USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 817 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -59:sc= 0.303 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -12:sc= 0.0149 USER MOD Single : A 42 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.84) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 144:sc= 0.122 USER MOD Single : A 65 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.54) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.127) USER MOD Single : A 86 SER OG : rot 34:sc= 0.223 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 VAL N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 SER OG : rot -37:sc= 0.341 USER MOD Single : B 7 SER OG : rot 180:sc= 0 USER MOD Single : B 8 SER OG : rot 158:sc= 0.0366 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.814 -29.513 -6.703 1.00 0.00 N ATOM 2 CA GLY A 1 -9.752 -30.359 -6.077 1.00 0.00 C ATOM 3 C GLY A 1 -8.989 -29.632 -4.975 1.00 0.00 C ATOM 4 O GLY A 1 -9.432 -29.658 -3.796 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.300 -30.057 -7.444 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.502 -29.226 -5.978 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.380 -28.666 -7.123 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.208 -31.259 -5.664 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.050 -30.681 -6.846 1.00 0.00 H new ATOM 10 N ALA A 2 -7.797 -28.966 -5.392 1.00 0.00 N ATOM 11 CA ALA A 2 -6.847 -28.152 -4.499 1.00 0.00 C ATOM 12 C ALA A 2 -6.992 -26.588 -4.716 1.00 0.00 C ATOM 13 O ALA A 2 -6.969 -26.081 -5.899 1.00 0.00 O ATOM 14 CB ALA A 2 -5.360 -28.625 -4.677 1.00 0.00 C ATOM 0 H ALA A 2 -7.485 -28.991 -6.363 1.00 0.00 H new ATOM 0 HA ALA A 2 -7.142 -28.345 -3.467 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.710 -28.032 -4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.278 -29.677 -4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.059 -28.494 -5.716 1.00 0.00 H new ATOM 20 N MET A 3 -7.195 -25.839 -3.519 1.00 0.00 N ATOM 21 CA MET A 3 -7.361 -24.314 -3.428 1.00 0.00 C ATOM 22 C MET A 3 -6.230 -23.560 -2.634 1.00 0.00 C ATOM 23 O MET A 3 -5.729 -24.040 -1.570 1.00 0.00 O ATOM 24 CB MET A 3 -8.832 -23.845 -2.974 1.00 0.00 C ATOM 25 CG MET A 3 -9.919 -23.761 -4.081 1.00 0.00 C ATOM 26 SD MET A 3 -9.613 -22.501 -5.373 1.00 0.00 S ATOM 27 CE MET A 3 -11.063 -22.708 -6.401 1.00 0.00 C ATOM 0 H MET A 3 -7.245 -26.290 -2.606 1.00 0.00 H new ATOM 0 HA MET A 3 -7.236 -23.998 -4.464 1.00 0.00 H new ATOM 0 HB2 MET A 3 -9.184 -24.532 -2.205 1.00 0.00 H new ATOM 0 HB3 MET A 3 -8.746 -22.863 -2.509 1.00 0.00 H new ATOM 0 HG2 MET A 3 -10.005 -24.737 -4.559 1.00 0.00 H new ATOM 0 HG3 MET A 3 -10.880 -23.551 -3.611 1.00 0.00 H new ATOM 0 HE1 MET A 3 -11.021 -22.007 -7.234 1.00 0.00 H new ATOM 0 HE2 MET A 3 -11.094 -23.727 -6.786 1.00 0.00 H new ATOM 0 HE3 MET A 3 -11.958 -22.516 -5.810 1.00 0.00 H new ATOM 37 N GLU A 4 -5.853 -22.344 -3.240 1.00 0.00 N ATOM 38 CA GLU A 4 -4.779 -21.322 -2.773 1.00 0.00 C ATOM 39 C GLU A 4 -5.448 -19.868 -2.507 1.00 0.00 C ATOM 40 O GLU A 4 -6.665 -19.673 -2.810 1.00 0.00 O ATOM 41 CB GLU A 4 -3.538 -21.232 -3.825 1.00 0.00 C ATOM 42 CG GLU A 4 -2.583 -22.484 -3.913 1.00 0.00 C ATOM 43 CD GLU A 4 -1.422 -22.338 -4.926 1.00 0.00 C ATOM 44 OE1 GLU A 4 -0.326 -21.858 -4.526 1.00 0.00 O ATOM 45 OE2 GLU A 4 -1.599 -22.734 -6.111 1.00 0.00 O ATOM 0 H GLU A 4 -6.305 -22.035 -4.101 