USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 905 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -2.86! K(o=-2.9!,f=-1.1) USER MOD Single : A 4 MET CE :methyl 178:sc= 0 (180deg=-0.00365) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= -1.66 X(o=-1.7,f=-1.8) USER MOD Single : A 11 THR OG1 : rot 180:sc= -4.49! USER MOD Single : A 14 HIS : no HD1:sc= -5.29! C(o=-5.3!,f=-9.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0509 USER MOD Single : A 43 TYR OH : rot -100:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -1.29 X(o=-1.3,f=-1) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.828 K(o=-0.83,f=-0.16) USER MOD Single : A 63 ASN : amide:sc= -1.71 K(o=-1.7,f=-2.6!) USER MOD Single : A 64 GLN : amide:sc= -0.145 K(o=-0.15,f=-2.4) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot -45:sc= 1.26 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 91 THR OG1 : rot -13:sc= 0.65 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.343 35.118 -15.307 1.00 0.00 N ATOM 2 CA GLY A 1 3.434 35.069 -16.794 1.00 0.00 C ATOM 3 C GLY A 1 4.678 34.279 -17.204 1.00 0.00 C ATOM 4 O GLY A 1 4.588 33.179 -17.709 1.00 0.00 O ATOM 0 H1 GLY A 1 2.497 35.655 -15.028 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.278 34.150 -14.931 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.190 35.583 -14.922 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.541 34.602 -17.208 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.482 36.080 -17.199 1.00 0.00 H new ATOM 10 N SER A 2 5.840 34.833 -16.989 1.00 0.00 N ATOM 11 CA SER A 2 7.088 34.113 -17.365 1.00 0.00 C ATOM 12 C SER A 2 7.407 33.034 -16.326 1.00 0.00 C ATOM 13 O SER A 2 7.806 31.936 -16.657 1.00 0.00 O ATOM 14 CB SER A 2 8.175 35.187 -17.379 1.00 0.00 C ATOM 15 OG SER A 2 9.372 34.654 -16.828 1.00 0.00 O ATOM 0 H SER A 2 5.978 35.752 -16.570 1.00 0.00 H new ATOM 0 HA SER A 2 7.003 33.610 -18.328 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.352 35.528 -18.399 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.852 36.055 -16.804 1.00 0.00 H new ATOM 0 HG SER A 2 10.071 35.341 -16.838 1.00 0.00 H new ATOM 21 N HIS A 3 7.228 33.338 -15.069 1.00 0.00 N ATOM 22 CA HIS A 3 7.517 32.329 -14.010 1.00 0.00 C ATOM 23 C HIS A 3 6.630 32.583 -12.789 1.00 0.00 C ATOM 24 O HIS A 3 6.039 33.636 -12.649 1.00 0.00 O ATOM 25 CB HIS A 3 8.990 32.536 -13.657 1.00 0.00 C ATOM 26 CG HIS A 3 9.832 31.533 -14.397 1.00 0.00 C ATOM 27 ND1 HIS A 3 11.214 31.514 -14.303 1.00 0.00 N ATOM 28 CD2 HIS A 3 9.500 30.508 -15.247 1.00 0.00 C ATOM 29 CE1 HIS A 3 11.660 30.506 -15.075 1.00 0.00 C ATOM 30 NE2 HIS A 3 10.656 29.859 -15.673 1.00 0.00 N ATOM 0 H HIS A 3 6.895 34.240 -14.730 1.00 0.00 H new ATOM 0 HA HIS A 3 7.319 31.310 -14.342 1.00 0.00 H new ATOM 0 HB2 HIS A 3 9.298 33.548 -13.919 1.00 0.00 H new ATOM 0 HB3 HIS A 3 9.136 32.426 -12.582 1.00 0.00 H new ATOM 0 HD2 HIS A 3 8.495 30.245 -15.541 1.00 0.00 H new ATOM 0 HE1 HIS A 3 12.702 30.251 -15.196 1.00 0.00 H new ATOM 0 HE2 HIS A 3 10.722 29.061 -16.305 1.00 0.00 H new ATOM 38 N MET A 4 6.530 31.628 -11.906 1.00 0.00 N ATOM 39 CA MET A 4 5.677 31.818 -10.696 1.00 0.00 C ATOM 40 C MET A 4 4.240 32.147 -11.109 1.00 0.00 C ATOM 41 O MET A 4 3.964 33.204 -11.642 1.00 0.00 O ATOM 42 CB MET A 4 6.304 32.997 -9.951 1.00 0.00 C ATOM 43 CG MET A 4 7.387 32.481 -9.001 1.00 0.00 C ATOM 44 SD MET A 4 8.993 33.161 -9.491 1.00 0.00 S ATOM 45 CE MET A 4 8.746 34.827 -8.828 1.00 0.00 C ATOM 0 H MET A 4 7.001 30.725 -11.969 1.00 0.00 H new ATOM 0 HA MET A 4 5.632 30.922 -10.077 1.00 0.00 H new ATOM 0 HB2 MET A 4 6.734 33.703 -10.661 1.00 0.00 H new ATOM 0 HB3 MET A 4 5.540 33.535 -9.391 1.00 0.00 H new ATOM 0 HG2 MET A 4 7.155 32.770 -7.976 1.00 0.00 H new ATOM 0 HG3 MET A 4 7.418 31.392 -9.025 1.00 0.00 H new ATOM 0 HE1 MET A 4 9.646 35.421 -8.991 1.00 0.00 H new ATOM 0 HE2 MET A 4 7.904 35.299 -9.334 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.540 34.766 -7.759 1.00 0.00 H new ATOM 55 N GLN A 5 3.323 31.250 -10.869 1.00 0.00 N ATOM 56 CA GLN A 5 1.904 31.511 -11.250 1.00 0.00 C ATOM 57 C GLN A 5 1.129 32.070 -10.052 1.00 0.00 C ATOM 58 O GLN A 5 1.387 31.725 -8.916 1.00 0.00 O ATOM 59 CB GLN A 5 1.347 30.147 -11.663 1.00 0.00 C ATOM 60 CG GLN A 5 1.474 29.980 -13.179 1.00 0.00 C ATOM 61 CD GLN A 5 0.202 29.333 -13.733 1.00 0.00 C ATOM 62 OE1 GLN A 5 -0.680 30.017 -14.217 1.00 0.00 O ATOM 63 NE2 GLN A 5 0.067 28.035 -13.683 1.00 0.00 N ATOM 0 H GLN A 5 3.494 30.347 -10.426 1.00 0.00 H new ATOM 0 HA GLN A 5 1.819 32.244 -12.052 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.889 29.351 -11.152 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.302 30.063 -11.364 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.635 30.950 -13.650 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.341 29.363 -13.416 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.806 27.461 -13.277 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.777 27.596 -14.050 1.00 0.00 H new ATOM 72 N VAL A 6 0.182 32.936 -10.298 1.00 0.00 N ATOM 73 CA VAL A 6 -0.607 33.522 -9.176 1.00 0.00 C ATOM 74 C VAL A 6 -1.649 32.516 -8.674 1.00 0.00 C ATOM 75 O VAL A 6 -2.063 31.627 -9.390 1.00 0.00 O ATOM 76 CB VAL A 6 -1.294 34.750 -9.776 1.00 0.00 C ATOM 77 CG1 VAL A 6 -2.162 35.424 -8.713 1.00 0.00 C ATOM 78 CG2 VAL A 6 -0.233 35.739 -10.266 1.00 0.00 C ATOM 0 H VAL A 6 -0.079 33.263 -11.228 1.00 0.00 H new ATOM 0 HA VAL A 6 0.020 33.779 -8.322 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.920 34.440 -10.613 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.650 36.299 -9.143 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.918 34.722 -8.362 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.537 35.733 -7.875 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.722 36.614 -10.694 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.393 36.046 -9.428 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.386 35.262 -11.026 1.00 0.00 H new ATOM 88 N VAL A 7 -2.073 32.652 -7.447 1.00 0.00 N ATOM 89 CA VAL A 7 -3.088 31.705 -6.898 1.00 0.00 C ATOM 90 C VAL A 7 -4.215 31.488 -7.915 1.00 0.00 C ATOM 91 O VAL A 7 -5.050 32.345 -8.120 1.00 0.00 O ATOM 92 CB VAL A 7 -3.624 32.392 -5.642 1.00 0.00 C ATOM 93 CG1 VAL A 7 -4.816 31.603 -5.096 1.00 0.00 C ATOM 94 CG2 VAL A 7 -2.523 32.448 -4.581 1.00 0.00 C ATOM 0 H VAL A 7 -1.761 33.377 -6.801 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.666 30.724 -6.680 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.942 33.404 -5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.198 32.093 -4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.602 31.563 -5.850 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.499 30.590 -4.848 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.905 32.938 -3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.205 31.435 -4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.673 33.011 -4.968 1.00 0.00 H new ATOM 104 N LEU A 8 -4.245 30.347 -8.549 1.00 0.00 N ATOM 105 CA LEU A 8 -5.319 30.080 -9.549 1.00 0.00 C ATOM 106 C LEU A 8 -6.692 30.401 -8.950 1.00 0.00 C ATOM 107 O LEU A 8 -6.830 30.543 -7.751 1.00 0.00 O ATOM 108 CB LEU A 8 -5.208 28.586 -9.859 1.00 0.00 C ATOM 109 CG LEU A 8 -4.515 28.394 -11.209 1.00 0.00 C ATOM 110 CD1 LEU A 8 -3.209 29.191 -11.235 1.00 0.00 C ATOM 111 CD2 LEU A 8 -4.208 26.908 -11.414 1.00 0.00 C ATOM 0 H LEU A 8 -3.574 29.590 -8.418 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.211 30.693 -10.444 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.644 28.082 -9.074 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.199 28.134 -9.880 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.169 28.747 -12.006 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.717 29.052 -12.198 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.425 30.249 -11.087 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.553 28.840 -10.439 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.714 26.768 -12.375 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.554 26.558 -10.615 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.137 26.339 -11.397 1.00 0.00 H new ATOM 123 N PRO A 9 -7.665 30.505 -9.814 1.00 0.00 N ATOM 124 CA PRO A 9 -9.047 30.814 -9.373 1.00 0.00 C ATOM 125 C PRO A 9 -9.681 29.593 -8.701 1.00 0.00 C ATOM 126 O PRO A 9 -10.112 29.649 -7.567 1.00 0.00 O ATOM 127 CB PRO A 9 -9.771 31.152 -10.674 1.00 0.00 C ATOM 128 CG PRO A 9 -8.997 30.445 -11.742 1.00 0.00 C ATOM 129 CD PRO A 9 -7.570 30.350 -11.269 1.00 0.00 C ATOM 0 HA PRO A 9 -9.092 31.621 -8.642 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.807 30.815 -10.648 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.790 32.228 -10.847 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.409 29.452 -11.923 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.055 30.990 -12.684 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.123 29.393 -11.540 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.950 31.129 -11.713 1.00 0.00 H new ATOM 137 N ASN A 10 -9.743 28.490 -9.395 1.00 0.00 N ATOM 138 CA ASN A 10 -10.350 27.265 -8.799 1.00 0.00 C ATOM 139 C ASN A 10 -9.946 26.031 -9.612 1.00 0.00 C ATOM 140 O ASN A 10 -10.682 25.069 -9.710 1.00 0.00 O ATOM 141 CB ASN A 10 -11.861 27.494 -8.885 1.00 0.00 C ATOM 142 CG ASN A 10 -12.357 28.115 -7.578 1.00 0.00 C ATOM 143 OD1 ASN A 10 -12.784 29.252 -7.555 1.00 0.00 O ATOM 144 ND2 ASN A 10 -12.319 27.411 -6.480 1.00 0.00 N ATOM 0 H ASN A 10 -9.400 28.383 -10.350 1.00 0.00 H new ATOM 0 HA ASN A 10 -10.021 27.093 -7.774 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -12.093 28.151 -9.723 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -12.373 26.549 -9.069 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -12.648 27.815 -5.603 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -11.961 26.456 -6.499 1.00 0.00 H new ATOM 151 N THR A 11 -8.779 26.055 -10.197 1.00 0.00 N ATOM 152 CA THR A 11 -8.323 24.889 -11.008 1.00 0.00 C ATOM 153 C THR A 11 -7.135 24.200 -10.330 1.00 0.00 C ATOM 154 O THR A 11 -6.590 24.690 -9.359 1.00 0.00 O ATOM 155 CB THR A 11 -7.903 25.486 -12.351 1.00 0.00 C ATOM 156 OG1 THR A 11 -6.776 26.330 -12.160 1.00 0.00 O ATOM 157 CG2 THR A 11 -9.059 26.301 -12.932 1.00 0.00 C ATOM 0 H THR A 11 -8.121 26.833 -10.148 1.00 0.00 H new ATOM 0 HA THR A 11 -9.101 24.134 -11.121 1.00 0.00 H new ATOM 0 HB THR A 11 -7.644 24.683 -13.041 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.504 26.712 -13.020 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.759 26.727 -13.890 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.924 25.653 -13.078 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.320 27.105 -12.244 1.00 0.00 H new ATOM 165 N ALA A 12 -6.727 23.066 -10.834 1.00 0.00 N ATOM 166 CA ALA A 12 -5.573 22.350 -10.215 1.00 0.00 C ATOM 167 C ALA A 12 -4.648 21.803 -11.307 1.00 0.00 C ATOM 168 O ALA A 12 -5.011 21.757 -12.461 1.00 0.00 O ATOM 169 CB ALA A 12 -6.194 21.207 -9.412 1.00 0.00 C ATOM 0 H ALA A 12 -7.141 22.606 -11.645 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.970 23.004 -9.585 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.405 20.633 -8.926 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.864 21.616 -8.655 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.757 20.556 -10.081 1.00 0.00 H new ATOM 175 N LEU A 13 -3.455 21.396 -10.956 1.00 0.00 N ATOM 176 CA LEU A 13 -2.520 20.864 -11.993 1.00 0.00 C ATOM 177 C LEU A 13 -1.855 19.561 -11.520 1.00 0.00 C ATOM 178 O LEU A 13 -1.735 19.309 -10.336 1.00 0.00 O ATOM 179 CB LEU A 13 -1.487 21.980 -12.197 1.00 0.00 C ATOM 180 CG LEU A 13 -0.361 21.866 -11.165 1.00 0.00 C ATOM 181 CD1 LEU A 13 0.855 21.206 -11.816 1.00 0.00 C ATOM 182 CD2 LEU A 13 0.023 23.264 -10.673 1.00 0.00 C ATOM 0 H LEU A 13 -3.090 21.409 -10.004 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.033 20.612 -12.921 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.073 21.920 -13.203 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.972 22.952 -12.109 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.698 21.263 -10.322 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.659 21.123 -11.085 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.583 20.212 -12.171 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.191 21.812 -12.657 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.824 23.184 -9.938 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.362 23.866 -11.516 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.844 23.739 -10.214 1.00 0.00 H new ATOM 194 N HIS A 14 -1.417 18.734 -12.441 1.00 0.00 N ATOM 195 CA HIS A 14 -0.752 17.452 -12.049 1.00 0.00 C ATOM 196 C HIS A 14 0.771 17.596 -12.117 1.00 0.00 C ATOM 197 O HIS A 14 1.313 18.080 -13.090 1.00 0.00 O ATOM 198 CB HIS A 14 -1.200 16.416 -13.083 1.00 0.00 C ATOM 199 CG HIS A 14 -2.698 16.356 -13.158 1.00 0.00 C ATOM 200 ND1 HIS A 14 -3.442 17.268 -13.887 1.00 0.00 N ATOM 201 CD2 HIS A 14 -3.602 15.473 -12.626 1.00 0.00 C ATOM 202 CE1 HIS A 14 -4.736 16.914 -13.776 1.00 0.00 C ATOM 203 NE2 HIS A 14 -4.889 15.827 -13.016 1.00 0.00 N ATOM 0 H HIS A 14 -1.492 18.892 -13.446 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.019 17.168 -11.031 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.792 16.671 -14.061 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.804 15.435 -12.818 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.352 14.630 -11.999 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.551 17.445 -14.245 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.762 15.358 -12.774 1.00 0.00 H new ATOM 211 N LEU A 15 1.471 17.163 -11.103 1.00 0.00 N ATOM 212 CA LEU A 15 2.959 17.261 -11.138 1.00 0.00 C ATOM 213 C LEU A 15 3.580 15.969 -10.609 1.00 0.00 C ATOM 214 O LEU A 15 2.960 15.223 -9.877 1.00 0.00 O ATOM 215 CB LEU A 15 3.342 