2.750 0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.886 4.468 -0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.464 5.091 2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.011 5.586 2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.848 4.675 3.550 1.00 0.00 H new ATOM 835 N ILE A 55 -0.390 1.989 -0.623 1.00 0.00 N ATOM 836 CA ILE A 55 -0.402 0.838 -1.568 1.00 0.00 C ATOM 837 C ILE A 55 0.719 1.024 -2.591 1.00 0.00 C ATOM 838 O ILE A 55 0.790 2.029 -3.271 1.00 0.00 O ATOM 839 CB ILE A 55 -1.747 0.784 -2.294 1.00 0.00 C ATOM 840 CG1 ILE A 55 -2.885 0.756 -1.269 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.809 -0.480 -3.154 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.222 0.962 -1.985 1.00 0.00 C ATOM 0 H ILE A 55 -0.782 2.854 -0.995 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.253 -0.091 -1.017 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.852 1.665 -2.927 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.887 -0.196 -0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.736 1.536 -0.523 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.767 -0.521 -3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.001 -0.462 -3.885 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.703 -1.359 -2.518 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.032 0.942 -1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.217 1.925 -2.495 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.371 0.166 -2.714 1.00 0.00 H new ATOM 854 N SER A 56 1.594 0.063 -2.701 1.00 0.00 N ATOM 855 CA SER A 56 2.716 0.173 -3.675 1.00 0.00 C ATOM 856 C SER A 56 2.927 -1.181 -4.349 1.00 0.00 C ATOM 857 O SER A 56 2.389 -2.184 -3.930 1.00 0.00 O ATOM 858 CB SER A 56 3.991 0.580 -2.936 1.00 0.00 C ATOM 859 OG SER A 56 4.485 -0.535 -2.206 1.00 0.00 O ATOM 0 H SER A 56 1.580 -0.798 -2.155 1.00 0.00 H new ATOM 0 HA SER A 56 2.479 0.924 -4.428 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.742 0.927 -3.646 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.785 1.410 -2.260 1.00 0.00 H new ATOM 0 HG SER A 56 5.304 -0.279 -1.732 1.00 0.00 H new ATOM 865 N ASP A 57 3.707 -1.221 -5.392 1.00 0.00 N ATOM 866 CA ASP A 57 3.946 -2.516 -6.082 1.00 0.00 C ATOM 867 C ASP A 57 5.075 -3.265 -5.368 1.00 0.00 C ATOM 868 O ASP A 57 4.860 -3.925 -4.370 1.00 0.00 O ATOM 869 CB ASP A 57 4.343 -2.254 -7.537 1.00 0.00 C ATOM 870 CG ASP A 57 4.902 -3.537 -8.154 1.00 0.00 C ATOM 871 OD1 ASP A 57 4.136 -4.471 -8.327 1.00 0.00 O ATOM 872 OD2 ASP A 57 6.086 -3.564 -8.444 1.00 0.00 O ATOM 0 H ASP A 57 4.187 -0.416 -5.795 1.00 0.00 H new ATOM 0 HA ASP A 57 3.037 -3.117 -6.060 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.478 -1.912 -8.105 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.089 -1.461 -7.584 1.00 0.00 H new ATOM 877 N TRP A 58 6.279 -3.159 -5.865 1.00 0.00 N ATOM 878 CA TRP A 58 7.424 -3.857 -5.212 1.00 0.00 C ATOM 879 C TRP A 58 8.734 -3.419 -5.873 1.00 0.00 C ATOM 880 O TRP A 58 9.171 -2.295 -5.721 1.00 0.00 O ATOM 881 CB TRP A 58 7.263 -5.372 -5.361 1.00 0.00 C ATOM 882 CG TRP A 58 8.399 -6.064 -4.674 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.375 -6.762 -5.298 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.691 -6.135 -3.249 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.250 -7.256 -4.346 1.00 0.00 N ATOM 886 CE2 TRP A 58 9.871 -6.897 -3.068 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.055 -5.618 -2.106 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.399 -7.137 -1.798 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.584 -5.858 -0.827 1.00 0.00 C ATOM 890 CH2 TRP A 58 9.753 -6.615 -0.673 1.00 0.00 C ATOM 0 H TRP A 58 6.519 -2.618 -6.696 1.00 0.00 H new ATOM 0 HA TRP A 58 7.443 -3.599 -4.153 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.314 -5.692 -4.930 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.242 -5.644 -6.416 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.458 -6.910 -6.365 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.074 -7.817 -4.562 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.154 -5.032 -2.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.300 -7.722 -1.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.086 -5.456 0.043 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.155 -6.795 0.313 1.00 0.00 H new ATOM 901 N ASN A 59 9.362 -4.297 -6.606 1.00 0.00 N ATOM 902 CA ASN A 59 10.642 -3.930 -7.276 1.00 0.00 C ATOM 903 C ASN A 59 10.350 -3.396 -8.678 1.00 0.00 C ATOM 904 O ASN A 59 9.683 -4.033 -9.469 1.00 0.00 O ATOM 905 CB ASN A 59 11.538 -5.166 -7.380 1.00 0.00 C ATOM 906 CG ASN A 59 12.931 -4.747 -7.856 1.00 0.00 C ATOM 907 OD1 ASN A 59 13.090 -4.334 -9.084 1.00 0.00 O flip ATOM 908 ND2 ASN A 59 13.883 -4.793 -7.103 1.00 0.00 N flip ATOM 0 H ASN A 59 9.044 -5.252 -6.770 1.00 0.00 H new ATOM 0 HA ASN A 59 11.148 -3.162 -6.692 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.607 -5.661 -6.411 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.105 -5.885 -8.076 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.759 -5.116 -6.143 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.806 -4.509 -7.430 1.00 0.00 H new ATOM 915 N MET A 60 10.847 -2.230 -8.993 1.00 0.00 N ATOM 916 CA MET A 60 10.607 -1.647 -10.344 1.00 0.00 C ATOM 917 C MET A 60 11.221 -0.238 -10.441 1.00 0.00 C ATOM 918 O MET A 60 11.937 0.035 -11.384 1.00 0.00 O ATOM 919 CB MET A 60 9.103 -1.579 -10.647 1.00 0.00 C ATOM 920 CG MET A 60 8.786 -2.460 -11.859 1.00 0.00 C ATOM 921 SD MET A 60 6.996 -2.501 -12.122 1.00 0.00 S ATOM 922 CE MET A 60 6.906 -1.117 -13.283 1.00 0.00 C ATOM 0 H MET A 60 11.412 -1.654 -8.369 1.00 0.00 H new ATOM 0 HA MET A 60 11.085 -2.294 -11.080 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.531 -1.914 -9.781 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.807 -0.549 -10.846 1.00 0.00 H new ATOM 0 HG2 MET A 60 9.286 -2.071 -12.746 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.164 -3.469 -11.697 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.870 -0.961 -13.584 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.284 -0.214 -12.803 1.00 0.00 H new ATOM 0 HE3 MET A 60 7.510 -1.340 -14.163 1.00 0.00 H new ATOM 932 N PRO A 61 10.937 0.633 -9.487 1.00 0.00 N ATOM 933 CA PRO A 61 11.487 2.002 -9.525 1.00 0.00 C ATOM 934 C PRO A 61 13.012 1.960 -9.404 1.00 0.00 C ATOM 935 O PRO A 61 13.624 0.914 -9.496 1.00 0.00 O ATOM 936 CB PRO A 61 10.868 2.715 -8.315 1.00 0.00 C ATOM 937 CG PRO A 61 9.949 1.703 -7.591 1.00 0.00 C ATOM 938 CD PRO A 61 10.069 0.355 -8.317 1.00 0.00 C ATOM 0 HA PRO A 61 11.256 2.515 -10.459 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.647 3.073 -7.642 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.298 3.587 -8.636 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.242 1.601 -6.546 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.916 2.051 -7.600 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.507 -0.405 -7.671 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.092 -0.016 -8.628 1.00 0.00 H new ATOM 946 N ASN A 62 13.632 3.090 -9.198 1.00 0.00 N ATOM 947 CA ASN A 62 15.116 3.114 -9.073 1.00 0.00 C ATOM 948 C ASN A 62 15.564 2.014 -8.108 1.00 0.00 C ATOM 949 O ASN A 62 15.914 0.923 -8.515 1.00 0.00 O ATOM 950 CB ASN A 62 15.562 4.476 -8.536 1.00 0.00 C ATOM 951 CG ASN A 62 14.407 5.127 -7.773 1.00 0.00 C ATOM 952 OD1 ASN A 62 13.711 4.412 -6.932 1.00 0.00 O flip ATOM 953 ND2 ASN A 62 14.136 6.300 -7.942 1.00 0.00 N flip ATOM 0 H ASN A 62 13.174 3.997 -9.111 1.00 0.00 H new ATOM 0 HA ASN A 62 15.565 2.945 -10.052 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.424 4.355 -7.879 1.00 0.00 H new ATOM 0 HB3 ASN A 62 15.876 5.118 -9.359 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.680 6.859 -8.599 1.00 0.00 H new ATOM 0 HD22 ASN A 62 13.365 6.725 -7.427 1.00 0.00 H new ATOM 960 N MET A 63 15.558 2.291 -6.834 1.00 0.00 N ATOM 961 CA MET A 63 15.984 1.261 -5.845 1.00 0.00 C ATOM 962 C MET A 63 14.939 0.145 -5.788 1.00 0.00 C ATOM 963 O MET A 63 14.690 -0.537 -6.763 1.00 0.00 O ATOM 964 CB MET A 63 16.115 1.905 -4.462 1.00 0.00 C ATOM 965 CG MET A 63 17.054 3.110 -4.543 1.00 0.00 C ATOM 966 SD MET A 63 18.735 2.540 -4.901 1.00 0.00 S ATOM 967 CE MET A 63 19.556 4.145 -4.744 1.00 0.00 C ATOM 0 H MET A 63 15.277 3.186 -6.434 1.00 0.00 H new ATOM 0 HA MET A 63 16.945 0.845 -6.146 1.00 0.00 H new ATOM 0 HB2 MET A 63 15.135 2.218 -4.102 1.00 0.00 H new ATOM 0 HB3 MET A 63 16.500 1.179 -3.747 1.00 0.00 H new ATOM 0 HG2 MET A 63 16.717 3.796 -5.321 1.00 0.00 H new ATOM 0 HG3 MET A 63 17.038 3.661 -3.603 1.00 0.00 H new ATOM 0 HE1 MET A 63 20.624 4.027 -4.928 1.00 0.00 H new ATOM 0 HE2 MET A 63 19.137 4.841 -5.471 1.00 0.00 H new ATOM 0 HE3 MET A 63 19.403 4.535 -3.738 1.00 0.00 H new ATOM 977 N ASP A 64 14.324 -0.044 -4.652 1.00 0.00 N ATOM 978 CA ASP A 64 13.293 -1.113 -4.525 1.00 0.00 C ATOM 979 C ASP A 64 12.187 -0.633 -3.584 1.00 0.00 C ATOM 980 O ASP A 64 12.430 0.117 -2.659 1.00 0.00 O ATOM 981 CB ASP A 64 13.937 -2.379 -3.954 1.00 0.00 C ATOM 982 CG ASP A 64 15.068 -1.990 -3.002 1.00 0.00 C ATOM 983 OD1 ASP A 64 14.811 -1.223 -2.088 1.00 0.00 O ATOM 984 OD2 ASP A 64 16.174 -2.466 -3.200 1.00 0.00 O ATOM 0 H ASP A 64 14.492 0.498 -3.804 1.00 0.00 H new ATOM 0 HA ASP A 64 12.871 -1.334 -5.505 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.191 -2.973 -3.426 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.325 -2.999 -4.762 1.00 0.00 H new ATOM 989 N GLY A 65 10.972 -1.052 -3.810 1.00 0.00 N ATOM 990 CA GLY A 65 9.859 -0.607 -2.925 1.00 0.00 C ATOM 991 C GLY A 65 10.174 -0.980 -1.473 1.00 0.00 C ATOM 992 O GLY A 65 9.484 -0.576 -0.559 1.00 0.00 O ATOM 0 H GLY A 65 10.703 -1.681 -4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.721 0.471 -3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.925 -1.074 -3.236 1.00 0.00 H new ATOM 996 N LEU A 66 11.211 -1.743 -1.246 1.00 0.00 N ATOM 997 CA LEU A 66 11.552 -2.120 0.155 1.00 0.00 C ATOM 998 C LEU A 66 12.175 -0.913 0.852 1.00 0.00 C ATOM 999 O LEU A 66 11.625 -0.381 1.793 1.00 0.00 O ATOM 1000 CB LEU A 66 12.534 -3.293 0.166 1.00 0.00 C ATOM 1001 CG LEU A 66 12.057 -4.339 1.178 1.00 0.00 C ATOM 1002 CD1 LEU A 66 13.059 -5.493 1.235 1.00 0.00 C ATOM 1003 CD2 LEU A 66 11.942 -3.699 2.564 1.00 0.00 C ATOM 0 H LEU A 66 11.831 -2.118 -1.964 1.00 0.00 H new ATOM 0 HA LEU A 66 10.647 -2.425 0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.602 -3.735 -0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.533 -2.944 0.429 1.00 0.00 H new ATOM 0 HG LEU A 66 11.082 -4.718 0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.718 -6.236 1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.140 -5.953 0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.034 -5.113 1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.602 -4.445 3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.916 -3.317 2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.226 -2.878 2.527 1.00 0.00 H new ATOM 1015 N GLU A 67 13.308 -0.454 0.392 1.00 0.00 N ATOM 1016 CA GLU A 67 13.924 0.738 1.028 1.00 0.00 C ATOM 1017 C GLU A 67 12.867 1.840 1.063 1.00 0.00 C ATOM 1018 O GLU A 67 12.879 2.718 1.903 1.00 0.00 O ATOM 1019 CB GLU A 67 15.125 1.191 0.198 1.00 0.00 C ATOM 1020 CG GLU A 67 16.331 0.306 0.518 1.00 0.00 C ATOM 1021 CD GLU A 67 17.222 1.007 1.548 1.00 0.00 C ATOM 1022 OE1 GLU A 67 17.821 2.009 1.197 1.00 0.00 O ATOM 1023 OE2 GLU A 67 17.289 0.527 2.668 1.00 0.00 O ATOM 0 H GLU A 67 13.828 -0.852 -0.391 1.00 0.00 H new ATOM 0 HA GLU A 67 14.266 0.509 2.037 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.889 1.132 -0.865 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.358 2.233 0.415 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.996 -0.656 0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.898 0.103 -0.391 1.00 0.00 H new ATOM 1030 N LEU A 68 11.936 1.768 0.152 1.00 0.00 N ATOM 1031 CA LEU A 68 10.833 2.767 0.092 1.00 0.00 C ATOM 1032 C LEU A 68 9.908 2.533 1.287 1.00 0.00 C ATOM 1033 O LEU A 68 9.333 3.447 1.840 1.00 0.00 O ATOM 1034 CB LEU A 68 10.064 2.532 -1.211 1.00 0.00 C ATOM 1035 CG LEU A 68 9.286 3.781 -1.627 1.00 0.00 C ATOM 1036 CD1 LEU A 68 8.712 3.558 -3.030 1.00 0.00 C ATOM 1037 CD2 LEU A 68 8.133 4.048 -0.651 1.00 0.00 C ATOM 0 H LEU A 68 11.893 1.045 -0.566 1.00 0.00 H new ATOM 0 HA LEU A 68 11.216 3.787 0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.760 2.254 -2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.375 1.697 -1.084 1.00 0.00 H new ATOM 0 HG LEU A 68 9.958 4.639 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.154 4.442 -3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.526 3.379 -3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.047 2.695 -3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.591 4.941 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.455 3.195 -0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.533 4.199 0.352 1.00 0.00 H new ATOM 1049 N LEU A 69 9.772 1.298 1.674 1.00 0.00 N ATOM 1050 CA LEU A 69 8.898 0.932 2.824 1.00 0.00 C ATOM 1051 C LEU A 69 9.706 1.053 4.123 1.00 0.00 C ATOM 1052 O LEU A 69 9.345 1.784 5.028 1.00 0.00 O ATOM 1053 CB LEU A 69 8.439 -0.519 2.591 1.00 0.00 C ATOM 1054 CG LEU A 69 7.854 -1.176 3.859 1.00 0.00 C ATOM 1055 CD1 LEU A 69 6.504 -0.553 4.210 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.634 -2.669 3.603 1.00 0.00 C ATOM 0 H LEU A 69 10.241 0.507 1.232 1.00 0.00 H new ATOM 0 HA LEU A 69 8.032 1.589 2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.688 -0.535 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.285 -1.110 2.239 1.00 0.00 H new ATOM 0 HG LEU A 69 8.555 -1.023 4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.106 -1.028 5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.632 0.514 4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.809 -0.700 3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.221 -3.135 4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.939 -2.797 2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.585 -3.140 3.355 1.00 0.00 H new ATOM 1068 N LYS A 70 10.791 0.331 4.219 1.00 0.00 N ATOM 1069 CA LYS A 70 11.633 0.381 5.450 1.00 0.00 C ATOM 1070 C LYS A 70 11.791 1.831 5.913 1.00 0.00 C ATOM 1071 O LYS A 70 11.623 2.138 7.076 1.00 0.00 O ATOM 1072 CB LYS A 70 13.009 -0.213 5.142 1.00 0.00 C ATOM 1073 CG LYS A 70 13.850 -0.272 6.421 1.00 0.00 C ATOM 1074 CD LYS A 70 14.954 -1.318 6.258 1.00 0.00 C ATOM 1075 CE LYS A 70 15.775 -1.401 7.546 1.00 0.00 C ATOM 1076 NZ LYS A 70 16.494 -2.706 7.594 1.00 0.00 N ATOM 0 H LYS A 70 11.133 -0.296 3.491 1.00 0.00 H new ATOM 0 HA LYS A 70 11.153 -0.194 6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.897 -1.213 4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.516 0.392 4.391 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.288 0.705 6.627 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.218 -0.524 7.273 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.517 -2.290 6.030 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.599 -1.054 5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 70 16.489 -0.579 7.588 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.122 -1.301 8.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.052 -2.763 8.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.804 -3.484 7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.128 -2.783 6.773 1.00 0.00 H new ATOM 1090 N THR A 71 12.107 2.725 5.018 1.00 0.00 N ATOM 1091 CA THR A 71 12.267 4.149 5.422 1.00 0.00 C ATOM 1092 C THR A 71 11.027 4.587 6.204 1.00 0.00 C ATOM 1093 O THR A 71 11.124 5.182 7.259 1.00 0.00 O ATOM 1094 CB THR A 71 12.423 5.024 4.177 1.00 0.00 C ATOM 1095 OG1 THR A 71 13.453 4.494 3.353 1.00 0.00 O ATOM 1096 CG2 THR A 71 12.789 6.450 4.594 1.00 0.00 C ATOM 0 H THR A 71 12.261 2.532 4.028 1.00 0.00 H new ATOM 0 HA THR A 71 13.154 4.256 6.046 1.00 0.00 H new ATOM 0 HB THR A 71 11.483 5.038 3.625 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.055 3.958 2.635 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.900 7.072 3.706 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.000 6.858 5.226 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.728 6.438 5.147 1.00 0.00 H new ATOM 1104 N ILE A 72 9.861 4.290 5.697 1.00 0.00 N ATOM 1105 CA ILE A 72 8.615 4.682 6.413 1.00 0.00 C ATOM 1106 C ILE A 72 8.681 4.156 7.848 1.00 0.00 C ATOM 1107 O ILE A 72 8.259 4.809 8.781 1.00 0.00 O ATOM 1108 CB ILE A 72 7.405 4.071 5.703 1.00 0.00 C ATOM 1109 CG1 ILE A 72 7.413 4.494 4.228 1.00 0.00 C ATOM 1110 CG2 ILE A 72 6.117 4.564 6.367 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.338 3.725 3.448 1.00 0.00 C ATOM 0 H ILE A 72 9.718 3.793 4.818 1.00 0.00 H new ATOM 0 HA ILE A 72 8.519 5.768 6.420 1.00 0.00 H new ATOM 0 HB ILE A 72 7.455 2.984 5.772 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.232 5.566 4.149 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.394 4.303 3.793 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.256 4.128 5.860 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.111 4.265 7.415 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.066 5.651 6.299 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.355 4.035 2.403 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.537 2.655 3.512 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.357 3.938 3.874 1.00 0.00 H new ATOM 1123 N ARG A 73 9.209 2.976 8.029 1.00 0.00 N ATOM 1124 CA ARG A 73 9.305 2.404 9.402 1.00 0.00 C ATOM 1125 C ARG A 73 10.564 2.935 10.092 1.00 0.00 C ATOM 1126 O ARG A 73 10.674 2.919 11.302 1.00 0.00 O ATOM 1127 CB ARG A 73 9.381 0.878 9.314 1.00 0.00 C ATOM 1128 CG ARG A 73 9.514 0.291 10.721 1.00 0.00 C ATOM 1129 