USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot 138:sc= 1.18 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.927 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.00228 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 180:sc= 0.458 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 150:sc= 0.425 USER MOD Single : A 1 MET CE :methyl 179:sc= 0 (180deg=-0.000479) USER MOD Single : A 1 MET N :NH3+ 171:sc= 2.44 (180deg=2.11) USER MOD Single : A 2 GLN : amide:sc= -0.0584 K(o=-0.058,f=0.57) USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= 0.179! (180deg=-0.366!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0127 K(o=-0.013,f=-0.69) USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= 1.15 (180deg=0.858) USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= 1.25 (180deg=1.12) USER MOD Single : A 31 GLN : amide:sc= -0.0427 K(o=-0.043,f=-0.69) USER MOD Single : A 33 LYS NZ :NH3+ -112:sc= 0.329 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.171 K(o=-0.17,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= 0.355 K(o=0.36,f=-1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0349 K(o=-0.035,f=-4.7!) USER MOD Single : A 59 TYR OH : rot 152:sc= 0.177 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.117 -8.125 -5.503 1.00 9.67 N ATOM 2 CA MET A 1 11.242 -8.463 -4.077 1.00 10.38 C ATOM 3 C MET A 1 9.840 -8.561 -3.465 1.00 9.62 C ATOM 4 O MET A 1 8.877 -8.188 -4.170 1.00 9.62 O ATOM 5 CB MET A 1 12.076 -7.396 -3.238 1.00 13.77 C ATOM 6 CG MET A 1 11.300 -6.040 -2.804 1.00 16.29 C ATOM 7 SD MET A 1 12.161 -4.875 -1.653 1.00 17.17 S ATOM 8 CE MET A 1 10.822 -3.603 -1.896 1.00 16.11 C ATOM 0 H1 MET A 1 12.057 -7.907 -5.892 1.00 9.67 H new ATOM 0 H2 MET A 1 10.709 -8.932 -6.017 1.00 9.67 H new ATOM 0 H3 MET A 1 10.497 -7.297 -5.610 1.00 9.67 H new ATOM 0 HA MET A 1 11.781 -9.409 -4.028 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.439 -7.884 -2.334 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.952 -7.114 -3.822 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.055 -5.491 -3.713 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.356 -6.329 -2.342 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.040 -2.725 -1.289 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.779 -3.316 -2.947 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.862 -4.023 -1.595 1.00 16.11 H new ATOM 20 N GLN A 2 9.696 -9.196 -2.287 1.00 9.27 N ATOM 21 CA GLN A 2 8.443 -9.509 -1.721 1.00 9.07 C ATOM 22 C GLN A 2 8.175 -8.530 -0.568 1.00 8.72 C ATOM 23 O GLN A 2 9.117 -8.185 0.138 1.00 8.22 O ATOM 24 CB GLN A 2 8.491 -10.923 -1.061 1.00 14.46 C ATOM 25 CG GLN A 2 7.168 -11.388 -0.532 1.00 17.01 C ATOM 26 CD GLN A 2 7.071 -12.972 -0.518 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.827 -13.611 0.509 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.073 -13.525 -1.740 1.00 19.49 N ATOM 0 H GLN A 2 10.487 -9.497 -1.718 1.00 9.27 H new ATOM 0 HA GLN A 2 7.687 -9.462 -2.505 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.852 -11.644 -1.794 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.214 -10.909 -0.245 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.024 -11.005 0.478 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.365 -10.979 -1.146 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.281 -12.953 -2.558 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.866 -14.518 -1.851 1.00 19.49 H new ATOM 37 N ILE A 3 6.920 -8.082 -0.392 1.00 5.87 N ATOM 38 CA ILE A 3 6.451 -7.357 0.731 1.00 5.07 C ATOM 39 C ILE A 3 5.049 -7.793 1.051 1.00 4.01 C ATOM 40 O ILE A 3 4.402 -8.482 0.281 1.00 4.61 O ATOM 41 CB ILE A 3 6.313 -5.796 0.604 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.369 -5.374 -0.555 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.761 -5.317 0.356 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.995 -3.872 -0.540 1.00 10.83 C ATOM 0 H ILE A 3 6.190 -8.241 -1.086 1.00 5.87 H new ATOM 0 HA ILE A 3 7.223 -7.571 1.470 1.00 5.07 H new ATOM 0 HB ILE A 3 5.864 -5.353 1.493 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.848 -5.610 -1.505 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.456 -5.967 -0.502 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.773 -4.232 0.253 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.390 -5.608 1.197 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.144 -5.773 -0.557 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.334 -3.653 -1.379 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.487 -3.633 0.394 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.900 -3.271 -0.625 1.00 10.83 H new ATOM 56 N PHE A 4 4.643 -7.442 2.283 1.00 4.55 N ATOM 57 CA PHE A 4 3.384 -7.906 2.784 1.00 4.68 C ATOM 58 C PHE A 4 2.577 -6.755 3.211 1.00 5.30 C ATOM 59 O PHE A 4 3.062 -5.822 3.806 1.00 5.58 O ATOM 60 CB PHE A 4 3.566 -8.731 4.067 1.00 4.83 C ATOM 61 CG PHE A 4 4.557 -9.853 3.873 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.266 -10.778 2.906 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.813 -9.906 4.510 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.192 -11.805 2.629 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.783 -10.866 4.193 1.00 10.61 C ATOM 66 CZ PHE A 4 6.414 -11.801 3.289 1.00 8.90 C ATOM 0 H PHE A 4 5.172 -6.849 2.923 1.00 4.55 H new ATOM 0 HA PHE A 4 2.924 -8.491 1.988 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.906 -8.080 4.873 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.605 -9.143 4.374 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.336 -10.722 2.360 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.037 -9.176 5.274 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.955 -12.581 1.916 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.765 -10.859 4.643 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.113 -12.594 3.066 1.00 8.90 H new ATOM 76 N VAL A 5 1.232 -6.710 2.915 1.00 4.44 N ATOM 77 CA VAL A 5 0.342 -5.612 3.339 1.00 3.87 C ATOM 78 C VAL A 5 -0.737 -6.256 4.145 1.00 4.93 C ATOM 79 O VAL A 5 -1.461 -7.132 3.653 1.00 6.84 O ATOM 80 CB VAL A 5 -0.313 -4.963 2.119 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.206 -3.719 2.477 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.832 -4.522 1.189 1.00 9.13 C ATOM 0 H VAL A 5 0.756 -7.436 2.380 1.00 4.44 H new ATOM 0 HA VAL A 5 0.896 -4.852 3.890 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.982 -5.686 1.652 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.640 -3.308 1.565 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.005 -4.027 3.152 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.594 -2.959 2.962 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.416 -4.050 0.299 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.472 -3.811 1.711 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.420 -5.392 0.898 1.00 9.13 H new ATOM 92 N LYS A 6 -1.005 -5.801 5.388 1.00 6.04 N ATOM 93 CA LYS A 6 -1.983 -6.233 6.294 1.00 6.12 C ATOM 94 C LYS A 6 -3.183 -5.337 6.369 1.00 6.57 C ATOM 95 O LYS A 6 -3.042 -4.104 6.493 1.00 5.76 O ATOM 96 CB LYS A 6 -1.423 -6.458 7.714 1.00 7.45 C ATOM 97 CG LYS A 6 -0.576 -7.732 7.715 1.00 11.12 C ATOM 98 CD LYS A 6 -0.277 -8.044 9.217 1.00 14.54 C ATOM 99 CE LYS A 6 0.443 -9.350 9.553 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.476 -10.539 9.294 1.00 20.55 N ATOM 0 H LYS A 6 -0.456 -5.038 5.783 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.311 -7.189 5.886 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.820 -5.604 8.021 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.239 -6.547 8.432 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.110 -8.557 7.243 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.348 -7.588 7.154 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.319 -7.223 9.616 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.226 -8.039 9.754 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.347 -9.441 8.950 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.756 -9.343 10.597 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.024 -11.421 9.526 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.326 -10.457 9.887 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.753 -10.551 8.292 1.00 20.55 H new ATOM 114 N THR A 7 -4.387 -5.912 6.324 1.00 7.41 N ATOM 115 CA THR A 7 -5.576 -5.132 6.429 1.00 7.48 C ATOM 116 C THR A 7 -6.100 -4.995 7.834 1.00 8.75 C ATOM 117 O THR A 7 -5.621 -5.612 8.755 1.00 8.58 O ATOM 118 CB THR A 7 -6.704 -5.693 5.500 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.193 -6.947 5.935 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.032 -5.880 4.139 1.00 9.17 C ATOM 0 H THR A 7 -4.542 -6.914 6.215 1.00 7.41 H new ATOM 0 HA THR A 7 -5.288 -4.133 6.103 1.00 7.48 H new ATOM 0 HB THR A 7 -7.556 -5.013 5.488 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.895 -7.254 5.324 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.757 -6.272 3.426 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.656 -4.920 3.784 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.203 -6.581 4.236 1.00 9.17 H new ATOM 128 N LEU A 8 -7.065 -4.125 8.080 1.00 9.84 N ATOM 129 CA LEU A 8 -7.690 -3.880 9.335 1.00 14.15 C ATOM 130 C LEU A 8 -8.348 -5.107 9.913 1.00 17.37 C ATOM 131 O LEU A 8 -8.389 -5.319 11.112 1.00 17.01 O ATOM 132 CB LEU A 8 -8.660 -2.702 9.176 1.00 16.63 C ATOM 133 CG LEU A 8 -9.007 -2.139 10.601 1.00 18.88 C ATOM 134 CD1 LEU A 8 -7.976 -1.294 11.356 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.417 -1.496 10.392 1.00 18.59 C ATOM 0 H LEU A 8 -7.449 -3.536 7.341 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.926 -3.615 10.066 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.210 -1.923 