18.455 -10.256 1.00 0.00 C ATOM 216 CG LEU A 15 2.403 18.584 -9.056 1.00 0.00 C ATOM 217 CD1 LEU A 15 3.066 19.476 -8.009 1.00 0.00 C ATOM 218 CD2 LEU A 15 1.086 19.230 -9.492 1.00 0.00 C ATOM 0 H LEU A 15 1.080 16.748 -10.257 1.00 0.00 H new ATOM 0 HA LEU A 15 3.326 17.403 -12.154 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.368 18.337 -9.907 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.309 19.371 -10.846 1.00 0.00 H new ATOM 0 HG LEU A 15 2.202 17.595 -8.644 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.407 19.577 -7.147 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.009 19.029 -7.694 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.256 20.460 -8.437 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.422 19.319 -8.632 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.285 20.221 -9.901 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.612 18.611 -10.254 1.00 0.00 H new ATOM 230 N LYS A 16 4.800 15.692 -10.987 1.00 0.00 N ATOM 231 CA LYS A 16 5.454 14.439 -10.520 1.00 0.00 C ATOM 232 C LYS A 16 6.541 14.747 -9.490 1.00 0.00 C ATOM 233 O LYS A 16 7.457 15.502 -9.749 1.00 0.00 O ATOM 234 CB LYS A 16 6.064 13.816 -11.774 1.00 0.00 C ATOM 235 CG LYS A 16 5.332 12.513 -12.102 1.00 0.00 C ATOM 236 CD LYS A 16 5.949 11.880 -13.350 1.00 0.00 C ATOM 237 CE LYS A 16 7.407 11.514 -13.068 1.00 0.00 C ATOM 238 NZ LYS A 16 7.612 10.202 -13.742 1.00 0.00 N ATOM 0 H LYS A 16 5.369 16.279 -11.597 1.00 0.00 H new ATOM 0 HA LYS A 16 4.746 13.768 -10.033 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.988 14.509 -12.612 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.125 13.620 -11.617 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.400 11.824 -11.260 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.273 12.710 -12.267 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.388 10.990 -13.635 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.893 12.574 -14.189 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.087 12.270 -13.461 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.596 11.441 -11.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.591 9.885 -13.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.956 9.500 -13.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.432 10.303 -14.761 1.00 0.00 H new ATOM 252 N ALA A 17 6.448 14.169 -8.325 1.00 0.00 N ATOM 253 CA ALA A 17 7.476 14.431 -7.281 1.00 0.00 C ATOM 254 C ALA A 17 8.703 13.550 -7.517 1.00 0.00 C ATOM 255 O ALA A 17 8.623 12.334 -7.510 1.00 0.00 O ATOM 256 CB ALA A 17 6.805 14.076 -5.953 1.00 0.00 C ATOM 0 H ALA A 17 5.704 13.527 -8.051 1.00 0.00 H new ATOM 0 HA ALA A 17 7.819 15.465 -7.294 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.505 14.245 -5.135 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.924 14.702 -5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.507 13.028 -5.965 1.00 0.00 H new ATOM 262 N LEU A 18 9.838 14.159 -7.726 1.00 0.00 N ATOM 263 CA LEU A 18 11.081 13.372 -7.963 1.00 0.00 C ATOM 264 C LEU A 18 11.918 13.324 -6.683 1.00 0.00 C ATOM 265 O LEU A 18 12.603 14.269 -6.343 1.00 0.00 O ATOM 266 CB LEU A 18 11.821 14.137 -9.061 1.00 0.00 C ATOM 267 CG LEU A 18 11.478 13.548 -10.432 1.00 0.00 C ATOM 268 CD1 LEU A 18 12.223 12.225 -10.614 1.00 0.00 C ATOM 269 CD2 LEU A 18 9.970 13.301 -10.525 1.00 0.00 C ATOM 0 H LEU A 18 9.958 15.172 -7.743 1.00 0.00 H new ATOM 0 HA LEU A 18 10.877 12.340 -8.250 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.546 15.191 -9.030 1.00 0.00 H new ATOM 0 HB3 LEU A 18 12.896 14.083 -8.892 1.00 0.00 H new ATOM 0 HG LEU A 18 11.777 14.248 -11.212 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.981 11.802 -11.589 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.297 12.400 -10.551 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.923 11.528 -9.832 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.730 12.882 -11.502 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.667 12.602 -9.746 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.438 14.243 -10.394 1.00 0.00 H new ATOM 281 N LEU A 19 11.866 12.237 -5.965 1.00 0.00 N ATOM 282 CA LEU A 19 12.655 12.142 -4.708 1.00 0.00 C ATOM 283 C LEU A 19 12.825 10.679 -4.291 1.00 0.00 C ATOM 284 O LEU A 19 11.954 9.858 -4.500 1.00 0.00 O ATOM 285 CB LEU A 19 11.815 12.890 -3.670 1.00 0.00 C ATOM 286 CG LEU A 19 12.704 13.797 -2.813 1.00 0.00 C ATOM 287 CD1 LEU A 19 14.014 13.082 -2.474 1.00 0.00 C ATOM 288 CD2 LEU A 19 13.011 15.085 -3.582 1.00 0.00 C ATOM 0 H LEU A 19 11.312 11.412 -6.195 1.00 0.00 H new ATOM 0 HA LEU A 19 13.656 12.559 -4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.053 13.487 -4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.293 12.176 -3.033 1.00 0.00 H new ATOM 0 HG LEU A 19 12.180 14.037 -1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 19 14.638 13.736 -1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 19 13.797 12.168 -1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 19 14.541 12.832 -3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.643 15.731 -2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.529 14.840 -4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.080 15.602 -3.812 1.00 0.00 H new ATOM 300 N ASP A 20 13.934 10.352 -3.683 1.00 0.00 N ATOM 301 CA ASP A 20 14.148 8.950 -3.226 1.00 0.00 C ATOM 302 C ASP A 20 13.585 8.808 -1.811 1.00 0.00 C ATOM 303 O ASP A 20 14.072 9.417 -0.879 1.00 0.00 O ATOM 304 CB ASP A 20 15.664 8.752 -3.238 1.00 0.00 C ATOM 305 CG ASP A 20 15.983 7.260 -3.351 1.00 0.00 C ATOM 306 OD1 ASP A 20 15.716 6.544 -2.401 1.00 0.00 O ATOM 307 OD2 ASP A 20 16.489 6.860 -4.386 1.00 0.00 O ATOM 0 H ASP A 20 14.700 10.995 -3.484 1.00 0.00 H new ATOM 0 HA ASP A 20 13.654 8.210 -3.855 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.106 9.293 -4.075 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.102 9.160 -2.327 1.00 0.00 H new ATOM 312 N PHE A 21 12.545 8.039 -1.643 1.00 0.00 N ATOM 313 CA PHE A 21 11.943 7.905 -0.286 1.00 0.00 C ATOM 314 C PHE A 21 11.729 6.438 0.097 1.00 0.00 C ATOM 315 O PHE A 21 11.363 5.617 -0.721 1.00 0.00 O ATOM 316 CB PHE A 21 10.598 8.623 -0.396 1.00 0.00 C ATOM 317 CG PHE A 21 10.401 9.516 0.802 1.00 0.00 C ATOM 318 CD1 PHE A 21 10.506 8.986 2.092 1.00 0.00 C ATOM 319 CD2 PHE A 21 10.114 10.875 0.625 1.00 0.00 C ATOM 320 CE1 PHE A 21 10.326 9.811 3.207 1.00 0.00 C ATOM 321 CE2 PHE A 21 9.933 11.703 1.740 1.00 0.00 C ATOM 322 CZ PHE A 21 10.039 11.171 3.031 1.00 0.00 C ATOM 0 H PHE A 21 12.089 7.501 -2.380 1.00 0.00 H new ATOM 0 HA PHE A 21 12.591 8.324 0.484 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.564 9.213 -1.312 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.789 7.894 -0.456 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.727 7.937 2.227 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.032 11.285 -0.371 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.408 9.400 4.202 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.712 12.751 1.604 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.900 11.809 3.891 1.00 0.00 H new ATOM 332 N GLU A 22 11.936 6.111 1.346 1.00 0.00 N ATOM 333 CA GLU A 22 11.727 4.705 1.803 1.00 0.00 C ATOM 334 C GLU A 22 10.390 4.600 2.543 1.00 0.00 C ATOM 335 O GLU A 22 10.145 5.307 3.500 1.00 0.00 O ATOM 336 CB GLU A 22 12.886 4.416 2.759 1.00 0.00 C ATOM 337 CG GLU A 22 14.207 4.831 2.110 1.00 0.00 C ATOM 338 CD GLU A 22 15.205 3.676 2.203 1.00 0.00 C ATOM 339 OE1 GLU A 22 15.411 3.185 3.300 1.00 0.00 O ATOM 340 OE2 GLU A 22 15.746 3.302 1.176 1.00 0.00 O ATOM 0 H GLU A 22 12.242 6.759 2.072 1.00 0.00 H new ATOM 0 HA GLU A 22 11.702 3.998 0.974 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.743 4.959 3.693 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.909 3.355 3.007 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.043 5.101 1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.608 5.713 2.608 1.00 0.00 H new ATOM 347 N ASP A 23 9.519 3.730 2.107 1.00 0.00 N ATOM 348 CA ASP A 23 8.199 3.596 2.788 1.00 0.00 C ATOM 349 C ASP A 23 8.277 2.568 3.921 1.00 0.00 C ATOM 350 O ASP A 23 9.200 1.783 3.998 1.00 0.00 O ATOM 351 CB ASP A 23 7.239 3.117 1.699 1.00 0.00 C ATOM 352 CG ASP A 23 5.801 3.405 2.128 1.00 0.00 C ATOM 353 OD1 ASP A 23 5.622 4.227 3.012 1.00 0.00 O ATOM 354 OD2 ASP A 23 4.902 2.799 1.569 1.00 0.00 O ATOM 0 H ASP A 23 9.664 3.108 1.311 1.00 0.00 H new ATOM 0 HA ASP A 23 7.876 4.534 3.238 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.458 3.622 0.758 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.372 2.049 1.526 1.00 0.00 H new ATOM 359 N LYS A 24 7.308 2.568 4.799 1.00 0.00 N ATOM 360 CA LYS A 24 7.318 1.591 5.927 1.00 0.00 C ATOM 361 C LYS A 24 6.909 0.206 5.425 1.00 0.00 C ATOM 362 O LYS A 24 7.365 -0.806 5.918 1.00 0.00 O ATOM 363 CB LYS A 24 6.285 2.125 6.923 1.00 0.00 C ATOM 364 CG LYS A 24 5.906 1.020 7.914 1.00 0.00 C ATOM 365 CD LYS A 24 4.467 0.567 7.652 1.00 0.00 C ATOM 366 CE LYS A 24 3.502 1.692 8.031 1.00 0.00 C ATOM 367 NZ LYS A 24 2.437 1.648 6.991 1.00 0.00 N ATOM 0 H LYS A 24 6.510 3.203 4.783 1.00 0.00 H new ATOM 0 HA LYS A 24 8.305 1.490 6.378 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.691 2.983 7.458 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.398 2.471 6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.588 0.176 7.812 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.003 1.386 8.936 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.342 0.305 6.601 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.245 -0.328 8.232 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.088 1.539 9.028 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.006 2.659 8.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.735 2.391 7.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.860 1.803 6.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.971 0.718 7.010 1.00 0.00 H new ATOM 381 N ASP A 25 6.049 0.154 4.446 1.00 0.00 N ATOM 382 CA ASP A 25 5.607 -1.164 3.910 1.00 0.00 C ATOM 383 C ASP A 25 6.782 -1.885 3.243 1.00 0.00 C ATOM 384 O ASP A 25 6.827 -3.098 3.187 1.00 0.00 O ATOM 385 CB ASP A 25 4.528 -0.828 2.879 1.00 0.00 C ATOM 386 CG ASP A 25 4.011 -2.118 2.241 1.00 0.00 C ATOM 387 OD1 ASP A 25 4.759 -2.728 1.496 1.00 0.00 O ATOM 388 OD2 ASP A 25 2.874 -2.474 2.508 1.00 0.00 O ATOM 0 H ASP A 25 5.633 0.968 3.994 1.00 0.00 H new ATOM 0 HA ASP A 25 5.233 -1.825 4.692 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.708 -0.292 3.357 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.935 -0.169 2.112 1.00 0.00 H new ATOM 393 N GLY A 26 7.733 -1.149 2.737 1.00 0.00 N ATOM 394 CA GLY A 26 8.903 -1.793 2.077 1.00 0.00 C ATOM 395 C GLY A 26 8.842 -1.545 0.569 1.00 0.00 C ATOM 396 O GLY A 26 9.363 -2.310 -0.218 1.00 0.00 O ATOM 0 H GLY A 26 7.750 -0.129 2.752 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.830 -1.391 2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.904 -2.864 2.280 1.00 0.00 H new ATOM 400 N ASP A 27 8.210 -0.477 0.158 1.00 0.00 N ATOM 401 CA ASP A 27 8.120 -0.180 -1.303 1.00 0.00 C ATOM 402 C ASP A 27 9.104 0.930 -1.676 1.00 0.00 C ATOM 403 O ASP A 27 9.787 0.856 -2.678 1.00 0.00 O ATOM 404 CB ASP A 27 6.678 0.280 -1.530 1.00 0.00 C ATOM 405 CG ASP A 27 6.139 -0.341 -2.820 1.00 0.00 C ATOM 406 OD1 ASP A 27 6.301 0.272 -3.862 1.00 0.00 O ATOM 407 OD2 ASP A 27 5.570 -1.419 -2.744 1.00 0.00 O ATOM 0 H ASP A 27 7.753 0.201 0.768 1.00 0.00 H new ATOM 0 HA ASP A 27 8.370 -1.046 -1.916 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.055 -0.013 -0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.638 1.367 -1.593 1.00 0.00 H new ATOM 412 N LYS A 28 9.183 1.951 -0.868 1.00 0.00 N ATOM 413 CA LYS A 28 10.124 3.077 -1.154 1.00 0.00 C ATOM 414 C LYS A 28 9.826 3.705 -2.522 1.00 0.00 C ATOM 415 O LYS A 28 9.655 3.019 -3.510 1.00 0.00 O ATOM 416 CB LYS A 28 11.518 2.435 -1.138 1.00 0.00 C ATOM 417 CG LYS A 28 12.536 3.367 -1.804 1.00 0.00 C ATOM 418 CD LYS A 28 13.793 2.574 -2.165 1.00 0.00 C ATOM 419 CE LYS A 28 14.784 3.496 -2.877 1.00 0.00 C ATOM 420 NZ LYS A 28 16.123 2.892 -2.628 1.00 0.00 N ATOM 0 H LYS A 28 8.633 2.057 -0.015 1.00 0.00 H new ATOM 0 HA LYS A 28 10.035 3.882 -0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.820 2.229 -0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.492 1.479 -1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.105 3.813 -2.700 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.790 4.186 -1.131 1.00 0.00 H new ATOM 0 HD2 LYS A 28 14.246 2.159 -1.265 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.534 1.733 -2.808 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.571 3.555 -3.944 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.730 4.511 -2.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.855 3.470 -3.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.302 2.855 -1.