USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 686 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 80 THR OG1 : rot -28:sc= 0.0991 USER MOD Set 1.2: A 81 THR OG1 : rot 48:sc= 0.955 USER MOD Single : A 1 MET CE :methyl 131:sc= -0.202 (180deg=-1.33!) USER MOD Single : A 2 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.28) USER MOD Single : A 3 HIS : no HD1:sc=-0.00443 X(o=-0.0044,f=-0.26) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A -1 SER N :NH3+ 136:sc= 0.497 (180deg=0.0205) USER MOD Single : A -1 SER OG : rot 180:sc= 0.195 USER MOD Single : A 33 ASN : amide:sc=-0.00426 K(o=-0.0043,f=-2.9!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.832 USER MOD Single : A 65 HIS : no HE2:sc= -9.23! C(o=-9.2!,f=-13!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 137:sc= 0.549 USER MOD Single : A 87 LYS NZ :NH3+ -154:sc= -7.58! (180deg=-9.52!) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -1 12.525 -0.697 -3.328 1.00 0.00 N ATOM 2 CA SER A -1 12.802 -2.122 -3.662 1.00 0.00 C ATOM 3 C SER A -1 11.478 -2.875 -3.823 1.00 0.00 C ATOM 4 O SER A -1 10.568 -2.722 -3.033 1.00 0.00 O ATOM 5 CB SER A -1 13.616 -2.761 -2.536 1.00 0.00 C ATOM 6 OG SER A -1 14.304 -1.745 -1.819 1.00 0.00 O ATOM 0 H1 SER A -1 13.160 -0.390 -2.564 1.00 0.00 H new ATOM 0 H2 SER A -1 12.684 -0.106 -4.169 1.00 0.00 H new ATOM 0 H3 SER A -1 11.537 -0.599 -3.017 1.00 0.00 H new ATOM 0 HA SER A -1 13.366 -2.173 -4.593 1.00 0.00 H new ATOM 0 HB2 SER A -1 12.959 -3.314 -1.865 1.00 0.00 H new ATOM 0 HB3 SER A -1 14.327 -3.477 -2.947 1.00 0.00 H new ATOM 0 HG SER A -1 14.825 -2.151 -1.095 1.00 0.00 H new ATOM 14 N GLU A 0 11.366 -3.687 -4.838 1.00 0.00 N ATOM 15 CA GLU A 0 10.102 -4.447 -5.047 1.00 0.00 C ATOM 16 C GLU A 0 9.804 -5.287 -3.802 1.00 0.00 C ATOM 17 O GLU A 0 10.699 -5.806 -3.165 1.00 0.00 O ATOM 18 CB GLU A 0 10.255 -5.367 -6.260 1.00 0.00 C ATOM 19 CG GLU A 0 10.495 -4.522 -7.513 1.00 0.00 C ATOM 20 CD GLU A 0 10.583 -5.435 -8.738 1.00 0.00 C ATOM 21 OE1 GLU A 0 10.636 -6.640 -8.551 1.00 0.00 O ATOM 22 OE2 GLU A 0 10.596 -4.915 -9.841 1.00 0.00 O ATOM 0 H GLU A 0 12.095 -3.857 -5.531 1.00 0.00 H new ATOM 0 HA GLU A 0 9.282 -3.751 -5.222 1.00 0.00 H new ATOM 0 HB2 GLU A 0 11.087 -6.054 -6.106 1.00 0.00 H new ATOM 0 HB3 GLU A 0 9.359 -5.975 -6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 0 9.685 -3.803 -7.640 1.00 0.00 H new ATOM 0 HG3 GLU A 0 11.416 -3.949 -7.407 1.00 0.00 H new ATOM 29 N MET A 1 8.554 -5.421 -3.449 1.00 0.00 N ATOM 30 CA MET A 1 8.196 -6.220 -2.248 1.00 0.00 C ATOM 31 C MET A 1 7.494 -7.497 -2.694 1.00 0.00 C ATOM 32 O MET A 1 8.018 -8.281 -3.460 1.00 0.00 O ATOM 33 CB MET A 1 7.232 -5.410 -1.380 1.00 0.00 C ATOM 34 CG MET A 1 7.867 -4.064 -1.041 1.00 0.00 C ATOM 35 SD MET A 1 6.872 -3.230 0.221 1.00 0.00 S ATOM 36 CE MET A 1 7.257 -4.340 1.598 1.00 0.00 C ATOM 0 H MET A 1 7.764 -5.008 -3.945 1.00 0.00 H new ATOM 0 HA MET A 1 9.096 -6.463 -1.683 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.290 -5.258 -1.907 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.001 -5.957 -0.466 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.885 -4.210 -0.679 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.933 -3.445 -1.936 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.550 -3.752 2.468 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.377 -4.936 1.842 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.076 -5.001 1.314 1.00 0.00 H new ATOM 46 N GLN A 2 6.294 -7.687 -2.231 1.00 0.00 N ATOM 47 CA GLN A 2 5.512 -8.888 -2.627 1.00 0.00 C ATOM 48 C GLN A 2 4.277 -8.408 -3.382 1.00 0.00 C ATOM 49 O GLN A 2 3.517 -7.601 -2.884 1.00 0.00 O ATOM 50 CB GLN A 2 5.087 -9.661 -1.380 1.00 0.00 C ATOM 51 CG GLN A 2 6.324 -9.990 -0.545 1.00 0.00 C ATOM 52 CD GLN A 2 7.303 -10.814 -1.384 1.00 0.00 C ATOM 53 OE1 GLN A 2 6.925 -11.796 -1.991 1.00 0.00 O ATOM 54 NE2 GLN A 2 8.555 -10.452 -1.445 1.00 0.00 N ATOM 0 H GLN A 2 5.816 -7.055 -1.588 1.00 0.00 H new ATOM 0 HA GLN A 2 6.112 -9.546 -3.255 1.00 0.00 H new ATOM 0 HB2 GLN A 2 4.384 -9.069 -0.793 1.00 0.00 H new ATOM 0 HB3 GLN A 2 4.571 -10.578 -1.665 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.803 -9.071 -0.207 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.036 -10.546 0.347 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.873 -9.628 -0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.216 -10.993 -2.002 1.00 0.00 H new ATOM 63 N HIS A 3 4.073 -8.870 -4.579 1.00 0.00 N ATOM 64 CA HIS A 3 2.890 -8.399 -5.344 1.00 0.00 C ATOM 65 C HIS A 3 2.826 -6.873 -5.232 1.00 0.00 C ATOM 66 O HIS A 3 1.784 -6.271 -5.395 1.00 0.00 O ATOM 67 CB HIS A 3 1.618 -9.010 -4.752 1.00 0.00 C ATOM 68 CG HIS A 3 1.776 -10.502 -4.653 1.00 0.00 C ATOM 69 ND1 HIS A 3 2.294 -11.117 -3.521 1.00 0.00 N ATOM 70 CD2 HIS A 3 1.485 -11.517 -5.531 1.00 0.00 C ATOM 71 CE1 HIS A 3 2.299 -12.444 -3.746 1.00 0.00 C ATOM 72 NE2 HIS A 3 1.816 -12.737 -4.955 1.00 0.00 N ATOM 0 H HIS A 3 4.667 -9.547 -5.058 1.00 0.00 H new ATOM 0 HA HIS A 3 2.972 -8.699 -6.389 1.00 0.00 H new ATOM 0 HB2 HIS A 3 1.424 -8.588 -3.766 1.00 0.00 H new ATOM 0 HB3 HIS A 3 0.759 -8.765 -5.377 1.00 0.00 H new ATOM 0 HD2 HIS A 3 1.064 -11.387 -6.517 1.00 0.00 H new ATOM 0 HE1 HIS A 3 2.650 -13.179 -3.037 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.712 -13.663 -5.369 1.00 0.00 H new ATOM 81 N ALA A 4 3.939 -6.245 -4.943 1.00 0.00 N ATOM 82 CA ALA A 4 3.948 -4.763 -4.806 1.00 0.00 C ATOM 83 C ALA A 4 3.400 -4.127 -6.085 1.00 0.00 C ATOM 84 O ALA A 4 2.665 -3.161 -6.045 1.00 0.00 O ATOM 85 CB ALA A 4 5.382 -4.284 -4.577 1.00 0.00 C ATOM 0 H ALA A 4 4.841 -6.699 -4.797 1.00 0.00 H new ATOM 0 HA ALA A 4 3.325 -4.473 -3.960 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.391 -3.199 -4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.776 -4.736 -3.667 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.003 -4.575 -5.424 1.00 0.00 H new ATOM 91 N SER A 5 3.750 -4.664 -7.222 1.00 0.00 N ATOM 92 CA SER A 5 3.248 -4.091 -8.501 1.00 0.00 C ATOM 93 C SER A 5 1.721 -4.164 -8.530 1.00 0.00 C ATOM 94 O SER A 5 1.057 -3.283 -9.039 1.00 0.00 O ATOM 95 CB SER A 5 3.818 -4.888 -9.676 1.00 0.00 C ATOM 96 OG SER A 5 5.237 -4.917 -9.580 1.00 0.00 O ATOM 0 H SER A 5 4.362 -5.474 -7.319 1.00 0.00 H new ATOM 0 HA SER A 5 3.563 -3.051 -8.580 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.421 -5.903 -9.669 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.515 -4.434 -10.619 1.00 0.00 H new ATOM 0 HG SER A 5 5.605 -5.428 -10.330 1.00 0.00 H new ATOM 102 N VAL A 6 1.157 -5.209 -7.989 1.00 0.00 N ATOM 103 CA VAL A 6 -0.328 -5.337 -7.989 1.00 0.00 C ATOM 104 C VAL A 6 -0.937 -4.200 -7.168 1.00 0.00 C ATOM 105 O VAL A 6 -1.885 -3.560 -7.581 1.00 0.00 O ATOM 106 CB VAL A 6 -0.719 -6.680 -7.375 1.00 0.00 C ATOM 107 CG1 VAL A 6 -2.238 -6.743 -7.209 1.00 0.00 C ATOM 108 CG2 VAL A 6 -0.259 -7.813 -8.294 1.00 0.00 C ATOM 0 H VAL A 6 1.660 -5.979 -7.547 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.701 -5.283 -9.012 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.243 -6.786 -6.400 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.517 -7.701 -6.771 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.566 -5.936 -6.554 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.715 -6.637 -8.183 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.537 -8.772 -7.857 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.735 -7.707 -9.269 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.824 -7.769 -8.412 1.00 0.00 H new ATOM 118 N ILE A 7 -0.394 -3.939 -6.013 1.00 0.00 N ATOM 119 CA ILE A 7 -0.934 -2.838 -5.167 1.00 0.00 C ATOM 120 C ILE A 7 -0.836 -1.527 -5.944 1.00 0.00 C ATOM 121 O ILE A 7 -1.768 -0.746 -5.996 1.00 0.00 O ATOM 122 CB ILE A 7 -0.106 -2.735 -3.887 1.00 0.00 C ATOM 123 CG1 ILE A 7 -0.162 -4.068 -3.138 1.00 0.00 C ATOM 124 CG2 ILE A 7 -0.674 -1.627 -2.999 1.00 0.00 C ATOM 125 CD1 ILE A 7 0.872 -4.060 -2.011 1.00 0.00 C ATOM 0 H ILE A 7 0.401 -4.440 -5.617 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.974 -3.039 -4.910 1.00 0.00 H new ATOM 0 HB ILE A 7 0.928 -2.502 -4.140 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.160 -4.227 -2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.037 -4.892 -3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.083 -1.554 -2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.636 -0.677 -3.533 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.708 -1.859 -2.744 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.834 -5.009 -1.476 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.868 -3.920 -2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.652 -3.245 -1.321 1.00 0.00 H new ATOM 137 N ALA A 8 0.289 -1.287 -6.559 1.00 0.00 N ATOM 138 CA ALA A 8 0.455 -0.038 -7.344 1.00 0.00 C ATOM 139 C ALA A 8 -0.561 -0.036 -8.485 1.00 0.00 C ATOM 140 O ALA A 8 -1.090 0.988 -8.859 1.00 0.00 O ATOM 141 CB ALA A 8 1.873 0.018 -7.916 1.00 0.00 C ATOM 0 H ALA A 8 1.100 -1.905 -6.550 1.00 0.00 H new ATOM 0 HA ALA A 8 0.293 0.830 -6.705 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.997 0.935 -8.493 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.595 0.003 -7.100 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.038 -0.843 -8.563 1.00 0.00 H new ATOM 147 N GLN A 9 -0.840 -1.182 -9.038 1.00 0.00 N ATOM 148 CA GLN A 9 -1.826 -1.251 -10.151 1.00 0.00 C ATOM 149 C GLN A 9 -3.182 -0.735 -9.664 1.00 0.00 C ATOM 150 O GLN A 9 -3.902 -0.074 -10.384 1.00 0.00 O ATOM 151 CB GLN A 9 -1.969 -2.703 -10.612 1.00 0.00 C ATOM 152 CG GLN A 9 -2.814 -2.757 -11.885 1.00 0.00 C ATOM 153 CD GLN A 9 -3.058 -4.215 -12.273 1.00 0.00 C ATOM 154 OE1 GLN A 9 -2.155 -4.898 -12.716 1.00 0.00 O ATOM 155 NE2 GLN A 9 -4.248 -4.728 -12.125 1.00 0.00 N ATOM 0 H GLN A 9 -0.428 -2.075 -8.767 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.481 -0.636 -10.982 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.985 -3.134 -10.798 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.436 -3.300 -9.828 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.765 -2.248 -11.725 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.305 -2.234 -12.695 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -5.007 -4.157 -11.754 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -4.420 -5.700 -12.381 1.00 0.00 H new ATOM 164 N PHE A 10 -3.546 -1.042 -8.452 1.00 0.00 N ATOM 165 CA PHE A 10 -4.863 -0.572 -7.933 1.00 