8.561 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.567 -3.026 8.666 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.997 -2.947 11.333 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.388 -0.993 12.319 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.071 -1.881 11.515 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -7.735 -0.406 10.771 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.764 -1.066 11.332 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.351 -0.713 9.637 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.120 -2.260 10.061 1.00 18.59 H new ATOM 147 N THR A 9 -8.834 -6.016 9.087 1.00 18.33 N ATOM 148 CA THR A 9 -9.358 -7.300 9.469 1.00 19.24 C ATOM 149 C THR A 9 -8.379 -8.445 9.409 1.00 19.48 C ATOM 150 O THR A 9 -8.783 -9.600 9.439 1.00 23.14 O ATOM 151 CB THR A 9 -10.595 -7.652 8.637 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.271 -7.751 7.290 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.544 -6.489 8.854 1.00 19.70 C ATOM 0 H THR A 9 -8.872 -5.863 8.079 1.00 18.33 H new ATOM 0 HA THR A 9 -9.614 -7.180 10.522 1.00 19.24 H new ATOM 0 HB THR A 9 -11.025 -8.610 8.930 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.074 -7.978 6.776 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.462 -6.659 8.291 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.779 -6.404 9.915 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.074 -5.567 8.512 1.00 19.70 H new ATOM 161 N GLY A 10 -7.124 -8.146 9.203 1.00 19.43 N ATOM 162 CA GLY A 10 -6.031 -9.096 9.381 1.00 18.74 C ATOM 163 C GLY A 10 -5.807 -10.005 8.246 1.00 17.62 C ATOM 164 O GLY A 10 -5.053 -10.934 8.368 1.00 19.74 O ATOM 0 H GLY A 10 -6.815 -7.222 8.901 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.113 -8.540 9.568 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.229 -9.693 10.271 1.00 18.74 H new ATOM 168 N LYS A 11 -6.411 -9.745 7.102 1.00 13.56 N ATOM 169 CA LYS A 11 -6.076 -10.416 5.814 1.00 11.91 C ATOM 170 C LYS A 11 -4.719 -9.888 5.370 1.00 10.18 C ATOM 171 O LYS A 11 -4.425 -8.680 5.490 1.00 9.10 O ATOM 172 CB LYS A 11 -7.149 -10.175 4.701 1.00 13.43 C ATOM 173 CG LYS A 11 -7.057 -11.077 3.442 1.00 16.69 C ATOM 174 CD LYS A 11 -8.278 -10.987 2.541 1.00 17.92 C ATOM 175 CE LYS A 11 -8.421 -12.021 1.382 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.441 -11.879 0.310 1.00 21.93 N ATOM 0 H LYS A 11 -7.160 -9.058 7.017 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.054 -11.494 5.971 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.136 -10.308 5.144 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.081 -9.135 4.381 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.172 -10.799 2.870 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.922 -12.112 3.756 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -9.163 -11.070 3.172 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.293 -9.990 2.101 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.340 -13.025 1.798 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -9.420 -11.932 0.956 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.393 -12.763 -0.236 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.724 -11.100 -0.318 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.507 -11.673 0.718 1.00 21.93 H new ATOM 190 N THR A 12 -3.856 -10.702 4.814 1.00 9.63 N ATOM 191 CA THR A 12 -2.476 -10.324 4.419 1.00 9.85 C ATOM 192 C THR A 12 -2.238 -10.585 2.997 1.00 11.66 C ATOM 193 O THR A 12 -2.395 -11.641 2.485 1.00 12.33 O ATOM 194 CB THR A 12 -1.370 -11.076 5.192 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.632 -11.108 6.551 1.00 10.91 O ATOM 196 CG2 THR A 12 0.041 -10.539 4.851 1.00 9.63 C ATOM 0 H THR A 12 -4.077 -11.676 4.608 1.00 9.63 H new ATOM 0 HA THR A 12 -2.417 -9.261 4.655 1.00 9.85 H new ATOM 0 HB THR A 12 -1.378 -12.114 4.858 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.251 -11.924 6.938 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.789 -11.096 5.416 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.228 -10.660 3.784 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.101 -9.482 5.112 1.00 9.63 H new ATOM 204 N ILE A 13 -1.892 -9.506 2.261 1.00 10.42 N ATOM 205 CA ILE A 13 -1.816 -9.434 0.791 1.00 11.84 C ATOM 206 C ILE A 13 -0.336 -9.429 0.494 1.00 10.55 C ATOM 207 O ILE A 13 0.410 -8.547 0.841 1.00 11.92 O ATOM 208 CB ILE A 13 -2.512 -8.120 0.352 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.910 -8.112 1.037 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.644 -8.140 -1.201 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.654 -6.741 0.875 1.00 16.46 C ATOM 0 H ILE A 13 -1.647 -8.619 2.701 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.306 -10.252 0.263 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.955 -7.227 0.637 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.523 -8.906 0.612 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.792 -8.334 2.098 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -3.132 -7.225 -1.537 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.653 -8.209 -1.650 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.240 -9.001 -1.504 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.623 -6.792 1.372 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.057 -5.948 1.325 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.800 -6.529 -0.184 1.00 16.46 H new ATOM 223 N THR A 14 0.216 -10.441 -0.182 1.00 9.39 N ATOM 224 CA THR A 14 1.667 -10.625 -0.404 1.00 9.63 C ATOM 225 C THR A 14 1.973 -10.186 -1.813 1.00 11.20 C ATOM 226 O THR A 14 1.324 -10.669 -2.753 1.00 11.63 O ATOM 227 CB THR A 14 2.150 -12.123 -0.327 1.00 10.38 C ATOM 228 OG1 THR A 14 1.913 -12.583 0.981 1.00 16.30 O ATOM 229 CG2 THR A 14 3.656 -12.217 -0.565 1.00 11.66 C ATOM 0 H THR A 14 -0.345 -11.181 -0.605 1.00 9.39 H new ATOM 0 HA THR A 14 2.168 -10.056 0.379 1.00 9.63 H new ATOM 0 HB THR A 14 1.620 -12.706 -1.080 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.204 -13.516 1.057 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.969 -13.259 -0.508 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.894 -11.821 -1.552 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.181 -11.638 0.195 1.00 11.66 H new ATOM 237 N LEU A 15 2.919 -9.268 -1.998 1.00 8.29 N ATOM 238 CA LEU A 15 3.219 -8.543 -3.200 1.00 9.03 C ATOM 239 C LEU A 15 4.587 -8.805 -3.673 1.00 8.59 C ATOM 240 O LEU A 15 5.452 -9.192 -2.882 1.00 7.79 O ATOM 241 CB LEU A 15 3.076 -7.072 -3.100 1.00 11.08 C ATOM 242 CG LEU A 15 1.694 -6.592 -2.703 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.691 -5.060 -2.443 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.498 -6.871 -3.608 1.00 15.27 C ATOM 0 H LEU A 15 3.541 -9.000 -1.236 1.00 8.29 H new ATOM 0 HA LEU A 15 2.470 -8.915 -3.900 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.797 -6.700 -2.372 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.336 -6.630 -4.062 1.00 11.08 H new ATOM 0 HG LEU A 15 1.533 -7.214 -1.823 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.688 -4.741 -2.160 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.387 -4.826 -1.637 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.996 -4.537 -3.349 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.403 -6.453 -3.160 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.665 -6.413 -4.583 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.377 -7.947 -3.729 1.00 15.27 H new ATOM 256 N GLU A 16 4.809 -8.594 -5.055 1.00 11.04 N ATOM 257 CA GLU A 16 6.074 -8.629 -5.767 1.00 11.50 C ATOM 258 C GLU A 16 6.256 -7.237 -6.250 1.00 10.13 C ATOM 259 O GLU A 16 5.434 -6.811 -7.049 1.00 9.83 O ATOM 260 CB GLU A 16 5.989 -9.551 -6.983 1.00 17.22 C ATOM 261 CG GLU A 16 7.360 -9.601 -7.814 1.00 23.33 C ATOM 262 CD GLU A 16 8.656 -10.018 -7.075 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.551 -10.837 -6.129 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.761 -9.516 -7.381 1.00 28.90 O ATOM 0 H GLU A 16 4.032 -8.388 -5.683 1.00 11.04 H new ATOM 0 HA GLU A 16 6.883 -8.990 -5.132 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.730 -10.558 -6.654 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.184 -9.212 -7.636 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.218 -10.289 -8.648 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.525 -8.612 -8.241 1.00 23.33 H new ATOM 271 N VAL A 17 7.283 -6.506 -5.819 1.00 8.99 N ATOM 272 CA VAL A 17 7.527 -5.118 -6.139 1.00 8.85 C ATOM 273 C VAL A 17 9.066 -4.955 -6.317 1.00 8.04 C ATOM 274 O VAL A 17 9.854 -5.824 -6.018 1.00 8.99 O ATOM 275 CB VAL A 17 7.101 -4.115 -4.958 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.602 -3.947 -5.051 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.467 -4.636 -3.521 1.00 10.54 C ATOM 0 H VAL A 17 7.999 -6.895 -5.206 1.00 8.99 H new ATOM 0 HA VAL A 17 6.943 -4.874 -7.026 1.00 8.85 H new ATOM 0 HB VAL A 17 7.647 -3.181 -5.088 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.262 -3.271 -4.266 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.342 -3.532 -6.025 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.119 -4.917 -4.929 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.149 -3.906 -2.777 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.962 -5.584 -3.338 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.545 -4.780 -3.450 1.00 10.54 H new ATOM 287 N GLU A 18 9.511 -3.775 -6.736 1.00 7.29 N ATOM 288 CA GLU A 18 10.904 -3.393 -6.637 1.00 7.08 C ATOM 289 C GLU A 18 10.956 -2.261 -5.634 1.00 6.45 C ATOM 290 O GLU A 18 9.919 -1.700 -5.292 1.00 5.28 O ATOM 291 CB GLU A 18 11.452 -2.823 -7.947 1.00 10.28 C ATOM 292 CG GLU A 18 11.291 -3.774 -9.144 1.00 12.65 C ATOM 293 CD GLU A 18 11.993 -5.154 -9.026 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.984 -5.241 -8.267 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.471 -6.165 -9.603 1.00 14.33 O ATOM 0 H GLU A 18 8.912 -3.062 -7.152 1.00 7.29 H new ATOM 0 HA GLU A 18 11.489 -4.273 -6.368 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.942 -1.885 -8.167 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.509 -2.589 -7.818 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.226 -3.944 -9.305 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.671 -3.272 -10.034 1.00 12.65 H new ATOM 302 N PRO A 19 12.089 -1.850 -5.142 1.00 7.24 N ATOM 303 CA PRO A 19 12.253 -0.658 -4.303 1.00 7.07 C ATOM 304 C PRO A 19 11.837 0.654 -5.100 1.00 6.65 C ATOM 305 O PRO A 19 11.338 1.585 -4.517 1.00 6.37 O ATOM 306 CB PRO A 19 13.772 -0.634 -4.107 1.00 7.61 C ATOM 307 CG PRO A 19 14.174 -2.101 -3.995 1.00 8.16 C ATOM 308 CD PRO A 19 13.257 -2.681 -5.101 1.00 7.49 C ATOM 0 HA PRO A 19 11.656 -0.685 -3.391 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.271 -0.150 -4.946 1.00 7.61 H new ATOM 0 HB3 PRO A 19 14.046 -0.079 -3.210 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.233 -2.265 -4.195 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.967 -2.522 -3.011 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.766 -2.682 -6.065 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.990 -3.714 -4.880 1.00 7.49 H new ATOM 316 N SER A 20 12.007 0.659 -6.406 1.00 6.80 N ATOM 317 CA SER A 20 11.713 1.702 -7.360 1.00 6.28 C ATOM 318 C SER A 20 10.238 1.995 -7.532 1.00 8.45 C ATOM 319 O SER A 20 9.858 3.118 -8.000 1.00 7.26 O ATOM 320 CB SER A 20 12.314 1.385 -8.776 1.00 8.57 C ATOM 321 OG SER A 20 13.683 1.155 -8.693 1.00 11.13 O ATOM 0 H SER A 20 12.398 -0.159 -6.873 1.00 6.80 H new ATOM 0 HA SER A 20 12.183 2.587 -6.931 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.819 0.510 -9.198 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.121 2.218 -9.452 1.00 8.57 H new ATOM 0 HG SER A 20 14.036 0.958 -9.586 1.00 11.13 H new ATOM 327 N ASP A 21 9.302 1.016 -7.190 1.00 7.50 N ATOM 328 CA ASP A 21 7.844 1.152 -7.506 1.00 7.70 C ATOM 329 C ASP A 21 7.189 2.128 -6.568 1.00 7.08 C ATOM 330 O ASP A 21 7.508 2.298 -5.392 1.00 8.11 O ATOM 331 CB ASP A 21 7.119 -0.256 -7.341 1.00 11.00 C ATOM 332 CG ASP A 21 7.352 -1.046 -8.662 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.703 -0.643 -9.695 1.00 18.03 O ATOM 334 OD2 ASP A 21 8.176 -2.003 -8.729 1.00 14.36 O ATOM 0 H ASP A 21 9.543 0.151 -6.707 1.00 7.50 H new ATOM 0 HA ASP A 21 7.754 1.509 -8.532 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.525 -0.801 -6.489 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.053 -0.122 -7.155 1.00 11.00 H new ATOM 339 N THR A 22 6.138 2.790 -7.095 1.00 5.37 N ATOM 340 CA THR A 22 5.481 3.883 -6.354 1.00 6.01 C ATOM 341 C THR A 22 4.300 3.407 -5.560 1.00 8.01 C ATOM 342 O THR A 22 3.733 2.365 -5.892 1.00 8.11 O ATOM 343 CB THR A 22 5.008 5.079 -7.192 1.00 8.92 C ATOM 344 OG1 THR A 22 4.264 4.669 -8.332 1.00 10.22 O ATOM 345 CG2 THR A 22 6.255 5.693 -7.766 1.00 9.65 C ATOM 0 H THR A 22 5.734 2.592 -8.010 1.00 5.37 H new ATOM 0 HA THR A 22 6.288 4.230 -5.709 1.00 6.01 H new ATOM 0 HB THR A 22 4.402 5.730 -6.562 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.980 5.458 -8.838 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.988 6.555 -8.377 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.910 6.012 -6.955 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.772 4.958 -8.382 1.00 9.65 H new ATOM 353 N ILE A 23 3.914 4.146 -4.472 1.00 8.32 N ATOM 354 CA ILE A 23 2.770 3.828 -3.570 1.00 9.92 C ATOM 355 C ILE A 23 1.413 3.686 -4.289 1.00 10.01 C ATOM 356 O ILE A 23 0.597 2.849 -4.015 1.00 8.71 O ATOM 357 CB ILE A 23 2.677 4.857 -2.461 1.00 10.78 C ATOM 358 CG1 ILE A 23 4.104 5.100 -1.719 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.574 4.479 -1.514 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.914 3.875 -1.359 1.00 12.30 C ATOM 0 H ILE A 23 4.404 4.997 -4.197 1.00 8.32 H new ATOM 0 HA ILE A 23 2.984 2.844 -3.153 1.00 9.92 H new ATOM 0 HB ILE A 23 2.424 5.822 -2.900 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.716 5.732 -2.363 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.917 5.662 -0.804 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.509 5.220 -0.717 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.628 4.442 -2.054 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.784 3.500 -1.083 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.839 4.181 -0.871 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.338 3.244 -0.682 1.00 12.30 H new ATOM 0 HD13 ILE A 23 5.149 3.315 -2.264 1.00 12.30 H new ATOM 372 N GLU A 24 1.238 4.496 -5.296 1.00 9.54 N ATOM 373 CA GLU A 24 0.162 4.371 -6.255 1.00 11.81 C ATOM 374 C GLU A 24 0.218 3.050 -7.022 1.00 11.14 C ATOM 375 O GLU A 24 -0.802 2.327 -7.157 1.00 10.62 O ATOM 376 CB GLU A 24 0.159 5.605 -7.171 1.00 19.24 C ATOM 377 CG GLU A 24 -0.861 5.706 -8.291 1.00 27.76 C ATOM 378 CD GLU A 24 -0.735 6.989 -9.136 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.235 7.161 -9.905 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.570 7.881 -8.892 1.00 34.80 O ATOM 0 H GLU A 24 1.855 5.286 -5.482 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.789 4.340 -5.724 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.034 6.482 -6.536 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.148 5.678 -7.623 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.755 4.840 -8.945 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.862 5.662 -7.863 1.00 27.76 H new ATOM 387 N ASN A 25 1.399 2.595 -7.437 1.00 9.43 N ATOM 388 CA ASN A 25 1.605 1.262 -7.965 1.00 10.96 C ATOM 389 C ASN A 25 1.314 0.127 -6.989 1.00 9.68 C ATOM 390 O ASN A 25 0.931 -0.936 -7.441 1.00 9.33 O ATOM 391 CB ASN A 25 2.958 1.002 -8.618 1.00 16.78 C ATOM 392 CG ASN A 25 2.829 -0.111 -9.626 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.928 -0.176 -10.438 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.852 -0.995 -9.642 1.00 24.70 N ATOM 0 H ASN A 25 2.249 3.158 -7.412 1.00 9.43 H new ATOM 0 HA ASN A 25 0.849 1.255 -8.751 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.317 1.908 -9.106 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.694 0.735 -7.859 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.877 -1.734 -10.345 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.599 -0.923 -8.951 1.00 24.70 H new ATOM 401 N VAL A 26 1.595 0.329 -5.703 1.00 6.52 N ATOM 402 CA VAL A 26 1.201 -0.603 -4.660 1.00 5.53 C ATOM 403 C VAL A 26 -0.298 -0.765 -4.586 1.00 4.42 C ATOM 404 O VAL A 26 -0.761 -1.888 -4.521 1.00 3.40 O ATOM 405 CB VAL A 26 1.648 -0.172 -3.331 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.342 -1.314 -2.256 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.154 -0.031 -3.295 1.00 8.12 C ATOM 0 H VAL A 26 2.102 1.145 -5.360 1.00 6.52 H new ATOM 0 HA VAL A 26 1.676 -1.546 -4.930 1.00 5.53 H new ATOM 0 HB VAL A 26 1.136 0.766 -3.116 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.677 -0.986 -1.272 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.270 -1.510 -2.228 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.870 -2.226 -2.534 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.466 0.289 -2.301 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.615 -0.991 -3.528 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.468 0.710 -4.030 1.00 8.12 H new ATOM 417 N LYS A 27 -1.060 0.373 -4.565 1.00 2.64 N ATOM 418 CA LYS A 27 -2.556 0.241 -4.605 1.00 4.14 C ATOM 419 C LYS A 27 -3.066 -0.496 -5.851 1.00 5.58 C ATOM 420 O LYS A 27 -4.078 -1.229 -5.803 1.00 4.11 O ATOM 421 CB LYS A 27 -3.311 1.619 -4.535 1.00 3.97 C ATOM 422 CG LYS A 27 -2.954 2.412 -3.314 1.00 7.45 C ATOM 423 CD LYS A 27 -3.741 3.803 -3.206 1.00 9.02 C ATOM 424 CE LYS A 27 -2.913 4.942 -2.657 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.559 6.168 -2.975 1.00 15.47 N ATOM 0 H LYS A 27 -0.699 1.326 -4.524 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.777 -0.343 -3.711 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.076 2.203 -5.425 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.386 1.441 -4.546 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.165 1.814 -2.427 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.882 2.609 -3.318 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.107 4.078 -4.195 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.615 3.665 -2.570 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.802 4.842 -1.577 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.910 4.921 -3.084 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.930 6.963 -2.740 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.781 6.190 -3.991 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.439 6.249 -2.427 1.00 15.47 H new ATOM 439 N ALA A 28 -2.446 -0.273 -6.994 1.00 6.61 N ATOM 440 CA ALA A 28 -2.714 -1.020 -8.235 1.00 7.74 C ATOM 441 C ALA A 28 -2.435 -2.564 -8.191 1.00 9.17 C ATOM 442 O ALA A 28 -3.241 -3.328 -8.674 1.00 11.45 O ATOM 443 CB ALA A 28 -1.981 -0.274 -9.383 1.00 7.68 C ATOM 0 H ALA A 28 -1.727 0.442 -7.101 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.791 -1.025 -8.405 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.154 -0.796 -10.324 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.363 0.744 -9.457 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.912 -0.246 -9.174 1.00 7.68 H new ATOM 449 N LYS A 29 -1.353 -2.930 -7.546 1.00 8.96 N ATOM 450 CA LYS A 29 -1.008 -4.329 -7.288 1.00 7.90 C ATOM 451 C LYS A 29 -1.924 -5.013 -6.290 1.00 6.92 C ATOM 452 O LYS A 29 -2.339 -6.182 -6.564 1.00 6.87 O ATOM 453 CB