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.147 1.929 -3.019 1.00 0.00 H new ATOM 434 N VAL A 29 9.776 5.010 -2.586 1.00 0.00 N ATOM 435 CA VAL A 29 9.508 5.686 -3.890 1.00 0.00 C ATOM 436 C VAL A 29 10.844 6.074 -4.536 1.00 0.00 C ATOM 437 O VAL A 29 11.803 6.374 -3.853 1.00 0.00 O ATOM 438 CB VAL A 29 8.653 6.933 -3.562 1.00 0.00 C ATOM 439 CG1 VAL A 29 7.790 6.673 -2.325 1.00 0.00 C ATOM 440 CG2 VAL A 29 9.552 8.144 -3.289 1.00 0.00 C ATOM 0 H VAL A 29 9.909 5.637 -1.792 1.00 0.00 H new ATOM 0 HA VAL A 29 8.980 5.043 -4.594 1.00 0.00 H new ATOM 0 HB VAL A 29 8.015 7.139 -4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.193 7.558 -2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.129 5.827 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.433 6.448 -1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.934 9.012 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.204 7.930 -2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 29 10.159 8.353 -4.170 1.00 0.00 H new ATOM 450 N VAL A 30 10.925 6.061 -5.837 1.00 0.00 N ATOM 451 CA VAL A 30 12.216 6.419 -6.493 1.00 0.00 C ATOM 452 C VAL A 30 11.999 7.448 -7.604 1.00 0.00 C ATOM 453 O VAL A 30 11.867 7.107 -8.762 1.00 0.00 O ATOM 454 CB VAL A 30 12.738 5.104 -7.068 1.00 0.00 C ATOM 455 CG1 VAL A 30 13.148 4.182 -5.920 1.00 0.00 C ATOM 456 CG2 VAL A 30 11.636 4.429 -7.889 1.00 0.00 C ATOM 0 H VAL A 30 10.162 5.821 -6.470 1.00 0.00 H new ATOM 0 HA VAL A 30 12.919 6.871 -5.793 1.00 0.00 H new ATOM 0 HB VAL A 30 13.597 5.302 -7.709 1.00 0.00 H new ATOM 0 HG11 VAL A 30 13.522 3.241 -6.325 1.00 0.00 H new ATOM 0 HG12 VAL A 30 13.931 4.660 -5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 30 12.284 3.986 -5.284 1.00 0.00 H new ATOM 0 HG21 VAL A 30 12.010 3.491 -8.299 1.00 0.00 H new ATOM 0 HG22 VAL A 30 10.777 4.228 -7.249 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.335 5.087 -8.705 1.00 0.00 H new ATOM 466 N ALA A 31 11.977 8.706 -7.262 1.00 0.00 N ATOM 467 CA ALA A 31 11.784 9.756 -8.303 1.00 0.00 C ATOM 468 C ALA A 31 10.703 9.328 -9.299 1.00 0.00 C ATOM 469 O ALA A 31 10.983 9.051 -10.448 1.00 0.00 O ATOM 470 CB ALA A 31 13.142 9.874 -8.995 1.00 0.00 C ATOM 0 H ALA A 31 12.084 9.053 -6.309 1.00 0.00 H new ATOM 0 HA ALA A 31 11.458 10.705 -7.879 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.087 10.629 -9.779 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.898 10.163 -8.265 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.411 8.914 -9.435 1.00 0.00 H new ATOM 476 N GLY A 32 9.471 9.270 -8.870 1.00 0.00 N ATOM 477 CA GLY A 32 8.384 8.860 -9.803 1.00 0.00 C ATOM 478 C GLY A 32 7.012 9.103 -9.166 1.00 0.00 C ATOM 479 O GLY A 32 6.034 8.488 -9.539 1.00 0.00 O ATOM 0 H GLY A 32 9.172 9.488 -7.919 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.464 9.422 -10.734 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.492 7.805 -10.057 1.00 0.00 H new ATOM 483 N ASP A 33 6.919 9.998 -8.216 1.00 0.00 N ATOM 484 CA ASP A 33 5.592 10.261 -7.586 1.00 0.00 C ATOM 485 C ASP A 33 4.824 11.291 -8.412 1.00 0.00 C ATOM 486 O ASP A 33 5.410 12.093 -9.109 1.00 0.00 O ATOM 487 CB ASP A 33 5.899 10.814 -6.195 1.00 0.00 C ATOM 488 CG ASP A 33 6.969 9.950 -5.525 1.00 0.00 C ATOM 489 OD1 ASP A 33 6.652 8.830 -5.159 1.00 0.00 O ATOM 490 OD2 ASP A 33 8.086 10.422 -5.390 1.00 0.00 O ATOM 0 H ASP A 33 7.695 10.552 -7.853 1.00 0.00 H new ATOM 0 HA ASP A 33 4.978 9.362 -7.531 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.244 11.845 -6.270 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.993 10.825 -5.589 1.00 0.00 H new ATOM 495 N GLU A 34 3.521 11.275 -8.346 1.00 0.00 N ATOM 496 CA GLU A 34 2.730 12.258 -9.137 1.00 0.00 C ATOM 497 C GLU A 34 1.358 12.472 -8.498 1.00 0.00 C ATOM 498 O GLU A 34 0.716 11.541 -8.055 1.00 0.00 O ATOM 499 CB GLU A 34 2.591 11.622 -10.521 1.00 0.00 C ATOM 500 CG GLU A 34 1.989 12.633 -11.497 1.00 0.00 C ATOM 501 CD GLU A 34 1.777 11.959 -12.855 1.00 0.00 C ATOM 502 OE1 GLU A 34 2.285 10.865 -13.037 1.00 0.00 O ATOM 503 OE2 GLU A 34 1.111 12.549 -13.689 1.00 0.00 O ATOM 0 H GLU A 34 2.972 10.627 -7.781 1.00 0.00 H new ATOM 0 HA GLU A 34 3.208 13.236 -9.183 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.566 11.293 -10.880 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.957 10.737 -10.463 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.041 13.008 -11.112 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.651 13.492 -11.604 1.00 0.00 H new ATOM 510 N TRP A 35 0.898 13.693 -8.451 1.00 0.00 N ATOM 511 CA TRP A 35 -0.438 13.957 -7.849 1.00 0.00 C ATOM 512 C TRP A 35 -1.007 15.273 -8.367 1.00 0.00 C ATOM 513 O TRP A 35 -0.382 15.978 -9.133 1.00 0.00 O ATOM 514 CB TRP A 35 -0.211 14.012 -6.336 1.00 0.00 C ATOM 515 CG TRP A 35 0.428 15.309 -5.955 1.00 0.00 C ATOM 516 CD1 TRP A 35 -0.175 16.294 -5.249 1.00 0.00 C ATOM 517 CD2 TRP A 35 1.780 15.772 -6.230 1.00 0.00 C ATOM 518 NE1 TRP A 35 0.724 17.329 -5.068 1.00 0.00 N ATOM 519 CE2 TRP A 35 1.944 17.054 -5.654 1.00 0.00 C ATOM 520 CE3 TRP A 35 2.870 15.210 -6.914 1.00 0.00 C ATOM 521 CZ2 TRP A 35 3.149 17.752 -5.754 1.00 0.00 C ATOM 522 CZ3 TRP A 35 4.081 15.908 -7.016 1.00 0.00 C ATOM 523 CH2 TRP A 35 4.222 17.175 -6.436 1.00 0.00 C ATOM 0 H TRP A 35 1.388 14.516 -8.802 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.159 13.183 -8.111 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.161 13.900 -5.814 1.00 0.00 H new ATOM 0 HB3 TRP A 35 0.423 13.181 -6.026 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.192 16.275 -4.886 1.00 0.00 H new ATOM 0 HE1 TRP A 35 0.512 18.190 -4.564 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.774 14.233 -7.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.250 18.730 -5.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 4.912 15.466 -7.546 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.160 17.705 -6.516 1.00 0.00 H new ATOM 534 N LEU A 36 -2.201 15.600 -7.964 1.00 0.00 N ATOM 535 CA LEU A 36 -2.830 16.858 -8.444 1.00 0.00 C ATOM 536 C LEU A 36 -2.502 18.022 -7.507 1.00 0.00 C ATOM 537 O LEU A 36 -2.051 17.834 -6.396 1.00 0.00 O ATOM 538 CB LEU A 36 -4.331 16.578 -8.425 1.00 0.00 C ATOM 539 CG LEU A 36 -5.074 17.760 -9.047 1.00 0.00 C ATOM 540 CD1 LEU A 36 -4.601 17.958 -10.487 1.00 0.00 C ATOM 541 CD2 LEU A 36 -6.578 17.481 -9.039 1.00 0.00 C ATOM 0 H LEU A 36 -2.769 15.049 -7.321 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.469 17.139 -9.434 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.549 15.665 -8.979 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.670 16.419 -7.401 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.869 18.661 -8.469 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.131 18.801 -10.931 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.530 18.158 -10.494 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.805 17.056 -11.064 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.107 18.324 -9.483 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.784 16.579 -9.616 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.916 17.340 -8.013 1.00 0.00 H new ATOM 553 N PHE A 37 -2.740 19.224 -7.953 1.00 0.00 N ATOM 554 CA PHE A 37 -2.459 20.412 -7.102 1.00 0.00 C ATOM 555 C PHE A 37 -3.630 21.393 -7.193 1.00 0.00 C ATOM 556 O PHE A 37 -3.862 21.993 -8.220 1.00 0.00 O ATOM 557 CB PHE A 37 -1.190 21.027 -7.693 1.00 0.00 C ATOM 558 CG PHE A 37 -0.375 21.662 -6.593 1.00 0.00 C ATOM 559 CD1 PHE A 37 -1.017 22.193 -5.468 1.00 0.00 C ATOM 560 CD2 PHE A 37 1.020 21.719 -6.697 1.00 0.00 C ATOM 561 CE1 PHE A 37 -0.262 22.781 -4.445 1.00 0.00 C ATOM 562 CE2 PHE A 37 1.774 22.307 -5.674 1.00 0.00 C ATOM 563 CZ PHE A 37 1.133 22.838 -4.549 1.00 0.00 C ATOM 0 H PHE A 37 -3.119 19.435 -8.876 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.331 20.159 -6.050 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.603 20.260 -8.198 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.451 21.773 -8.443 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.093 22.149 -5.389 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.514 21.310 -7.566 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.756 23.190 -3.576 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.850 22.351 -5.753 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.715 23.292 -3.761 1.00 0.00 H new ATOM 573 N GLU A 38 -4.378 21.551 -6.133 1.00 0.00 N ATOM 574 CA GLU A 38 -5.541 22.489 -6.174 1.00 0.00 C ATOM 575 C GLU A 38 -5.091 23.913 -5.841 1.00 0.00 C ATOM 576 O GLU A 38 -4.398 24.143 -4.869 1.00 0.00 O ATOM 577 CB GLU A 38 -6.505 21.969 -5.104 1.00 0.00 C ATOM 578 CG GLU A 38 -7.894 22.571 -5.328 1.00 0.00 C ATOM 579 CD GLU A 38 -7.883 24.051 -4.941 1.00 0.00 C ATOM 580 OE1 GLU A 38 -7.120 24.407 -4.057 1.00 0.00 O ATOM 581 OE2 GLU A 38 -8.637 24.804 -5.534 1.00 0.00 O ATOM 0 H GLU A 38 -4.236 21.073 -5.243 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.004 22.527 -7.160 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.558 20.881 -5.146 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.139 22.232 -4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.185 22.461 -6.373 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.633 22.035 -4.733 1.00 0.00 H new ATOM 588 N GLY A 39 -5.480 24.875 -6.636 1.00 0.00 N ATOM 589 CA GLY A 39 -5.068 26.278 -6.352 1.00 0.00 C ATOM 590 C GLY A 39 -3.545 26.347 -6.244 1.00 0.00 C ATOM 591 O GLY A 39 -3.016 26.942 -5.326 1.00 0.00 O ATOM 0 H GLY A 39 -6.062 24.750 -7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.418 26.939 -7.145 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.526 26.623 -5.425 1.00 0.00 H new ATOM 595 N PRO A 40 -2.886 25.720 -7.183 1.00 0.00 N ATOM 596 CA PRO A 40 -1.404 25.698 -7.184 1.00 0.00 C ATOM 597 C PRO A 40 -0.852 27.100 -7.442 1.00 0.00 C ATOM 598 O PRO A 40 -0.165 27.652 -6.613 1.00 0.00 O ATOM 599 CB PRO A 40 -1.059 24.735 -8.321 1.00 0.00 C ATOM 600 CG PRO A 40 -2.254 24.756 -9.216 1.00 0.00 C ATOM 601 CD PRO A 40 -3.447 24.997 -8.328 1.00 0.00 C ATOM 0 HA PRO A 40 -0.973 25.383 -6.234 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.162 25.055 -8.851 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.865 23.731 -7.944 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.163 25.542 -9.966 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.354 23.813 -9.753 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.213 25.583 -8.836 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.914 24.061 -8.021 1.00 0.00 H new ATOM 609 N GLY A 41 -1.165 27.678 -8.575 1.00 0.00 N ATOM 610 CA GLY A 41 -0.676 29.056 -8.895 1.00 0.00 C ATOM 611 C GLY A 41 0.755 29.254 -8.388 1.00 0.00 C ATOM 612 O GLY A 41 1.714 29.051 -9.103 1.00 0.00 O ATOM 0 H GLY A 41 -1.743 27.251 -9.298 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.711 29.219 -9.972 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.334 29.796 -8.439 1.00 0.00 H new ATOM 616 N THR A 42 0.901 29.653 -7.152 1.00 0.00 N ATOM 617 CA THR A 42 2.259 29.875 -6.573 1.00 0.00 C ATOM 618 C THR A 42 3.159 28.633 -6.719 1.00 0.00 C ATOM 619 O THR A 42 4.336 28.684 -6.422 1.00 0.00 O ATOM 620 CB THR A 42 2.001 30.171 -5.095 1.00 0.00 C ATOM 621 OG1 THR A 42 0.895 29.399 -4.646 1.00 0.00 O ATOM 622 CG2 THR A 42 1.692 31.658 -4.915 1.00 0.00 C ATOM 0 H THR A 42 0.128 29.837 -6.512 1.00 0.00 H new ATOM 0 HA THR A 42 2.783 30.682 -7.086 1.00 0.00 H new ATOM 0 HB THR A 42 2.886 29.914 -4.513 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.729 29.586 -3.698 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.508 31.866 -3.861 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.540 32.250 -5.260 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.807 31.919 -5.496 1.00 0.00 H new ATOM 630 N TYR A 43 2.631 27.520 -7.163 1.00 0.00 N ATOM 631 CA TYR A 43 3.485 26.305 -7.306 1.00 0.00 C ATOM 632 C TYR A 43 4.521 26.517 -8.416 1.00 0.00 C ATOM 633 O TYR A 43 4.199 26.919 -9.516 1.00 0.00 O ATOM 634 CB TYR A 43 2.510 25.176 -7.680 1.00 0.00 C ATOM 635 CG TYR A 43 3.240 24.097 -8.450 1.00 0.00 C ATOM 636 CD1 TYR A 43 4.158 23.269 -7.793 1.00 0.00 C ATOM 637 CD2 TYR A 43 3.007 23.935 -9.822 1.00 0.00 C ATOM 638 CE1 TYR A 43 4.843 22.278 -8.509 1.00 0.00 C ATOM 639 CE2 TYR A 43 3.690 22.942 -10.537 1.00 0.00 C ATOM 640 CZ TYR A 43 4.608 22.115 -9.880 1.00 0.00 C ATOM 641 OH TYR A 43 5.284 21.139 -10.585 1.00 0.00 O ATOM 0 H TYR A 43 1.654 27.402 -7.430 1.00 0.00 H new ATOM 0 HA TYR A 43 4.039 26.077 -6.396 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.066 24.754 -6.778 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.693 25.574 -8.281 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.338 23.394 -6.735 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.301 24.576 -10.329 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.552 21.640 -8.003 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.508 22.815 -11.594 1.00 0.00 H new ATOM 0 HH TYR A 43 6.032 21.545 -11.071 1.00 0.00 H new ATOM 651 N ILE A 44 5.763 26.243 -8.127 1.00 0.00 N ATOM 652 CA ILE A 44 6.833 26.418 -9.148 1.00 0.00 C ATOM 653 C ILE A 44 7.516 25.074 -9.413 1.00 0.00 C ATOM 654 O ILE A 44 7.627 24.251 -8.526 1.00 0.00 O ATOM 655 CB ILE A 44 7.810 27.410 -8.512 1.00 0.00 C ATOM 656 CG1 ILE A 44 7.208 28.816 -8.564 1.00 0.00 C ATOM 657 CG2 ILE A 44 9.139 27.400 -9.271 1.00 0.00 C ATOM 658 CD1 ILE A 44 7.876 29.696 -7.506 1.00 0.00 C ATOM 0 H ILE A 44 6.084 25.903 -7.221 1.00 0.00 H new ATOM 0 HA ILE A 44 6.455 26.777 -10.106 1.00 0.00 H new ATOM 0 HB ILE A 44 7.989 27.121 -7.476 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.351 29.248 -9.555 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.133 28.770 -8.388 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.827 28.109 -8.810 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.571 26.400 -9.235 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.967 27.684 -10.309 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.448 30.698 -7.543 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.710 29.266 -6.518 1.00 0.00 H new ATOM 0 HD13 ILE A 44 8.947 29.752 -7.702 1.00 0.00 H new ATOM 670 N PRO A 45 7.954 24.895 -10.630 1.00 0.00 N ATOM 671 CA PRO A 45 8.635 23.632 -11.013 1.00 0.00 C ATOM 672 C PRO A 45 9.994 23.524 -10.316 1.00 0.00 C ATOM 673 O PRO A 45 11.010 23.924 -10.847 1.00 0.00 O ATOM 674 CB PRO A 45 8.795 23.759 -12.526 1.00 0.00 C ATOM 675 CG PRO A 45 8.764 25.228 -12.793 1.00 0.00 C ATOM 676 CD PRO A 45 7.862 25.835 -11.751 1.00 0.00 C ATOM 0 HA PRO A 45 8.082 22.738 -10.725 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.732 23.316 -12.863 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.991 23.244 -13.053 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.766 25.654 -12.734 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.389 