USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 697 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 Set 1.1: A 17 SER OG : rot 180:sc= 0.0209 USER MOD Set 1.2: A 81 THR OG1 : rot 176:sc= 0.182 USER MOD Set 2.1: A 71 HIS : no HE2:sc= 0.462 K(o=0.94,f=-0.73) USER MOD Set 2.2: B 13 SER OG : rot 95:sc= 0.474 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0.774 K(o=0.77,f=-5.4!) USER MOD Single : A 16 ASN : amide:sc= 0.512 K(o=0.51,f=-4.6!) USER MOD Single : A 21 SER OG : rot -41:sc= 1.12 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc=-0.00713 K(o=-0.0071,f=-2.6!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -70:sc= 0.597 USER MOD Single : A 32 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-0.062) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 66:sc= 1.28 USER MOD Single : A 53 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.012) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.012) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -93:sc= 0.0506 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 77 THR OG1 : rot 75:sc= 1.22 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-0.084) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 GLN : amide:sc= -0.0768 X(o=-0.077,f=0) USER MOD ----------------------------------------------------------------- ATOM 53 N GLY A 4 -12.645 7.581 -10.266 1.00 0.00 N ATOM 54 CA GLY A 4 -11.512 7.076 -9.555 1.00 0.00 C ATOM 55 C GLY A 4 -10.692 6.184 -10.422 1.00 0.00 C ATOM 56 O GLY A 4 -10.824 4.963 -10.367 1.00 0.00 O ATOM 0 HA2 GLY A 4 -10.901 7.906 -9.200 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.846 6.527 -8.675 1.00 0.00 H new ATOM 60 N ASP A 5 -9.824 6.760 -11.274 1.00 0.00 N ATOM 61 CA ASP A 5 -8.922 6.051 -12.127 1.00 0.00 C ATOM 62 C ASP A 5 -7.653 5.613 -11.481 1.00 0.00 C ATOM 63 O ASP A 5 -7.440 5.768 -10.280 1.00 0.00 O ATOM 64 CB ASP A 5 -8.721 6.834 -13.435 1.00 0.00 C ATOM 65 CG ASP A 5 -8.131 8.223 -13.238 1.00 0.00 C ATOM 66 OD1 ASP A 5 -8.796 9.095 -12.618 1.00 0.00 O ATOM 67 OD2 ASP A 5 -7.019 8.485 -13.769 1.00 0.00 O ATOM 0 H ASP A 5 -9.748 7.772 -11.372 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.393 5.098 -12.368 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -8.066 6.262 -14.092 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.681 6.926 -13.943 1.00 0.00 H new ATOM 72 N ILE A 6 -6.750 4.995 -12.264 1.00 0.00 N ATOM 73 CA ILE A 6 -5.486 4.489 -11.825 1.00 0.00 C ATOM 74 C ILE A 6 -4.448 5.549 -11.955 1.00 0.00 C ATOM 75 O ILE A 6 -4.334 6.224 -12.976 1.00 0.00 O ATOM 76 CB ILE A 6 -5.092 3.241 -12.555 1.00 0.00 C ATOM 77 CG1 ILE A 6 -5.973 2.038 -12.176 1.00 0.00 C ATOM 78 CG2 ILE A 6 -3.628 2.849 -12.293 1.00 0.00 C ATOM 79 CD1 ILE A 6 -7.351 1.970 -12.835 1.00 0.00 C ATOM 0 H ILE A 6 -6.912 4.840 -13.259 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.577 4.212 -10.775 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.228 3.479 -13.610 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.430 1.126 -12.424 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.111 2.043 -11.095 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.391 1.939 -12.844 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.971 3.654 -12.623 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.483 2.676 -11.227 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.876 1.080 -12.489 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.926 2.857 -12.568 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.235 1.925 -13.918 1.00 0.00 H new ATOM 91 N PHE A 7 -3.611 5.745 -10.919 1.00 0.00 N ATOM 92 CA PHE A 7 -2.548 6.701 -10.929 1.00 0.00 C ATOM 93 C PHE A 7 -1.278 6.104 -10.433 1.00 0.00 C ATOM 94 O PHE A 7 -1.264 5.080 -9.751 1.00 0.00 O ATOM 95 CB PHE A 7 -2.893 8.019 -10.214 1.00 0.00 C ATOM 96 CG PHE A 7 -3.002 7.964 -8.728 1.00 0.00 C ATOM 97 CD1 PHE A 7 -4.038 7.295 -8.120 1.00 0.00 C ATOM 98 CD2 PHE A 7 -2.102 8.645 -7.944 1.00 0.00 C ATOM 99 CE1 PHE A 7 -4.194 7.331 -6.754 1.00 0.00 C ATOM 100 CE2 PHE A 7 -2.247 8.690 -6.577 1.00 0.00 C ATOM 101 CZ PHE A 7 -3.303 8.041 -5.984 1.00 0.00 C ATOM 0 H PHE A 7 -3.677 5.221 -10.047 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.400 6.977 -11.973 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.133 8.756 -10.473 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.840 8.385 -10.612 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.738 6.735 -8.722 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.269 9.152 -8.408 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.013 6.804 -6.288 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.535 9.232 -5.973 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.433 8.089 -4.913 1.00 0.00 H new ATOM 111 N GLU A 8 -0.140 6.725 -10.796 1.00 0.00 N ATOM 112 CA GLU A 8 1.151 6.311 -10.341 1.00 0.00 C ATOM 113 C GLU A 8 1.804 7.385 -9.542 1.00 0.00 C ATOM 114 O GLU A 8 1.735 8.571 -9.860 1.00 0.00 O ATOM 115 CB GLU A 8 2.056 5.871 -11.504 1.00 0.00 C ATOM 116 CG GLU A 8 2.573 6.982 -12.419 1.00 0.00 C ATOM 117 CD GLU A 8 3.304 6.406 -13.624 1.00 0.00 C ATOM 118 OE1 GLU A 8 4.216 5.557 -13.436 1.00 0.00 O ATOM 119 OE2 GLU A 8 2.966 6.811 -14.768 1.00 0.00 O ATOM 0 H GLU A 8 -0.117 7.532 -11.419 1.00 0.00 H new ATOM 0 HA GLU A 8 1.002 5.444 -9.697 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.914 5.343 -11.089 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.505 5.154 -12.114 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.739 7.597 -12.756 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.244 7.634 -11.860 1.00 0.00 H new ATOM 126 N VAL A 9 2.491 7.002 -8.451 1.00 0.00 N ATOM 127 CA VAL A 9 3.385 7.873 -7.753 1.00 0.00 C ATOM 128 C VAL A 9 4.791 7.539 -8.119 1.00 0.00 C ATOM 129 O VAL A 9 5.151 6.384 -8.344 1.00 0.00 O ATOM 130 CB VAL A 9 3.190 7.923 -6.267 1.00 0.00 C ATOM 131 CG1 VAL A 9 1.781 8.466 -5.971 1.00 0.00 C ATOM 132 CG2 VAL A 9 3.382 6.550 -5.602 1.00 0.00 C ATOM 0 H VAL A 9 2.424 6.068 -8.045 1.00 0.00 H new ATOM 0 HA VAL A 9 3.147 8.886 -8.079 1.00 0.00 H new ATOM 0 HB VAL A 9 3.949 8.582 -5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.626 8.507 -4.893 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.681 9.467 -6.391 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.036 7.809 -6.420 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.230 6.642 -4.527 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.660 5.843 -6.011 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.392 6.190 -5.796 1.00 0.00 H new ATOM 142 N GLU A 10 5.635 8.580 -8.232 1.00 0.00 N ATOM 143 CA GLU A 10 7.042 8.503 -8.476 1.00 0.00 C ATOM 144 C GLU A 10 7.687 9.338 -7.424 1.00 0.00 C ATOM 145 O GLU A 10 8.079 10.480 -7.658 1.00 0.00 O ATOM 146 CB GLU A 10 7.413 9.077 -9.853 1.00 0.00 C ATOM 147 CG GLU A 10 6.755 8.424 -11.071 1.00 0.00 C ATOM 148 CD GLU A 10 7.066 9.144 -12.375 1.00 0.00 C ATOM 149 OE1 GLU A 10 7.670 10.249 -12.359 1.00 0.00 O ATOM 150 OE2 GLU A 10 6.682 8.621 -13.455 1.00 0.00 O ATOM 0 H GLU A 10 5.310 9.543 -8.147 1.00 0.00 H new ATOM 0 HA GLU A 10 7.368 7.463 -8.456 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.161 10.138 -9.858 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.494 9.005 -9.971 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.089 7.389 -11.146 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.675 8.401 -10.924 1.00 0.00 H new ATOM 157 N LEU A 11 7.774 8.826 -6.184 1.00 0.00 N ATOM 158 CA LEU A 11 8.120 9.609 -5.038 1.00 0.00 C ATOM 159 C LEU A 11 9.440 9.184 -4.495 1.00 0.00 C ATOM 160 O LEU A 11 10.027 8.190 -4.922 1.00 0.00 O ATOM 161 CB LEU A 11 6.996 9.536 -3.990 1.00 0.00 C ATOM 162 CG LEU A 11 6.629 10.870 -3.320 1.00 0.00 C ATOM 163 CD1 LEU A 11 6.075 11.902 -4.317 1.00 0.00 C ATOM 164 CD2 LEU A 11 5.591 10.638 -2.209 1.00 0.00 C ATOM 0 H LEU A 11 7.600 7.844 -5.972 1.00 0.00 H new ATOM 0 HA LEU A 11 8.222 10.655 -5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.104 9.131 -4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.291 8.829 -3.215 1.00 0.00 H new ATOM 0 HG LEU A 11 7.551 11.273 -2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.833 12.824 -3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.824 12.108 -5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.175 11.506 -4.788 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.339 11.590 -1.742 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.692 10.195 -2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.005 9.964 -1.459 1.00 0.00 H new ATOM 176 N ALA A 12 9.995 9.939 -3.530 1.00 0.00 N ATOM 177 CA ALA A 12 11.254 9.604 -2.938 1.00 0.00 C ATOM 178 C ALA A 12 11.232 9.989 -1.499 1.00 0.00 C ATOM 179 O ALA A 12 10.399 10.774 -1.050 1.00 0.00 O ATOM 180 CB ALA A 12 12.411 10.312 -3.663 1.00 0.00 C ATOM 0 H ALA A 12 9.569 10.787 -3.157 1.00 0.00 H new ATOM 0 HA ALA A 12 11.414 8.530 -3.029 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.356 10.040 -3.193 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.425 10.007 -4.709 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.273 11.391 -3.601 1.00 0.00 H new ATOM 186 N LYS A 13 12.149 9.419 -0.697 1.00 0.00 N ATOM 187 CA LYS A 13 12.285 9.700 0.699 1.00 0.00 C ATOM 188 C LYS A 13 12.775 11.083 0.964 1.00 0.00 C ATOM 189 O LYS A 13 13.898 11.454 0.627 1.00 0.00 O ATOM 190 CB LYS A 13 13.213 8.674 1.369 1.00 0.00 C ATOM 191 CG LYS A 13 13.431 8.919 2.863 1.00 0.00 C ATOM 192 CD LYS A 13 13.713 7.618 3.616 1.00 0.00 C ATOM 193 CE LYS A 13 13.809 7.787 5.134 1.00 0.00 C ATOM 194 NZ LYS A 13 15.061 8.479 5.512 1.00 0.00 N ATOM 0 H LYS A 13 12.824 8.733 -1.035 1.00 0.00 H new ATOM 0 HA LYS A 13 11.287 9.624 1.131 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.795 7.677 1.231 1.00 0.00 H new ATOM 0 HB3 LYS A 13 14.179 8.688 0.864 1.00 0.00 H new ATOM 0 HG2 LYS A 13 14.265 9.607 3.001 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.548 9.400 3.285 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.924 6.901 3.390 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.646 7.192 3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.952 8.355 5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.770 6.810 5.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.102 8.581 6.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.877 7.923 5.