USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 7 THR OG1 : rot 53:sc= 0.757 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0679 USER MOD Single : A 1 MET CE :methyl -179:sc= -0.0829 (180deg=-0.086) USER MOD Single : A 1 MET N :NH3+ -178:sc= 2.47 (180deg=2.35) USER MOD Single : A 2 GLN : amide:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -141:sc= 1.17 (180deg=0.161) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 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 -170:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= 1.68 (180deg=-0.412) USER MOD Single : A 29 LYS NZ :NH3+ 147:sc= 1.2 (180deg=0.977) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.119 K(o=-0.12,f=-2.9!) USER MOD Single : A 41 GLN : amide:sc= 0.601 K(o=0.6,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00794 X(o=-0.0079,f=-0.26) USER MOD Single : A 55 THR OG1 : rot -89:sc= 1.06 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 60:sc= -0.137 USER MOD Single : A 60 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.053) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= 1.03 (180deg=0.682) 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 -13.063 3.825 -2.787 1.00 9.67 N ATOM 2 CA MET A 1 -12.657 3.829 -1.364 1.00 10.38 C ATOM 3 C MET A 1 -11.374 4.538 -1.094 1.00 9.62 C ATOM 4 O MET A 1 -10.401 4.421 -1.838 1.00 9.62 O ATOM 5 CB MET A 1 -12.634 2.404 -0.785 1.00 13.77 C ATOM 6 CG MET A 1 -12.364 2.287 0.717 1.00 16.29 C ATOM 7 SD MET A 1 -12.369 0.562 1.293 1.00 17.17 S ATOM 8 CE MET A 1 -10.775 -0.031 0.657 1.00 16.11 C ATOM 0 H1 MET A 1 -13.979 3.343 -2.885 1.00 9.67 H new ATOM 0 H2 MET A 1 -13.149 4.804 -3.126 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.347 3.325 -3.351 1.00 9.67 H new ATOM 0 HA MET A 1 -13.424 4.407 -0.849 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.593 1.933 -0.998 1.00 13.77 H new ATOM 0 HB3 MET A 1 -11.873 1.831 -1.315 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.400 2.740 0.946 1.00 16.29 H new ATOM 0 HG3 MET A 1 -13.119 2.851 1.264 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.647 -1.082 0.918 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.752 0.079 -0.427 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.967 0.553 1.098 1.00 16.11 H new ATOM 20 N GLN A 2 -11.313 5.316 0.001 1.00 9.27 N ATOM 21 CA GLN A 2 -10.212 6.157 0.352 1.00 9.07 C ATOM 22 C GLN A 2 -9.322 5.371 1.253 1.00 8.72 C ATOM 23 O GLN A 2 -9.788 5.055 2.346 1.00 8.22 O ATOM 24 CB GLN A 2 -10.669 7.456 1.037 1.00 14.46 C ATOM 25 CG GLN A 2 -9.482 8.399 1.240 1.00 17.01 C ATOM 26 CD GLN A 2 -10.023 9.820 1.279 1.00 20.10 C ATOM 27 OE1 GLN A 2 -10.358 10.473 2.267 1.00 21.89 O ATOM 28 NE2 GLN A 2 -10.275 10.313 0.037 1.00 19.49 N ATOM 0 H GLN A 2 -12.074 5.360 0.678 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.684 6.462 -0.551 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -11.431 7.946 0.430 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -11.127 7.226 1.999 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -8.960 8.163 2.167 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -8.761 8.286 0.430 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -10.001 9.780 -0.788 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -10.737 11.216 -0.069 1.00 19.49 H new ATOM 37 N ILE A 3 -8.069 5.141 0.822 1.00 5.87 N ATOM 38 CA ILE A 3 -6.989 4.595 1.584 1.00 5.07 C ATOM 39 C ILE A 3 -5.881 5.590 1.614 1.00 4.01 C ATOM 40 O ILE A 3 -5.762 6.427 0.720 1.00 4.61 O ATOM 41 CB ILE A 3 -6.372 3.263 1.276 1.00 6.55 C ATOM 42 CG1 ILE A 3 -6.012 3.187 -0.217 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.483 2.268 1.651 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.103 1.976 -0.427 1.00 10.83 C ATOM 0 H ILE A 3 -7.791 5.354 -0.136 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.510 4.385 2.518 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.445 3.066 1.814 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.914 3.095 -0.822 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.508 4.100 -0.534 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.139 1.251 1.465 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.730 2.380 2.707 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.369 2.467 1.048 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.834 1.901 -1.481 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.199 2.092 0.171 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.627 1.070 -0.121 1.00 10.83 H new ATOM 56 N PHE A 4 -5.084 5.539 2.696 1.00 4.55 N ATOM 57 CA PHE A 4 -3.987 6.455 2.730 1.00 4.68 C ATOM 58 C PHE A 4 -2.796 5.560 2.771 1.00 5.30 C ATOM 59 O PHE A 4 -2.742 4.479 3.355 1.00 5.58 O ATOM 60 CB PHE A 4 -3.922 7.410 3.934 1.00 4.83 C ATOM 61 CG PHE A 4 -5.086 8.333 4.060 1.00 7.97 C ATOM 62 CD1 PHE A 4 -5.265 9.339 3.140 1.00 8.34 C ATOM 63 CD2 PHE A 4 -6.086 8.078 4.969 1.00 6.69 C ATOM 64 CE1 PHE A 4 -6.355 10.173 3.215 1.00 10.61 C ATOM 65 CE2 PHE A 4 -7.190 8.894 5.031 1.00 9.10 C ATOM 66 CZ PHE A 4 -7.348 9.924 4.133 1.00 8.90 C ATOM 0 H PHE A 4 -5.184 4.912 3.494 1.00 4.55 H new ATOM 0 HA PHE A 4 -4.067 7.128 1.877 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -3.844 6.818 4.846 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -3.011 8.004 3.861 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -4.541 9.475 2.350 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -6.003 7.233 5.637 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -6.431 11.023 2.553 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -7.939 8.725 5.790 1.00 9.10 H new ATOM 0 HZ PHE A 4 -8.242 10.530 4.149 1.00 8.90 H new ATOM 76 N VAL A 5 -1.751 6.143 2.158 1.00 4.44 N ATOM 77 CA VAL A 5 -0.390 5.736 2.318 1.00 3.87 C ATOM 78 C VAL A 5 0.514 6.669 3.046 1.00 4.93 C ATOM 79 O VAL A 5 0.336 7.884 2.976 1.00 6.84 O ATOM 80 CB VAL A 5 0.276 5.319 1.040 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.685 4.731 1.228 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.596 4.211 0.427 1.00 9.13 C ATOM 0 H VAL A 5 -1.860 6.933 1.522 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.525 4.871 2.967 1.00 3.87 H new ATOM 0 HB VAL A 5 0.379 6.209 0.419 1.00 2.99 H new ATOM 0 HG11 VAL A 5 2.097 4.455 0.257 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.330 5.474 1.697 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.629 3.847 1.863 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.151 3.873 -0.509 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -0.661 3.373 1.121 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.596 4.600 0.234 1.00 9.13 H new ATOM 92 N LYS A 6 1.456 6.265 3.917 1.00 6.04 N ATOM 93 CA LYS A 6 2.300 7.165 4.640 1.00 6.12 C ATOM 94 C LYS A 6 3.737 6.866 4.383 1.00 6.57 C ATOM 95 O LYS A 6 4.226 5.740 4.467 1.00 5.76 O ATOM 96 CB LYS A 6 1.975 7.152 6.143 1.00 7.45 C ATOM 97 CG LYS A 6 2.664 8.246 6.961 1.00 11.12 C ATOM 98 CD LYS A 6 1.780 8.875 8.041 1.00 14.54 C ATOM 99 CE LYS A 6 0.744 9.816 7.423 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.062 10.377 8.531 1.00 20.55 N ATOM 0 H LYS A 6 1.636 5.283 4.124 1.00 6.04 H new ATOM 0 HA LYS A 6 2.104 8.175 4.280 1.00 6.12 H new ATOM 0 HB2 LYS A 6 0.897 7.250 6.267 1.00 7.45 H new ATOM 0 HB3 LYS A 6 2.256 6.182 6.552 1.00 7.45 H new ATOM 0 HG2 LYS A 6 3.552 7.826 7.434 1.00 11.12 H new ATOM 0 HG3 LYS A 6 3.004 9.030 6.284 1.00 11.12 H new ATOM 0 HD2 LYS A 6 1.274 8.091 8.604 1.00 14.54 H new ATOM 0 HD3 LYS A 6 2.400 9.426 8.748 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.235 10.613 6.864 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.108 9.278 6.720 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.779 11.024 8.146 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.533 9.604 9.044 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.559 10.897 9.183 1.00 20.55 H new ATOM 114 N THR A 7 4.510 7.897 3.999 1.00 7.41 N ATOM 115 CA THR A 7 5.887 7.766 3.639 1.00 7.48 C ATOM 116 C THR A 7 6.796 7.962 4.804 1.00 8.75 C ATOM 117 O THR A 7 6.396 8.341 5.903 1.00 8.58 O ATOM 118 CB THR A 7 6.329 8.533 2.428 1.00 9.61 C ATOM 119 OG1 THR A 7 6.347 9.950 2.517 1.00 11.78 O ATOM 120 CG2 THR A 7 5.400 8.126 1.271 1.00 9.17 C ATOM 0 H THR A 7 4.164 8.855 3.937 1.00 7.41 H new ATOM 0 HA THR A 7 5.970 6.727 3.319 1.00 7.48 H new ATOM 0 HB THR A 7 7.378 8.270 2.288 1.00 9.61 H new ATOM 0 HG1 THR A 7 6.866 10.222 3.302 1.00 11.78 H new ATOM 0 HG21 THR A 7 5.688 8.663 0.367 1.00 9.17 H new ATOM 0 HG22 THR A 7 5.483 7.053 1.098 1.00 9.17 H new ATOM 0 HG23 THR A 7 4.370 8.373 1.527 1.00 9.17 H new ATOM 128 N LEU A 8 