25.432 -13.796 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.193 26.834 -11.466 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.838 25.930 -12.112 1.00 0.00 H new ATOM 684 N ARG A 46 10.015 22.983 -9.129 1.00 0.00 N ATOM 685 CA ARG A 46 11.304 22.845 -8.393 1.00 0.00 C ATOM 686 C ARG A 46 11.887 21.446 -8.610 1.00 0.00 C ATOM 687 O ARG A 46 11.180 20.514 -8.938 1.00 0.00 O ATOM 688 CB ARG A 46 10.941 23.054 -6.921 1.00 0.00 C ATOM 689 CG ARG A 46 10.915 24.552 -6.608 1.00 0.00 C ATOM 690 CD ARG A 46 12.345 25.098 -6.596 1.00 0.00 C ATOM 691 NE ARG A 46 12.192 26.555 -6.336 1.00 0.00 N ATOM 692 CZ ARG A 46 12.193 27.005 -5.111 1.00 0.00 C ATOM 693 NH1 ARG A 46 12.030 26.181 -4.114 1.00 0.00 N ATOM 694 NH2 ARG A 46 12.355 28.280 -4.885 1.00 0.00 N ATOM 0 H ARG A 46 9.195 22.630 -8.636 1.00 0.00 H new ATOM 0 HA ARG A 46 12.055 23.558 -8.733 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.968 22.611 -6.709 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.666 22.551 -6.282 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.320 25.079 -7.353 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.441 24.724 -5.642 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.945 24.619 -5.822 1.00 0.00 H new ATOM 0 HD3 ARG A 46 12.846 24.916 -7.547 1.00 0.00 H new ATOM 0 HE ARG A 46 12.086 27.203 -7.116 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.902 25.185 -4.291 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.031 26.533 -3.156 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.481 28.924 -5.666 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.356 28.632 -3.928 1.00 0.00 H new ATOM 708 N LYS A 47 13.170 21.290 -8.430 1.00 0.00 N ATOM 709 CA LYS A 47 13.790 19.948 -8.629 1.00 0.00 C ATOM 710 C LYS A 47 13.059 18.900 -7.785 1.00 0.00 C ATOM 711 O LYS A 47 13.135 17.716 -8.047 1.00 0.00 O ATOM 712 CB LYS A 47 15.238 20.106 -8.165 1.00 0.00 C ATOM 713 CG LYS A 47 15.934 21.164 -9.024 1.00 0.00 C ATOM 714 CD LYS A 47 16.509 20.508 -10.280 1.00 0.00 C ATOM 715 CE LYS A 47 17.913 21.055 -10.547 1.00 0.00 C ATOM 716 NZ LYS A 47 18.799 19.857 -10.535 1.00 0.00 N ATOM 0 H LYS A 47 13.815 22.031 -8.155 1.00 0.00 H new ATOM 0 HA LYS A 47 13.733 19.614 -9.665 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.265 20.398 -7.115 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.763 19.154 -8.245 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.226 21.945 -9.301 1.00 0.00 H new ATOM 0 HG3 LYS A 47 16.730 21.643 -8.455 1.00 0.00 H new ATOM 0 HD2 LYS A 47 16.547 19.426 -10.153 1.00 0.00 H new ATOM 0 HD3 LYS A 47 15.862 20.706 -11.135 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.960 21.572 -11.506 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.209 21.773 -9.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 19.781 20.150 -10.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 18.738 19.389 -9.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 18.497 19.194 -11.277 1.00 0.00 H new ATOM 730 N GLU A 48 12.345 19.327 -6.780 1.00 0.00 N ATOM 731 CA GLU A 48 11.603 18.353 -5.928 1.00 0.00 C ATOM 732 C GLU A 48 10.556 17.621 -6.771 1.00 0.00 C ATOM 733 O GLU A 48 10.304 16.447 -6.586 1.00 0.00 O ATOM 734 CB GLU A 48 10.926 19.205 -4.855 1.00 0.00 C ATOM 735 CG GLU A 48 10.560 18.324 -3.659 1.00 0.00 C ATOM 736 CD GLU A 48 11.585 18.530 -2.542 1.00 0.00 C ATOM 737 OE1 GLU A 48 11.913 19.674 -2.271 1.00 0.00 O ATOM 738 OE2 GLU A 48 12.024 17.542 -1.978 1.00 0.00 O ATOM 0 H GLU A 48 12.243 20.306 -6.512 1.00 0.00 H new ATOM 0 HA GLU A 48 12.255 17.595 -5.493 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.593 20.007 -4.539 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.031 19.676 -5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.561 18.574 -3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.538 17.276 -3.959 1.00 0.00 H new ATOM 745 N VAL A 49 9.947 18.309 -7.697 1.00 0.00 N ATOM 746 CA VAL A 49 8.916 17.663 -8.560 1.00 0.00 C ATOM 747 C VAL A 49 8.903 18.339 -9.936 1.00 0.00 C ATOM 748 O VAL A 49 9.580 19.322 -10.158 1.00 0.00 O ATOM 749 CB VAL A 49 7.569 17.852 -7.827 1.00 0.00 C ATOM 750 CG1 VAL A 49 7.791 17.867 -6.311 1.00 0.00 C ATOM 751 CG2 VAL A 49 6.910 19.171 -8.250 1.00 0.00 C ATOM 0 H VAL A 49 10.119 19.295 -7.894 1.00 0.00 H new ATOM 0 HA VAL A 49 9.117 16.604 -8.725 1.00 0.00 H new ATOM 0 HB VAL A 49 6.916 17.021 -8.093 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.835 18.001 -5.805 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.238 16.923 -5.999 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.458 18.688 -6.049 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.962 19.289 -7.725 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.569 20.003 -8.001 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.730 19.159 -9.325 1.00 0.00 H new ATOM 761 N GLU A 50 8.144 17.822 -10.862 1.00 0.00 N ATOM 762 CA GLU A 50 8.102 18.444 -12.216 1.00 0.00 C ATOM 763 C GLU A 50 6.652 18.651 -12.667 1.00 0.00 C ATOM 764 O GLU A 50 5.866 17.724 -12.698 1.00 0.00 O ATOM 765 CB GLU A 50 8.800 17.437 -13.130 1.00 0.00 C ATOM 766 CG GLU A 50 10.263 17.841 -13.318 1.00 0.00 C ATOM 767 CD GLU A 50 10.838 17.118 -14.539 1.00 0.00 C ATOM 768 OE1 GLU A 50 11.022 15.915 -14.459 1.00 0.00 O ATOM 769 OE2 GLU A 50 11.087 17.781 -15.534 1.00 0.00 O ATOM 0 H GLU A 50 7.553 16.999 -10.741 1.00 0.00 H new ATOM 0 HA GLU A 50 8.582 19.423 -12.233 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.741 16.438 -12.699 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.296 17.398 -14.096 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.339 18.920 -13.451 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.839 17.588 -12.428 1.00 0.00 H new ATOM 776 N VAL A 51 6.293 19.852 -13.032 1.00 0.00 N ATOM 777 CA VAL A 51 4.896 20.096 -13.493 1.00 0.00 C ATOM 778 C VAL A 51 4.565 19.124 -14.626 1.00 0.00 C ATOM 779 O VAL A 51 5.271 19.042 -15.612 1.00 0.00 O ATOM 780 CB VAL A 51 4.892 21.538 -14.000 1.00 0.00 C ATOM 781 CG1 VAL A 51 6.066 21.748 -14.959 1.00 0.00 C ATOM 782 CG2 VAL A 51 3.579 21.812 -14.734 1.00 0.00 C ATOM 0 H VAL A 51 6.902 20.670 -13.031 1.00 0.00 H new ATOM 0 HA VAL A 51 4.156 19.948 -12.706 1.00 0.00 H new ATOM 0 HB VAL A 51 4.989 22.221 -13.156 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.062 22.777 -15.320 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.002 21.550 -14.437 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.971 21.067 -15.805 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.573 22.840 -15.097 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.484 21.129 -15.578 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.743 21.663 -14.051 1.00 0.00 H new ATOM 792 N VAL A 52 3.511 18.370 -14.488 1.00 0.00 N ATOM 793 CA VAL A 52 3.158 17.390 -15.552 1.00 0.00 C ATOM 794 C VAL A 52 1.977 17.885 -16.386 1.00 0.00 C ATOM 795 O VAL A 52 2.090 18.086 -17.579 1.00 0.00 O ATOM 796 CB VAL A 52 2.782 16.116 -14.800 1.00 0.00 C ATOM 797 CG1 VAL A 52 2.473 15.003 -15.801 1.00 0.00 C ATOM 798 CG2 VAL A 52 3.946 15.687 -13.905 1.00 0.00 C ATOM 0 H VAL A 52 2.880 18.390 -13.687 1.00 0.00 H new ATOM 0 HA VAL A 52 3.982 17.235 -16.249 1.00 0.00 H new ATOM 0 HB VAL A 52 1.902 16.306 -14.185 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.205 14.094 -15.263 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.642 15.307 -16.438 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.352 14.814 -16.417 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.676 14.777 -13.369 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.827 15.499 -14.519 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.165 16.479 -13.189 1.00 0.00 H new ATOM 808 N GLU A 53 0.839 18.074 -15.776 1.00 0.00 N ATOM 809 CA GLU A 53 -0.344 18.543 -16.554 1.00 0.00 C ATOM 810 C GLU A 53 -1.070 19.665 -15.807 1.00 0.00 C ATOM 811 O GLU A 53 -0.751 19.989 -14.680 1.00 0.00 O ATOM 812 CB GLU A 53 -1.260 17.322 -16.675 1.00 0.00 C ATOM 813 CG GLU A 53 -0.436 16.063 -16.969 1.00 0.00 C ATOM 814 CD GLU A 53 0.090 16.116 -18.405 1.00 0.00 C ATOM 815 OE1 GLU A 53 0.361 17.207 -18.877 1.00 0.00 O ATOM 816 OE2 GLU A 53 0.212 15.062 -19.009 1.00 0.00 O ATOM 0 H GLU A 53 0.677 17.925 -14.780 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.052 18.939 -17.527 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.823 17.189 -15.751 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.987 17.482 -17.471 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.396 15.989 -16.269 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.050 15.173 -16.829 1.00 0.00 H new ATOM 823 N ILE A 54 -2.055 20.249 -16.430 1.00 0.00 N ATOM 824 CA ILE A 54 -2.826 21.341 -15.768 1.00 0.00 C ATOM 825 C ILE A 54 -4.321 21.107 -16.006 1.00 0.00 C ATOM 826 O ILE A 54 -4.746 20.833 -17.112 1.00 0.00 O ATOM 827 CB ILE A 54 -2.366 22.657 -16.417 1.00 0.00 C ATOM 828 CG1 ILE A 54 -0.942 22.516 -16.979 1.00 0.00 C ATOM 829 CG2 ILE A 54 -2.377 23.765 -15.360 1.00 0.00 C ATOM 830 CD1 ILE A 54 0.045 22.300 -15.829 1.00 0.00 C ATOM 0 H ILE A 54 -2.362 20.016 -17.375 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.657 21.372 -14.692 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.044 22.902 -17.234 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.896 21.677 -17.674 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.672 23.410 -17.541 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.052 24.702 -15.812 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.387 23.883 -14.967 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.700 23.500 -14.548 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.054 22.200 -16.229 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.006 23.153 -15.151 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.221 21.393 -15.286 1.00 0.00 H new ATOM 842 N ILE A 55 -5.119 21.182 -14.977 1.00 0.00 N ATOM 843 CA ILE A 55 -6.583 20.931 -15.147 1.00 0.00 C ATOM 844 C ILE A 55 -7.411 22.149 -14.713 1.00 0.00 C ATOM 845 O ILE A 55 -7.151 22.765 -13.694 1.00 0.00 O ATOM 846 CB ILE A 55 -6.864 19.702 -14.263 1.00 0.00 C ATOM 847 CG1 ILE A 55 -7.785 18.739 -15.021 1.00 0.00 C ATOM 848 CG2 ILE A 55 -7.521 20.108 -12.936 1.00 0.00 C ATOM 849 CD1 ILE A 55 -9.224 19.258 -14.980 1.00 0.00 C ATOM 0 H ILE A 55 -4.824 21.406 -14.027 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.859 20.756 -16.187 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.916 19.215 -14.034 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.453 18.642 -16.055 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.734 17.746 -14.575 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.707 19.218 -12.335 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.858 20.781 -12.393 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.466 20.613 -13.137 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.874 18.570 -15.520 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.555 19.332 -13.944 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -9.269 20.242 -15.447 1.00 0.00 H new ATOM 861 N GLN A 56 -8.415 22.488 -15.479 1.00 0.00 N ATOM 862 CA GLN A 56 -9.272 23.655 -15.124 1.00 0.00 C ATOM 863 C GLN A 56 -10.516 23.195 -14.358 1.00 0.00 C ATOM 864 O GLN A 56 -10.812 22.020 -14.280 1.00 0.00 O ATOM 865 CB GLN A 56 -9.670 24.273 -16.465 1.00 0.00 C ATOM 866 CG GLN A 56 -8.487 25.053 -17.039 1.00 0.00 C ATOM 867 CD GLN A 56 -7.532 24.087 -17.743 1.00 0.00 C ATOM 868 OE1 GLN A 56 -7.828 23.591 -18.812 1.00 0.00 O ATOM 869 NE2 GLN A 56 -6.391 23.794 -17.182 1.00 0.00 N ATOM 0 H GLN A 56 -8.678 22.004 -16.338 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.752 24.365 -14.481 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -9.976 23.492 -17.161 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.526 24.935 -16.333 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.842 25.807 -17.742 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.964 25.581 -16.241 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.142 24.210 -16.285 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.748 23.149 -17.641 1.00 0.00 H new ATOM 878 N ALA A 57 -11.247 24.119 -13.796 1.00 0.00 N ATOM 879 CA ALA A 57 -12.475 23.747 -13.034 1.00 0.00 C ATOM 880 C ALA A 57 -13.716 23.893 -13.922 1.00 0.00 C ATOM 881 O ALA A 57 -14.027 24.967 -14.395 1.00 0.00 O ATOM 882 CB ALA A 57 -12.530 24.744 -11.878 1.00 0.00 C ATOM 0 H ALA A 57 -11.047 25.119 -13.831 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.451 22.713 -12.689 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.407 24.541 -11.264 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.631 24.646 -11.270 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.591 25.758 -12.274 1.00 0.00 H new ATOM 888 N THR A 58 -14.430 22.823 -14.152 1.00 0.00 N ATOM 889 CA THR A 58 -15.648 22.915 -15.007 1.00 0.00 C ATOM 890 C THR A 58 -16.366 21.562 -15.076 1.00 0.00 C ATOM 891 O THR A 58 -16.262 20.849 -16.054 1.00 0.00 O ATOM 892 CB THR A 58 -15.125 23.309 -16.388 1.00 0.00 C ATOM 893 OG1 THR A 58 -16.215 23.413 -17.294 1.00 0.00 O ATOM 894 CG2 THR A 58 -14.145 22.244 -16.883 1.00 0.00 C ATOM 0 H THR A 58 -14.223 21.894 -13.786 1.00 0.00 H new ATOM 0 HA THR A 58 -16.370 23.632 -14.615 1.00 0.00 H new ATOM 0 HB THR A 58 -14.614 24.270 -16.325 1.00 0.00 H new ATOM 0 HG1 THR A 58 -15.881 23.667 -18.180 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.771 22.523 -17.868 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.310 22.166 -16.187 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.655 21.283 -16.948 1.00 0.00 H new ATOM 902 N ILE A 59 -17.106 21.204 -14.058 1.00 0.00 N ATOM 903 CA ILE A 59 -17.829 19.900 -14.101 1.00 0.00 C ATOM 904 C ILE A 59 -18.658 19.681 -12.816 1.00 0.00 C ATOM 905 O ILE A 59 -19.863 19.536 -12.878 1.00 0.00 O ATOM 906 CB ILE