USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 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 Single : A 1 MET CE :methyl -161:sc= -0.309 (180deg=-0.74) USER MOD Single : A 1 MET N :NH3+ -177:sc= 1.02 (180deg=1) USER MOD Single : A 2 GLN : amide:sc= 0.402 K(o=0.4,f=-0.95) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.417 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -172:sc= 0.405 (180deg=0.212) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 14 THR OG1 : rot -73:sc= 0.0842 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0422 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.295 USER MOD Single : A 25 ASN : amide:sc= 0.406 K(o=0.41,f=-1.9!) USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 1.3 (180deg=1.09) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.5!) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= -0.0174 (180deg=-0.237) USER MOD Single : A 40 GLN : amide:sc=-0.00763 X(o=-0.0076,f=-0.29) USER MOD Single : A 41 GLN : amide:sc= 1.86 K(o=1.9,f=-4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 55 THR OG1 : rot -81:sc= 1.37 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 90:sc= 1.01 USER MOD Single : A 60 ASN : amide:sc=-0.00236 X(o=-0.0024,f=-0.016) 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 -13.006 4.811 -3.695 1.00 9.67 N ATOM 2 CA MET A 1 -12.713 5.350 -2.348 1.00 10.38 C ATOM 3 C MET A 1 -11.399 6.022 -2.140 1.00 9.62 C ATOM 4 O MET A 1 -10.609 6.065 -3.082 1.00 9.62 O ATOM 5 CB MET A 1 -13.019 4.362 -1.210 1.00 13.77 C ATOM 6 CG MET A 1 -12.415 2.979 -1.461 1.00 16.29 C ATOM 7 SD MET A 1 -12.948 1.855 -0.135 1.00 17.17 S ATOM 8 CE MET A 1 -11.482 0.810 -0.372 1.00 16.11 C ATOM 0 H1 MET A 1 -13.969 4.418 -3.710 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.932 5.574 -4.398 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.323 4.061 -3.925 1.00 9.67 H new ATOM 0 HA MET A 1 -13.429 6.171 -2.303 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.631 4.760 -0.272 1.00 13.77 H new ATOM 0 HB3 MET A 1 -14.099 4.268 -1.094 1.00 13.77 H new ATOM 0 HG2 MET A 1 -12.736 2.598 -2.430 1.00 16.29 H new ATOM 0 HG3 MET A 1 -11.327 3.042 -1.488 1.00 16.29 H new ATOM 0 HE1 MET A 1 -11.659 -0.171 0.069 1.00 16.11 H new ATOM 0 HE2 MET A 1 -11.283 0.698 -1.438 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.622 1.275 0.111 1.00 16.11 H new ATOM 20 N GLN A 2 -11.166 6.716 -1.011 1.00 9.27 N ATOM 21 CA GLN A 2 -9.940 7.419 -0.798 1.00 9.07 C ATOM 22 C GLN A 2 -9.257 6.715 0.323 1.00 8.72 C ATOM 23 O GLN A 2 -9.925 6.270 1.255 1.00 8.22 O ATOM 24 CB GLN A 2 -10.161 8.895 -0.428 1.00 14.46 C ATOM 25 CG GLN A 2 -10.527 9.794 -1.611 1.00 17.01 C ATOM 26 CD GLN A 2 -10.051 11.211 -1.327 1.00 20.10 C ATOM 27 OE1 GLN A 2 -9.920 11.718 -0.214 1.00 21.89 O ATOM 28 NE2 GLN A 2 -9.825 11.892 -2.483 1.00 19.49 N ATOM 0 H GLN A 2 -11.832 6.790 -0.242 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.350 7.424 -1.715 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -10.954 8.955 0.318 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -9.254 9.280 0.039 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -10.066 9.419 -2.525 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -11.605 9.785 -1.771 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -9.948 11.426 -3.382 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -9.533 12.869 -2.451 1.00 19.49 H new ATOM 37 N ILE A 3 -7.965 6.370 0.173 1.00 5.87 N ATOM 38 CA ILE A 3 -7.274 5.649 1.197 1.00 5.07 C ATOM 39 C ILE A 3 -6.033 6.464 1.315 1.00 4.01 C ATOM 40 O ILE A 3 -5.692 7.113 0.327 1.00 4.61 O ATOM 41 CB ILE A 3 -6.840 4.264 0.820 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.981 4.030 -0.434 1.00 4.72 C ATOM 43 CG2 ILE A 3 -8.121 3.414 0.852 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.652 2.563 -0.705 1.00 10.83 C ATOM 0 H ILE A 3 -7.403 6.588 -0.650 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.907 5.523 2.076 1.00 5.07 H new ATOM 0 HB ILE A 3 -6.084 3.971 1.548 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.503 4.439 -1.299 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.049 4.586 -0.331 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.881 2.385 0.586 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.550 3.439 1.854 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.841 3.815 0.139 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -5.044 2.487 -1.606 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -5.101 2.152 0.140 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -6.576 2.002 -0.843 1.00 10.83 H new ATOM 56 N PHE A 4 -5.315 6.349 2.446 1.00 4.55 N ATOM 57 CA PHE A 4 -4.136 7.129 2.665 1.00 4.68 C ATOM 58 C PHE A 4 -2.986 6.182 2.657 1.00 5.30 C ATOM 59 O PHE A 4 -3.005 5.031 3.090 1.00 5.58 O ATOM 60 CB PHE A 4 -4.284 7.782 4.050 1.00 4.83 C ATOM 61 CG PHE A 4 -5.416 8.734 4.228 1.00 7.97 C ATOM 62 CD1 PHE A 4 -5.367 9.973 3.632 1.00 6.69 C ATOM 63 CD2 PHE A 4 -6.330 8.537 5.236 1.00 8.34 C ATOM 64 CE1 PHE A 4 -6.373 10.886 3.841 1.00 9.10 C ATOM 65 CE2 PHE A 4 -7.306 9.474 5.483 1.00 10.61 C ATOM 66 CZ PHE A 4 -7.359 10.648 4.769 1.00 8.90 C ATOM 0 H PHE A 4 -5.551 5.715 3.210 1.00 4.55 H new ATOM 0 HA PHE A 4 -3.985 7.900 1.909 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -4.388 6.988 4.790 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -3.358 8.310 4.277 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -4.533 10.230 2.996 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -6.281 7.641 5.837 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -6.389 11.802 3.269 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -8.042 9.285 6.250 1.00 10.61 H new ATOM 0 HZ PHE A 4 -8.152 11.362 4.933 1.00 8.90 H new ATOM 76 N VAL A 5 -1.799 6.676 2.260 1.00 4.44 N ATOM 77 CA VAL A 5 -0.552 6.002 2.446 1.00 3.87 C ATOM 78 C VAL A 5 0.421 6.920 3.102 1.00 4.93 C ATOM 79 O VAL A 5 0.501 8.106 2.787 1.00 6.84 O ATOM 80 CB VAL A 5 -0.054 5.441 1.147 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.419 5.005 1.229 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.950 4.281 0.684 1.00 9.13 C ATOM 0 H VAL A 5 -1.705 7.578 1.793 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.687 5.149 3.111 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.105 6.238 0.405 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.734 4.606 0.265 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.039 5.864 1.486 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.529 4.236 1.994 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.575 3.886 -0.260 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -0.942 3.492 1.437 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.970 4.641 0.547 1.00 9.13 H new ATOM 92 N LYS A 6 0.949 6.429 4.237 1.00 6.04 N ATOM 93 CA LYS A 6 1.744 7.219 5.125 1.00 6.12 C ATOM 94 C LYS A 6 2.930 6.438 5.576 1.00 6.57 C ATOM 95 O LYS A 6 2.787 5.235 5.785 1.00 5.76 O ATOM 96 CB LYS A 6 0.857 7.580 6.329 1.00 7.45 C ATOM 97 CG LYS A 6 1.523 8.678 7.161 1.00 11.12 C ATOM 98 CD LYS A 6 0.566 8.969 8.319 1.00 14.54 C ATOM 99 CE LYS A 6 0.962 10.238 9.076 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.138 10.660 9.973 1.00 20.55 N ATOM 0 H LYS A 6 0.821 5.465 4.544 1.00 6.04 H new ATOM 0 HA LYS A 6 2.104 8.120 4.628 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.120 7.917 5.983 1.00 7.45 H new ATOM 0 HB3 LYS A 6 0.690 6.697 6.945 1.00 7.45 H new ATOM 0 HG2 LYS A 6 2.495 8.352 7.531 1.00 11.12 H new ATOM 0 HG3 LYS A 6 1.694 9.572 6.562 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.448 9.076 7.934 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.559 8.123 9.006 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.866 10.057 9.657 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.192 11.036 8.369 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.141 11.523 10.482 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.991 10.851 9.410 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.338 9.903 10.658 1.00 20.55 H new ATOM 114 N THR A 7 4.114 7.076 5.582 1.00 7.41 N ATOM 115 CA THR A 7 5.320 6.479 6.068 1.00 7.48 C ATOM 116 C THR A 7 5.398 6.551 7.554 1.00 8.75 C ATOM 117 O THR A 7 4.465 6.836 8.305 1.00 8.58 O ATOM 118 CB THR A 7 6.496 7.185 5.461 1.00 9.61 C ATOM 119 OG1 THR A 7 6.543 8.584 5.702 1.00 11.78 O ATOM 120 CG2 THR A 7 6.465 6.902 3.949 1.00 9.17 C ATOM 0 H THR A 7 4.237 8.029 5.241 1.00 7.41 H new ATOM 0 HA THR A 7 5.327 5.427 5.784 1.00 7.48 H new ATOM 0 HB THR A 7 7.397 6.799 5.938 1.00 9.61 H new ATOM 0 HG1 THR A 7 7.339 8.963 5.274 1.00 11.78 H new ATOM 0 HG21 THR A 7 7.307 7.400 3.468 1.00 