CD ARG A 73 10.952 -0.173 10.951 1.00 0.00 C ATOM 1130 NE ARG A 73 11.298 -1.230 9.962 1.00 0.00 N ATOM 1131 CZ ARG A 73 12.528 -1.654 9.865 1.00 0.00 C ATOM 1132 NH1 ARG A 73 13.500 -0.967 10.399 1.00 0.00 N ATOM 1133 NH2 ARG A 73 12.787 -2.767 9.234 1.00 0.00 N ATOM 0 H ARG A 73 9.578 2.383 7.285 1.00 0.00 H new ATOM 0 HA ARG A 73 8.426 2.694 9.977 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.487 0.486 8.828 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.233 0.580 8.702 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.239 1.039 11.465 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.827 -0.547 10.843 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.637 0.669 10.853 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.063 -0.558 11.965 1.00 0.00 H new ATOM 0 HE ARG A 73 10.574 -1.623 9.360 1.00 0.00 H new ATOM 0 HH11 ARG A 73 13.299 -0.098 10.893 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.461 -1.299 10.323 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.028 -3.305 8.817 1.00 0.00 H new ATOM 0 HH22 ARG A 73 13.749 -3.098 9.158 1.00 0.00 H new ATOM 1147 N ALA A 74 11.516 3.402 9.333 1.00 0.00 N ATOM 1148 CA ALA A 74 12.768 3.928 9.947 1.00 0.00 C ATOM 1149 C ALA A 74 12.527 5.343 10.478 1.00 0.00 C ATOM 1150 O ALA A 74 13.152 5.775 11.425 1.00 0.00 O ATOM 1151 CB ALA A 74 13.877 3.962 8.893 1.00 0.00 C ATOM 0 H ALA A 74 11.482 3.442 8.314 1.00 0.00 H new ATOM 0 HA ALA A 74 13.066 3.279 10.771 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.793 4.347 9.341 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.052 2.954 8.517 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.576 4.610 8.069 1.00 0.00 H new ATOM 1157 N ASP A 75 11.625 6.068 9.874 1.00 0.00 N ATOM 1158 CA ASP A 75 11.349 7.454 10.346 1.00 0.00 C ATOM 1159 C ASP A 75 11.066 7.433 11.851 1.00 0.00 C ATOM 1160 O ASP A 75 11.860 7.898 12.644 1.00 0.00 O ATOM 1161 CB ASP A 75 10.138 8.017 9.600 1.00 0.00 C ATOM 1162 CG ASP A 75 10.231 9.544 9.554 1.00 0.00 C ATOM 1163 OD1 ASP A 75 10.508 10.132 10.586 1.00 0.00 O ATOM 1164 OD2 ASP A 75 10.025 10.098 8.486 1.00 0.00 O ATOM 0 H ASP A 75 11.069 5.761 9.076 1.00 0.00 H new ATOM 0 HA ASP A 75 12.216 8.085 10.151 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.101 7.614 8.588 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.217 7.713 10.098 1.00 0.00 H new ATOM 1169 N GLY A 76 9.941 6.892 12.246 1.00 0.00 N ATOM 1170 CA GLY A 76 9.596 6.833 13.699 1.00 0.00 C ATOM 1171 C GLY A 76 8.157 7.310 13.904 1.00 0.00 C ATOM 1172 O GLY A 76 7.302 6.564 14.340 1.00 0.00 O ATOM 0 H GLY A 76 9.244 6.487 11.621 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.708 5.814 14.069 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.282 7.457 14.272 1.00 0.00 H new ATOM 1176 N ALA A 77 7.883 8.548 13.594 1.00 0.00 N ATOM 1177 CA ALA A 77 6.500 9.075 13.771 1.00 0.00 C ATOM 1178 C ALA A 77 5.493 8.079 13.192 1.00 0.00 C ATOM 1179 O ALA A 77 4.352 8.023 13.607 1.00 0.00 O ATOM 1180 CB ALA A 77 6.369 10.413 13.038 1.00 0.00 C ATOM 0 H ALA A 77 8.558 9.218 13.225 1.00 0.00 H new ATOM 0 HA ALA A 77 6.300 9.217 14.833 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.358 10.801 13.166 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.085 11.125 13.449 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.570 10.268 11.977 1.00 0.00 H new ATOM 1186 N MET A 78 5.904 7.291 12.235 1.00 0.00 N ATOM 1187 CA MET A 78 4.967 6.303 11.632 1.00 0.00 C ATOM 1188 C MET A 78 5.047 4.984 12.399 1.00 0.00 C ATOM 1189 O MET A 78 4.047 4.341 12.648 1.00 0.00 O ATOM 1190 CB MET A 78 5.353 6.061 10.170 1.00 0.00 C ATOM 1191 CG MET A 78 4.902 7.249 9.318 1.00 0.00 C ATOM 1192 SD MET A 78 5.764 8.743 9.864 1.00 0.00 S ATOM 1193 CE MET A 78 6.631 9.085 8.313 1.00 0.00 C ATOM 0 H MET A 78 6.847 7.290 11.846 1.00 0.00 H new ATOM 0 HA MET A 78 3.950 6.693 11.684 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.432 5.928 10.085 1.00 0.00 H new ATOM 0 HB3 MET A 78 4.889 5.144 9.808 1.00 0.00 H new ATOM 0 HG2 MET A 78 5.114 7.057 8.266 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.824 7.385 9.406 1.00 0.00 H new ATOM 0 HE1 MET A 78 7.236 9.984 8.425 1.00 0.00 H new ATOM 0 HE2 MET A 78 7.276 8.242 8.063 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.904 9.234 7.515 1.00 0.00 H new ATOM 1203 N SER A 79 6.230 4.577 12.768 1.00 0.00 N ATOM 1204 CA SER A 79 6.387 3.296 13.513 1.00 0.00 C ATOM 1205 C SER A 79 6.230 2.128 12.538 1.00 0.00 C ATOM 1206 O SER A 79 7.125 1.327 12.368 1.00 0.00 O ATOM 1207 CB SER A 79 5.324 3.198 14.610 1.00 0.00 C ATOM 1208 OG SER A 79 5.885 2.560 15.750 1.00 0.00 O ATOM 0 H SER A 79 7.099 5.079 12.585 1.00 0.00 H new ATOM 0 HA SER A 79 7.374 3.261 13.973 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.965 4.193 14.875 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.464 2.634 14.250 1.00 0.00 H new ATOM 0 HG SER A 79 5.208 2.497 16.456 1.00 0.00 H new ATOM 1214 N ALA A 80 5.100 2.026 11.895 1.00 0.00 N ATOM 1215 CA ALA A 80 4.893 0.911 10.929 1.00 0.00 C ATOM 1216 C ALA A 80 3.936 1.359 9.824 1.00 0.00 C ATOM 1217 O ALA A 80 4.244 1.275 8.652 1.00 0.00 O ATOM 1218 CB ALA A 80 4.299 -0.293 11.663 1.00 0.00 C ATOM 0 H ALA A 80 4.312 2.666 11.996 1.00 0.00 H new ATOM 0 HA ALA A 80 5.849 0.633 10.486 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.147 -1.110 10.958 1.00 0.00 H new ATOM 0 HB2 ALA A 80 4.983 -0.614 12.448 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.343 -0.014 12.106 1.00 0.00 H new ATOM 1224 N LEU A 81 2.780 1.836 10.200 1.00 0.00 N ATOM 1225 CA LEU A 81 1.774 2.293 9.202 1.00 0.00 C ATOM 1226 C LEU A 81 1.410 1.107 8.271 1.00 0.00 C ATOM 1227 O LEU A 81 2.288 0.571 7.624 1.00 0.00 O ATOM 1228 CB LEU A 81 2.375 3.425 8.377 1.00 0.00 C ATOM 1229 CG LEU A 81 1.252 4.207 7.675 1.00 0.00 C ATOM 1230 CD1 LEU A 81 0.473 5.066 8.684 1.00 0.00 C ATOM 1231 CD2 LEU A 81 1.857 5.115 6.602 1.00 0.00 C ATOM 0 H LEU A 81 2.487 1.929 11.173 1.00 0.00 H new ATOM 0 HA LEU A 81 0.876 2.647 9.709 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.949 4.092 9.020 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.067 3.022 7.638 1.00 0.00 H new ATOM 0 HG LEU A 81 0.566 3.493 7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.316 5.610 8.166 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.031 4.423 9.445 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.151 5.775 9.158 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.062 5.670 6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.551 5.815 7.067 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.390 4.508 5.870 1.00 0.00 H new ATOM 1243 N PRO A 82 0.151 0.697 8.215 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.231 -0.441 7.357 1.00 0.00 C ATOM 1245 C PRO A 82 0.108 -0.197 5.883 1.00 0.00 C ATOM 1246 O PRO A 82 -0.222 0.826 5.307 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.744 -0.588 7.531 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.211 0.486 8.539 1.00 0.00 C ATOM 1249 CD PRO A 82 -0.979 1.298 8.962 1.00 0.00 C ATOM 0 HA PRO A 82 0.316 -1.339 7.644 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.252 -0.461 6.575 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.991 -1.586 7.894 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.960 1.136 8.086 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.677 0.019 9.407 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.098 2.353 8.716 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.817 1.238 10.038 1.00 0.00 H new ATOM 1257 N VAL A 83 0.735 -1.164 5.268 1.00 0.00 N ATOM 1258 CA VAL A 83 1.080 -1.060 3.824 1.00 0.00 C ATOM 1259 C VAL A 83 0.542 -2.283 3.122 1.00 0.00 C ATOM 1260 O VAL A 83 0.833 -3.398 3.511 1.00 0.00 O ATOM 1261 CB VAL A 83 2.597 -1.045 3.620 1.00 0.00 C ATOM 1262 CG1 VAL A 83 2.936 -1.594 2.219 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.112 0.385 3.730 1.00 0.00 C ATOM 0 H VAL A 83 1.026 -2.034 5.714 1.00 0.00 H new ATOM 0 HA VAL A 83 0.653 -0.138 3.430 1.00 0.00 H new ATOM 0 HB VAL A 83 3.067 -1.666 4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.016 -1.583 2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.569 -2.616 2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.463 -0.971 1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.192 0.395 3.585 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.638 1.002 2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.875 0.782 4.717 1.00 0.00 H new ATOM 1273 N LEU A 84 -0.203 -2.091 2.078 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.722 -3.257 1.334 1.00 0.00 C ATOM 1275 C LEU A 84 0.013 -3.339 0.001 1.00 0.00 C ATOM 1276 O LEU A 84 -0.543 -3.096 -1.052 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.228 -3.109 1.127 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.806 -4.357 0.451 