A 59 -16.724 18.843 -14.311 1.00 0.00 C ATOM 907 CG1 ILE A 59 -17.150 17.892 -15.431 1.00 0.00 C ATOM 908 CG2 ILE A 59 -16.460 18.033 -13.041 1.00 0.00 C ATOM 909 CD1 ILE A 59 -15.934 17.543 -16.293 1.00 0.00 C ATOM 0 H ILE A 59 -17.239 21.752 -13.208 1.00 0.00 H new ATOM 0 HA ILE A 59 -18.565 19.847 -14.904 1.00 0.00 H new ATOM 0 HB ILE A 59 -15.804 19.365 -14.573 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -17.582 16.985 -15.008 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -17.922 18.357 -16.044 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -15.676 17.301 -13.233 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -16.143 18.703 -12.241 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -17.373 17.517 -12.742 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -16.236 16.865 -17.091 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -15.522 18.454 -16.727 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -15.176 17.061 -15.675 1.00 0.00 H new ATOM 921 N ILE A 60 -18.048 19.664 -11.654 1.00 0.00 N ATOM 922 CA ILE A 60 -18.857 19.463 -10.407 1.00 0.00 C ATOM 923 C ILE A 60 -19.256 20.824 -9.825 1.00 0.00 C ATOM 924 O ILE A 60 -19.604 21.737 -10.547 1.00 0.00 O ATOM 925 CB ILE A 60 -17.965 18.697 -9.417 1.00 0.00 C ATOM 926 CG1 ILE A 60 -17.094 17.683 -10.165 1.00 0.00 C ATOM 927 CG2 ILE A 60 -18.852 17.957 -8.413 1.00 0.00 C ATOM 928 CD1 ILE A 60 -16.496 16.676 -9.177 1.00 0.00 C ATOM 0 H ILE A 60 -17.044 19.778 -11.515 1.00 0.00 H new ATOM 0 HA ILE A 60 -19.771 18.906 -10.612 1.00 0.00 H new ATOM 0 HB ILE A 60 -17.319 19.404 -8.896 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -17.691 17.161 -10.913 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -16.296 18.200 -10.698 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -18.226 17.411 -7.707 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -19.467 18.676 -7.872 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -19.496 17.256 -8.944 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -15.878 15.959 -9.718 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -15.884 17.204 -8.446 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -17.300 16.148 -8.664 1.00 0.00 H new ATOM 940 N ARG A 61 -19.211 20.970 -8.526 1.00 0.00 N ATOM 941 CA ARG A 61 -19.588 22.275 -7.913 1.00 0.00 C ATOM 942 C ARG A 61 -18.913 22.429 -6.546 1.00 0.00 C ATOM 943 O ARG A 61 -17.948 21.759 -6.240 1.00 0.00 O ATOM 944 CB ARG A 61 -21.109 22.222 -7.766 1.00 0.00 C ATOM 945 CG ARG A 61 -21.767 22.804 -9.021 1.00 0.00 C ATOM 946 CD ARG A 61 -23.109 23.437 -8.647 1.00 0.00 C ATOM 947 NE ARG A 61 -23.556 24.161 -9.873 1.00 0.00 N ATOM 948 CZ ARG A 61 -24.027 23.494 -10.891 1.00 0.00 C ATOM 949 NH1 ARG A 61 -24.839 22.492 -10.696 1.00 0.00 N ATOM 950 NH2 ARG A 61 -23.686 23.829 -12.105 1.00 0.00 N ATOM 0 H ARG A 61 -18.930 20.244 -7.867 1.00 0.00 H new ATOM 0 HA ARG A 61 -19.272 23.125 -8.518 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -21.434 21.192 -7.617 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -21.419 22.785 -6.886 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -21.114 23.550 -9.474 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -21.917 22.020 -9.763 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -23.834 22.678 -8.352 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -23.001 24.120 -7.804 1.00 0.00 H new ATOM 0 HE ARG A 61 -23.493 25.178 -9.915 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -25.106 22.229 -9.747 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -25.207 21.971 -11.492 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -23.051 24.612 -12.259 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -24.054 23.307 -12.900 1.00 0.00 H new ATOM 964 N GLN A 62 -19.403 23.321 -5.729 1.00 0.00 N ATOM 965 CA GLN A 62 -18.780 23.532 -4.392 1.00 0.00 C ATOM 966 C GLN A 62 -19.293 22.506 -3.376 1.00 0.00 C ATOM 967 O GLN A 62 -18.580 21.610 -2.969 1.00 0.00 O ATOM 968 CB GLN A 62 -19.212 24.942 -3.991 1.00 0.00 C ATOM 969 CG GLN A 62 -18.568 25.957 -4.937 1.00 0.00 C ATOM 970 CD GLN A 62 -19.661 26.794 -5.604 1.00 0.00 C ATOM 971 OE1 GLN A 62 -19.548 27.151 -6.760 1.00 0.00 O ATOM 972 NE2 GLN A 62 -20.722 27.123 -4.921 1.00 0.00 N ATOM 0 H GLN A 62 -20.209 23.913 -5.930 1.00 0.00 H new ATOM 0 HA GLN A 62 -17.697 23.415 -4.421 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -20.298 25.027 -4.032 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -18.915 25.147 -2.962 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -17.886 26.603 -4.385 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -17.977 25.441 -5.694 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -20.817 26.823 -3.951 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -21.457 27.680 -5.357 1.00 0.00 H new ATOM 981 N ASN A 63 -20.518 22.641 -2.951 1.00 0.00 N ATOM 982 CA ASN A 63 -21.080 21.689 -1.948 1.00 0.00 C ATOM 983 C ASN A 63 -20.746 20.237 -2.310 1.00 0.00 C ATOM 984 O ASN A 63 -20.431 19.431 -1.460 1.00 0.00 O ATOM 985 CB ASN A 63 -22.590 21.916 -2.003 1.00 0.00 C ATOM 986 CG ASN A 63 -23.097 21.623 -3.418 1.00 0.00 C ATOM 987 OD1 ASN A 63 -23.386 20.490 -3.751 1.00 0.00 O ATOM 988 ND2 ASN A 63 -23.219 22.604 -4.270 1.00 0.00 N ATOM 0 H ASN A 63 -21.159 23.373 -3.256 1.00 0.00 H new ATOM 0 HA ASN A 63 -20.665 21.858 -0.954 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -23.093 21.269 -1.284 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -22.825 22.944 -1.726 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -23.557 22.420 -5.215 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -22.977 23.555 -3.991 1.00 0.00 H new ATOM 995 N GLN A 64 -20.829 19.890 -3.561 1.00 0.00 N ATOM 996 CA GLN A 64 -20.533 18.483 -3.958 1.00 0.00 C ATOM 997 C GLN A 64 -19.136 18.060 -3.493 1.00 0.00 C ATOM 998 O GLN A 64 -18.176 18.792 -3.620 1.00 0.00 O ATOM 999 CB GLN A 64 -20.611 18.477 -5.482 1.00 0.00 C ATOM 1000 CG GLN A 64 -21.682 17.482 -5.933 1.00 0.00 C ATOM 1001 CD GLN A 64 -21.016 16.178 -6.375 1.00 0.00 C ATOM 1002 OE1 GLN A 64 -20.837 15.942 -7.553 1.00 0.00 O ATOM 1003 NE2 GLN A 64 -20.640 15.315 -5.471 1.00 0.00 N ATOM 0 H GLN A 64 -21.088 20.514 -4.325 1.00 0.00 H new ATOM 0 HA GLN A 64 -21.233 17.782 -3.504 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -20.849 19.475 -5.849 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -19.644 18.204 -5.905 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -22.379 17.288 -5.118 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -22.261 17.903 -6.755 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -20.791 15.514 -4.482 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -20.195 14.442 -5.753 1.00 0.00 H new ATOM 1012 N ALA A 65 -19.022 16.869 -2.968 1.00 0.00 N ATOM 1013 CA ALA A 65 -17.699 16.364 -2.503 1.00 0.00 C ATOM 1014 C ALA A 65 -17.365 15.065 -3.242 1.00 0.00 C ATOM 1015 O ALA A 65 -18.234 14.256 -3.512 1.00 0.00 O ATOM 1016 CB ALA A 65 -17.876 16.105 -1.007 1.00 0.00 C ATOM 0 H ALA A 65 -19.797 16.219 -2.841 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.887 17.066 -2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -16.942 15.730 -0.590 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.150 17.034 -0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.663 15.366 -0.856 1.00 0.00 H new ATOM 1022 N LEU A 66 -16.121 14.855 -3.584 1.00 0.00 N ATOM 1023 CA LEU A 66 -15.755 13.604 -4.319 1.00 0.00 C ATOM 1024 C LEU A 66 -14.634 12.858 -3.591 1.00 0.00 C ATOM 1025 O LEU A 66 -13.517 13.321 -3.523 1.00 0.00 O ATOM 1026 CB LEU A 66 -15.268 14.078 -5.691 1.00 0.00 C ATOM 1027 CG LEU A 66 -16.466 14.323 -6.613 1.00 0.00 C ATOM 1028 CD1 LEU A 66 -17.284 13.037 -6.751 1.00 0.00 C ATOM 1029 CD2 LEU A 66 -17.348 15.429 -6.028 1.00 0.00 C ATOM 0 H LEU A 66 -15.346 15.489 -3.389 1.00 0.00 H new ATOM 0 HA LEU A 66 -16.597 12.916 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.687 14.994 -5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.607 13.331 -6.130 1.00 0.00 H new ATOM 0 HG LEU A 66 -16.105 14.628 -7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -18.135 13.216 -7.408 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -16.658 12.251 -7.174 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -17.642 12.726 -5.769 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -18.200 15.601 -6.686 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -17.705 15.127 -5.044 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -16.768 16.347 -5.937 1.00 0.00 H new ATOM 1041 N ARG A 67 -14.917 11.702 -3.055 1.00 0.00 N ATOM 1042 CA ARG A 67 -13.852 10.938 -2.337 1.00 0.00 C ATOM 1043 C ARG A 67 -13.130 9.992 -3.304 1.00 0.00 C ATOM 1044 O ARG A 67 -13.744 9.210 -4.001 1.00 0.00 O ATOM 1045 CB ARG A 67 -14.585 10.147 -1.248 1.00 0.00 C ATOM 1046 CG ARG A 67 -15.714 9.320 -1.868 1.00 0.00 C ATOM 1047 CD ARG A 67 -16.207 8.286 -0.855 1.00 0.00 C ATOM 1048 NE ARG A 67 -17.643 8.617 -0.647 1.00 0.00 N ATOM 1049 CZ ARG A 67 -18.465 7.707 -0.203 1.00 0.00 C ATOM 1050 NH1 ARG A 67 -18.037 6.787 0.619 1.00 0.00 N ATOM 1051 NH2 ARG A 67 -19.713 7.716 -0.582 1.00 0.00 N ATOM 0 H ARG A 67 -15.833 11.254 -3.082 1.00 0.00 H new ATOM 0 HA ARG A 67 -13.092 11.595 -1.914 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -13.885 9.491 -0.731 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -14.992 10.830 -0.503 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -16.535 9.972 -2.166 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -15.360 8.821 -2.770 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -16.085 7.271 -1.234 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -15.647 8.347 0.078 1.00 0.00 H new ATOM 0 HE ARG A 67 -17.984 9.556 -0.852 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -17.060 6.780 0.913 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -18.679 6.075 0.967 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -20.045 8.434 -1.225 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -20.356 7.005 -0.235 1.00 0.00 H new ATOM 1065 N LEU A 68 -11.828 10.071 -3.356 1.00 0.00 N ATOM 1066 CA LEU A 68 -11.060 9.188 -4.284 1.00 0.00 C ATOM 1067 C LEU A 68 -10.028 8.357 -3.511 1.00 0.00 C ATOM 1068 O LEU A 68 -9.349 8.853 -2.631 1.00 0.00 O ATOM 1069 CB LEU A 68 -10.353 10.150 -5.244 1.00 0.00 C ATOM 1070 CG LEU A 68 -11.320 11.251 -5.686 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -10.581 12.254 -6.572 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -12.474 10.630 -6.475 1.00 0.00 C ATOM 0 H LEU A 68 -11.262 10.709 -2.796 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.707 8.481 -4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.484 10.592 -4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.987 9.605 -6.114 1.00 0.00 H new ATOM 0 HG LEU A 68 -11.713 11.762 -4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.270 13.038 -6.887 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.758 12.697 -6.011 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.188 11.743 -7.451 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.163 11.414 -6.790 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -12.080 10.118 -7.353 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -13.002 9.915 -5.845 1.00 0.00 H new ATOM 1084 N ARG A 69 -9.897 7.099 -3.843 1.00 0.00 N ATOM 1085 CA ARG A 69 -8.903 6.236 -3.139 1.00 0.00 C ATOM 1086 C ARG A 69 -7.626 6.119 -3.977 1.00 0.00 C ATOM 1087 O ARG A 69 -7.653 6.268 -5.181 1.00 0.00 O ATOM 1088 CB ARG A 69 -9.582 4.874 -2.999 1.00 0.00 C ATOM 1089 CG ARG A 69 -9.495 4.409 -1.542 1.00 0.00 C ATOM 1090 CD ARG A 69 -9.748 2.902 -1.469 1.00 0.00 C ATOM 1091 NE ARG A 69 -11.201 2.740 -1.752 1.00 0.00 N ATOM 1092 CZ ARG A 69 -11.945 2.014 -0.962 1.00 0.00 C ATOM 1093 NH1 ARG A 69 -11.896 2.195 0.329 1.00 0.00 N ATOM 1094 NH2 ARG A 69 -12.738 1.107 -1.465 1.00 0.00 N ATOM 0 H ARG A 69 -10.436 6.632 -4.572 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.614 6.643 -2.170 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -10.625 4.942 -3.309 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -9.102 4.147 -3.654 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.512 4.643 -1.133 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -10.228 4.941 -0.935 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.142 2.364 -2.198 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.491 2.506 -0.487 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.616 3.197 -2.564 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.276 2.904 0.721 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -12.477 1.628 0.946 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.776 0.966 -2.474 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -13.320 0.539 -0.848 1.00 0.00 H new ATOM 1108 N ALA A 70 -6.510 5.869 -3.348 1.00 0.00 N ATOM 1109 CA ALA A 70 -5.226 5.762 -4.103 1.00 0.00 C ATOM 1110 C ALA A 70 -5.203 4.524 -5.003 1.00 0.00 C ATOM 1111 O ALA A 70 -5.643 3.455 -4.629 1.00 0.00 O ATOM 1112 CB ALA A 70 -4.143 5.648 -3.028 1.00 0.00 C ATOM 0 H ALA A 70 -6.431 5.734 -2.340 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.081 6.620 -4.759 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.166 5.565 -3.503 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.164 6.535 -2.395 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.326 4.763 -2.419 1.00 0.00 H new ATOM 1118 N ARG A 71 -4.663 4.665 -6.183 1.00 0.00 N ATOM 1119 CA ARG A 71 -4.568 3.509 -7.117 1.00 0.00 C ATOM 1120 C ARG A 71 -3.121 3.013 -7.131 1.00 0.00 C ATOM 1121 O ARG A 71 -2.854 1.827 -7.167 1.00 0.00 O ATOM 1122 CB ARG A 71 -4.965 4.066 -8.486 1.00 0.00 C ATOM 1123 CG ARG A 71 -4.513 3.101 -9.585 1.00 0.00 C ATOM 1124 CD ARG A 71 -5.374 1.838 -9.541 1.00 0.00 C ATOM 1125 NE ARG A 71 -6.764 2.313 -9.783 1.00 0.00 N ATOM 