LYS A 29 0.449 -4.428 -6.900 1.00 10.28 C ATOM 454 CG LYS A 29 1.361 -4.676 -8.080 1.00 14.94 C ATOM 455 CD LYS A 29 2.828 -4.463 -7.564 1.00 19.69 C ATOM 456 CE LYS A 29 3.816 -4.446 -8.714 1.00 22.63 C ATOM 457 NZ LYS A 29 4.105 -5.826 -9.178 1.00 24.98 N ATOM 0 H LYS A 29 -0.673 -2.266 -7.177 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.165 -4.881 -8.215 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.750 -3.506 -6.403 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.572 -5.234 -6.177 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.229 -5.687 -8.466 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.134 -3.990 -8.896 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.890 -3.524 -7.014 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.091 -5.259 -6.867 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.413 -3.857 -9.538 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.740 -3.962 -8.399 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.508 -5.793 -10.136 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.785 -6.274 -8.531 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.224 -6.379 -9.192 1.00 24.98 H new ATOM 471 N ILE A 30 -2.322 -4.296 -5.222 1.00 4.57 N ATOM 472 CA ILE A 30 -3.425 -4.703 -4.360 1.00 5.58 C ATOM 473 C ILE A 30 -4.743 -4.797 -5.126 1.00 7.26 C ATOM 474 O ILE A 30 -5.484 -5.724 -4.868 1.00 9.46 O ATOM 475 CB ILE A 30 -3.512 -3.719 -3.180 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.361 -4.034 -2.209 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.796 -3.916 -2.364 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.988 -2.817 -1.382 1.00 2.00 C ATOM 0 H ILE A 30 -1.882 -3.420 -4.941 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.234 -5.706 -3.978 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.478 -2.710 -3.591 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.653 -4.850 -1.548 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.491 -4.375 -2.771 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.817 -3.202 -1.541 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.663 -3.757 -3.005 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.821 -4.930 -1.965 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.172 -3.073 -0.706 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.672 -2.010 -2.044 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.852 -2.493 -0.802 1.00 2.00 H new ATOM 490 N GLN A 31 -5.114 -3.925 -6.078 1.00 7.06 N ATOM 491 CA GLN A 31 -6.317 -4.016 -6.958 1.00 8.67 C ATOM 492 C GLN A 31 -6.340 -5.267 -7.830 1.00 10.90 C ATOM 493 O GLN A 31 -7.343 -5.938 -7.943 1.00 9.63 O ATOM 494 CB GLN A 31 -6.346 -2.742 -7.868 1.00 9.12 C ATOM 495 CG GLN A 31 -7.682 -2.556 -8.636 1.00 10.76 C ATOM 496 CD GLN A 31 -7.775 -1.359 -9.602 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.717 -0.726 -9.852 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.962 -0.967 -9.968 1.00 14.76 N ATOM 0 H GLN A 31 -4.562 -3.090 -6.274 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.196 -4.078 -6.316 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.166 -1.861 -7.251 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.529 -2.801 -8.587 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.875 -3.466 -9.205 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.483 -2.462 -7.903 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.780 -1.529 -9.732 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.074 -0.098 -10.490 1.00 14.76 H new ATOM 507 N ASP A 32 -5.204 -5.618 -8.459 1.00 10.93 N ATOM 508 CA ASP A 32 -5.056 -6.868 -9.196 1.00 14.01 C ATOM 509 C ASP A 32 -5.213 -8.054 -8.266 1.00 14.04 C ATOM 510 O ASP A 32 -5.841 -9.028 -8.644 1.00 13.39 O ATOM 511 CB ASP A 32 -3.651 -6.878 -9.821 1.00 18.01 C ATOM 512 CG ASP A 32 -3.511 -8.042 -10.752 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.263 -8.046 -11.750 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.696 -8.975 -10.588 1.00 26.29 O ATOM 0 H ASP A 32 -4.366 -5.036 -8.465 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.823 -6.941 -9.967 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.478 -5.947 -10.361 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.896 -6.936 -9.037 1.00 18.01 H new ATOM 519 N LYS A 33 -4.693 -8.020 -7.030 1.00 14.22 N ATOM 520 CA LYS A 33 -4.994 -9.120 -6.044 1.00 14.00 C ATOM 521 C LYS A 33 -6.451 -9.127 -5.539 1.00 12.37 C ATOM 522 O LYS A 33 -7.137 -10.171 -5.605 1.00 12.17 O ATOM 523 CB LYS A 33 -4.055 -8.909 -4.777 1.00 18.62 C ATOM 524 CG LYS A 33 -2.594 -9.200 -4.994 1.00 24.00 C ATOM 525 CD LYS A 33 -2.193 -10.710 -4.810 1.00 27.61 C ATOM 526 CE LYS A 33 -0.715 -10.908 -5.140 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.322 -12.219 -4.677 1.00 30.06 N ATOM 0 H LYS A 33 -4.083 -7.282 -6.679 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.823 -10.064 -6.561 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.155 -7.877 -4.441 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.417 -9.544 -3.969 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.320 -8.885 -6.001 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.010 -8.595 -4.301 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.389 -11.023 -3.785 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.805 -11.338 -5.458 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.550 -10.818 -6.214 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.111 -10.138 -4.659 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.341 -12.122 -3.882 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.164 -12.743 -4.364 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.140 -12.737 -5.452 1.00 30.06 H new ATOM 541 N GLU A 34 -6.979 -8.035 -4.915 1.00 10.11 N ATOM 542 CA GLU A 34 -8.210 -8.170 -4.074 1.00 10.07 C ATOM 543 C GLU A 34 -9.433 -7.480 -4.712 1.00 9.32 C ATOM 544 O GLU A 34 -10.540 -7.547 -4.214 1.00 11.61 O ATOM 545 CB GLU A 34 -7.899 -7.328 -2.793 1.00 14.77 C ATOM 546 CG GLU A 34 -6.725 -7.851 -1.978 1.00 18.75 C ATOM 547 CD GLU A 34 -7.066 -9.221 -1.398 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.014 -9.302 -0.598 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.449 -10.230 -1.753 1.00 25.19 O ATOM 0 H GLU A 34 -6.595 -7.092 -4.971 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.434 -9.226 -3.920 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.693 -6.299 -3.088 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.786 -7.307 -2.160 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.838 -7.923 -2.607 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.490 -7.154 -1.174 1.00 18.75 H new ATOM 556 N GLY A 35 -9.175 -6.707 -5.797 1.00 7.22 N ATOM 557 CA GLY A 35 -10.226 -5.918 -6.528 1.00 6.29 C ATOM 558 C GLY A 35 -10.567 -4.551 -5.993 1.00 6.93 C ATOM 559 O GLY A 35 -11.544 -3.897 -6.418 1.00 7.41 O ATOM 0 H GLY A 35 -8.242 -6.606 -6.196 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.902 -5.803 -7.562 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.141 -6.511 -6.545 1.00 6.29 H new ATOM 563 N ILE A 36 -9.889 -4.059 -4.952 1.00 5.86 N ATOM 564 CA ILE A 36 -10.205 -2.789 -4.299 1.00 6.07 C ATOM 565 C ILE A 36 -9.863 -1.607 -5.163 1.00 6.36 C ATOM 566 O ILE A 36 -8.700 -1.525 -5.580 1.00 6.18 O ATOM 567 CB ILE A 36 -9.509 -2.618 -2.971 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.598 -3.847 -2.059 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.251 -1.449 -2.203 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.546 -3.995 -0.992 1.00 9.49 C ATOM 0 H ILE A 36 -9.093 -4.541 -4.534 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.281 -2.826 -4.131 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.457 -2.430 -3.184 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.573 -3.835 -1.572 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.567 -4.736 -2.688 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.777 -1.292 -1.234 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.190 -0.532 -2.789 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.297 -1.717 -2.056 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.731 -4.906 -0.423 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.562 -4.051 -1.457 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.583 -3.135 -0.323 1.00 9.49 H new ATOM 582 N PRO A 37 -10.746 -0.597 -5.456 1.00 8.65 N ATOM 583 CA PRO A 37 -10.251 0.509 -6.263 1.00 9.18 C ATOM 584 C PRO A 37 -9.291 1.421 -5.485 1.00 9.85 C ATOM 585 O PRO A 37 -9.519 1.612 -4.315 1.00 8.51 O ATOM 586 CB PRO A 37 -11.516 1.272 -6.657 1.00 11.42 C ATOM 587 CG PRO A 37 -12.679 0.166 -6.536 1.00 9.27 C ATOM 588 CD PRO A 37 -12.211 -0.629 -5.340 1.00 8.33 C ATOM 0 HA PRO A 37 -9.674 0.155 -7.117 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.697 2.118 -5.994 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.445 1.670 -7.669 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.658 0.616 -6.372 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.756 -0.449 -7.433 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.549 -0.183 -4.405 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.593 -1.650 -5.363 1.00 8.33 H new ATOM 596 N PRO A 38 -8.219 1.997 -6.087 1.00 8.71 N ATOM 597 CA PRO A 38 -7.273 2.738 -5.323 1.00 9.08 C ATOM 598 C PRO A 38 -7.875 3.990 -4.604 1.00 9.28 C ATOM 599 O PRO A 38 -7.462 4.256 -3.472 1.00 6.50 O ATOM 600 CB PRO A 38 -6.114 3.094 -6.265 1.00 10.31 C ATOM 601 CG PRO A 38 -6.064 1.956 -7.267 1.00 10.81 C ATOM 602 CD PRO A 38 -7.549 1.474 -7.356 1.00 12.00 C ATOM 0 HA PRO A 38 -6.920 2.124 -4.495 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.286 4.050 -6.760 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.174 