8.079 7.712 4.484 1.00 9.84 N ATOM 129 CA LEU A 8 9.186 7.987 5.346 1.00 14.15 C ATOM 130 C LEU A 8 9.402 9.427 5.661 1.00 17.37 C ATOM 131 O LEU A 8 9.529 9.857 6.806 1.00 17.01 O ATOM 132 CB LEU A 8 10.389 7.529 4.505 1.00 16.63 C ATOM 133 CG LEU A 8 11.797 7.458 5.120 1.00 18.88 C ATOM 134 CD1 LEU A 8 11.885 6.792 6.503 1.00 18.59 C ATOM 135 CD2 LEU A 8 12.913 6.887 4.228 1.00 19.31 C ATOM 0 H LEU A 8 8.355 7.303 3.591 1.00 9.84 H new ATOM 0 HA LEU A 8 9.029 7.499 6.308 1.00 14.15 H new ATOM 0 HB2 LEU A 8 10.155 6.535 4.125 1.00 16.63 H new ATOM 0 HB3 LEU A 8 10.449 8.193 3.643 1.00 16.63 H new ATOM 0 HG LEU A 8 11.984 8.526 5.233 1.00 18.88 H new ATOM 0 HD11 LEU A 8 12.921 6.795 6.843 1.00 18.59 H new ATOM 0 HD12 LEU A 8 11.268 7.344 7.213 1.00 18.59 H new ATOM 0 HD13 LEU A 8 11.528 5.764 6.435 1.00 18.59 H new ATOM 0 HD21 LEU A 8 13.855 6.891 4.777 1.00 19.31 H new ATOM 0 HD22 LEU A 8 12.663 5.865 3.942 1.00 19.31 H new ATOM 0 HD23 LEU A 8 13.012 7.500 3.332 1.00 19.31 H new ATOM 147 N THR A 9 9.494 10.284 4.629 1.00 18.33 N ATOM 148 CA THR A 9 9.788 11.672 4.812 1.00 19.24 C ATOM 149 C THR A 9 8.651 12.523 5.262 1.00 19.48 C ATOM 150 O THR A 9 8.729 13.053 6.369 1.00 23.14 O ATOM 151 CB THR A 9 10.191 12.362 3.543 1.00 18.97 C ATOM 152 OG1 THR A 9 9.550 11.763 2.426 1.00 20.24 O ATOM 153 CG2 THR A 9 11.704 12.205 3.316 1.00 19.70 C ATOM 0 H THR A 9 9.363 10.011 3.655 1.00 18.33 H new ATOM 0 HA THR A 9 10.573 11.604 5.565 1.00 19.24 H new ATOM 0 HB THR A 9 9.910 13.411 3.637 1.00 18.97 H new ATOM 0 HG1 THR A 9 9.822 12.226 1.606 1.00 20.24 H new ATOM 0 HG21 THR A 9 11.988 12.709 2.392 1.00 19.70 H new ATOM 0 HG22 THR A 9 12.245 12.648 4.152 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.953 11.146 3.243 1.00 19.70 H new ATOM 161 N GLY A 10 7.527 12.607 4.528 1.00 19.43 N ATOM 162 CA GLY A 10 6.322 13.194 5.027 1.00 18.74 C ATOM 163 C GLY A 10 5.330 13.436 3.941 1.00 17.62 C ATOM 164 O GLY A 10 4.782 14.531 3.823 1.00 19.74 O ATOM 0 H GLY A 10 7.453 12.261 3.571 1.00 19.43 H new ATOM 0 HA2 GLY A 10 5.884 12.539 5.780 1.00 18.74 H new ATOM 0 HA3 GLY A 10 6.555 14.137 5.522 1.00 18.74 H new ATOM 168 N LYS A 11 4.975 12.414 3.142 1.00 13.56 N ATOM 169 CA LYS A 11 3.811 12.439 2.311 1.00 11.91 C ATOM 170 C LYS A 11 2.825 11.438 2.807 1.00 10.18 C ATOM 171 O LYS A 11 3.174 10.306 3.137 1.00 9.10 O ATOM 172 CB LYS A 11 4.280 12.158 0.874 1.00 13.43 C ATOM 173 CG LYS A 11 5.382 13.138 0.466 1.00 16.69 C ATOM 174 CD LYS A 11 5.566 13.079 -1.051 1.00 17.92 C ATOM 175 CE LYS A 11 4.468 13.837 -1.800 1.00 20.81 C ATOM 176 NZ LYS A 11 4.574 13.934 -3.273 1.00 21.93 N ATOM 0 H LYS A 11 5.510 11.549 3.072 1.00 13.56 H new ATOM 0 HA LYS A 11 3.305 13.404 2.334 1.00 11.91 H new ATOM 0 HB2 LYS A 11 4.650 11.135 0.800 1.00 13.43 H new ATOM 0 HB3 LYS A 11 3.438 12.243 0.188 1.00 13.43 H new ATOM 0 HG2 LYS A 11 5.119 14.150 0.774 1.00 16.69 H new ATOM 0 HG3 LYS A 11 6.316 12.885 0.968 1.00 16.69 H new ATOM 0 HD2 LYS A 11 6.537 13.498 -1.313 1.00 17.92 H new ATOM 0 HD3 LYS A 11 5.570 12.038 -1.374 1.00 17.92 H new ATOM 0 HE2 LYS A 11 3.515 13.364 -1.564 1.00 20.81 H new ATOM 0 HE3 LYS A 11 4.429 14.850 -1.400 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 4.273 14.881 -3.581 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 5.560 13.773 -3.561 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 3.963 13.216 -3.713 1.00 21.93 H new ATOM 190 N THR A 12 1.585 11.961 2.802 1.00 9.63 N ATOM 191 CA THR A 12 0.403 11.191 3.034 1.00 9.85 C ATOM 192 C THR A 12 -0.154 11.062 1.657 1.00 11.66 C ATOM 193 O THR A 12 -0.646 12.036 1.091 1.00 12.33 O ATOM 194 CB THR A 12 -0.640 11.789 3.931 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.134 12.244 5.177 1.00 10.91 O ATOM 196 CG2 THR A 12 -1.874 10.905 4.181 1.00 9.63 C ATOM 0 H THR A 12 1.400 12.949 2.631 1.00 9.63 H new ATOM 0 HA THR A 12 0.664 10.273 3.560 1.00 9.85 H new ATOM 0 HB THR A 12 -0.969 12.649 3.348 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.865 12.622 5.709 1.00 10.91 H new ATOM 0 HG21 THR A 12 -2.568 11.427 4.841 1.00 9.63 H new ATOM 0 HG22 THR A 12 -2.367 10.691 3.232 1.00 9.63 H new ATOM 0 HG23 THR A 12 -1.563 9.970 4.647 1.00 9.63 H new ATOM 204 N ILE A 13 -0.142 9.855 1.064 1.00 10.42 N ATOM 205 CA ILE A 13 -0.596 9.745 -0.288 1.00 11.84 C ATOM 206 C ILE A 13 -1.957 9.172 -0.089 1.00 10.55 C ATOM 207 O ILE A 13 -2.120 8.100 0.491 1.00 11.92 O ATOM 208 CB ILE A 13 0.179 8.816 -1.174 1.00 14.86 C ATOM 209 CG1 ILE A 13 1.652 9.258 -1.214 1.00 14.87 C ATOM 210 CG2 ILE A 13 -0.418 8.713 -2.587 1.00 17.08 C ATOM 211 CD1 ILE A 13 2.563 8.056 -1.462 1.00 16.46 C ATOM 0 H ILE A 13 0.169 8.986 1.499 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.514 10.707 -0.794 1.00 11.84 H new ATOM 0 HB ILE A 13 0.117 7.813 -0.751 1.00 14.86 H new ATOM 0 HG12 ILE A 13 1.795 9.999 -2.001 1.00 14.87 H new ATOM 0 HG13 ILE A 13 1.920 9.737 -0.272 1.00 14.87 H new ATOM 0 HG21 ILE A 13 0.182 8.028 -3.186 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.440 8.340 -2.524 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -0.419 9.698 -3.054 1.00 17.08 H new ATOM 0 HD11 ILE A 13 3.602 8.386 -1.487 1.00 16.46 H new ATOM 0 HD12 ILE A 13 2.433 7.329 -0.660 1.00 16.46 H new ATOM 0 HD13 ILE A 13 2.305 7.595 -2.415 1.00 16.46 H new ATOM 223 N THR A 14 -2.940 9.818 -0.741 1.00 9.39 N ATOM 224 CA THR A 14 -4.320 9.443 -0.768 1.00 9.63 C ATOM 225 C THR A 14 -4.553 8.686 -2.030 1.00 11.20 C ATOM 226 O THR A 14 -4.178 9.189 -3.088 1.00 11.63 O ATOM 227 CB THR A 14 -5.218 10.644 -0.810 1.00 10.38 C ATOM 228 OG1 THR A 14 -4.850 11.638 0.136 1.00 16.30 O ATOM 229 CG2 THR A 14 -6.723 10.412 -0.600 1.00 11.66 C ATOM 0 H THR A 14 -2.757 10.660 -1.287 1.00 9.39 H new ATOM 0 HA THR A 14 -4.540 8.862 0.128 1.00 9.63 H new ATOM 0 HB THR A 14 -5.067 10.957 -1.843 1.00 10.38 H new ATOM 0 HG1 THR A 14 -5.464 12.399 0.067 1.00 16.30 H new ATOM 0 HG21 THR A 14 -7.249 11.365 -0.656 1.00 11.66 H new ATOM 0 HG22 THR A 14 -7.100 9.744 -1.374 1.00 11.66 H new ATOM 0 HG23 THR A 14 -6.889 9.963 0.379 1.00 11.66 H new ATOM 237 N LEU A 15 -5.144 7.478 -2.046 1.00 8.29 N ATOM 238 CA LEU A 15 -5.535 6.855 -3.272 1.00 9.03 C ATOM 239 C LEU A 15 -7.007 6.631 -3.311 1.00 8.59 C ATOM 240 O LEU A 15 -7.684 6.468 -2.297 1.00 7.79 O ATOM 241 CB LEU A 15 -4.708 5.571 -3.451 1.00 11.08 C ATOM 242 CG LEU A 15 -3.194 5.804 -3.593 1.00 15.79 C ATOM 243 CD1 LEU A 15 -2.501 4.445 -3.393 1.00 15.27 C ATOM 244 CD2 LEU A 15 -2.824 6.462 -4.932 1.00 15.88 C ATOM 0 H LEU A 15 -5.351 6.932 -1.209 1.00 8.29 H new ATOM 0 HA LEU A 15 -5.325 7.507 -4.120 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.884 4.918 -2.596 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -5.066 5.043 -4.335 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.853 6.511 -2.837 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -1.422 4.569 -3.487 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.737 4.059 -2.401 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.852 3.743 -4.149 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -1.744 6.604 -4.981 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -3.143 5.820 -5.753 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -3.321 7.429 -5.012 1.00 15.88 H new ATOM 256 N GLU A 16 -7.559 6.486 -4.529 1.00 11.04 N ATOM 257 CA GLU A 16 -8.877 5.963 -4.713 1.00 11.50 C ATOM 258 C GLU A 16 -8.627 4.562 -5.155 1.00 10.13 C ATOM 259 O GLU A 16 -7.938 4.291 -6.137 1.00 9.83 O ATOM 260 CB GLU A 16 -9.673 6.753 -5.765 1.00 17.22 C ATOM 261 CG GLU A 16 -11.176 6.475 -5.710 1.00 23.33 C ATOM 262 CD GLU A 16 -11.904 7.054 -4.505 1.00 26.99 C ATOM 263 OE1 GLU A 16 -12.079 8.301 -4.464 1.00 28.90 O ATOM 264 OE2 GLU A 16 -12.363 6.292 -3.613 1.00 28.86 O ATOM 0 H GLU A 16 -7.085 6.735 -5.397 1.00 11.04 H new ATOM 0 HA GLU A 16 -9.483 6.027 -3.810 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -9.501 7.819 -5.618 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -9.299 6.504 -6.758 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -11.635 6.872 -6.615 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -11.329 5.396 -5.722 1.00 23.33 H new ATOM 271 N VAL A 17 -9.194 3.631 -4.367 1.00 8.99 N ATOM 272 CA VAL A 17 -9.074 2.260 -4.755 1.00 8.85 C ATOM 273 C VAL A 17 -10.372 1.555 -4.557 1.00 8.04 C ATOM 274 O VAL A 17 -11.317 2.101 -3.989 1.00 8.99 O ATOM 275 CB VAL A 17 -8.020 1.539 -3.968 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.685 2.294 -3.861 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.481 1.421 -2.505 1.00 10.54 C ATOM 0 H VAL A 17 -9.710 3.811 -3.506 