9.17 H new ATOM 0 HG22 THR A 7 6.533 5.828 3.778 1.00 9.17 H new ATOM 0 HG23 THR A 7 5.533 7.278 3.528 1.00 9.17 H new ATOM 128 N LEU A 8 6.556 6.121 8.086 1.00 9.84 N ATOM 129 CA LEU A 8 6.873 6.155 9.480 1.00 14.15 C ATOM 130 C LEU A 8 7.059 7.552 9.963 1.00 17.37 C ATOM 131 O LEU A 8 6.521 7.851 11.028 1.00 17.01 O ATOM 132 CB LEU A 8 8.223 5.482 9.778 1.00 16.63 C ATOM 133 CG LEU A 8 8.145 4.005 9.357 1.00 18.88 C ATOM 134 CD1 LEU A 8 9.551 3.402 9.518 1.00 18.59 C ATOM 135 CD2 LEU A 8 7.322 3.140 10.327 1.00 19.31 C ATOM 0 H LEU A 8 7.307 5.731 7.517 1.00 9.84 H new ATOM 0 HA LEU A 8 6.040 5.647 9.967 1.00 14.15 H new ATOM 0 HB2 LEU A 8 9.024 5.987 9.237 1.00 16.63 H new ATOM 0 HB3 LEU A 8 8.457 5.560 10.840 1.00 16.63 H new ATOM 0 HG LEU A 8 7.718 3.999 8.354 1.00 18.88 H new ATOM 0 HD11 LEU A 8 9.532 2.352 9.227 1.00 18.59 H new ATOM 0 HD12 LEU A 8 10.253 3.942 8.883 1.00 18.59 H new ATOM 0 HD13 LEU A 8 9.865 3.485 10.558 1.00 18.59 H new ATOM 0 HD21 LEU A 8 7.307 2.110 9.972 1.00 19.31 H new ATOM 0 HD22 LEU A 8 7.773 3.176 11.319 1.00 19.31 H new ATOM 0 HD23 LEU A 8 6.302 3.521 10.379 1.00 19.31 H new ATOM 147 N THR A 9 7.757 8.455 9.251 1.00 18.33 N ATOM 148 CA THR A 9 7.970 9.812 9.648 1.00 19.24 C ATOM 149 C THR A 9 6.713 10.571 9.393 1.00 19.48 C ATOM 150 O THR A 9 6.367 11.335 10.293 1.00 23.14 O ATOM 151 CB THR A 9 9.184 10.525 9.129 1.00 18.97 C ATOM 152 OG1 THR A 9 9.338 10.543 7.718 1.00 20.24 O ATOM 153 CG2 THR A 9 10.412 9.786 9.687 1.00 19.70 C ATOM 0 H THR A 9 8.193 8.228 8.357 1.00 18.33 H new ATOM 0 HA THR A 9 8.215 9.765 10.709 1.00 19.24 H new ATOM 0 HB THR A 9 9.076 11.563 9.443 1.00 18.97 H new ATOM 0 HG1 THR A 9 10.155 11.031 7.484 1.00 20.24 H new ATOM 0 HG21 THR A 9 11.321 10.272 9.333 1.00 19.70 H new ATOM 0 HG22 THR A 9 10.387 9.811 10.776 1.00 19.70 H new ATOM 0 HG23 THR A 9 10.399 8.750 9.347 1.00 19.70 H new ATOM 161 N GLY A 10 5.944 10.265 8.333 1.00 19.43 N ATOM 162 CA GLY A 10 4.658 10.812 8.028 1.00 18.74 C ATOM 163 C GLY A 10 4.644 11.712 6.840 1.00 17.62 C ATOM 164 O GLY A 10 4.322 12.892 6.970 1.00 19.74 O ATOM 0 H GLY A 10 6.245 9.583 7.637 1.00 19.43 H new ATOM 0 HA2 GLY A 10 3.958 9.994 7.858 1.00 18.74 H new ATOM 0 HA3 GLY A 10 4.296 11.366 8.894 1.00 18.74 H new ATOM 168 N LYS A 11 4.818 11.149 5.631 1.00 13.56 N ATOM 169 CA LYS A 11 4.504 11.625 4.319 1.00 11.91 C ATOM 170 C LYS A 11 3.185 11.038 3.950 1.00 10.18 C ATOM 171 O LYS A 11 3.183 9.854 3.615 1.00 9.10 O ATOM 172 CB LYS A 11 5.672 11.382 3.349 1.00 13.43 C ATOM 173 CG LYS A 11 5.453 11.598 1.850 1.00 16.69 C ATOM 174 CD LYS A 11 4.851 12.962 1.508 1.00 17.92 C ATOM 175 CE LYS A 11 4.848 13.345 0.026 1.00 20.81 C ATOM 176 NZ LYS A 11 6.150 12.962 -0.563 1.00 21.93 N ATOM 0 H LYS A 11 5.242 10.223 5.572 1.00 13.56 H new ATOM 0 HA LYS A 11 4.389 12.708 4.272 1.00 11.91 H new ATOM 0 HB2 LYS A 11 6.494 12.028 3.657 1.00 13.43 H new ATOM 0 HB3 LYS A 11 6.005 10.353 3.487 1.00 13.43 H new ATOM 0 HG2 LYS A 11 6.407 11.492 1.333 1.00 16.69 H new ATOM 0 HG3 LYS A 11 4.796 10.815 1.471 1.00 16.69 H new ATOM 0 HD2 LYS A 11 3.823 12.984 1.870 1.00 17.92 H new ATOM 0 HD3 LYS A 11 5.399 13.727 2.059 1.00 17.92 H new ATOM 0 HE2 LYS A 11 4.034 12.839 -0.494 1.00 20.81 H new ATOM 0 HE3 LYS A 11 4.682 14.416 -0.088 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 6.216 13.336 -1.531 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 6.921 13.355 0.014 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 6.229 11.925 -0.586 1.00 21.93 H new ATOM 190 N THR A 12 2.106 11.838 4.020 1.00 9.63 N ATOM 191 CA THR A 12 0.777 11.405 3.719 1.00 9.85 C ATOM 192 C THR A 12 0.390 11.830 2.345 1.00 11.66 C ATOM 193 O THR A 12 0.555 12.956 1.878 1.00 12.33 O ATOM 194 CB THR A 12 -0.204 11.837 4.768 1.00 10.85 C ATOM 195 OG1 THR A 12 0.308 11.542 6.059 1.00 10.91 O ATOM 196 CG2 THR A 12 -1.501 11.046 4.528 1.00 9.63 C ATOM 0 H THR A 12 2.161 12.819 4.295 1.00 9.63 H new ATOM 0 HA THR A 12 0.758 10.315 3.735 1.00 9.85 H new ATOM 0 HB THR A 12 -0.386 12.910 4.711 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.336 11.828 6.740 1.00 10.91 H new ATOM 0 HG21 THR A 12 -2.244 11.331 5.273 1.00 9.63 H new ATOM 0 HG22 THR A 12 -1.883 11.267 3.531 1.00 9.63 H new ATOM 0 HG23 THR A 12 -1.297 9.978 4.610 1.00 9.63 H new ATOM 204 N ILE A 13 -0.231 10.879 1.625 1.00 10.42 N ATOM 205 CA ILE A 13 -0.812 10.987 0.323 1.00 11.84 C ATOM 206 C ILE A 13 -2.097 10.239 0.227 1.00 10.55 C ATOM 207 O ILE A 13 -2.318 9.452 1.145 1.00 11.92 O ATOM 208 CB ILE A 13 0.126 10.609 -0.785 1.00 14.86 C ATOM 209 CG1 ILE A 13 0.430 9.102 -0.842 1.00 14.87 C ATOM 210 CG2 ILE A 13 1.470 11.349 -0.681 1.00 17.08 C ATOM 211 CD1 ILE A 13 1.303 8.622 -2.001 1.00 16.46 C ATOM 0 H ILE A 13 -0.336 9.935 1.997 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.028 12.047 0.186 1.00 11.84 H new ATOM 0 HB ILE A 13 -0.401 10.900 -1.694 1.00 14.86 H new ATOM 0 HG12 ILE A 13 0.916 8.817 0.091 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.518 8.565 -0.884 1.00 14.87 H new ATOM 0 HG21 ILE A 13 2.118 11.045 -1.503 1.00 17.08 H new ATOM 0 HG22 ILE A 13 1.298 12.424 -0.733 1.00 17.08 H new ATOM 0 HG23 ILE A 13 1.948 11.104 0.267 1.00 17.08 H new ATOM 0 HD11 ILE A 13 1.443 7.544 -1.928 1.00 16.46 H new ATOM 0 HD12 ILE A 13 0.817 8.862 -2.947 1.00 16.46 H new ATOM 0 HD13 ILE A 13 2.273 9.118 -1.956 1.00 16.46 H new ATOM 223 N THR A 14 -2.952 10.508 -0.776 1.00 9.39 N ATOM 224 CA THR A 14 -4.271 9.961 -0.860 1.00 9.63 C ATOM 225 C THR A 14 -4.471 9.305 -2.182 1.00 11.20 C ATOM 226 O THR A 14 -4.486 9.935 -3.239 1.00 11.63 O ATOM 227 CB THR A 14 -5.418 10.904 -0.649 1.00 10.38 C ATOM 228 OG1 THR A 14 -5.116 11.675 0.505 1.00 16.30 O ATOM 229 CG2 THR A 14 -6.813 10.297 -0.426 1.00 11.66 C ATOM 0 H THR A 14 -2.718 11.126 -1.553 1.00 9.39 H new ATOM 0 HA THR A 14 -4.299 9.265 -0.021 1.00 9.63 H new ATOM 0 HB THR A 14 -5.498 11.455 -1.586 1.00 10.38 H new ATOM 0 HG1 THR A 14 -5.216 11.119 1.305 1.00 16.30 H new ATOM 0 HG21 THR A 14 -7.540 11.097 -0.288 1.00 11.66 H new ATOM 0 HG22 THR A 14 -7.092 9.698 -1.293 1.00 11.66 H new ATOM 0 HG23 THR A 14 -6.797 9.665 0.462 1.00 11.66 H new ATOM 237 N LEU A 15 -4.750 7.993 -2.086 1.00 8.29 N ATOM 238 CA LEU A 15 -4.937 7.196 -3.259 1.00 9.03 C ATOM 239 C LEU A 15 -6.398 6.945 -3.412 1.00 8.59 C ATOM 240 O LEU A 15 -7.073 6.582 -2.451 1.00 7.79 O ATOM 241 CB LEU A 15 -4.148 5.876 -3.257 1.00 11.08 C ATOM 242 CG LEU A 15 -2.611 5.896 -3.307 1.00 15.79 C ATOM 243 CD1 LEU A 15 -2.050 7.127 -4.038 1.00 15.27 C ATOM 244 CD2 LEU A 15 -2.045 5.927 -1.878 1.00 15.88 C ATOM 0 H LEU A 15 -4.846 7.487 -1.205 1.00 8.29 H new ATOM 0 HA LEU A 15 -4.539 7.751 -4.109 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.436 5.328 -2.359 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.492 5.292 -4.111 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.315 4.998 -3.848 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.961 7.084 -4.040 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.415 7.138 -5.065 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.376 8.033 -3.528 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.956 5.941 -1.918 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -2.401 6.821 -1.365 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.377 5.041 -1.336 1.00 15.88 H new ATOM 256 N GLU A 16 -6.864 7.129 -4.661 1.00 11.04 N ATOM 257 CA GLU A 16 -8.216 6.930 -5.080 1.00 11.50 C ATOM 258 C GLU A 16 -8.188 5.576 -5.701 1.00 10.13 C ATOM 259 O GLU A 16 -7.555 5.429 -6.745 1.00 9.83 O ATOM 260 CB GLU A 16 -8.751 8.039 -6.003 1.00 17.22 C ATOM 261 CG GLU A 16 -8.673 9.429 -5.368 1.00 23.33 C ATOM 262 CD GLU A 16 -9.802 10.287 -5.920 1.00 26.99 C ATOM 263 OE1 GLU A 16 -9.956 10.116 -7.159 1.00 28.86 O ATOM 264 OE2 GLU A 16 -10.395 11.166 -5.240 1.00 28.90 O ATOM 0 H GLU A 16 -6.259 7.435 -5.423 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.922 6.986 -4.252 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.182 8.037 -6.933 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -9.787 7.821 -6.263 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -8.753 9.353 -4.284 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -7.709 9.889 -5.585 1.00 23.33 H new ATOM 271 N VAL A 17 -8.889 4.566 -5.154 1.00 8.99 N ATOM 272 CA VAL A 17 -8.984 3.244 -5.691 1.00 8.85 C ATOM 273 C VAL A 17 -10.357 2.753 -5.387 1.00 8.04 C ATOM 274 O VAL A 17 -11.111 3.388 -4.651 1.00 8.99 O ATOM 275 CB VAL A 17 -7.998 2.328 -5.027 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.559 2.419 -5.560 1.00 12.05 C ATOM 277 CG2 VAL A 17 -7.918 2.651 -3.525 1.00 10.54 C ATOM 0 H VAL A 17 -9.418 4.679 -4.289 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.776 3.260 -6.761 1.00 8.85 H new ATOM 0 HB VAL A 17 -8.375 1.328 -5.240 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.925 1.719 -5.016 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.548 2.170 -6.621 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.183 3.433 -5.421 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.201 1.984 -3.047 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.597 3.684 -3.392 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.899 2.515 -3.071 1.00 10.54 H new ATOM 287 N GLU A 18 -10.630 1.527 -5.868 1.00 7.29 N ATOM 288 CA GLU A 18 -11.888 0.880 -5.665 1.00 7.08 C ATOM 289 C GLU A 18 -11.559 -0.332 -4.862 1.00 6.45 C ATOM 290 O GLU A 18 -10.409 -0.760 -4.935 1.00 5.28 O ATOM 291 CB GLU A 18 -12.471 0.445 -7.021 1.00 10.28 C ATOM 292 CG GLU A 18 -13.321 1.484 -7.754 1.00 12.65 C ATOM 293 CD GLU A 18 -14.737 1.651 -7.221 1.00 14.15 C ATOM 294 OE1 GLU A 18 -15.029 2.179 -6.115 1.00 18.17 O ATOM 295 OE2 GLU A 18 -15.638 1.292 -8.026 1.00 14.33 O ATOM 0 H GLU A 18 -9.964 0.975 -6.408 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.616 1.528 -5.177 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -11.646 0.156 -7.672 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -13.079 -0.446 -6.863 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -12.814 2.447 -7.703 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -13.376 1.208 -8.807 1.00 12.65 H new ATOM 302 N PRO A 19 -12.445 -0.977 -4.162 1.00 7.24 N ATOM 303 CA PRO A 19 -11.944 -2.056 -3.361 1.00 7.07 C ATOM 304 C PRO A 19 -11.612 -3.318 -4.081 1.00 6.65 C ATOM 305 O PRO A 19 -11.217 -4.292 -3.441 1.00 6.37 O ATOM 306 CB PRO A 19 -13.105 -2.344 -2.412 1.00 7.61 C ATOM 307 CG PRO A 19 -13.909 -1.041 -2.285 1.00 8.16 C ATOM 308 CD PRO A 19 -13.589 -0.288 -3.587 1.00 7.49 C ATOM 0 HA PRO A 19 -10.997 -1.754 -2.913 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.731 -3.148 -2.800 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.737 -2.668 -1.438 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.977 -1.237 -2.188 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -13.609 -0.469 -1.407 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -14.440 -0.303 -4.268 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.358 0.759 -3.389 1.00 7.49 H new ATOM 316 N SER A 20 -11.770 -3.288 -5.416 1.00 6.80 N ATOM 317 CA SER A 20 -11.304 -4.316 -6.295 1.00 6.28 C ATOM 318 C SER A 20 -9.836 -4.231 -6.531 1.00 8.45 C ATOM 319 O SER A 20 -9.231 -5.181 -7.026 1.00 7.26 O ATOM 320 CB SER A 20 -12.038 -4.163 -7.638 1.00 8.57 C ATOM 321 OG SER A 20 -11.875 -2.823 -8.077 1.00 11.13 O ATOM 0 H SER A 20 -12.238 -2.522 -5.901 1.00 6.80 H new ATOM 0 HA SER A 20 -11.506 -5.283 -5.834 1.00 6.28 H new ATOM 0 HB2 SER A 20 -11.633 -4.857 -8.375 1.00 8.57 H new ATOM 0 HB3 SER A 20 -13.096 -4.400 -7.523 1.00 8.57 H new ATOM 0 HG SER A 20 -12.334 -2.702 -8.934 1.00 11.13 H new ATOM 327 N ASP A 21 -9.188 -3.110 -6.168 1.00 7.50 N ATOM 328 CA ASP A 21 -7.826 -2.871 -6.533 1.00 7.70 C ATOM 329 C ASP A 21 -6.877 -3.524 -5.588 1.00 7.08 C ATOM 330 O ASP A 21 -7.080 -3.583 -4.377 1.00 8.11 O ATOM 331 CB ASP A 21 -7.484 -1.372 -6.595 1.00 11.00 C ATOM 332 CG ASP A 21 -7.874 -0.755 -7.931 1.00 15.32 C ATOM 333 OD1 ASP A 21 -7.424 -1.265 -8.991 1.00 14.36 O ATOM 334 OD2 ASP A 21 -8.696 0.200 -7.916 1.00 18.03 O ATOM 0 H ASP A 21 -9.611 -2.363 -5.617 1.00 7.50 H new ATOM 0 HA ASP A 21 -7.717 -3.303 -7.528 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.999 -0.849 -5.789 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.415 -1.237 -6.431 1.00 11.00 H new ATOM 339 N THR A 22 -5.877 -4.093 -6.285 1.00 5.37 N ATOM 340 CA THR A 22 -4.947 -4.970 -5.643 1.00 6.01 C ATOM 341 C THR A 22 -3.948 -4.230 -4.821 1.00 8.01 C ATOM 342 O THR A 22 -3.773 -3.016 -4.902 1.00 8.11 O ATOM 343 CB THR A 22 -4.202 -5.863 -6.589 1.00 8.92 C ATOM 344 OG1 THR A 22 -3.548 -5.216 -7.671 1.00 10.22 O ATOM 345 CG2 THR A 22 -5.196 -6.848 -7.228 1.00 9.65 C ATOM 0 H THR A 22 -5.713 -3.949 -7.281 1.00 5.37 H new ATOM 0 HA THR A 22 -5.573 -5.592 -5.003 1.00 6.01 H new ATOM 0 HB THR A 22 -3.432 -6.327 -5.973 1.00 8.92 H new ATOM 0 HG1 THR A 22 -3.093 -5.884 -8.225 1.00 10.22 H new ATOM 0 HG21 THR A 22 -4.666 -7.503 -7.919 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.667 -7.447 -6.448 1.00 9.65 H new ATOM 0 HG23 THR A 22 -5.961 -6.292 -7.770 1.00 9.65 H new ATOM 353 N ILE A 23 -3.288 -4.842 -3.822 1.00 8.32 N ATOM 354 CA ILE A 23 -2.157 -4.282 -3.150 1.00 9.92 C ATOM 355 C ILE A 23 -1.119 -3.875 -4.139 1.00 10.01 C ATOM 356 O ILE A 23 -0.504 -2.821 -3.983 1.00 8.71 O ATOM 357 CB ILE A 23 -1.693 -5.220 -2.076 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.804 -5.635 -1.097 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.477 -4.648 -1.327 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.543 -4.455 -0.467 1.00 12.30 C ATOM 0 H ILE A 23 -3.552 -5.762 -3.469 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.423 -3.360 -2.633 1.00 9.92 H new ATOM 0 HB ILE A 23 -1.390 -6.134 -2.587 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -3.523 -6.263 -1.623 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -2.369 -6.244 -0.305 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.163 -5.350 -0.554 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.342 -4.491 -2.029 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.747 -3.698 -0.866 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -4.311 -4.827 0.211 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.837 -3.838 0.088 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -4.009 -3.857 -1.250 1.00 12.30 H new ATOM 372 N GLU A 24 -0.758 -4.679 -5.155 1.00 9.54 N ATOM 373 CA GLU A 24 0.056 -4.219 -6.236 1.00 11.81 C ATOM 374 C GLU A 24 -0.450 -3.091 -7.067 1.00 11.14 C ATOM 375 O GLU A 24 0.336 -2.247 -7.494 1.00 10.62 O ATOM 376 CB GLU A 24 0.227 -5.396 -7.211 1.00 19.24 C ATOM 377 CG GLU A 24 1.086 -5.116 -8.446 1.00 27.76 C ATOM 378 CD GLU A 24 1.155 -6.440 -9.192 1.00 32.92 C ATOM 379 OE1 GLU A 24 1.832 -7.400 -8.733 1.00 36.51 O ATOM 380 OE2 GLU A 24 0.526 -6.555 -10.278 1.00 34.80 O ATOM 0 H GLU A 24 -1.034 -5.658 -5.227 1.00 9.54 H new ATOM 0 HA GLU A 24 0.955 -3.847 -5.745 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.666 -6.233 -6.668 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -0.761 -5.715 -7.543 1.00 19.24 H new ATOM 0 HG2 GLU A 24 0.642 -4.337 -9.066 1.00 27.76 H new ATOM 0 HG3 GLU A 24 2.081 -4.771 -8.164 1.00 27.76 H new ATOM 387 N ASN A 25 -1.762 -2.904 -7.298 1.00 9.43 N ATOM 388 CA ASN A 25 -2.304 -1.720 -7.890 1.00 10.96 C ATOM 389 C ASN A 25 -2.076 -0.524 -7.030 1.00 9.68 C ATOM 390 O ASN A 25 -1.700 0.525 -7.550 1.00 9.33 O ATOM 391 CB ASN A 25 -3.804 -1.911 -8.174 1.00 16.78 C ATOM 392 CG ASN A 25 -3.953 -2.800 -9.400 1.00 22.31 C ATOM 393 OD1 ASN A 25 -2.978 -3.240 -10.008 1.00 25.66 O ATOM 394 ND2 ASN A 25 -5.237 -2.996 -9.803 1.00 24.70 N ATOM 0 H ASN A 25 -2.470 -3.601 -7.065 1.00 9.43 H new ATOM 0 HA ASN A 25 -1.786 -1.545 -8.833 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -4.298 -2.365 -7.315 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.283 -0.947 -8.344 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -5.430 -3.532 -10.649 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -6.007 -2.607 -9.259 1.00 24.70 H new ATOM 401 N VAL A 26 -2.185 -0.637 -5.695 1.00 6.52 N ATOM 402 CA VAL A 26 -1.834 0.381 -4.754 1.00 5.53 C ATOM 403 C VAL A 26 -0.389 0.706 -4.916 1.00 4.42 C ATOM 404 O VAL A 26 0.001 1.862 -5.071 1.00 3.40 O ATOM 405 CB VAL A 26 -2.033 0.113 -3.291 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.647 1.279 -2.366 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.547 -0.117 -3.151 1.00 8.12 C ATOM 0 H VAL A 26 -2.537 -1.484 -5.248 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.535 1.178 -5.001 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.397 -0.720 -2.992 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.824 0.995 -1.329 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.592 1.517 -2.502 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.251 2.153 -2.611 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.789 -0.322 -2.108 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.082 0.774 -3.480 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.844 -0.966 -3.766 1.00 8.12 H new ATOM 417 N LYS A 27 0.487 -0.312 -4.990 1.00 2.64 N ATOM 418 CA LYS A 27 1.891 -0.116 -5.178 1.00 4.14 C ATOM 419 C LYS A 27 2.212 0.623 -6.432 1.00 5.58 C ATOM 420 O LYS A 27 3.082 1.490 -6.483 1.00 4.11 O ATOM 421 CB LYS A 27 2.747 -1.386 -5.037 1.00 3.97 C ATOM 422 CG LYS A 27 2.688 -1.998 -3.636 1.00 7.45 C ATOM 423 CD LYS A 27 3.749 -3.085 -3.448 1.00 9.02 C ATOM 424 CE LYS A 27 3.235 -4.505 -3.695 1.00 12.90 C ATOM 425 NZ LYS A 27 4.433 -5.373 -3.743 1.00 15.47 N ATOM 0 H LYS A 27 0.214 -1.292 -4.918 1.00 2.64 H new ATOM 0 HA LYS A 27 2.176 0.518 -4.339 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.412 -2.125 -5.764 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.783 -1.148 -5.279 1.00 3.97 H new ATOM 0 HG2 LYS A 27 2.832 -1.216 -2.891 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.698 -2.422 -3.465 1.00 7.45 H new ATOM 0 HD2 LYS A 27 4.581 -2.888 -4.125 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.142 -3.023 -2.433 1.00 9.02 H new ATOM 0 HE2 LYS A 27 2.558 -4.818 -2.900 1.00 12.90 H new ATOM 0 HE3 LYS A 27 2.676 -4.560 -4.629 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.213 -6.239 -4.276 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 5.210 -4.866 -4.212 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 4.718 -5.625 -2.775 1.00 15.47 H new ATOM 439 N ALA A 28 1.506 0.341 -7.542 1.00 6.61 N ATOM 440 CA ALA A 28 1.595 1.100 -8.751 1.00 7.74 C ATOM 441 C ALA A 28 0.997 2.463 -8.807 1.00 9.17 C ATOM 442 O ALA A 28 1.304 3.322 -9.633 1.00 11.45 O ATOM 443 CB ALA A 28 1.039 0.234 -9.894 1.00 7.68 C ATOM 0 H ALA A 28 0.852 -0.440 -7.600 1.00 6.61 H new ATOM 0 HA ALA A 28 2.657 1.330 -8.834 1.00 7.74 H new ATOM 0 HB1 ALA A 28 1.094 0.789 -10.831 1.00 7.68 H new ATOM 0 HB2 ALA A 28 1.628 -0.680 -9.978 1.00 7.68 H new ATOM 0 HB3 ALA A 28 0.000 -0.022 -9.685 1.00 7.68 H new ATOM 449 N LYS A 29 0.070 2.754 -7.877 1.00 8.96 N ATOM 450 CA LYS A 29 -0.413 4.078 -7.634 1.00 7.90 C ATOM 451 C LYS A 29 0.553 5.060 -7.067 1.00 6.92 C ATOM 452 O LYS A 29 0.806 6.175 -7.522 1.00 6.87 O ATOM 453 CB LYS A 29 -1.772 3.982 -6.919 1.00 10.28 C ATOM 454 CG LYS A 29 -2.604 5.228 -7.232 1.00 14.94 C ATOM 455 CD LYS A 29 -3.511 5.093 -8.456 1.00 19.69 C ATOM 456 CE LYS A 29 -4.703 4.169 -8.202 1.00 22.63 C ATOM 457 NZ LYS A 29 -5.621 4.201 -9.363 1.00 24.98 N ATOM 0 H LYS A 29 -0.356 2.048 -7.277 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.561 4.551 -8.605 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -2.303 3.087 -7.243 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.623 3.892 -5.843 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -3.219 5.466 -6.364 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -1.930 6.071 -7.386 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -3.875 6.079 -8.745 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -2.930 4.709 -9.294 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -4.355 3.150 -8.031 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -5.231 4.481 -7.301 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -6.429 3.571 -9.184 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -5.964 5.172 -9.507 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -5.115 3.882 -10.214 1.00 24.98 H new ATOM 471 N ILE A 30 1.291 4.545 -6.068 1.00 4.57 N ATOM 472 CA ILE A 30 2.318 5.196 -5.315 1.00 5.58 C ATOM 473 C ILE A 30 3.516 5.304 -6.195 1.00 7.26 C ATOM 474 O ILE A 30 4.125 6.371 -6.260 1.00 9.46 O ATOM 475 CB ILE A 30 2.728 4.327 -4.163 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.581 4.125 -3.159 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.003 4.632 -3.359 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.746 2.933 -2.216 1.00 2.00 C ATOM 0 H ILE A 30 1.154 3.582 -5.760 1.00 4.57 H new ATOM 0 HA ILE A 30 1.957 6.163 -4.964 1.00 5.58 H new ATOM 0 HB ILE A 30 2.991 3.432 -4.727 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.479 5.030 -2.561 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.651 4.003 -3.714 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.122 3.889 -2.571 1.00 2.78 H new ATOM 0 HG22 ILE A 30 4.868 4.600 -4.022 1.00 2.78 H new ATOM 0 HG23 ILE A 30 3.924 5.624 -2.914 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.887 2.876 -1.548 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.814 2.015 -2.799 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.655 3.057 -1.628 1.00 2.00 H new ATOM 490 N GLN A 31 3.881 4.255 -6.954 1.00 7.06 N ATOM 491 CA GLN A 31 4.879 4.356 -7.973 1.00 8.67 C ATOM 492 C GLN A 31 4.776 5.489 -8.935 1.00 10.90 C ATOM 493 O GLN A 31 5.753 6.158 -9.268 1.00 9.63 O ATOM 494 CB GLN A 31 5.036 3.047 -8.765 1.00 9.12 C ATOM 495 CG GLN A 31 6.007 3.119 -9.945 1.00 10.76 C ATOM 496 CD GLN A 31 5.844 1.901 -10.843 1.00 13.78 C ATOM 497 OE1 GLN A 31 4.721 1.417 -10.972 1.00 14.48 O ATOM 498 NE2 GLN A 31 6.933 1.302 -11.395 1.00 14.76 N ATOM 0 H GLN A 31 3.477 3.323 -6.859 1.00 7.06 H new ATOM 0 HA GLN A 31 5.765 4.571 -7.376 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.373 2.266 -8.084 1.00 9.12 H new ATOM 0 HB3 GLN A 31 4.057 2.745 -9.137 1.00 9.12 H new ATOM 0 HG2 GLN A 31 5.825 4.028 -10.518 1.00 10.76 H new ATOM 0 HG3 GLN A 31 7.032 3.173 -9.578 1.00 10.76 H new ATOM 0 HE21 GLN A 31 7.857 1.717 -11.278 1.00 14.76 H new ATOM 0 HE22 GLN A 31 6.825 0.438 -11.926 1.00 14.76 H new ATOM 507 N ASP A 32 3.555 5.735 -9.442 1.00 10.93 N ATOM 508 CA ASP A 32 3.146 6.871 -10.209 1.00 14.01 C ATOM 509 C ASP A 32 3.133 8.204 -9.544 1.00 14.04 C ATOM 510 O ASP A 32 3.892 9.049 -10.018 1.00 13.39 O ATOM 511 CB ASP A 32 1.760 6.565 -10.801 1.00 18.01 C ATOM 512 CG ASP A 32 1.365 7.468 -11.961 1.00 24.33 C ATOM 513 OD1 ASP A 32 2.081 7.416 -12.996 1.00 25.17 O ATOM 514 OD2 ASP A 32 0.464 8.342 -11.855 1.00 26.29 O ATOM 0 H ASP A 32 2.787 5.079 -9.302 1.00 10.93 H new ATOM 0 HA ASP A 32 3.928 6.994 -10.958 1.00 14.01 H new ATOM 0 HB2 ASP A 32 1.742 5.529 -11.139 1.00 18.01 H new ATOM 0 HB3 ASP A 32 1.012 6.656 -10.013 1.00 18.01 H new ATOM 519 N LYS A 33 2.414 8.431 -8.430 1.00 14.22 N ATOM 520 CA LYS A 33 2.524 9.671 -7.727 1.00 14.00 C ATOM 521 C LYS A 33 3.837 9.998 -7.104 1.00 12.37 C ATOM 522 O LYS A 33 4.479 11.021 -7.340 1.00 12.17 O ATOM 523 CB LYS A 33 1.350 9.886 -6.757 1.00 18.62 C ATOM 524 CG LYS A 33 -0.033 10.208 -7.326 1.00 24.00 C ATOM 525 CD LYS A 33 -1.091 10.339 -6.229 1.00 27.61 C ATOM 526 CE LYS A 33 -2.422 10.563 -6.950 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.511 11.891 -7.596 1.00 30.06 N ATOM 0 H LYS A 33 1.762 7.763 -8.019 1.00 14.22 H new ATOM 0 HA LYS A 33 2.465 10.404 -8.531 1.00 14.00 H new ATOM 0 HB2 LYS A 33 1.255 8.985 -6.151 1.00 18.62 H new ATOM 0 HB3 LYS A 33 1.625 10.697 -6.082 1.00 18.62 H new ATOM 0 HG2 LYS A 33 0.017 11.137 -7.894 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -0.329 9.424 -8.023 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.127 9.440 -5.613 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -0.862 11.172 -5.564 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -2.555 9.788 -7.705 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -3.239 10.457 -6.236 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -3.501 12.091 -7.844 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.165 12.620 -6.940 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.930 11.897 -8.458 1.00 30.06 H new ATOM 541 N GLU A 34 4.290 9.103 -6.209 1.00 10.11 N ATOM 542 CA GLU A 34 5.494 9.284 -5.457 1.00 10.07 C ATOM 543 C GLU A 34 6.722 9.051 -6.269 1.00 9.32 C ATOM 544 O GLU A 34 7.452 9.998 -6.554 1.00 11.61 O ATOM 545 CB GLU A 34 5.381 8.514 -4.130 1.00 14.77 C ATOM 546 CG GLU A 34 6.296 8.990 -3.000 1.00 18.75 C ATOM 547 CD GLU A 34 6.161 10.377 -2.389 1.00 22.28 C ATOM 548 OE1 GLU A 34 6.281 11.466 -3.012 1.00 21.95 O ATOM 549 OE2 GLU A 34 5.860 10.451 -1.168 1.00 25.19 O ATOM 0 H GLU A 34 3.806 8.229 -6.002 1.00 10.11 H new ATOM 0 HA GLU A 34 5.616 10.331 -5.179 1.00 10.07 H new ATOM 0 HB2 GLU A 34 4.349 8.573 -3.785 1.00 14.77 H new ATOM 0 HB3 GLU A 34 5.592 7.462 -4.324 1.00 14.77 H new ATOM 0 HG2 GLU A 34 6.188 8.275 -2.185 1.00 18.75 H new ATOM 0 HG3 GLU A 34 7.319 8.905 -3.366 1.00 18.75 H new ATOM 556 N GLY A 35 6.946 7.788 -6.673 1.00 7.22 N ATOM 557 CA GLY A 35 8.133 7.459 -7.399 1.00 6.29 C ATOM 558 C GLY A 35 8.991 6.500 -6.648 1.00 6.93 C ATOM 559 O GLY A 35 10.210 6.447 -6.797 1.00 7.41 O ATOM 0 H GLY A 35 6.316 7.005 -6.500 1.00 7.22 H new ATOM 0 HA2 GLY A 35 7.862 7.027 -8.363 1.00 6.29 H new ATOM 0 HA3 GLY A 35 8.698 8.368 -7.604 1.00 6.29 H new ATOM 563 N ILE A 36 8.367 5.684 -5.779 1.00 5.86 N ATOM 564 CA ILE A 36 8.955 4.619 -5.027 1.00 6.07 C ATOM 565 C ILE A 36 8.942 3.333 -5.779 1.00 6.36 C ATOM 566 O ILE A 36 7.828 2.995 -6.175 1.00 6.18 O ATOM 567 CB ILE A 36 8.404 4.536 -3.635 