0.00 C ATOM 166 C PHE A 10 -4.860 0.941 -7.705 1.00 0.00 C ATOM 167 O PHE A 10 -5.783 1.633 -8.085 1.00 0.00 O ATOM 168 CB PHE A 10 -5.175 -1.264 -6.607 1.00 0.00 C ATOM 169 CG PHE A 10 -5.678 -2.667 -6.851 1.00 0.00 C ATOM 170 CD1 PHE A 10 -7.000 -2.873 -7.263 1.00 0.00 C ATOM 171 CD2 PHE A 10 -4.829 -3.762 -6.650 1.00 0.00 C ATOM 172 CE1 PHE A 10 -7.473 -4.173 -7.476 1.00 0.00 C ATOM 173 CE2 PHE A 10 -5.303 -5.063 -6.859 1.00 0.00 C ATOM 174 CZ PHE A 10 -6.625 -5.268 -7.274 1.00 0.00 C ATOM 0 H PHE A 10 -2.992 -1.596 -7.799 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.620 -0.818 -8.677 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.280 -1.295 -5.986 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.924 -0.693 -6.059 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.655 -2.028 -7.417 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.809 -3.603 -6.334 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.492 -4.331 -7.796 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.649 -5.908 -6.700 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.990 -6.271 -7.438 1.00 0.00 H new ATOM 184 N VAL A 11 -3.853 1.463 -7.059 1.00 0.00 N ATOM 185 CA VAL A 11 -3.844 2.928 -6.786 1.00 0.00 C ATOM 186 C VAL A 11 -3.843 3.714 -8.101 1.00 0.00 C ATOM 187 O VAL A 11 -4.604 4.647 -8.267 1.00 0.00 O ATOM 188 CB VAL A 11 -2.617 3.293 -5.939 1.00 0.00 C ATOM 189 CG1 VAL A 11 -2.265 2.120 -5.023 1.00 0.00 C ATOM 190 CG2 VAL A 11 -1.417 3.613 -6.837 1.00 0.00 C ATOM 0 H VAL A 11 -3.045 0.946 -6.712 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.744 3.191 -6.231 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.854 4.174 -5.343 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.394 2.377 -4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.109 1.905 -4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.041 1.241 -5.627 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.557 3.869 -6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.178 2.743 -7.448 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.662 4.455 -7.485 1.00 0.00 H new ATOM 200 N VAL A 12 -3.011 3.356 -9.039 1.00 0.00 N ATOM 201 CA VAL A 12 -2.998 4.102 -10.324 1.00 0.00 C ATOM 202 C VAL A 12 -4.338 3.910 -11.042 1.00 0.00 C ATOM 203 O VAL A 12 -4.932 4.851 -11.520 1.00 0.00 O ATOM 204 CB VAL A 12 -1.860 3.592 -11.207 1.00 0.00 C ATOM 205 CG1 VAL A 12 -0.520 3.845 -10.513 1.00 0.00 C ATOM 206 CG2 VAL A 12 -2.031 2.094 -11.447 1.00 0.00 C ATOM 0 H VAL A 12 -2.346 2.586 -8.971 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.845 5.162 -10.124 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.881 4.118 -12.161 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.291 3.481 -11.144 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.395 4.914 -10.342 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.500 3.320 -9.558 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.219 1.731 -12.077 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.012 1.568 -10.492 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.984 1.911 -11.943 1.00 0.00 H new ATOM 216 N GLU A 13 -4.830 2.701 -11.114 1.00 0.00 N ATOM 217 CA GLU A 13 -6.131 2.474 -11.799 1.00 0.00 C ATOM 218 C GLU A 13 -7.246 3.186 -11.037 1.00 0.00 C ATOM 219 O GLU A 13 -8.260 3.555 -11.597 1.00 0.00 O ATOM 220 CB GLU A 13 -6.419 0.978 -11.859 1.00 0.00 C ATOM 221 CG GLU A 13 -5.471 0.318 -12.856 1.00 0.00 C ATOM 222 CD GLU A 13 -5.789 -1.176 -12.956 1.00 0.00 C ATOM 223 OE1 GLU A 13 -6.584 -1.646 -12.158 1.00 0.00 O ATOM 224 OE2 GLU A 13 -5.234 -1.823 -13.827 1.00 0.00 O ATOM 0 H GLU A 13 -4.388 1.866 -10.729 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.082 2.873 -12.812 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.294 0.533 -10.872 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.454 0.807 -12.157 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.572 0.788 -13.834 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.438 0.460 -12.539 1.00 0.00 H new ATOM 231 N GLU A 14 -7.069 3.372 -9.762 1.00 0.00 N ATOM 232 CA GLU A 14 -8.119 4.049 -8.952 1.00 0.00 C ATOM 233 C GLU A 14 -8.291 5.499 -9.417 1.00 0.00 C ATOM 234 O GLU A 14 -9.369 6.054 -9.340 1.00 0.00 O ATOM 235 CB GLU A 14 -7.708 4.034 -7.478 1.00 0.00 C ATOM 236 CG GLU A 14 -8.854 4.576 -6.621 1.00 0.00 C ATOM 237 CD GLU A 14 -8.403 4.656 -5.161 1.00 0.00 C ATOM 238 OE1 GLU A 14 -7.258 4.332 -4.896 1.00 0.00 O ATOM 239 OE2 GLU A 14 -9.213 5.041 -4.333 1.00 0.00 O ATOM 0 H GLU A 14 -6.240 3.084 -9.242 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.064 3.521 -9.079 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.458 3.019 -7.170 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.814 4.640 -7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.153 5.563 -6.975 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.726 3.928 -6.709 1.00 0.00 H new ATOM 246 N PHE A 15 -7.245 6.124 -9.888 1.00 0.00 N ATOM 247 CA PHE A 15 -7.378 7.541 -10.337 1.00 0.00 C ATOM 248 C PHE A 15 -6.516 7.802 -11.578 1.00 0.00 C ATOM 249 O PHE A 15 -6.872 8.599 -12.425 1.00 0.00 O ATOM 250 CB PHE A 15 -6.941 8.471 -9.202 1.00 0.00 C ATOM 251 CG PHE A 15 -7.135 9.908 -9.623 1.00 0.00 C ATOM 252 CD1 PHE A 15 -8.414 10.477 -9.603 1.00 0.00 C ATOM 253 CD2 PHE A 15 -6.035 10.672 -10.029 1.00 0.00 C ATOM 254 CE1 PHE A 15 -8.593 11.810 -9.991 1.00 0.00 C ATOM 255 CE2 PHE A 15 -6.214 12.005 -10.418 1.00 0.00 C ATOM 256 CZ PHE A 15 -7.493 12.574 -10.398 1.00 0.00 C ATOM 0 H PHE A 15 -6.313 5.720 -9.981 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.419 7.732 -10.596 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.522 8.263 -8.303 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -5.895 8.292 -8.954 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.262 9.888 -9.288 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.048 10.233 -10.042 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.580 12.249 -9.976 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -5.366 12.594 -10.733 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.631 13.603 -10.697 1.00 0.00 H new ATOM 266 N LEU A 16 -5.386 7.155 -11.693 1.00 0.00 N ATOM 267 CA LEU A 16 -4.505 7.386 -12.875 1.00 0.00 C ATOM 268 C LEU A 16 -4.269 6.065 -13.619 1.00 0.00 C ATOM 269 O LEU A 16 -3.243 5.435 -13.461 1.00 0.00 O ATOM 270 CB LEU A 16 -3.165 7.931 -12.384 1.00 0.00 C ATOM 271 CG LEU A 16 -3.219 9.457 -12.346 1.00 0.00 C ATOM 272 CD1 LEU A 16 -2.276 9.975 -11.258 1.00 0.00 C ATOM 273 CD2 LEU A 16 -2.789 10.021 -13.702 1.00 0.00 C ATOM 0 H LEU A 16 -5.035 6.476 -11.018 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.980 8.096 -13.552 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.943 7.540 -11.391 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.362 7.601 -13.044 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.238 9.776 -12.128 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.315 11.064 -11.231 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.583 9.577 -10.291 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.258 9.653 -11.476 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.828 11.110 -13.672 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.771 9.701 -13.923 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.461 9.655 -14.478 1.00 0.00 H new ATOM 285 N PRO A 17 -5.215 5.647 -14.422 1.00 0.00 N ATOM 286 CA PRO A 17 -5.107 4.379 -15.195 1.00 0.00 C ATOM 287 C PRO A 17 -4.176 4.498 -16.409 1.00 0.00 C ATOM 288 O PRO A 17 -3.720 3.508 -16.948 1.00 0.00 O ATOM 289 CB PRO A 17 -6.540 4.099 -15.644 1.00 0.00 C ATOM 290 CG PRO A 17 -7.230 5.425 -15.659 1.00 0.00 C ATOM 291 CD PRO A 17 -6.490 6.338 -14.678 1.00 0.00 C ATOM 0 HA PRO A 17 -4.675 3.582 -14.590 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.557 3.638 -16.632 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.035 3.408 -14.962 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.220 5.851 -16.662 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.275 5.317 -15.369 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.326 7.328 -15.103 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.058 6.476 -13.758 1.00 0.00 H new ATOM 299 N ASP A 18 -3.895 5.694 -16.850 1.00 0.00 N ATOM 300 CA ASP A 18 -3.005 5.861 -18.030 1.00 0.00 C ATOM 301 C ASP A 18 -1.544 5.958 -17.579 1.00 0.00 C ATOM 302 O ASP A 18 -0.675 6.321 -18.346 1.00 0.00 O ATOM 303 CB ASP A 18 -3.406 7.128 -18.789 1.00 0.00 C ATOM 304 CG ASP A 18 -3.178 8.358 -17.910 1.00 0.00 C ATOM 305 OD1 ASP A 18 -2.503 8.228 -16.906 1.00 0.00 O ATOM 306 OD2 ASP A 18 -3.687 9.412 -18.257 1.00 0.00 O ATOM 0 H ASP A 18 -4.244 6.562 -16.443 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.108 4.997 -18.686 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.823 7.213 -19.706 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.454 7.070 -19.082 1.00 0.00 H new ATOM 311 N VAL A 19 -1.264 5.632 -16.343 1.00 0.00 N ATOM 312 CA VAL A 19 0.146 5.701 -15.852 1.00 0.00 C ATOM 313 C VAL A 19 0.705 4.286 -15.699 1.00 0.00 C ATOM 314 O VAL A 19 0.063 3.409 -15.157 1.00 0.00 O ATOM 315 CB VAL A 19 0.191 6.403 -14.493 1.00 0.00 C ATOM 316 CG1 VAL A 19 1.629 6.412 -13.972 1.00 0.00 C ATOM 317 CG2 VAL A 19 -0.295 7.844 -14.646 1.00 0.00 C ATOM 0 H VAL A 19 -1.949 5.322 -15.654 1.00 0.00 H new ATOM 0 HA VAL A 19 0.744 6.260 -16.571 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.452 5.872 -13.791 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.662 6.912 -13.004 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.983 5.387 -13.863 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.268 6.944 -14.677 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.263 8.344 -13.678 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.349 8.373 -15.349 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.319 7.845 -15.021 1.00 0.00 H new ATOM 327 N ALA A 20 1.902 4.060 -16.167 1.00 0.00 N ATOM 328 CA ALA A 20 2.506 2.706 -16.042 1.00 0.00 C ATOM 329 C ALA A 20 2.861 2.452 -14.565 1.00 0.00 C ATOM 330 O ALA A 20 3.665 3.165 -14.000 1.00 0.00 O ATOM 331 CB ALA A 20 3.785 2.647 -16.881 1.00 0.00 C ATOM 0 H ALA A 20 2.487 4.755 -16.630 1.00 0.00 H new ATOM 0 HA ALA A 20 1.801 1.951 -16.391 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.232 1.657 -16.793 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.544 2.845 -17.925 