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.085 9.420 5.070 1.00 0.00 H new ATOM 208 N ASN A 14 11.904 11.918 1.562 1.00 0.00 N ATOM 209 CA ASN A 14 12.181 13.275 1.916 1.00 0.00 C ATOM 210 C ASN A 14 12.145 13.426 3.398 1.00 0.00 C ATOM 211 O ASN A 14 13.186 13.441 4.051 1.00 0.00 O ATOM 212 CB ASN A 14 11.285 14.256 1.141 1.00 0.00 C ATOM 213 CG ASN A 14 9.856 13.773 0.944 1.00 0.00 C ATOM 214 OD1 ASN A 14 9.120 13.552 1.904 1.00 0.00 O ATOM 215 ND2 ASN A 14 9.424 13.625 -0.337 1.00 0.00 N ATOM 0 H ASN A 14 10.958 11.630 1.811 1.00 0.00 H new ATOM 0 HA ASN A 14 13.193 13.541 1.609 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.265 15.208 1.671 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.731 14.444 0.164 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.467 13.323 -0.521 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.057 13.816 -1.114 1.00 0.00 H new ATOM 222 N ASP A 15 10.952 13.517 4.013 1.00 0.00 N ATOM 223 CA ASP A 15 10.789 13.526 5.433 1.00 0.00 C ATOM 224 C ASP A 15 10.806 12.135 5.967 1.00 0.00 C ATOM 225 O ASP A 15 11.441 11.830 6.975 1.00 0.00 O ATOM 226 CB ASP A 15 9.469 14.219 5.813 1.00 0.00 C ATOM 227 CG ASP A 15 9.610 14.862 7.185 1.00 0.00 C ATOM 228 OD1 ASP A 15 10.408 15.830 7.300 1.00 0.00 O ATOM 229 OD2 ASP A 15 8.973 14.392 8.166 1.00 0.00 O ATOM 0 H ASP A 15 10.071 13.587 3.504 1.00 0.00 H new ATOM 0 HA ASP A 15 11.618 14.080 5.872 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.216 14.975 5.070 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.655 13.494 5.821 1.00 0.00 H new ATOM 234 N ASN A 16 10.089 11.234 5.272 1.00 0.00 N ATOM 235 CA ASN A 16 9.940 9.858 5.632 1.00 0.00 C ATOM 236 C ASN A 16 9.924 9.059 4.374 1.00 0.00 C ATOM 237 O ASN A 16 10.057 9.607 3.281 1.00 0.00 O ATOM 238 CB ASN A 16 8.633 9.685 6.425 1.00 0.00 C ATOM 239 CG ASN A 16 8.778 8.629 7.512 1.00 0.00 C ATOM 240 OD1 ASN A 16 8.944 7.442 7.235 1.00 0.00 O ATOM 241 ND2 ASN A 16 8.720 9.066 8.799 1.00 0.00 N ATOM 0 H ASN A 16 9.589 11.477 4.417 1.00 0.00 H new ATOM 0 HA ASN A 16 10.761 9.517 6.262 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.350 10.636 6.875 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.828 9.402 5.746 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.815 8.402 9.568 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.581 10.057 8.995 1.00 0.00 H new ATOM 248 N SER A 17 9.742 7.731 4.483 1.00 0.00 N ATOM 249 CA SER A 17 9.656 6.827 3.378 1.00 0.00 C ATOM 250 C SER A 17 8.260 6.834 2.856 1.00 0.00 C ATOM 251 O SER A 17 7.963 7.544 1.897 1.00 0.00 O ATOM 252 CB SER A 17 10.103 5.403 3.750 1.00 0.00 C ATOM 253 OG SER A 17 10.096 4.525 2.633 1.00 0.00 O ATOM 0 H SER A 17 9.650 7.265 5.386 1.00 0.00 H new ATOM 0 HA SER A 17 10.341 7.165 2.601 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.106 5.439 4.174 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.444 5.008 4.523 1.00 0.00 H new ATOM 0 HG SER A 17 10.388 3.633 2.916 1.00 0.00 H new ATOM 259 N LEU A 18 7.341 6.062 3.461 1.00 0.00 N ATOM 260 CA LEU A 18 5.958 6.038 3.098 1.00 0.00 C ATOM 261 C LEU A 18 5.187 6.844 4.085 1.00 0.00 C ATOM 262 O LEU A 18 5.182 8.072 4.020 1.00 0.00 O ATOM 263 CB LEU A 18 5.483 4.587 2.912 1.00 0.00 C ATOM 264 CG LEU A 18 5.723 3.991 1.515 1.00 0.00 C ATOM 265 CD1 LEU A 18 7.198 3.903 1.088 1.00 0.00 C ATOM 266 CD2 LEU A 18 5.127 2.577 1.411 1.00 0.00 C ATOM 0 H LEU A 18 7.568 5.432 4.230 1.00 0.00 H new ATOM 0 HA LEU A 18 5.787 6.507 2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.987 3.960 3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.416 4.541 3.130 1.00 0.00 H new ATOM 0 HG LEU A 18 5.228 4.693 0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.263 3.470 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.634 4.902 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.744 3.275 1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.310 2.177 0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.595 1.930 2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.053 2.620 1.593 1.00 0.00 H new ATOM 278 N GLY A 19 4.522 6.214 5.071 1.00 0.00 N ATOM 279 CA GLY A 19 3.831 6.891 6.124 1.00 0.00 C ATOM 280 C GLY A 19 2.351 6.974 5.965 1.00 0.00 C ATOM 281 O GLY A 19 1.779 8.062 5.955 1.00 0.00 O ATOM 0 H GLY A 19 4.464 5.198 5.137 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.051 6.386 7.064 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.228 7.903 6.205 1.00 0.00 H new ATOM 285 N ILE A 20 1.661 5.821 5.890 1.00 0.00 N ATOM 286 CA ILE A 20 0.234 5.760 5.937 1.00 0.00 C ATOM 287 C ILE A 20 -0.150 4.633 6.832 1.00 0.00 C ATOM 288 O ILE A 20 0.708 3.892 7.310 1.00 0.00 O ATOM 289 CB ILE A 20 -0.378 5.733 4.567 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.562 6.710 4.464 1.00 0.00 C ATOM 291 CG2 ILE A 20 -0.758 4.336 4.047 1.00 0.00 C ATOM 292 CD1 ILE A 20 -1.973 7.025 3.027 1.00 0.00 C ATOM 0 H ILE A 20 2.107 4.909 5.794 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.181 6.672 6.367 1.00 0.00 H new ATOM 0 HB ILE A 20 0.419 6.067 3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.417 6.289 4.993 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.300 7.639 4.970 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.192 4.424 3.051 1.00 0.00 H new ATOM 0 HG22 ILE A 20 0.133 3.710 4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.485 3.883 4.720 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.813 7.720 3.033 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.133 7.476 2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.267 6.105 2.522 1.00 0.00 H new ATOM 304 N SER A 21 -1.445 4.423 7.125 1.00 0.00 N ATOM 305 CA SER A 21 -1.889 3.291 7.877 1.00 0.00 C ATOM 306 C SER A 21 -2.859 2.520 7.050 1.00 0.00 C ATOM 307 O SER A 21 -3.592 3.064 6.226 1.00 0.00 O ATOM 308 CB SER A 21 -2.479 3.639 9.254 1.00 0.00 C ATOM 309 OG SER A 21 -3.693 4.372 9.197 1.00 0.00 O ATOM 0 H SER A 21 -2.196 5.049 6.835 1.00 0.00 H new ATOM 0 HA SER A 21 -1.012 2.685 8.102 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.650 2.716 9.807 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.745 4.216 9.816 1.00 0.00 H new ATOM 0 HG SER A 21 -3.634 5.048 8.490 1.00 0.00 H new ATOM 315 N VAL A 22 -2.835 1.185 7.208 1.00 0.00 N ATOM 316 CA VAL A 22 -3.504 0.242 6.366 1.00 0.00 C ATOM 317 C VAL A 22 -4.392 -0.580 7.235 1.00 0.00 C ATOM 318 O VAL A 22 -4.314 -0.499 8.459 1.00 0.00 O ATOM 319 CB VAL A 22 -2.461 -0.522 5.604 1.00 0.00 C ATOM 320 CG1 VAL A 22 -2.996 -1.703 4.779 1.00 0.00 C ATOM 321 CG2 VAL A 22 -1.760 0.429 4.619 1.00 0.00 C ATOM 0 H VAL A 22 -2.319 0.739 7.966 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.147 0.697 5.613 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.794 -0.929 6.364 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.169 -2.192 4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.485 -2.417 5.441 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.714 -1.338 4.045 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.001 -0.119 4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.494 0.840 3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.288 1.242 5.171 1.00 0.00 H new ATOM 331 N THR A 23 -5.312 -1.362 6.644 1.00 0.00 N ATOM 332 CA THR A 23 -6.269 -2.167 7.339 1.00 0.00 C ATOM 333 C THR A 23 -6.347 -3.498 6.674 1.00 0.00 C ATOM 334 O THR A 23 -7.329 -3.909 6.059 1.00 0.00 O ATOM 335 CB THR A 23 -7.600 -1.482 7.443 1.00 0.00 C ATOM 336 OG1 THR A 23 -8.599 -2.256 8.092 1.00 0.00 O ATOM 337 CG2 THR A 23 -8.157 -0.986 6.098 1.00 0.00 C ATOM 0 H THR A 23 -5.393 -1.437 5.630 1.00 0.00 H new ATOM 0 HA THR A 23 -5.946 -2.317 8.369 1.00 0.00 H new ATOM 0 HB THR A 23 -7.372 -0.616 8.064 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.436 -1.748 8.125 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.121 -0.503 6.259 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.462 -0.271 5.658 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.284 -1.832 5.422 1.00 0.00 H new ATOM 345 N GLY A 24 -5.247 -4.263 6.782 1.00 0.00 N ATOM 346 CA GLY A 24 -5.179 -5.596 6.270 1.00 0.00 C ATOM 347 C GLY A 24 -4.932 -5.631 4.802 1.00 0.00 C ATOM 348 O GLY A 24 -4.087 -4.908 4.274 1.00 0.00 O ATOM 0 H GLY A 24 -4.388 -3.950 7.234 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.384 -6.138 6.782 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.112 -6.115 6.491 1.00 0.00 H new ATOM 352 N GLY A 25 -5.655 -6.517 4.093 1.00 0.00 N ATOM 353 CA GLY A 25 -5.365 -6.874 2.739 1.00 0.00 C ATOM 354 C GLY A 25 -4.491 -8.081 2.761 1.00 0.00 C ATOM 355 O GLY A 25 -3.274 -7.984 2.919 1.00 0.00 O ATOM 0 H GLY A 25 -6.468 -7.001 4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.286 -7.079 2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.867 -6.051 2.226 1.00 0.00 H new ATOM 359 N VAL A 26 -5.100 -9.276 2.666 1.00 0.00 N ATOM 360 CA VAL A 26 -4.411 -10.510 2.888 1.00 0.00 C ATOM 361 C VAL A 26 -4.441 -11.367 1.670 1.00 0.00 C ATOM 362 O VAL A 26 -3.833 -11.030 0.655 1.00 0.00 O ATOM 363 CB VAL A 26 -4.870 -11.231 4.121 1.00 0.00 C ATOM 364 CG1 VAL A 26 -3.801 -12.244 4.563 1.00 0.00 C ATOM 365 CG2 VAL A 26 -5.117 -10.246 5.276 1.00 0.00 C ATOM 0 H VAL A 26 -6.086 -9.388 2.431 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.368 -10.260 3.083 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.802 -11.743 3.881 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.141 -12.764 5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.633 -12.967 3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.870 -11.720 4.779 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.449 -10.795 6.157 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.193 -9.715 5.505 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.885 -9.529 4.985 1.00 0.00 H new ATOM 375 N ASN A 27 -5.125 -12.525 1.709 1.00 0.00 N ATOM 376 CA ASN A 27 -5.005 -13.576 0.747 1.00 0.00 C ATOM 377 C ASN A 27 -6.026 -13.445 -0.330 1.00 0.00 C ATOM 378 O ASN A 27 -5.680 -13.226 -1.490 1.00 0.00 O ATOM 379 CB ASN A 27 -4.927 -14.958 1.415 1.00 0.00 C ATOM 380 CG ASN A 27 -5.853 -15.134 2.611 1.00 0.00 C ATOM 381 OD1 ASN A 27 -7.075 -15.186 2.477 1.00 0.00 O ATOM 382 ND2 ASN A 27 -5.286 -15.211 3.845 1.00 0.00 N ATOM 0 H ASN A 27 -5.795 -12.738 2.448 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.048 -13.475 0.235 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.164 -15.720 0.673 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.901 -15.135 1.737 