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.578 5.818 -2.803 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.215 3.464 -2.888 1.00 7.36 C ATOM 570 CD1 ILE A 36 7.778 5.807 -1.501 1.00 9.49 C ATOM 0 H ILE A 36 7.369 5.779 -5.588 1.00 5.86 H new ATOM 0 HA ILE A 36 10.011 4.852 -4.890 1.00 6.07 H new ATOM 0 HB ILE A 36 7.338 4.333 -3.739 1.00 7.47 H new ATOM 0 HG12 ILE A 36 9.635 5.952 -2.571 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.272 6.676 -3.402 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.844 3.373 -1.867 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.111 2.507 -3.399 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.266 3.752 -2.867 1.00 7.36 H new ATOM 0 HD11 ILE A 36 7.946 6.740 -0.963 1.00 9.49 H new ATOM 0 HD12 ILE A 36 6.717 5.704 -1.727 1.00 9.49 H new ATOM 0 HD13 ILE A 36 8.100 4.969 -0.883 1.00 9.49 H new ATOM 582 N PRO A 37 9.964 2.570 -6.031 1.00 8.65 N ATOM 583 CA PRO A 37 9.774 1.421 -6.868 1.00 9.18 C ATOM 584 C PRO A 37 8.990 0.343 -6.201 1.00 9.85 C ATOM 585 O PRO A 37 8.958 0.292 -4.973 1.00 8.51 O ATOM 586 CB PRO A 37 11.193 0.904 -7.094 1.00 11.42 C ATOM 587 CG PRO A 37 12.025 2.192 -7.199 1.00 9.27 C ATOM 588 CD PRO A 37 11.321 3.080 -6.161 1.00 8.33 C ATOM 0 HA PRO A 37 9.226 1.688 -7.772 1.00 9.18 H new ATOM 0 HB2 PRO A 37 11.528 0.275 -6.270 1.00 11.42 H new ATOM 0 HB3 PRO A 37 11.263 0.304 -8.002 1.00 11.42 H new ATOM 0 HG2 PRO A 37 13.075 2.026 -6.956 1.00 9.27 H new ATOM 0 HG3 PRO A 37 11.994 2.623 -8.200 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.842 3.045 -5.204 1.00 8.33 H new ATOM 0 HD3 PRO A 37 11.315 4.122 -6.482 1.00 8.33 H new ATOM 596 N PRO A 38 8.310 -0.529 -6.884 1.00 8.71 N ATOM 597 CA PRO A 38 7.400 -1.446 -6.262 1.00 9.08 C ATOM 598 C PRO A 38 8.155 -2.460 -5.474 1.00 9.28 C ATOM 599 O PRO A 38 7.525 -3.040 -4.591 1.00 6.50 O ATOM 600 CB PRO A 38 6.560 -1.975 -7.423 1.00 10.31 C ATOM 601 CG PRO A 38 6.477 -0.831 -8.445 1.00 10.81 C ATOM 602 CD PRO A 38 7.827 -0.137 -8.199 1.00 12.00 C ATOM 0 HA PRO A 38 6.736 -1.011 -5.515 1.00 9.08 H new ATOM 0 HB2 PRO A 38 7.019 -2.860 -7.865 1.00 10.31 H new ATOM 0 HB3 PRO A 38 5.566 -2.267 -7.084 1.00 10.31 H new ATOM 0 HG2 PRO A 38 6.378 -1.195 -9.468 1.00 10.81 H new ATOM 0 HG3 PRO A 38 5.631 -0.170 -8.259 1.00 10.81 H new ATOM 0 HD2 PRO A 38 8.546 -0.421 -8.968 1.00 12.00 H new ATOM 0 HD3 PRO A 38 7.713 0.946 -8.254 1.00 12.00 H new ATOM 610 N ASP A 39 9.477 -2.591 -5.688 1.00 11.20 N ATOM 611 CA ASP A 39 10.242 -3.517 -4.911 1.00 14.96 C ATOM 612 C ASP A 39 10.772 -2.990 -3.622 1.00 13.99 C ATOM 613 O ASP A 39 11.014 -3.693 -2.643 1.00 13.75 O ATOM 614 CB ASP A 39 11.435 -4.060 -5.716 1.00 24.16 C ATOM 615 CG ASP A 39 12.158 -2.951 -6.468 1.00 31.06 C ATOM 616 OD1 ASP A 39 11.638 -2.550 -7.544 1.00 35.55 O ATOM 617 OD2 ASP A 39 13.318 -2.594 -6.132 1.00 34.22 O ATOM 0 H ASP A 39 10.008 -2.068 -6.384 1.00 11.20 H new ATOM 0 HA ASP A 39 9.522 -4.299 -4.668 1.00 14.96 H new ATOM 0 HB2 ASP A 39 12.133 -4.558 -5.042 1.00 24.16 H new ATOM 0 HB3 ASP A 39 11.085 -4.811 -6.424 1.00 24.16 H new ATOM 622 N GLN A 40 10.773 -1.650 -3.506 1.00 11.60 N ATOM 623 CA GLN A 40 11.264 -0.955 -2.356 1.00 10.76 C ATOM 624 C GLN A 40 10.119 -0.669 -1.446 1.00 8.01 C ATOM 625 O GLN A 40 10.311 -0.605 -0.233 1.00 8.96 O ATOM 626 CB GLN A 40 11.993 0.360 -2.676 1.00 11.14 C ATOM 627 CG GLN A 40 12.648 0.973 -1.437 1.00 14.85 C ATOM 628 CD GLN A 40 13.248 2.348 -1.695 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.292 2.935 -2.775 1.00 20.52 O ATOM 630 NE2 GLN A 40 13.656 2.953 -0.548 1.00 18.16 N ATOM 0 H GLN A 40 10.421 -1.030 -4.236 1.00 11.60 H new ATOM 0 HA GLN A 40 12.003 -1.607 -1.890 1.00 10.76 H new ATOM 0 HB2 GLN A 40 12.754 0.176 -3.434 1.00 11.14 H new ATOM 0 HB3 GLN A 40 11.285 1.072 -3.101 1.00 11.14 H new ATOM 0 HG2 GLN A 40 11.906 1.051 -0.642 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.430 0.304 -1.079 1.00 14.85 H new ATOM 0 HE21 GLN A 40 13.612 2.449 0.338 1.00 18.16 H new ATOM 0 HE22 GLN A 40 14.006 3.911 -0.573 1.00 18.16 H new ATOM 639 N GLN A 41 8.938 -0.395 -2.028 1.00 6.52 N ATOM 640 CA GLN A 41 7.737 -0.210 -1.275 1.00 3.87 C ATOM 641 C GLN A 41 7.332 -1.454 -0.561 1.00 4.79 C ATOM 642 O GLN A 41 7.324 -2.552 -1.115 1.00 6.34 O ATOM 643 CB GLN A 41 6.555 0.097 -2.211 1.00 4.20 C ATOM 644 CG GLN A 41 6.615 1.430 -2.961 1.00 3.20 C ATOM 645 CD GLN A 41 5.310 1.551 -3.734 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.227 1.282 -3.218 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.383 1.937 -5.036 1.00 7.13 N ATOM 0 H GLN A 41 8.815 -0.300 -3.036 1.00 6.52 H new ATOM 0 HA GLN A 41 7.949 0.601 -0.579 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.482 -0.706 -2.945 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.638 0.076 -1.623 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.732 2.261 -2.266 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.470 1.457 -3.637 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.288 2.158 -5.453 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.533 2.006 -5.596 1.00 7.13 H new ATOM 656 N ARG A 42 6.934 -1.391 0.722 1.00 5.73 N ATOM 657 CA ARG A 42 6.173 -2.474 1.264 1.00 6.97 C ATOM 658 C ARG A 42 5.111 -1.864 2.113 1.00 7.15 C ATOM 659 O ARG A 42 5.423 -0.911 2.825 1.00 7.33 O ATOM 660 CB ARG A 42 7.014 -3.275 2.273 1.00 13.23 C ATOM 661 CG ARG A 42 6.304 -4.472 2.909 1.00 21.27 C ATOM 662 CD ARG A 42 5.892 -5.731 2.143 1.00 26.14 C ATOM 663 NE ARG A 42 7.162 -6.144 1.482 1.00 32.26 N ATOM 664 CZ ARG A 42 7.179 -7.183 0.596 1.00 34.32 C ATOM 665 NH1 ARG A 42 6.092 -7.968 0.339 1.00 35.30 N ATOM 666 NH2 ARG A 42 8.353 -7.550 0.004 1.00 36.39 N ATOM 0 H ARG A 42 7.129 -0.622 1.364 1.00 5.73 H new ATOM 0 HA ARG A 42 5.819 -3.099 0.444 1.00 6.97 H new ATOM 0 HB2 ARG A 42 7.913 -3.632 1.770 1.00 13.23 H new ATOM 0 HB3 ARG A 42 7.338 -2.602 3.067 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.945 -4.808 3.724 1.00 21.27 H new ATOM 0 HG3 ARG A 42 5.393 -4.080 3.362 1.00 21.27 H new ATOM 0 HD2 ARG A 42 5.513 -6.505 2.810 1.00 26.14 H new ATOM 0 HD3 ARG A 42 5.106 -5.524 1.416 1.00 26.14 H new ATOM 0 HE ARG A 42 8.027 -5.646 1.693 1.00 32.26 H new ATOM 0 HH11 ARG A 42 5.210 -7.791 0.820 1.00 35.30 H new ATOM 0 HH12 ARG A 42 6.162 -8.732 -0.334 1.00 35.30 H new ATOM 0 HH21 ARG A 42 9.214 -7.049 0.224 1.00 36.39 H new ATOM 0 HH22 ARG A 42 8.370 -8.326 -0.658 1.00 36.39 H new ATOM 680 N LEU A 43 3.839 -2.266 1.949 1.00 4.65 N ATOM 681 CA LEU A 43 2.676 -1.811 2.646 1.00 3.51 C ATOM 682 C LEU A 43 2.334 -2.666 3.817 1.00 5.56 C ATOM 683 O LEU A 43 2.326 -3.894 3.747 1.00 4.19 O ATOM 684 CB LEU A 43 1.482 -1.658 1.689 1.00 3.74 C ATOM 685 CG LEU A 43 1.696 -0.557 0.637 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.786 -0.675 -0.597 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.587 0.859 1.227 1.00 9.55 C ATOM 0 H LEU A 43 3.604 -2.980 1.260 1.00 4.65 H new ATOM 0 HA LEU A 43 2.915 -0.827 3.048 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.304 -2.607 1.183 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.586 -1.432 2.267 1.00 3.74 H new ATOM 0 HG LEU A 43 2.719 -0.720 0.298 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.002 0.140 -1.288 1.00 6.41 H new ATOM 0 HD12 LEU A 43 0.967 -1.629 -1.093 1.00 6.41 H new ATOM 0 HD13 LEU A 43 -0.257 -0.620 -0.286 1.00 6.41 H new ATOM 0 HD21 LEU A 43 1.747 1.595 0.439 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.596 0.998 1.658 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.341 0.989 2.003 1.00 9.55 H new ATOM 699 N ILE A 44 2.001 -2.039 4.960 1.00 4.58 N ATOM 700 CA ILE A 44 1.804 -2.713 6.205 1.00 5.55 C ATOM 701 C ILE A 44 0.452 -2.168 6.515 1.00 5.46 C ATOM 702 O ILE A 44 0.195 -0.979 6.333 1.00 6.04 O ATOM 703 CB ILE A 44 2.775 -2.493 7.327 1.00 6.80 C ATOM 704 CG1 ILE A 44 4.143 -3.008 6.851 1.00 10.31 C ATOM 705 CG2 ILE A 44 2.251 -3.208 8.584 1.00 7.39 C ATOM 706 CD1 ILE A 44 5.256 -3.180 7.883 1.00 13.90 C ATOM 0 H ILE A 44 1.865 -1.030 5.019 1.00 4.58 H new ATOM 0 HA ILE A 44 1.938 -3.791 6.112 1.00 5.55 H new ATOM 0 HB ILE A 44 2.884 -1.442 7.594 1.00 6.80 H new ATOM 0 HG12 ILE A 44 3.985 -3.973 6.370 1.00 10.31 H new ATOM 0 HG13 ILE A 44 4.506 -2.325 6.083 1.00 10.31 H new ATOM 0 HG21 ILE A 44 2.949 -3.055 9.407 1.00 7.39 H new ATOM 0 HG22 ILE A 44 1.277 -2.801 8.854 1.00 7.39 H new ATOM 0 HG23 ILE A 44 2.156 -4.275 8.383 1.00 7.39 H new ATOM 0 HD11 ILE A 44 6.155 -3.550 7.390 1.00 13.90 H new ATOM 0 HD12 ILE A 44 5.468 -2.220 8.352 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.940 -3.894 8.644 1.00 13.90 H new ATOM 718 N PHE A 45 -0.534 -2.997 6.902 1.00 6.75 N ATOM 719 