3.182 -5.720 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.693 2.291 -8.236 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.403 1.157 -6.932 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.037 1.866 -8.248 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.607 0.387 -7.412 1.00 12.00 H new ATOM 610 N ASP A 39 -8.972 4.653 -5.087 1.00 11.20 N ATOM 611 CA ASP A 39 -9.818 5.661 -4.435 1.00 14.96 C ATOM 612 C ASP A 39 -10.364 5.151 -3.070 1.00 13.99 C ATOM 613 O ASP A 39 -10.613 5.981 -2.190 1.00 13.75 O ATOM 614 CB ASP A 39 -10.997 5.922 -5.348 1.00 24.16 C ATOM 615 CG ASP A 39 -10.546 6.750 -6.502 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.964 7.901 -6.298 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.708 6.339 -7.679 1.00 35.55 O ATOM 0 H ASP A 39 -9.303 4.465 -6.033 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.227 6.559 -4.254 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.414 4.979 -5.702 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.788 6.436 -4.803 1.00 24.16 H new ATOM 622 N GLN A 40 -10.508 3.867 -2.896 1.00 11.60 N ATOM 623 CA GLN A 40 -11.040 3.307 -1.704 1.00 10.76 C ATOM 624 C GLN A 40 -9.994 2.698 -0.844 1.00 8.01 C ATOM 625 O GLN A 40 -10.263 2.018 0.146 1.00 8.96 O ATOM 626 CB GLN A 40 -12.053 2.233 -2.131 1.00 11.14 C ATOM 627 CG GLN A 40 -13.309 2.740 -2.957 1.00 14.85 C ATOM 628 CD GLN A 40 -14.297 1.569 -3.166 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.413 0.674 -2.333 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.965 1.647 -4.326 1.00 18.16 N ATOM 0 H GLN A 40 -10.251 3.174 -3.599 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.503 4.095 -1.111 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.529 1.487 -2.729 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.414 1.728 -1.235 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.802 3.555 -2.426 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.988 3.135 -3.921 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.801 2.432 -4.957 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.637 0.922 -4.577 1.00 18.16 H new ATOM 639 N GLN A 41 -8.743 2.750 -1.272 1.00 6.52 N ATOM 640 CA GLN A 41 -7.656 2.403 -0.449 1.00 3.87 C ATOM 641 C GLN A 41 -7.014 3.563 0.318 1.00 4.79 C ATOM 642 O GLN A 41 -6.632 4.565 -0.271 1.00 6.34 O ATOM 643 CB GLN A 41 -6.554 1.723 -1.286 1.00 4.20 C ATOM 644 CG GLN A 41 -7.023 0.515 -1.989 1.00 3.20 C ATOM 645 CD GLN A 41 -5.882 -0.256 -2.604 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.769 -0.474 -2.119 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.154 -0.847 -3.793 1.00 7.13 N ATOM 0 H GLN A 41 -8.478 3.040 -2.213 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.085 1.734 0.296 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.170 2.435 -2.017 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.723 1.456 -0.633 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.560 -0.127 -1.290 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.730 0.800 -2.768 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.059 -0.701 -4.240 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.453 -1.438 -4.241 1.00 7.13 H new ATOM 656 N ARG A 42 -6.756 3.428 1.576 1.00 5.73 N ATOM 657 CA ARG A 42 -5.784 4.238 2.327 1.00 6.97 C ATOM 658 C ARG A 42 -4.605 3.413 2.714 1.00 7.15 C ATOM 659 O ARG A 42 -4.786 2.372 3.332 1.00 7.33 O ATOM 660 CB ARG A 42 -6.592 4.921 3.484 1.00 13.23 C ATOM 661 CG ARG A 42 -5.897 5.934 4.416 1.00 21.27 C ATOM 662 CD ARG A 42 -6.884 6.769 5.129 1.00 26.14 C ATOM 663 NE ARG A 42 -7.447 7.802 4.227 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.753 8.061 4.131 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.697 7.282 4.555 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.078 9.148 3.439 1.00 36.39 N ATOM 0 H ARG A 42 -7.222 2.730 2.156 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.324 5.037 1.745 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.442 5.429 3.029 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.994 4.126 4.112 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.278 5.402 5.138 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.231 6.571 3.833 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.686 6.141 5.516 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.411 7.247 5.987 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.803 8.343 3.650 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.464 6.395 5.002 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.673 7.556 4.442 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.347 9.724 3.022 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.058 9.406 3.325 1.00 36.39 H new ATOM 680 N LEU A 43 -3.418 3.845 2.252 1.00 4.65 N ATOM 681 CA LEU A 43 -2.187 3.148 2.596 1.00 3.51 C ATOM 682 C LEU A 43 -1.413 3.829 3.678 1.00 5.56 C ATOM 683 O LEU A 43 -1.360 5.081 3.774 1.00 4.19 O ATOM 684 CB LEU A 43 -1.238 2.793 1.414 1.00 3.74 C ATOM 685 CG LEU A 43 -1.922 1.888 0.354 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.936 1.519 -0.791 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.380 0.610 1.014 1.00 6.41 C ATOM 0 H LEU A 43 -3.295 4.660 1.651 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.567 2.195 2.962 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.897 3.712 0.937 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.353 2.288 1.802 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.765 2.436 -0.066 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.443 0.885 -1.518 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.591 2.429 -1.282 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.081 0.984 -0.377 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.861 -0.029 0.274 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.520 0.091 1.438 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.090 0.844 1.807 1.00 6.41 H new ATOM 699 N ILE A 44 -0.981 2.944 4.631 1.00 4.58 N ATOM 700 CA ILE A 44 -0.616 3.323 5.910 1.00 5.55 C ATOM 701 C ILE A 44 0.678 2.598 6.195 1.00 5.46 C ATOM 702 O ILE A 44 0.718 1.363 6.100 1.00 6.04 O ATOM 703 CB ILE A 44 -1.648 2.818 6.947 1.00 6.80 C ATOM 704 CG1 ILE A 44 -3.033 3.416 6.881 1.00 10.31 C ATOM 705 CG2 ILE A 44 -1.069 3.117 8.367 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.986 4.956 7.092 1.00 13.90 C ATOM 0 H ILE A 44 -0.898 1.941 4.463 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.542 4.408 5.976 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.787 1.761 6.721 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.484 3.191 5.915 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.666 2.960 7.642 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.772 2.774 9.126 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.119 2.596 8.490 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.912 4.190 8.477 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.996 5.361 7.040 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.557 5.176 8.069 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.372 5.411 6.315 1.00 13.90 H new ATOM 718 N PHE A 45 1.702 3.294 6.597 1.00 6.75 N ATOM 719 CA PHE A 45 2.967 2.745 7.065 1.00 4.70 C ATOM 720 C PHE A 45 3.705 3.839 7.889 1.00 6.34 C ATOM 721 O PHE A 45 3.369 5.007 7.837 1.00 5.45 O ATOM 722 CB PHE A 45 3.709 2.023 5.921 1.00 5.51 C ATOM 723 CG PHE A 45 4.993 1.408 6.327 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.062 0.336 7.257 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.175 2.031 5.875 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.290 -0.171 7.650 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.398 1.449 6.270 1.00 6.64 C ATOM 728 CZ PHE A 45 7.424 0.373 7.134 1.00 6.84 C ATOM 0 H PHE A 45 1.689 4.314 6.613 1.00 6.75 H new ATOM 0 HA PHE A 45 2.851 1.928 7.777 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.060 1.248 5.514 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.898 2.735 5.118 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.153 -0.086 7.659 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.145 2.914 5.254 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.346 -0.986 8.356 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.326 1.851 5.891 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.378 -0.051 7.410 1.00 6.84 H new ATOM 738 N ALA A 46 4.741 3.492 8.684 1.00 6.53 N ATOM 739 CA ALA A 46 5.543 4.415 9.540 1.00 7.15 C ATOM 740 C ALA A 46 4.637 5.345 10.389 1.00 9.00 C ATOM 741 O ALA A 46 4.864 6.535 10.512 1.00 11.15 O ATOM 742 CB ALA A 46 6.438 5.226 8.552 1.00 8.99 C ATOM 0 H ALA A 46 5.060 2.526 8.755 1.00 6.53 H new ATOM 0 HA ALA A 46 6.144 3.865 10.264 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.057 5.927 9.113 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.078 4.542 7.996 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.805 5.777 7.856 1.00 8.99 H new ATOM 748 N GLY A 47 3.549 4.784 10.975 1.00 9.35 N ATOM 749 CA GLY A 47 2.623 5.600 11.867 1.00 11.68 C ATOM 750 C GLY A 47 1.660 6.518 11.151 1.00 11.14 C ATOM 751 O GLY A 47 0.993 7.352 11.801 1.00 13.93 O ATOM 0 H GLY A 47 3.280 3.806 10.865 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.047 4.912 12.486 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.234 6.200 12.541 1.00 11.68 H new ATOM 755 N LYS A 48 1.556 6.521 9.814 1.00 10.47 N ATOM 756 CA LYS A 48 0.880 7.557 9.073 1.00 8.82 C ATOM 757 C LYS A 48 0.410 7.055 7.690 1.00 7.68 C ATOM 758 O LYS A 48 0.722 5.957 7.206 1.00 6.47 O ATOM 759 CB LYS A 48 1.818 8.772 8.850 1.00 9.74 C ATOM 760 CG LYS A 48 3.079 8.535 8.013 1.00 14.14 C ATOM 761 CD LYS A 48 3.867 9.844 7.729 1.00 16.32 C ATOM 762 CE LYS A 48 5.047 9.691 6.752 