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.875 -15.313 4.671 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.272 -15.167 3.944 1.00 0.00 H new ATOM 389 N THR A 28 -7.328 -13.529 -0.005 1.00 0.00 N ATOM 390 CA THR A 28 -8.370 -13.148 -0.907 1.00 0.00 C ATOM 391 C THR A 28 -9.359 -12.318 -0.164 1.00 0.00 C ATOM 392 O THR A 28 -10.211 -12.794 0.584 1.00 0.00 O ATOM 393 CB THR A 28 -8.952 -14.270 -1.714 1.00 0.00 C ATOM 394 OG1 THR A 28 -9.900 -13.809 -2.666 1.00 0.00 O ATOM 395 CG2 THR A 28 -9.607 -15.377 -0.871 1.00 0.00 C ATOM 0 H THR A 28 -7.663 -13.866 0.897 1.00 0.00 H new ATOM 0 HA THR A 28 -7.937 -12.536 -1.698 1.00 0.00 H new ATOM 0 HB THR A 28 -8.090 -14.701 -2.223 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.253 -14.571 -3.171 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.003 -16.150 -1.530 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.864 -15.814 -0.204 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.419 -14.952 -0.281 1.00 0.00 H new ATOM 403 N SER A 29 -9.228 -10.986 -0.301 1.00 0.00 N ATOM 404 CA SER A 29 -9.828 -10.037 0.585 1.00 0.00 C ATOM 405 C SER A 29 -10.475 -8.930 -0.172 1.00 0.00 C ATOM 406 O SER A 29 -11.677 -8.957 -0.437 1.00 0.00 O ATOM 407 CB SER A 29 -8.822 -9.514 1.624 1.00 0.00 C ATOM 408 OG SER A 29 -7.658 -8.927 1.060 1.00 0.00 O ATOM 0 H SER A 29 -8.688 -10.556 -1.052 1.00 0.00 H new ATOM 0 HA SER A 29 -10.612 -10.552 1.140 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.318 -8.777 2.255 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.523 -10.338 2.271 1.00 0.00 H new ATOM 0 HG SER A 29 -7.106 -9.625 0.650 1.00 0.00 H new ATOM 414 N VAL A 30 -9.701 -7.903 -0.567 1.00 0.00 N ATOM 415 CA VAL A 30 -10.099 -6.843 -1.441 1.00 0.00 C ATOM 416 C VAL A 30 -10.177 -7.337 -2.845 1.00 0.00 C ATOM 417 O VAL A 30 -11.201 -7.207 -3.515 1.00 0.00 O ATOM 418 CB VAL A 30 -9.239 -5.629 -1.252 1.00 0.00 C ATOM 419 CG1 VAL A 30 -7.731 -5.887 -1.403 1.00 0.00 C ATOM 420 CG2 VAL A 30 -9.695 -4.487 -2.177 1.00 0.00 C ATOM 0 H VAL A 30 -8.735 -7.808 -0.255 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.105 -6.512 -1.183 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.379 -5.333 -0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.185 -4.956 -1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.411 -6.620 -0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.525 -6.268 -2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.057 -3.617 -2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.624 -4.810 -3.216 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.728 -4.224 -1.949 1.00 0.00 H new ATOM 430 N ARG A 31 -9.094 -7.989 -3.305 1.00 0.00 N ATOM 431 CA ARG A 31 -9.032 -8.901 -4.404 1.00 0.00 C ATOM 432 C ARG A 31 -8.145 -9.986 -3.894 1.00 0.00 C ATOM 433 O ARG A 31 -7.861 -10.040 -2.699 1.00 0.00 O ATOM 434 CB ARG A 31 -8.474 -8.257 -5.684 1.00 0.00 C ATOM 435 CG ARG A 31 -9.452 -7.295 -6.360 1.00 0.00 C ATOM 436 CD ARG A 31 -8.951 -6.697 -7.676 1.00 0.00 C ATOM 437 NE ARG A 31 -10.073 -5.879 -8.216 1.00 0.00 N ATOM 438 CZ ARG A 31 -9.932 -4.787 -9.024 1.00 0.00 C ATOM 439 NH1 ARG A 31 -8.721 -4.363 -9.490 1.00 0.00 N ATOM 440 NH2 ARG A 31 -11.027 -4.070 -9.408 1.00 0.00 N ATOM 0 H ARG A 31 -8.181 -7.865 -2.867 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.018 -9.256 -4.704 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.558 -7.719 -5.441 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.205 -9.043 -6.389 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.387 -7.822 -6.548 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.677 -6.482 -5.669 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.066 -6.083 -7.512 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.669 -7.482 -8.378 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.021 -6.156 -7.962 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.872 -4.868 -9.237 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.665 -3.541 -10.092 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.956 -4.349 -9.092 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.917 -3.255 -10.012 1.00 0.00 H new ATOM 454 N HIS A 32 -7.633 -10.887 -4.751 1.00 0.00 N ATOM 455 CA HIS A 32 -6.596 -11.802 -4.390 1.00 0.00 C ATOM 456 C HIS A 32 -5.248 -11.203 -4.602 1.00 0.00 C ATOM 457 O HIS A 32 -4.477 -11.611 -5.469 1.00 0.00 O ATOM 458 CB HIS A 32 -6.718 -13.171 -5.083 1.00 0.00 C ATOM 459 CG HIS A 32 -6.661 -13.191 -6.581 1.00 0.00 C ATOM 460 ND1 HIS A 32 -6.223 -14.339 -7.208 1.00 0.00 N ATOM 461 CD2 HIS A 32 -7.058 -12.270 -7.501 1.00 0.00 C ATOM 462 CE1 HIS A 32 -6.341 -14.092 -8.500 1.00 0.00 C ATOM 463 NE2 HIS A 32 -6.845 -12.851 -8.734 1.00 0.00 N ATOM 0 H HIS A 32 -7.947 -10.982 -5.717 1.00 0.00 H new ATOM 0 HA HIS A 32 -6.722 -11.995 -3.325 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.921 -13.812 -4.707 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.661 -13.622 -4.775 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -7.458 -11.286 -7.306 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -6.070 -14.791 -9.277 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.030 -12.431 -9.645 1.00 0.00 H new ATOM 471 N GLY A 33 -4.912 -10.169 -3.811 1.00 0.00 N ATOM 472 CA GLY A 33 -3.738 -9.372 -3.982 1.00 0.00 C ATOM 473 C GLY A 33 -4.089 -7.928 -4.100 1.00 0.00 C ATOM 474 O GLY A 33 -5.069 -7.551 -4.740 1.00 0.00 O ATOM 0 H GLY A 33 -5.483 -9.876 -3.018 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.067 -9.519 -3.136 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.201 -9.694 -4.874 1.00 0.00 H new ATOM 478 N GLY A 34 -3.266 -7.053 -3.495 1.00 0.00 N ATOM 479 CA GLY A 34 -3.551 -5.659 -3.350 1.00 0.00 C ATOM 480 C GLY A 34 -4.023 -5.327 -1.976 1.00 0.00 C ATOM 481 O GLY A 34 -4.524 -6.177 -1.241 1.00 0.00 O ATOM 0 H GLY A 34 -2.370 -7.326 -3.092 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.655 -5.080 -3.576 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.311 -5.367 -4.075 1.00 0.00 H new ATOM 485 N ILE A 35 -3.824 -4.058 -1.580 1.00 0.00 N ATOM 486 CA ILE A 35 -3.898 -3.604 -0.226 1.00 0.00 C ATOM 487 C ILE A 35 -4.712 -2.356 -0.182 1.00 0.00 C ATOM 488 O ILE A 35 -4.772 -1.614 -1.161 1.00 0.00 O ATOM 489 CB ILE A 35 -2.511 -3.380 0.301 1.00 0.00 C ATOM 490 CG1 ILE A 35 -1.616 -4.631 0.266 1.00 0.00 C ATOM 491 CG2 ILE A 35 -2.505 -2.798 1.724 1.00 0.00 C ATOM 492 CD1 ILE A 35 -2.057 -5.788 1.160 1.00 0.00 C ATOM 0 H ILE A 35 -3.600 -3.311 -2.237 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.378 -4.351 0.406 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.087 -2.650 -0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.565 -4.990 -0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.605 -4.340 0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.476 -2.656 2.055 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.022 -1.839 1.727 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.012 -3.486 2.401 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.355 -6.616 1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.078 -5.458 2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.053 -6.118 0.864 1.00 0.00 H new ATOM 504 N TYR A 36 -5.386 -2.049 0.941 1.00 0.00 N ATOM 505 CA TYR A 36 -6.374 -1.021 1.051 1.00 0.00 C ATOM 506 C TYR A 36 -6.012 -0.057 2.128 1.00 0.00 C ATOM 507 O TYR A 36 -5.798 -0.440 3.278 1.00 0.00 O ATOM 508 CB TYR A 36 -7.723 -1.677 1.390 1.00 0.00 C ATOM 509 CG TYR A 36 -8.913 -1.157 0.659 1.00 0.00 C ATOM 510 CD1 TYR A 36 -9.066 0.165 0.317 1.00 0.00 C ATOM 511 CD2 TYR A 36 -9.921 -2.039 0.348 1.00 0.00 C ATOM 512 CE1 TYR A 36 -10.193 0.587 -0.348 1.00 0.00 C ATOM 513 CE2 TYR A 36 -11.046 -1.627 -0.327 1.00 0.00 C ATOM 514 CZ TYR A 36 -11.186 -0.305 -0.679 1.00 0.00 C ATOM 515 OH TYR A 36 -12.314 0.159 -1.387 1.00 0.00 O ATOM 0 H TYR A 36 -5.233 -2.545 1.819 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.436 -0.478 0.108 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.642 -2.746 1.195 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.901 -1.561 2.459 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.296 0.878 0.572 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.827 -3.075 0.639 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.299 1.629 -0.613 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.817 -2.339 -0.580 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.928 -0.587 -1.549 1.00 0.00 H new ATOM 525 N VAL A 37 -5.927 1.249 1.822 1.00 0.00 N ATOM 526 CA VAL A 37 -5.521 2.274 2.734 1.00 0.00 C ATOM 527 C VAL A 37 -6.569 2.596 3.742 1.00 0.00 C ATOM 528 O VAL A 37 -7.746 2.748 3.416 1.00 0.00 O ATOM 529 CB VAL A 37 -5.132 3.520 1.995 1.00 0.00 C ATOM 530 CG1 VAL A 37 -4.736 4.675 2.931 1.00 0.00 C ATOM 531 CG2 VAL A 37 -3.946 3.214 1.064 1.00 0.00 C ATOM 0 H VAL A 37 -6.152 1.608 0.894 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.658 1.882 3.272 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.008 3.838 1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.465 5.548 2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.577 4.923 3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.885 4.373 3.541 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.663 4.119 0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.100 2.863 1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.234 2.443 0.350 1.00 0.00 H new ATOM 541 N LYS A 38 -6.184 2.731 5.023 1.00 0.00 N ATOM 542 CA LYS A 38 -7.066 3.049 6.103 1.00 0.00 C ATOM 543 C LYS A 38 -7.153 4.515 6.351 1.00 0.00 C ATOM 544 O LYS A 38 -8.207 5.117 6.149 1.00 0.00 O ATOM 545 CB LYS A 38 -6.622 2.344 7.396 1.00 0.00 C ATOM 546 CG LYS A 38 -7.484 2.630 8.627 1.00 0.00 C ATOM 547 CD LYS A 38 -7.031 1.787 9.820 1.00 0.00 C ATOM 548 CE LYS A 38 -7.588 2.229 11.174 1.00 0.00 C ATOM 549 NZ LYS A 38 -9.067 2.209 11.204 1.00 0.00 N ATOM 0 H LYS A 38 -5.215 2.613 5.319 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.054 2.695 5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.615 1.268 7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.595 2.637 7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.423 3.688 8.881 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.529 2.416 8.402 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.322 0.751 9.645 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.942 1.808 9.868 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.202 1.574 11.955 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.235 3.236 11.