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.490 3.397 -16.522 1.00 0.00 H new ATOM 337 N PRO A 21 2.280 1.453 -13.932 1.00 0.00 N ATOM 338 CA PRO A 21 2.581 1.154 -12.502 1.00 0.00 C ATOM 339 C PRO A 21 4.086 1.044 -12.246 1.00 0.00 C ATOM 340 O PRO A 21 4.581 1.456 -11.215 1.00 0.00 O ATOM 341 CB PRO A 21 1.905 -0.196 -12.246 1.00 0.00 C ATOM 342 CG PRO A 21 0.856 -0.339 -13.298 1.00 0.00 C ATOM 343 CD PRO A 21 1.286 0.519 -14.490 1.00 0.00 C ATOM 0 HA PRO A 21 2.223 1.947 -11.845 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.627 -1.010 -12.302 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.465 -0.229 -11.249 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.749 -1.382 -13.594 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -0.113 -0.014 -12.921 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.717 -0.091 -15.284 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.439 1.052 -14.922 1.00 0.00 H new ATOM 351 N ALA A 22 4.818 0.503 -13.178 1.00 0.00 N ATOM 352 CA ALA A 22 6.290 0.382 -12.990 1.00 0.00 C ATOM 353 C ALA A 22 6.909 1.779 -13.020 1.00 0.00 C ATOM 354 O ALA A 22 8.019 1.990 -12.574 1.00 0.00 O ATOM 355 CB ALA A 22 6.884 -0.465 -14.117 1.00 0.00 C ATOM 0 H ALA A 22 4.461 0.139 -14.062 1.00 0.00 H new ATOM 0 HA ALA A 22 6.502 -0.097 -12.034 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.962 -0.552 -13.977 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.435 -1.458 -14.102 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.680 0.011 -15.076 1.00 0.00 H new ATOM 361 N ASP A 23 6.196 2.733 -13.552 1.00 0.00 N ATOM 362 CA ASP A 23 6.734 4.119 -13.625 1.00 0.00 C ATOM 363 C ASP A 23 6.525 4.830 -12.287 1.00 0.00 C ATOM 364 O ASP A 23 6.771 6.013 -12.161 1.00 0.00 O ATOM 365 CB ASP A 23 6.007 4.888 -14.730 1.00 0.00 C ATOM 366 CG ASP A 23 6.658 6.261 -14.910 1.00 0.00 C ATOM 367 OD1 ASP A 23 7.665 6.506 -14.266 1.00 0.00 O ATOM 368 OD2 ASP A 23 6.140 7.042 -15.690 1.00 0.00 O ATOM 0 H ASP A 23 5.261 2.611 -13.940 1.00 0.00 H new ATOM 0 HA ASP A 23 7.801 4.079 -13.846 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.049 4.329 -15.665 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.954 5.004 -14.475 1.00 0.00 H new ATOM 373 N VAL A 24 6.072 4.124 -11.287 1.00 0.00 N ATOM 374 CA VAL A 24 5.850 4.770 -9.962 1.00 0.00 C ATOM 375 C VAL A 24 6.966 4.362 -9.005 1.00 0.00 C ATOM 376 O VAL A 24 7.284 3.197 -8.871 1.00 0.00 O ATOM 377 CB VAL A 24 4.517 4.301 -9.380 1.00 0.00 C ATOM 378 CG1 VAL A 24 4.166 5.152 -8.158 1.00 0.00 C ATOM 379 CG2 VAL A 24 3.418 4.439 -10.436 1.00 0.00 C ATOM 0 H VAL A 24 5.846 3.130 -11.330 1.00 0.00 H new ATOM 0 HA VAL A 24 5.841 5.852 -10.090 1.00 0.00 H new ATOM 0 HB VAL A 24 4.600 3.256 -9.082 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.215 4.818 -7.743 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.947 5.048 -7.405 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.085 6.198 -8.454 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.468 4.104 -10.019 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.333 5.483 -10.739 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.668 3.829 -11.304 1.00 0.00 H new ATOM 389 N ASP A 25 7.555 5.305 -8.326 1.00 0.00 N ATOM 390 CA ASP A 25 8.635 4.950 -7.371 1.00 0.00 C ATOM 391 C ASP A 25 8.006 4.648 -6.010 1.00 0.00 C ATOM 392 O ASP A 25 7.361 5.489 -5.415 1.00 0.00 O ATOM 393 CB ASP A 25 9.606 6.125 -7.237 1.00 0.00 C ATOM 394 CG ASP A 25 10.800 5.706 -6.379 1.00 0.00 C ATOM 395 OD1 ASP A 25 10.848 4.551 -5.988 1.00 0.00 O ATOM 396 OD2 ASP A 25 11.647 6.548 -6.125 1.00 0.00 O ATOM 0 H ASP A 25 7.336 6.299 -8.391 1.00 0.00 H new ATOM 0 HA ASP A 25 9.179 4.077 -7.732 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.947 6.443 -8.222 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.101 6.978 -6.784 1.00 0.00 H new ATOM 401 N VAL A 26 8.184 3.458 -5.511 1.00 0.00 N ATOM 402 CA VAL A 26 7.590 3.116 -4.192 1.00 0.00 C ATOM 403 C VAL A 26 8.405 3.776 -3.079 1.00 0.00 C ATOM 404 O VAL A 26 8.130 3.600 -1.911 1.00 0.00 O ATOM 405 CB VAL A 26 7.617 1.599 -4.012 1.00 0.00 C ATOM 406 CG1 VAL A 26 6.892 0.932 -5.183 1.00 0.00 C ATOM 407 CG2 VAL A 26 9.069 1.116 -3.974 1.00 0.00 C ATOM 0 H VAL A 26 8.714 2.710 -5.958 1.00 0.00 H new ATOM 0 HA VAL A 26 6.562 3.474 -4.147 1.00 0.00 H new ATOM 0 HB VAL A 26 7.120 1.336 -3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.912 -0.150 -5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.858 1.275 -5.214 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.389 1.195 -6.116 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.089 0.034 -3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.565 1.380 -4.908 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.588 1.590 -3.141 1.00 0.00 H new ATOM 417 N ASP A 27 9.398 4.548 -3.430 1.00 0.00 N ATOM 418 CA ASP A 27 10.216 5.227 -2.391 1.00 0.00 C ATOM 419 C ASP A 27 9.537 6.537 -1.997 1.00 0.00 C ATOM 420 O ASP A 27 9.797 7.095 -0.949 1.00 0.00 O ATOM 421 CB ASP A 27 11.608 5.516 -2.950 1.00 0.00 C ATOM 422 CG ASP A 27 12.349 4.198 -3.186 1.00 0.00 C ATOM 423 OD1 ASP A 27 11.864 3.179 -2.724 1.00 0.00 O ATOM 424 OD2 ASP A 27 13.388 4.231 -3.824 1.00 0.00 O ATOM 0 H ASP A 27 9.676 4.736 -4.393 1.00 0.00 H new ATOM 0 HA ASP A 27 10.307 4.586 -1.514 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.528 6.072 -3.884 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.168 6.141 -2.254 1.00 0.00 H new ATOM 429 N LEU A 28 8.660 7.026 -2.828 1.00 0.00 N ATOM 430 CA LEU A 28 7.953 8.293 -2.504 1.00 0.00 C ATOM 431 C LEU A 28 6.694 7.957 -1.714 1.00 0.00 C ATOM 432 O LEU A 28 5.958 7.055 -2.062 1.00 0.00 O ATOM 433 CB LEU A 28 7.569 9.008 -3.800 1.00 0.00 C ATOM 434 CG LEU A 28 6.898 10.344 -3.472 1.00 0.00 C ATOM 435 CD1 LEU A 28 7.913 11.292 -2.826 1.00 0.00 C ATOM 436 CD2 LEU A 28 6.366 10.973 -4.763 1.00 0.00 C ATOM 0 H LEU A 28 8.403 6.601 -3.719 1.00 0.00 H new ATOM 0 HA LEU A 28 8.600 8.944 -1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.456 9.176 -4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.893 8.384 -4.384 1.00 0.00 H new ATOM 0 HG LEU A 28 6.075 10.173 -2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.429 12.241 -2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.294 10.846 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.740 11.465 -3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.887 11.925 -4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.192 11.140 -5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.639 10.303 -5.222 1.00 0.00 H new ATOM 448 N ASP A 29 6.440 8.659 -0.649 1.00 0.00 N ATOM 449 CA ASP A 29 5.229 8.349 0.150 1.00 0.00 C ATOM 450 C ASP A 29 3.989 8.529 -0.726 1.00 0.00 C ATOM 451 O ASP A 29 3.862 9.490 -1.459 1.00 0.00 O ATOM 452 CB ASP A 29 5.151 9.287 1.357 1.00 0.00 C ATOM 453 CG ASP A 29 6.312 8.990 2.309 1.00 0.00 C ATOM 454 OD1 ASP A 29 6.950 7.966 2.133 1.00 0.00 O ATOM 455 OD2 ASP A 29 6.541 9.793 3.200 1.00 0.00 O ATOM 0 H ASP A 29 7.013 9.427 -0.300 1.00 0.00 H new ATOM 0 HA ASP A 29 5.279 7.319 0.504 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.193 10.325 1.028 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.200 9.155 1.873 1.00 0.00 H new ATOM 460 N LEU A 30 3.081 7.598 -0.661 1.00 0.00 N ATOM 461 CA LEU A 30 1.848 7.683 -1.490 1.00 0.00 C ATOM 462 C LEU A 30 1.035 8.921 -1.105 1.00 0.00 C ATOM 463 O LEU A 30 0.424 9.555 -1.940 1.00 0.00 O ATOM 464 CB LEU A 30 1.006 6.425 -1.264 1.00 0.00 C ATOM 465 CG LEU A 30 -0.176 6.413 -2.234 1.00 0.00 C ATOM 466 CD1 LEU A 30 0.343 6.347 -3.672 1.00 0.00 C ATOM 467 CD2 LEU A 30 -1.046 5.185 -1.957 1.00 0.00 C ATOM 0 H LEU A 30 3.141 6.774 -0.063 1.00 0.00 H new ATOM 0 HA LEU A 30 2.126 7.760 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.618 5.535 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.645 6.397 -0.236 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.765 7.320 -2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.500 6.338 -4.363 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.968 7.217 -3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.931 5.439 -3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.890 5.174 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.453 4.281 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.416 5.225 -0.932 1.00 0.00 H new ATOM 479 N VAL A 31 1.010 9.265 0.150 1.00 0.00 N ATOM 480 CA VAL A 31 0.220 10.456 0.574 1.00 0.00 C ATOM 481 C VAL A 31 0.794 11.727 -0.049 1.00 0.00 C ATOM 482 O VAL A 31 0.066 12.636 -0.400 1.00 0.00 O ATOM 483 CB VAL A 31 0.245 10.583 2.091 1.00 0.00 C ATOM 484 CG1 VAL A 31 -0.391 11.916 2.483 1.00 0.00 C ATOM 485 CG2 VAL A 31 -0.556 9.433 2.702 1.00 0.00 C ATOM 0 H VAL A 31 1.500 8.777 0.900 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.808 10.326 0.235 1.00 0.00 H new ATOM 0 HB VAL A 31 1.271 10.544 2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.379 12.020 3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.173 12.734 2.034 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.421 11.947 2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.543 9.517 3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.586 9.478 2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.112 8.483 2.406 1.00 0.00 H new ATOM 495 N ASP A 32 2.085 11.808 -0.192 1.00 0.00 N ATOM 496 CA ASP A 32 2.677 13.034 -0.796 1.00 0.00 C ATOM 497 C ASP A 32 1.975 13.296 -2.125 1.00 0.00 C ATOM 498 O ASP A 32 1.774 14.424 -2.529 1.00 0.00 O ATOM 499 CB ASP A 32 4.173 12.821 -1.036 1.00 0.00 C ATOM 500 CG ASP A 32 4.899 12.735 0.308 1.00 0.00 C ATOM 501 OD1 ASP A 32 4.282 13.051 1.312 1.00 0.00 O ATOM 502 OD2 ASP A 32 6.058 12.357 0.310 1.00 0.00 O ATOM 0 H ASP A 32 2.752 11.086 0.080 1.00 0.00 H new ATOM 0 HA ASP A 32 2.548 13.884 -0.127 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.334 11.907 -1.607 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.578 13.642 -1.628 1.00 0.00 H new ATOM 507 N ASN A 33 1.595 12.251 -2.802 1.00 0.00 N ATOM 508 CA ASN A 33 0.893 12.411 -4.102 1.00 0.00 C ATOM 509 C ASN A 33 -0.519 12.952 -3.871 1.00 0.00 C ATOM 510 O ASN A 33 -1.044 13.705 -4.668 1.00 0.00 O ATOM 511 CB ASN A 33 0.797 11.047 -4.776 1.00 0.00 C ATOM 512 CG ASN A 33 2.190 10.584 -5.207 1.00 0.00 C ATOM 513 OD1 ASN A 33 3.109 11.375 -5.283 1.00 0.00 O ATOM 514 ND2 ASN A 33 2.386 9.326 -5.492 1.00 0.00 N ATOM 0 H ASN A 33 1.742 11.286 -2.508 