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -2.567 -5.589 1.329 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -4.312 -4.168 0.255 1.00 0.00 C ATOM 0 H LEU A 84 -0.474 -1.179 1.710 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.553 -4.177 1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.718 -2.949 2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.432 -2.230 0.515 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.316 -4.502 -0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.981 -6.470 0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.496 -5.727 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.053 -5.448 2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.730 -5.052 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.789 -4.022 1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.490 -3.295 -0.373 1.00 0.00 H new ATOM 1292 N MET A 85 1.275 -3.671 0.049 1.00 0.00 N ATOM 1293 CA MET A 85 2.067 -3.761 -1.202 1.00 0.00 C ATOM 1294 C MET A 85 1.454 -4.838 -2.106 1.00 0.00 C ATOM 1295 O MET A 85 1.297 -5.975 -1.708 1.00 0.00 O ATOM 1296 CB MET A 85 3.525 -4.112 -0.871 1.00 0.00 C ATOM 1297 CG MET A 85 3.666 -5.615 -0.614 1.00 0.00 C ATOM 1298 SD MET A 85 5.256 -5.942 0.184 1.00 0.00 S ATOM 1299 CE MET A 85 5.517 -7.595 -0.505 1.00 0.00 C ATOM 0 H MET A 85 1.789 -3.883 0.904 1.00 0.00 H new ATOM 0 HA MET A 85 2.050 -2.802 -1.720 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.174 -3.815 -1.695 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.850 -3.554 0.007 1.00 0.00 H new ATOM 0 HG2 MET A 85 2.850 -5.965 0.019 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.599 -6.164 -1.553 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.461 -7.997 -0.138 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.701 -8.249 -0.200 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.547 -7.535 -1.593 1.00 0.00 H new ATOM 1309 N VAL A 86 1.093 -4.490 -3.313 1.00 0.00 N ATOM 1310 CA VAL A 86 0.482 -5.486 -4.233 1.00 0.00 C ATOM 1311 C VAL A 86 1.552 -6.019 -5.195 1.00 0.00 C ATOM 1312 O VAL A 86 2.243 -5.262 -5.841 1.00 0.00 O ATOM 1313 CB VAL A 86 -0.655 -4.803 -5.003 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -1.339 -3.774 -4.098 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.123 -4.091 -6.246 1.00 0.00 C ATOM 0 H VAL A 86 1.197 -3.552 -3.701 1.00 0.00 H new ATOM 0 HA VAL A 86 0.079 -6.329 -3.672 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.366 -5.569 -5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.147 -3.288 -4.645 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.745 -4.275 -3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.612 -3.025 -3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.949 -3.615 -6.774 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.602 -3.334 -5.949 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.358 -4.816 -6.903 1.00 0.00 H new ATOM 1325 N THR A 87 1.712 -7.317 -5.294 1.00 0.00 N ATOM 1326 CA THR A 87 2.757 -7.852 -6.218 1.00 0.00 C ATOM 1327 C THR A 87 2.342 -9.220 -6.759 1.00 0.00 C ATOM 1328 O THR A 87 1.862 -10.066 -6.035 1.00 0.00 O ATOM 1329 CB THR A 87 4.081 -7.984 -5.464 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.047 -8.591 -6.311 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.880 -8.844 -4.216 1.00 0.00 C ATOM 0 H THR A 87 1.174 -8.017 -4.784 1.00 0.00 H new ATOM 0 HA THR A 87 2.873 -7.163 -7.055 1.00 0.00 H new ATOM 0 HB THR A 87 4.428 -6.995 -5.165 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.897 -8.675 -5.830 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.825 -8.936 -3.681 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.140 -8.376 -3.567 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.531 -9.834 -4.509 1.00 0.00 H new ATOM 1339 N ALA A 88 2.536 -9.449 -8.030 1.00 0.00 N ATOM 1340 CA ALA A 88 2.163 -10.766 -8.615 1.00 0.00 C ATOM 1341 C ALA A 88 3.358 -11.717 -8.522 1.00 0.00 C ATOM 1342 O ALA A 88 3.224 -12.912 -8.696 1.00 0.00 O ATOM 1343 CB ALA A 88 1.772 -10.580 -10.083 1.00 0.00 C ATOM 0 H ALA A 88 2.937 -8.780 -8.687 1.00 0.00 H new ATOM 0 HA ALA A 88 1.319 -11.184 -8.066 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.499 -11.544 -10.512 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.923 -9.899 -10.150 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.615 -10.164 -10.634 1.00 0.00 H new ATOM 1349 N GLU A 89 4.526 -11.193 -8.251 1.00 0.00 N ATOM 1350 CA GLU A 89 5.740 -12.057 -8.148 1.00 0.00 C ATOM 1351 C GLU A 89 6.098 -12.269 -6.675 1.00 0.00 C ATOM 1352 O GLU A 89 7.255 -12.362 -6.316 1.00 0.00 O ATOM 1353 CB GLU A 89 6.911 -11.375 -8.857 1.00 0.00 C ATOM 1354 CG GLU A 89 6.436 -10.803 -10.194 1.00 0.00 C ATOM 1355 CD GLU A 89 7.626 -10.199 -10.944 1.00 0.00 C ATOM 1356 OE1 GLU A 89 8.514 -10.953 -11.309 1.00 0.00 O ATOM 1357 OE2 GLU A 89 7.628 -8.995 -11.141 1.00 0.00 O ATOM 0 H GLU A 89 4.691 -10.199 -8.096 1.00 0.00 H new ATOM 0 HA GLU A 89 5.537 -13.020 -8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.314 -10.579 -8.232 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.717 -12.090 -9.021 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.975 -11.588 -10.794 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.674 -10.042 -10.026 1.00 0.00 H new ATOM 1364 N ALA A 90 5.117 -12.348 -5.818 1.00 0.00 N ATOM 1365 CA ALA A 90 5.409 -12.556 -4.372 1.00 0.00 C ATOM 1366 C ALA A 90 6.111 -13.901 -4.181 1.00 0.00 C ATOM 1367 O ALA A 90 5.538 -14.947 -4.414 1.00 0.00 O ATOM 1368 CB ALA A 90 4.100 -12.553 -3.581 1.00 0.00 C ATOM 0 H ALA A 90 4.128 -12.278 -6.056 1.00 0.00 H new ATOM 0 HA ALA A 90 6.054 -11.753 -4.015 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.314 -12.705 -2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.596 -11.596 -3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.456 -13.356 -3.940 1.00 0.00 H new ATOM 1374 N LYS A 91 7.348 -13.881 -3.759 1.00 0.00 N ATOM 1375 CA LYS A 91 8.091 -15.158 -3.551 1.00 0.00 C ATOM 1376 C LYS A 91 8.061 -15.532 -2.066 1.00 0.00 C ATOM 1377 O LYS A 91 7.008 -15.639 -1.470 1.00 0.00 O ATOM 1378 CB LYS A 91 9.542 -14.985 -4.007 1.00 0.00 C ATOM 1379 CG LYS A 91 10.202 -16.360 -4.143 1.00 0.00 C ATOM 1380 CD LYS A 91 9.972 -16.902 -5.557 1.00 0.00 C ATOM 1381 CE LYS A 91 11.045 -16.349 -6.496 1.00 0.00 C ATOM 1382 NZ LYS A 91 10.471 -16.187 -7.862 1.00 0.00 N ATOM 0 H LYS A 91 7.876 -13.034 -3.549 1.00 0.00 H new ATOM 0 HA LYS A 91 7.620 -15.950 -4.133 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.574 -14.458 -4.961 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.090 -14.376 -3.288 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.270 -16.283 -3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.787 -17.048 -3.407 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.006 -17.991 -5.550 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.981 -16.616 -5.911 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.409 -15.390 -6.126 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.900 -17.024 -6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.199 -15.811 -8.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.144 -17.110 -8.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.668 -15.527 -7.825 1.00 0.00 H new ATOM 1396 N LYS A 92 9.212 -15.737 -1.472 1.00 0.00 N ATOM 1397 CA LYS A 92 9.267 -16.112 -0.026 1.00 0.00 C ATOM 1398 C LYS A 92 9.999 -15.024 0.765 1.00 0.00 C ATOM 1399 O LYS A 92 9.396 -14.098 1.267 1.00 0.00 O ATOM 1400 CB LYS A 92 10.020 -17.436 0.121 1.00 0.00 C ATOM 1401 CG LYS A 92 10.218 -17.749 1.606 1.00 0.00 C ATOM 1402 CD LYS A 92 10.144 -19.262 1.822 1.00 0.00 C ATOM 1403 CE LYS A 92 10.822 -19.624 3.146 1.00 0.00 C ATOM 1404 NZ LYS A 92 12.289 -19.390 3.033 1.00 0.00 N ATOM 0 H LYS A 92 10.120 -15.660 -1.930 1.00 0.00 H new ATOM 0 HA LYS A 92 8.253 -16.216 0.360 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.462 -18.239 -0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.986 -17.375 -0.381 1.00 0.00 H new ATOM 0 HG2 LYS A 92 11.182 -17.369 1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.453 -17.248 2.199 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.104 -19.588 1.833 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.632 -19.782 0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.408 -19.022 3.955 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.627 -20.668 3.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.793 -20.021 3.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.598 -19.585 2.