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.399 2.516 12.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.438 2.853 10.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.405 1.244 11.016 1.00 0.00 H new ATOM 563 N ALA A 39 -6.069 5.151 6.831 1.00 0.00 N ATOM 564 CA ALA A 39 -6.082 6.526 7.222 1.00 0.00 C ATOM 565 C ALA A 39 -4.700 7.082 7.169 1.00 0.00 C ATOM 566 O ALA A 39 -3.716 6.346 7.233 1.00 0.00 O ATOM 567 CB ALA A 39 -6.650 6.693 8.641 1.00 0.00 C ATOM 0 H ALA A 39 -5.163 4.699 6.950 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.723 7.069 6.528 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.648 7.749 8.912 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.671 6.313 8.671 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.034 6.136 9.347 1.00 0.00 H new ATOM 573 N VAL A 40 -4.567 8.415 7.051 1.00 0.00 N ATOM 574 CA VAL A 40 -3.300 9.060 6.893 1.00 0.00 C ATOM 575 C VAL A 40 -2.649 9.398 8.189 1.00 0.00 C ATOM 576 O VAL A 40 -3.250 9.947 9.112 1.00 0.00 O ATOM 577 CB VAL A 40 -3.378 10.229 5.956 1.00 0.00 C ATOM 578 CG1 VAL A 40 -4.089 11.444 6.577 1.00 0.00 C ATOM 579 CG2 VAL A 40 -1.983 10.617 5.440 1.00 0.00 C ATOM 0 H VAL A 40 -5.357 9.059 7.066 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.641 8.329 6.424 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.986 9.908 5.110 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.116 12.259 5.854 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.107 11.169 6.851 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.548 11.766 7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.069 11.467 4.763 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.346 10.887 6.282 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.544 9.773 4.909 1.00 0.00 H new ATOM 589 N ILE A 41 -1.355 9.051 8.315 1.00 0.00 N ATOM 590 CA ILE A 41 -0.514 9.429 9.408 1.00 0.00 C ATOM 591 C ILE A 41 0.040 10.783 9.126 1.00 0.00 C ATOM 592 O ILE A 41 0.622 10.947 8.055 1.00 0.00 O ATOM 593 CB ILE A 41 0.598 8.444 9.620 1.00 0.00 C ATOM 594 CG1 ILE A 41 0.074 7.015 9.842 1.00 0.00 C ATOM 595 CG2 ILE A 41 1.499 8.861 10.795 1.00 0.00 C ATOM 596 CD1 ILE A 41 -0.815 6.832 11.071 1.00 0.00 C ATOM 0 H ILE A 41 -0.873 8.480 7.621 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.105 9.442 10.324 1.00 0.00 H new ATOM 0 HB ILE A 41 1.190 8.446 8.705 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.487 6.710 8.959 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.927 6.341 9.927 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.294 8.127 10.922 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.937 9.838 10.589 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.905 8.914 11.708 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.132 5.791 11.139 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.256 7.100 11.968 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.692 7.474 10.985 1.00 0.00 H new ATOM 608 N PRO A 42 -0.050 11.801 9.932 1.00 0.00 N ATOM 609 CA PRO A 42 0.438 13.109 9.607 1.00 0.00 C ATOM 610 C PRO A 42 1.903 13.275 9.823 1.00 0.00 C ATOM 611 O PRO A 42 2.353 14.358 10.191 1.00 0.00 O ATOM 612 CB PRO A 42 -0.380 14.010 10.529 1.00 0.00 C ATOM 613 CG PRO A 42 -0.578 13.167 11.798 1.00 0.00 C ATOM 614 CD PRO A 42 -0.772 11.766 11.194 1.00 0.00 C ATOM 0 HA PRO A 42 0.322 13.338 8.548 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.145 14.940 10.746 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.334 14.281 10.078 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.285 13.213 12.462 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.444 13.490 12.376 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.378 10.993 11.854 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.828 11.545 11.039 1.00 0.00 H new ATOM 622 N GLN A 43 2.702 12.221 9.580 1.00 0.00 N ATOM 623 CA GLN A 43 4.125 12.178 9.719 1.00 0.00 C ATOM 624 C GLN A 43 4.644 11.296 8.636 1.00 0.00 C ATOM 625 O GLN A 43 5.184 10.216 8.873 1.00 0.00 O ATOM 626 CB GLN A 43 4.564 11.634 11.088 1.00 0.00 C ATOM 627 CG GLN A 43 4.267 12.584 12.251 1.00 0.00 C ATOM 628 CD GLN A 43 4.620 11.970 13.598 1.00 0.00 C ATOM 629 OE1 GLN A 43 5.756 12.010 14.068 1.00 0.00 O ATOM 630 NE2 GLN A 43 3.599 11.377 14.273 1.00 0.00 N ATOM 0 H GLN A 43 2.322 11.330 9.261 1.00 0.00 H new ATOM 0 HA GLN A 43 4.524 13.190 9.645 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.062 10.684 11.269 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.634 11.429 11.062 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.829 13.508 12.116 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.210 12.850 12.240 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.664 11.354 13.866 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.768 10.955 15.186 1.00 0.00 H new ATOM 639 N GLY A 44 4.460 11.705 7.368 1.00 0.00 N ATOM 640 CA GLY A 44 4.868 10.898 6.260 1.00 0.00 C ATOM 641 C GLY A 44 4.718 11.600 4.955 1.00 0.00 C ATOM 642 O GLY A 44 4.179 12.702 4.871 1.00 0.00 O ATOM 0 H GLY A 44 4.029 12.593 7.110 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.909 10.604 6.393 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.278 9.982 6.246 1.00 0.00 H new ATOM 646 N ALA A 45 5.187 10.959 3.869 1.00 0.00 N ATOM 647 CA ALA A 45 5.250 11.495 2.545 1.00 0.00 C ATOM 648 C ALA A 45 3.910 11.717 1.931 1.00 0.00 C ATOM 649 O ALA A 45 3.678 12.730 1.274 1.00 0.00 O ATOM 650 CB ALA A 45 6.087 10.545 1.671 1.00 0.00 C ATOM 0 H ALA A 45 5.545 10.005 3.920 1.00 0.00 H new ATOM 0 HA ALA A 45 5.715 12.479 2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.145 10.940 0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.092 10.460 2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.618 9.561 1.651 1.00 0.00 H new ATOM 656 N ALA A 46 2.960 10.802 2.194 1.00 0.00 N ATOM 657 CA ALA A 46 1.600 10.850 1.754 1.00 0.00 C ATOM 658 C ALA A 46 0.880 12.114 2.078 1.00 0.00 C ATOM 659 O ALA A 46 0.278 12.736 1.204 1.00 0.00 O ATOM 660 CB ALA A 46 0.860 9.643 2.352 1.00 0.00 C ATOM 0 H ALA A 46 3.157 9.972 2.753 1.00 0.00 H new ATOM 0 HA ALA A 46 1.616 10.815 0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.181 9.658 2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.332 8.721 2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.904 9.692 3.440 1.00 0.00 H new ATOM 666 N GLU A 47 0.951 12.571 3.341 1.00 0.00 N ATOM 667 CA GLU A 47 0.375 13.804 3.781 1.00 0.00 C ATOM 668 C GLU A 47 1.223 14.982 3.447 1.00 0.00 C ATOM 669 O GLU A 47 0.721 16.054 3.114 1.00 0.00 O ATOM 670 CB GLU A 47 0.046 13.780 5.283 1.00 0.00 C ATOM 671 CG GLU A 47 -1.357 14.279 5.632 1.00 0.00 C ATOM 672 CD GLU A 47 -1.591 15.775 5.472 1.00 0.00 C ATOM 673 OE1 GLU A 47 -1.017 16.559 6.273 1.00 0.00 O ATOM 674 OE2 GLU A 47 -2.396 16.188 4.595 1.00 0.00 O ATOM 0 H GLU A 47 1.428 12.062 4.085 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.561 13.911 3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.157 12.760 5.650 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.777 14.391 5.812 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.076 13.750 5.006 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.572 14.006 6.665 1.00 0.00 H new ATOM 681 N SER A 48 2.561 14.853 3.496 1.00 0.00 N ATOM 682 CA SER A 48 3.480 15.904 3.186 1.00 0.00 C ATOM 683 C SER A 48 3.347 16.437 1.801 1.00 0.00 C ATOM 684 O SER A 48 3.202 17.641 1.598 1.00 0.00 O ATOM 685 CB SER A 48 4.960 15.520 3.349 1.00 0.00 C ATOM 686 OG SER A 48 5.240 15.151 4.692 1.00 0.00 O ATOM 0 H SER A 48 3.021 13.982 3.762 1.00 0.00 H new ATOM 0 HA SER A 48 3.201 16.661 3.919 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.201 14.693 2.682 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.592 16.359 3.058 1.00 0.00 H new ATOM 0 HG SER A 48 4.752 14.330 4.914 1.00 0.00 H new ATOM 692 N ASP A 49 3.358 15.555 0.786 1.00 0.00 N ATOM 693 CA ASP A 49 3.148 15.939 -0.575 1.00 0.00 C ATOM 694 C ASP A 49 1.704 16.183 -0.847 1.00 0.00 C ATOM 695 O ASP A 49 1.329 17.146 -1.514 1.00 0.00 O ATOM 696 CB ASP A 49 3.754 14.868 -1.497 1.00 0.00 C ATOM 697 CG ASP A 49 4.028 15.444 -2.879 1.00 0.00 C ATOM 698 OD1 ASP A 49 4.920 16.329 -2.974 1.00 0.00 O ATOM 699 OD2 ASP A 49 3.353 15.037 -3.861 1.00 0.00 O ATOM 0 H ASP A 49 3.516 14.555 0.913 1.00 0.00 H new ATOM 0 HA ASP A 49 3.653 16.884 -0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.680 14.490 -1.064 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.072 14.022 -1.578 1.00 0.00 H new ATOM 704 N GLY A 50 0.811 15.334 -0.307 1.00 0.00 N ATOM 705 CA GLY A 50 -0.607 15.483 -0.421 1.00 0.00 C ATOM 706 C GLY A 50 -1.121 14.894 -1.690 1.00 0.00 C ATOM 707 O GLY A 50 -1.595 15.608 -2.571 1.00 0.00 O ATOM 0 H GLY A 50 1.087 14.512 0.230 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.093 15.001 0.427 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.867 16.541 -0.379 1.00 0.00 H new ATOM 711 N ARG A 51 -1.028 13.559 -1.815 1.00 0.00 N ATOM 712 CA ARG A 51 -1.094 12.920 -3.094 1.00 0.00 C ATOM 713 C ARG A 51 -1.924 11.683 -3.107 1.00 0.00 C ATOM 714 O ARG A 51 -2.392 11.257 -4.162 1.00 0.00 O ATOM 715 CB ARG A 51 0.344 12.594 -3.530 1.00 0.00 C ATOM 716 CG ARG A 51 0.542 12.562 -5.047 1.00 0.00 C ATOM 717 CD ARG A 51 2.009 12.386 -5.442 1.00 0.00 C ATOM 718 NE ARG A 51 2.104 12.766 -6.881 1.00 0.00 N ATOM 719 CZ ARG A 51 2.824 13.823 -7.356 1.00 0.00 C ATOM 720 NH1 ARG A 51 3.478 14.702 -6.544 1.00 0.00 N ATOM 721 NH2 ARG A 51 2.909 14.006 -8.706 1.00 0.00 N ATOM 0 H ARG A 51 -0.907 12.920 -1.029 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.582 13.606 -3.786 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.019 13.334 -3.101 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.628 11.626 -3.116 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.045 11.747 -5.470 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.161 13.487 -5.480 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.655 13.016 -4.830 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.332 11.356 -5.290 1.00 0.00 H new ATOM 0 HE ARG A 51 1.595 12.196 -7.557 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.442 14.585 -5.531 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.003 15.477 -6.949 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.439 13.359 -9.339 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.442 