1.00 0.00 H new ATOM 0 HA ASN A 33 1.446 13.109 -4.730 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.359 10.322 -4.090 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.138 11.105 -5.643 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.311 9.006 -5.779 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.614 8.662 -5.428 1.00 0.00 H new ATOM 521 N GLY A 34 -1.143 12.565 -2.794 1.00 0.00 N ATOM 522 CA GLY A 34 -2.528 13.045 -2.519 1.00 0.00 C ATOM 523 C GLY A 34 -3.518 12.131 -3.235 1.00 0.00 C ATOM 524 O GLY A 34 -4.710 12.365 -3.237 1.00 0.00 O ATOM 0 H GLY A 34 -0.754 11.936 -2.091 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.722 13.044 -1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.646 14.072 -2.863 1.00 0.00 H new ATOM 528 N VAL A 35 -3.027 11.085 -3.839 1.00 0.00 N ATOM 529 CA VAL A 35 -3.927 10.142 -4.553 1.00 0.00 C ATOM 530 C VAL A 35 -4.903 9.530 -3.549 1.00 0.00 C ATOM 531 O VAL A 35 -6.035 9.231 -3.871 1.00 0.00 O ATOM 532 CB VAL A 35 -3.096 9.034 -5.201 1.00 0.00 C ATOM 533 CG1 VAL A 35 -4.027 7.971 -5.788 1.00 0.00 C ATOM 534 CG2 VAL A 35 -2.238 9.632 -6.319 1.00 0.00 C ATOM 0 H VAL A 35 -2.036 10.843 -3.868 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.480 10.674 -5.327 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.452 8.576 -4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.433 7.182 -6.249 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.641 7.546 -4.994 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.671 8.427 -6.540 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.644 8.844 -6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.884 10.089 -7.069 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.574 10.389 -5.902 1.00 0.00 H new ATOM 544 N ILE A 36 -4.470 9.337 -2.334 1.00 0.00 N ATOM 545 CA ILE A 36 -5.371 8.739 -1.313 1.00 0.00 C ATOM 546 C ILE A 36 -6.249 9.828 -0.699 1.00 0.00 C ATOM 547 O ILE A 36 -5.777 10.722 -0.025 1.00 0.00 O ATOM 548 CB ILE A 36 -4.534 8.088 -0.214 1.00 0.00 C ATOM 549 CG1 ILE A 36 -3.630 7.025 -0.827 1.00 0.00 C ATOM 550 CG2 ILE A 36 -5.456 7.427 0.805 1.00 0.00 C ATOM 551 CD1 ILE A 36 -2.645 6.519 0.229 1.00 0.00 C ATOM 0 H ILE A 36 -3.532 9.568 -2.006 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.003 7.988 -1.787 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.929 8.850 0.277 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.230 6.197 -1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.087 7.440 -1.676 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.858 6.962 1.589 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.111 8.179 1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.059 6.666 0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.999 5.759 -0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.037 7.350 0.587 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.197 6.088 1.064 1.00 0.00 H new ATOM 563 N ASP A 37 -7.528 9.747 -0.927 1.00 0.00 N ATOM 564 CA ASP A 37 -8.466 10.751 -0.366 1.00 0.00 C ATOM 565 C ASP A 37 -9.352 10.069 0.677 1.00 0.00 C ATOM 566 O ASP A 37 -9.217 8.891 0.941 1.00 0.00 O ATOM 567 CB ASP A 37 -9.336 11.304 -1.494 1.00 0.00 C ATOM 568 CG ASP A 37 -8.477 12.150 -2.435 1.00 0.00 C ATOM 569 OD1 ASP A 37 -7.341 12.425 -2.083 1.00 0.00 O ATOM 570 OD2 ASP A 37 -8.968 12.508 -3.493 1.00 0.00 O ATOM 0 H ASP A 37 -7.968 9.016 -1.487 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.912 11.566 0.099 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.799 10.485 -2.045 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.144 11.908 -1.081 1.00 0.00 H new ATOM 575 N ALA A 38 -10.262 10.792 1.267 1.00 0.00 N ATOM 576 CA ALA A 38 -11.151 10.164 2.285 1.00 0.00 C ATOM 577 C ALA A 38 -11.898 9.012 1.621 1.00 0.00 C ATOM 578 O ALA A 38 -11.868 7.884 2.080 1.00 0.00 O ATOM 579 CB ALA A 38 -12.154 11.199 2.800 1.00 0.00 C ATOM 0 H ALA A 38 -10.429 11.783 1.091 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.562 9.796 3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.803 10.738 3.544 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.617 12.032 3.253 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.757 11.565 1.970 1.00 0.00 H new ATOM 585 N LEU A 39 -12.532 9.279 0.516 1.00 0.00 N ATOM 586 CA LEU A 39 -13.241 8.200 -0.209 1.00 0.00 C ATOM 587 C LEU A 39 -12.176 7.292 -0.798 1.00 0.00 C ATOM 588 O LEU A 39 -12.343 6.094 -0.910 1.00 0.00 O ATOM 589 CB LEU A 39 -14.094 8.800 -1.325 1.00 0.00 C ATOM 590 CG LEU A 39 -15.040 9.846 -0.739 1.00 0.00 C ATOM 591 CD1 LEU A 39 -16.009 10.326 -1.821 1.00 0.00 C ATOM 592 CD2 LEU A 39 -15.831 9.230 0.417 1.00 0.00 C ATOM 0 H LEU A 39 -12.588 10.202 0.085 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.900 7.645 0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.454 9.256 -2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.665 8.016 -1.822 1.00 0.00 H new ATOM 0 HG LEU A 39 -14.459 10.692 -0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -16.683 11.072 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -15.446 10.768 -2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -16.589 9.481 -2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -16.506 9.977 0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.410 8.382 0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.141 8.891 1.190 1.00 0.00 H new ATOM 604 N GLY A 40 -11.063 7.869 -1.159 1.00 0.00 N ATOM 605 CA GLY A 40 -9.955 7.067 -1.727 1.00 0.00 C ATOM 606 C GLY A 40 -9.539 6.018 -0.699 1.00 0.00 C ATOM 607 O GLY A 40 -9.285 4.877 -1.025 1.00 0.00 O ATOM 0 H GLY A 40 -10.877 8.869 -1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.272 6.586 -2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.110 7.710 -1.975 1.00 0.00 H new ATOM 611 N LEU A 41 -9.485 6.402 0.547 1.00 0.00 N ATOM 612 CA LEU A 41 -9.108 5.434 1.608 1.00 0.00 C ATOM 613 C LEU A 41 -10.174 4.348 1.698 1.00 0.00 C ATOM 614 O LEU A 41 -9.879 3.174 1.788 1.00 0.00 O ATOM 615 CB LEU A 41 -9.018 6.168 2.945 1.00 0.00 C ATOM 616 CG LEU A 41 -8.879 5.153 4.077 1.00 0.00 C ATOM 617 CD1 LEU A 41 -7.846 5.658 5.084 1.00 0.00 C ATOM 618 CD2 LEU A 41 -10.232 4.987 4.773 1.00 0.00 C ATOM 0 H LEU A 41 -9.687 7.347 0.874 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.145 4.982 1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.164 6.845 2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.908 6.778 3.097 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.555 4.193 3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.744 4.936 5.894 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.884 5.784 4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.172 6.615 5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.138 4.263 5.582 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.552 5.946 5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.970 4.633 4.053 1.00 0.00 H new ATOM 630 N LEU A 42 -11.417 4.734 1.672 1.00 0.00 N ATOM 631 CA LEU A 42 -12.506 3.725 1.756 1.00 0.00 C ATOM 632 C LEU A 42 -12.389 2.749 0.591 1.00 0.00 C ATOM 633 O LEU A 42 -12.499 1.551 0.757 1.00 0.00 O ATOM 634 CB LEU A 42 -13.859 4.442 1.702 1.00 0.00 C ATOM 635 CG LEU A 42 -14.984 3.428 1.460 1.00 0.00 C ATOM 636 CD1 LEU A 42 -14.923 2.319 2.508 1.00 0.00 C ATOM 637 CD2 LEU A 42 -16.338 4.137 1.546 1.00 0.00 C ATOM 0 H LEU A 42 -11.726 5.703 1.596 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.425 3.172 2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.034 4.975 2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.853 5.187 0.906 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.862 2.990 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.726 1.604 2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -13.962 1.809 2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -15.038 2.751 3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -17.138 3.416 1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -16.455 4.579 2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -16.387 4.921 0.790 1.00 0.00 H new ATOM 649 N LYS A 43 -12.163 3.244 -0.587 1.00 0.00 N ATOM 650 CA LYS A 43 -12.042 2.332 -1.751 1.00 0.00 C ATOM 651 C LYS A 43 -10.849 1.394 -1.545 1.00 0.00 C ATOM 652 O LYS A 43 -10.869 0.248 -1.947 1.00 0.00 O ATOM 653 CB LYS A 43 -11.834 3.152 -3.021 1.00 0.00 C ATOM 654 CG LYS A 43 -13.082 3.991 -3.305 1.00 0.00 C ATOM 655 CD LYS A 43 -12.909 4.727 -4.637 1.00 0.00 C ATOM 656 CE LYS A 43 -14.093 5.669 -4.859 1.00 0.00 C ATOM 657 NZ LYS A 43 -13.703 7.055 -4.472 1.00 0.00 N ATOM 0 H LYS A 43 -12.057 4.237 -0.795 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.954 1.742 -1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.966 3.801 -2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.630 2.490 -3.863 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.963 3.351 -3.343 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.243 4.707 -2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.977 5.292 -4.634 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.844 4.009 -5.455 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.400 5.644 -5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.948 5.342 -4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.507 7.697 -4.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.430 7.071 -3.