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.788 2.254 -5.807 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.878 0.594 -4.492 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.979 1.704 -3.277 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.280 2.460 -4.859 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.848 3.254 -3.371 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.721 0.898 -1.925 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.633 2.417 -2.090 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.417 0.864 -2.462 1.00 10.54 H new ATOM 287 N GLU A 18 -10.427 0.263 -4.927 1.00 7.29 N ATOM 288 CA GLU A 18 -11.583 -0.535 -4.660 1.00 7.08 C ATOM 289 C GLU A 18 -11.192 -1.464 -3.563 1.00 6.45 C ATOM 290 O GLU A 18 -10.009 -1.738 -3.367 1.00 5.28 O ATOM 291 CB GLU A 18 -11.976 -1.387 -5.879 1.00 10.28 C ATOM 292 CG GLU A 18 -12.589 -0.447 -6.920 1.00 12.65 C ATOM 293 CD GLU A 18 -13.021 -1.191 -8.175 1.00 14.15 C ATOM 294 OE1 GLU A 18 -13.674 -2.268 -8.140 1.00 18.17 O ATOM 295 OE2 GLU A 18 -12.707 -0.696 -9.290 1.00 14.33 O ATOM 0 H GLU A 18 -9.674 -0.228 -5.409 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.428 0.106 -4.409 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -11.103 -1.895 -6.289 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -12.690 -2.159 -5.593 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -13.449 0.063 -6.486 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -11.864 0.322 -7.186 1.00 12.65 H new ATOM 302 N PRO A 19 -12.022 -2.057 -2.757 1.00 7.24 N ATOM 303 CA PRO A 19 -11.723 -3.126 -1.849 1.00 7.07 C ATOM 304 C PRO A 19 -11.368 -4.364 -2.599 1.00 6.65 C ATOM 305 O PRO A 19 -10.817 -5.321 -2.058 1.00 6.37 O ATOM 306 CB PRO A 19 -12.841 -3.188 -0.811 1.00 7.61 C ATOM 307 CG PRO A 19 -13.986 -2.404 -1.472 1.00 8.16 C ATOM 308 CD PRO A 19 -13.337 -1.483 -2.518 1.00 7.49 C ATOM 0 HA PRO A 19 -10.819 -2.964 -1.262 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.131 -4.216 -0.594 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.538 -2.736 0.133 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.700 -3.081 -1.941 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -14.536 -1.823 -0.732 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.926 -1.449 -3.435 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.261 -0.460 -2.150 1.00 7.49 H new ATOM 316 N SER A 20 -11.655 -4.444 -3.911 1.00 6.80 N ATOM 317 CA SER A 20 -11.429 -5.622 -4.689 1.00 6.28 C ATOM 318 C SER A 20 -10.134 -5.671 -5.425 1.00 8.45 C ATOM 319 O SER A 20 -9.706 -6.658 -6.022 1.00 7.26 O ATOM 320 CB SER A 20 -12.471 -5.778 -5.810 1.00 8.57 C ATOM 321 OG SER A 20 -13.711 -6.181 -5.247 1.00 11.13 O ATOM 0 H SER A 20 -12.054 -3.671 -4.444 1.00 6.80 H new ATOM 0 HA SER A 20 -11.467 -6.399 -3.925 1.00 6.28 H new ATOM 0 HB2 SER A 20 -12.591 -4.836 -6.344 1.00 8.57 H new ATOM 0 HB3 SER A 20 -12.132 -6.516 -6.537 1.00 8.57 H new ATOM 0 HG SER A 20 -14.377 -6.279 -5.959 1.00 11.13 H new ATOM 327 N ASP A 21 -9.326 -4.607 -5.273 1.00 7.50 N ATOM 328 CA ASP A 21 -8.028 -4.472 -5.859 1.00 7.70 C ATOM 329 C ASP A 21 -6.957 -5.231 -5.154 1.00 7.08 C ATOM 330 O ASP A 21 -6.933 -5.466 -3.947 1.00 8.11 O ATOM 331 CB ASP A 21 -7.566 -3.008 -5.954 1.00 11.00 C ATOM 332 CG ASP A 21 -8.505 -2.076 -6.707 1.00 15.32 C ATOM 333 OD1 ASP A 21 -9.289 -2.382 -7.644 1.00 14.36 O ATOM 334 OD2 ASP A 21 -8.341 -0.875 -6.361 1.00 18.03 O ATOM 0 H ASP A 21 -9.592 -3.798 -4.712 1.00 7.50 H new ATOM 0 HA ASP A 21 -8.164 -4.894 -6.855 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.430 -2.621 -4.944 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.590 -2.983 -6.439 1.00 11.00 H new ATOM 339 N THR A 22 -5.985 -5.750 -5.926 1.00 5.37 N ATOM 340 CA THR A 22 -4.813 -6.458 -5.512 1.00 6.01 C ATOM 341 C THR A 22 -3.858 -5.385 -5.118 1.00 8.01 C ATOM 342 O THR A 22 -3.969 -4.232 -5.532 1.00 8.11 O ATOM 343 CB THR A 22 -4.114 -7.265 -6.566 1.00 8.92 C ATOM 344 OG1 THR A 22 -3.827 -6.553 -7.761 1.00 10.22 O ATOM 345 CG2 THR A 22 -5.064 -8.397 -6.994 1.00 9.65 C ATOM 0 H THR A 22 -6.027 -5.664 -6.941 1.00 5.37 H new ATOM 0 HA THR A 22 -5.116 -7.172 -4.746 1.00 6.01 H new ATOM 0 HB THR A 22 -3.173 -7.589 -6.121 1.00 8.92 H new ATOM 0 HG1 THR A 22 -3.519 -7.179 -8.449 1.00 10.22 H new ATOM 0 HG21 THR A 22 -4.584 -9.004 -7.762 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.298 -9.021 -6.132 1.00 9.65 H new ATOM 0 HG23 THR A 22 -5.984 -7.969 -7.392 1.00 9.65 H new ATOM 353 N ILE A 23 -2.991 -5.694 -4.138 1.00 8.32 N ATOM 354 CA ILE A 23 -2.105 -4.736 -3.552 1.00 9.92 C ATOM 355 C ILE A 23 -0.956 -4.447 -4.455 1.00 10.01 C ATOM 356 O ILE A 23 -0.517 -3.304 -4.565 1.00 8.71 O ATOM 357 CB ILE A 23 -1.631 -5.291 -2.242 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.905 -5.663 -1.465 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.798 -4.258 -1.465 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.832 -6.165 -0.023 1.00 12.30 C ATOM 0 H ILE A 23 -2.903 -6.631 -3.743 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.627 -3.792 -3.393 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.981 -6.154 -2.390 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -3.546 -4.782 -1.464 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -3.419 -6.430 -2.044 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.470 -4.692 -0.520 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.073 -3.974 -2.056 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -1.406 -3.375 -1.267 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.838 -6.371 0.342 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.238 -7.078 0.015 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -2.368 -5.404 0.604 1.00 12.30 H new ATOM 372 N GLU A 24 -0.592 -5.410 -5.321 1.00 9.54 N ATOM 373 CA GLU A 24 0.205 -5.200 -6.489 1.00 11.81 C ATOM 374 C GLU A 24 -0.280 -4.114 -7.386 1.00 11.14 C ATOM 375 O GLU A 24 0.569 -3.367 -7.872 1.00 10.62 O ATOM 376 CB GLU A 24 0.572 -6.413 -7.361 1.00 19.24 C ATOM 377 CG GLU A 24 -0.553 -7.253 -7.967 1.00 27.76 C ATOM 378 CD GLU A 24 -0.014 -8.157 -9.067 1.00 32.92 C ATOM 379 OE1 GLU A 24 1.196 -8.506 -9.101 1.00 34.80 O ATOM 380 OE2 GLU A 24 -0.845 -8.525 -9.940 1.00 36.51 O ATOM 0 H GLU A 24 -0.868 -6.384 -5.200 1.00 9.54 H new ATOM 0 HA GLU A 24 1.126 -4.905 -5.986 1.00 11.81 H new ATOM 0 HB2 GLU A 24 1.194 -6.054 -8.181 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.192 -7.077 -6.758 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.022 -7.857 -7.190 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.325 -6.599 -8.372 1.00 27.76 H new ATOM 387 N ASN A 25 -1.607 -3.936 -7.520 1.00 9.43 N ATOM 388 CA ASN A 25 -2.205 -2.885 -8.283 1.00 10.96 C ATOM 389 C ASN A 25 -2.196 -1.564 -7.594 1.00 9.68 C ATOM 390 O ASN A 25 -2.019 -0.567 -8.293 1.00 9.33 O ATOM 391 CB ASN A 25 -3.674 -3.260 -8.543 1.00 16.78 C ATOM 392 CG ASN A 25 -4.388 -2.208 -9.380 1.00 22.31 C ATOM 393 OD1 ASN A 25 -5.009 -1.301 -8.827 1.00 25.66 O ATOM 394 ND2 ASN A 25 -4.532 -2.295 -10.729 1.00 24.70 N ATOM 0 H ASN A 25 -2.291 -4.550 -7.078 1.00 9.43 H new ATOM 0 HA ASN A 25 -1.619 -2.783 -9.196 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.718 -4.222 -9.054 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.192 -3.380 -7.592 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -5.128 -1.630 -11.222 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -4.044 -3.025 -11.248 1.00 24.70 H new ATOM 401 N VAL A 26 -2.441 -1.467 -6.275 1.00 6.52 N ATOM 402 CA VAL A 26 -2.398 -0.269 -5.497 1.00 5.53 C ATOM 403 C VAL A 26 -1.046 0.347 -5.608 1.00 4.42 C ATOM 404 O VAL A 26 -0.900 1.558 -5.770 1.00 3.40 O ATOM 405 CB VAL A 26 -2.577 -0.482 -4.023 1.00 3.86 C ATOM 406 CG1 VAL A 26 -2.508 0.818 -3.203 1.00 7.25 C ATOM 407 CG2 VAL A 26 -4.005 -1.025 -3.847 1.00 8.12 C ATOM 0 H VAL A 26 -2.686 -2.283 -5.715 1.00 6.52 H new ATOM 0 HA VAL A 26 -3.213 0.340 -5.888 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.782 -1.141 -3.674 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.645 0.589 -2.146 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -1.536 1.289 -3.349 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -3.294 1.498 -3.532 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -4.199 -1.202 -2.789 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.721 -0.298 -4.231 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -4.109 -1.961 -4.396 1.00 8.12 H new ATOM 417 N LYS A 27 0.010 -0.486 -5.590 1.00 2.64 N ATOM 418 CA LYS A 27 1.371 -0.071 -5.727 1.00 4.14 C ATOM 419 C LYS A 27 1.715 0.325 -7.121 1.00 5.58 C