14.790 -9.082 1.00 0.00 H new ATOM 735 N ILE A 52 -2.145 11.072 -1.930 1.00 0.00 N ATOM 736 CA ILE A 52 -2.929 9.894 -1.722 1.00 0.00 C ATOM 737 C ILE A 52 -3.856 10.252 -0.612 1.00 0.00 C ATOM 738 O ILE A 52 -3.546 11.137 0.184 1.00 0.00 O ATOM 739 CB ILE A 52 -2.105 8.696 -1.355 1.00 0.00 C ATOM 740 CG1 ILE A 52 -0.874 8.515 -2.258 1.00 0.00 C ATOM 741 CG2 ILE A 52 -2.955 7.415 -1.422 1.00 0.00 C ATOM 742 CD1 ILE A 52 0.410 9.114 -1.686 1.00 0.00 C ATOM 0 H ILE A 52 -1.746 11.428 -1.061 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.445 9.606 -2.638 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.755 8.872 -0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.719 7.451 -2.434 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.076 8.973 -3.226 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.340 6.556 -1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.790 7.496 -0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.337 7.284 -2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.232 8.945 -2.382 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.276 10.185 -1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.639 8.640 -0.732 1.00 0.00 H new ATOM 754 N HIS A 53 -5.039 9.624 -0.491 1.00 0.00 N ATOM 755 CA HIS A 53 -5.872 9.819 0.656 1.00 0.00 C ATOM 756 C HIS A 53 -6.498 8.539 1.089 1.00 0.00 C ATOM 757 O HIS A 53 -6.256 7.468 0.531 1.00 0.00 O ATOM 758 CB HIS A 53 -6.878 10.965 0.458 1.00 0.00 C ATOM 759 CG HIS A 53 -7.632 10.917 -0.838 1.00 0.00 C ATOM 760 ND1 HIS A 53 -7.993 12.086 -1.476 1.00 0.00 N ATOM 761 CD2 HIS A 53 -8.104 9.839 -1.519 1.00 0.00 C ATOM 762 CE1 HIS A 53 -8.657 11.705 -2.552 1.00 0.00 C ATOM 763 NE2 HIS A 53 -8.753 10.350 -2.625 1.00 0.00 N ATOM 0 H HIS A 53 -5.419 8.982 -1.186 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.237 10.142 1.481 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -7.593 10.949 1.280 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.345 11.914 0.518 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.994 8.799 -1.250 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.072 12.384 -3.282 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.217 9.813 -3.358 1.00 0.00 H new ATOM 771 N LYS A 54 -7.293 8.562 2.174 1.00 0.00 N ATOM 772 CA LYS A 54 -7.920 7.396 2.714 1.00 0.00 C ATOM 773 C LYS A 54 -8.810 6.641 1.788 1.00 0.00 C ATOM 774 O LYS A 54 -9.588 7.206 1.020 1.00 0.00 O ATOM 775 CB LYS A 54 -8.609 7.707 4.054 1.00 0.00 C ATOM 776 CG LYS A 54 -9.933 8.473 4.000 1.00 0.00 C ATOM 777 CD LYS A 54 -11.141 7.550 4.168 1.00 0.00 C ATOM 778 CE LYS A 54 -12.455 8.308 4.368 1.00 0.00 C ATOM 779 NZ LYS A 54 -13.567 7.359 4.603 1.00 0.00 N ATOM 0 H LYS A 54 -7.506 9.416 2.690 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.097 6.703 2.888 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.786 6.763 4.570 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.913 8.279 4.667 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.945 9.231 4.784 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.009 8.998 3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.227 6.912 3.289 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.973 6.895 5.023 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.364 8.989 5.214 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.668 8.918 3.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.452 7.888 4.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.662 6.726 3.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.368 6.795 5.454 1.00 0.00 H new ATOM 793 N GLY A 55 -8.727 5.300 1.818 1.00 0.00 N ATOM 794 CA GLY A 55 -9.506 4.437 0.985 1.00 0.00 C ATOM 795 C GLY A 55 -9.108 4.341 -0.448 1.00 0.00 C ATOM 796 O GLY A 55 -9.893 3.875 -1.271 1.00 0.00 O ATOM 0 H GLY A 55 -8.096 4.798 2.443 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.476 3.435 1.413 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.543 4.771 1.027 1.00 0.00 H new ATOM 800 N ASP A 56 -7.868 4.713 -0.810 1.00 0.00 N ATOM 801 CA ASP A 56 -7.303 4.345 -2.072 1.00 0.00 C ATOM 802 C ASP A 56 -6.734 2.972 -1.978 1.00 0.00 C ATOM 803 O ASP A 56 -6.544 2.424 -0.893 1.00 0.00 O ATOM 804 CB ASP A 56 -6.256 5.364 -2.553 1.00 0.00 C ATOM 805 CG ASP A 56 -6.875 6.733 -2.800 1.00 0.00 C ATOM 806 OD1 ASP A 56 -8.052 6.803 -3.245 1.00 0.00 O ATOM 807 OD2 ASP A 56 -6.167 7.747 -2.557 1.00 0.00 O ATOM 0 H ASP A 56 -7.251 5.274 -0.223 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.094 4.348 -2.821 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.464 5.451 -1.809 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.792 5.003 -3.471 1.00 0.00 H new ATOM 812 N ARG A 57 -6.492 2.304 -3.119 1.00 0.00 N ATOM 813 CA ARG A 57 -6.122 0.922 -3.143 1.00 0.00 C ATOM 814 C ARG A 57 -4.879 0.732 -3.943 1.00 0.00 C ATOM 815 O ARG A 57 -4.827 1.117 -5.110 1.00 0.00 O ATOM 816 CB ARG A 57 -7.250 0.088 -3.773 1.00 0.00 C ATOM 817 CG ARG A 57 -7.211 -1.405 -3.438 1.00 0.00 C ATOM 818 CD ARG A 57 -7.802 -2.321 -4.510 1.00 0.00 C ATOM 819 NE ARG A 57 -9.176 -1.838 -4.822 1.00 0.00 N ATOM 820 CZ ARG A 57 -9.508 -1.271 -6.020 1.00 0.00 C ATOM 821 NH1 ARG A 57 -8.866 -1.607 -7.177 1.00 0.00 N ATOM 822 NH2 ARG A 57 -10.461 -0.296 -6.053 1.00 0.00 N ATOM 0 H ARG A 57 -6.554 2.731 -4.043 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.948 0.596 -2.118 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.208 0.494 -3.447 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.207 0.204 -4.856 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.175 -1.696 -3.263 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.750 -1.567 -2.505 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.181 -2.309 -5.406 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.832 -3.352 -4.157 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.900 -1.935 -4.111 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.116 -2.298 -7.162 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.136 -1.167 -8.057 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.916 0.002 -5.190 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.718 0.136 -6.941 1.00 0.00 H new ATOM 836 N VAL A 58 -3.817 0.133 -3.375 1.00 0.00 N ATOM 837 CA VAL A 58 -2.571 -0.038 -4.055 1.00 0.00 C ATOM 838 C VAL A 58 -2.487 -1.365 -4.727 1.00 0.00 C ATOM 839 O VAL A 58 -3.048 -2.360 -4.271 1.00 0.00 O ATOM 840 CB VAL A 58 -1.366 0.198 -3.192 1.00 0.00 C ATOM 841 CG1 VAL A 58 -1.409 1.612 -2.587 1.00 0.00 C ATOM 842 CG2 VAL A 58 -1.262 -0.833 -2.055 1.00 0.00 C ATOM 0 H VAL A 58 -3.824 -0.240 -2.425 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.555 0.742 -4.817 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.490 0.093 -3.832 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.528 1.768 -1.964 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.422 2.350 -3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.307 1.721 -1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.376 -0.625 -1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.149 -0.771 -1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.187 -1.835 -2.478 1.00 0.00 H new ATOM 852 N LEU A 59 -1.780 -1.412 -5.871 1.00 0.00 N ATOM 853 CA LEU A 59 -1.633 -2.589 -6.671 1.00 0.00 C ATOM 854 C LEU A 59 -0.189 -2.929 -6.809 1.00 0.00 C ATOM 855 O LEU A 59 0.342 -3.702 -6.015 1.00 0.00 O ATOM 856 CB LEU A 59 -2.310 -2.458 -8.045 1.00 0.00 C ATOM 857 CG LEU A 59 -3.847 -2.431 -8.001 1.00 0.00 C ATOM 858 CD1 LEU A 59 -4.415 -1.006 -7.892 1.00 0.00 C ATOM 859 CD2 LEU A 59 -4.434 -3.113 -9.249 1.00 0.00 C ATOM 0 H LEU A 59 -1.293 -0.601 -6.253 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.144 -3.404 -6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.957 -1.545 -8.524 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.992 -3.290 -8.673 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.138 -2.975 -7.102 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.504 -1.049 -7.865 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.048 -0.537 -6.979 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.097 -0.420 -8.754 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.523 -3.085 -9.201 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.096 -2.589 -10.143 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.099 -4.150 -9.288 1.00 0.00 H new ATOM 871 N ALA A 60 0.532 -2.401 -7.815 1.00 0.00 N ATOM 872 CA ALA A 60 1.851 -2.851 -8.138 1.00 0.00 C ATOM 873 C ALA A 60 2.945 -2.058 -7.511 1.00 0.00 C ATOM 874 O ALA A 60 2.829 -0.854 -7.287 1.00 0.00 O ATOM 875 CB ALA A 60 2.048 -2.890 -9.663 1.00 0.00 C ATOM 0 H ALA A 60 0.193 -1.649 -8.415 1.00 0.00 H new ATOM 0 HA ALA A 60 1.924 -3.854 -7.717 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.057 -3.234 -9.891 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.323 -3.572 -10.106 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.904 -1.891 -10.074 1.00 0.00 H new ATOM 881 N VAL A 61 4.069 -2.729 -7.203 1.00 0.00 N ATOM 882 CA VAL A 61 5.246 -2.152 -6.632 1.00 0.00 C ATOM 883 C VAL A 61 6.340 -2.142 -7.643 1.00 0.00 C ATOM 884 O VAL A 61 7.127 -3.082 -7.743 1.00 0.00 O ATOM 885 CB VAL A 61 5.706 -2.876 -5.402 1.00 0.00 C ATOM 886 CG1 VAL A 61 6.807 -2.072 -4.689 1.00 0.00 C ATOM 887 CG2 VAL A 61 4.532 -3.085 -4.431 1.00 0.00 C ATOM 0 H VAL A 61 4.161 -3.732 -7.362 1.00 0.00 H new ATOM 0 HA VAL A 61 4.994 -1.134 -6.334 1.00 0.00 H new ATOM 0 HB VAL A 61 6.101 -3.845 -5.708 1.00 0.00 H new ATOM 0 HG11 VAL A 61 7.131 -2.610 -3.798 1.00 0.00 H new ATOM 0 HG12 VAL A 61 7.655 -1.940 -5.362 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.416 -1.096 -4.402 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.883 -3.612 -3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.123 -2.117 -4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.756 -3.674 -4.920 1.00 0.00 H new ATOM 897 N ASN A 62 6.435 -1.075 -8.455 1.00 0.00 N ATOM 898 CA ASN A 62 7.477 -0.829 -9.404 1.00 0.00 C ATOM 899 C ASN A 62 7.666 -1.901 -10.422 1.00 0.00 C ATOM 900 O ASN A 62 8.726 -2.516 -10.531 1.00 0.00 O ATOM 901 CB ASN A 62 8.775 -0.414 -8.690 1.00 0.00 C ATOM 902 CG ASN A 62 9.853 0.170 -9.589 1.00 0.00 C ATOM 903 OD1 ASN A 62 11.027 -0.169 -9.458 1.00 0.00 O ATOM 904 ND2 ASN A 62 9.485 1.097 -10.516 1.00 0.00 N ATOM 0 H ASN A 62 5.735 -0.333 -8.448 1.00 0.00 H new ATOM 0 HA ASN A 62 7.148 0.016 -10.008 