CA PHE A 45 -1.755 -2.524 7.478 1.00 4.70 C ATOM 720 C PHE A 45 -1.819 -3.043 8.873 1.00 6.34 C ATOM 721 O PHE A 45 -1.566 -4.215 9.145 1.00 5.45 O ATOM 722 CB PHE A 45 -2.971 -2.993 6.662 1.00 5.51 C ATOM 723 CG PHE A 45 -4.289 -2.405 7.031 1.00 5.98 C ATOM 724 CD1 PHE A 45 -4.407 -1.041 7.163 1.00 6.86 C ATOM 725 CD2 PHE A 45 -5.349 -3.235 7.311 1.00 5.87 C ATOM 726 CE1 PHE A 45 -5.610 -0.547 7.611 1.00 6.68 C ATOM 727 CE2 PHE A 45 -6.542 -2.711 7.750 1.00 6.64 C ATOM 728 CZ PHE A 45 -6.680 -1.353 7.918 1.00 6.84 C ATOM 0 H PHE A 45 -0.483 -4.012 6.814 1.00 6.75 H new ATOM 0 HA PHE A 45 -1.777 -1.434 7.475 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.782 -2.773 5.611 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -3.044 -4.077 6.752 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -3.585 -0.382 6.924 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -5.244 -4.303 7.186 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -5.719 0.521 7.727 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -7.373 -3.367 7.963 1.00 6.64 H new ATOM 0 HZ PHE A 45 -7.605 -0.931 8.282 1.00 6.84 H new ATOM 738 N ALA A 46 -2.105 -2.194 9.877 1.00 6.53 N ATOM 739 CA ALA A 46 -2.021 -2.581 11.251 1.00 7.15 C ATOM 740 C ALA A 46 -0.735 -3.169 11.720 1.00 9.00 C ATOM 741 O ALA A 46 0.286 -2.502 11.879 1.00 11.15 O ATOM 742 CB ALA A 46 -3.242 -3.416 11.671 1.00 8.99 C ATOM 0 H ALA A 46 -2.398 -1.228 9.733 1.00 6.53 H new ATOM 0 HA ALA A 46 -2.036 -1.630 11.783 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -3.149 -3.695 12.721 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -4.150 -2.829 11.531 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -3.294 -4.317 11.060 1.00 8.99 H new ATOM 748 N GLY A 47 -0.716 -4.479 12.024 1.00 9.35 N ATOM 749 CA GLY A 47 0.368 -5.333 12.398 1.00 11.68 C ATOM 750 C GLY A 47 0.929 -6.149 11.284 1.00 11.14 C ATOM 751 O GLY A 47 1.967 -6.769 11.510 1.00 13.93 O ATOM 0 H GLY A 47 -1.588 -5.008 12.003 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.166 -4.722 12.820 1.00 11.68 H new ATOM 0 HA3 GLY A 47 0.029 -6.004 13.187 1.00 11.68 H new ATOM 755 N LYS A 48 0.363 -6.197 10.065 1.00 10.47 N ATOM 756 CA LYS A 48 0.509 -7.181 9.038 1.00 8.82 C ATOM 757 C LYS A 48 0.896 -6.597 7.723 1.00 7.68 C ATOM 758 O LYS A 48 0.367 -5.566 7.308 1.00 6.47 O ATOM 759 CB LYS A 48 -0.699 -8.122 8.896 1.00 9.74 C ATOM 760 CG LYS A 48 -0.811 -9.150 10.024 1.00 14.14 C ATOM 761 CD LYS A 48 -2.042 -10.055 10.117 1.00 16.32 C ATOM 762 CE LYS A 48 -3.331 -9.391 10.604 1.00 20.04 C ATOM 763 NZ LYS A 48 -4.419 -10.385 10.739 1.00 23.92 N ATOM 0 H LYS A 48 -0.272 -5.456 9.768 1.00 10.47 H new ATOM 0 HA LYS A 48 1.339 -7.800 9.377 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -1.611 -7.526 8.867 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -0.630 -8.647 7.943 1.00 9.74 H new ATOM 0 HG2 LYS A 48 0.063 -9.798 9.960 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -0.737 -8.607 10.966 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -2.228 -10.483 9.132 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -1.809 -10.883 10.786 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -3.155 -8.906 11.564 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -3.630 -8.611 9.904 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -5.283 -9.911 11.071 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -4.600 -10.829 9.816 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -4.139 -11.115 11.425 1.00 23.92 H new ATOM 777 N GLN A 49 1.721 -7.383 7.010 1.00 8.89 N ATOM 778 CA GLN A 49 2.273 -6.972 5.756 1.00 7.18 C ATOM 779 C GLN A 49 1.428 -7.589 4.695 1.00 8.23 C ATOM 780 O GLN A 49 1.189 -8.796 4.710 1.00 9.70 O ATOM 781 CB GLN A 49 3.730 -7.419 5.551 1.00 11.67 C ATOM 782 CG GLN A 49 4.717 -6.606 6.392 1.00 15.82 C ATOM 783 CD GLN A 49 6.092 -7.248 6.274 1.00 20.21 C ATOM 784 OE1 GLN A 49 6.572 -7.318 5.144 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.623 -7.831 7.382 1.00 20.67 N ATOM 0 H GLN A 49 2.009 -8.315 7.307 1.00 8.89 H new ATOM 0 HA GLN A 49 2.279 -5.883 5.722 1.00 7.18 H new ATOM 0 HB2 GLN A 49 3.822 -8.474 5.808 1.00 11.67 H new ATOM 0 HB3 GLN A 49 3.991 -7.323 4.497 1.00 11.67 H new ATOM 0 HG2 GLN A 49 4.750 -5.573 6.045 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.398 -6.582 7.434 1.00 15.82 H new ATOM 0 HE21 GLN A 49 6.161 -7.724 8.285 1.00 20.67 H new ATOM 0 HE22 GLN A 49 7.483 -8.375 7.310 1.00 20.67 H new ATOM 794 N LEU A 50 0.866 -6.784 3.776 1.00 6.51 N ATOM 795 CA LEU A 50 -0.157 -7.245 2.890 1.00 7.41 C ATOM 796 C LEU A 50 0.399 -7.830 1.637 1.00 8.27 C ATOM 797 O LEU A 50 1.334 -7.273 1.064 1.00 8.34 O ATOM 798 CB LEU A 50 -0.998 -6.082 2.336 1.00 7.13 C ATOM 799 CG LEU A 50 -1.701 -5.158 3.345 1.00 7.53 C ATOM 800 CD1 LEU A 50 -2.174 -5.975 4.560 1.00 9.11 C ATOM 801 CD2 LEU A 50 -0.739 -3.982 3.579 1.00 8.14 C ATOM 0 H LEU A 50 1.123 -5.805 3.646 1.00 6.51 H new ATOM 0 HA LEU A 50 -0.720 -7.957 3.493 1.00 7.41 H new ATOM 0 HB2 LEU A 50 -0.348 -5.466 1.715 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -1.760 -6.503 1.681 1.00 7.13 H new ATOM 0 HG LEU A 50 -2.636 -4.716 3.000 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -2.671 -5.315 5.271 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -2.871 -6.745 4.231 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.315 -6.444 5.040 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -1.182 -3.285 4.291 1.00 8.14 H new ATOM 0 HD22 LEU A 50 0.204 -4.357 3.977 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -0.555 -3.469 2.635 1.00 8.14 H new ATOM 813 N GLU A 51 -0.229 -8.895 1.108 1.00 9.43 N ATOM 814 CA GLU A 51 0.270 -9.526 -0.074 1.00 11.90 C ATOM 815 C GLU A 51 -0.139 -8.977 -1.397 1.00 11.49 C ATOM 816 O GLU A 51 -1.242 -8.490 -1.641 1.00 9.88 O ATOM 817 CB GLU A 51 0.080 -11.048 -0.194 1.00 16.56 C ATOM 818 CG GLU A 51 0.748 -11.837 0.934 1.00 26.06 C ATOM 819 CD GLU A 51 2.269 -11.809 0.969 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.950 -11.927 -0.084 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.805 -11.851 2.108 1.00 32.13 O ATOM 0 H GLU A 51 -1.074 -9.316 1.494 1.00 9.43 H new ATOM 0 HA GLU A 51 1.313 -9.276 0.121 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -0.986 -11.274 -0.202 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.484 -11.382 -1.149 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.377 -11.455 1.885 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.427 -12.876 0.861 1.00 26.06 H new ATOM 828 N ASP A 52 0.756 -9.127 -2.389 1.00 12.71 N ATOM 829 CA ASP A 52 0.768 -8.622 -3.727 1.00 16.56 C ATOM 830 C ASP A 52 -0.504 -8.615 -4.503 1.00 15.83 C ATOM 831 O ASP A 52 -0.927 -7.565 -4.983 1.00 17.21 O ATOM 832 CB ASP A 52 1.820 -9.371 -4.562 1.00 21.05 C ATOM 833 CG ASP A 52 3.254 -9.035 -4.177 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.580 -7.831 -4.358 1.00 25.82 O ATOM 835 OD2 ASP A 52 4.038 -9.908 -3.719 1.00 28.37 O ATOM 0 H ASP A 52 1.592 -9.686 -2.221 1.00 12.71 H new ATOM 0 HA ASP A 52 0.993 -7.568 -3.565 1.00 16.56 H new ATOM 0 HB2 ASP A 52 1.664 -10.444 -4.450 1.00 21.05 H new ATOM 0 HB3 ASP A 52 1.671 -9.136 -5.616 1.00 21.05 H new ATOM 840 N GLY A 53 -1.028 -9.826 -4.765 1.00 15.00 N ATOM 841 CA GLY A 53 -2.135 -10.019 -5.649 1.00 11.77 C ATOM 842 C GLY A 53 -3.383 -10.316 -4.891 1.00 11.10 C ATOM 843 O GLY A 53 -4.097 -11.292 -5.121 1.00 11.25 O ATOM 0 H GLY A 53 -0.675 -10.690 -4.353 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -2.279 -9.125 -6.256 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -1.918 -10.839 -6.334 1.00 11.77 H new ATOM 847 N ARG A 54 -3.785 -9.523 -3.882 1.00 8.53 N ATOM 848 CA ARG A 54 -4.992 -9.555 -3.116 1.00 9.05 C ATOM 849 C ARG A 54 -5.657 -8.225 -3.213 1.00 8.96 C ATOM 850 O ARG A 54 -4.928 -7.359 -3.694 1.00 11.60 O ATOM 851 CB ARG A 54 -4.556 -9.689 -1.647 1.00 7.97 C ATOM 852 CG ARG A 54 -3.765 -10.943 -1.269 1.00 9.62 C ATOM 853 CD ARG A 54 -4.467 -12.302 -1.325 1.00 12.20 C ATOM 854 NE ARG A 54 -3.482 -13.404 -1.141 1.00 18.23 N ATOM 855 CZ ARG A 54 -3.447 -14.244 -0.066 1.00 22.08 C ATOM 856 NH1 ARG A 54 -4.124 -14.014 1.097 1.00 23.38 N ATOM 857 NH2 ARG A 54 -2.488 -15.216 -0.071 1.00 25.50 N ATOM 0 H ARG A 54 -3.182 -8.763 -3.566 1.00 8.53 H new ATOM 0 HA ARG A 54 -5.650 -10.354 -3.458 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -3.952 -8.818 -1.392 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -5.449 -9.651 -1.024 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -2.895 -10.994 -1.923 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -3.393 -10.805 -0.254 