ATOM 420 O LYS A 27 2.604 1.154 -7.306 1.00 4.11 O ATOM 421 CB LYS A 27 2.354 -1.184 -5.326 1.00 3.97 C ATOM 422 CG LYS A 27 2.118 -1.521 -3.852 1.00 7.45 C ATOM 423 CD LYS A 27 3.187 -2.508 -3.377 1.00 9.02 C ATOM 424 CE LYS A 27 3.217 -3.882 -4.049 1.00 12.90 C ATOM 425 NZ LYS A 27 4.262 -4.704 -3.398 1.00 15.47 N ATOM 0 H LYS A 27 -0.090 -1.495 -5.475 1.00 2.64 H new ATOM 0 HA LYS A 27 1.465 0.788 -5.062 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.203 -2.067 -5.947 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.382 -0.857 -5.482 1.00 3.97 H new ATOM 0 HG2 LYS A 27 2.153 -0.613 -3.250 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.126 -1.952 -3.721 1.00 7.45 H new ATOM 0 HD2 LYS A 27 4.163 -2.042 -3.516 1.00 9.02 H new ATOM 0 HD3 LYS A 27 3.056 -2.659 -2.305 1.00 9.02 H new ATOM 0 HE2 LYS A 27 2.245 -4.367 -3.961 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.426 -3.778 -5.114 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.605 -5.422 -4.067 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 5.053 -4.094 -3.108 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 3.863 -5.174 -2.561 1.00 15.47 H new ATOM 439 N ALA A 28 1.160 -0.336 -8.153 1.00 6.61 N ATOM 440 CA ALA A 28 1.358 0.173 -9.474 1.00 7.74 C ATOM 441 C ALA A 28 0.729 1.504 -9.702 1.00 9.17 C ATOM 442 O ALA A 28 1.279 2.393 -10.351 1.00 11.45 O ATOM 443 CB ALA A 28 0.917 -0.881 -10.503 1.00 7.68 C ATOM 0 H ALA A 28 0.599 -1.185 -8.082 1.00 6.61 H new ATOM 0 HA ALA A 28 2.424 0.359 -9.602 1.00 7.74 H new ATOM 0 HB1 ALA A 28 1.068 -0.492 -11.510 1.00 7.68 H new ATOM 0 HB2 ALA A 28 1.508 -1.787 -10.372 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.138 -1.112 -10.358 1.00 7.68 H new ATOM 449 N LYS A 29 -0.449 1.802 -9.126 1.00 8.96 N ATOM 450 CA LYS A 29 -1.036 3.089 -8.911 1.00 7.90 C ATOM 451 C LYS A 29 -0.071 4.049 -8.306 1.00 6.92 C ATOM 452 O LYS A 29 -0.087 5.202 -8.735 1.00 6.87 O ATOM 453 CB LYS A 29 -2.450 3.044 -8.309 1.00 10.28 C ATOM 454 CG LYS A 29 -3.229 4.347 -8.114 1.00 14.94 C ATOM 455 CD LYS A 29 -4.666 4.037 -7.691 1.00 19.69 C ATOM 456 CE LYS A 29 -5.679 3.653 -8.771 1.00 22.63 C ATOM 457 NZ LYS A 29 -6.907 3.073 -8.183 1.00 24.98 N ATOM 0 H LYS A 29 -1.053 1.059 -8.774 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.245 3.519 -9.890 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -3.054 2.394 -8.942 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -2.375 2.560 -7.335 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.742 4.962 -7.357 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -3.229 4.923 -9.040 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -4.630 3.224 -6.966 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -5.054 4.912 -7.169 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -5.937 4.534 -9.359 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -5.228 2.934 -9.455 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -7.727 3.330 -8.769 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -6.819 2.037 -8.146 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -7.040 3.444 -7.220 1.00 24.98 H new ATOM 471 N ILE A 30 0.778 3.653 -7.340 1.00 4.57 N ATOM 472 CA ILE A 30 1.745 4.541 -6.773 1.00 5.58 C ATOM 473 C ILE A 30 2.885 4.767 -7.706 1.00 7.26 C ATOM 474 O ILE A 30 3.431 5.869 -7.685 1.00 9.46 O ATOM 475 CB ILE A 30 2.193 4.123 -5.404 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.022 3.891 -4.435 1.00 2.94 C ATOM 477 CG2 ILE A 30 3.175 5.138 -4.795 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.359 3.171 -3.130 1.00 2.00 C ATOM 0 H ILE A 30 0.794 2.711 -6.950 1.00 4.57 H new ATOM 0 HA ILE A 30 1.248 5.501 -6.632 1.00 5.58 H new ATOM 0 HB ILE A 30 2.703 3.170 -5.541 1.00 5.36 H new ATOM 0 HG12 ILE A 30 0.584 4.858 -4.189 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.255 3.317 -4.955 1.00 2.94 H new ATOM 0 HG21 ILE A 30 3.478 4.802 -3.803 1.00 2.78 H new ATOM 0 HG22 ILE A 30 4.054 5.222 -5.434 1.00 2.78 H new ATOM 0 HG23 ILE A 30 2.690 6.111 -4.716 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.456 3.065 -2.529 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.764 2.184 -3.353 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.098 3.750 -2.575 1.00 2.00 H new ATOM 490 N GLN A 31 3.297 3.739 -8.469 1.00 7.06 N ATOM 491 CA GLN A 31 4.125 3.985 -9.609 1.00 8.67 C ATOM 492 C GLN A 31 3.613 5.049 -10.517 1.00 10.90 C ATOM 493 O GLN A 31 4.384 5.983 -10.729 1.00 9.63 O ATOM 494 CB GLN A 31 4.501 2.708 -10.378 1.00 9.12 C ATOM 495 CG GLN A 31 5.522 2.995 -11.481 1.00 10.76 C ATOM 496 CD GLN A 31 6.013 1.714 -12.140 1.00 13.78 C ATOM 497 OE1 GLN A 31 7.204 1.420 -12.045 1.00 14.48 O ATOM 498 NE2 GLN A 31 5.133 1.010 -12.902 1.00 14.76 N ATOM 0 H GLN A 31 3.064 2.760 -8.303 1.00 7.06 H new ATOM 0 HA GLN A 31 5.048 4.378 -9.183 1.00 8.67 H new ATOM 0 HB2 GLN A 31 4.910 1.972 -9.685 1.00 9.12 H new ATOM 0 HB3 GLN A 31 3.605 2.269 -10.816 1.00 9.12 H new ATOM 0 HG2 GLN A 31 5.072 3.642 -12.234 1.00 10.76 H new ATOM 0 HG3 GLN A 31 6.370 3.536 -11.061 1.00 10.76 H new ATOM 0 HE21 GLN A 31 4.155 1.296 -12.947 1.00 14.76 H new ATOM 0 HE22 GLN A 31 5.451 0.196 -13.429 1.00 14.76 H new ATOM 507 N ASP A 32 2.330 5.065 -10.922 1.00 10.93 N ATOM 508 CA ASP A 32 1.754 6.077 -11.752 1.00 14.01 C ATOM 509 C ASP A 32 1.744 7.433 -11.134 1.00 14.04 C ATOM 510 O ASP A 32 1.939 8.397 -11.872 1.00 13.39 O ATOM 511 CB ASP A 32 0.367 5.541 -12.148 1.00 18.01 C ATOM 512 CG ASP A 32 0.063 6.203 -13.484 1.00 24.33 C ATOM 513 OD1 ASP A 32 0.574 5.710 -14.525 1.00 26.29 O ATOM 514 OD2 ASP A 32 -0.718 7.191 -13.452 1.00 25.17 O ATOM 0 H ASP A 32 1.664 4.339 -10.658 1.00 10.93 H new ATOM 0 HA ASP A 32 2.362 6.253 -12.640 1.00 14.01 H new ATOM 0 HB2 ASP A 32 0.373 4.455 -12.237 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -0.384 5.795 -11.400 1.00 18.01 H new ATOM 519 N LYS A 33 1.493 7.619 -9.825 1.00 14.22 N ATOM 520 CA LYS A 33 1.407 8.803 -9.029 1.00 14.00 C ATOM 521 C LYS A 33 2.763 9.383 -8.820 1.00 12.37 C ATOM 522 O LYS A 33 3.085 10.516 -9.176 1.00 12.17 O ATOM 523 CB LYS A 33 0.782 8.436 -7.672 1.00 18.62 C ATOM 524 CG LYS A 33 0.449 9.629 -6.774 1.00 24.00 C ATOM 525 CD LYS A 33 -0.630 10.565 -7.323 1.00 27.61 C ATOM 526 CE LYS A 33 -1.311 11.534 -6.355 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.312 12.591 -6.085 1.00 30.06 N ATOM 0 H LYS A 33 1.325 6.802 -9.239 1.00 14.22 H new ATOM 0 HA LYS A 33 0.790 9.544 -9.538 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -0.131 7.868 -7.850 1.00 18.62 H new ATOM 0 HB3 LYS A 33 1.468 7.778 -7.138 1.00 18.62 H new ATOM 0 HG2 LYS A 33 0.126 9.255 -5.802 1.00 24.00 H new ATOM 0 HG3 LYS A 33 1.359 10.205 -6.607 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -0.183 11.154 -8.124 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.406 9.948 -7.776 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -2.217 11.953 -6.792 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.605 11.028 -5.435 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.714 13.289 -5.427 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.537 12.166 -5.662 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.056 13.062 -6.976 1.00 30.06 H new ATOM 541 N GLU A 34 3.612 8.659 -8.068 1.00 10.11 N ATOM 542 CA GLU A 34 4.835 9.190 -7.551 1.00 10.07 C ATOM 543 C GLU A 34 5.982 8.806 -8.422 1.00 9.32 C ATOM 544 O GLU A 34 6.538 9.607 -9.172 1.00 11.61 O ATOM 545 CB GLU A 34 5.117 8.802 -6.090 1.00 14.77 C ATOM 546 CG GLU A 34 4.214 9.541 -5.100 1.00 18.75 C ATOM 547 CD GLU A 34 4.554 11.012 -4.904 1.00 22.28 C ATOM 548 OE1 GLU A 34 5.671 11.437 -5.304 1.00 21.95 O ATOM 549 OE2 GLU A 34 3.636 11.777 -4.505 1.00 25.19 O ATOM 0 H GLU A 34 3.445 7.685 -7.814 1.00 10.11 H new ATOM 0 HA GLU A 34 4.715 10.273 -7.556 1.00 10.07 H new ATOM 0 HB2 GLU A 34 4.978 7.728 -5.970 1.00 14.77 H new ATOM 0 HB3 GLU A 34 6.160 9.017 -5.856 1.00 14.77 H new ATOM 0 HG2 GLU A 34 3.182 9.463 -5.443 1.00 18.75 H new ATOM 0 HG3 GLU A 34 4.268 9.038 -4.135 1.00 18.75 H new ATOM 556 N GLY A 35 6.336 7.512 -8.331 1.00 7.22 N ATOM 557 CA GLY A 35 7.249 6.815 -9.182 1.00 6.29 C ATOM 558 C GLY A 35 8.229 5.882 -8.558 1.00 6.93 C ATOM 559 O GLY A 35 9.430 6.144 -8.584 1.00 7.41 O ATOM 0 H GLY A 35 5.953 6.907 -7.605 1.00 7.22 H new ATOM 0 HA2 GLY A 35 6.662 6.246 -9.903 1.00 6.29 H new ATOM 0 HA3 GLY A 35 7.812 7.559 -9.745 1.00 6.29 H new ATOM 563 N ILE A 36 7.732 4.797 -7.937 1.00 5.86 N ATOM 564 CA ILE A 36 8.415 3.881 -7.077 1.00 6.07 C ATOM 565 C ILE A 36 8.001 2.537 -7.570 1.00 6.36 C ATOM 566 O ILE A 36 6.786 2.365 -7.662 1.00 6.18 O ATOM 