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.529 0.319 -7.922 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.184 -1.286 -8.179 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.189 1.524 -11.118 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.505 1.364 -10.609 1.00 0.00 H new ATOM 911 N GLY A 63 6.614 -2.174 -11.214 1.00 0.00 N ATOM 912 CA GLY A 63 6.580 -3.230 -12.177 1.00 0.00 C ATOM 913 C GLY A 63 5.930 -4.468 -11.664 1.00 0.00 C ATOM 914 O GLY A 63 5.258 -5.182 -12.406 1.00 0.00 O ATOM 0 H GLY A 63 5.749 -1.635 -11.181 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.047 -2.888 -13.064 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.598 -3.463 -12.487 1.00 0.00 H new ATOM 918 N VAL A 64 6.124 -4.803 -10.376 1.00 0.00 N ATOM 919 CA VAL A 64 5.736 -6.072 -9.843 1.00 0.00 C ATOM 920 C VAL A 64 4.399 -6.024 -9.188 1.00 0.00 C ATOM 921 O VAL A 64 4.211 -5.387 -8.152 1.00 0.00 O ATOM 922 CB VAL A 64 6.752 -6.595 -8.870 1.00 0.00 C ATOM 923 CG1 VAL A 64 6.470 -8.070 -8.539 1.00 0.00 C ATOM 924 CG2 VAL A 64 8.165 -6.457 -9.462 1.00 0.00 C ATOM 0 H VAL A 64 6.558 -4.182 -9.693 1.00 0.00 H new ATOM 0 HA VAL A 64 5.676 -6.751 -10.693 1.00 0.00 H new ATOM 0 HB VAL A 64 6.687 -6.010 -7.952 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.216 -8.433 -7.832 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.478 -8.161 -8.098 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.516 -8.663 -9.452 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.897 -6.839 -8.750 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.229 -7.027 -10.389 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.372 -5.407 -9.668 1.00 0.00 H new ATOM 934 N SER A 65 3.397 -6.727 -9.744 1.00 0.00 N ATOM 935 CA SER A 65 2.201 -7.070 -9.039 1.00 0.00 C ATOM 936 C SER A 65 2.453 -8.221 -8.128 1.00 0.00 C ATOM 937 O SER A 65 3.049 -9.220 -8.527 1.00 0.00 O ATOM 938 CB SER A 65 1.030 -7.473 -9.951 1.00 0.00 C ATOM 939 OG SER A 65 0.733 -6.450 -10.889 1.00 0.00 O ATOM 0 H SER A 65 3.418 -7.065 -10.706 1.00 0.00 H new ATOM 0 HA SER A 65 1.923 -6.165 -8.499 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.278 -8.394 -10.479 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.148 -7.681 -9.345 1.00 0.00 H new ATOM 0 HG SER A 65 -0.014 -6.733 -11.457 1.00 0.00 H new ATOM 945 N LEU A 66 2.017 -8.135 -6.858 1.00 0.00 N ATOM 946 CA LEU A 66 2.331 -9.083 -5.835 1.00 0.00 C ATOM 947 C LEU A 66 1.279 -10.139 -5.783 1.00 0.00 C ATOM 948 O LEU A 66 0.410 -10.167 -4.913 1.00 0.00 O ATOM 949 CB LEU A 66 2.506 -8.366 -4.486 1.00 0.00 C ATOM 950 CG LEU A 66 3.913 -7.826 -4.177 1.00 0.00 C ATOM 951 CD1 LEU A 66 4.945 -8.950 -3.986 1.00 0.00 C ATOM 952 CD2 LEU A 66 4.411 -6.793 -5.201 1.00 0.00 C ATOM 0 H LEU A 66 1.422 -7.374 -6.531 1.00 0.00 H new ATOM 0 HA LEU A 66 3.277 -9.574 -6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.804 -7.533 -4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.223 -9.057 -3.692 1.00 0.00 H new ATOM 0 HG LEU A 66 3.810 -7.302 -3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.921 -8.515 -3.770 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.640 -9.587 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.007 -9.546 -4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.409 -6.455 -4.921 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.447 -7.249 -6.190 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.731 -5.941 -5.219 1.00 0.00 H new ATOM 964 N GLU A 67 1.340 -11.063 -6.757 1.00 0.00 N ATOM 965 CA GLU A 67 0.309 -11.989 -7.107 1.00 0.00 C ATOM 966 C GLU A 67 -0.049 -13.011 -6.082 1.00 0.00 C ATOM 967 O GLU A 67 0.643 -14.002 -5.854 1.00 0.00 O ATOM 968 CB GLU A 67 0.613 -12.650 -8.462 1.00 0.00 C ATOM 969 CG GLU A 67 1.940 -13.399 -8.591 1.00 0.00 C ATOM 970 CD GLU A 67 2.024 -14.160 -9.907 1.00 0.00 C ATOM 971 OE1 GLU A 67 1.939 -13.519 -10.988 1.00 0.00 O ATOM 972 OE2 GLU A 67 2.208 -15.407 -9.889 1.00 0.00 O ATOM 0 H GLU A 67 2.169 -11.170 -7.341 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.587 -11.372 -7.175 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.193 -13.349 -8.685 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.586 -11.876 -9.229 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.767 -12.691 -8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.049 -14.095 -7.759 1.00 0.00 H new ATOM 979 N GLY A 68 -1.186 -12.803 -5.396 1.00 0.00 N ATOM 980 CA GLY A 68 -1.685 -13.680 -4.382 1.00 0.00 C ATOM 981 C GLY A 68 -0.891 -13.675 -3.121 1.00 0.00 C ATOM 982 O GLY A 68 -1.024 -14.567 -2.285 1.00 0.00 O ATOM 0 H GLY A 68 -1.783 -11.991 -5.554 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.713 -13.401 -4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.711 -14.696 -4.777 1.00 0.00 H new ATOM 986 N ALA A 69 -0.009 -12.673 -2.956 1.00 0.00 N ATOM 987 CA ALA A 69 0.841 -12.516 -1.816 1.00 0.00 C ATOM 988 C ALA A 69 0.111 -11.979 -0.633 1.00 0.00 C ATOM 989 O ALA A 69 -0.748 -11.106 -0.747 1.00 0.00 O ATOM 990 CB ALA A 69 2.017 -11.586 -2.156 1.00 0.00 C ATOM 0 H ALA A 69 0.118 -11.937 -3.651 1.00 0.00 H new ATOM 0 HA ALA A 69 1.211 -13.508 -1.556 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.657 -11.474 -1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.594 -12.014 -2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.635 -10.610 -2.453 1.00 0.00 H new ATOM 996 N THR A 70 0.462 -12.489 0.562 1.00 0.00 N ATOM 997 CA THR A 70 -0.149 -12.194 1.821 1.00 0.00 C ATOM 998 C THR A 70 0.242 -10.867 2.374 1.00 0.00 C ATOM 999 O THR A 70 1.127 -10.174 1.875 1.00 0.00 O ATOM 1000 CB THR A 70 0.201 -13.230 2.847 1.00 0.00 C ATOM 1001 OG1 THR A 70 1.587 -13.537 2.791 1.00 0.00 O ATOM 1002 CG2 THR A 70 -0.583 -14.518 2.541 1.00 0.00 C ATOM 0 H THR A 70 1.229 -13.156 0.653 1.00 0.00 H new ATOM 0 HA THR A 70 -1.220 -12.186 1.618 1.00 0.00 H new ATOM 0 HB THR A 70 -0.048 -12.842 3.835 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.728 -14.307 2.201 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.336 -15.279 3.281 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.652 -14.310 2.577 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.317 -14.879 1.547 1.00 0.00 H new ATOM 1010 N HIS A 71 -0.410 -10.469 3.481 1.00 0.00 N ATOM 1011 CA HIS A 71 -0.194 -9.234 4.169 1.00 0.00 C ATOM 1012 C HIS A 71 1.196 -9.073 4.684 1.00 0.00 C ATOM 1013 O HIS A 71 1.785 -7.995 4.626 1.00 0.00 O ATOM 1014 CB HIS A 71 -1.188 -9.102 5.335 1.00 0.00 C ATOM 1015 CG HIS A 71 -1.281 -7.706 5.875 1.00 0.00 C ATOM 1016 ND1 HIS A 71 -1.665 -6.641 5.086 1.00 0.00 N ATOM 1017 CD2 HIS A 71 -1.034 -7.186 7.108 1.00 0.00 C ATOM 1018 CE1 HIS A 71 -1.619 -5.532 5.872 1.00 0.00 C ATOM 1019 NE2 HIS A 71 -1.247 -5.823 7.105 1.00 0.00 N ATOM 0 H HIS A 71 -1.129 -11.043 3.921 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.353 -8.444 3.435 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.175 -9.422 5.001 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.889 -9.776 6.138 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -1.932 -6.678 4.102 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.716 -7.759 7.967 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.857 -4.536 5.530 1.00 0.00 H new ATOM 1027 N LYS A 72 1.813 -10.158 5.183 1.00 0.00 N ATOM 1028 CA LYS A 72 3.186 -10.186 5.581 1.00 0.00 C ATOM 1029 C LYS A 72 4.132 -9.841 4.482 1.00 0.00 C ATOM 1030 O LYS A 72 4.973 -8.955 4.627 1.00 0.00 O ATOM 1031 CB LYS A 72 3.532 -11.565 6.169 1.00 0.00 C ATOM 1032 CG LYS A 72 4.915 -11.672 6.813 1.00 0.00 C ATOM 1033 CD LYS A 72 5.056 -10.880 8.114 1.00 0.00 C ATOM 1034 CE LYS A 72 4.510 -11.605 9.346 1.00 0.00 C ATOM 1035 NZ LYS A 72 4.530 -10.693 10.512 1.00 0.00 N ATOM 0 H LYS A 72 1.337 -11.051 5.314 1.00 0.00 H new ATOM 0 HA LYS A 72 3.307 -9.413 6.340 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.781 -11.822 6.916 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.460 -12.309 5.375 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.132 -12.721 7.013 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.664 -11.321 6.103 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.109 -10.652 8.276 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.537 -9.928 8.006 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.492 -11.947 9.157 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.110 -12.491 9.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.158 -11.189 11.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.507 -10.387 10.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.939 -9.861 10.312 1.00 0.00 H new ATOM 1049 N GLN A 73 3.995 -10.487 3.310 1.00 0.00 N ATOM 1050 CA GLN A 73 4.845 -10.322 2.173 1.00 0.00 C ATOM 1051 C GLN A 73 4.660 -9.008 1.495 1.00 0.00 C ATOM 1052 O GLN A 73 5.620 -8.355 1.088 1.00 0.00 O ATOM 1053 CB GLN A 73 4.542 -11.480 1.207 1.00 0.00 C ATOM 1054 CG GLN A 73 5.304 -11.499 -0.119 1.00 0.00 C ATOM 1055 CD GLN A 73 6.820 -11.427 0.007 1.00 0.00 C ATOM 1056 OE1 GLN A 73 7.476 -10.700 -0.736 1.00 0.00 O ATOM 1057 NE2 GLN A 73 7.407 -12.208 0.953 1.00 0.00 N ATOM 0 H GLN A 73 3.248 -11.163 3.148 1.00 0.00 H new ATOM 0 HA GLN A 73 5.885 -10.337 2.499 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.745 -12.416 1.727 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.475 -11.464 0.984 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.042 -12.410 -0.658 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.965 -10.660 -0.727 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.833 -12.800 1.554 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.421 -12.202 1.062 1.00 0.00 H new ATOM 1066 N ALA A 74 3.411 -8.522 1.379 1.00 0.00 N ATOM 1067 CA ALA A 74 3.093 -7.238 0.835 1.00 0.00 C ATOM 1068 C ALA A 74 3.650 -6.099 1.617 1.00 0.00 C ATOM 1069 O ALA A 74 4.190 -5.145 1.059 1.00 0.00 O ATOM 1070 CB ALA A 74 1.565 -7.111 0.726 1.00 0.00 C ATOM 0 H ALA A 74 2.588 -9.046 1.677 1.00 0.00 H new ATOM 0 HA ALA A 74 3.561 -7.179 -0.147 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.310 -6.135 0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.180 -7.894 0.073 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.120 -7.213 1.716 1.00 0.00 H new ATOM 1076 N VAL A 75 3.583 -6.139 2.960 1.00 0.00 N ATOM 1077 CA VAL A 75 4.131 -5.120 3.799 1.00 0.00 C ATOM 1078 C VAL A 75 5.620 -5.160 3.818 1.00 0.00 C ATOM 1079 O VAL A 75 6.280 -4.124 3.757 1.00 0.00 O ATOM 1080 CB VAL A 75 3.557 -5.167 5.185 1.00 0.00 C ATOM 1081 CG1 VAL A 75 4.173 -4.087 6.089 1.00 0.00 C ATOM 1082 CG2 VAL A 75 2.043 -4.920 5.071 1.00 0.00 C ATOM 0 H VAL A 75 3.137 -6.898 3.475 1.00 0.00 H new ATOM 0 HA VAL A 75 3.841 -4.163 3.366 1.00 0.00 H new ATOM 0 HB VAL A 75 3.775 -6.138 5.630 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.733 -4.151 7.084 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.250 -4.241 6.157 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.973 -3.102 5.667 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.594 -4.948 6.064 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.867 -3.943 4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.594 -5.694 4.448 1.00 0.00 H new ATOM 1092 N GLU A 76 6.227 -6.359 3.825 1.00 0.00 N ATOM 1093 CA GLU A 76 7.639 -6.563 3.720 1.00 0.00 C ATOM 1094 C GLU A 76 8.234 -5.996 2.478 1.00 0.00 C ATOM 1095 O GLU A 76 9.327 -5.433 2.481 1.00 0.00 O ATOM 1096 CB GLU A 76 7.934 -8.068 3.827 1.00 0.00 C ATOM 1097 CG GLU A 76 9.422 -8.420 3.891 1.00 0.00 C ATOM 1098 CD GLU A 76 9.678 -9.899 4.139 1.00 0.00 C ATOM 1099 OE1 GLU A 76 8.749 -10.672 4.495 1.00 0.00 O ATOM 1100 OE2 GLU A 76 10.859 -10.316 3.998 1.00 0.00 O ATOM 0 H GLU A 76 5.706 -7.232 3.908 1.00 0.00 H new ATOM 0 HA GLU A 76 8.109 -6.022 4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.442 -8.459 4.718 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.490 -8.574 2.970 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.898 -8.127 2.955 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.893 -7.839 4.684 1.00 0.00 H new ATOM 1107 N THR A 77 7.483 -6.065 1.363 1.00 0.00 N ATOM 1108 CA THR A 77 7.802 -5.506 0.086 1.00 0.00 C ATOM 1109 C THR A 77 7.794 -4.016 0.083 1.00 0.00 C ATOM 1110 O THR A 77 8.696 -3.396 -0.479 1.00 0.00 O ATOM 1111 CB THR A 77 6.893 -6.027 -0.988 1.00 0.00 C ATOM 1112 OG1 THR A 77 7.031 -7.436 -1.092 1.00 0.00 O ATOM 1113 CG2 THR A 77 7.243 -5.475 -2.380 1.00 0.00 C ATOM 0 H THR A 77 6.585 -6.549 1.356 1.00 0.00 H new ATOM 0 HA THR A 77 8.822 -5.826 -0.128 1.00 0.00 H new ATOM 0 HB THR A 77 5.887 -5.717 -0.704 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.572 -7.866 -0.341 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.554 -5.885 -3.118 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.161 -4.388 -2.372 1.00 0.00 H new ATOM 0 HG23 THR A 77 8.263 -5.760 -2.639 1.00 0.00 H new ATOM 1121 N LEU A 78 6.829 -3.354 0.745 1.00 0.00 N ATOM 1122 CA LEU A 78 6.781 -1.927 0.825 1.00 0.00 C ATOM 1123 C LEU A 78 7.688 -1.342 1.852 1.00 0.00 C ATOM 1124 O LEU A 78 8.056 -0.170 1.786 1.00 0.00 O ATOM 1125 CB LEU A 78 5.364 -1.396 1.104 1.00 0.00 C ATOM 1126 CG LEU A 78 4.346 -1.590 -0.032 1.00 0.00 C ATOM 1127 CD1 LEU A 78 3.060 -0.809 0.287 1.00 0.00 C ATOM 1128 CD2 LEU A 78 4.872 -1.125 -1.400 1.00 0.00 C ATOM 0 H LEU A 78 6.066 -3.820 1.235 1.00 0.00 H new ATOM 0 HA LEU A 78 7.119 -1.612 -0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.981 -1.887 1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.432 -0.332 1.329 1.00 0.00 H new ATOM 0 HG LEU A 78 4.154 -2.661 -0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.340 -0.948 -0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.634 -1.176 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.293 0.251 0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.107 -1.289 -2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.117 -0.064 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.766 -1.693 -1.658 1.00 0.00 H new ATOM 1140 N ARG A 79 8.143 -2.132 2.841 1.00 0.00 N ATOM 1141 CA ARG A 79 9.222 -1.758 3.701 1.00 0.00 C ATOM 1142 C ARG A 79 10.539 -1.801 3.007 1.00 0.00 C ATOM 1143 O ARG A 79 11.463 -1.070 3.361 1.00 0.00 O ATOM 1144 CB ARG A 79 9.237 -2.633 4.966 1.00 0.00 C ATOM 1145 CG ARG A 79 8.128 -2.270 5.957 1.00 0.00 C ATOM 1146 CD ARG A 79 8.090 -3.176 7.190 1.00 0.00 C ATOM 1147 NE ARG A 79 6.964 -2.722 8.054 1.00 0.00 N ATOM 1148 CZ ARG A 79 6.219 -3.561 8.830 1.00 0.00 C ATOM 1149 NH1 ARG A 79 6.439 -4.907 8.889 1.00 0.00 N ATOM 1150 NH2 ARG A 79 5.176 -3.045 9.542 1.00 0.00 N ATOM 0 H ARG A 79 7.752 -3.051 3.047 1.00 0.00 H new ATOM 0 HA ARG A 79 9.054 -0.722 3.996 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.132 -3.679 4.679 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.204 -2.533 5.459 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.263 -1.237 6.279 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.166 -2.322 5.448 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.950 -4.216 6.896 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.034 -3.122 7.733 1.00 0.00 H new ATOM 0 HE ARG A 79 6.737 -1.728 8.066 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.188 -5.326 8.337 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.855 -5.494 9.485 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.965 -2.048 9.488 1.00 0.00 H new ATOM 0 HH22 ARG A 79 4.607 -3.656 10.128 1.00 0.00 H new ATOM 1164 N ASN A 80 10.675 -2.627 1.954 1.00 0.00 N ATOM 1165 CA ASN A 80 11.847 -2.713 1.140 1.00 0.00 C ATOM 1166 C ASN A 80 11.824 -1.755 -0.001 1.00 0.00 C ATOM 1167 O ASN A 80 11.704 -2.133 -1.167 1.00 0.00 O ATOM 1168 CB ASN A 80 12.009 -4.160 0.644 1.00 0.00 C ATOM 1169 CG ASN A 80 13.418 -4.414 0.127 1.00 0.00 C ATOM 1170 OD1 ASN A 80 14.403 -4.117 0.803 1.00 0.00 O ATOM 1171 ND2 ASN A 80 13.542 -4.971 -1.106 1.00 0.00 N ATOM 0 H ASN A 80 9.935 -3.263 1.657 1.00 0.00 H new ATOM 0 HA ASN A 80 12.706 -2.433 1.750 1.00 0.00 H new ATOM 0 HB2 ASN A 80 11.787 -4.852 1.457 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.287 -4.358 -0.149 1.00 0.00 H new ATOM 0 HD21 ASN A 80 14.468 -5.153 -1.493 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.709 -5.207 -1.645 1.00 0.00 H new ATOM 1178 N THR A 81 11.968 -0.450 0.293 1.00 0.00 N ATOM 1179 CA THR A 81 12.105 0.586 -0.682 1.00 0.00 C ATOM 1180 C THR A 81 13.522 1.040 -0.752 1.00 0.00 C ATOM 1181 O THR A 81 14.266 0.692 -1.667 1.00 0.00 O ATOM 1182 CB THR A 81 11.203 1.768 -0.475 1.00 0.00 C ATOM 1183 OG1 THR A 81 11.204 2.244 0.863 1.00 0.00 O ATOM 1184 CG2 THR A 81 9.761 1.343 -0.800 1.00 0.00 C ATOM 0 H THR A 81 11.990 -0.103 1.252 1.00 0.00 H new ATOM 0 HA THR A 81 11.794 0.138 -1.626 1.00 0.00 H new ATOM 0 HB THR A 81 11.570 2.564 -1.123 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.656 3.054 0.922 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.091 2.190 -0.655 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.705 1.009 -1.836 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.464 0.528 -0.140 1.00 0.00 H new ATOM 1192 N GLY A 82 13.938 1.868 0.224 1.00 0.00 N ATOM 1193 CA GLY A 82 15.207 2.524 0.288 1.00 0.00 C ATOM 1194 C GLY A 82 14.965 3.988 0.140 1.00 0.00 C ATOM 1195 O GLY A 82 14.270 4.589 0.958 1.00 0.00 O ATOM 0 H GLY A 82 13.345 2.094 1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.701 2.311 1.236 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.865 2.163 -0.502 1.00 0.00 H new ATOM 1199 N GLN A 83 15.514 4.595 -0.926 1.00 0.00 N ATOM 1200 CA GLN A 83 15.284 5.966 -1.261 1.00 0.00 C ATOM 1201 C GLN A 83 14.025 6.206 -2.021 1.00 0.00 C ATOM 1202 O GLN A 83 13.262 7.112 -1.692 1.00 0.00 O ATOM 1203 CB GLN A 83 16.487 6.563 -2.011 1.00 0.00 C ATOM 1204 CG GLN A 83 16.343 8.060 -2.297 1.00 0.00 C ATOM 1205 CD GLN A 83 17.658 8.720 -2.684 1.00 0.00 C ATOM 1206 OE1 GLN A 83 18.156 9.597 -1.980 1.00 0.00 O ATOM 1207 NE2 GLN A 83 18.250 8.314 -3.840 1.00 0.00 N ATOM 0 H GLN A 83 16.138 4.117 -1.576 1.00 0.00 H new ATOM 0 HA GLN A 83 15.161 6.478 -0.307 1.00 0.00 H new ATOM 0 HB2 GLN A 83 17.390 6.398 -1.424 1.00 0.00 H new ATOM 0 HB3 GLN A 83 16.618 6.032 -2.954 1.00 0.00 H new ATOM 0 HG2 GLN A 83 15.621 8.203 -3.101 1.00 0.00 H new ATOM 0 HG3 GLN A 83 15.940 8.556 -1.414 1.00 0.00 H new ATOM 0 HE21 GLN A 83 17.817 7.585 -4.406 1.00 0.00 H new ATOM 0 HE22 GLN A 83 19.127 8.739 -4.140 1.00 0.00 H new ATOM 1216 N VAL A 84 13.768 5.448 -3.102 1.00 0.00 N ATOM 1217 CA VAL A 84 12.756 5.767 -4.061 1.00 0.00 C ATOM 1218 C VAL A 84 11.544 4.909 -3.944 1.00 0.00 C ATOM 1219 O VAL A 84 11.608 3.747 -3.544 1.00 0.00 O ATOM 1220 CB VAL A 84 13.348 5.789 -5.440 1.00 0.00 C ATOM 1221 CG1 VAL A 84 13.528 4.382 -6.032 1.00 0.00 C ATOM 1222 CG2 VAL A 84 12.538 6.711 -6.368 1.00 0.00 C ATOM 0 H VAL A 84 14.277 4.590 -3.315 1.00 0.00 H new ATOM 0 HA VAL A 84 12.387 6.770 -3.844 1.00 0.00 H new ATOM 0 HB VAL A 84 14.353 6.203 -5.353 1.00 0.00 H new ATOM 0 HG11 VAL A 84 13.960 4.460 -7.030 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.193 3.801 -5.393 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.559 3.886 -6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 84 12.986 6.711 -7.362 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.511 6.351 -6.433 1.00 0.00 H new ATOM 0 HG23 VAL A 84 12.543 7.725 -5.968 1.00 0.00 H new ATOM 1232 N VAL A 85 10.360 5.468 -4.249 1.00 0.00 N ATOM 1233 CA VAL A 85 9.082 4.852 -4.072 1.00 0.00 C ATOM 1234 C VAL A 85 8.279 4.975 -5.321 1.00 0.00 C ATOM 1235 O VAL A 85 7.830 6.062 -5.684 1.00 0.00 O ATOM 1236 CB VAL A 85 8.320 5.493 -2.949 1.00 0.00 C ATOM 1237 CG1 VAL A 85 6.961 4.808 -2.731 1.00 0.00 C ATOM 1238 CG2 VAL A 85 9.138 5.439 -1.647 1.00 0.00 C ATOM 0 H VAL A 85 10.291 6.406 -4.643 1.00 0.00 H new ATOM 0 HA VAL A 85 9.253 3.802 -3.833 1.00 0.00 H new ATOM 0 HB VAL A 85 8.142 6.533 -3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.435 5.296 -1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.365 4.884 -3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.118 3.757 -2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 85 8.572 5.908 -0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.343 4.400 -1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.079 5.971 -1.786 1.00 0.00 H new ATOM 1248 N HIS A 86 8.025 3.869 -6.043 1.00 0.00 N ATOM 1249 CA HIS A 86 7.204 3.885 -7.214 1.00 0.00 C ATOM 1250 C HIS A 86 6.079 2.916 -7.100 1.00 0.00 C ATOM 1251 O HIS A 86 6.293 1.704 -7.119 1.00 0.00 O ATOM 1252 CB HIS A 86 7.980 3.529 -8.493 1.00 0.00 C ATOM 1253 CG HIS A 86 9.144 4.431 -8.779 1.00 0.00 C ATOM 1254 ND1 HIS A 86 10.412 4.061 -8.381 1.00 0.00 N ATOM 1255 CD2 HIS A 86 9.178 5.638 -9.405 1.00 0.00 C ATOM 1256 CE1 HIS A 86 11.195 5.061 -8.739 1.00 0.00 C ATOM 1257 NE2 HIS A 86 10.497 6.042 -9.372 1.00 0.00 N ATOM 0 H HIS A 86 8.396 2.948 -5.810 1.00 0.00 H new ATOM 0 HA HIS A 86 6.834 4.908 -7.287 1.00 0.00 