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -5.231 -12.356 -0.550 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -4.976 -12.416 -2.282 1.00 12.20 H new ATOM 0 HE ARG A 54 -2.783 -13.541 -1.871 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -4.696 -13.175 1.197 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -4.058 -14.681 1.866 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -1.840 -15.289 -0.855 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -2.420 -15.869 0.709 1.00 25.50 H new ATOM 871 N THR A 55 -6.879 -7.991 -2.703 1.00 9.05 N ATOM 872 CA THR A 55 -7.417 -6.667 -2.739 1.00 9.03 C ATOM 873 C THR A 55 -7.557 -6.045 -1.392 1.00 8.15 C ATOM 874 O THR A 55 -7.342 -6.653 -0.344 1.00 5.91 O ATOM 875 CB THR A 55 -8.779 -6.695 -3.366 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.697 -7.534 -2.681 1.00 11.95 O ATOM 877 CG2 THR A 55 -8.733 -7.280 -4.788 1.00 11.71 C ATOM 0 H THR A 55 -7.480 -8.696 -2.277 1.00 9.05 H new ATOM 0 HA THR A 55 -6.710 -6.071 -3.316 1.00 9.03 H new ATOM 0 HB THR A 55 -9.098 -5.653 -3.340 1.00 11.15 H new ATOM 0 HG1 THR A 55 -9.548 -8.466 -2.944 1.00 11.95 H new ATOM 0 HG21 THR A 55 -9.737 -7.285 -5.212 1.00 11.71 H new ATOM 0 HG22 THR A 55 -8.079 -6.670 -5.411 1.00 11.71 H new ATOM 0 HG23 THR A 55 -8.350 -8.300 -4.750 1.00 11.71 H new ATOM 885 N LEU A 56 -7.966 -4.779 -1.589 1.00 6.91 N ATOM 886 CA LEU A 56 -8.419 -3.948 -0.517 1.00 8.29 C ATOM 887 C LEU A 56 -9.587 -4.507 0.220 1.00 8.05 C ATOM 888 O LEU A 56 -9.629 -4.570 1.448 1.00 10.17 O ATOM 889 CB LEU A 56 -8.691 -2.490 -0.924 1.00 6.60 C ATOM 890 CG LEU A 56 -7.434 -1.772 -1.444 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.863 -0.517 -2.222 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.416 -1.364 -0.365 1.00 9.85 C ATOM 0 H LEU A 56 -7.983 -4.326 -2.503 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.571 -3.937 0.167 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.460 -2.471 -1.696 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -9.086 -1.946 -0.066 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.921 -2.498 -2.074 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.979 -0.000 -2.595 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.495 -0.808 -3.061 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -8.420 0.148 -1.562 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.568 -0.866 -0.835 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.889 -0.684 0.343 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -6.068 -2.253 0.162 1.00 9.85 H new ATOM 904 N SER A 57 -10.542 -5.083 -0.531 1.00 8.92 N ATOM 905 CA SER A 57 -11.703 -5.707 0.025 1.00 9.00 C ATOM 906 C SER A 57 -11.416 -6.985 0.735 1.00 9.44 C ATOM 907 O SER A 57 -11.928 -7.206 1.831 1.00 10.91 O ATOM 908 CB SER A 57 -12.811 -5.937 -1.017 1.00 10.32 C ATOM 909 OG SER A 57 -14.066 -6.330 -0.484 1.00 13.59 O ATOM 0 H SER A 57 -10.507 -5.116 -1.550 1.00 8.92 H new ATOM 0 HA SER A 57 -12.059 -4.990 0.765 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.948 -5.019 -1.588 1.00 10.32 H new ATOM 0 HB3 SER A 57 -12.476 -6.701 -1.718 1.00 10.32 H new ATOM 0 HG SER A 57 -14.708 -6.452 -1.214 1.00 13.59 H new ATOM 915 N ASP A 58 -10.458 -7.810 0.275 1.00 9.11 N ATOM 916 CA ASP A 58 -10.062 -9.052 0.862 1.00 7.91 C ATOM 917 C ASP A 58 -9.508 -8.929 2.239 1.00 9.12 C ATOM 918 O ASP A 58 -9.948 -9.544 3.209 1.00 8.61 O ATOM 919 CB ASP A 58 -9.002 -9.753 -0.005 1.00 8.41 C ATOM 920 CG ASP A 58 -9.620 -10.295 -1.286 1.00 11.50 C ATOM 921 OD1 ASP A 58 -10.651 -11.009 -1.162 1.00 11.70 O ATOM 922 OD2 ASP A 58 -9.079 -10.007 -2.386 1.00 10.05 O ATOM 0 H ASP A 58 -9.924 -7.592 -0.566 1.00 9.11 H new ATOM 0 HA ASP A 58 -10.982 -9.634 0.920 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -8.205 -9.051 -0.250 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -8.547 -10.568 0.558 1.00 8.41 H new ATOM 927 N TYR A 59 -8.561 -8.005 2.485 1.00 7.97 N ATOM 928 CA TYR A 59 -8.018 -7.698 3.772 1.00 8.45 C ATOM 929 C TYR A 59 -8.915 -6.945 4.693 1.00 10.98 C ATOM 930 O TYR A 59 -8.605 -6.872 5.881 1.00 12.95 O ATOM 931 CB TYR A 59 -6.703 -6.917 3.613 1.00 7.94 C ATOM 932 CG TYR A 59 -5.553 -7.802 3.275 1.00 6.91 C ATOM 933 CD1 TYR A 59 -5.254 -8.844 4.122 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.835 -7.683 2.109 1.00 4.59 C ATOM 935 CE1 TYR A 59 -4.223 -9.708 3.836 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.748 -8.483 1.846 1.00 5.39 C ATOM 937 CZ TYR A 59 -3.441 -9.494 2.725 1.00 6.76 C ATOM 938 OH TYR A 59 -2.303 -10.263 2.401 1.00 7.63 O ATOM 0 H TYR A 59 -8.151 -7.440 1.741 1.00 7.97 H new ATOM 0 HA TYR A 59 -7.864 -8.670 4.241 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.822 -6.166 2.832 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -6.487 -6.383 4.538 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -5.835 -8.985 5.021 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -5.132 -6.943 1.381 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -4.028 -10.552 4.482 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -3.146 -8.320 0.964 1.00 5.39 H new ATOM 0 HH TYR A 59 -2.570 -11.022 1.842 1.00 7.63 H new ATOM 948 N ASN A 60 -9.854 -6.189 4.097 1.00 12.38 N ATOM 949 CA ASN A 60 -10.751 -5.273 4.730 1.00 13.94 C ATOM 950 C ASN A 60 -10.055 -3.971 4.928 1.00 14.16 C ATOM 951 O ASN A 60 -10.013 -3.480 6.056 1.00 14.26 O ATOM 952 CB ASN A 60 -11.507 -5.715 5.995 1.00 19.23 C ATOM 953 CG ASN A 60 -12.092 -7.106 5.803 1.00 22.65 C ATOM 954 OD1 ASN A 60 -11.462 -8.054 6.270 1.00 25.45 O ATOM 955 ND2 ASN A 60 -13.325 -7.125 5.230 1.00 24.09 N ATOM 0 H ASN A 60 -9.996 -6.223 3.088 1.00 12.38 H new ATOM 0 HA ASN A 60 -11.580 -5.199 4.026 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -10.831 -5.712 6.850 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -12.304 -5.005 6.217 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -13.837 -8.004 5.151 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -13.738 -6.261 4.880 1.00 24.09 H new ATOM 962 N ILE A 61 -9.706 -3.214 3.873 1.00 11.08 N ATOM 963 CA ILE A 61 -9.180 -1.885 3.928 1.00 11.78 C ATOM 964 C ILE A 61 -10.289 -1.093 3.326 1.00 13.74 C ATOM 965 O ILE A 61 -10.742 -1.263 2.195 1.00 14.60 O ATOM 966 CB ILE A 61 -7.893 -1.871 3.158 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.835 -2.774 3.816 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.309 -0.451 3.250 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.526 -3.108 3.103 1.00 11.42 C ATOM 0 H ILE A 61 -9.798 -3.555 2.916 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.919 -1.487 4.909 1.00 11.78 H new ATOM 0 HB ILE A 61 -8.105 -2.203 2.142 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.570 -2.313 4.768 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -7.323 -3.721 4.045 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.370 -0.407 2.699 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.015 0.261 2.822 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.128 -0.199 4.295 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.921 -3.756 3.737 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.743 -3.618 2.164 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.978 -2.188 2.898 1.00 11.42 H new ATOM 981 N GLN A 62 -10.877 -0.183 4.123 1.00 13.97 N ATOM 982 CA GLN A 62 -11.955 0.702 3.807 1.00 15.52 C ATOM 983 C GLN A 62 -11.413 2.068 3.564 1.00 13.94 C ATOM 984 O GLN A 62 -10.230 2.329 3.351 1.00 12.15 O ATOM 985 CB GLN A 62 -13.060 0.649 4.875 1.00 19.53 C ATOM 986 CG GLN A 62 -13.497 -0.779 5.210 1.00 26.38 C ATOM 987 CD GLN A 62 -14.700 -0.719 6.141 1.00 30.61 C ATOM 988 OE1 GLN A 62 -14.578 -0.588 7.358 1.00 33.23 O ATOM 989 NE2 GLN A 62 -15.897 -0.742 5.497 1.00 32.71 N ATOM 0 H GLN A 62 -10.564 -0.056 5.085 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.443 0.380 2.887 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.705 1.137 5.783 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.923 1.215 4.526 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -13.752 -1.319 4.298 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -12.680 -1.322 5.684 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -15.929 -0.854 4.484 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -16.763 -0.647 6.027 1.00 32.71 H new ATOM 998 N LYS A 63 -12.322 3.060 3.577 1.00 11.73 N ATOM 999 CA LYS A 63 -12.218 4.447 3.247 1.00 11.97 C ATOM 1000 C LYS A 63 -11.461 5.192 4.291 1.00 10.41 C ATOM 1001 O LYS A 63 -11.692 4.938 5.473 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.615 5.012 2.940 1.00 13.73 C ATOM 1003 CG LYS A 63 -13.689 6.454 2.432 1.00 16.98 C ATOM 1004 CD LYS A 63 -14.999 