567 CB ILE A 36 8.158 4.087 -5.614 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.087 5.545 -5.130 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.283 3.272 -4.954 1.00 7.36 C ATOM 570 CD1 ILE A 36 7.683 5.734 -3.669 1.00 9.49 C ATOM 0 H ILE A 36 6.752 4.538 -8.051 1.00 5.86 H new ATOM 0 HA ILE A 36 9.494 4.025 -7.128 1.00 6.07 H new ATOM 0 HB ILE A 36 7.155 3.758 -5.343 1.00 7.47 H new ATOM 0 HG12 ILE A 36 9.062 6.008 -5.282 1.00 8.52 H new ATOM 0 HG13 ILE A 36 7.377 6.084 -5.758 1.00 8.52 H new ATOM 0 HG21 ILE A 36 9.199 3.347 -3.870 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.199 2.227 -5.253 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.250 3.663 -5.271 1.00 7.36 H new ATOM 0 HD11 ILE A 36 7.664 6.798 -3.431 1.00 9.49 H new ATOM 0 HD12 ILE A 36 6.693 5.308 -3.507 1.00 9.49 H new ATOM 0 HD13 ILE A 36 8.404 5.231 -3.024 1.00 9.49 H new ATOM 582 N PRO A 37 8.824 1.671 -8.082 1.00 8.65 N ATOM 583 CA PRO A 37 8.313 0.471 -8.680 1.00 9.18 C ATOM 584 C PRO A 37 7.475 -0.391 -7.801 1.00 9.85 C ATOM 585 O PRO A 37 7.727 -0.402 -6.597 1.00 8.51 O ATOM 586 CB PRO A 37 9.585 -0.226 -9.159 1.00 11.42 C ATOM 587 CG PRO A 37 10.614 0.873 -9.467 1.00 9.27 C ATOM 588 CD PRO A 37 10.143 2.034 -8.576 1.00 8.33 C ATOM 0 HA PRO A 37 7.598 0.698 -9.471 1.00 9.18 H new ATOM 0 HB2 PRO A 37 9.963 -0.905 -8.395 1.00 11.42 H new ATOM 0 HB3 PRO A 37 9.385 -0.826 -10.047 1.00 11.42 H new ATOM 0 HG2 PRO A 37 11.628 0.559 -9.221 1.00 9.27 H new ATOM 0 HG3 PRO A 37 10.612 1.146 -10.522 1.00 9.27 H new ATOM 0 HD2 PRO A 37 10.836 2.194 -7.750 1.00 8.33 H new ATOM 0 HD3 PRO A 37 10.102 2.965 -9.142 1.00 8.33 H new ATOM 596 N PRO A 38 6.590 -1.240 -8.233 1.00 8.71 N ATOM 597 CA PRO A 38 5.701 -1.933 -7.346 1.00 9.08 C ATOM 598 C PRO A 38 6.359 -3.081 -6.661 1.00 9.28 C ATOM 599 O PRO A 38 5.856 -3.558 -5.645 1.00 6.50 O ATOM 600 CB PRO A 38 4.622 -2.404 -8.319 1.00 10.31 C ATOM 601 CG PRO A 38 5.237 -2.518 -9.723 1.00 10.81 C ATOM 602 CD PRO A 38 6.275 -1.387 -9.646 1.00 12.00 C ATOM 0 HA PRO A 38 5.334 -1.318 -6.524 1.00 9.08 H new ATOM 0 HB2 PRO A 38 4.223 -3.368 -8.002 1.00 10.31 H new ATOM 0 HB3 PRO A 38 3.789 -1.701 -8.328 1.00 10.31 H new ATOM 0 HG2 PRO A 38 5.693 -3.492 -9.901 1.00 10.81 H new ATOM 0 HG3 PRO A 38 4.504 -2.359 -10.514 1.00 10.81 H new ATOM 0 HD2 PRO A 38 7.167 -1.633 -10.223 1.00 12.00 H new ATOM 0 HD3 PRO A 38 5.876 -0.460 -10.057 1.00 12.00 H new ATOM 610 N ASP A 39 7.528 -3.498 -7.179 1.00 11.20 N ATOM 611 CA ASP A 39 8.307 -4.523 -6.557 1.00 14.96 C ATOM 612 C ASP A 39 9.001 -3.998 -5.347 1.00 13.99 C ATOM 613 O ASP A 39 8.992 -4.608 -4.279 1.00 13.75 O ATOM 614 CB ASP A 39 9.331 -5.081 -7.559 1.00 24.16 C ATOM 615 CG ASP A 39 10.087 -4.074 -8.415 1.00 31.06 C ATOM 616 OD1 ASP A 39 9.453 -3.283 -9.163 1.00 34.22 O ATOM 617 OD2 ASP A 39 11.339 -4.108 -8.280 1.00 35.55 O ATOM 0 H ASP A 39 7.936 -3.122 -8.035 1.00 11.20 H new ATOM 0 HA ASP A 39 7.640 -5.326 -6.244 1.00 14.96 H new ATOM 0 HB2 ASP A 39 10.062 -5.668 -7.003 1.00 24.16 H new ATOM 0 HB3 ASP A 39 8.811 -5.768 -8.226 1.00 24.16 H new ATOM 622 N GLN A 40 9.568 -2.780 -5.425 1.00 11.60 N ATOM 623 CA GLN A 40 10.371 -1.997 -4.538 1.00 10.76 C ATOM 624 C GLN A 40 9.596 -1.536 -3.352 1.00 8.01 C ATOM 625 O GLN A 40 10.078 -1.172 -2.280 1.00 8.96 O ATOM 626 CB GLN A 40 10.940 -0.772 -5.273 1.00 11.14 C ATOM 627 CG GLN A 40 12.074 -0.025 -4.568 1.00 14.85 C ATOM 628 CD GLN A 40 12.648 1.009 -5.526 1.00 16.11 C ATOM 629 OE1 GLN A 40 12.155 2.136 -5.565 1.00 20.52 O ATOM 630 NE2 GLN A 40 13.737 0.677 -6.270 1.00 18.16 N ATOM 0 H GLN A 40 9.428 -2.250 -6.285 1.00 11.60 H new ATOM 0 HA GLN A 40 11.184 -2.635 -4.193 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.299 -1.095 -6.250 1.00 11.14 H new ATOM 0 HB3 GLN A 40 10.125 -0.070 -5.449 1.00 11.14 H new ATOM 0 HG2 GLN A 40 11.703 0.461 -3.666 1.00 14.85 H new ATOM 0 HG3 GLN A 40 12.851 -0.724 -4.257 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.123 -0.266 -6.216 1.00 18.16 H new ATOM 0 HE22 GLN A 40 14.168 1.371 -6.882 1.00 18.16 H new ATOM 639 N GLN A 41 8.271 -1.414 -3.544 1.00 6.52 N ATOM 640 CA GLN A 41 7.468 -1.012 -2.431 1.00 3.87 C ATOM 641 C GLN A 41 7.067 -2.202 -1.629 1.00 4.79 C ATOM 642 O GLN A 41 6.577 -3.187 -2.178 1.00 6.34 O ATOM 643 CB GLN A 41 6.197 -0.337 -2.974 1.00 4.20 C ATOM 644 CG GLN A 41 6.424 0.940 -3.786 1.00 3.20 C ATOM 645 CD GLN A 41 5.118 1.412 -4.409 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.237 1.691 -3.598 1.00 5.21 O ATOM 647 NE2 GLN A 41 4.940 1.547 -5.750 1.00 7.13 N ATOM 0 H GLN A 41 7.775 -1.583 -4.419 1.00 6.52 H new ATOM 0 HA GLN A 41 8.037 -0.329 -1.799 1.00 3.87 H new ATOM 0 HB2 GLN A 41 5.665 -1.054 -3.599 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.545 -0.101 -2.133 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.830 1.720 -3.142 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.161 0.755 -4.567 1.00 3.20 H new ATOM 0 HE21 GLN A 41 5.695 1.305 -6.392 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.051 1.890 -6.115 1.00 7.13 H new ATOM 656 N ARG A 42 7.163 -2.101 -0.291 1.00 5.73 N ATOM 657 CA ARG A 42 6.554 -3.054 0.584 1.00 6.97 C ATOM 658 C ARG A 42 5.622 -2.267 1.440 1.00 7.15 C ATOM 659 O ARG A 42 6.013 -1.423 2.244 1.00 7.33 O ATOM 660 CB ARG A 42 7.630 -3.743 1.440 1.00 13.23 C ATOM 661 CG ARG A 42 7.146 -4.548 2.648 1.00 21.27 C ATOM 662 CD ARG A 42 8.209 -5.344 3.408 1.00 26.14 C ATOM 663 NE ARG A 42 7.574 -5.984 4.594 1.00 32.26 N ATOM 664 CZ ARG A 42 8.270 -6.390 5.696 1.00 34.32 C ATOM 665 NH1 ARG A 42 9.627 -6.337 5.825 1.00 35.30 N ATOM 666 NH2 ARG A 42 7.444 -6.898 6.657 1.00 36.39 N ATOM 0 H ARG A 42 7.666 -1.354 0.187 1.00 5.73 H new ATOM 0 HA ARG A 42 6.029 -3.838 0.039 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.200 -4.411 0.794 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.320 -2.978 1.797 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.670 -3.861 3.347 1.00 21.27 H new ATOM 0 HG3 ARG A 42 6.377 -5.242 2.309 1.00 21.27 H new ATOM 0 HD2 ARG A 42 8.648 -6.103 2.760 1.00 26.14 H new ATOM 0 HD3 ARG A 42 9.019 -4.686 3.723 1.00 26.14 H new ATOM 0 HE ARG A 42 6.564 -6.127 4.582 1.00 32.26 H new ATOM 0 HH11 ARG A 42 10.198 -5.973 5.062 1.00 35.30 H new ATOM 0 HH12 ARG A 42 10.071 -6.661 6.684 1.00 35.30 H new ATOM 0 HH21 ARG A 42 6.437 -6.936 6.496 1.00 36.39 H new ATOM 0 HH22 ARG A 42 7.833 -7.240 7.536 1.00 36.39 H new ATOM 680 N LEU A 43 4.307 -2.545 1.393 1.00 4.65 N ATOM 681 CA LEU A 43 3.229 -1.970 2.136 1.00 3.51 C ATOM 682 C LEU A 43 2.924 -2.753 3.367 1.00 5.56 C ATOM 683 O LEU A 43 2.734 -3.968 3.374 1.00 4.19 O ATOM 684 CB LEU A 43 1.913 -1.875 1.346 1.00 3.74 C ATOM 685 CG LEU A 43 2.055 -0.748 0.310 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.795 -0.645 -0.567 1.00 6.41 C ATOM 687 CD2 LEU A 43 2.409 0.600 0.960 1.00 9.55 C ATOM 0 H LEU A 43 3.962 -3.261 0.754 1.00 4.65 H new ATOM 0 HA LEU A 43 3.584 -0.968 2.376 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.698 -2.822 0.851 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.080 -1.670 2.018 1.00 3.74 H new ATOM 0 HG LEU A 43 2.893 -1.007 -0.338 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.921 0.160 -1.292 1.00 6.41 H new ATOM 0 HD12 LEU A 43 0.640 -1.587 -1.094 1.00 6.41 H new ATOM 0 HD13 LEU A 43 -0.070 -0.435 0.062 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.498 1.364 0.188 1.00 9.55 H new ATOM 0 HD22 LEU A 43 1.624 0.883 1.661 1.00 9.55 H new ATOM 0 HD23 LEU A 43 3.356 0.510 1.492 1.00 9.55 H new ATOM 699 N ILE A 44 3.008 -2.139 4.560 1.00 4.58 N ATOM 700 CA ILE A 44 2.620 -2.750 5.793 1.00 5.55 C ATOM 701 C ILE A 44 1.373 -2.076 6.254 1.00 5.46 C ATOM 702 O ILE A 44 1.377 -0.846 6.272 1.00 6.04 O ATOM 703 CB ILE A 44 3.652 -2.620 6.874 1.00 6.80 C ATOM 704 CG1 ILE A 44 5.040 -2.962 6.306 1.00 10.31 C ATOM 705 CG2 ILE A 44 3.304 -3.392 8.158 1.00 7.39 C ATOM 706 CD1 ILE A 44 6.308 -2.767 7.135 1.00 13.90 C ATOM 0 H ILE A 44 3.357 -1.187 4.670 1.00 4.58 H new ATOM 0 HA ILE A 44 2.485 -3.816 5.608 1.00 5.55 H new ATOM 0 HB ILE A 44 3.667 -1.580 7.201 1.00 6.80 H new ATOM 0 HG12 ILE A 44 5.012 -4.011 6.010 1.00 10.31 H new ATOM 0 HG13 ILE A 44 5.163 -2.377 5.395 1.00 10.31 H new ATOM 0 HG21 ILE A 44 4.096 -3.251 8.893 1.00 7.39 H new ATOM 0 HG22 ILE A 44 2.363 -3.020 8.562 1.00 7.39 H new ATOM 0 HG23 ILE A 44 3.206 -4.453 7.929 1.00 7.39 H new ATOM 0 HD11 ILE A 44 7.176 -3.068 6.548 1.00 13.90 H new ATOM 0 HD12 ILE A 44 6.404 -1.717 7.412 1.00 13.90 H new ATOM 0 HD13 ILE A 44 6.250 -3.377 8.037 1.00 13.90 H new ATOM 718 N PHE A 45 0.292 -2.734 6.708 1.00 6.75 N ATOM 719 CA PHE