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.899 7.365 -5.055 1.00 0.00 H new ATOM 671 N VAL A 44 -9.806 1.880 -0.927 1.00 0.00 N ATOM 672 CA VAL A 44 -8.604 1.029 -0.700 1.00 0.00 C ATOM 673 C VAL A 44 -8.973 -0.177 0.164 1.00 0.00 C ATOM 674 O VAL A 44 -8.639 -1.303 -0.146 1.00 0.00 O ATOM 675 CB VAL A 44 -7.531 1.855 0.012 1.00 0.00 C ATOM 676 CG1 VAL A 44 -6.379 0.941 0.433 1.00 0.00 C ATOM 677 CG2 VAL A 44 -7.003 2.932 -0.939 1.00 0.00 C ATOM 0 H VAL A 44 -9.735 2.832 -0.569 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.225 0.677 -1.660 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.963 2.327 0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.614 1.529 0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.753 0.172 1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.947 0.469 -0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.238 3.521 -0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.572 2.459 -1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.823 3.584 -1.241 1.00 0.00 H new ATOM 687 N ILE A 45 -9.653 0.054 1.249 1.00 0.00 N ATOM 688 CA ILE A 45 -10.044 -1.066 2.146 1.00 0.00 C ATOM 689 C ILE A 45 -11.074 -1.976 1.469 1.00 0.00 C ATOM 690 O ILE A 45 -11.121 -3.161 1.725 1.00 0.00 O ATOM 691 CB ILE A 45 -10.653 -0.488 3.424 1.00 0.00 C ATOM 692 CG1 ILE A 45 -9.554 0.110 4.313 1.00 0.00 C ATOM 693 CG2 ILE A 45 -11.375 -1.594 4.182 1.00 0.00 C ATOM 694 CD1 ILE A 45 -9.238 1.533 3.852 1.00 0.00 C ATOM 0 H ILE A 45 -9.957 0.978 1.556 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.157 -1.656 2.376 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.358 0.299 3.158 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.878 0.118 5.354 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.657 -0.507 4.263 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.811 -1.186 5.094 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.166 -2.008 3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.666 -2.381 4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.457 1.956 4.485 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.895 1.513 2.818 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -10.136 2.147 3.925 1.00 0.00 H new ATOM 706 N ALA A 46 -11.920 -1.435 0.638 1.00 0.00 N ATOM 707 CA ALA A 46 -12.966 -2.283 -0.009 1.00 0.00 C ATOM 708 C ALA A 46 -12.343 -3.306 -0.965 1.00 0.00 C ATOM 709 O ALA A 46 -12.642 -4.485 -0.903 1.00 0.00 O ATOM 710 CB ALA A 46 -13.918 -1.383 -0.794 1.00 0.00 C ATOM 0 H ALA A 46 -11.935 -0.449 0.378 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.501 -2.825 0.771 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.686 -1.993 -1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.389 -0.672 -0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.360 -0.841 -1.557 1.00 0.00 H new ATOM 716 N TRP A 47 -11.486 -2.882 -1.852 1.00 0.00 N ATOM 717 CA TRP A 47 -10.876 -3.860 -2.800 1.00 0.00 C ATOM 718 C TRP A 47 -9.721 -4.588 -2.121 1.00 0.00 C ATOM 719 O TRP A 47 -9.575 -5.788 -2.239 1.00 0.00 O ATOM 720 CB TRP A 47 -10.353 -3.133 -4.040 1.00 0.00 C ATOM 721 CG TRP A 47 -8.885 -3.384 -4.174 1.00 0.00 C ATOM 722 CD1 TRP A 47 -8.319 -4.560 -4.531 1.00 0.00 C ATOM 723 CD2 TRP A 47 -7.790 -2.456 -3.952 1.00 0.00 C ATOM 724 NE1 TRP A 47 -6.943 -4.412 -4.526 1.00 0.00 N ATOM 725 CE2 TRP A 47 -6.568 -3.130 -4.177 1.00 0.00 C ATOM 726 CE3 TRP A 47 -7.744 -1.108 -3.576 1.00 0.00 C ATOM 727 CZ2 TRP A 47 -5.341 -2.484 -4.032 1.00 0.00 C ATOM 728 CZ3 TRP A 47 -6.512 -0.450 -3.430 1.00 0.00 C ATOM 729 CH2 TRP A 47 -5.312 -1.139 -3.655 1.00 0.00 C ATOM 0 H TRP A 47 -11.184 -1.914 -1.962 1.00 0.00 H new ATOM 0 HA TRP A 47 -11.638 -4.580 -3.098 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -10.877 -3.483 -4.930 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -10.545 -2.063 -3.957 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.853 -5.465 -4.779 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.286 -5.159 -4.752 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -8.663 -0.570 -3.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.420 -3.019 -4.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.489 0.591 -3.143 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.366 -0.631 -3.537 1.00 0.00 H new ATOM 740 N LEU A 48 -8.887 -3.870 -1.427 1.00 0.00 N ATOM 741 CA LEU A 48 -7.730 -4.521 -0.761 1.00 0.00 C ATOM 742 C LEU A 48 -8.223 -5.596 0.209 1.00 0.00 C ATOM 743 O LEU A 48 -7.671 -6.676 0.282 1.00 0.00 O ATOM 744 CB LEU A 48 -6.933 -3.466 0.008 1.00 0.00 C ATOM 745 CG LEU A 48 -5.666 -4.096 0.578 1.00 0.00 C ATOM 746 CD1 LEU A 48 -4.728 -4.497 -0.565 1.00 0.00 C ATOM 747 CD2 LEU A 48 -4.963 -3.083 1.483 1.00 0.00 C ATOM 0 H LEU A 48 -8.957 -2.861 -1.292 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.095 -4.986 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.674 -2.638 -0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.540 -3.053 0.814 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.929 -4.983 1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.824 -4.947 -0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.229 -5.217 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.462 -3.613 -1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.057 -3.529 1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.702 -2.197 0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.629 -2.800 2.298 1.00 0.00 H new ATOM 759 N GLU A 49 -9.259 -5.318 0.955 1.00 0.00 N ATOM 760 CA GLU A 49 -9.772 -6.337 1.910 1.00 0.00 C ATOM 761 C GLU A 49 -10.476 -7.456 1.139 1.00 0.00 C ATOM 762 O GLU A 49 -10.415 -8.611 1.510 1.00 0.00 O ATOM 763 CB GLU A 49 -10.750 -5.681 2.888 1.00 0.00 C ATOM 764 CG GLU A 49 -12.098 -5.467 2.202 1.00 0.00 C ATOM 765 CD GLU A 49 -12.939 -6.741 2.311 1.00 0.00 C ATOM 766 OE1 GLU A 49 -12.416 -7.734 2.788 1.00 0.00 O ATOM 767 OE2 GLU A 49 -14.092 -6.700 1.916 1.00 0.00 O ATOM 0 H GLU A 49 -9.768 -4.434 0.943 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.938 -6.760 2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.875 -6.310 3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.350 -4.727 3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.624 -4.632 2.664 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.947 -5.208 1.154 1.00 0.00 H new ATOM 774 N ASP A 50 -11.151 -7.122 0.071 1.00 0.00 N ATOM 775 CA ASP A 50 -11.863 -8.166 -0.720 1.00 0.00 C ATOM 776 C ASP A 50 -10.868 -9.206 -1.244 1.00 0.00 C ATOM 777 O ASP A 50 -11.160 -10.384 -1.300 1.00 0.00 O ATOM 778 CB ASP A 50 -12.569 -7.504 -1.900 1.00 0.00 C ATOM 779 CG ASP A 50 -13.479 -8.522 -2.589 1.00 0.00 C ATOM 780 OD1 ASP A 50 -13.595 -9.624 -2.079 1.00 0.00 O ATOM 781 OD2 ASP A 50 -14.043 -8.181 -3.616 1.00 0.00 O ATOM 0 H ASP A 50 -11.240 -6.171 -0.287 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.591 -8.664 -0.080 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.155 -6.652 -1.555 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.834 -7.120 -2.608 1.00 0.00 H new ATOM 786 N ARG A 51 -9.704 -8.778 -1.646 1.00 0.00 N ATOM 787 CA ARG A 51 -8.701 -9.736 -2.188 1.00 0.00 C ATOM 788 C ARG A 51 -8.310 -10.780 -1.138 1.00 0.00 C ATOM 789 O ARG A 51 -8.105 -11.934 -1.459 1.00 0.00 O ATOM 790 CB ARG A 51 -7.461 -8.965 -2.627 1.00 0.00 C ATOM 791 CG ARG A 51 -7.803 -8.108 -3.846 1.00 0.00 C ATOM 792 CD ARG A 51 -6.543 -7.394 -4.339 1.00 0.00 C ATOM 793 NE ARG A 51 -5.541 -8.406 -4.780 1.00 0.00 N ATOM 794 CZ ARG A 51 -5.697 -9.029 -5.915 1.00 0.00 C ATOM 795 NH1 ARG A 51 -6.731 -8.769 -6.668 1.00 0.00 N ATOM 796 NH2 ARG A 51 -4.817 -9.914 -6.299 1.00 0.00 N ATOM 0 H ARG A 51 -9.403 -7.804 -1.622 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.142 -10.257 -3.038 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.104 -8.334 -1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.655 -9.658 -2.870 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.213 -8.733 -4.639 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.570 -7.378 -3.587 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.789 -6.726 -5.165 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.127 -6.777 -3.543 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.732 -8.611 -4.193 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.419 -8.078 -6.369 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.851 -9.257 -7.555 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.008 -10.118 -5.711 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.938 -10.402 -7.187 1.00 0.00 H new ATOM 810 N PHE A 52 -8.190 -10.399 0.106 1.00 0.00 N ATOM 811 CA PHE A 52 -7.798 -11.391 1.142 1.00 0.00 C ATOM 812 C PHE A 52 -9.035 -11.875 1.898 1.00 0.00 C ATOM 813 O PHE A 52 -8.976 -12.822 2.657 1.00 0.00 O ATOM 814 CB PHE A 52 -6.812 -10.736 2.110 1.00 0.00 C ATOM 815 CG PHE A 52 -5.498 -10.510 1.402 1.00 0.00 C ATOM 816 CD1 PHE A 52 -4.543 -11.532 1.355 1.00 0.00 C ATOM 817 CD2 PHE A 52 -5.237 -9.280 0.787 1.00 0.00 C ATOM 818 CE1 PHE A 52 -3.326 -11.325 0.694 1.00 0.00 C ATOM 819 CE2 PHE A 52 -4.019 -9.071 0.126 1.00 0.00 C ATOM 820 CZ PHE A 52 -3.065 -10.094 0.080 1.00 0.00 C ATOM 0 H PHE A 52 -8.346 -9.450 0.445 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.325 -12.250 0.666 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.213 -9.788 2.470 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.664 -11.372 2.983 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.745 -12.481 1.829 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.974 -8.492 0.822 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.589 -12.114 0.658 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.817 -8.122 -0.347 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.126 -9.934 -0.430 1.00 0.00 H new ATOM 830 N GLY A 53 -10.156 -11.240 1.700 1.00 0.00 N ATOM 831 CA GLY A 53 -11.386 -11.677 2.411 1.00 0.00 C ATOM 832 C GLY A 53 -11.237 -11.341 3.888 1.00 0.00 C ATOM 833 O GLY A 53 -11.712 -12.056 4.749 1.00 0.00 O ATOM 0 H GLY A 53 -10.272 -10.440 1.078 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.261 -11.177 1.996 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.539 -12.748 2.280 1.00 0.00 H new ATOM 837 N ILE A 54 -10.567 -10.265 4.189 1.00 0.00 N ATOM 838 CA ILE A 54 -10.370 -9.889 5.612 1.00 0.00 C ATOM 839 C ILE A 54 -11.316 -8.748 5.987 1.00 0.00 C ATOM 840 O ILE A 54 -11.663 -7.921 5.169 1.00 0.00 O ATOM 841 CB ILE A 54 -8.921 -9.447 5.810 1.00 0.00 C ATOM 842 CG1 ILE A 54 -8.625 -8.264 4.884 1.00 0.00 C ATOM 843 CG2 ILE A 54 -7.987 -10.612 5.473 1.00 0.00 C ATOM 844 CD1 ILE A 54 -7.211 -7.747 5.145 1.00 0.00 C ATOM 0 H ILE A 54 -10.148 -9.630 3.509 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.586 -10.746 6.251 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.764 -9.146 6.846 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.724 -8.571 3.843 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.350 -7.468 5.052 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.952 -10.301 5.613 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.205 -11.454 6.130 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.139 -10.912 4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.004 -6.905 4.484 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.128 -7.423 6.182 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.492 -8.543 4.955 1.00 0.00 H new ATOM 856 N ALA A 55 -11.737 -8.699 7.221 1.00 0.00 N ATOM 857 CA ALA A 55 -12.660 -7.612 7.650 1.00 0.00 C ATOM 