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.502 -18.401 3.272 1.00 0.00 H new ATOM 1418 N GLU A 93 11.293 -15.136 0.887 1.00 0.00 N ATOM 1419 CA GLU A 93 12.064 -14.118 1.652 1.00 0.00 C ATOM 1420 C GLU A 93 11.642 -12.710 1.225 1.00 0.00 C ATOM 1421 O GLU A 93 11.879 -11.744 1.922 1.00 0.00 O ATOM 1422 CB GLU A 93 13.558 -14.305 1.382 1.00 0.00 C ATOM 1423 CG GLU A 93 13.806 -14.319 -0.127 1.00 0.00 C ATOM 1424 CD GLU A 93 14.822 -13.234 -0.489 1.00 0.00 C ATOM 1425 OE1 GLU A 93 14.480 -12.069 -0.374 1.00 0.00 O ATOM 1426 OE2 GLU A 93 15.923 -13.587 -0.875 1.00 0.00 O ATOM 0 H GLU A 93 11.851 -15.891 0.488 1.00 0.00 H new ATOM 0 HA GLU A 93 11.863 -14.243 2.716 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.126 -13.499 1.847 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.905 -15.238 1.827 1.00 0.00 H new ATOM 0 HG2 GLU A 93 14.177 -15.296 -0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.871 -14.149 -0.661 1.00 0.00 H new ATOM 1433 N ASN A 94 11.023 -12.582 0.082 1.00 0.00 N ATOM 1434 CA ASN A 94 10.596 -11.231 -0.384 1.00 0.00 C ATOM 1435 C ASN A 94 9.436 -10.729 0.478 1.00 0.00 C ATOM 1436 O ASN A 94 9.319 -9.551 0.754 1.00 0.00 O ATOM 1437 CB ASN A 94 10.148 -11.313 -1.844 1.00 0.00 C ATOM 1438 CG ASN A 94 11.018 -10.390 -2.699 1.00 0.00 C ATOM 1439 OD1 ASN A 94 10.516 -9.504 -3.362 1.00 0.00 O ATOM 1440 ND2 ASN A 94 12.311 -10.562 -2.712 1.00 0.00 N ATOM 0 H ASN A 94 10.795 -13.352 -0.547 1.00 0.00 H new ATOM 0 HA ASN A 94 11.434 -10.539 -0.298 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.227 -12.339 -2.202 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.100 -11.025 -1.930 1.00 0.00 H new ATOM 0 HD21 ASN A 94 12.901 -9.953 -3.279 1.00 0.00 H new ATOM 0 HD22 ASN A 94 12.732 -11.306 -2.155 1.00 0.00 H new ATOM 1447 N ILE A 95 8.575 -11.611 0.900 1.00 0.00 N ATOM 1448 CA ILE A 95 7.419 -11.184 1.738 1.00 0.00 C ATOM 1449 C ILE A 95 7.839 -11.122 3.208 1.00 0.00 C ATOM 1450 O ILE A 95 7.298 -10.361 3.984 1.00 0.00 O ATOM 1451 CB ILE A 95 6.276 -12.189 1.578 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.983 -12.398 0.089 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.022 -11.650 2.269 1.00 0.00 C ATOM 1454 CD1 ILE A 95 4.916 -13.481 -0.072 1.00 0.00 C ATOM 0 H ILE A 95 8.621 -12.610 0.701 1.00 0.00 H new ATOM 0 HA ILE A 95 7.087 -10.197 1.417 1.00 0.00 H new ATOM 0 HB ILE A 95 6.563 -13.138 2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.641 -11.465 -0.360 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.894 -12.689 -0.435 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.208 -12.366 2.155 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.227 -11.499 3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.737 -10.701 1.816 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.706 -13.631 -1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.276 -14.414 0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.004 -13.172 0.438 1.00 0.00 H new ATOM 1466 N ILE A 96 8.797 -11.918 3.603 1.00 0.00 N ATOM 1467 CA ILE A 96 9.238 -11.899 5.027 1.00 0.00 C ATOM 1468 C ILE A 96 10.041 -10.628 5.300 1.00 0.00 C ATOM 1469 O ILE A 96 9.676 -9.819 6.130 1.00 0.00 O ATOM 1470 CB ILE A 96 10.111 -13.120 5.315 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.464 -14.369 4.709 1.00 0.00 C ATOM 1472 CG2 ILE A 96 10.247 -13.296 6.828 1.00 0.00 C ATOM 1473 CD1 ILE A 96 7.988 -14.430 5.106 1.00 0.00 C ATOM 0 H ILE A 96 9.291 -12.578 3.003 1.00 0.00 H new ATOM 0 HA ILE A 96 8.360 -11.921 5.672 1.00 0.00 H new ATOM 0 HB ILE A 96 11.097 -12.976 4.873 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.558 -14.348 3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.981 -15.263 5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.869 -14.166 7.039 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.709 -12.407 7.258 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.260 -13.441 7.268 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.531 -15.320 4.673 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.905 -14.471 6.192 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.475 -13.542 4.736 1.00 0.00 H new ATOM 1485 N ALA A 97 11.134 -10.452 4.612 1.00 0.00 N ATOM 1486 CA ALA A 97 11.968 -9.234 4.830 1.00 0.00 C ATOM 1487 C ALA A 97 11.063 -8.007 4.879 1.00 0.00 C ATOM 1488 O ALA A 97 11.215 -7.140 5.716 1.00 0.00 O ATOM 1489 CB ALA A 97 12.970 -9.088 3.683 1.00 0.00 C ATOM 0 H ALA A 97 11.488 -11.099 3.907 1.00 0.00 H new ATOM 0 HA ALA A 97 12.510 -9.325 5.771 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.579 -8.198 3.843 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.614 -9.967 3.648 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.432 -8.995 2.740 1.00 0.00 H new ATOM 1495 N ALA A 98 10.113 -7.933 3.992 1.00 0.00 N ATOM 1496 CA ALA A 98 9.188 -6.770 3.990 1.00 0.00 C ATOM 1497 C ALA A 98 8.338 -6.795 5.262 1.00 0.00 C ATOM 1498 O ALA A 98 8.183 -5.799 5.938 1.00 0.00 O ATOM 1499 CB ALA A 98 8.278 -6.853 2.763 1.00 0.00 C ATOM 0 H ALA A 98 9.937 -8.629 3.267 1.00 0.00 H new ATOM 0 HA ALA A 98 9.761 -5.843 3.957 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.597 -6.002 2.757 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.885 -6.839 1.858 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.702 -7.778 2.799 1.00 0.00 H new ATOM 1505 N ALA A 99 7.776 -7.924 5.593 1.00 0.00 N ATOM 1506 CA ALA A 99 6.932 -8.002 6.816 1.00 0.00 C ATOM 1507 C ALA A 99 7.684 -7.394 8.002 1.00 0.00 C ATOM 1508 O ALA A 99 7.144 -6.603 8.750 1.00 0.00 O ATOM 1509 CB ALA A 99 6.605 -9.466 7.117 1.00 0.00 C ATOM 0 H ALA A 99 7.865 -8.795 5.070 1.00 0.00 H new ATOM 0 HA ALA A 99 6.008 -7.447 6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.987 -9.524 8.013 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.065 -9.899 6.275 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.530 -10.020 7.278 1.00 0.00 H new ATOM 1515 N GLN A 100 8.923 -7.760 8.185 1.00 0.00 N ATOM 1516 CA GLN A 100 9.703 -7.206 9.328 1.00 0.00 C ATOM 1517 C GLN A 100 9.718 -5.678 9.251 1.00 0.00 C ATOM 1518 O GLN A 100 9.900 -5.000 10.243 1.00 0.00 O ATOM 1519 CB GLN A 100 11.137 -7.735 9.270 1.00 0.00 C ATOM 1520 CG GLN A 100 11.191 -9.133 9.887 1.00 0.00 C ATOM 1521 CD GLN A 100 12.356 -9.915 9.279 1.00 0.00 C ATOM 1522 OE1 GLN A 100 12.132 -10.726 8.282 1.00 0.00 O flip ATOM 1523 NE2 GLN A 100 13.483 -9.786 9.716 1.00 0.00 N flip ATOM 0 H GLN A 100 9.429 -8.419 7.593 1.00 0.00 H new ATOM 0 HA GLN A 100 9.238 -7.514 10.265 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.482 -7.769 8.237 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.806 -7.063 9.807 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.313 -9.060 10.968 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.253 -9.658 9.706 1.00 0.00 H new ATOM 0 HE21 GLN A 100 13.658 -9.152 10.496 1.00 0.00 H new ATOM 0 HE22 GLN A 100 14.253 -10.312 9.303 1.00 0.00 H new ATOM 1532 N ALA A 101 9.533 -5.128 8.082 1.00 0.00 N ATOM 1533 CA ALA A 101 9.542 -3.640 7.953 1.00 0.00 C ATOM 1534 C ALA A 101 8.135 -3.088 8.224 1.00 0.00 C ATOM 1535 O ALA A 101 7.704 -3.012 9.358 1.00 0.00 O ATOM 1536 CB ALA A 101 9.997 -3.249 6.542 1.00 0.00 C ATOM 0 H ALA A 101 9.377 -5.640 7.214 1.00 0.00 H new ATOM 0 HA ALA A 101 10.235 -3.217 8.681 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.003 -2.163 6.450 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.001 -3.634 6.364 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.311 -3.672 5.808 1.00 0.00 H new ATOM 1542 N GLY A 102 7.419 -2.702 7.195 1.00 0.00 N ATOM 1543 CA GLY A 102 6.044 -2.154 7.386 1.00 0.00 C ATOM 1544 C GLY A 102 5.097 -2.762 6.345 1.00 0.00 C ATOM 1545 O GLY A 102 3.915 -2.494 6.332 1.00 0.00 O ATOM 0 H GLY A 102 7.733 -2.744 6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.688 -2.380 8.391 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.058 -1.068 7.289 1.00 0.00 H new ATOM 1549 N ALA A 103 5.620 -3.603 5.499 1.00 0.00 N ATOM 1550 CA ALA A 103 4.809 -4.290 4.442 1.00 0.00 C ATOM 1551 C ALA A 103 3.668 -5.097 5.067 1.00 0.00 C ATOM 1552 O ALA A 103 3.077 -5.934 4.415 1.00 0.00 O ATOM 1553 CB ALA A 103 5.706 -5.224 3.638 1.00 0.00 C ATOM 0 H ALA A 103 6.609 -3.854 5.492 1.00 0.00 H new ATOM 0 HA ALA A 103 4.381 -3.530 3.789 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.116 -5.723 2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.502 -4.648 3.167 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.143 -5.970 4.302 1.00 0.00 H new ATOM 1559 N SER A 104 3.419 -4.900 6.336 1.00 0.00 N ATOM 1560 CA SER A 104 2.372 -5.690 7.071 1.00 0.00 C ATOM 1561 C SER A 104 1.230 -6.141 6.151 1.00 0.00 C ATOM 1562 O SER A 104 0.663 -7.197 6.354 1.00 0.00 O ATOM 1563 CB SER A 104 1.784 -4.822 8.185 1.00 0.00 C ATOM 1564 OG SER A 104 2.826 -4.409 9.059 1.00 0.00 O ATOM 0 H SER A 104 3.905 -4.211 6.910 1.00 0.00 H new ATOM 0 HA SER A 104 2.854 -6.581 7.473 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.285 -3.952 7.759 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.030 -5.382 8.738 1.00 0.00 H new ATOM 0 HG SER A 104 2.452 -3.851 9.773 1.00 0.00 H new ATOM 1570 N GLY A 105 0.896 -5.381 5.140 