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.366 -21.677 -1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.948 -21.048 -4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.934 -20.363 -3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.164 -22.675 -2.925 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.175 -23.358 -4.183 1.00 0.00 H new ATOM 52 N MET A 5 -4.602 -18.830 -1.961 1.00 0.00 N ATOM 53 CA MET A 5 -5.016 -17.369 -1.609 1.00 0.00 C ATOM 54 C MET A 5 -5.309 -16.417 -2.908 1.00 0.00 C ATOM 55 O MET A 5 -4.801 -16.713 -4.034 1.00 0.00 O ATOM 56 CB MET A 5 -4.057 -16.709 -0.447 1.00 0.00 C ATOM 57 CG MET A 5 -2.526 -16.502 -0.727 1.00 0.00 C ATOM 58 SD MET A 5 -1.623 -15.922 0.725 1.00 0.00 S ATOM 59 CE MET A 5 0.039 -15.805 0.068 1.00 0.00 C ATOM 0 H MET A 5 -3.617 -19.004 -1.760 1.00 0.00 H new ATOM 0 HA MET A 5 -6.002 -17.436 -1.148 1.00 0.00 H new ATOM 0 HB2 MET A 5 -4.476 -15.735 -0.193 1.00 0.00 H new ATOM 0 HB3 MET A 5 -4.144 -17.335 0.441 1.00 0.00 H new ATOM 0 HG2 MET A 5 -2.093 -17.443 -1.067 1.00 0.00 H new ATOM 0 HG3 MET A 5 -2.403 -15.783 -1.537 1.00 0.00 H new ATOM 0 HE1 MET A 5 0.715 -15.458 0.849 1.00 0.00 H new ATOM 0 HE2 MET A 5 0.362 -16.785 -0.282 1.00 0.00 H new ATOM 0 HE3 MET A 5 0.053 -15.100 -0.763 1.00 0.00 H new ATOM 69 N GLU A 6 -6.098 -15.264 -2.664 1.00 0.00 N ATOM 70 CA GLU A 6 -6.731 -14.363 -3.744 1.00 0.00 C ATOM 71 C GLU A 6 -6.197 -12.900 -3.717 1.00 0.00 C ATOM 72 O GLU A 6 -6.259 -12.193 -2.667 1.00 0.00 O ATOM 73 CB GLU A 6 -8.369 -14.420 -3.762 1.00 0.00 C ATOM 74 CG GLU A 6 -9.086 -15.772 -4.235 1.00 0.00 C ATOM 75 CD GLU A 6 -9.050 -16.095 -5.770 1.00 0.00 C ATOM 76 OE1 GLU A 6 -8.092 -16.776 -6.217 1.00 0.00 O ATOM 77 OE2 GLU A 6 -9.989 -15.680 -6.494 1.00 0.00 O ATOM 0 H GLU A 6 -6.306 -14.944 -1.718 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.401 -14.792 -4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.719 -14.195 -2.754 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.721 -13.616 -4.408 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.626 -16.604 -3.702 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.129 -15.730 -3.921 1.00 0.00 H new ATOM 84 N TYR A 7 -5.645 -12.478 -4.937 1.00 0.00 N ATOM 85 CA TYR A 7 -4.987 -11.118 -5.231 1.00 0.00 C ATOM 86 C TYR A 7 -5.917 -10.166 -6.072 1.00 0.00 C ATOM 87 O TYR A 7 -6.660 -10.638 -7.009 1.00 0.00 O ATOM 88 CB TYR A 7 -3.562 -11.315 -5.966 1.00 0.00 C ATOM 89 CG TYR A 7 -2.413 -12.123 -5.229 1.00 0.00 C ATOM 90 CD1 TYR A 7 -2.360 -13.538 -5.239 1.00 0.00 C ATOM 91 CD2 TYR A 7 -1.399 -11.453 -4.570 1.00 0.00 C ATOM 92 CE1 TYR A 7 -1.343 -14.226 -4.620 1.00 0.00 C ATOM 93 CE2 TYR A 7 -0.358 -12.145 -3.941 1.00 0.00 C ATOM 94 CZ TYR A 7 -0.337 -13.528 -3.975 1.00 0.00 C ATOM 95 OH TYR A 7 0.684 -14.214 -3.355 1.00 0.00 O ATOM 0 H TYR A 7 -5.646 -13.085 -5.756 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.823 -10.634 -4.268 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.751 -11.809 -6.919 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.171 -10.323 -6.193 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.138 -14.091 -5.745 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.411 -10.373 -4.540 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.329 -15.306 -4.637 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.425 -11.602 -3.432 1.00 0.00 H new ATOM 0 HH TYR A 7 1.309 -13.576 -2.951 1.00 0.00 H new ATOM 105 N GLU A 8 -5.860 -8.790 -5.701 1.00 0.00 N ATOM 106 CA GLU A 8 -6.733 -7.674 -6.314 1.00 0.00 C ATOM 107 C GLU A 8 -5.829 -6.455 -6.837 1.00 0.00 C ATOM 108 O GLU A 8 -4.885 -5.994 -6.127 1.00 0.00 O ATOM 109 CB GLU A 8 -7.896 -7.217 -5.256 1.00 0.00 C ATOM 110 CG GLU A 8 -9.211 -6.546 -5.848 1.00 0.00 C ATOM 111 CD GLU A 8 -10.262 -6.147 -4.787 1.00 0.00 C ATOM 112 OE1 GLU A 8 -10.210 -4.989 -4.290 1.00 0.00 O ATOM 113 OE2 GLU A 8 -11.155 -6.981 -4.478 1.00 0.00 O ATOM 0 H GLU A 8 -5.220 -8.445 -4.986 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.246 -8.061 -7.194 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.196 -8.097 -4.686 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.451 -6.516 -4.550 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.928 -5.657 -6.412 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.671 -7.238 -6.554 1.00 0.00 H new ATOM 120 N GLU A 9 -6.165 -5.987 -8.136 1.00 0.00 N ATOM 121 CA GLU A 9 -5.545 -4.794 -8.860 1.00 0.00 C ATOM 122 C GLU A 9 -6.537 -3.537 -8.922 1.00 0.00 C ATOM 123 O GLU A 9 -7.630 -3.615 -9.588 1.00 0.00 O ATOM 124 CB GLU A 9 -4.837 -5.181 -10.292 1.00 0.00 C ATOM 125 CG GLU A 9 -5.692 -5.894 -11.456 1.00 0.00 C ATOM 126 CD GLU A 9 -4.893 -6.196 -12.742 1.00 0.00 C ATOM 127 OE1 GLU A 9 -4.310 -7.309 -12.844 1.00 0.00 O ATOM 128 OE2 GLU A 9 -4.876 -5.332 -13.659 1.00 0.00 O ATOM 0 H GLU A 9 -6.883 -6.446 -8.697 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.707 -4.466 -8.245 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.429 -4.260 -10.709 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.992 -5.832 -10.068 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.101 -6.828 -11.069 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.539 -5.256 -11.710 1.00 0.00 H new ATOM 135 N ILE A 10 -6.139 -2.407 -8.167 1.00 0.00 N ATOM 136 CA ILE A 10 -6.957 -1.090 -8.036 1.00 0.00 C ATOM 137 C ILE A 10 -6.201 0.117 -8.832 1.00 0.00 C ATOM 138 O ILE A 10 -4.941 0.202 -8.827 1.00 0.00 O ATOM 139 CB ILE A 10 -7.312 -0.733 -6.388 1.00 0.00 C ATOM 140 CG1 ILE A 10 -8.121 -1.928 -5.656 1.00 0.00 C ATOM 141 CG2 ILE A 10 -8.077 0.684 -6.113 1.00 0.00 C ATOM 142 CD1 ILE A 10 -7.656 -2.248 -4.199 1.00 0.00 C ATOM 0 H ILE A 10 -5.263 -2.383 -7.644 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.929 -1.215 -8.513 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.319 -0.631 -5.951 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.180 -1.669 -5.634 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.026 -2.832 -6.258 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.249 0.803 -5.043 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.460 1.507 -6.475 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.033 0.689 -6.637 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.258 -3.062 -3.795 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.607 -2.543 -4.208 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.778 -1.362 -3.575 1.00 0.00 H new ATOM 154 N THR A 11 -7.070 1.001 -9.516 1.00 0.00 N ATOM 155 CA THR A 11 -6.681 2.327 -10.186 1.00 0.00 C ATOM 156 C THR A 11 -7.330 3.575 -9.493 1.00 0.00 C ATOM 157 O THR A 11 -8.596 3.661 -9.335 1.00 0.00 O ATOM 158 CB THR A 11 -6.862 2.417 -11.792 1.00 0.00 C ATOM 159 OG1 THR A 11 -7.873 1.535 -12.322 1.00 0.00 O ATOM 160 CG2 THR A 11 -5.531 2.286 -12.544 1.00 0.00 C ATOM 0 H THR A 11 -8.065 0.800 -9.612 1.00 0.00 H new ATOM 0 HA THR A 11 -5.603 2.344 -10.028 1.00 0.00 H new ATOM 0 HB THR A 11 -7.235 3.425 -11.972 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.927 1.646 -13.294 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.711 2.353 -13.617 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.860 3.088 -12.238 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.075 1.323 -12.312 1.00 0.00 H new ATOM 168 N LEU A 12 -6.385 4.517 -9.046 1.00 0.00 N ATOM 169 CA LEU A 12 -6.677 5.872 -8.416 1.00 0.00 C ATOM 170 C LEU A 12 -6.079 7.057 -9.260 1.00 0.00 C ATOM 171 O LEU A 12 -4.950 6.943 -9.837 1.00 0.00 O ATOM 172 CB LEU A 12 -6.167 5.983 -6.860 1.00 0.00 C ATOM 173 CG LEU A 12 -6.926 5.262 -5.655 1.00 0.00 C ATOM 174 CD1 LEU A 12 -6.022 5.303 -4.447 1.00 0.00 C ATOM 175 CD2 LEU A 12 -8.290 5.948 -5.268 1.00 0.00 C ATOM 0 H LEU A 12 -5.383 4.339 -9.121 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.764 5.957 -8.413 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.139 5.621 -6.842 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.135 7.045 -6.617 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.157 4.247 -5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.516 4.816 -3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.091 4.783 -4.672 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.805 6.340 -4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.749 5.404 -4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.106 6.979 -4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.960 5.936 -6.128 1.00 0.00 H new ATOM 187 N GLU A 13 -6.904 8.208 -9.336 1.00 0.00 N ATOM 188 CA GLU A 13 -6.526 9.570 -9.964 1.00 0.00 C ATOM 189 C GLU A 13 -6.059 10.532 -8.792 1.00 0.00 C ATOM 190 O GLU A 13 -6.827 10.763 -7.786 1.00 0.00 O ATOM 191 CB GLU A 13 -7.739 10.243 -10.797 1.00 0.00 C ATOM 192 CG GLU A 13 -8.314 9.459 -12.016 1.00 0.00 C ATOM 193 CD GLU A 13 -9.550 10.103 -12.687 1.00 0.00 C ATOM 194 OE1 GLU A 13 -10.700 9.779 -12.278 1.00 0.00 O ATOM 195 OE2 GLU A 13 -9.370 10.908 -13.642 1.00 0.00 O ATOM 0 H GLU A 13 -7.852 8.209 -8.960 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.725 9.408 -10.685 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.558 10.428 -10.103 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.399 11.215 -11.155 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.528 9.353 -12.764 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.580 8.454 -11.689 1.00 0.00 H new ATOM 202 N ARG A 14 -4.740 11.063 -8.931 1.00 0.00 N ATOM 203 CA ARG A 14 -3.913 11.922 -7.914 1.00 0.00 C ATOM 204 C ARG A 14 -4.725 13.202 -7.314 1.00 0.00 C ATOM 205 O ARG A 14 -5.045 14.199 -8.054 1.00 0.00 O ATOM 206 CB ARG A 14 -2.497 12.307 -8.580 1.00 0.00 C ATOM 207 CG ARG A 14 -1.268 12.550 -7.600 1.00 0.00 C ATOM 208 CD ARG A 14 0.002 13.112 -8.308 1.00 0.00 C ATOM 209 NE ARG A 14 -0.079 14.620 -8.647 1.00 0.00 N ATOM 210 CZ ARG A 14 0.859 15.458 -9.296 1.00 0.00 C ATOM 211 NH1 ARG A 14 2.064 15.031 -9.788 1.00 0.00 N ATOM 212 NH2 ARG A 14 0.551 16.740 -9.441 1.00 0.00 N ATOM 0 H ARG A 14 -4.208 10.897 -9.785 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.725 11.315 -7.028 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -2.223 11.511 -9.272 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.638 13.211 -9.173 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.572 13.244 -6.816 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.014 11.609 -7.112 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.868 12.940 -7.668 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.170 12.552 -9.228 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.942 15.081 -8.358 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.334 14.052 -9.697 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.692 15.693 -10.245 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.339 17.094 -9.089 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.204 17.372 -9.904 1.00 0.00 H new ATOM 226 N GLY A 15 -5.083 13.044 -5.951 1.00 0.00 N ATOM 227 CA GLY A 15 -5.920 14.030 -5.133 1.00 0.00 C ATOM 228 C GLY A 15 -5.192 15.283 -4.550 1.00 0.00 C ATOM 229 O GLY A 15 -3.938 15.286 -4.384 1.00 0.00 O ATOM 0 H GLY A 15 -4.794 12.231 -5.408 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.739 14.379 -5.762 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.367 13.484 -4.302 1.00 0.00 H new ATOM 233 N ASN A 16 -6.058 16.349 -4.229 1.00 0.00 N ATOM 234 CA ASN A 16 -5.673 17.734 -3.612 1.00 0.00 C ATOM 235 C ASN A 16 -5.460 17.715 -2.010 1.00 0.00 C ATOM 236 O ASN A 16 -4.711 18.590 -1.463 1.00 0.00 O ATOM 237 CB ASN A 16 -6.724 18.881 -4.039 1.00 0.00 C ATOM 238 CG ASN A 16 -6.699 19.315 -5.539 1.00 0.00 C ATOM 239 OD1 ASN A 16 -7.394 18.732 -6.380 1.00 0.00 O ATOM 240 ND2 ASN A 16 -5.920 20.358 -5.855 1.00 0.00 N ATOM 0 H ASN A 16 -7.062 16.276 -4.392 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.697 17.971 -4.035 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.728 18.531 -3.800 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.538 19.762 -3.424 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.886 20.697 -6.817 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.361 20.814 -5.134 1.00 0.00 H new ATOM 247 N SER A 17 -6.109 16.644 -1.296 1.00 0.00 N ATOM 248 CA SER A 17 -6.038 16.368 0.202 1.00 0.00 C ATOM 249 C SER A 17 -4.872 15.295 0.608 1.00 0.00 C ATOM 250 O SER A 17 -4.417 15.323 1.801 1.00 0.00 O ATOM 251 CB SER A 17 -7.485 15.912 0.706 1.00 0.00 C ATOM 252 OG SER A 17 -7.604 15.866 2.138 1.00 0.00 O ATOM 0 H SER A 17 -6.692 15.962 -1.781 1.00 0.00 H new ATOM 0 HA SER A 17 -5.749 17.288 0.709 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.233 16.599 0.309 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.709 14.926 0.299 1.00 0.00 H new ATOM 0 HG SER A 17 -8.510 15.583 2.382 1.00 0.00 H new ATOM 258 N GLY A 18 -4.379 14.390 -0.424 1.00 0.00 N ATOM 259 CA GLY A 18 -3.278 13.378 -0.218 1.00 0.00 C ATOM 260 C GLY A 18 -3.766 11.918 -0.274 1.00 0.00 C ATOM 261 O GLY A 18 -3.268 11.064 0.487 1.00 0.00 O ATOM 0 H GLY A 18 -4.755 14.383 -1.372 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.512 13.526 -0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.806 13.558 0.748 1.00 0.00 H new ATOM 265 N LEU A 19 -4.811 11.658 -1.238 1.00 0.00 N ATOM 266 CA LEU A 19 -5.510 10.322 -1.640 1.00 0.00 C ATOM 267 C LEU A 19 -6.475 9.591 -0.601 1.00 0.00 C ATOM 268 O LEU A 19 -7.339 8.777 -1.031 1.00 0.00 O ATOM 269 CB LEU A 19 -4.574 9.328 -2.544 1.00 0.00 C ATOM 270 CG LEU A 19 -4.053 9.823 -3.918 1.00 0.00 C ATOM 271 CD1 LEU A 19 -2.804 9.042 -4.234 1.00 0.00 C ATOM 272 CD2 LEU A 19 -5.075 9.556 -5.030 1.00 0.00 C ATOM 0 H LEU A 19 -5.198 12.433 -1.777 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.282 10.711 -2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.706 9.057 -1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.140 8.413 -2.718 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.869 10.896 -3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.407 9.364 -5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.059 9.217 -3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.041 7.979 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.680 9.914 -5.981 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.268 8.485 -5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.004 10.078 -4.803 1.00 0.00 H new ATOM 284 N GLY A 20 -6.307 9.912 0.767 1.00 0.00 N ATOM 285 CA GLY A 20 -7.193 9.423 1.903 1.00 0.00 C ATOM 286 C GLY A 20 -6.739 8.154 2.674 1.00 0.00 C ATOM 287 O GLY A 20 -7.618 7.440 3.216 1.00 0.00 O ATOM 0 H GLY A 20 -5.551 10.515 1.091 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.295 10.235 2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.186 9.232 1.496 1.00 0.00 H new ATOM 291 N PHE A 21 -5.322 7.873 2.712 1.00 0.00 N ATOM 292 CA PHE A 21 -4.615 6.737 3.457 1.00 0.00 C ATOM 293 C PHE A 21 -3.068 7.135 3.761 1.00 0.00 C ATOM 294 O PHE A 21 -2.548 8.134 3.155 1.00 0.00 O ATOM 295 CB PHE A 21 -4.775 5.282 2.656 1.00 0.00 C ATOM 296 CG PHE A 21 -4.027 4.990 1.265 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.415 5.597 0.026 1.00 0.00 C ATOM 298 CD2 PHE A 21 -3.001 4.045 1.238 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.778 5.255 -1.171 1.00 0.00 C ATOM 300 CE2 PHE A 21 -2.361 3.713 0.045 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.750 4.315 -1.155 1.00 0.00 C ATOM 0 H PHE A 21 -4.658 8.460 2.206 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.102 6.595 4.422 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.460 4.504 3.352 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.840 5.137 2.477 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.210 6.328 0.017 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.698 3.563 2.156 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.080 5.716 -2.100 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.561 2.987 0.048 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.251 4.050 -2.075 1.00 0.00 H new ATOM 311 N SER A 22 -2.341 6.338 4.732 1.00 0.00 N ATOM 312 CA SER A 22 -0.843 6.433 5.014 1.00 0.00 C ATOM 313 C SER A 22 -0.181 4.989 5.041 1.00 0.00 C ATOM 314 O SER A 22 -0.818 4.002 5.557 1.00 0.00 O ATOM 315 CB SER A 22 -0.529 7.260 6.313 1.00 0.00 C ATOM 316 OG SER A 22 -0.872 8.635 6.185 1.00 0.00 O ATOM 0 H SER A 22 -2.804 5.637 5.310 1.00 0.00 H new ATOM 0 HA SER A 22 -0.389 6.987 4.193 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.075 6.830 7.153 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.533 7.175 6.545 1.00 0.00 H new ATOM 0 HG SER A 22 -0.369 9.030 5.442 1.00 0.00 H new ATOM 322 N ILE A 23 1.144 4.871 4.475 1.00 0.00 N ATOM 323 CA ILE A 23 1.932 3.512 4.294 1.00 0.00 C ATOM 324 C ILE A 23 3.307 3.305 5.010 1.00 0.00 C ATOM 325 O ILE A 23 4.270 4.077 4.812 1.00 0.00 O ATOM 326 CB ILE A 23 1.882 2.804 2.820 1.00 0.00 C ATOM 327 CG1 ILE A 23 2.036 3.718 1.482 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.620 2.022 2.777 1.00 0.00 C ATOM 329 CD1 ILE A 23 3.410 4.394 1.119 1.00 0.00 C ATOM 0 H ILE A 23 1.670 5.681 4.147 1.00 0.00 H new ATOM 0 HA ILE A 23 1.254 2.943 4.930 1.00 0.00 H new