1126 CZ ARG A 71 -7.311 2.156 -10.955 1.00 0.00 C ATOM 1127 NH1 ARG A 71 -7.816 1.002 -11.292 1.00 0.00 N ATOM 1128 NH2 ARG A 71 -7.351 3.155 -11.793 1.00 0.00 N ATOM 0 H ARG A 71 -4.281 5.540 -6.542 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.207 2.672 -6.833 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.045 4.206 -8.533 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.509 5.045 -8.638 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.599 3.579 -10.561 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.463 2.843 -9.448 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.063 1.121 -10.301 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.290 1.336 -8.577 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.288 2.761 -9.031 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.783 0.220 -10.638 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.244 0.881 -12.210 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.954 4.057 -11.530 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.779 3.034 -12.711 1.00 0.00 H new ATOM 1142 N LYS A 72 -2.188 3.925 -7.081 1.00 0.00 N ATOM 1143 CA LYS A 72 -0.748 3.541 -7.068 1.00 0.00 C ATOM 1144 C LYS A 72 -0.136 3.928 -5.718 1.00 0.00 C ATOM 1145 O LYS A 72 -0.622 4.813 -5.042 1.00 0.00 O ATOM 1146 CB LYS A 72 -0.104 4.358 -8.191 1.00 0.00 C ATOM 1147 CG LYS A 72 -0.013 3.515 -9.463 1.00 0.00 C ATOM 1148 CD LYS A 72 0.831 2.269 -9.189 1.00 0.00 C ATOM 1149 CE LYS A 72 1.946 2.167 -10.230 1.00 0.00 C ATOM 1150 NZ LYS A 72 2.801 1.039 -9.768 1.00 0.00 N ATOM 0 H LYS A 72 -2.364 4.929 -7.048 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.598 2.471 -7.210 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.691 5.256 -8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.891 4.685 -7.890 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.011 3.226 -9.793 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.432 4.099 -10.268 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.258 2.320 -8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.204 1.378 -9.224 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.542 1.975 -11.224 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.515 3.095 -10.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.590 0.907 -10.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.177 1.253 -8.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.234 0.168 -9.726 1.00 0.00 H new ATOM 1164 N GLU A 73 0.924 3.283 -5.318 1.00 0.00 N ATOM 1165 CA GLU A 73 1.553 3.632 -4.010 1.00 0.00 C ATOM 1166 C GLU A 73 2.558 4.778 -4.192 1.00 0.00 C ATOM 1167 O GLU A 73 3.512 4.901 -3.451 1.00 0.00 O ATOM 1168 CB GLU A 73 2.263 2.356 -3.558 1.00 0.00 C ATOM 1169 CG GLU A 73 3.417 2.042 -4.513 1.00 0.00 C ATOM 1170 CD GLU A 73 3.716 0.543 -4.469 1.00 0.00 C ATOM 1171 OE1 GLU A 73 3.186 -0.120 -3.592 1.00 0.00 O ATOM 1172 OE2 GLU A 73 4.467 0.084 -5.313 1.00 0.00 O ATOM 0 H GLU A 73 1.381 2.533 -5.836 1.00 0.00 H new ATOM 0 HA GLU A 73 0.821 3.970 -3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.641 2.479 -2.543 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.559 1.524 -3.537 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.157 2.343 -5.528 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.303 2.610 -4.230 1.00 0.00 H new ATOM 1179 N CYS A 74 2.350 5.616 -5.173 1.00 0.00 N ATOM 1180 CA CYS A 74 3.293 6.751 -5.401 1.00 0.00 C ATOM 1181 C CYS A 74 2.535 8.084 -5.450 1.00 0.00 C ATOM 1182 O CYS A 74 3.106 9.138 -5.255 1.00 0.00 O ATOM 1183 CB CYS A 74 3.944 6.459 -6.753 1.00 0.00 C ATOM 1184 SG CYS A 74 5.738 6.350 -6.544 1.00 0.00 S ATOM 0 H CYS A 74 1.568 5.564 -5.826 1.00 0.00 H new ATOM 0 HA CYS A 74 4.027 6.837 -4.600 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.557 5.526 -7.162 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.697 7.246 -7.466 1.00 0.00 H new ATOM 0 HG CYS A 74 6.148 7.332 -5.797 1.00 0.00 H new ATOM 1190 N TRP A 75 1.257 8.047 -5.715 1.00 0.00 N ATOM 1191 CA TRP A 75 0.471 9.311 -5.783 1.00 0.00 C ATOM 1192 C TRP A 75 0.239 9.873 -4.376 1.00 0.00 C ATOM 1193 O TRP A 75 -0.544 9.350 -3.609 1.00 0.00 O ATOM 1194 CB TRP A 75 -0.852 8.894 -6.432 1.00 0.00 C ATOM 1195 CG TRP A 75 -1.926 9.883 -6.110 1.00 0.00 C ATOM 1196 CD1 TRP A 75 -1.974 11.144 -6.586 1.00 0.00 C ATOM 1197 CD2 TRP A 75 -3.104 9.718 -5.267 1.00 0.00 C ATOM 1198 NE1 TRP A 75 -3.103 11.769 -6.091 1.00 0.00 N ATOM 1199 CE2 TRP A 75 -3.833 10.932 -5.272 1.00 0.00 C ATOM 1200 CE3 TRP A 75 -3.608 8.647 -4.505 1.00 0.00 C ATOM 1201 CZ2 TRP A 75 -5.016 11.078 -4.549 1.00 0.00 C ATOM 1202 CZ3 TRP A 75 -4.799 8.792 -3.777 1.00 0.00 C ATOM 1203 CH2 TRP A 75 -5.501 10.003 -3.799 1.00 0.00 C ATOM 0 H TRP A 75 0.723 7.195 -5.887 1.00 0.00 H new ATOM 0 HA TRP A 75 0.978 10.095 -6.345 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -0.727 8.822 -7.512 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -1.142 7.905 -6.078 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -1.248 11.593 -7.247 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -3.365 12.731 -6.305 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -3.075 7.708 -4.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -5.554 12.015 -4.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -5.177 7.964 -3.196 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -6.417 10.107 -3.237 1.00 0.00 H new ATOM 1214 N ASP A 76 0.915 10.940 -4.036 1.00 0.00 N ATOM 1215 CA ASP A 76 0.730 11.538 -2.681 1.00 0.00 C ATOM 1216 C ASP A 76 0.062 12.912 -2.797 1.00 0.00 C ATOM 1217 O ASP A 76 0.557 13.798 -3.466 1.00 0.00 O ATOM 1218 CB ASP A 76 2.143 11.679 -2.109 1.00 0.00 C ATOM 1219 CG ASP A 76 2.940 10.403 -2.389 1.00 0.00 C ATOM 1220 OD1 ASP A 76 2.602 9.380 -1.817 1.00 0.00 O ATOM 1221 OD2 ASP A 76 3.875 10.472 -3.170 1.00 0.00 O ATOM 0 H ASP A 76 1.585 11.421 -4.636 1.00 0.00 H new ATOM 0 HA ASP A 76 0.093 10.924 -2.045 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.643 12.538 -2.556 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.095 11.862 -1.035 1.00 0.00 H new ATOM 1226 N ARG A 77 -1.058 13.096 -2.150 1.00 0.00 N ATOM 1227 CA ARG A 77 -1.753 14.416 -2.225 1.00 0.00 C ATOM 1228 C ARG A 77 -1.227 15.355 -1.135 1.00 0.00 C ATOM 1229 O ARG A 77 -1.360 16.558 -1.225 1.00 0.00 O ATOM 1230 CB ARG A 77 -3.233 14.100 -2.003 1.00 0.00 C ATOM 1231 CG ARG A 77 -3.415 13.403 -0.653 1.00 0.00 C ATOM 1232 CD ARG A 77 -4.269 14.283 0.263 1.00 0.00 C ATOM 1233 NE ARG A 77 -3.514 14.352 1.546 1.00 0.00 N ATOM 1234 CZ ARG A 77 -4.017 13.824 2.628 1.00 0.00 C ATOM 1235 NH1 ARG A 77 -4.349 12.562 2.649 1.00 0.00 N ATOM 1236 NH2 ARG A 77 -4.185 14.559 3.694 1.00 0.00 N ATOM 0 H ARG A 77 -1.521 12.393 -1.574 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.586 14.918 -3.178 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.819 15.019 -2.031 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.603 13.462 -2.805 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.893 12.434 -0.793 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.444 13.216 -0.194 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.412 15.275 -0.164 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.260 13.854 0.411 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.604 14.812 1.578 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.215 11.986 1.818 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.742 12.152 3.496 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.923 15.545 3.680 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.578 14.147 4.540 1.00 0.00 H new ATOM 1250 N ASP A 78 -0.627 14.815 -0.107 1.00 0.00 N ATOM 1251 CA ASP A 78 -0.090 15.683 0.981 1.00 0.00 C ATOM 1252 C ASP A 78 1.400 15.948 0.753 1.00 0.00 C ATOM 1253 O ASP A 78 2.072 16.531 1.581 1.00 0.00 O ATOM 1254 CB ASP A 78 -0.302 14.885 2.269 1.00 0.00 C ATOM 1255 CG ASP A 78 -0.859 15.808 3.354 1.00 0.00 C ATOM 1256 OD1 ASP A 78 -0.078 16.541 3.939 1.00 0.00 O ATOM 1257 OD2 ASP A 78 -2.057 15.766 3.581 1.00 0.00 O ATOM 0 H ASP A 78 -0.486 13.814 0.026 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.585 16.653 1.019 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.991 14.060 2.089 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.641 14.447 2.598 1.00 0.00 H new ATOM 1262 N GLY A 79 1.919 15.526 -0.368 1.00 0.00 N ATOM 1263 CA GLY A 79 3.365 15.753 -0.655 1.00 0.00 C ATOM 1264 C GLY A 79 4.211 14.754 0.136 1.00 0.00 C ATOM 1265 O GLY A 79 5.419 14.858 0.190 1.00 0.00 O ATOM 0 H GLY A 79 1.404 15.034 -1.098 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.556 15.641 -1.722 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.643 16.772 -0.387 1.00 0.00 H new ATOM 1269 N LYS A 80 3.588 13.786 0.751 1.00 0.00 N ATOM 1270 CA LYS A 80 4.362 12.785 1.540 1.00 0.00 C ATOM 1271 C LYS A 80 4.180 11.384 0.950 1.00 0.00 C ATOM 1272 O LYS A 80 3.086 10.978 0.614 1.00 0.00 O ATOM 1273 CB LYS A 80 3.776 12.854 2.952 1.00 0.00 C ATOM 1274 CG LYS A 80 3.922 14.278 3.496 1.00 0.00 C ATOM 1275 CD LYS A 80 5.345 14.481 4.018 1.00 0.00 C ATOM 1276 CE LYS A 80 5.573 13.593 5.243 1.00 0.00 C ATOM 1277 NZ LYS A 80 6.729 12.727 4.876 1.00 0.00 N ATOM 0 H LYS A 80 2.578 13.645 0.742 1.00 0.00 H new ATOM 0 HA LYS A 80 5.432 12.993 1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.725 12.565 2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.290 12.149 3.605 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.704 15.003 2.711 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.202 14.449 4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.067 14.236 3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.501 15.527 4.280 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.791 14.190 6.129 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.689 12.997 5.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.948 12.087 5.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.489 12.167 4.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.557 13.322 4.672 1.00 0.00 H new ATOM 1291 N GLU A 81 5.247 10.642 0.825 1.00 0.00 N ATOM 1292 CA GLU A 81 5.138 9.267 0.259 1.00 0.00 C ATOM 1293 C GLU A 81 3.974 8.518 0.913 1.00 0.00 C ATOM 1294 O GLU A 81 3.892 8.411 2.122 1.00 0.00 O ATOM 1295 CB GLU A 81 6.471 8.594 0.593 1.00 0.00 C ATOM 1296 CG GLU A 81 6.339 7.077 0.429 1.00 0.00 C ATOM 1297 CD GLU A 81 5.758 6.475 1.708 1.00 0.00 C ATOM 1298 OE1 GLU A 81 6.471 6.432 2.697 1.00 0.00 O ATOM 1299 OE2 GLU A 81 4.609 6.066 1.678 1.00 0.00 O ATOM 0 H GLU A 81 6.189 10.929 1.090 1.00 0.00 H new ATOM 0 HA GLU A 81 4.946 9.274 -0.814 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.255 8.973 -0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.765 8.835 1.615 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.694 6.847 -0.419 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.314 6.637 0.217 1.00 0.00 H new ATOM 1306 N ARG A 82 3.072 8.000 0.124 1.00 0.00 N ATOM 1307 CA ARG A 82 1.913 7.259 0.698 1.00 0.00 C ATOM 1308 C ARG A 82 1.646 5.988 -0.114 1.00 0.00 C ATOM 1309 O ARG A 82 1.781 5.971 -1.322 1.00 0.00 O ATOM 1310 CB ARG A 82 0.730 8.220 0.582 1.00 0.00 C ATOM 1311 CG ARG A 82 0.955 9.425 1.497 1.00 0.00 C ATOM 1312 CD ARG A 82 -0.258 9.599 2.413 1.00 0.00 C ATOM 1313 NE ARG A 82 0.315 9.878 3.757 1.00 0.00 N ATOM 1314 CZ ARG A 82 0.110 9.044 4.741 1.00 0.00 C ATOM 1315 NH1 ARG A 82 -1.055 8.471 4.879 1.00 0.00 N ATOM 1316 NH2 ARG A 82 1.071 8.780 5.583 1.00 0.00 N ATOM 0 H ARG A 82 3.088 8.058 -0.894 1.00 0.00 H new ATOM 0 HA ARG A 82 2.090 6.951 1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 82 0.617 8.551 -0.450 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.194 7.710 0.856 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.857 9.281 2.092 1.00 0.00 H new ATOM 0 HG3 ARG A 82 1.107 10.325 0.901 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -0.893 10.418 2.076 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -0.876 8.701 2.425 1.00 0.00 H new ATOM 0 HE ARG A 82 0.868 10.721 3.910 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -1.805 8.675 4.218 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -1.215 7.820 5.647 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.982 9.225 5.473 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.911 8.129 6.352 1.00 0.00 H new ATOM 1330 N VAL A 83 1.270 4.925 0.539 1.00 0.00 N ATOM 1331 CA VAL A 83 0.995 3.658 -0.196 1.00 0.00 C ATOM 1332 C VAL A 83 -0.386 3.718 -0.856 1.00 0.00 C ATOM 1333 O VAL A 83 -1.162 4.620 -0.615 1.00 0.00 O ATOM 1334 CB VAL A 83 1.033 2.568 0.873 1.00 0.00 C ATOM 1335 CG1 VAL A 83 -0.063 2.830 1.909 1.00 0.00 C ATOM 1336 CG2 VAL A 83 0.800 1.205 0.219 1.00 0.00 C ATOM 0 H VAL A 83 1.141 4.878 1.550 1.00 0.00 H new ATOM 0 HA VAL A 83 1.717 3.475 -0.991 1.00 0.00 H new ATOM 0 HB VAL A 83 2.006 2.575 1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.036 2.052 2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.102 3.801 2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.036 2.823 1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.827 0.426 0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.173 1.199 -0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.580 1.017 -0.519 1.00 0.00 H new ATOM 1346 N THR A 84 -0.691 2.760 -1.687 1.00 0.00 N ATOM 1347 CA THR A 84 -2.018 2.753 -2.370 1.00 0.00 C ATOM 1348 C THR A 84 -3.150 2.812 -1.338 1.00 0.00 C ATOM 1349 O THR A 84 -4.282 3.117 -1.657 1.00 0.00 O ATOM 1350 CB THR A 84 -2.067 1.424 -3.126 1.00 0.00 C ATOM 1351 OG1 THR A 84 -0.779 0.821 -3.119 1.00 0.00 O ATOM 1352 CG2 THR A 84 -2.506 1.675 -4.565 1.00 0.00 C ATOM 0 H THR A 84 -0.078 1.980 -1.924 1.00 0.00 H new ATOM 0 HA THR A 84 -2.141 3.611 -3.031 1.00 0.00 H new ATOM 0 HB THR A 84 -2.779 0.757 -2.639 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.814 -0.031 -3.602 