1.00 0.00 N ATOM 1571 CA GLY A 105 -0.194 -5.812 4.220 1.00 0.00 C ATOM 1572 C GLY A 105 0.418 -6.286 2.900 1.00 0.00 C ATOM 1573 O GLY A 105 1.257 -5.623 2.324 1.00 0.00 O ATOM 0 H GLY A 105 1.329 -4.486 4.914 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.773 -6.615 4.675 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.882 -4.986 4.040 1.00 0.00 H new ATOM 1577 N TYR A 106 -0.004 -7.419 2.408 1.00 0.00 N ATOM 1578 CA TYR A 106 0.547 -7.918 1.115 1.00 0.00 C ATOM 1579 C TYR A 106 -0.539 -8.667 0.357 1.00 0.00 C ATOM 1580 O TYR A 106 -1.030 -9.686 0.800 1.00 0.00 O ATOM 1581 CB TYR A 106 1.718 -8.867 1.358 1.00 0.00 C ATOM 1582 CG TYR A 106 1.708 -9.954 0.298 1.00 0.00 C ATOM 1583 CD1 TYR A 106 1.799 -9.619 -1.064 1.00 0.00 C ATOM 1584 CD2 TYR A 106 1.613 -11.300 0.678 1.00 0.00 C ATOM 1585 CE1 TYR A 106 1.794 -10.631 -2.033 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.607 -12.305 -0.292 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.699 -11.973 -1.645 1.00 0.00 C ATOM 1588 OH TYR A 106 1.694 -12.968 -2.599 1.00 0.00 O ATOM 0 H TYR A 106 -0.704 -8.019 2.844 1.00 0.00 H new ATOM 0 HA TYR A 106 0.894 -7.063 0.536 1.00 0.00 H new ATOM 0 HB2 TYR A 106 2.659 -8.318 1.324 1.00 0.00 H new ATOM 0 HB3 TYR A 106 1.643 -9.310 2.351 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.873 -8.584 -1.363 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.544 -11.561 1.724 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.863 -10.376 -3.080 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.531 -13.341 0.005 1.00 0.00 H new ATOM 0 HH TYR A 106 1.623 -13.841 -2.160 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.901 -8.168 -0.789 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.944 -8.835 -1.612 1.00 0.00 C ATOM 1600 C VAL A 107 -1.317 -9.266 -2.930 1.00 0.00 C ATOM 1601 O VAL A 107 -0.539 -8.543 -3.517 1.00 0.00 O ATOM 1602 CB VAL A 107 -3.075 -7.853 -1.903 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.498 -6.613 -2.589 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -4.083 -8.523 -2.835 1.00 0.00 C ATOM 0 H VAL A 107 -0.514 -7.316 -1.195 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.341 -9.697 -1.076 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.566 -7.562 -0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.301 -5.907 -2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.764 -6.143 -1.934 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.017 -6.904 -3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.896 -7.830 -3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.589 -8.802 -3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.484 -9.416 -2.355 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.638 -10.426 -3.413 1.00 0.00 N ATOM 1615 CA VAL A 108 -1.038 -10.853 -4.698 1.00 0.00 C ATOM 1616 C VAL A 108 -1.862 -10.244 -5.842 1.00 0.00 C ATOM 1617 O VAL A 108 -2.945 -10.704 -6.143 1.00 0.00 O ATOM 1618 CB VAL A 108 -1.064 -12.382 -4.807 1.00 0.00 C ATOM 1619 CG1 VAL A 108 0.251 -12.886 -5.410 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -1.254 -12.992 -3.417 1.00 0.00 C ATOM 0 H VAL A 108 -2.281 -11.090 -2.981 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.003 -10.516 -4.754 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.891 -12.679 -5.452 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.224 -13.973 -5.484 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.383 -12.458 -6.404 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.082 -12.586 -4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.272 -14.079 -3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.430 -12.689 -2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.195 -12.643 -2.992 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.375 -9.208 -6.472 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.163 -8.584 -7.576 1.00 0.00 C ATOM 1632 C LYS A 109 -2.154 -9.518 -8.802 1.00 0.00 C ATOM 1633 O LYS A 109 -1.227 -10.287 -8.960 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.545 -7.216 -7.926 1.00 0.00 C ATOM 1635 CG LYS A 109 -0.790 -7.268 -9.264 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.043 -5.949 -9.476 1.00 0.00 C ATOM 1637 CE LYS A 109 0.288 -5.781 -10.960 1.00 0.00 C ATOM 1638 NZ LYS A 109 1.425 -4.828 -11.111 1.00 0.00 N ATOM 0 H LYS A 109 -0.475 -8.770 -6.273 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.196 -8.433 -7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.331 -6.463 -7.979 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.863 -6.910 -7.133 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.087 -8.101 -9.266 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.489 -7.439 -10.083 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.654 -5.114 -9.132 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.873 -5.939 -8.885 1.00 0.00 H new ATOM 0 HE2 LYS A 109 0.547 -6.745 -11.397 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.584 -5.411 -11.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 1.650 -4.713 -12.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.161 -3.906 -10.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.258 -5.199 -10.610 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.153 -9.414 -9.666 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.308 -8.491 -9.520 1.00 0.00 C ATOM 1654 C PRO A 110 -5.259 -8.999 -8.426 1.00 0.00 C ATOM 1655 O PRO A 110 -5.135 -10.114 -7.960 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.027 -8.552 -10.875 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.262 -9.557 -11.770 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.169 -10.205 -10.908 1.00 0.00 C ATOM 0 HA PRO A 110 -3.993 -7.484 -9.247 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.062 -8.867 -10.745 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.050 -7.567 -11.340 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.941 -10.315 -12.162 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.822 -9.048 -12.628 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.393 -11.253 -10.707 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.201 -10.176 -11.408 1.00 0.00 H new ATOM 1666 N PHE A 111 -6.204 -8.192 -8.013 1.00 0.00 N ATOM 1667 CA PHE A 111 -7.152 -8.642 -6.951 1.00 0.00 C ATOM 1668 C PHE A 111 -8.543 -8.086 -7.206 1.00 0.00 C ATOM 1669 O PHE A 111 -8.723 -7.070 -7.849 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.694 -8.131 -5.582 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.285 -6.688 -5.699 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.256 -5.684 -5.808 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -4.933 -6.357 -5.731 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.860 -4.350 -5.956 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.539 -5.026 -5.871 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.502 -4.020 -5.989 1.00 0.00 C ATOM 0 H PHE A 111 -6.359 -7.247 -8.363 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.172 -9.732 -6.967 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.499 -8.234 -4.855 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.858 -8.729 -5.219 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.305 -5.938 -5.778 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.187 -7.133 -5.647 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.605 -3.574 -6.045 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.489 -4.773 -5.888 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.198 -2.990 -6.105 1.00 0.00 H new ATOM 1686 N THR A 112 -9.519 -8.733 -6.650 1.00 0.00 N ATOM 1687 CA THR A 112 -10.919 -8.255 -6.779 1.00 0.00 C ATOM 1688 C THR A 112 -11.266 -7.546 -5.472 1.00 0.00 C ATOM 1689 O THR A 112 -10.736 -7.880 -4.431 1.00 0.00 O ATOM 1690 CB THR A 112 -11.858 -9.446 -6.986 1.00 0.00 C ATOM 1691 OG1 THR A 112 -11.139 -10.517 -7.582 1.00 0.00 O ATOM 1692 CG2 THR A 112 -13.013 -9.033 -7.899 1.00 0.00 C ATOM 0 H THR A 112 -9.407 -9.586 -6.103 1.00 0.00 H new ATOM 0 HA THR A 112 -11.027 -7.584 -7.631 1.00 0.00 H new ATOM 0 HB THR A 112 -12.256 -9.768 -6.023 1.00 0.00 H new ATOM 0 HG1 THR A 112 -11.739 -11.281 -7.713 1.00 0.00 H new ATOM 0 HG21 THR A 112 -13.682 -9.881 -8.046 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.564 -8.212 -7.440 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.618 -8.711 -8.862 1.00 0.00 H new ATOM 1700 N ALA A 113 -12.120 -6.563 -5.504 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.453 -5.848 -4.241 1.00 0.00 C ATOM 1702 C ALA A 113 -12.740 -6.869 -3.146 1.00 0.00 C ATOM 1703 O ALA A 113 -12.451 -6.646 -1.987 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.677 -4.956 -4.452 1.00 0.00 C ATOM 0 H ALA A 113 -12.598 -6.226 -6.340 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.610 -5.224 -3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.913 -4.437 -3.523 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.464 -4.225 -5.232 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.527 -5.569 -4.751 1.00 0.00 H new ATOM 1710 N ALA A 114 -13.280 -7.999 -3.501 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.545 -9.031 -2.469 1.00 0.00 C ATOM 1712 C ALA A 114 -12.201 -9.544 -1.967 1.00 0.00 C ATOM 1713 O ALA A 114 -12.017 -9.795 -0.791 1.00 0.00 O ATOM 1714 CB ALA A 114 -14.354 -10.180 -3.073 1.00 0.00 C ATOM 0 H ALA A 114 -13.547 -8.250 -4.453 1.00 0.00 H new ATOM 0 HA ALA A 114 -14.120 -8.607 -1.646 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.544 -10.933 -2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.303 -9.798 -3.450 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.793 -10.629 -3.892 1.00 0.00 H new ATOM 1720 N THR A 115 -11.248 -9.672 -2.847 1.00 0.00 N ATOM 1721 CA THR A 115 -9.907 -10.134 -2.416 1.00 0.00 C ATOM 1722 C THR A 115 -9.278 -9.022 -1.575 1.00 0.00 C ATOM 1723 O THR A 115 -9.137 -9.171 -0.378 1.00 0.00 O ATOM 1724 CB THR A 115 -9.046 -10.436 -3.638 1.00 0.00 C ATOM 1725 OG1 THR A 115 -9.470 -11.662 -4.220 1.00 0.00 O ATOM 1726 CG2 THR A 115 -7.576 -10.547 -3.226 1.00 0.00 C ATOM 0 H THR A 115 -11.343 -9.476 -3.844 1.00 0.00 H new ATOM 0 HA THR A 115 -9.984 -11.048 -1.827 1.00 0.00 H new ATOM 0 HB THR A 115 -9.153 -9.629 -4.362 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.920 -11.858 -5.007 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.967 -10.763 -4.104 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.251 -9.607 -2.781 1.00 0.00 H new ATOM 0 HG23 THR A 115 -7.462 -11.351 -2.499 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.912 -7.899 -2.171 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.323 -6.801 -1.351 1.00 0.00 C ATOM 1736 C LEU A 116 -9.137 -6.629 -0.061 1.00 0.00 C ATOM 1737 O LEU A 116 -8.592 -6.366 0.990 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.367 -5.495 -2.145 1.00 0.00 C ATOM 1739 CG LEU A 116 -7.112 -4.660 -1.848 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -5.874 -5.339 -2.439 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -7.260 -3.268 -2.467 1.00 0.00 C ATOM 0 H LEU A 116 -8.997 -7.707 -3.169 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.291 -7.050 -1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.427 -5.710 -3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -9.261 -4.930 -1.883 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.997 -4.575 -0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.991 -4.738 -2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.757 -6.329 -1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.992 -5.434 -3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -6.368 -2.679 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.385 -3.361 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.133 -2.772 -2.042 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.438 -6.775 -0.132 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.278 -6.613 1.087 1.00 0.00 C ATOM 1755 C GLU A 117 -10.850 -7.615 2.162 1.00 0.00 C ATOM 1756 O GLU A 117 -10.474 -7.246 3.262 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.744 -6.856 0.727 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.560 -7.067 2.003 1.00 0.00 C ATOM 1759 CD GLU A 117 -15.043 -6.844 1.703 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -15.401 -6.863 0.537 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -15.797 -6.659 2.645 1.00 0.00 O ATOM 0 H GLU A 117 -10.951 -7.000 -0.984 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.152 -5.601 1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -13.137 -6.006 0.169 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.830 -7.729 0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.403 -8.076 2.385 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.227 -6.377 2.778 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.920 -8.881 1.855 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.532 -9.922 2.849 1.00 0.00 C ATOM 1770 C GLU A 118 -9.216 -9.527 3.519 1.00 0.00 C ATOM 1771 O GLU A 118 -9.039 -9.697 4.709 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.358 -11.266 2.139 1.00 0.00 C ATOM 1773 CG GLU A 118 -11.168 -12.339 2.869 1.00 0.00 C ATOM 1774 CD GLU A 118 -10.649 -12.487 4.300 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -9.531 -12.069 4.550 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -11.378 -13.017 5.122 1.00 0.00 O ATOM 0 H GLU A 118 -11.231 -9.241 0.953 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.312 -10.007 3.605 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -10.689 -11.187 1.103 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.304 -11.544 2.117 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -12.224 -12.068 2.880 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.089 -13.290 2.342 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.291 -8.998 2.768 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.990 -8.594 3.368 1.00 0.00 C ATOM 1785 C LYS A 119 -7.236 -7.546 4.452 1.00 0.00 C ATOM 1786 O LYS A 119 -6.833 -7.708 5.586 1.00 0.00 O ATOM 1787 CB LYS A 119 -6.085 -8.007 2.284 1.00 0.00 C ATOM 1788 CG LYS A 119 -6.055 -8.942 1.071 1.00 0.00 C ATOM 1789 CD LYS A 119 -5.525 -10.319 1.487 1.00 0.00 C ATOM 1790 CE LYS A 119 -5.076 -11.099 0.249 1.00 0.00 C ATOM 1791 NZ LYS A 119 -4.400 -12.357 0.674 1.00 0.00 N ATOM 0 H LYS A 119 -8.380 -8.828 1.766 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.506 -9.466 3.807 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.448 -7.023 1.987 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.076 -7.870 2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -7.056 -9.040 0.651 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.422 -8.519 0.291 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.690 -10.204 2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.301 -10.873 2.015 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.936 -11.330 -0.380 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.396 -10.492 -0.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.094 -12.888 -0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.571 -12.125 1.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.062 -12.937 1.228 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.895 -6.470 4.118 1.00 0.00 N ATOM 1806 CA LEU A 120 -8.157 -5.422 5.143 1.00 0.00 C ATOM 1807 C LEU A 120 -8.752 -6.068 6.395 1.00 0.00 C ATOM 1808 O LEU A 120 -8.110 -6.169 7.414 1.00 0.00 O ATOM 1809 CB LEU A 120 -9.158 -4.385 4.611 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.748 -3.879 3.223 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -9.508 -2.588 2.919 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -7.247 -3.588 3.187 1.00 0.00 C ATOM 0 H LEU A 120 -8.261 -6.273 3.186 1.00 0.00 H new ATOM 0 HA LEU A 120 -7.213 -4.930 5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -10.152 -4.829 4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.219 -3.546 5.304 1.00 0.00 H new ATOM 0 HG LEU A 120 -8.983 -4.643 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -9.222 -2.221 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -10.580 -2.784 2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -9.264 -1.837 3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -6.970 -3.230 2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -7.006 -2.827 3.929 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -6.694 -4.500 3.411 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.986 -6.485 6.323 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.657 -7.097 7.513 1.00 0.00 C ATOM 1826 C ASN A 121 -9.702 -7.996 8.307 1.00 0.00 C ATOM 1827 O ASN A 121 -9.672 -7.955 9.521 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.857 -7.923 7.046 1.00 0.00 C ATOM 1829 CG ASN A 121 -13.152 -7.215 7.448 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -13.289 -6.022 7.259 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -14.113 -7.904 7.997 1.00 0.00 N ATOM 0 H ASN A 121 -10.566 -6.429 5.486 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.980 -6.289 8.169 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.823 -8.054 5.964 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -11.822 -8.918 7.489 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -14.981 -7.442 8.268 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -13.997 -8.905 8.155 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.941 -8.815 7.648 1.00 0.00 N ATOM 1839 CA LYS A 122 -8.012 -9.720 8.388 1.00 0.00 C ATOM 1840 C LYS A 122 -6.922 -8.905 9.093 1.00 0.00 C ATOM 1841 O LYS A 122 -6.418 -9.291 10.130 1.00 0.00 O ATOM 1842 CB LYS A 122 -7.361 -10.695 7.406 1.00 0.00 C ATOM 1843 CG LYS A 122 -6.172 -11.382 8.081 1.00 0.00 C ATOM 1844 CD LYS A 122 -5.936 -12.748 7.432 1.00 0.00 C ATOM 1845 CE LYS A 122 -5.756 -12.572 5.923 1.00 0.00 C ATOM 1846 NZ LYS A 122 -4.895 -11.384 5.660 1.00 0.00 N ATOM 0 H LYS A 122 -8.917 -8.901 6.632 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.580 -10.272 9.136 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -8.088 -11.439 7.080 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -7.029 -10.163 6.515 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -5.279 -10.764 7.987 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -6.365 -11.502 9.147 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.052 -13.219 7.862 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -6.779 -13.409 7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.302 -13.465 5.494 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.726 -12.445 5.