1.00 20.04 C ATOM 763 NZ LYS A 48 5.477 11.003 6.202 1.00 23.92 N ATOM 0 H LYS A 48 1.949 5.788 9.224 1.00 10.47 H new ATOM 0 HA LYS A 48 0.013 7.850 9.665 1.00 8.82 H new ATOM 0 HB2 LYS A 48 1.239 9.563 8.373 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.125 9.146 9.827 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.728 7.831 8.534 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.800 8.072 7.067 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.177 10.587 7.329 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.245 10.236 8.673 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.885 9.219 7.264 1.00 20.04 H new ATOM 0 HE3 LYS A 48 4.760 9.030 5.934 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.273 10.861 5.548 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 4.684 11.442 5.692 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.775 11.625 6.980 1.00 23.92 H new ATOM 777 N GLN A 49 -0.388 7.921 6.994 1.00 8.89 N ATOM 778 CA GLN A 49 -0.556 7.811 5.584 1.00 7.18 C ATOM 779 C GLN A 49 0.659 8.004 4.676 1.00 8.23 C ATOM 780 O GLN A 49 1.539 8.851 4.957 1.00 9.70 O ATOM 781 CB GLN A 49 -1.711 8.748 5.175 1.00 11.67 C ATOM 782 CG GLN A 49 -2.396 8.426 3.817 1.00 15.82 C ATOM 783 CD GLN A 49 -3.507 9.441 3.589 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.673 8.925 3.526 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.264 10.710 3.590 1.00 20.67 N ATOM 0 H GLN A 49 -0.907 8.688 7.422 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.769 6.756 5.414 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.469 8.722 5.958 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.329 9.768 5.135 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.669 8.470 3.006 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.802 7.415 3.827 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.302 11.045 3.643 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.034 11.377 3.538 1.00 20.67 H new ATOM 794 N LEU A 50 0.755 7.298 3.547 1.00 6.51 N ATOM 795 CA LEU A 50 1.725 7.527 2.556 1.00 7.41 C ATOM 796 C LEU A 50 1.252 8.340 1.371 1.00 8.27 C ATOM 797 O LEU A 50 0.088 8.499 1.022 1.00 8.34 O ATOM 798 CB LEU A 50 2.322 6.212 2.044 1.00 7.13 C ATOM 799 CG LEU A 50 2.678 5.157 3.119 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.487 4.005 2.404 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.559 5.701 4.221 1.00 9.11 C ATOM 0 H LEU A 50 0.121 6.531 3.321 1.00 6.51 H new ATOM 0 HA LEU A 50 2.482 8.124 3.065 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.615 5.764 1.346 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.225 6.443 1.479 1.00 7.13 H new ATOM 0 HG LEU A 50 1.745 4.821 3.571 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.755 3.242 3.134 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.872 3.559 1.622 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.393 4.418 1.961 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.771 4.911 4.941 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.494 6.063 3.794 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.048 6.522 4.724 1.00 9.11 H new ATOM 813 N GLU A 51 2.284 8.940 0.746 1.00 9.43 N ATOM 814 CA GLU A 51 2.037 9.729 -0.475 1.00 11.90 C ATOM 815 C GLU A 51 2.020 8.848 -1.700 1.00 11.49 C ATOM 816 O GLU A 51 2.922 8.084 -1.948 1.00 9.88 O ATOM 817 CB GLU A 51 3.078 10.833 -0.666 1.00 16.56 C ATOM 818 CG GLU A 51 3.183 11.790 0.533 1.00 26.06 C ATOM 819 CD GLU A 51 4.136 12.859 0.513 1.00 29.86 C ATOM 820 OE1 GLU A 51 4.381 13.476 -0.539 1.00 33.44 O ATOM 821 OE2 GLU A 51 4.624 13.283 1.628 1.00 32.13 O ATOM 0 H GLU A 51 3.257 8.898 1.050 1.00 9.43 H new ATOM 0 HA GLU A 51 1.059 10.193 -0.348 1.00 11.90 H new ATOM 0 HB2 GLU A 51 4.052 10.377 -0.843 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.828 11.407 -1.558 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.199 12.235 0.680 1.00 26.06 H new ATOM 0 HG3 GLU A 51 3.393 11.184 1.414 1.00 26.06 H new ATOM 828 N ASP A 52 1.049 9.132 -2.572 1.00 12.71 N ATOM 829 CA ASP A 52 0.779 8.402 -3.825 1.00 16.56 C ATOM 830 C ASP A 52 2.007 8.277 -4.734 1.00 15.83 C ATOM 831 O ASP A 52 2.403 7.251 -5.268 1.00 17.21 O ATOM 832 CB ASP A 52 -0.347 9.161 -4.571 1.00 21.05 C ATOM 833 CG ASP A 52 -1.591 9.344 -3.718 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.220 8.386 -3.232 1.00 25.82 O ATOM 835 OD2 ASP A 52 -1.992 10.492 -3.574 1.00 28.37 O ATOM 0 H ASP A 52 0.401 9.906 -2.424 1.00 12.71 H new ATOM 0 HA ASP A 52 0.489 7.383 -3.571 1.00 16.56 H new ATOM 0 HB2 ASP A 52 0.023 10.138 -4.882 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.609 8.616 -5.478 1.00 21.05 H new ATOM 840 N GLY A 53 2.719 9.432 -4.970 1.00 15.00 N ATOM 841 CA GLY A 53 3.727 9.503 -6.015 1.00 11.77 C ATOM 842 C GLY A 53 5.075 9.138 -5.574 1.00 11.10 C ATOM 843 O GLY A 53 6.001 9.209 -6.436 1.00 11.25 O ATOM 0 H GLY A 53 2.594 10.297 -4.444 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.434 8.845 -6.833 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.750 10.517 -6.414 1.00 11.77 H new ATOM 847 N ARG A 54 5.259 8.771 -4.318 1.00 8.53 N ATOM 848 CA ARG A 54 6.596 8.379 -3.853 1.00 9.05 C ATOM 849 C ARG A 54 6.861 6.869 -4.024 1.00 8.96 C ATOM 850 O ARG A 54 5.924 6.083 -4.324 1.00 11.60 O ATOM 851 CB ARG A 54 6.772 8.700 -2.415 1.00 7.97 C ATOM 852 CG ARG A 54 6.538 10.136 -1.954 1.00 9.62 C ATOM 853 CD ARG A 54 7.655 11.182 -2.242 1.00 12.20 C ATOM 854 NE ARG A 54 6.990 12.458 -1.757 1.00 18.23 N ATOM 855 CZ ARG A 54 7.590 13.637 -1.413 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.861 13.900 -1.566 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.793 14.488 -0.861 1.00 23.38 N ATOM 0 H ARG A 54 4.526 8.733 -3.610 1.00 8.53 H new ATOM 0 HA ARG A 54 7.299 8.941 -4.467 1.00 9.05 H new ATOM 0 HB2 ARG A 54 6.100 8.056 -1.847 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.789 8.424 -2.136 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.618 10.491 -2.419 1.00 9.62 H new ATOM 0 HG3 ARG A 54 6.365 10.118 -0.878 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.574 10.964 -1.698 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.914 11.228 -3.300 1.00 12.20 H new ATOM 0 HE ARG A 54 5.973 12.432 -1.678 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.482 13.198 -1.968 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.232 14.807 -1.283 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.812 14.249 -0.718 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.144 15.399 -0.567 1.00 23.38 H new ATOM 871 N THR A 55 8.127 6.488 -3.951 1.00 9.05 N ATOM 872 CA THR A 55 8.586 5.088 -4.006 1.00 9.03 C ATOM 873 C THR A 55 8.625 4.434 -2.658 1.00 8.15 C ATOM 874 O THR A 55 8.599 5.087 -1.635 1.00 5.91 O ATOM 875 CB THR A 55 9.955 4.831 -4.695 1.00 11.15 C ATOM 876 OG1 THR A 55 11.073 5.284 -3.879 1.00 11.95 O ATOM 877 CG2 THR A 55 9.997 5.557 -6.056 1.00 11.71 C ATOM 0 H THR A 55 8.893 7.154 -3.849 1.00 9.05 H new ATOM 0 HA THR A 55 7.820 4.641 -4.640 1.00 9.03 H new ATOM 0 HB THR A 55 10.053 3.754 -4.833 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.790 4.616 -3.906 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.958 5.375 -6.536 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.196 5.182 -6.693 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.866 6.628 -5.901 1.00 11.71 H new ATOM 885 N LEU A 56 8.713 3.128 -2.661 1.00 6.91 N ATOM 886 CA LEU A 56 8.918 2.302 -1.490 1.00 8.29 C ATOM 887 C LEU A 56 10.317 2.612 -0.845 1.00 8.05 C ATOM 888 O LEU A 56 10.473 2.628 0.389 1.00 10.17 O ATOM 889 CB LEU A 56 8.800 0.827 -1.911 1.00 6.60 C ATOM 890 CG LEU A 56 7.347 0.420 -2.313 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.307 -1.004 -2.894 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.380 0.516 -1.116 1.00 8.64 C ATOM 0 H LEU A 56 8.641 2.582 -3.520 1.00 6.91 H new ATOM 0 HA LEU A 56 8.162 2.517 -0.734 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.469 0.640 -2.751 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.135 0.193 -1.090 1.00 6.60 H new ATOM 0 HG LEU A 56 7.023 1.124 -3.079 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.282 -1.258 -3.164 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.939 -1.053 -3.781 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.672 -1.711 -2.149 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.378 0.225 -1.433 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.717 -0.150 -0.322 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.360 1.541 -0.746 1.00 8.64 H new ATOM 904 N SER A 57 11.301 2.862 -1.712 1.00 8.92 N ATOM 905 CA SER A 57 12.613 3.294 -1.260 1.00 9.00 C ATOM 906 C SER A 57 12.734 4.701 -0.578 1.00 9.44 C ATOM 907 O SER A 57 13.575 4.775 0.329 1.00 10.91 O ATOM 908 CB SER A 57 13.730 3.158 -2.346 1.00 10.32 C ATOM 909 OG SER A 57 13.418 3.886 -3.522 1.00 13.59 O ATOM 0 H SER A 57 11.209 2.772 -2.724 1.00 8.92 H new ATOM 0 HA SER A 57 12.769 2.573 -0.458 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.676 3.514 -1.939 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.866 2.106 -2.596 1.00 10.32 H new ATOM 0 HG SER A 57 14.140 3.777 -4.175 1.00 13.59 H new ATOM 915 N ASP A 58 11.905 5.680 -0.867 1.00 9.11 N ATOM 916 CA ASP A 58 11.681 6.888 -0.127 1.00 7.91 C ATOM 917 C ASP A 58 11.420 6.667 1.371 1.00 9.12 C ATOM 918 O ASP A 58 12.032 7.333 2.175 1.00 8.61 O ATOM 919 CB ASP A 58 10.512 7.760 -0.782 1.00 8.41 C ATOM 920 CG ASP A 58 10.891 8.287 -2.142 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.073 8.667 -2.332 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.062 8.465 -3.049 1.00 11.70 O ATOM 0 H ASP A 58 11.321 5.640 -1.703 1.00 9.11 H new ATOM 0 HA ASP A 58 12.618 7.442 -0.189 