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.541 0.729 -5.105 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.495 2.132 -4.569 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.795 2.344 -5.051 1.00 0.00 H new ATOM 1360 N GLY A 85 -2.849 2.508 -0.109 1.00 0.00 N ATOM 1361 CA GLY A 85 -3.900 2.528 0.952 1.00 0.00 C ATOM 1362 C GLY A 85 -4.280 3.969 1.297 1.00 0.00 C ATOM 1363 O GLY A 85 -5.261 4.212 1.972 1.00 0.00 O ATOM 0 H GLY A 85 -1.917 2.245 0.211 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.781 1.984 0.611 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.536 2.017 1.844 1.00 0.00 H new ATOM 1367 N GLU A 86 -3.520 4.928 0.849 1.00 0.00 N ATOM 1368 CA GLU A 86 -3.858 6.345 1.168 1.00 0.00 C ATOM 1369 C GLU A 86 -5.163 6.741 0.463 1.00 0.00 C ATOM 1370 O GLU A 86 -5.676 6.012 -0.361 1.00 0.00 O ATOM 1371 CB GLU A 86 -2.655 7.168 0.666 1.00 0.00 C ATOM 1372 CG GLU A 86 -2.970 7.847 -0.675 1.00 0.00 C ATOM 1373 CD GLU A 86 -3.626 9.206 -0.418 1.00 0.00 C ATOM 1374 OE1 GLU A 86 -3.513 9.696 0.693 1.00 0.00 O ATOM 1375 OE2 GLU A 86 -4.232 9.734 -1.337 1.00 0.00 O ATOM 0 H GLU A 86 -2.684 4.795 0.279 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.025 6.514 2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.393 7.923 1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.787 6.518 0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.055 7.977 -1.253 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.634 7.217 -1.267 1.00 0.00 H new ATOM 1382 N GLU A 87 -5.699 7.887 0.776 1.00 0.00 N ATOM 1383 CA GLU A 87 -6.963 8.317 0.111 1.00 0.00 C ATOM 1384 C GLU A 87 -7.134 9.833 0.227 1.00 0.00 C ATOM 1385 O GLU A 87 -6.755 10.436 1.211 1.00 0.00 O ATOM 1386 CB GLU A 87 -8.077 7.592 0.865 1.00 0.00 C ATOM 1387 CG GLU A 87 -9.433 8.155 0.434 1.00 0.00 C ATOM 1388 CD GLU A 87 -9.930 9.150 1.485 1.00 0.00 C ATOM 1389 OE1 GLU A 87 -9.499 10.291 1.441 1.00 0.00 O ATOM 1390 OE2 GLU A 87 -10.730 8.755 2.314 1.00 0.00 O ATOM 0 H GLU A 87 -5.320 8.542 1.460 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.970 8.078 -0.952 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.033 6.522 0.660 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.944 7.716 1.940 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.343 8.647 -0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.153 7.346 0.315 1.00 0.00 H new ATOM 1397 N TRP A 88 -7.702 10.455 -0.771 1.00 0.00 N ATOM 1398 CA TRP A 88 -7.894 11.933 -0.711 1.00 0.00 C ATOM 1399 C TRP A 88 -9.335 12.293 -1.108 1.00 0.00 C ATOM 1400 O TRP A 88 -9.862 11.806 -2.089 1.00 0.00 O ATOM 1401 CB TRP A 88 -6.853 12.501 -1.699 1.00 0.00 C ATOM 1402 CG TRP A 88 -7.486 13.445 -2.678 1.00 0.00 C ATOM 1403 CD1 TRP A 88 -8.273 13.071 -3.713 1.00 0.00 C ATOM 1404 CD2 TRP A 88 -7.400 14.899 -2.732 1.00 0.00 C ATOM 1405 NE1 TRP A 88 -8.676 14.202 -4.399 1.00 0.00 N ATOM 1406 CE2 TRP A 88 -8.163 15.354 -3.833 1.00 0.00 C ATOM 1407 CE3 TRP A 88 -6.742 15.858 -1.940 1.00 0.00 C ATOM 1408 CZ2 TRP A 88 -8.266 16.711 -4.139 1.00 0.00 C ATOM 1409 CZ3 TRP A 88 -6.844 17.225 -2.246 1.00 0.00 C ATOM 1410 CH2 TRP A 88 -7.606 17.651 -3.343 1.00 0.00 C ATOM 0 H TRP A 88 -8.040 10.006 -1.622 1.00 0.00 H new ATOM 0 HA TRP A 88 -7.751 12.346 0.287 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -6.069 13.019 -1.146 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.375 11.682 -2.237 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -8.542 12.055 -3.963 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -9.278 14.188 -5.222 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -6.155 15.541 -1.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.853 17.033 -4.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -6.333 17.952 -1.633 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -7.683 18.704 -3.572 1.00 0.00 H new ATOM 1421 N LEU A 89 -9.969 13.147 -0.350 1.00 0.00 N ATOM 1422 CA LEU A 89 -11.367 13.546 -0.679 1.00 0.00 C ATOM 1423 C LEU A 89 -11.389 14.976 -1.226 1.00 0.00 C ATOM 1424 O LEU A 89 -10.704 15.851 -0.734 1.00 0.00 O ATOM 1425 CB LEU A 89 -12.130 13.450 0.649 1.00 0.00 C ATOM 1426 CG LEU A 89 -13.429 14.267 0.591 1.00 0.00 C ATOM 1427 CD1 LEU A 89 -13.117 15.747 0.820 1.00 0.00 C ATOM 1428 CD2 LEU A 89 -14.112 14.090 -0.770 1.00 0.00 C ATOM 0 H LEU A 89 -9.578 13.586 0.484 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.815 12.912 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.360 12.407 0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.502 13.814 1.462 1.00 0.00 H new ATOM 0 HG LEU A 89 -14.102 13.911 1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.041 16.324 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.654 15.874 1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.434 16.099 0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.031 14.675 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.443 14.431 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.348 13.037 -0.924 1.00 0.00 H new ATOM 1440 N VAL A 90 -12.171 15.217 -2.239 1.00 0.00 N ATOM 1441 CA VAL A 90 -12.244 16.585 -2.825 1.00 0.00 C ATOM 1442 C VAL A 90 -13.399 17.365 -2.198 1.00 0.00 C ATOM 1443 O VAL A 90 -14.549 17.183 -2.550 1.00 0.00 O ATOM 1444 CB VAL A 90 -12.497 16.374 -4.316 1.00 0.00 C ATOM 1445 CG1 VAL A 90 -12.591 17.733 -5.014 1.00 0.00 C ATOM 1446 CG2 VAL A 90 -11.345 15.572 -4.924 1.00 0.00 C ATOM 0 H VAL A 90 -12.766 14.522 -2.690 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.333 17.155 -2.644 1.00 0.00 H new ATOM 0 HB VAL A 90 -13.431 15.828 -4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.772 17.584 -6.079 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.412 18.307 -4.584 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -11.657 18.278 -4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.528 15.423 -5.988 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.411 16.117 -4.789 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.274 14.604 -4.428 1.00 0.00 H new ATOM 1456 N THR A 91 -13.097 18.233 -1.274 1.00 0.00 N ATOM 1457 CA THR A 91 -14.164 19.041 -0.617 1.00 0.00 C ATOM 1458 C THR A 91 -13.910 20.528 -0.863 1.00 0.00 C ATOM 1459 O THR A 91 -14.649 21.379 -0.410 1.00 0.00 O ATOM 1460 CB THR A 91 -14.032 18.722 0.871 1.00 0.00 C ATOM 1461 OG1 THR A 91 -14.808 19.646 1.624 1.00 0.00 O ATOM 1462 CG2 THR A 91 -12.563 18.832 1.281 1.00 0.00 C ATOM 0 H THR A 91 -12.150 18.419 -0.943 1.00 0.00 H new ATOM 0 HA THR A 91 -15.159 18.813 -1.000 1.00 0.00 H new ATOM 0 HB THR A 91 -14.389 17.710 1.063 1.00 0.00 H new ATOM 0 HG1 THR A 91 -15.073 20.395 1.050 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.464 18.605 2.342 1.00 0.00 H new ATOM 0 HG22 THR A 91 -11.970 18.125 0.702 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.207 19.845 1.092 1.00 0.00 H new ATOM 1470 N THR A 92 -12.861 20.845 -1.573 1.00 0.00 N ATOM 1471 CA THR A 92 -12.549 22.274 -1.845 1.00 0.00 C ATOM 1472 C THR A 92 -13.268 22.741 -3.109 1.00 0.00 C ATOM 1473 O THR A 92 -12.985 22.283 -4.198 1.00 0.00 O ATOM 1474 CB THR A 92 -11.033 22.317 -2.049 1.00 0.00 C ATOM 1475 OG1 THR A 92 -10.386 21.888 -0.861 1.00 0.00 O ATOM 1476 CG2 THR A 92 -10.603 23.746 -2.379 1.00 0.00 C ATOM 0 H THR A 92 -12.207 20.174 -1.976 1.00 0.00 H new ATOM 0 HA THR A 92 -12.872 22.927 -1.034 1.00 0.00 H new ATOM 0 HB THR A 92 -10.757 21.658 -2.872 1.00 0.00 H new ATOM 0 HG1 THR A 92 -9.415 21.913 -0.990 1.00 0.00 H new ATOM 0 HG21 THR A 92 -9.523 23.777 -2.524 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.101 24.074 -3.291 1.00 0.00 H new ATOM 0 HG23 THR A 92 -10.877 24.407 -1.557 1.00 0.00 H new ATOM 1484 N VAL A 93 -14.191 23.653 -2.973 1.00 0.00 N ATOM 1485 CA VAL A 93 -14.924 24.159 -4.166 1.00 0.00 C ATOM 1486 C VAL A 93 -13.946 24.354 -5.331 1.00 0.00 C ATOM 1487 O VAL A 93 -12.952 25.041 -5.210 1.00 0.00 O ATOM 1488 CB VAL A 93 -15.516 25.498 -3.719 1.00 0.00 C ATOM 1489 CG1 VAL A 93 -16.618 25.248 -2.689 1.00 0.00 C ATOM 1490 CG2 VAL A 93 -14.423 26.357 -3.080 1.00 0.00 C ATOM 0 H VAL A 93 -14.469 24.070 -2.085 1.00 0.00 H new ATOM 0 HA VAL A 93 -15.696 23.472 -4.512 1.00 0.00 H new ATOM 0 HB VAL A 93 -15.928 26.015 -4.586 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -17.041 26.201 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -17.401 24.635 -3.135 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -16.199 24.730 -1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -14.848 27.309 -2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -14.011 25.837 -2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -13.630 26.537 -3.806 1.00 0.00 H new ATOM 1500 N GLY A 94 -14.208 23.747 -6.456 1.00 0.00 N ATOM 1501 CA GLY A 94 -13.277 23.901 -7.610 1.00 0.00 C ATOM 1502 C GLY A 94 -13.859 23.205 -8.841 1.00 0.00 C ATOM 1503 O GLY A 94 -13.139 22.660 -9.647 1.00 0.00 O ATOM 0 H GLY A 94 -15.021 23.155 -6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.116 24.958 -7.821 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.305 23.473 -7.365 1.00 0.00 H new ATOM 1507 N ALA A 95 -15.159 23.233 -8.987 1.00 0.00 N ATOM 1508 CA ALA A 95 -15.818 22.588 -10.165 1.00 0.00 C ATOM 1509 C ALA A 95 -15.250 21.184 -10.434 1.00 0.00 C ATOM 1510 O ALA A 95 -15.836 20.192 -10.056 1.00 0.00 O ATOM 1511 CB ALA A 95 -15.536 23.528 -11.338 1.00 0.00 C ATOM 0 H ALA A 95 -15.800 23.681 -8.332 1.00 0.00 H new ATOM 0 HA ALA A 95 -16.886 22.445 -9.999 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -15.988 23.125 -12.244 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -15.960 24.510 -11.127 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.459 23.620 -11.480 1.00 0.00 H new ATOM 1517 N TYR A 96 -14.122 21.083 -11.085 1.00 0.00 N ATOM 1518 CA TYR A 96 -13.547 19.736 -11.365 1.00 0.00 C ATOM 1519 C TYR A 96 -12.113 19.656 -10.833 1.00 0.00 C ATOM 1520 O TYR A 96 -11.471 20.661 -10.603 1.00 0.00 O ATOM 1521 CB TYR A 96 -13.578 19.613 -12.891 1.00 0.00 C ATOM 1522 CG TYR A 96 -13.312 18.184 -13.315 1.00 0.00 C ATOM 1523 CD1 TYR A 96 -13.704 17.113 -12.500 1.00 0.00 C ATOM 1524 CD2 TYR A 96 -12.675 17.933 -14.537 1.00 0.00 C ATOM 1525 CE1 TYR A 96 -13.459 15.796 -12.908 1.00 0.00 C ATOM 1526 CE2 TYR A 96 -12.430 16.616 -14.943 1.00 0.00 C ATOM 1527 CZ TYR A 96 -12.822 15.548 -14.129 1.00 0.00 C ATOM 1528 OH TYR A 96 -12.582 14.250 -14.530 1.00 0.00 O ATOM 0 H TYR A 96 -13.576 21.871 -11.433 1.00 0.00 H new ATOM 0 HA TYR A 96 -14.101 18.931 -10.883 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -14.549 19.935 -13.268 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -12.830 20.274 -13.330 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -14.195 17.304 -11.557 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.373 18.757 -15.167 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.762 14.971 -12.280 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -11.938 16.424 -15.885 1.00 0.00 H new ATOM 0 HH TYR A 96 -12.133 14.254 -15.401 1.00 0.00 H new ATOM 1538 N LEU A 97 -11.608 18.470 -10.625 1.00 0.00 N ATOM 1539 CA LEU A 97 -10.221 18.338 -10.096 1.00 0.00 C ATOM 1540 C LEU A 97 -9.785 16.869 -10.090 1.00 0.00 C ATOM 1541 O LEU A 97 -9.624 16.274 -9.042 1.00 0.00 O ATOM 1542 CB LEU A 97 -10.297 18.876 -8.667 1.00 0.00 C ATOM 1543 CG LEU A 97 -9.152 19.860 -8.421 1.00 0.00 C ATOM 1544 CD1 LEU A 97 -9.669 21.292 -8.570 1.00 0.00 C ATOM 1545 CD2 LEU A 97 -8.610 19.660 -7.003 1.00 0.00 C ATOM 0 H LEU A 97 -12.094 17.590 -10.798 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.496 18.878 -10.704 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -11.255 19.371 -8.506 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.240 18.052 -7.955 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.357 19.684 -9.146 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.853 21.993 -8.395 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -10.060 21.435 -9.577 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -10.463 21.470 -7.844 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.794 20.360 -6.824 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.406 19.839 -6.281 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.244 18.639 -6.894 1.00 0.00 H new ATOM 1557 N PRO A 98 -9.599 16.333 -11.267 1.00 0.00 N ATOM 1558 CA PRO A 98 -9.168 14.922 -11.399 1.00 0.00 C ATOM 1559 C PRO A 98 -7.681 14.794 -11.045 1.00 0.00 C ATOM 1560 O PRO A 98 -6.898 15.685 -11.303 1.00 0.00 O ATOM 1561 CB PRO A 98 -9.417 14.608 -12.870 1.00 0.00 C ATOM 1562 CG PRO A 98 -9.370 15.931 -13.569 1.00 0.00 C ATOM 1563 CD PRO A 98 -9.772 16.986 -12.568 1.00 0.00 C ATOM 0 HA PRO A 98 -9.698 14.239 -10.735 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -8.659 13.929 -13.261 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -10.383 14.123 -13.011 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -8.368 16.127 -13.952 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -10.045 15.937 -14.425 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -9.147 17.875 -12.654 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -10.803 17.306 -12.719 1.00 0.00 H new ATOM 1571 N ALA A 99 -7.286 13.703 -10.444 1.00 0.00 N ATOM 1572 CA ALA A 99 -5.850 13.548 -10.065 1.00 0.00 C ATOM 1573 C ALA A 99 -5.131 12.578 -11.008 1.00 0.00 C ATOM 1574 O ALA A 99 -5.358 12.578 -12.201 1.00 0.00 O ATOM 1575 CB ALA A 99 -5.873 12.998 -8.641 1.00 0.00 C ATOM 0 H ALA A 99 -7.890 12.918 -10.200 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.311 14.493 -10.132 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.851 12.856 -8.289 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.387 13.702 -7.987 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -6.397 12.042 -8.628 1.00 0.00 H new ATOM 1581 N VAL A 100 -4.247 11.767 -10.488 1.00 0.00 N ATOM 1582 CA VAL A 100 -3.504 10.824 -11.373 1.00 0.00 C ATOM 1583 