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -4.339 -11.543 4.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -5.493 -10.542 5.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.252 -11.237 6.464 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.538 -7.794 8.531 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.464 -6.966 9.156 1.00 0.00 C ATOM 1862 C ILE A 123 -6.054 -5.944 10.131 1.00 0.00 C ATOM 1863 O ILE A 123 -5.496 -5.680 11.178 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.712 -6.223 8.053 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.680 -7.171 7.427 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -4.005 -4.998 8.646 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -3.049 -6.530 6.186 1.00 0.00 C ATOM 0 H ILE A 123 -6.922 -7.420 7.663 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.792 -7.623 9.708 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.413 -5.889 7.287 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.905 -7.407 8.156 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.159 -8.111 7.155 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.469 -4.470 7.857 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.744 -4.332 9.092 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.299 -5.320 9.411 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.319 -7.215 5.754 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -3.826 -6.317 5.452 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.552 -5.602 6.469 1.00 0.00 H new ATOM 1879 N PHE A 124 -7.154 -5.341 9.786 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.748 -4.312 10.677 1.00 0.00 C ATOM 1881 C PHE A 124 -8.139 -4.926 12.019 1.00 0.00 C ATOM 1882 O PHE A 124 -8.630 -4.248 12.899 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.961 -3.699 9.988 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.474 -2.638 9.031 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.654 -2.996 7.955 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.830 -1.297 9.220 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -7.194 -2.023 7.070 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -8.367 -0.320 8.329 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.549 -0.687 7.254 1.00 0.00 C ATOM 0 H PHE A 124 -7.668 -5.517 8.923 1.00 0.00 H new ATOM 0 HA PHE A 124 -7.013 -3.531 10.872 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.522 -4.465 9.453 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.637 -3.265 10.724 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.377 -4.030 7.810 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -9.460 -1.016 10.051 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -6.562 -2.304 6.241 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.641 0.715 8.471 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.192 0.065 6.566 1.00 0.00 H new ATOM 1899 N GLU A 125 -7.895 -6.193 12.201 1.00 0.00 N ATOM 1900 CA GLU A 125 -8.225 -6.816 13.509 1.00 0.00 C ATOM 1901 C GLU A 125 -7.143 -6.405 14.502 1.00 0.00 C ATOM 1902 O GLU A 125 -7.362 -6.342 15.696 1.00 0.00 O ATOM 1903 CB GLU A 125 -8.255 -8.340 13.369 1.00 0.00 C ATOM 1904 CG GLU A 125 -9.706 -8.821 13.330 1.00 0.00 C ATOM 1905 CD GLU A 125 -9.756 -10.253 12.794 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -9.134 -11.112 13.397 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -10.415 -10.466 11.789 1.00 0.00 O ATOM 0 H GLU A 125 -7.485 -6.818 11.507 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.205 -6.486 13.854 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -7.736 -8.642 12.459 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -7.730 -8.803 14.204 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.141 -8.780 14.329 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.301 -8.163 12.696 1.00 0.00 H new ATOM 1914 N LYS A 126 -5.979 -6.098 14.001 1.00 0.00 N ATOM 1915 CA LYS A 126 -4.871 -5.657 14.886 1.00 0.00 C ATOM 1916 C LYS A 126 -4.924 -4.133 14.989 1.00 0.00 C ATOM 1917 O LYS A 126 -4.550 -3.551 15.988 1.00 0.00 O ATOM 1918 CB LYS A 126 -3.533 -6.089 14.282 1.00 0.00 C ATOM 1919 CG LYS A 126 -3.379 -7.609 14.425 1.00 0.00 C ATOM 1920 CD LYS A 126 -2.786 -8.206 13.141 1.00 0.00 C ATOM 1921 CE LYS A 126 -1.349 -7.710 12.954 1.00 0.00 C ATOM 1922 NZ LYS A 126 -0.487 -8.270 14.032 1.00 0.00 N ATOM 0 H LYS A 126 -5.748 -6.135 13.008 1.00 0.00 H new ATOM 0 HA LYS A 126 -4.971 -6.105 15.875 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.487 -5.805 13.231 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -2.712 -5.580 14.786 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -2.733 -7.838 15.273 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -4.349 -8.062 14.631 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -2.801 -9.295 13.195 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -3.394 -7.921 12.282 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -0.972 -8.014 11.977 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -1.322 -6.621 12.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 0.508 -8.244 13.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -0.601 -7.704 14.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -0.765 -9.254 14.223 1.00 0.00 H new ATOM 1936 N LEU A 127 -5.405 -3.487 13.960 1.00 0.00 N ATOM 1937 CA LEU A 127 -5.509 -2.002 13.987 1.00 0.00 C ATOM 1938 C LEU A 127 -6.658 -1.614 14.921 1.00 0.00 C ATOM 1939 O LEU A 127 -6.643 -0.571 15.543 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.792 -1.483 12.564 1.00 0.00 C ATOM 1941 CG LEU A 127 -5.144 -0.104 12.348 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -5.630 0.873 13.418 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -3.615 -0.217 12.419 1.00 0.00 C ATOM 0 H LEU A 127 -5.731 -3.927 13.100 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.577 -1.563 14.344 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.406 -2.191 11.830 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.868 -1.414 12.404 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.430 0.263 11.362 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -5.167 1.847 13.259 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -6.714 0.972 13.355 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -5.356 0.498 14.404 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -3.170 0.766 12.264 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -3.323 -0.598 13.398 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -3.264 -0.900 11.645 1.00 0.00 H new ATOM 1955 N GLY A 128 -7.653 -2.453 15.033 1.00 0.00 N ATOM 1956 CA GLY A 128 -8.796 -2.134 15.933 1.00 0.00 C ATOM 1957 C GLY A 128 -9.435 -0.815 15.497 1.00 0.00 C ATOM 1958 O GLY A 128 -9.183 0.229 16.067 1.00 0.00 O ATOM 0 H GLY A 128 -7.723 -3.344 14.541 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -9.533 -2.936 15.900 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -8.451 -2.060 16.964 1.00 0.00 H new ATOM 1962 N MET A 129 -10.262 -0.854 14.490 1.00 0.00 N ATOM 1963 CA MET A 129 -10.919 0.396 14.015 1.00 0.00 C ATOM 1964 C MET A 129 -12.239 0.594 14.762 1.00 0.00 C ATOM 1965 O MET A 129 -12.960 1.515 14.417 1.00 0.00 O ATOM 1966 CB MET A 129 -11.198 0.282 12.515 1.00 0.00 C ATOM 1967 CG MET A 129 -11.375 -1.190 12.143 1.00 0.00 C ATOM 1968 SD MET A 129 -12.592 -1.950 13.247 1.00 0.00 S ATOM 1969 CE MET A 129 -12.413 -3.649 12.650 1.00 0.00 C ATOM 1970 OXT MET A 129 -12.506 -0.180 15.666 1.00 0.00 O ATOM 0 H MET A 129 -10.512 -1.698 13.975 1.00 0.00 H new ATOM 0 HA MET A 129 -10.264 1.246 14.203 1.00 0.00 H new ATOM 0 HB2 MET A 129 -12.095 0.844 12.257 1.00 0.00 H new ATOM 0 HB3 MET A 129 -10.375 0.716 11.947 1.00 0.00 H new ATOM 0 HG2 MET A 129 -11.703 -1.277 11.107 1.00 0.00 H new ATOM 0 HG3 MET A 129 -10.422 -1.713 12.220 1.00 0.00 H new ATOM 0 HE1 MET A 129 -13.086 -4.302 13.205 1.00 0.00 H new ATOM 0 HE2 MET A 129 -12.660 -3.690 11.589 1.00 0.00 H new ATOM 0 HE3 MET A 129 -11.385 -3.979 12.796 1.00 0.00 H new