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.611 7.152 -0.868 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.271 8.595 -0.124 1.00 8.41 H new ATOM 927 N TYR A 59 10.628 5.623 1.741 1.00 7.97 N ATOM 928 CA TYR A 59 10.256 5.222 3.102 1.00 8.45 C ATOM 929 C TYR A 59 11.212 4.163 3.683 1.00 10.98 C ATOM 930 O TYR A 59 10.936 3.560 4.754 1.00 12.95 O ATOM 931 CB TYR A 59 8.826 4.788 3.156 1.00 7.94 C ATOM 932 CG TYR A 59 7.855 5.920 2.717 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.504 6.873 3.721 1.00 4.59 C ATOM 934 CD2 TYR A 59 7.342 6.026 1.447 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.689 7.963 3.447 1.00 5.39 C ATOM 936 CE2 TYR A 59 6.447 7.146 1.152 1.00 6.52 C ATOM 937 CZ TYR A 59 6.161 8.064 2.129 1.00 6.76 C ATOM 938 OH TYR A 59 5.244 9.189 1.871 1.00 7.63 O ATOM 0 H TYR A 59 10.212 5.008 1.042 1.00 7.97 H new ATOM 0 HA TYR A 59 10.358 6.098 3.742 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.686 3.920 2.511 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.581 4.474 4.171 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.884 6.742 4.723 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.593 5.302 0.686 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.465 8.703 4.202 1.00 5.39 H new ATOM 0 HE2 TYR A 59 6.014 7.249 0.168 1.00 6.52 H new ATOM 0 HH TYR A 59 5.293 9.440 0.925 1.00 7.63 H new ATOM 948 N ASN A 60 12.327 3.956 2.970 1.00 12.38 N ATOM 949 CA ASN A 60 13.383 3.032 3.304 1.00 13.94 C ATOM 950 C ASN A 60 12.814 1.586 3.435 1.00 14.16 C ATOM 951 O ASN A 60 13.216 0.837 4.283 1.00 14.26 O ATOM 952 CB ASN A 60 14.159 3.454 4.513 1.00 19.23 C ATOM 953 CG ASN A 60 14.469 4.967 4.537 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.060 5.729 5.404 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.169 5.428 3.494 1.00 24.09 N ATOM 0 H ASN A 60 12.512 4.461 2.103 1.00 12.38 H new ATOM 0 HA ASN A 60 14.102 3.038 2.485 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.596 3.190 5.409 1.00 19.23 H new ATOM 0 HB3 ASN A 60 15.095 2.897 4.549 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.368 6.425 3.414 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.504 4.782 2.779 1.00 24.09 H new ATOM 962 N ILE A 61 11.912 1.241 2.528 1.00 11.08 N ATOM 963 CA ILE A 61 11.315 -0.111 2.522 1.00 11.78 C ATOM 964 C ILE A 61 12.288 -1.028 1.807 1.00 13.74 C ATOM 965 O ILE A 61 12.899 -0.715 0.753 1.00 14.60 O ATOM 966 CB ILE A 61 9.883 -0.177 1.946 1.00 11.80 C ATOM 967 CG1 ILE A 61 9.019 0.547 3.008 1.00 11.56 C ATOM 968 CG2 ILE A 61 9.425 -1.627 1.741 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.648 0.868 2.376 1.00 11.42 C ATOM 0 H ILE A 61 11.573 1.860 1.791 1.00 11.08 H new ATOM 0 HA ILE A 61 11.170 -0.438 3.551 1.00 11.78 H new ATOM 0 HB ILE A 61 9.808 0.286 0.962 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.894 -0.082 3.889 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.510 1.463 3.337 1.00 11.56 H new ATOM 0 HG21 ILE A 61 8.414 -1.635 1.335 1.00 13.29 H new ATOM 0 HG22 ILE A 61 10.099 -2.127 1.046 1.00 13.29 H new ATOM 0 HG23 ILE A 61 9.436 -2.151 2.697 1.00 13.29 H new ATOM 0 HD11 ILE A 61 7.021 1.379 3.107 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.789 1.510 1.507 1.00 11.42 H new ATOM 0 HD13 ILE A 61 7.164 -0.058 2.067 1.00 11.42 H new ATOM 981 N GLN A 62 12.373 -2.264 2.320 1.00 13.97 N ATOM 982 CA GLN A 62 13.247 -3.358 1.908 1.00 15.52 C ATOM 983 C GLN A 62 12.483 -4.594 2.049 1.00 13.94 C ATOM 984 O GLN A 62 11.339 -4.631 2.591 1.00 12.15 O ATOM 985 CB GLN A 62 14.483 -3.506 2.777 1.00 19.53 C ATOM 986 CG GLN A 62 15.512 -2.346 2.629 1.00 26.38 C ATOM 987 CD GLN A 62 16.657 -2.359 3.643 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.795 -1.439 4.511 1.00 33.23 O ATOM 989 NE2 GLN A 62 17.478 -3.429 3.524 1.00 32.71 N ATOM 0 H GLN A 62 11.778 -2.542 3.101 1.00 13.97 H new ATOM 0 HA GLN A 62 13.577 -3.150 0.890 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.174 -3.571 3.820 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.975 -4.447 2.531 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.936 -2.383 1.626 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.982 -1.398 2.716 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.304 -4.128 2.802 1.00 32.71 H new ATOM 0 HE22 GLN A 62 18.271 -3.536 4.157 1.00 32.71 H new ATOM 998 N LYS A 63 12.986 -5.702 1.512 1.00 11.73 N ATOM 999 CA LYS A 63 12.182 -6.839 1.248 1.00 11.97 C ATOM 1000 C LYS A 63 11.648 -7.474 2.549 1.00 10.41 C ATOM 1001 O LYS A 63 12.308 -7.582 3.597 1.00 9.59 O ATOM 1002 CB LYS A 63 12.938 -7.828 0.348 1.00 13.73 C ATOM 1003 CG LYS A 63 14.128 -8.552 0.910 1.00 16.98 C ATOM 1004 CD LYS A 63 15.194 -8.968 -0.138 1.00 20.19 C ATOM 1005 CE LYS A 63 16.435 -9.604 0.567 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.545 -9.840 -0.349 1.00 25.97 N ATOM 0 H LYS A 63 13.967 -5.814 1.256 1.00 11.73 H new ATOM 0 HA LYS A 63 11.296 -6.524 0.697 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.224 -8.579 0.010 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.270 -7.283 -0.536 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.603 -7.916 1.657 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.780 -9.446 1.428 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.763 -9.681 -0.841 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.503 -8.097 -0.716 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.767 -8.947 1.371 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.142 -10.548 1.027 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.340 -10.262 0.171 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.241 -10.489 -1.103 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.846 -8.938 -0.769 1.00 25.97 H new ATOM 1020 N GLU A 64 10.343 -7.972 2.487 1.00 10.04 N ATOM 1021 CA GLU A 64 9.648 -8.761 3.478 1.00 10.94 C ATOM 1022 C GLU A 64 9.210 -7.918 4.678 1.00 9.74 C ATOM 1023 O GLU A 64 8.764 -8.421 5.698 1.00 9.42 O ATOM 1024 CB GLU A 64 10.312 -10.078 3.859 1.00 18.31 C ATOM 1025 CG GLU A 64 10.310 -11.097 2.738 1.00 24.16 C ATOM 1026 CD GLU A 64 10.833 -12.454 3.141 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.106 -13.168 3.890 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.990 -12.781 2.689 1.00 31.72 O ATOM 0 H GLU A 64 9.755 -7.794 1.673 1.00 10.04 H new ATOM 0 HA GLU A 64 8.740 -9.095 2.977 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.341 -9.884 4.162 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.799 -10.499 4.724 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.292 -11.208 2.363 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.913 -10.717 1.914 1.00 24.16 H new ATOM 1035 N SER A 65 9.207 -6.594 4.435 1.00 6.85 N ATOM 1036 CA SER A 65 8.504 -5.635 5.336 1.00 6.90 C ATOM 1037 C SER A 65 7.025 -5.839 5.264 1.00 4.72 C ATOM 1038 O SER A 65 6.414 -6.230 4.232 1.00 3.91 O ATOM 1039 CB SER A 65 8.847 -4.196 4.875 1.00 7.28 C ATOM 1040 OG SER A 65 8.533 -3.140 5.754 1.00 10.56 O ATOM 0 H SER A 65 9.673 -6.160 3.638 1.00 6.85 H new ATOM 0 HA SER A 65 8.826 -5.797 6.365 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.916 -4.155 4.668 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.332 -4.013 3.932 1.00 7.28 H new ATOM 0 HG SER A 65 8.799 -2.288 5.350 1.00 10.56 H new ATOM 1046 N THR A 66 6.320 -5.535 6.396 1.00 4.48 N ATOM 1047 CA THR A 66 4.878 -5.604 6.539 1.00 3.80 C ATOM 1048 C THR A 66 4.429 -4.163 6.684 1.00 4.60 C ATOM 1049 O THR A 66 4.892 -3.354 7.500 1.00 5.33 O ATOM 1050 CB THR A 66 4.327 -6.330 7.736 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.771 -7.704 7.603 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.772 -6.399 7.895 1.00 3.40 C ATOM 0 H THR A 66 6.782 -5.226 7.251 1.00 4.48 H new ATOM 0 HA THR A 66 4.517 -6.165 5.677 1.00 3.80 H new ATOM 0 HB THR A 66 4.681 -5.769 8.601 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.441 -8.229 8.362 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.523 -6.952 8.801 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.368 -5.389 7.964 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.340 -6.905 7.031 1.00 3.40 H new ATOM 1060 N LEU A 67 3.369 -3.827 5.934 1.00 4.17 N ATOM 1061 CA LEU A 67 2.914 -2.524 5.555 1.00 3.85 C ATOM 1062 C LEU A 67 1.418 -2.524 5.852 1.00 3.80 C ATOM 1063 O LEU A 67 0.918 -3.647 5.929 1.00 5.54 O ATOM 1064 CB LEU A 67 3.089 -2.264 4.036 1.00 7.18 C ATOM 1065 CG LEU A 67 4.411 -1.551 3.652 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.610 -2.526 3.714 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.228 -0.962 2.223 1.00 11.66 C ATOM 0 H LEU A 67 2.762 -4.551 5.550 1.00 4.17 H new ATOM 0 HA LEU A 67 3.479 -1.761 6.089 1.00 3.85 H new ATOM 0 HB2 LEU A 67 3.039 -3.217 3.509 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.251 -1.662 3.685 1.00 7.18 H new ATOM 0 HG LEU A 67 4.630 -0.752 4.360 1.00 9.67 H new ATOM 0 HD11 LEU A 67 6.523 -1.998 3.440 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.708 -2.918 4.726 1.00 8.12 H new ATOM 0 HD13 LEU A 67 5.445 -3.350 3.020 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.142 -0.452 1.920 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.013 -1.768 1.522 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.400 -0.253 2.225 1.00 11.66 H new ATOM 1079 N HIS A 68 0.637 -1.398 5.943 1.00 2.94 N ATOM 1080 CA HIS A 68 -0.773 -1.597 6.196 1.00 4.17 C ATOM 1081 C HIS A 68 -1.663 -0.853 5.154 1.00 5.32 C ATOM 1082 O HIS A 68 -1.205 0.058 4.373 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.159 -1.007 7.549 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.726 -1.934 8.681 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.516 -1.889 9.301 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.336 -3.001 9.217 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.642 -2.956 10.142 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.477 -3.666 10.154 1.00 16.30 N ATOM 0 H HIS A 68 0.954 -0.433 5.850 1.00 2.94 H new ATOM 0 HA HIS A 68 -0.936 -2.674 6.149 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.692 -0.030 7.673 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.237 -0.852 7.590 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.340 -3.318 8.976 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.527 -3.189 10.716 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.682 -4.499 10.706 1.00 16.30 H new ATOM 1096 N LEU A 69 -2.943 -1.308 5.064 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.064 -0.807 4.219 1.00 3.97 C ATOM 1098 C LEU A 69 -5.250 -0.757 5.161 1.00 5.07 C ATOM 1099 O LEU A 69 -5.610 -1.630 5.877 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.226 -1.748 2.992 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.573 -1.759 2.292 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.844 -0.412 1.615 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.731 -2.973 1.329 1.00 9.96 C ATOM 0 H LEU A 69 -3.243 -2.103 5.629 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.917 0.182 3.784 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.467 -1.477 2.258 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.007 -2.765 3.317 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.344 -1.895 3.051 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.814 -0.442 1.120 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.844 0.379 2.365 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.066 -0.212 0.878 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.711 -2.935 0.853 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.955 -2.935 0.565 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.638 -3.900 1.894 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.902 0.398 5.128 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.281 0.558 5.655 1.00 6.26 C ATOM 1117 C VAL A 70 -8.172 1.046 4.515 1.00 9.22 C ATOM 1118 O VAL A 70 -7.759 1.810 3.663 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.325 1.531 6.817 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.450 1.037 7.979 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.958 2.959 6.414 1.00 8.54 C ATOM 0 H VAL A 70 -5.506 1.255 4.741 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.636 -0.401 6.032 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.361 1.567 7.155 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.498 1.752 8.800 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.812 0.067 8.320 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.418 0.941 7.642 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -7.008 3.608 7.288 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.947 2.974 6.008 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.658 3.315 5.658 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.422 0.648 4.428 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.419 1.131 3.454 1.00 16.06 C ATOM 1133 C LEU A 71 -10.822 2.586 3.674 1.00 18.09 C ATOM 1134 O LEU A 71 -10.888 3.145 4.794 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.577 0.228 3.249 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.047 -1.161 2.750 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.187 -2.136 2.961 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.534 -1.131 1.338 1.00 19.57 C ATOM 0 H LEU A 71 -9.806 -0.056 5.059 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.891 1.106 2.501 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.133 0.109 4.179 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.265 0.655 2.519 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.168 -1.469 3.316 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.882 -3.129 2.632 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.447 -2.168 4.019 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.054 -1.813 2.384 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.183 -2.124 1.057 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.336 -0.826 0.666 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.710 -0.421 1.265 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.086 3.231 2.541 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.284 4.603 2.420 1.00 25.83 C ATOM 1152 C ARG A 72 -12.597 4.918 1.710 1.00 27.74 C ATOM 1153 O ARG A 72 -13.037 4.256 0.778 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.123 5.282 1.725 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.339 6.601 1.039 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.039 7.213 0.410 1.00 34.05 C ATOM 1157 NE ARG A 72 -9.355 8.642 0.103 1.00 35.08 N ATOM 1158 CZ ARG A 72 -8.582 9.422 -0.691 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -7.563 8.966 -1.442 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -8.950 10.689 -0.828 1.00 35.02 N ATOM 0 H ARG A 72 -11.164 2.744 1.648 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.343 5.003 3.432 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.337 5.425 2.467 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -9.736 4.586 0.980 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.085 6.473 0.254 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.751 7.310 1.758 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -8.200 7.140 1.102 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -8.754 6.675 -0.494 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.195 9.050 0.512 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -7.330 7.973 -1.437 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -7.023 9.613 -2.017 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -9.781 11.034 -0.347 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -8.402 11.319 -1.415 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.314 5.992 2.065 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.544 6.334 1.421 1.00 30.76 C ATOM 1176 C LEU A 73 -14.379 7.725 0.887 1.00 32.18 C ATOM 1177 O LEU A 73 -13.603 8.520 1.362 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.655 6.298 2.479 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.114 4.995 3.057 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.326 5.127 3.981 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.378 3.907 1.990 1.00 29.11 C ATOM 0 H LEU A 73 -13.040 6.634 2.809 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.798 5.648 0.613 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.327 6.921 3.311 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.529 6.782 2.044 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.269 4.670 3.664 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.602 4.144 4.362 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.078 5.783 4.815 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.163 5.549 3.425 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.707 2.990 2.479 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.152 4.251 1.304 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.461 3.712 1.434 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.182 8.131 -0.152 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.199 9.483 -0.634 1.00 35.33 C ATOM 1195 C ARG A 74 -15.538 10.519 0.489 1.00 36.22 C ATOM 1196 O ARG A 74 -14.922 11.616 0.471 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.050 9.737 -1.892 1.00 36.91 C ATOM 1198 CG ARG A 74 -15.544 9.015 -3.151 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.200 9.530 -4.470 1.00 39.75 C ATOM 1200 NE ARG A 74 -16.077 8.432 -5.515 1.00 41.13 N ATOM 1201 CZ ARG A 74 -15.078 8.291 -6.369 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -14.148 9.188 -6.604 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -15.091 7.176 -7.165 1.00 41.93 N ATOM 0 H ARG A 74 -15.817 7.506 -0.649 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.169 9.639 -0.955 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.075 9.423 -1.693 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -16.078 10.809 -2.088 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -14.463 9.137 -3.220 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -15.738 7.947 -3.051 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -17.247 9.781 -4.302 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.705 10.439 -4.812 1.00 39.75 H new ATOM 0 HE ARG A 74 -16.830 7.745 -5.561 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -14.162 10.079 -6.108 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -13.412 8.994 -7.283 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -15.850 6.499 -7.083 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -14.342 7.022 -7.840 1.00 41.93 H new ATOM 1217 N GLY A 75 -16.437 10.284 1.484 1.00 36.31 N ATOM 1218 CA GLY A 75 -16.603 11.077 2.652 1.00 36.07 C ATOM 1219 C GLY A 75 -15.618 10.901 3.713 1.00 36.16 C ATOM 1220 O GLY A 75 -15.823 11.551 4.745 1.00 36.26 O ATOM 0 H GLY A 75 -17.077 9.491 1.456 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -16.597 12.125 2.354 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -17.589 10.869 3.066 1.00 36.07 H new ATOM 1224 N GLY A 76 -14.587 10.019 3.590 1.00 36.05 N ATOM 1225 CA GLY A 76 -13.769 9.542 4.694 1.00 36.19 C ATOM 1226 C GLY A 76 -12.357 9.239 4.185 1.00 36.20 C ATOM 1227 O GLY A 76 -12.043 8.063 3.964 1.00 0.00 O ATOM 1228 OXT GLY A 76 -11.670 10.267 3.871 1.00 0.00 O ATOM 0 H GLY A 76 -14.312 9.623 2.691 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -13.730 10.293 5.483 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.211 8.645 5.128 1.00 36.19 H new TER 1232 GLY A 76