C VAL A 100 -3.722 9.353 -10.956 1.00 0.00 C ATOM 1584 O VAL A 100 -4.185 8.556 -11.745 1.00 0.00 O ATOM 1585 CB VAL A 100 -2.026 11.237 -11.268 1.00 0.00 C ATOM 1586 CG1 VAL A 100 -1.754 12.391 -12.240 1.00 0.00 C ATOM 1587 CG2 VAL A 100 -1.691 11.710 -9.848 1.00 0.00 C ATOM 0 H VAL A 100 -4.009 11.717 -9.497 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.859 10.881 -12.402 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.409 10.372 -11.512 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.707 12.687 -12.169 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.972 12.068 -13.258 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.389 13.239 -11.985 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.641 11.997 -9.798 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.314 12.568 -9.594 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.880 10.902 -9.141 1.00 0.00 H new ATOM 1597 N PHE A 101 -3.397 8.968 -9.743 1.00 0.00 N ATOM 1598 CA PHE A 101 -3.608 7.538 -9.353 1.00 0.00 C ATOM 1599 C PHE A 101 -4.722 7.399 -8.313 1.00 0.00 C ATOM 1600 O PHE A 101 -4.517 6.833 -7.258 1.00 0.00 O ATOM 1601 CB PHE A 101 -2.298 7.072 -8.723 1.00 0.00 C ATOM 1602 CG PHE A 101 -1.135 7.345 -9.642 1.00 0.00 C ATOM 1603 CD1 PHE A 101 -1.342 7.512 -11.014 1.00 0.00 C ATOM 1604 CD2 PHE A 101 0.160 7.415 -9.113 1.00 0.00 C ATOM 1605 CE1 PHE A 101 -0.253 7.754 -11.858 1.00 0.00 C ATOM 1606 CE2 PHE A 101 1.247 7.655 -9.955 1.00 0.00 C ATOM 1607 CZ PHE A 101 1.042 7.825 -11.330 1.00 0.00 C ATOM 0 H PHE A 101 -3.003 9.569 -9.020 1.00 0.00 H new ATOM 0 HA PHE A 101 -3.893 6.951 -10.226 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -2.144 7.583 -7.773 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.353 6.005 -8.506 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.340 7.454 -11.422 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.318 7.283 -8.053 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.411 7.886 -12.918 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.245 7.710 -9.547 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.882 8.011 -11.983 1.00 0.00 H new ATOM 1617 N GLU A 102 -5.898 7.886 -8.586 1.00 0.00 N ATOM 1618 CA GLU A 102 -6.990 7.737 -7.583 1.00 0.00 C ATOM 1619 C GLU A 102 -8.323 7.441 -8.271 1.00 0.00 C ATOM 1620 O GLU A 102 -8.610 7.945 -9.338 1.00 0.00 O ATOM 1621 CB GLU A 102 -7.052 9.062 -6.818 1.00 0.00 C ATOM 1622 CG GLU A 102 -7.036 10.244 -7.790 1.00 0.00 C ATOM 1623 CD GLU A 102 -8.470 10.635 -8.159 1.00 0.00 C ATOM 1624 OE1 GLU A 102 -9.338 9.784 -8.079 1.00 0.00 O ATOM 1625 OE2 GLU A 102 -8.674 11.783 -8.517 1.00 0.00 O ATOM 0 H GLU A 102 -6.150 8.374 -9.446 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.796 6.903 -6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -7.956 9.096 -6.210 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.206 9.134 -6.135 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -6.524 11.092 -7.336 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -6.479 9.979 -8.689 1.00 0.00 H new ATOM 1632 N GLU A 103 -9.136 6.622 -7.661 1.00 0.00 N ATOM 1633 CA GLU A 103 -10.455 6.281 -8.268 1.00 0.00 C ATOM 1634 C GLU A 103 -11.591 6.727 -7.346 1.00 0.00 C ATOM 1635 O GLU A 103 -11.608 6.414 -6.170 1.00 0.00 O ATOM 1636 CB GLU A 103 -10.442 4.758 -8.403 1.00 0.00 C ATOM 1637 CG GLU A 103 -11.768 4.284 -9.002 1.00 0.00 C ATOM 1638 CD GLU A 103 -11.638 4.188 -10.522 1.00 0.00 C ATOM 1639 OE1 GLU A 103 -10.526 4.298 -11.011 1.00 0.00 O ATOM 1640 OE2 GLU A 103 -12.654 4.003 -11.172 1.00 0.00 O ATOM 0 H GLU A 103 -8.943 6.173 -6.766 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.611 6.776 -9.227 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -9.613 4.446 -9.038 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.287 4.298 -7.427 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.039 3.313 -8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.567 4.977 -8.738 1.00 0.00 H new ATOM 1647 N VAL A 104 -12.537 7.459 -7.866 1.00 0.00 N ATOM 1648 CA VAL A 104 -13.669 7.925 -7.016 1.00 0.00 C ATOM 1649 C VAL A 104 -14.503 6.734 -6.539 1.00 0.00 C ATOM 1650 O VAL A 104 -14.620 5.732 -7.216 1.00 0.00 O ATOM 1651 CB VAL A 104 -14.493 8.844 -7.921 1.00 0.00 C ATOM 1652 CG1 VAL A 104 -15.320 8.002 -8.895 1.00 0.00 C ATOM 1653 CG2 VAL A 104 -15.430 9.693 -7.059 1.00 0.00 C ATOM 0 H VAL A 104 -12.575 7.754 -8.842 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.327 8.442 -6.120 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.824 9.493 -8.485 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -15.905 8.659 -9.538 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.654 7.395 -9.508 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -15.991 7.351 -8.334 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -16.019 10.349 -7.700 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -16.098 9.041 -6.496 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -14.842 10.295 -6.366 1.00 0.00 H new ATOM 1663 N LEU A 105 -15.080 6.837 -5.374 1.00 0.00 N ATOM 1664 CA LEU A 105 -15.907 5.716 -4.844 1.00 0.00 C ATOM 1665 C LEU A 105 -17.393 6.067 -4.952 1.00 0.00 C ATOM 1666 O LEU A 105 -18.201 5.271 -5.385 1.00 0.00 O ATOM 1667 CB LEU A 105 -15.488 5.585 -3.375 1.00 0.00 C ATOM 1668 CG LEU A 105 -14.157 4.825 -3.258 1.00 0.00 C ATOM 1669 CD1 LEU A 105 -13.230 5.174 -4.429 1.00 0.00 C ATOM 1670 CD2 LEU A 105 -13.469 5.216 -1.947 1.00 0.00 C ATOM 0 H LEU A 105 -15.014 7.652 -4.764 1.00 0.00 H new ATOM 0 HA LEU A 105 -15.759 4.787 -5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -15.388 6.575 -2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -16.263 5.061 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 105 -14.363 3.755 -3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -12.293 4.626 -4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -13.711 4.900 -5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -13.026 6.245 -4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -12.524 4.680 -1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -13.279 6.289 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -14.113 4.957 -1.107 1.00 0.00 H new ATOM 1682 N ASP A 106 -17.756 7.260 -4.567 1.00 0.00 N ATOM 1683 CA ASP A 106 -19.186 7.671 -4.651 1.00 0.00 C ATOM 1684 C ASP A 106 -19.305 9.187 -4.478 1.00 0.00 C ATOM 1685 O ASP A 106 -18.712 9.769 -3.590 1.00 0.00 O ATOM 1686 CB ASP A 106 -19.882 6.940 -3.501 1.00 0.00 C ATOM 1687 CG ASP A 106 -20.832 5.884 -4.068 1.00 0.00 C ATOM 1688 OD1 ASP A 106 -21.932 6.248 -4.450 1.00 0.00 O ATOM 1689 OD2 ASP A 106 -20.442 4.729 -4.114 1.00 0.00 O ATOM 0 H ASP A 106 -17.123 7.969 -4.197 1.00 0.00 H new ATOM 0 HA ASP A 106 -19.632 7.423 -5.614 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -19.142 6.469 -2.855 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -20.436 7.650 -2.887 1.00 0.00 H new ATOM 1694 N LEU A 107 -20.058 9.833 -5.323 1.00 0.00 N ATOM 1695 CA LEU A 107 -20.201 11.313 -5.208 1.00 0.00 C ATOM 1696 C LEU A 107 -21.135 11.690 -4.050 1.00 0.00 C ATOM 1697 O LEU A 107 -22.123 11.035 -3.782 1.00 0.00 O ATOM 1698 CB LEU A 107 -20.747 11.785 -6.573 1.00 0.00 C ATOM 1699 CG LEU A 107 -22.271 11.571 -6.714 1.00 0.00 C ATOM 1700 CD1 LEU A 107 -22.667 10.139 -6.340 1.00 0.00 C ATOM 1701 CD2 LEU A 107 -23.027 12.565 -5.827 1.00 0.00 C ATOM 0 H LEU A 107 -20.580 9.403 -6.087 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.251 11.797 -4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -20.519 12.843 -6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -20.234 11.247 -7.370 1.00 0.00 H new ATOM 0 HG LEU A 107 -22.538 11.739 -7.757 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -23.745 10.019 -6.449 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -22.155 9.436 -6.998 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -22.383 9.941 -5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -24.100 12.405 -5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -22.740 12.415 -4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -22.780 13.583 -6.129 1.00 0.00 H new ATOM 1713 N VAL A 108 -20.823 12.750 -3.356 1.00 0.00 N ATOM 1714 CA VAL A 108 -21.682 13.179 -2.216 1.00 0.00 C ATOM 1715 C VAL A 108 -22.051 14.655 -2.375 1.00 0.00 C ATOM 1716 O VAL A 108 -21.306 15.428 -2.938 1.00 0.00 O ATOM 1717 CB VAL A 108 -20.821 12.972 -0.971 1.00 0.00 C ATOM 1718 CG1 VAL A 108 -19.472 13.665 -1.165 1.00 0.00 C ATOM 1719 CG2 VAL A 108 -21.531 13.570 0.246 1.00 0.00 C ATOM 0 H VAL A 108 -20.008 13.339 -3.530 1.00 0.00 H new ATOM 0 HA VAL A 108 -22.614 12.617 -2.160 1.00 0.00 H new ATOM 0 HB VAL A 108 -20.663 11.905 -0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -18.857 13.518 -0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -18.966 13.240 -2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -19.630 14.732 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -20.917 13.422 1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -21.689 14.637 0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -22.493 13.077 0.384 1.00 0.00 H new ATOM 1729 N ASP A 109 -23.193 15.054 -1.891 1.00 0.00 N ATOM 1730 CA ASP A 109 -23.595 16.483 -2.028 1.00 0.00 C ATOM 1731 C ASP A 109 -23.592 17.176 -0.661 1.00 0.00 C ATOM 1732 O ASP A 109 -24.314 16.791 0.237 1.00 0.00 O ATOM 1733 CB ASP A 109 -25.011 16.439 -2.605 1.00 0.00 C ATOM 1734 CG ASP A 109 -25.679 17.803 -2.430 1.00 0.00 C ATOM 1735 OD1 ASP A 109 -26.066 18.111 -1.314 1.00 0.00 O ATOM 1736 OD2 ASP A 109 -25.790 18.518 -3.412 1.00 0.00 O ATOM 0 H ASP A 109 -23.864 14.456 -1.408 1.00 0.00 H new ATOM 0 HA ASP A 109 -22.910 17.044 -2.664 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -24.976 16.173 -3.661 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -25.596 15.669 -2.102 1.00 0.00 H new ATOM 1741 N ALA A 110 -22.794 18.198 -0.493 1.00 0.00 N ATOM 1742 CA ALA A 110 -22.772 18.905 0.823 1.00 0.00 C ATOM 1743 C ALA A 110 -23.935 19.900 0.899 1.00 0.00 C ATOM 1744 O ALA A 110 -24.780 19.948 0.028 1.00 0.00 O ATOM 1745 CB ALA A 110 -21.433 19.638 0.871 1.00 0.00 C ATOM 0 H ALA A 110 -22.162 18.571 -1.202 1.00 0.00 H new ATOM 0 HA ALA A 110 -22.880 18.217 1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -21.349 20.180 1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -20.620 18.916 0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -21.373 20.342 0.041 1.00 0.00 H new ATOM 1751 N VAL A 111 -23.986 20.695 1.936 1.00 0.00 N ATOM 1752 CA VAL A 111 -25.099 21.681 2.063 1.00 0.00 C ATOM 1753 C VAL A 111 -24.888 22.854 1.098 1.00 0.00 C ATOM 1754 O VAL A 111 -25.336 22.827 -0.032 1.00 0.00 O ATOM 1755 CB VAL A 111 -25.042 22.156 3.514 1.00 0.00 C ATOM 1756 CG1 VAL A 111 -26.107 23.230 3.743 1.00 0.00 C ATOM 1757 CG2 VAL A 111 -25.307 20.972 4.445 1.00 0.00 C ATOM 0 H VAL A 111 -23.308 20.704 2.698 1.00 0.00 H new ATOM 0 HA VAL A 111 -26.067 21.245 1.816 1.00 0.00 H new ATOM 0 HB VAL A 111 -24.056 22.572 3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -26.066 23.568 4.778 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -25.922 24.074 3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -27.093 22.814 3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -25.267 21.308 5.481 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -26.293 20.558 4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -24.550 20.205 4.283 1.00 0.00 H new ATOM 1767 N ILE A 112 -24.210 23.883 1.530 1.00 0.00 N ATOM 1768 CA ILE A 112 -23.976 25.051 0.633 1.00 0.00 C ATOM 1769 C ILE A 112 -22.475 25.265 0.432 1.00 0.00 C ATOM 1770 O ILE A 112 -22.044 25.830 -0.555 1.00 0.00 O ATOM 1771 CB ILE A 112 -24.596 26.242 1.364 1.00 0.00 C ATOM 1772 CG1 ILE A 112 -24.013 26.334 2.776 1.00 0.00 C ATOM 1773 CG2 ILE A 112 -26.110 26.056 1.451 1.00 0.00 C ATOM 1774 CD1 ILE A 112 -23.829 27.803 3.155 1.00 0.00 C ATOM 0 H ILE A 112 -23.809 23.965 2.464 1.00 0.00 H new ATOM 0 HA ILE A 112 -24.413 24.910 -0.356 1.00 0.00 H new ATOM 0 HB ILE A 112 -24.373 27.158 0.817 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -24.677 25.844 3.488 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -23.057 25.813 2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -26.552 26.905 1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -26.527 25.990 0.446 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -26.333 25.139 1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -23.414 27.870 4.161 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -23.148 28.278 2.449 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -24.794 28.310 3.126 1.00 0.00 H new ATOM 1786 N LEU A 113 -21.675 24.821 1.362 1.00 0.00 N ATOM 1787 CA LEU A 113 -20.201 25.000 1.227 1.00 0.00 C ATOM 1788 C LEU A 113 -19.507 23.636 1.172 1.00 0.00 C ATOM 1789 O LEU A 113 -20.161 22.648 1.463 1.00 0.00 O ATOM 1790 CB LEU A 113 -19.783 25.767 2.482 1.00 0.00 C ATOM 1791 CG LEU A 113 -18.742 26.824 2.110 1.00 0.00 C ATOM 1792 CD1 LEU A 113 -18.505 27.748 3.306 1.00 0.00 C ATOM 1793 CD2 LEU A 113 -17.429 26.136 1.731 1.00 0.00 C ATOM 1794 OXT LEU A 113 -18.334 23.604 0.841 1.00 0.00 O ATOM 0 H LEU A 113 -21.978 24.342 2.210 1.00 0.00 H new ATOM 0 HA LEU A 113 -19.928 25.531 0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -20.652 26.242 2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -19.371 25.080 3.221 1.00 0.00 H new ATOM 0 HG LEU A 113 -19.104 27.408 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -17.763 28.502 3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -19.440 28.238 3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -18.143 27.163 4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -16.687 26.889 1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -17.067 25.552 2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -17.596 25.476 0.880 1.00 0.00 H new TER 1806 LEU A 113