858 C ALA A 55 -11.849 -6.461 8.247 1.00 0.00 C ATOM 859 O ALA A 55 -11.141 -6.628 9.220 1.00 0.00 O ATOM 860 CB ALA A 55 -13.629 -8.152 8.703 1.00 0.00 C ATOM 0 H ALA A 55 -11.481 -9.365 7.950 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.223 -7.252 6.789 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.305 -7.357 9.017 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.207 -8.973 8.279 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.067 -8.512 9.565 1.00 0.00 H new ATOM 866 N ALA A 56 -11.949 -5.296 7.672 1.00 0.00 N ATOM 867 CA ALA A 56 -11.186 -4.133 8.206 1.00 0.00 C ATOM 868 C ALA A 56 -11.722 -3.763 9.592 1.00 0.00 C ATOM 869 O ALA A 56 -11.010 -3.242 10.426 1.00 0.00 O ATOM 870 CB ALA A 56 -11.350 -2.943 7.262 1.00 0.00 C ATOM 0 H ALA A 56 -12.526 -5.098 6.855 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.131 -4.394 8.284 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.793 -2.091 7.651 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.969 -3.206 6.275 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.406 -2.682 7.186 1.00 0.00 H new ATOM 876 N ASP A 57 -12.979 -4.021 9.836 1.00 0.00 N ATOM 877 CA ASP A 57 -13.576 -3.678 11.159 1.00 0.00 C ATOM 878 C ASP A 57 -12.786 -4.347 12.286 1.00 0.00 C ATOM 879 O ASP A 57 -12.640 -3.798 13.361 1.00 0.00 O ATOM 880 CB ASP A 57 -15.024 -4.162 11.202 1.00 0.00 C ATOM 881 CG ASP A 57 -15.711 -3.610 12.452 1.00 0.00 C ATOM 882 OD1 ASP A 57 -15.090 -2.823 13.147 1.00 0.00 O ATOM 883 OD2 ASP A 57 -16.848 -3.983 12.693 1.00 0.00 O ATOM 0 H ASP A 57 -13.620 -4.456 9.173 1.00 0.00 H new ATOM 0 HA ASP A 57 -13.541 -2.597 11.294 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.555 -3.834 10.308 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -15.054 -5.252 11.209 1.00 0.00 H new ATOM 888 N ASP A 58 -12.282 -5.527 12.060 1.00 0.00 N ATOM 889 CA ASP A 58 -11.513 -6.222 13.130 1.00 0.00 C ATOM 890 C ASP A 58 -10.396 -5.309 13.636 1.00 0.00 C ATOM 891 O ASP A 58 -10.112 -5.258 14.817 1.00 0.00 O ATOM 892 CB ASP A 58 -10.908 -7.508 12.570 1.00 0.00 C ATOM 893 CG ASP A 58 -12.024 -8.507 12.259 1.00 0.00 C ATOM 894 OD1 ASP A 58 -13.143 -8.265 12.680 1.00 0.00 O ATOM 895 OD2 ASP A 58 -11.740 -9.498 11.606 1.00 0.00 O ATOM 0 H ASP A 58 -12.369 -6.040 11.183 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.182 -6.465 13.956 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.339 -7.291 11.666 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.212 -7.938 13.290 1.00 0.00 H new ATOM 900 N VAL A 59 -9.764 -4.589 12.751 1.00 0.00 N ATOM 901 CA VAL A 59 -8.665 -3.673 13.173 1.00 0.00 C ATOM 902 C VAL A 59 -8.932 -2.269 12.629 1.00 0.00 C ATOM 903 O VAL A 59 -9.309 -2.099 11.488 1.00 0.00 O ATOM 904 CB VAL A 59 -7.335 -4.184 12.624 1.00 0.00 C ATOM 905 CG1 VAL A 59 -6.196 -3.293 13.125 1.00 0.00 C ATOM 906 CG2 VAL A 59 -7.105 -5.621 13.098 1.00 0.00 C ATOM 0 H VAL A 59 -9.961 -4.595 11.750 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.621 -3.640 14.262 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.361 -4.160 11.535 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.248 -3.659 12.732 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.358 -2.270 12.786 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.170 -3.314 14.214 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.156 -5.986 12.706 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.081 -5.645 14.187 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.914 -6.257 12.738 1.00 0.00 H new ATOM 916 N GLU A 60 -8.733 -1.258 13.432 1.00 0.00 N ATOM 917 CA GLU A 60 -8.970 0.127 12.943 1.00 0.00 C ATOM 918 C GLU A 60 -7.707 0.623 12.240 1.00 0.00 C ATOM 919 O GLU A 60 -6.618 0.548 12.774 1.00 0.00 O ATOM 920 CB GLU A 60 -9.292 1.042 14.128 1.00 0.00 C ATOM 921 CG GLU A 60 -9.683 2.424 13.615 1.00 0.00 C ATOM 922 CD GLU A 60 -9.908 3.365 14.802 1.00 0.00 C ATOM 923 OE1 GLU A 60 -9.731 2.923 15.925 1.00 0.00 O ATOM 924 OE2 GLU A 60 -10.254 4.510 14.565 1.00 0.00 O ATOM 0 H GLU A 60 -8.418 -1.332 14.399 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.809 0.137 12.248 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.105 0.618 14.717 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.427 1.119 14.787 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.899 2.818 12.968 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.589 2.357 13.013 1.00 0.00 H new ATOM 931 N LEU A 61 -7.837 1.116 11.041 1.00 0.00 N ATOM 932 CA LEU A 61 -6.646 1.596 10.301 1.00 0.00 C ATOM 933 C LEU A 61 -6.528 3.116 10.429 1.00 0.00 C ATOM 934 O LEU A 61 -7.509 3.831 10.391 1.00 0.00 O ATOM 935 CB LEU A 61 -6.791 1.219 8.829 1.00 0.00 C ATOM 936 CG LEU A 61 -7.037 -0.285 8.709 1.00 0.00 C ATOM 937 CD1 LEU A 61 -7.088 -0.680 7.231 1.00 0.00 C ATOM 938 CD2 LEU A 61 -5.903 -1.044 9.400 1.00 0.00 C ATOM 0 H LEU A 61 -8.722 1.206 10.542 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.750 1.135 10.717 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.618 1.770 8.381 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.890 1.496 8.281 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.985 -0.536 9.184 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.263 -1.752 7.147 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.896 -0.140 6.738 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.140 -0.429 6.754 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.078 -2.116 9.315 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.955 -0.792 8.925 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.867 -0.765 10.453 1.00 0.00 H new ATOM 950 N SER A 62 -5.329 3.611 10.569 1.00 0.00 N ATOM 951 CA SER A 62 -5.132 5.076 10.686 1.00 0.00 C ATOM 952 C SER A 62 -4.560 5.592 9.363 1.00 0.00 C ATOM 953 O SER A 62 -3.880 4.872 8.660 1.00 0.00 O ATOM 954 CB SER A 62 -4.146 5.354 11.820 1.00 0.00 C ATOM 955 OG SER A 62 -4.578 6.488 12.559 1.00 0.00 O ATOM 0 H SER A 62 -4.474 3.056 10.607 1.00 0.00 H new ATOM 0 HA SER A 62 -6.077 5.576 10.900 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.075 4.486 12.475 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.150 5.529 11.414 1.00 0.00 H new ATOM 0 HG SER A 62 -3.946 6.664 13.287 1.00 0.00 H new ATOM 961 N PRO A 63 -4.830 6.822 9.015 1.00 0.00 N ATOM 962 CA PRO A 63 -4.330 7.416 7.743 1.00 0.00 C ATOM 963 C PRO A 63 -2.810 7.279 7.604 1.00 0.00 C ATOM 964 O PRO A 63 -2.269 7.331 6.517 1.00 0.00 O ATOM 965 CB PRO A 63 -4.732 8.896 7.826 1.00 0.00 C ATOM 966 CG PRO A 63 -5.187 9.130 9.231 1.00 0.00 C ATOM 967 CD PRO A 63 -5.630 7.781 9.784 1.00 0.00 C ATOM 0 HA PRO A 63 -4.750 6.910 6.874 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.890 9.542 7.577 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.528 9.123 7.117 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.380 9.548 9.833 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.008 9.846 9.257 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.435 7.701 10.853 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.698 7.619 9.642 1.00 0.00 H new ATOM 975 N GLU A 64 -2.118 7.104 8.698 1.00 0.00 N ATOM 976 CA GLU A 64 -0.640 6.962 8.638 1.00 0.00 C ATOM 977 C GLU A 64 -0.281 5.626 8.002 1.00 0.00 C ATOM 978 O GLU A 64 0.760 5.476 7.396 1.00 0.00 O ATOM 979 CB GLU A 64 -0.074 7.021 10.054 1.00 0.00 C ATOM 980 CG GLU A 64 -0.375 8.381 10.670 1.00 0.00 C ATOM 981 CD GLU A 64 0.264 8.469 12.056 1.00 0.00 C ATOM 982 OE1 GLU A 64 0.744 7.452 12.531 1.00 0.00 O ATOM 983 OE2 GLU A 64 0.264 9.551 12.621 1.00 0.00 O ATOM 0 H GLU A 64 -2.518 7.053 9.635 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.218 7.770 8.040 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.510 6.230 10.664 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.002 6.850 10.033 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.010 9.175 10.030 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.453 8.527 10.745 1.00 0.00 H new ATOM 990 N HIS A 65 -1.129 4.651 8.137 1.00 0.00 N ATOM 991 CA HIS A 65 -0.830 3.324 7.544 1.00 0.00 C ATOM 992 C HIS A 65 -0.809 3.445 6.024 1.00 0.00 C ATOM 993 O HIS A 65 -0.241 2.626 5.331 1.00 0.00 O ATOM 994 CB HIS A 65 -1.909 2.325 7.948 1.00 0.00 C ATOM 995 CG HIS A 65 -1.788 1.092 7.100 1.00 0.00 C ATOM 996 ND1 HIS A 65 -2.898 0.379 6.668 1.00 0.00 N ATOM 997 CD2 HIS A 65 -0.697 0.439 6.584 1.00 0.00 C ATOM 998 CE1 HIS A 65 -2.453 -0.653 5.927 1.00 0.00 C ATOM 999 NE2 HIS A 65 -1.122 -0.659 5.846 1.00 0.00 N ATOM 0 H HIS A 65 -2.018 4.716 8.633 1.00 0.00 H new ATOM 0 HA HIS A 65 0.139 2.979 7.904 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -1.805 2.067 9.002 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.897 2.769 7.825 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.873 0.597 6.874 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.332 0.733 6.729 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.094 -1.384 5.457 1.00 0.00 H new ATOM 1008 N PHE A 66 -1.431 4.461 5.504 1.00 0.00 N ATOM 1009 CA PHE A 66 -1.458 4.637 4.032 1.00 0.00 C ATOM 1010 C PHE A 66 -0.351 5.606 3.625 1.00 0.00 C ATOM 1011 O PHE A 66 -0.341 6.139 2.533 1.00 0.00 O ATOM 1012 CB PHE A 66 -2.817 5.195 3.610 1.00 0.00 C ATOM 1013 CG PHE A 66 -3.920 4.390 4.255 1.00 0.00 C ATOM 1014 CD1 PHE A 66 -4.181 4.532 5.623 1.00 0.00 C ATOM 1015 CD2 PHE A 66 -4.689 3.511 3.484 1.00 0.00 C ATOM 1016 CE1 PHE A 66 -5.208 3.795 6.220 1.00 0.00 C ATOM 1017 CE2 PHE A 66 -5.718 2.773 4.084 1.00 0.00 C ATOM 1018 CZ PHE A 66 -5.976 2.917 5.452 1.00 0.00 C ATOM 0 H PHE A 66 -1.923 5.178 6.037 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.299 3.677 3.542 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.898 6.242 3.903 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.915 5.160 2.525 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.588 5.211 6.218 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.490 3.402 2.428 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.408 3.905 7.276 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.312 2.093 3.491 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.770 2.349 5.914 1.00 0.00 H new ATOM 1028 N ARG A 67 0.577 5.837 4.505 1.00 0.00 N ATOM 1029 CA ARG A 67 1.692 6.768 4.204 1.00 0.00 C ATOM 1030 C ARG A 67 2.396 6.351 2.907 1.00 0.00 C ATOM 1031 O ARG A 67 2.835 7.184 2.139 1.00 0.00 O ATOM 1032 CB ARG A 67 2.676 6.719 5.369 1.00 0.00 C ATOM 1033 CG ARG A 67 3.308 5.326 5.433 