A 45 -0.754 -2.099 7.449 1.00 4.70 C ATOM 720 C PHE A 45 -0.328 -2.265 8.867 1.00 6.34 C ATOM 721 O PHE A 45 0.083 -1.245 9.417 1.00 5.45 O ATOM 722 CB PHE A 45 -2.125 -2.753 7.211 1.00 5.51 C ATOM 723 CG PHE A 45 -3.166 -2.028 7.993 1.00 5.98 C ATOM 724 CD1 PHE A 45 -3.400 -0.674 7.963 1.00 6.86 C ATOM 725 CD2 PHE A 45 -4.011 -2.816 8.738 1.00 5.87 C ATOM 726 CE1 PHE A 45 -4.320 -0.142 8.836 1.00 6.68 C ATOM 727 CE2 PHE A 45 -5.001 -2.314 9.549 1.00 6.64 C ATOM 728 CZ PHE A 45 -5.223 -0.959 9.475 1.00 6.84 C ATOM 0 H PHE A 45 0.141 -3.731 6.557 1.00 6.75 H new ATOM 0 HA PHE A 45 -0.887 -1.058 7.153 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.371 -2.730 6.149 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -2.096 -3.801 7.509 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -2.871 -0.040 7.267 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -3.890 -3.888 8.683 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -4.333 0.922 9.021 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -5.573 -2.949 10.209 1.00 6.64 H new ATOM 0 HZ PHE A 45 -6.110 -0.534 9.921 1.00 6.84 H new ATOM 738 N ALA A 46 -0.409 -3.472 9.454 1.00 6.53 N ATOM 739 CA ALA A 46 -0.173 -3.691 10.847 1.00 7.15 C ATOM 740 C ALA A 46 0.746 -4.859 10.958 1.00 9.00 C ATOM 741 O ALA A 46 1.791 -4.986 10.321 1.00 11.15 O ATOM 742 CB ALA A 46 -1.502 -4.032 11.543 1.00 8.99 C ATOM 0 H ALA A 46 -0.646 -4.322 8.943 1.00 6.53 H new ATOM 0 HA ALA A 46 0.256 -2.804 11.313 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -1.324 -4.199 12.605 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -2.201 -3.205 11.418 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -1.924 -4.934 11.099 1.00 8.99 H new ATOM 748 N GLY A 47 0.442 -5.691 11.970 1.00 9.35 N ATOM 749 CA GLY A 47 1.282 -6.813 12.253 1.00 11.68 C ATOM 750 C GLY A 47 1.457 -7.945 11.301 1.00 11.14 C ATOM 751 O GLY A 47 2.502 -8.593 11.248 1.00 13.93 O ATOM 0 H GLY A 47 -0.368 -5.591 12.581 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.277 -6.415 12.450 1.00 11.68 H new ATOM 0 HA3 GLY A 47 0.921 -7.244 13.187 1.00 11.68 H new ATOM 755 N LYS A 48 0.535 -8.236 10.366 1.00 10.47 N ATOM 756 CA LYS A 48 0.733 -9.243 9.370 1.00 8.82 C ATOM 757 C LYS A 48 1.617 -8.924 8.214 1.00 7.68 C ATOM 758 O LYS A 48 2.021 -7.793 7.948 1.00 6.47 O ATOM 759 CB LYS A 48 -0.604 -9.647 8.727 1.00 9.74 C ATOM 760 CG LYS A 48 -1.553 -10.429 9.637 1.00 14.14 C ATOM 761 CD LYS A 48 -2.972 -10.507 9.071 1.00 16.32 C ATOM 762 CE LYS A 48 -3.930 -11.302 9.961 1.00 20.04 C ATOM 763 NZ LYS A 48 -3.714 -12.760 9.829 1.00 23.92 N ATOM 0 H LYS A 48 -0.366 -7.762 10.300 1.00 10.47 H new ATOM 0 HA LYS A 48 1.223 -10.018 9.959 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -1.113 -8.745 8.387 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -0.396 -10.249 7.842 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -1.166 -11.438 9.780 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -1.582 -9.957 10.619 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -3.361 -9.497 8.940 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -2.938 -10.966 8.083 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -3.792 -11.006 11.001 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -4.959 -11.061 9.695 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -4.380 -13.267 10.446 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -3.870 -13.046 8.841 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -2.739 -12.993 10.107 1.00 23.92 H new ATOM 777 N GLN A 49 2.054 -9.991 7.520 1.00 8.89 N ATOM 778 CA GLN A 49 2.679 -9.808 6.247 1.00 7.18 C ATOM 779 C GLN A 49 1.678 -9.716 5.147 1.00 8.23 C ATOM 780 O GLN A 49 0.740 -10.509 5.102 1.00 9.70 O ATOM 781 CB GLN A 49 3.453 -11.062 5.810 1.00 11.67 C ATOM 782 CG GLN A 49 4.542 -11.466 6.806 1.00 15.82 C ATOM 783 CD GLN A 49 5.675 -10.455 6.700 1.00 20.21 C ATOM 784 OE1 GLN A 49 6.238 -10.387 5.609 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.080 -9.759 7.796 1.00 20.67 N ATOM 0 H GLN A 49 1.977 -10.959 7.831 1.00 8.89 H new ATOM 0 HA GLN A 49 3.291 -8.916 6.381 1.00 7.18 H new ATOM 0 HB2 GLN A 49 2.754 -11.890 5.687 1.00 11.67 H new ATOM 0 HB3 GLN A 49 3.907 -10.881 4.836 1.00 11.67 H new ATOM 0 HG2 GLN A 49 4.143 -11.486 7.820 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.905 -12.470 6.587 1.00 15.82 H new ATOM 0 HE21 GLN A 49 5.574 -9.855 8.676 1.00 20.67 H new ATOM 0 HE22 GLN A 49 6.890 -9.141 7.737 1.00 20.67 H new ATOM 794 N LEU A 50 1.815 -8.740 4.231 1.00 6.51 N ATOM 795 CA LEU A 50 0.907 -8.655 3.129 1.00 7.41 C ATOM 796 C LEU A 50 1.445 -9.382 1.945 1.00 8.27 C ATOM 797 O LEU A 50 2.556 -9.125 1.484 1.00 8.34 O ATOM 798 CB LEU A 50 0.667 -7.214 2.647 1.00 7.13 C ATOM 799 CG LEU A 50 -0.235 -6.330 3.525 1.00 7.53 C ATOM 800 CD1 LEU A 50 -0.209 -4.882 3.007 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.682 -6.786 3.780 1.00 8.14 C ATOM 0 H LEU A 50 2.540 -8.022 4.251 1.00 6.51 H new ATOM 0 HA LEU A 50 -0.022 -9.086 3.502 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.635 -6.722 2.551 1.00 7.13 H new ATOM 0 HB3 LEU A 50 0.232 -7.258 1.649 1.00 7.13 H new ATOM 0 HG LEU A 50 0.214 -6.424 4.514 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -0.850 -4.260 3.632 1.00 9.11 H new ATOM 0 HD12 LEU A 50 0.812 -4.501 3.042 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -0.571 -4.857 1.979 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -2.186 -6.058 4.415 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.211 -6.867 2.830 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -1.676 -7.757 4.276 1.00 8.14 H new ATOM 813 N GLU A 51 0.606 -10.215 1.303 1.00 9.43 N ATOM 814 CA GLU A 51 0.817 -10.840 0.034 1.00 11.90 C ATOM 815 C GLU A 51 0.208 -9.970 -1.012 1.00 11.49 C ATOM 816 O GLU A 51 -0.935 -9.527 -0.913 1.00 9.88 O ATOM 817 CB GLU A 51 0.348 -12.303 -0.019 1.00 16.56 C ATOM 818 CG GLU A 51 0.476 -12.997 -1.377 1.00 26.06 C ATOM 819 CD GLU A 51 0.071 -14.461 -1.294 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.341 -15.147 -0.272 1.00 33.44 O ATOM 821 OE2 GLU A 51 -0.655 -14.931 -2.210 1.00 32.13 O ATOM 0 H GLU A 51 -0.295 -10.471 1.707 1.00 9.43 H new ATOM 0 HA GLU A 51 1.887 -10.926 -0.154 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.918 -12.874 0.714 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -0.697 -12.341 0.290 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.150 -12.486 -2.109 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.505 -12.922 -1.730 1.00 26.06 H new ATOM 828 N ASP A 52 1.018 -9.532 -1.992 1.00 12.71 N ATOM 829 CA ASP A 52 0.714 -8.523 -2.958 1.00 16.56 C ATOM 830 C ASP A 52 -0.338 -8.915 -3.939 1.00 15.83 C ATOM 831 O ASP A 52 -1.018 -8.083 -4.537 1.00 17.21 O ATOM 832 CB ASP A 52 2.004 -7.970 -3.586 1.00 21.05 C ATOM 833 CG ASP A 52 3.175 -7.657 -2.665 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.104 -6.596 -1.988 1.00 28.37 O ATOM 835 OD2 ASP A 52 4.212 -8.370 -2.599 1.00 25.82 O ATOM 0 H ASP A 52 1.956 -9.913 -2.117 1.00 12.71 H new ATOM 0 HA ASP A 52 0.244 -7.695 -2.427 1.00 16.56 H new ATOM 0 HB2 ASP A 52 2.348 -8.690 -4.329 1.00 21.05 H new ATOM 0 HB3 ASP A 52 1.748 -7.056 -4.122 1.00 21.05 H new ATOM 840 N GLY A 53 -0.491 -10.233 -4.157 1.00 15.00 N ATOM 841 CA GLY A 53 -1.425 -10.839 -5.055 1.00 11.77 C ATOM 842 C GLY A 53 -2.802 -11.101 -4.550 1.00 11.10 C ATOM 843 O GLY A 53 -3.669 -11.517 -5.316 1.00 11.25 O ATOM 0 H GLY A 53 0.080 -10.924 -3.670 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -1.506 -10.201 -5.935 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -1.004 -11.788 -5.387 1.00 11.77 H new ATOM 847 N ARG A 54 -3.084 -10.809 -3.268 1.00 8.53 N ATOM 848 CA ARG A 54 -4.424 -10.893 -2.776 1.00 9.05 C ATOM 849 C ARG A 54 -4.949 -9.506 -2.632 1.00 8.96 C ATOM 850 O ARG A 54 -4.329 -8.514 -3.012 1.00 11.60 O ATOM 851 CB ARG A 54 -4.433 -11.730 -1.485 1.00 7.97 C ATOM 852 CG ARG A 54 -3.832 -13.126 -1.660 1.00 9.62 C ATOM 853 CD ARG A 54 -3.844 -13.931 -0.359 1.00 12.20 C ATOM 854 NE ARG A 54 -3.258 -15.284 -0.576 1.00 18.23 N ATOM 855 CZ ARG A 54 -4.109 -16.334 -0.761 1.00 22.08 C ATOM 856 NH1 ARG A 54 -5.473 -16.341 -0.701 1.00 23.38 N ATOM 857 NH2 ARG A 54 -3.594 -17.513 -1.219 1.00 25.50 N ATOM 0 H ARG A 54 -2.392 -10.517 -2.578 1.00 8.53 H new ATOM 0 HA ARG A 54 -5.095 -11.410 -3.462 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -3.878 -11.198 -0.712 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -5.459 -11.826 -1.131 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -4.391 -13.666 -2.424 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -2.807 -13.035 -2.019 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -3.278 -13.402 0.408 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -4.866 -14.026 0.007 1.00 12.20 H new ATOM 0 HE ARG A 54 -2.247 -15.421 -0.586 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -5.979 -15.480 -0.495 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -5.986 -17.208 -0.862 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -2.596 -17.592 -1.414 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -4.207 -18.314 -1.366 1.00 25.50 H new ATOM 871 N THR A 55 -6.182 -9.388 -2.110 1.00 9.05 N ATOM 872 CA THR A 55 -6.789 -8.094 -2.079 1.00 9.03 C ATOM 873 C THR A 55 -6.736 -7.386 -0.769 1.00 8.15 C ATOM 874 O THR A 55 -6.354 -7.927 0.268 1.00 5.91 O ATOM 875 CB THR A 55 -8.222 -8.127 -2.522 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.062 -8.715 -1.539 1.00 11.95 O ATOM 877 CG2 THR A 55 -8.371 -8.972 -3.798 1.00 11.71 C ATOM 0 H THR A 55 -6.739 -10.151 -1.725 1.00 9.05 H new ATOM 0 HA THR A 55 -6.172 -7.531 -2.779 1.00 9.03 H new ATOM 0 HB THR A 55 -8.515 -7.092 -2.695 1.00 11.15 H new ATOM 0 HG1 THR A 55 -9.105 -9.683 -1.683 1.00 11.95 H new ATOM 0 HG21 THR A 55 -9.417 -8.985 -4.106 1.00 11.71 H new ATOM 0 HG22 THR A 55 -7.764 -8.540 -4.594 1.00 11.71 H new ATOM 0 HG23 THR A 55 -8.038 -9.991 -3.601 1.00 11.71 H new ATOM 885 N LEU A 56 -7.275 -6.154 -0.767 1.00 6.91 N ATOM 886 CA LEU A 56 -7.607 -5.298 0.330 1.00 8.29 C ATOM 887 C LEU A 56 -8.722 -5.840 1.156 1.00 8.05 C ATOM 888 O LEU A 56 -8.797 -5.825 2.384 1.00 10.17 O ATOM 889 CB LEU A 56 -7.877 -3.897 -0.245 1.00 6.60 C ATOM 890 CG LEU A 56 -6.697 -3.261 -0.999 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.087 -1.839 -1.438 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.532 -3.112 -0.007 1.00 9.85 C ATOM 0 H LEU A 56 -7.506 -5.704 -1.652 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.777 -5.236 1.033 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.730 -3.957 -0.921 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.164 -3.235 0.572 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.431 -3.876 -1.859 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.255 -1.382 -1.973 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -7.957 -1.886 -2.093 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.326 -1.240 -0.559 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -4.678 -2.662 -0.514 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -5.839 -2.474 0.822 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.252 -4.094 0.375 1.00 9.85 H new ATOM 904 N SER A 57 -9.725 -6.505 0.556 1.00 8.92 N ATOM 905 CA SER A 57 -10.884 -7.079 1.169 1.00 9.00 C ATOM 906 C SER A 57 -10.567 -8.310 1.946 1.00 9.44 C ATOM 907 O SER A 57 -11.105 -8.421 3.046 1.00 10.91 O ATOM 908 CB SER A 57 -11.937 -7.377 0.088 1.00 10.32 C ATOM 909 OG SER A 57 -13.130 -7.869 0.679 1.00 13.59 O ATOM 0 H SER A 57 -9.723 -6.654 -0.453 1.00 8.92 H new ATOM 0 HA SER A 57 -11.279 -6.355 1.882 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.152 -6.471 -0.479 1.00 10.32 H new ATOM 0 HB3 SER A 57 -11.545 -8.109 -0.618 1.00 10.32 H new ATOM 0 HG SER A 57 -13.791 -8.052 -0.021 1.00 13.59 H new ATOM 915 N ASP A 58 -9.635 -9.179 1.513 1.00 9.11 N ATOM 916 CA ASP A 58 -9.130 -10.365 2.132 1.00 7.91 C ATOM 917 C ASP A 58 -8.361 -10.036 3.365 1.00 9.12 C ATOM 918 O ASP A 58 -8.447 -10.743 4.368 1.00 8.61 O ATOM 919 CB ASP A 58 -8.241 -11.139 1.144 1.00 8.41 C ATOM 920 CG ASP A 58 -9.062 -11.478 -0.092 1.00 11.50 C ATOM 921 OD1 ASP A 58 -10.270 -11.828 -0.025 1.00 10.05 O ATOM 922 OD2 ASP A 58 -8.543 -11.274 -1.222 1.00 11.70 O ATOM 0 H ASP A 58 -9.181 -9.025 0.613 1.00 9.11 H new ATOM 0 HA ASP A 58 -9.977 -10.990 2.415 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -7.373 -10.540 0.868 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -7.865 -12.050 1.609 1.00 8.41 H new ATOM 927 N TYR A 59 -7.577 -8.944 3.386 1.00 7.97 N ATOM 928 CA TYR A 59 -6.856 -8.492 4.536 1.00 8.45 C ATOM 929 C TYR A 59 -7.695 -7.575 5.358 1.00 10.98 C ATOM 930 O TYR A 59 -7.270 -7.037 6.379 1.00 12.95 O ATOM 931 CB TYR A 59 -5.511 -7.815 4.221 1.00 7.94 C ATOM 932 CG TYR A 59 -4.505 -8.773 3.681 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.049 -9.819 4.447 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.033 -8.695 2.392 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.241 -10.823 3.967 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.140 -9.645 1.956 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.742 -10.739 2.688 1.00 6.76 C ATOM 938 OH TYR A 59 -1.850 -11.734 2.235 1.00 7.63 O ATOM 0 H TYR A 59 -7.439 -8.351 2.568 1.00 7.97 H new ATOM 0 HA TYR A 59 -6.620 -9.397 5.095 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -5.671 -7.015 3.499 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.119 -7.353 5.127 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -4.342 -9.855 5.486 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.358 -7.902 1.734 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -3.000 -11.672 4.590 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -2.721 -9.523 0.968 1.00 5.39 H new ATOM 0 HH TYR A 59 -2.290 -12.609 2.270 1.00 7.63 H new ATOM 948 N ASN A 60 -8.911 -7.249 4.883 1.00 12.38 N ATOM 949 CA ASN A 60 -9.956 -6.440 5.429 1.00 13.94 C ATOM 950 C ASN A 60 -9.487 -5.055 5.716 1.00 14.16 C ATOM 951 O ASN A 60 -9.571 -4.625 6.866 1.00 14.26 O ATOM 952 CB ASN A 60 -10.486 -7.035 6.744 1.00 19.23 C ATOM 953 CG ASN A 60 -11.316 -8.269 6.421 1.00 22.65 C ATOM 954 OD1 ASN A 60 -10.988 -9.396 6.790 1.00 25.45 O ATOM 955 ND2 ASN A 60 -12.351 -8.064 5.563 1.00 24.09 N ATOM 0 H ASN A 60 -9.198 -7.613 3.975 1.00 12.38 H new ATOM 0 HA ASN A 60 -10.746 -6.414 4.678 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -9.657 -7.298 7.401 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -11.092 -6.300 7.274 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -12.882 -8.858 5.205 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -12.597 -7.116 5.277 1.00 24.09 H new ATOM 962 N ILE A 61 -9.007 -4.374 4.660 1.00 11.08 N ATOM 963 CA ILE A 61 -8.463 -3.051 4.671 1.00 11.78 C ATOM 964 C ILE A 61 -9.543 -2.177 4.132 1.00 13.74 C ATOM 965 O ILE A 61 -9.916 -2.319 2.969 1.00 14.60 O ATOM 966 CB ILE A 61 -7.235 -2.834 3.839 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.147 -3.914 3.960 1.00 11.56 C ATOM 968 CG2 ILE A 61 -6.653 -1.418 3.992 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.284 -4.018 5.217 1.00 11.42 C ATOM 0 H ILE A 61 -8.999 -4.782 3.725 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.147 -2.837 5.692 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.606 -2.936 2.819 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.637 -4.879 3.827 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -5.469 -3.782 3.116 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -5.766 -1.320 3.367 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -7.397 -0.684 3.684 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -6.383 -1.246 5.034 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.578 -4.841 5.107 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -4.736 -3.087 5.360 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -5.922 -4.200 6.082 1.00 11.42 H new ATOM 981 N GLN A 62 -10.094 -1.393 5.076 1.00 13.97 N ATOM 982 CA GLN A 62 -11.258 -0.581 4.895 1.00 15.52 C ATOM 983 C GLN A 62 -10.859 0.854 4.868 1.00 13.94 C ATOM 984 O GLN A 62 -9.698 1.224 5.037 1.00 12.15 O ATOM 985 CB GLN A 62 -12.390 -0.939 5.872 1.00 19.53 C ATOM 986 CG GLN A 62 -12.523 -2.425 6.210 1.00 26.38 C ATOM 987 CD GLN A 62 -13.881 -2.957 6.647 1.00 30.61 C ATOM 988 OE1 GLN A 62 -14.463 -2.544 7.649 1.00 33.23 O ATOM 989 NE2 GLN A 62 -14.560 -3.809 5.835 1.00 32.71 N ATOM 0 H GLN A 62 -9.706 -1.322 6.017 1.00 13.97 H new ATOM 0 HA GLN A 62 -11.708 -0.793 3.925 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.235 -0.386 6.798 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.334 -0.595 5.449 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -12.212 -2.993 5.333 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -11.810 -2.649 7.003 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -14.115 -4.175 4.994 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -15.515 -4.082 6.067 1.00 32.71 H new ATOM 998 N LYS A 63 -11.852 1.671 4.474 1.00 11.73 N ATOM 999 CA LYS A 63 -11.785 3.085 4.270 1.00 11.97 C ATOM 1000 C LYS A 63 -11.060 3.782 5.369 1.00 10.41 C ATOM 1001 O LYS A 63 -11.088 3.467 6.557 