6.749 1.699 1.00 20.19 C ATOM 1005 CE LYS A 63 -16.322 6.386 2.376 1.00 23.42 C ATOM 1006 NZ LYS A 63 -16.589 7.306 3.504 1.00 25.97 N ATOM 0 H LYS A 63 -13.277 2.847 3.865 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.631 4.574 2.338 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -14.085 4.367 2.197 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -14.215 4.942 3.847 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -13.585 7.138 3.274 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -12.850 6.643 1.762 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -15.022 7.817 1.482 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -14.965 6.229 0.741 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -17.136 6.440 1.653 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -16.284 5.358 2.737 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -17.490 7.049 3.956 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -15.820 7.234 4.200 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -16.645 8.282 3.150 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.461 6.026 3.953 1.00 10.04 N ATOM 1021 CA GLU A 64 -9.730 6.757 4.941 1.00 10.94 C ATOM 1022 C GLU A 64 -9.022 5.884 5.919 1.00 9.74 C ATOM 1023 O GLU A 64 -8.575 6.298 6.988 1.00 9.42 O ATOM 1024 CB GLU A 64 -10.682 7.745 5.636 1.00 18.31 C ATOM 1025 CG GLU A 64 -11.061 8.989 4.829 1.00 24.16 C ATOM 1026 CD GLU A 64 -11.731 10.097 5.629 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -12.876 9.820 6.074 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -11.177 11.199 5.885 1.00 32.61 O ATOM 0 H GLU A 64 -10.158 6.194 2.994 1.00 10.04 H new ATOM 0 HA GLU A 64 -8.937 7.308 4.436 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -11.597 7.214 5.899 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -10.221 8.068 6.570 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -10.160 9.391 4.365 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -11.729 8.690 4.022 1.00 24.16 H new ATOM 1035 N SER A 65 -8.714 4.641 5.508 1.00 6.85 N ATOM 1036 CA SER A 65 -7.882 3.808 6.321 1.00 6.90 C ATOM 1037 C SER A 65 -6.528 4.166 5.812 1.00 4.72 C ATOM 1038 O SER A 65 -6.389 4.690 4.707 1.00 3.91 O ATOM 1039 CB SER A 65 -8.199 2.317 6.116 1.00 7.28 C ATOM 1040 OG SER A 65 -9.368 1.965 6.841 1.00 10.56 O ATOM 0 H SER A 65 -9.031 4.220 4.635 1.00 6.85 H new ATOM 0 HA SER A 65 -8.006 3.959 7.393 1.00 6.90 H new ATOM 0 HB2 SER A 65 -8.343 2.110 5.056 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.358 1.709 6.449 1.00 7.28 H new ATOM 0 HG SER A 65 -9.564 1.015 6.704 1.00 10.56 H new ATOM 1046 N THR A 66 -5.527 3.997 6.694 1.00 4.48 N ATOM 1047 CA THR A 66 -4.195 4.497 6.560 1.00 3.80 C ATOM 1048 C THR A 66 -3.285 3.320 6.481 1.00 4.60 C ATOM 1049 O THR A 66 -3.128 2.643 7.496 1.00 5.33 O ATOM 1050 CB THR A 66 -3.614 5.355 7.645 1.00 2.85 C ATOM 1051 OG1 THR A 66 -4.586 6.277 8.115 1.00 2.15 O ATOM 1052 CG2 THR A 66 -2.338 6.074 7.175 1.00 3.40 C ATOM 0 H THR A 66 -5.659 3.475 7.560 1.00 4.48 H new ATOM 0 HA THR A 66 -4.270 5.146 5.687 1.00 3.80 H new ATOM 0 HB THR A 66 -3.326 4.708 8.474 1.00 2.85 H new ATOM 0 HG1 THR A 66 -4.196 6.830 8.824 1.00 2.15 H new ATOM 0 HG21 THR A 66 -1.945 6.686 7.987 1.00 3.40 H new ATOM 0 HG22 THR A 66 -1.591 5.336 6.883 1.00 3.40 H new ATOM 0 HG23 THR A 66 -2.572 6.710 6.322 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.672 3.020 5.321 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.759 1.932 5.160 1.00 3.85 C ATOM 1062 C LEU A 67 -0.367 2.389 5.426 1.00 3.80 C ATOM 1063 O LEU A 67 0.021 3.430 4.898 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.795 1.232 3.791 1.00 7.18 C ATOM 1065 CG LEU A 67 -3.170 0.704 3.345 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -4.268 1.755 3.112 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.966 -0.217 2.131 1.00 8.12 C ATOM 0 H LEU A 67 -2.818 3.555 4.465 1.00 4.17 H new ATOM 0 HA LEU A 67 -2.090 1.189 5.886 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.433 1.931 3.037 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -1.095 0.396 3.813 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.575 0.149 4.191 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -5.187 1.258 2.802 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -4.447 2.305 4.036 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -3.949 2.448 2.333 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.931 -0.602 1.800 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.502 0.346 1.321 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -2.320 -1.049 2.410 1.00 8.12 H new ATOM 1079 N HIS A 68 0.446 1.690 6.240 1.00 2.94 N ATOM 1080 CA HIS A 68 1.764 2.101 6.610 1.00 4.17 C ATOM 1081 C HIS A 68 2.682 1.748 5.491 1.00 5.32 C ATOM 1082 O HIS A 68 2.809 0.648 4.955 1.00 7.70 O ATOM 1083 CB HIS A 68 2.274 1.502 7.932 1.00 5.57 C ATOM 1084 CG HIS A 68 1.232 1.579 9.009 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.834 2.837 9.415 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.602 0.688 9.820 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.031 2.662 10.450 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.227 1.377 10.682 1.00 16.30 N ATOM 0 H HIS A 68 0.172 0.801 6.657 1.00 2.94 H new ATOM 0 HA HIS A 68 1.734 3.176 6.787 1.00 4.17 H new ATOM 0 HB2 HIS A 68 2.560 0.462 7.775 1.00 5.57 H new ATOM 0 HB3 HIS A 68 3.170 2.034 8.252 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.729 -0.384 9.794 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.494 3.464 11.006 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.867 0.972 11.365 1.00 16.30 H new ATOM 1096 N LEU A 69 3.535 2.697 5.067 1.00 5.29 N ATOM 1097 CA LEU A 69 4.596 2.585 4.115 1.00 3.97 C ATOM 1098 C LEU A 69 5.903 2.497 4.824 1.00 5.07 C ATOM 1099 O LEU A 69 6.395 3.463 5.406 1.00 4.34 O ATOM 1100 CB LEU A 69 4.437 3.632 2.999 1.00 6.08 C ATOM 1101 CG LEU A 69 5.517 3.651 1.905 1.00 7.37 C ATOM 1102 CD1 LEU A 69 6.070 2.299 1.422 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.117 4.608 0.770 1.00 6.87 C ATOM 0 H LEU A 69 3.471 3.647 5.434 1.00 5.29 H new ATOM 0 HA LEU A 69 4.553 1.649 3.558 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.471 3.473 2.520 1.00 6.08 H new ATOM 0 HB3 LEU A 69 4.405 4.619 3.461 1.00 6.08 H new ATOM 0 HG LEU A 69 6.402 4.045 2.405 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.822 2.468 0.651 1.00 9.96 H new ATOM 0 HD12 LEU A 69 6.523 1.770 2.261 1.00 9.96 H new ATOM 0 HD13 LEU A 69 5.258 1.700 1.011 1.00 9.96 H new ATOM 0 HD21 LEU A 69 5.893 4.609 0.004 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.175 4.279 0.332 1.00 6.87 H new ATOM 0 HD23 LEU A 69 4.999 5.616 1.168 1.00 6.87 H new ATOM 1115 N VAL A 70 6.538 1.330 4.617 1.00 4.29 N ATOM 1116 CA VAL A 70 7.887 0.999 4.957 1.00 6.26 C ATOM 1117 C VAL A 70 8.827 0.932 3.803 1.00 9.22 C ATOM 1118 O VAL A 70 8.717 0.009 2.997 1.00 9.36 O ATOM 1119 CB VAL A 70 7.962 -0.266 5.758 1.00 8.69 C ATOM 1120 CG1 VAL A 70 9.406 -0.592 6.176 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.118 -0.168 7.040 1.00 8.54 C ATOM 0 H VAL A 70 6.061 0.547 4.170 1.00 4.29 H new ATOM 0 HA VAL A 70 8.222 1.838 5.567 1.00 6.26 H new ATOM 0 HB VAL A 70 7.577 -1.054 5.111 1.00 8.69 H new ATOM 0 HG11 VAL A 70 9.418 -1.516 6.755 1.00 9.76 H new ATOM 0 HG12 VAL A 70 10.024 -0.713 5.286 1.00 9.76 H new ATOM 0 HG13 VAL A 70 9.801 0.222 6.784 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.194 -1.101 7.598 1.00 8.54 H new ATOM 0 HG22 VAL A 70 7.485 0.653 7.655 1.00 8.54 H new ATOM 0 HG23 VAL A 70 6.076 0.013 6.777 1.00 8.54 H new ATOM 1131 N LEU A 71 9.774 1.877 3.664 1.00 12.71 N ATOM 1132 CA LEU A 71 10.573 1.942 2.479 1.00 16.06 C ATOM 1133 C LEU A 71 11.774 1.139 2.845 1.00 18.09 C ATOM 1134 O LEU A 71 12.548 1.520 3.722 1.00 19.26 O ATOM 1135 CB LEU A 71 11.034 3.370 2.140 1.00 17.10 C ATOM 1136 CG LEU A 71 9.857 4.273 1.736 1.00 19.37 C ATOM 1137 CD1 LEU A 71 8.984 4.858 2.860 1.00 19.57 C ATOM 1138 CD2 LEU A 71 10.368 5.475 0.925 1.00 17.51 C ATOM 0 H LEU A 71 9.985 2.589 4.363 1.00 12.71 H new ATOM 0 HA LEU A 71 10.016 1.592 1.610 1.00 16.06 H new ATOM 0 HB2 LEU A 71 11.543 3.801 3.002 1.00 17.10 H new ATOM 0 HB3 LEU A 71 11.759 3.334 1.327 1.00 17.10 H new ATOM 0 HG LEU A 71 9.222 3.585 1.178 1.00 19.37 H new ATOM 0 HD11 LEU A 71 8.196 5.473 2.426 1.00 19.57 H new ATOM 0 HD12 LEU A 71 8.537 4.046 3.433 1.00 19.57 H new ATOM 0 HD13 LEU A 71 9.600 5.470 3.518 1.00 19.57 H new ATOM 0 HD21 LEU A 71 9.527 6.108 0.644 1.00 17.51 H new ATOM 0 HD22 LEU A 71 11.069 6.050 1.530 1.00 17.51 H new ATOM 0 HD23 LEU A 71 10.871 5.120 0.026 1.00 17.51 H new