1.00 0.00 C ATOM 1034 CD ARG A 67 3.500 4.887 6.888 1.00 0.00 C ATOM 1035 NE ARG A 67 4.769 4.120 7.007 1.00 0.00 N ATOM 1036 CZ ARG A 67 5.907 4.754 7.091 1.00 0.00 C ATOM 1037 NH1 ARG A 67 5.929 6.059 7.071 1.00 0.00 N ATOM 1038 NH2 ARG A 67 7.021 4.085 7.195 1.00 0.00 N ATOM 0 H ARG A 67 0.610 5.414 5.433 1.00 0.00 H new ATOM 0 HA ARG A 67 1.309 7.780 4.073 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.449 7.477 5.241 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.163 6.942 6.304 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.674 4.609 4.912 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.270 5.333 4.920 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.526 5.758 7.542 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.659 4.272 7.208 1.00 0.00 H new ATOM 0 HE ARG A 67 4.750 3.100 7.023 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.057 6.583 6.990 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.818 6.555 7.137 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.004 3.065 7.211 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.910 4.581 7.261 1.00 0.00 H new ATOM 1052 N SER A 68 2.512 5.074 2.651 1.00 0.00 N ATOM 1053 CA SER A 68 3.191 4.632 1.401 1.00 0.00 C ATOM 1054 C SER A 68 2.745 3.221 1.027 1.00 0.00 C ATOM 1055 O SER A 68 2.256 2.468 1.845 1.00 0.00 O ATOM 1056 CB SER A 68 4.708 4.638 1.607 1.00 0.00 C ATOM 1057 OG SER A 68 5.058 3.631 2.547 1.00 0.00 O ATOM 0 H SER A 68 2.168 4.324 3.250 1.00 0.00 H new ATOM 0 HA SER A 68 2.923 5.319 0.598 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.216 4.459 0.659 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.034 5.615 1.964 1.00 0.00 H new ATOM 0 HG SER A 68 6.029 3.631 2.680 1.00 0.00 H new ATOM 1063 N ILE A 69 2.933 2.858 -0.210 1.00 0.00 N ATOM 1064 CA ILE A 69 2.554 1.501 -0.666 1.00 0.00 C ATOM 1065 C ILE A 69 3.326 0.477 0.163 1.00 0.00 C ATOM 1066 O ILE A 69 2.846 -0.602 0.453 1.00 0.00 O ATOM 1067 CB ILE A 69 2.930 1.356 -2.137 1.00 0.00 C ATOM 1068 CG1 ILE A 69 2.382 2.551 -2.916 1.00 0.00 C ATOM 1069 CG2 ILE A 69 2.326 0.070 -2.690 1.00 0.00 C ATOM 1070 CD1 ILE A 69 3.521 3.521 -3.230 1.00 0.00 C ATOM 0 H ILE A 69 3.339 3.455 -0.931 1.00 0.00 H new ATOM 0 HA ILE A 69 1.483 1.341 -0.545 1.00 0.00 H new ATOM 0 HB ILE A 69 4.015 1.320 -2.237 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.914 2.212 -3.840 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.611 3.055 -2.334 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.594 -0.035 -3.741 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.711 -0.783 -2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.241 0.107 -2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.130 4.373 -3.786 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.969 3.869 -2.299 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.277 3.013 -3.829 1.00 0.00 H new ATOM 1082 N ARG A 70 4.530 0.813 0.533 1.00 0.00 N ATOM 1083 CA ARG A 70 5.367 -0.125 1.330 1.00 0.00 C ATOM 1084 C ARG A 70 4.636 -0.512 2.617 1.00 0.00 C ATOM 1085 O ARG A 70 4.630 -1.660 3.017 1.00 0.00 O ATOM 1086 CB ARG A 70 6.663 0.593 1.705 1.00 0.00 C ATOM 1087 CG ARG A 70 7.396 1.040 0.444 1.00 0.00 C ATOM 1088 CD ARG A 70 8.385 2.147 0.809 1.00 0.00 C ATOM 1089 NE ARG A 70 9.392 1.617 1.767 1.00 0.00 N ATOM 1090 CZ ARG A 70 10.415 0.932 1.330 1.00 0.00 C ATOM 1091 NH1 ARG A 70 10.554 0.713 0.051 1.00 0.00 N ATOM 1092 NH2 ARG A 70 11.298 0.469 2.171 1.00 0.00 N ATOM 0 H ARG A 70 4.973 1.705 0.315 1.00 0.00 H new ATOM 0 HA ARG A 70 5.571 -1.023 0.746 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.442 1.457 2.332 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.300 -0.071 2.290 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.923 0.197 -0.004 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.683 1.401 -0.298 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.881 2.517 -0.089 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.856 2.991 1.251 1.00 0.00 H new ATOM 0 HE ARG A 70 9.284 1.789 2.767 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.864 1.077 -0.607 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.352 0.178 -0.291 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.190 0.642 3.170 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.096 -0.066 1.829 1.00 0.00 H new ATOM 1106 N SER A 71 4.026 0.435 3.270 1.00 0.00 N ATOM 1107 CA SER A 71 3.305 0.124 4.533 1.00 0.00 C ATOM 1108 C SER A 71 2.068 -0.727 4.237 1.00 0.00 C ATOM 1109 O SER A 71 1.699 -1.590 5.008 1.00 0.00 O ATOM 1110 CB SER A 71 2.874 1.430 5.195 1.00 0.00 C ATOM 1111 OG SER A 71 1.839 2.029 4.424 1.00 0.00 O ATOM 0 H SER A 71 3.996 1.413 2.983 1.00 0.00 H new ATOM 0 HA SER A 71 3.967 -0.431 5.198 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.523 1.239 6.209 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.723 2.109 5.274 1.00 0.00 H new ATOM 0 HG SER A 71 1.140 2.368 5.022 1.00 0.00 H new ATOM 1117 N ILE A 72 1.417 -0.483 3.134 1.00 0.00 N ATOM 1118 CA ILE A 72 0.202 -1.267 2.801 1.00 0.00 C ATOM 1119 C ILE A 72 0.572 -2.728 2.548 1.00 0.00 C ATOM 1120 O ILE A 72 -0.045 -3.634 3.073 1.00 0.00 O ATOM 1121 CB ILE A 72 -0.439 -0.675 1.549 1.00 0.00 C ATOM 1122 CG1 ILE A 72 -0.739 0.807 1.782 1.00 0.00 C ATOM 1123 CG2 ILE A 72 -1.737 -1.414 1.248 1.00 0.00 C ATOM 1124 CD1 ILE A 72 -1.373 1.403 0.524 1.00 0.00 C ATOM 0 H ILE A 72 1.677 0.227 2.450 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.499 -1.224 3.634 1.00 0.00 H new ATOM 0 HB ILE A 72 0.244 -0.779 0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.412 0.924 2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.179 1.341 2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.197 -0.993 0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.525 -2.470 1.083 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.420 -1.308 2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.587 2.459 0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.684 1.299 -0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.300 0.876 0.299 1.00 0.00 H new ATOM 1136 N ASP A 73 1.571 -2.968 1.745 1.00 0.00 N ATOM 1137 CA ASP A 73 1.972 -4.374 1.458 1.00 0.00 C ATOM 1138 C ASP A 73 2.373 -5.065 2.759 1.00 0.00 C ATOM 1139 O ASP A 73 2.022 -6.201 3.009 1.00 0.00 O ATOM 1140 CB ASP A 73 3.166 -4.374 0.504 1.00 0.00 C ATOM 1141 CG ASP A 73 3.361 -5.775 -0.075 1.00 0.00 C ATOM 1142 OD1 ASP A 73 2.531 -6.628 0.196 1.00 0.00 O ATOM 1143 OD2 ASP A 73 4.337 -5.974 -0.781 1.00 0.00 O ATOM 0 H ASP A 73 2.126 -2.253 1.276 1.00 0.00 H new ATOM 0 HA ASP A 73 1.135 -4.904 1.004 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.001 -3.657 -0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.066 -4.059 1.032 1.00 0.00 H new ATOM 1148 N ALA A 74 3.116 -4.385 3.585 1.00 0.00 N ATOM 1149 CA ALA A 74 3.555 -4.993 4.868 1.00 0.00 C ATOM 1150 C ALA A 74 2.355 -5.216 5.785 1.00 0.00 C ATOM 1151 O ALA A 74 2.227 -6.246 6.415 1.00 0.00 O ATOM 1152 CB ALA A 74 4.548 -4.050 5.546 1.00 0.00 C ATOM 0 H ALA A 74 3.439 -3.431 3.425 1.00 0.00 H new ATOM 0 HA ALA A 74 4.027 -5.955 4.670 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.878 -4.486 6.489 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.409 -3.900 4.895 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.066 -3.091 5.738 1.00 0.00 H new ATOM 1158 N PHE A 75 1.479 -4.258 5.872 1.00 0.00 N ATOM 1159 CA PHE A 75 0.293 -4.417 6.757 1.00 0.00 C ATOM 1160 C PHE A 75 -0.561 -5.588 6.269 1.00 0.00 C ATOM 1161 O PHE A 75 -1.002 -6.412 7.046 1.00 0.00 O ATOM 1162 CB PHE A 75 -0.533 -3.133 6.735 1.00 0.00 C ATOM 1163 CG PHE A 75 -1.658 -3.241 7.737 1.00 0.00 C ATOM 1164 CD1 PHE A 75 -1.420 -2.965 9.088 1.00 0.00 C ATOM 1165 CD2 PHE A 75 -2.938 -3.615 7.313 1.00 0.00 C ATOM 1166 CE1 PHE A 75 -2.464 -3.064 10.017 1.00 0.00 C ATOM 1167 CE2 PHE A 75 -3.982 -3.714 8.241 1.00 0.00 C ATOM 1168 CZ PHE A 75 -3.745 -3.438 9.593 1.00 0.00 C ATOM 0 H PHE A 75 1.532 -3.372 5.369 1.00 0.00 H new ATOM 0 HA PHE A 75 0.625 -4.617 7.776 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.099 -2.277 6.973 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.936 -2.964 5.736 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.432 -2.676 9.414 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.121 -3.827 6.270 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.281 -2.852 11.060 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.970 -4.003 7.914 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.550 -3.514 10.309 1.00 0.00 H new ATOM 1178 N VAL A 76 -0.800 -5.670 4.989 1.00 0.00 N ATOM 1179 CA VAL A 76 -1.623 -6.783 4.457 1.00 0.00 C ATOM 1180 C VAL A 76 -0.900 -8.113 4.685 1.00 0.00 C ATOM 1181 O VAL A 76 -1.481 -9.074 5.149 1.00 0.00 O ATOM 1182 CB VAL A 76 -1.838 -6.562 2.961 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -2.646 -7.720 2.388 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -2.601 -5.253 2.745 1.00 0.00 C ATOM 0 H VAL A 76 -0.458 -5.011 4.290 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.585 -6.812 4.969 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.872 -6.508 2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.800 -7.563 1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.105 -8.653 2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.612 -7.773 2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.755 -5.094 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.567 -5.308 3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.025 -4.424 3.156 1.00 0.00 H new ATOM 1194 N VAL A 77 0.366 -8.179 4.365 1.00 0.00 N ATOM 1195 CA VAL A 77 1.118 -9.444 4.568 1.00 0.00 C ATOM 1196 C VAL A 77 1.299 -9.703 6.066 1.00 0.00 C ATOM 1197 O VAL A 77 1.095 -10.798 6.549 1.00 0.00 O ATOM 1198 CB VAL A 77 2.487 -9.316 3.904 1.00 0.00 C ATOM 1199 CG1 VAL A 77 3.359 -10.496 4.314 1.00 0.00 C ATOM 1200 CG2 VAL A 77 2.317 -9.311 2.383 1.00 0.00 C ATOM 0 H VAL A 77 0.908 -7.410 3.972 1.00 0.00 H new ATOM 0 HA VAL A 77 0.567 -10.274 4.127 1.00 0.00 H new ATOM 0 HB VAL A 77 2.960 -8.386 4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.337 -10.407 3.841 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.479 -10.501 5.397 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.886 -11.425 3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.294 -9.220 1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.845 -10.241 