H new ATOM 0 HB2 HIS A 86 8.341 2.504 -8.412 1.00 0.00 H new ATOM 0 HB3 HIS A 86 7.295 3.559 -9.340 1.00 0.00 H new ATOM 0 HD2 HIS A 86 8.344 6.170 -9.839 1.00 0.00 H new ATOM 0 HE1 HIS A 86 12.258 5.096 -8.553 1.00 0.00 H new ATOM 0 HE2 HIS A 86 10.876 6.910 -9.750 1.00 0.00 H new ATOM 1265 N LEU A 87 4.832 3.406 -6.990 1.00 0.00 N ATOM 1266 CA LEU A 87 3.681 2.584 -6.778 1.00 0.00 C ATOM 1267 C LEU A 87 2.602 2.911 -7.752 1.00 0.00 C ATOM 1268 O LEU A 87 2.488 4.042 -8.219 1.00 0.00 O ATOM 1269 CB LEU A 87 3.089 2.752 -5.368 1.00 0.00 C ATOM 1270 CG LEU A 87 4.067 2.480 -4.212 1.00 0.00 C ATOM 1271 CD1 LEU A 87 3.409 2.821 -2.864 1.00 0.00 C ATOM 1272 CD2 LEU A 87 4.562 1.025 -4.195 1.00 0.00 C ATOM 0 H LEU A 87 4.618 4.401 -7.050 1.00 0.00 H new ATOM 0 HA LEU A 87 4.026 1.558 -6.908 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.708 3.769 -5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.236 2.081 -5.267 1.00 0.00 H new ATOM 0 HG LEU A 87 4.934 3.121 -4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.113 2.624 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.129 3.874 -2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.519 2.207 -2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.249 0.884 -3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.712 0.353 -4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.077 0.805 -5.130 1.00 0.00 H new ATOM 1284 N LEU A 88 1.740 1.921 -8.049 1.00 0.00 N ATOM 1285 CA LEU A 88 0.624 2.036 -8.934 1.00 0.00 C ATOM 1286 C LEU A 88 -0.593 1.718 -8.135 1.00 0.00 C ATOM 1287 O LEU A 88 -0.659 0.693 -7.459 1.00 0.00 O ATOM 1288 CB LEU A 88 0.717 1.031 -10.096 1.00 0.00 C ATOM 1289 CG LEU A 88 1.362 1.547 -11.394 1.00 0.00 C ATOM 1290 CD1 LEU A 88 0.433 2.528 -12.127 1.00 0.00 C ATOM 1291 CD2 LEU A 88 2.770 2.137 -11.211 1.00 0.00 C ATOM 0 H LEU A 88 1.829 0.988 -7.648 1.00 0.00 H new ATOM 0 HA LEU A 88 0.598 3.040 -9.359 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.283 0.164 -9.754 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.289 0.683 -10.329 1.00 0.00 H new ATOM 0 HG LEU A 88 1.501 0.664 -12.018 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.917 2.875 -13.040 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.500 2.025 -12.380 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.222 3.381 -11.482 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.150 2.476 -12.174 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.724 2.980 -10.521 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.435 1.373 -10.807 1.00 0.00 H new ATOM 1303 N LEU A 89 -1.597 2.614 -8.156 1.00 0.00 N ATOM 1304 CA LEU A 89 -2.730 2.537 -7.287 1.00 0.00 C ATOM 1305 C LEU A 89 -3.970 3.039 -7.945 1.00 0.00 C ATOM 1306 O LEU A 89 -3.934 3.816 -8.898 1.00 0.00 O ATOM 1307 CB LEU A 89 -2.495 3.257 -5.949 1.00 0.00 C ATOM 1308 CG LEU A 89 -2.001 4.713 -5.939 1.00 0.00 C ATOM 1309 CD1 LEU A 89 -2.322 5.309 -4.559 1.00 0.00 C ATOM 1310 CD2 LEU A 89 -0.496 4.886 -6.202 1.00 0.00 C ATOM 0 H LEU A 89 -1.621 3.411 -8.792 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.870 1.479 -7.067 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.434 3.229 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.774 2.666 -5.384 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.511 5.221 -6.758 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.982 6.344 -4.522 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.398 5.274 -4.389 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.814 4.732 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.241 5.946 -6.176 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.070 4.357 -5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.249 4.478 -7.182 1.00 0.00 H new ATOM 1322 N GLU A 90 -5.142 2.599 -7.455 1.00 0.00 N ATOM 1323 CA GLU A 90 -6.428 3.017 -7.921 1.00 0.00 C ATOM 1324 C GLU A 90 -7.030 3.946 -6.924 1.00 0.00 C ATOM 1325 O GLU A 90 -6.993 3.706 -5.719 1.00 0.00 O ATOM 1326 CB GLU A 90 -7.374 1.824 -8.137 1.00 0.00 C ATOM 1327 CG GLU A 90 -8.653 2.157 -8.905 1.00 0.00 C ATOM 1328 CD GLU A 90 -9.659 1.015 -8.875 1.00 0.00 C ATOM 1329 OE1 GLU A 90 -9.341 -0.119 -9.321 1.00 0.00 O ATOM 1330 OE2 GLU A 90 -10.794 1.214 -8.365 1.00 0.00 O ATOM 0 H GLU A 90 -5.196 1.919 -6.697 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.293 3.516 -8.881 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.836 1.043 -8.675 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.646 1.412 -7.165 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.108 3.051 -8.478 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.402 2.390 -9.940 1.00 0.00 H new ATOM 1337 N LYS A 91 -7.631 5.052 -7.401 1.00 0.00 N ATOM 1338 CA LYS A 91 -8.377 5.972 -6.601 1.00 0.00 C ATOM 1339 C LYS A 91 -9.665 5.398 -6.122 1.00 0.00 C ATOM 1340 O LYS A 91 -10.440 4.823 -6.885 1.00 0.00 O ATOM 1341 CB LYS A 91 -8.693 7.227 -7.432 1.00 0.00 C ATOM 1342 CG LYS A 91 -7.506 8.169 -7.636 1.00 0.00 C ATOM 1343 CD LYS A 91 -7.736 9.165 -8.775 1.00 0.00 C ATOM 1344 CE LYS A 91 -6.754 10.339 -8.778 1.00 0.00 C ATOM 1345 NZ LYS A 91 -7.185 11.353 -7.789 1.00 0.00 N ATOM 0 H LYS A 91 -7.595 5.315 -8.386 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.764 6.210 -5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.066 6.916 -8.408 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.497 7.777 -6.944 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.318 8.716 -6.712 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.612 7.582 -7.847 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.661 8.638 -9.726 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.752 9.554 -8.705 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.751 9.987 -8.538 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.707 10.784 -9.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.516 12.149 -7.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.135 11.698 -8.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.208 10.926 -6.841 1.00 0.00 H new ATOM 1359 N GLY A 92 -9.955 5.539 -4.816 1.00 0.00 N ATOM 1360 CA GLY A 92 -11.156 5.088 -4.185 1.00 0.00 C ATOM 1361 C GLY A 92 -12.377 5.912 -4.405 1.00 0.00 C ATOM 1362 O GLY A 92 -12.490 6.693 -5.348 1.00 0.00 O ATOM 0 H GLY A 92 -9.315 5.993 -4.165 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -11.362 4.075 -4.531 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.975 5.028 -3.112 1.00 0.00 H new ATOM 1560 N GLN B 11 -2.297 -9.693 11.208 1.00 0.00 N ATOM 1561 CA GLN B 11 -2.631 -8.473 11.876 1.00 0.00 C ATOM 1562 C GLN B 11 -2.677 -7.314 10.942 1.00 0.00 C ATOM 1563 O GLN B 11 -2.879 -7.470 9.738 1.00 0.00 O ATOM 1564 CB GLN B 11 -1.748 -8.222 13.110 1.00 0.00 C ATOM 1565 CG GLN B 11 -0.246 -8.077 12.852 1.00 0.00 C ATOM 1566 CD GLN B 11 0.473 -7.541 14.081 1.00 0.00 C ATOM 1567 OE1 GLN B 11 1.275 -6.611 14.004 1.00 0.00 O ATOM 1568 NE2 GLN B 11 0.188 -8.133 15.271 1.00 0.00 N ATOM 0 HA GLN B 11 -3.646 -8.589 12.257 1.00 0.00 H new ATOM 0 HB2 GLN B 11 -2.099 -7.316 13.603 1.00 0.00 H new ATOM 0 HB3 GLN B 11 -1.897 -9.044 13.810 1.00 0.00 H new ATOM 0 HG2 GLN B 11 0.173 -9.044 12.575 1.00 0.00 H new ATOM 0 HG3 GLN B 11 -0.082 -7.405 12.009 1.00 0.00 H new ATOM 0 HE21 GLN B 11 -0.480 -8.902 15.311 1.00 0.00 H new ATOM 0 HE22 GLN B 11 0.642 -7.808 16.124 1.00 0.00 H new ATOM 1577 N VAL B 12 -2.540 -6.082 11.467 1.00 0.00 N ATOM 1578 CA VAL B 12 -2.682 -4.844 10.768 1.00 0.00 C ATOM 1579 C VAL B 12 -1.396 -4.110 10.936 1.00 0.00 C ATOM 1580 O VAL B 12 -0.754 -4.180 11.983 1.00 0.00 O ATOM 1581 CB VAL B 12 -3.858 -4.078 11.299 1.00 0.00 C ATOM 1582 CG1 VAL B 12 -3.905 -2.631 10.778 1.00 0.00 C ATOM 1583 CG2 VAL B 12 -5.139 -4.803 10.856 1.00 0.00 C ATOM 0 H VAL B 12 -2.313 -5.944 12.452 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.880 -4.996 9.707 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.769 -4.032 12.384 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.775 -2.123 11.193 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.999 -2.106 11.081 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.974 -2.638 9.690 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.010 -4.265 11.230 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.177 -4.842 9.767 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -5.140 -5.817 11.256 1.00 0.00 H new ATOM 1593 N SER B 13 -0.937 -3.417 9.879 1.00 0.00 N ATOM 1594 CA SER B 13 0.418 -3.000 9.696 1.00 0.00 C ATOM 1595 C SER B 13 0.528 -1.572 9.285 1.00 0.00 C ATOM 1596 O SER B 13 -0.425 -0.966 8.797 1.00 0.00 O ATOM 1597 CB SER B 13 1.059 -3.800 8.549 1.00 0.00 C ATOM 1598 OG SER B 13 1.117 -5.187 8.848 1.00 0.00 O ATOM 0 H SER B 13 -1.545 -3.133 9.111 1.00 0.00 H new ATOM 0 HA SER B 13 0.910 -3.158 10.656 1.00 0.00 H new ATOM 0 HB2 SER B 13 0.486 -3.648 7.634 1.00 0.00 H new ATOM 0 HB3 SER B 13 2.065 -3.425 8.361 1.00 0.00 H new ATOM 0 HG SER B 13 0.336 -5.638 8.463 1.00 0.00 H new ATOM 1604 N ALA B 14 1.725 -0.982 9.451 1.00 0.00 N ATOM 1605 CA ALA B 14 2.070 0.309 8.944 1.00 0.00 C ATOM 1606 C ALA B 14 3.414 0.313 8.303 1.00 0.00 C ATOM 1607 O ALA B 14 4.289 -0.496 8.609 1.00 0.00 O ATOM 1608 CB ALA B 14 2.017 1.336 10.088 1.00 0.00 C ATOM 0 H ALA B 14 2.487 -1.426 9.963 1.00 0.00 H new ATOM 0 HA ALA B 14 1.347 0.578 8.174 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.280 2.322 9.704 1.00 0.00 H new ATOM 0 HB2 ALA B 14 1.010 1.365 10.504 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.724 1.050 10.867 1.00 0.00 H new ATOM 1614 N VAL B 15 3.611 1.229 7.338 1.00 0.00 N ATOM 1615 CA VAL B 15 4.851 1.597 6.730 1.00 0.00 C ATOM 1616 C VAL B 15 4.710 3.029 6.229 1.00 0.00 C ATOM 1617 O VAL B 15 3.564 3.488 5.979 1.00 0.00 O ATOM 1618 CB VAL B 15 5.303 0.652 5.657 1.00 0.00 C ATOM 1619 CG1 VAL B 15 4.384 0.691 4.424 1.00 0.00 C ATOM 1620 CG2 VAL B 15 6.752 0.962 5.243 1.00 0.00 C ATOM 1621 OXT VAL B 15 5.734 3.756 6.134 1.00 0.00 O ATOM 0 H VAL B 15 2.830 1.758 6.950 1.00 0.00 H new ATOM 0 HA VAL B 15 5.644 1.534 7.475 1.00 0.00 H new ATOM 0 HB VAL B 15 5.253 -0.354 6.074 1.00 0.00 H new ATOM 0 HG11 VAL B 15 4.751 -0.010 3.674 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.371 0.412 4.716 1.00 0.00 H new ATOM 0 HG13 VAL B 15 4.377 1.698 4.007 1.00 0.00 H new ATOM 0 HG21 VAL B 15 7.064 0.267 4.464 1.00 0.00 H new ATOM 0 HG22 VAL B 15 6.812 1.982 4.865 1.00 0.00 H new ATOM 0 HG23 VAL B 15 7.408 0.856 6.107 1.00 0.00 H new