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.125 3.830 4.150 1.00 13.73 C ATOM 1003 CG LYS A 63 -13.989 3.832 5.412 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.185 4.783 5.330 1.00 20.19 C ATOM 1005 CE LYS A 63 -15.759 5.171 6.694 1.00 23.42 C ATOM 1006 NZ LYS A 63 -14.761 6.018 7.386 1.00 25.97 N ATOM 0 H LYS A 63 -12.785 1.307 4.281 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.269 3.128 3.311 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -12.923 4.863 3.867 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -13.699 3.383 3.338 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.351 2.821 5.597 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -13.371 4.110 6.266 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -14.883 5.688 4.803 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.970 4.315 4.736 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -16.698 5.711 6.573 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -15.977 4.280 7.283 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -15.208 6.487 8.199 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -13.973 5.426 7.718 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -14.400 6.737 6.727 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.232 4.757 4.953 1.00 10.04 N ATOM 1021 CA GLU A 64 -9.446 5.683 5.708 1.00 10.94 C ATOM 1022 C GLU A 64 -8.434 5.069 6.614 1.00 9.74 C ATOM 1023 O GLU A 64 -7.801 5.750 7.420 1.00 9.42 O ATOM 1024 CB GLU A 64 -10.355 6.763 6.318 1.00 18.31 C ATOM 1025 CG GLU A 64 -11.353 7.288 5.284 1.00 24.16 C ATOM 1026 CD GLU A 64 -12.499 8.068 5.913 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -12.188 9.012 6.688 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -13.729 7.902 5.698 1.00 31.72 O ATOM 0 H GLU A 64 -10.100 4.912 3.954 1.00 10.04 H new ATOM 0 HA GLU A 64 -8.778 6.200 5.019 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -10.893 6.351 7.171 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -9.747 7.586 6.692 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -10.830 7.929 4.574 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -11.758 6.449 4.718 1.00 24.16 H new ATOM 1035 N SER A 65 -8.185 3.748 6.629 1.00 6.85 N ATOM 1036 CA SER A 65 -7.006 3.133 7.156 1.00 6.90 C ATOM 1037 C SER A 65 -5.762 3.531 6.440 1.00 4.72 C ATOM 1038 O SER A 65 -5.648 3.590 5.217 1.00 3.91 O ATOM 1039 CB SER A 65 -7.026 1.597 7.099 1.00 7.28 C ATOM 1040 OG SER A 65 -7.965 0.969 7.961 1.00 10.56 O ATOM 0 H SER A 65 -8.846 3.069 6.251 1.00 6.85 H new ATOM 0 HA SER A 65 -7.004 3.485 8.188 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.237 1.291 6.074 1.00 7.28 H new ATOM 0 HB3 SER A 65 -6.030 1.228 7.343 1.00 7.28 H new ATOM 0 HG SER A 65 -7.907 -0.004 7.855 1.00 10.56 H new ATOM 1046 N THR A 66 -4.655 3.736 7.175 1.00 4.48 N ATOM 1047 CA THR A 66 -3.358 4.202 6.791 1.00 3.80 C ATOM 1048 C THR A 66 -2.390 3.070 6.737 1.00 4.60 C ATOM 1049 O THR A 66 -2.199 2.361 7.724 1.00 5.33 O ATOM 1050 CB THR A 66 -2.816 5.311 7.643 1.00 2.85 C ATOM 1051 OG1 THR A 66 -3.592 6.470 7.375 1.00 2.15 O ATOM 1052 CG2 THR A 66 -1.324 5.631 7.447 1.00 3.40 C ATOM 0 H THR A 66 -4.678 3.547 8.177 1.00 4.48 H new ATOM 0 HA THR A 66 -3.487 4.631 5.798 1.00 3.80 H new ATOM 0 HB THR A 66 -2.889 4.978 8.678 1.00 2.85 H new ATOM 0 HG1 THR A 66 -3.264 7.216 7.919 1.00 2.15 H new ATOM 0 HG21 THR A 66 -1.037 6.447 8.110 1.00 3.40 H new ATOM 0 HG22 THR A 66 -0.729 4.748 7.679 1.00 3.40 H new ATOM 0 HG23 THR A 66 -1.148 5.926 6.412 1.00 3.40 H new ATOM 1060 N LEU A 67 -1.819 2.945 5.526 1.00 4.17 N ATOM 1061 CA LEU A 67 -0.723 2.072 5.241 1.00 3.85 C ATOM 1062 C LEU A 67 0.610 2.678 5.517 1.00 3.80 C ATOM 1063 O LEU A 67 0.709 3.903 5.450 1.00 5.54 O ATOM 1064 CB LEU A 67 -0.777 1.754 3.737 1.00 7.18 C ATOM 1065 CG LEU A 67 -1.968 0.835 3.415 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.666 1.090 2.069 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -1.609 -0.660 3.431 1.00 8.12 C ATOM 0 H LEU A 67 -2.134 3.474 4.712 1.00 4.17 H new ATOM 0 HA LEU A 67 -0.823 1.196 5.882 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -0.862 2.680 3.168 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.152 1.274 3.429 1.00 7.18 H new ATOM 0 HG LEU A 67 -2.651 1.093 4.224 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.489 0.386 1.947 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -3.053 2.109 2.047 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -1.951 0.956 1.257 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -2.495 -1.250 3.196 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -0.835 -0.856 2.689 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -1.242 -0.935 4.420 1.00 8.12 H new ATOM 1079 N HIS A 68 1.710 1.948 5.768 1.00 2.94 N ATOM 1080 CA HIS A 68 3.063 2.410 5.816 1.00 4.17 C ATOM 1081 C HIS A 68 3.914 1.690 4.828 1.00 5.32 C ATOM 1082 O HIS A 68 4.012 0.465 4.876 1.00 7.70 O ATOM 1083 CB HIS A 68 3.732 2.108 7.167 1.00 5.57 C ATOM 1084 CG HIS A 68 4.989 2.846 7.518 1.00 9.95 C ATOM 1085 ND1 HIS A 68 5.123 4.219 7.490 1.00 13.74 N ATOM 1086 CD2 HIS A 68 6.194 2.327 7.878 1.00 12.79 C ATOM 1087 CE1 HIS A 68 6.410 4.436 7.875 1.00 14.75 C ATOM 1088 NE2 HIS A 68 7.102 3.338 8.115 1.00 16.30 N ATOM 0 H HIS A 68 1.646 0.947 5.953 1.00 2.94 H new ATOM 0 HA HIS A 68 2.998 3.481 5.622 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.001 2.304 7.951 1.00 5.57 H new ATOM 0 HB3 HIS A 68 3.953 1.041 7.197 1.00 5.57 H new ATOM 0 HD2 HIS A 68 6.409 1.272 7.966 1.00 12.79 H new ATOM 0 HE1 HIS A 68 6.831 5.426 7.976 1.00 14.75 H new ATOM 0 HE2 HIS A 68 8.076 3.256 8.406 1.00 16.30 H new ATOM 1096 N LEU A 69 4.486 2.505 3.924 1.00 5.29 N ATOM 1097 CA LEU A 69 5.444 2.096 2.943 1.00 3.97 C ATOM 1098 C LEU A 69 6.868 2.040 3.380 1.00 5.07 C ATOM 1099 O LEU A 69 7.469 3.022 3.811 1.00 4.34 O ATOM 1100 CB LEU A 69 5.430 3.095 1.774 1.00 6.08 C ATOM 1101 CG LEU A 69 6.508 3.061 0.678 1.00 7.37 C ATOM 1102 CD1 LEU A 69 6.459 1.715 -0.065 1.00 9.96 C ATOM 1103 CD2 LEU A 69 6.188 4.228 -0.271 1.00 6.87 C ATOM 0 H LEU A 69 4.269 3.500 3.875 1.00 5.29 H new ATOM 0 HA LEU A 69 5.131 1.081 2.696 1.00 3.97 H new ATOM 0 HB2 LEU A 69 4.467 2.986 1.275 1.00 6.08 H new ATOM 0 HB3 LEU A 69 5.452 4.094 2.210 1.00 6.08 H new ATOM 0 HG LEU A 69 7.512 3.161 1.091 1.00 7.37 H new ATOM 0 HD11 LEU A 69 7.226 1.699 -0.840 1.00 9.96 H new ATOM 0 HD12 LEU A 69 6.639 0.903 0.640 1.00 9.96 H new ATOM 0 HD13 LEU A 69 5.478 1.588 -0.523 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.924 4.256 -1.075 1.00 6.87 H new ATOM 0 HD22 LEU A 69 5.193 4.090 -0.694 1.00 6.87 H new ATOM 0 HD23 LEU A 69 6.220 5.166 0.283 1.00 6.87 H new ATOM 1115 N VAL A 70 7.508 0.868 3.219 1.00 4.29 N ATOM 1116 CA VAL A 70 8.879 0.704 3.592 1.00 6.26 C ATOM 1117 C VAL A 70 9.533 0.270 2.325 1.00 9.22 C ATOM 1118 O VAL A 70 9.081 -0.626 1.613 1.00 9.36 O ATOM 1119 CB VAL A 70 9.061 -0.302 4.690 1.00 8.69 C ATOM 1120 CG1 VAL A 70 10.523 -0.320 5.167 1.00 9.76 C ATOM 1121 CG2 VAL A 70 8.218 0.116 5.907 1.00 8.54 C ATOM 0 H VAL A 70 7.074 0.031 2.829 1.00 4.29 H new ATOM 0 HA VAL A 70 9.309 1.618 4.001 1.00 6.26 H new ATOM 0 HB VAL A 70 8.766 -1.277 4.303 1.00 8.69 H new ATOM 0 HG11 VAL A 70 10.637 -1.055 5.964 1.00 9.76 H new ATOM 0 HG12 VAL A 70 11.174 -0.584 4.334 1.00 9.76 H new ATOM 0 HG13 VAL A 70 10.795 0.666 5.542 1.00 9.76 H new ATOM 0 HG21 VAL A 70 8.348 -0.613 6.707 1.00 8.54 H new ATOM 0 HG22 VAL A 70 8.542 1.097 6.254 1.00 8.54 H new ATOM 0 HG23 VAL A 70 7.166 0.160 5.623 1.00 8.54 H new ATOM 1131 N LEU A 71 10.616 0.959 1.927 1.00 12.71 N ATOM 1132 CA LEU A 71 11.420 0.625 0.792 1.00 16.06 C ATOM 1133 C LEU A 71 12.153 -0.668 0.892 1.00 18.09 C ATOM 1134 O LEU A 71 12.651 -1.077 1.940 1.00 19.26 O ATOM 1135 CB LEU A 71 12.263 1.816 0.307 1.00 17.10 C ATOM 1136 CG LEU A 71 11.568 3.153 0.001 1.00 19.37 C ATOM 1137 CD1 LEU A 71 10.300 3.097 -0.868 1.00 19.57 C ATOM 1138 CD2 LEU A 71 11.230 4.008 1.234 1.00 17.51 C ATOM 0 H LEU A 71 10.947 1.788 2.419 1.00 12.71 H new ATOM 0 HA LEU A 71 10.714 0.418 -0.013 1.00 16.06 H new ATOM 0 HB2 LEU A 71 13.025 2.008 1.063 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.784 1.502 -0.598 1.00 17.10 H new ATOM 0 HG LEU A 71 12.361 3.622 -0.582 1.00 19.37 H new ATOM 0 HD11 LEU A 71 9.910 4.105 -1.008 1.00 19.57 H new ATOM 0 HD12 LEU A 71 10.543 2.664 -1.838 1.00 19.57 H new ATOM 0 HD13 LEU A 71 9.548 2.482 -0.374 1.00 19.57 H new ATOM 0 HD21 LEU A 71 10.743 4.930 0.915 1.00 17.51 H new ATOM 0 HD22 LEU A 71 10.560 3.452 1.890 1.00 17.51 H new ATOM 0 HD23 LEU A 71 12.147 4.249 1.772 1.00 17.51 H new