2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.691 -8.468 2.090 1.00 0.00 H new ATOM 1210 N GLY A 78 1.688 -8.697 6.798 1.00 0.00 N ATOM 1211 CA GLY A 78 1.896 -8.866 8.263 1.00 0.00 C ATOM 1212 C GLY A 78 0.573 -9.212 8.951 1.00 0.00 C ATOM 1213 O GLY A 78 0.546 -9.887 9.960 1.00 0.00 O ATOM 0 H GLY A 78 1.872 -7.759 6.442 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.626 -9.655 8.445 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.305 -7.949 8.687 1.00 0.00 H new ATOM 1217 N ALA A 79 -0.523 -8.737 8.428 1.00 0.00 N ATOM 1218 CA ALA A 79 -1.838 -9.024 9.069 1.00 0.00 C ATOM 1219 C ALA A 79 -2.171 -10.514 8.966 1.00 0.00 C ATOM 1220 O ALA A 79 -2.696 -11.104 9.888 1.00 0.00 O ATOM 1221 CB ALA A 79 -2.930 -8.210 8.371 1.00 0.00 C ATOM 0 H ALA A 79 -0.566 -8.163 7.586 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.784 -8.749 10.122 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.893 -8.418 8.838 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.705 -7.147 8.461 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.971 -8.484 7.317 1.00 0.00 H new ATOM 1227 N THR A 80 -1.877 -11.129 7.855 1.00 0.00 N ATOM 1228 CA THR A 80 -2.189 -12.579 7.708 1.00 0.00 C ATOM 1229 C THR A 80 -1.065 -13.413 8.315 1.00 0.00 C ATOM 1230 O THR A 80 -1.279 -14.517 8.774 1.00 0.00 O ATOM 1231 CB THR A 80 -2.337 -12.921 6.223 1.00 0.00 C ATOM 1232 OG1 THR A 80 -1.090 -12.729 5.568 1.00 0.00 O ATOM 1233 CG2 THR A 80 -3.394 -12.013 5.593 1.00 0.00 C ATOM 0 H THR A 80 -1.436 -10.693 7.045 1.00 0.00 H new ATOM 0 HA THR A 80 -3.121 -12.802 8.227 1.00 0.00 H new ATOM 0 HB THR A 80 -2.646 -13.961 6.117 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.573 -12.045 6.042 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.499 -12.256 4.536 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.349 -12.162 6.097 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.088 -10.972 5.697 1.00 0.00 H new ATOM 1241 N THR A 81 0.131 -12.898 8.312 1.00 0.00 N ATOM 1242 CA THR A 81 1.271 -13.659 8.877 1.00 0.00 C ATOM 1243 C THR A 81 2.096 -12.750 9.795 1.00 0.00 C ATOM 1244 O THR A 81 2.113 -11.549 9.630 1.00 0.00 O ATOM 1245 CB THR A 81 2.147 -14.158 7.732 1.00 0.00 C ATOM 1246 OG1 THR A 81 1.943 -13.337 6.591 1.00 0.00 O ATOM 1247 CG2 THR A 81 1.779 -15.604 7.397 1.00 0.00 C ATOM 0 H THR A 81 0.366 -11.978 7.940 1.00 0.00 H new ATOM 0 HA THR A 81 0.898 -14.505 9.455 1.00 0.00 H new ATOM 0 HB THR A 81 3.195 -14.114 8.029 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.991 -12.394 6.854 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.406 -15.959 6.579 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.937 -16.232 8.274 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.732 -15.653 7.099 1.00 0.00 H new ATOM 1255 N PRO A 82 2.782 -13.320 10.752 1.00 0.00 N ATOM 1256 CA PRO A 82 3.628 -12.540 11.700 1.00 0.00 C ATOM 1257 C PRO A 82 4.734 -11.771 10.958 1.00 0.00 C ATOM 1258 O PRO A 82 5.645 -12.371 10.421 1.00 0.00 O ATOM 1259 CB PRO A 82 4.246 -13.603 12.619 1.00 0.00 C ATOM 1260 CG PRO A 82 4.063 -14.910 11.918 1.00 0.00 C ATOM 1261 CD PRO A 82 2.832 -14.760 11.031 1.00 0.00 C ATOM 0 HA PRO A 82 3.049 -11.793 12.243 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.302 -13.400 12.796 1.00 0.00 H new ATOM 0 HB3 PRO A 82 3.755 -13.610 13.592 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.942 -15.157 11.322 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.927 -15.719 12.636 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.924 -15.343 10.115 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.929 -15.102 11.537 1.00 0.00 H new ATOM 1269 N PRO A 83 4.660 -10.461 10.903 1.00 0.00 N ATOM 1270 CA PRO A 83 5.676 -9.641 10.187 1.00 0.00 C ATOM 1271 C PRO A 83 6.987 -9.501 10.959 1.00 0.00 C ATOM 1272 O PRO A 83 7.020 -9.541 12.173 1.00 0.00 O ATOM 1273 CB PRO A 83 5.012 -8.278 10.028 1.00 0.00 C ATOM 1274 CG PRO A 83 3.999 -8.187 11.121 1.00 0.00 C ATOM 1275 CD PRO A 83 3.616 -9.617 11.512 1.00 0.00 C ATOM 0 HA PRO A 83 5.954 -10.107 9.242 1.00 0.00 H new ATOM 0 HB2 PRO A 83 5.745 -7.475 10.107 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.541 -8.185 9.050 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.407 -7.651 11.978 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.122 -7.633 10.786 1.00 0.00 H new ATOM 0 HD2 PRO A 83 3.590 -9.738 12.595 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.626 -9.879 11.138 1.00 0.00 H new ATOM 1283 N VAL A 84 8.064 -9.320 10.251 1.00 0.00 N ATOM 1284 CA VAL A 84 9.385 -9.154 10.920 1.00 0.00 C ATOM 1285 C VAL A 84 9.755 -7.672 10.900 1.00 0.00 C ATOM 1286 O VAL A 84 9.625 -7.009 9.889 1.00 0.00 O ATOM 1287 CB VAL A 84 10.446 -9.960 10.169 1.00 0.00 C ATOM 1288 CG1 VAL A 84 11.784 -9.853 10.903 1.00 0.00 C ATOM 1289 CG2 VAL A 84 10.018 -11.428 10.104 1.00 0.00 C ATOM 0 H VAL A 84 8.088 -9.279 9.232 1.00 0.00 H new ATOM 0 HA VAL A 84 9.332 -9.512 11.948 1.00 0.00 H new ATOM 0 HB VAL A 84 10.553 -9.566 9.159 1.00 0.00 H new ATOM 0 HG11 VAL A 84 12.540 -10.428 10.367 1.00 0.00 H new ATOM 0 HG12 VAL A 84 12.090 -8.808 10.952 1.00 0.00 H new ATOM 0 HG13 VAL A 84 11.677 -10.247 11.914 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.773 -12.004 9.569 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.911 -11.821 11.115 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.065 -11.506 9.582 1.00 0.00 H new ATOM 1299 N GLU A 85 10.205 -7.138 12.004 1.00 0.00 N ATOM 1300 CA GLU A 85 10.563 -5.692 12.032 1.00 0.00 C ATOM 1301 C GLU A 85 9.479 -4.900 11.297 1.00 0.00 C ATOM 1302 O GLU A 85 9.691 -4.390 10.216 1.00 0.00 O ATOM 1303 CB GLU A 85 11.911 -5.486 11.335 1.00 0.00 C ATOM 1304 CG GLU A 85 12.999 -6.252 12.090 1.00 0.00 C ATOM 1305 CD GLU A 85 14.357 -5.988 11.437 1.00 0.00 C ATOM 1306 OE1 GLU A 85 14.375 -5.394 10.372 1.00 0.00 O ATOM 1307 OE2 GLU A 85 15.357 -6.384 12.014 1.00 0.00 O ATOM 0 H GLU A 85 10.339 -7.638 12.883 1.00 0.00 H new ATOM 0 HA GLU A 85 10.637 -5.348 13.064 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.856 -5.834 10.303 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.156 -4.424 11.301 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.019 -5.941 13.134 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.780 -7.320 12.080 1.00 0.00 H new ATOM 1314 N ALA A 86 8.312 -4.807 11.875 1.00 0.00 N ATOM 1315 CA ALA A 86 7.204 -4.064 11.213 1.00 0.00 C ATOM 1316 C ALA A 86 7.693 -2.682 10.778 1.00 0.00 C ATOM 1317 O ALA A 86 8.544 -2.084 11.406 1.00 0.00 O ATOM 1318 CB ALA A 86 6.040 -3.907 12.193 1.00 0.00 C ATOM 0 H ALA A 86 8.079 -5.215 12.780 1.00 0.00 H new ATOM 0 HA ALA A 86 6.872 -4.620 10.336 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.228 -3.363 11.710 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.686 -4.892 12.498 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.375 -3.354 13.070 1.00 0.00 H new ATOM 1324 N LYS A 87 7.156 -2.170 9.704 1.00 0.00 N ATOM 1325 CA LYS A 87 7.580 -0.828 9.219 1.00 0.00 C ATOM 1326 C LYS A 87 7.374 0.197 10.335 1.00 0.00 C ATOM 1327 O LYS A 87 6.628 -0.028 11.268 1.00 0.00 O ATOM 1328 CB LYS A 87 6.738 -0.438 8.000 1.00 0.00 C ATOM 1329 CG LYS A 87 7.371 0.768 7.300 1.00 0.00 C ATOM 1330 CD LYS A 87 6.483 1.200 6.131 1.00 0.00 C ATOM 1331 CE LYS A 87 7.227 2.222 5.269 1.00 0.00 C ATOM 1332 NZ LYS A 87 8.485 2.632 5.953 1.00 0.00 N ATOM 0 H LYS A 87 6.439 -2.626 9.140 1.00 0.00 H new ATOM 0 HA LYS A 87 8.633 -0.853 8.937 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.671 -1.278 7.309 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.721 -0.198 8.310 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.489 1.591 8.005 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.367 0.512 6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.209 0.333 5.530 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.556 1.633 6.507 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.455 1.793 4.293 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.596 3.093 5.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.757 3.585 5.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.335 2.638 6.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.243 1.960 5.718 1.00 0.00 H new ATOM 1346 N LEU A 88 8.032 1.320 10.253 1.00 0.00 N ATOM 1347 CA LEU A 88 7.878 2.354 11.314 1.00 0.00 C ATOM 1348 C LEU A 88 6.390 2.634 11.541 1.00 0.00 C ATOM 1349 O LEU A 88 5.950 2.838 12.654 1.00 0.00 O ATOM 1350 CB LEU A 88 8.573 3.641 10.869 1.00 0.00 C ATOM 1351 CG LEU A 88 10.031 3.340 10.524 1.00 0.00 C ATOM 1352 CD1 LEU A 88 10.741 4.638 10.136 1.00 0.00 C ATOM 1353 CD2 LEU A 88 10.726 2.724 11.740 1.00 0.00 C ATOM 0 H LEU A 88 8.670 1.566 9.496 1.00 0.00 H new ATOM 0 HA LEU A 88 8.327 1.996 12.241 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.063 4.062 10.003 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.522 4.387 11.662 1.00 0.00 H new ATOM 0 HG LEU A 88 10.070 2.640 9.689 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.781 4.424 9.890 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.246 5.079 9.270 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.702 5.338 10.971 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.766 2.509 11.495 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.687 3.424 12.575 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.220 1.799 12.018 1.00 0.00 H new ATOM 1365 N GLN A 89 5.610 2.644 10.494 1.00 0.00 N ATOM 1366 CA GLN A 89 4.153 2.909 10.655 1.00 0.00 C ATOM 1367 C GLN A 89 3.365 2.056 9.658 1.00 0.00 C ATOM 1368 O GLN A 89 2.343 1.516 10.049 1.00 0.00 O ATOM 1369 CB GLN A 89 3.868 4.390 10.395 1.00 0.00 C ATOM 1370 CG GLN A 89 4.555 5.239 11.465 1.00 0.00 C ATOM 1371 CD GLN A 89 4.294 6.721 11.187 1.00 0.00 C ATOM 1372 OE1 GLN A 89 3.891 7.085 10.101 1.00 0.00 O ATOM 1373 NE2 GLN A 89 4.510 7.597 12.131 1.00 0.00 N ATOM 1374 OXT GLN A 89 3.797 1.958 8.522 1.00 0.00 O ATOM 0 H GLN A 89 5.919 2.480 9.536 1.00 0.00 H new ATOM 0 HA GLN A 89 3.850 2.655 11.671 1.00 0.00 H new ATOM 0 HB2 GLN A 89 4.228 4.672 9.406 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.793 4.572 10.407 1.00 0.00 H new ATOM 0 HG2 GLN A 89 4.179 4.972 12.453 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.627 5.042 11.468 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.849 7.291 13.043 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.340 8.587 11.956 1.00 0.00 H new TER 1383 GLN A 89