ATOM 0 HB ILE A 23 2.796 2.214 2.757 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.753 3.094 0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.296 4.515 1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.533 1.525 1.811 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.628 1.274 3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.228 2.692 2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.304 4.959 0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.708 5.068 1.923 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.171 3.625 0.990 1.00 0.00 H new ATOM 341 N ALA A 24 3.347 2.135 5.837 1.00 0.00 N ATOM 342 CA ALA A 24 4.519 1.703 6.704 1.00 0.00 C ATOM 343 C ALA A 24 5.362 0.563 6.007 1.00 0.00 C ATOM 344 O ALA A 24 4.840 -0.563 5.723 1.00 0.00 O ATOM 345 CB ALA A 24 4.020 1.309 8.149 1.00 0.00 C ATOM 0 H ALA A 24 2.558 1.491 5.898 1.00 0.00 H new ATOM 0 HA ALA A 24 5.199 2.547 6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.871 1.002 8.757 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.534 2.167 8.613 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.310 0.485 8.077 1.00 0.00 H new ATOM 351 N GLY A 25 6.674 0.922 5.740 1.00 0.00 N ATOM 352 CA GLY A 25 7.681 0.081 4.997 1.00 0.00 C ATOM 353 C GLY A 25 9.113 0.615 5.086 1.00 0.00 C ATOM 354 O GLY A 25 9.313 1.849 5.366 1.00 0.00 O ATOM 0 H GLY A 25 7.060 1.817 6.042 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.656 -0.934 5.393 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.389 0.022 3.948 1.00 0.00 H new ATOM 358 N GLY A 26 10.117 -0.324 4.816 1.00 0.00 N ATOM 359 CA GLY A 26 11.581 0.001 5.036 1.00 0.00 C ATOM 360 C GLY A 26 12.624 -1.095 4.816 1.00 0.00 C ATOM 361 O GLY A 26 12.355 -2.302 5.042 1.00 0.00 O ATOM 0 H GLY A 26 9.940 -1.264 4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.835 0.834 4.381 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.689 0.357 6.061 1.00 0.00 H new ATOM 365 N THR A 27 13.841 -0.618 4.306 1.00 0.00 N ATOM 366 CA THR A 27 15.191 -1.387 4.310 1.00 0.00 C ATOM 367 C THR A 27 16.171 -0.928 5.475 1.00 0.00 C ATOM 368 O THR A 27 16.880 -1.806 6.065 1.00 0.00 O ATOM 369 CB THR A 27 15.971 -1.522 2.907 1.00 0.00 C ATOM 370 OG1 THR A 27 15.982 -0.305 2.137 1.00 0.00 O ATOM 371 CG2 THR A 27 15.489 -2.719 2.072 1.00 0.00 C ATOM 0 H THR A 27 13.921 0.306 3.881 1.00 0.00 H new ATOM 0 HA THR A 27 14.855 -2.403 4.515 1.00 0.00 H new ATOM 0 HB THR A 27 17.008 -1.719 3.179 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.471 -0.452 1.300 1.00 0.00 H new ATOM 0 HG21 THR A 27 16.049 -2.760 1.138 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.648 -3.641 2.632 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.427 -2.606 1.853 1.00 0.00 H new ATOM 379 N ASP A 28 16.168 0.477 5.810 1.00 0.00 N ATOM 380 CA ASP A 28 16.937 1.094 6.989 1.00 0.00 C ATOM 381 C ASP A 28 16.021 1.635 8.197 1.00 0.00 C ATOM 382 O ASP A 28 16.472 1.599 9.387 1.00 0.00 O ATOM 383 CB ASP A 28 18.194 2.070 6.601 1.00 0.00 C ATOM 384 CG ASP A 28 17.977 3.257 5.626 1.00 0.00 C ATOM 385 OD1 ASP A 28 17.409 4.293 6.049 1.00 0.00 O ATOM 386 OD2 ASP A 28 18.420 3.149 4.464 1.00 0.00 O ATOM 0 H ASP A 28 15.642 1.166 5.272 1.00 0.00 H new ATOM 0 HA ASP A 28 17.435 0.219 7.407 1.00 0.00 H new ATOM 0 HB2 ASP A 28 18.585 2.481 7.531 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.976 1.440 6.177 1.00 0.00 H new ATOM 391 N ASN A 29 14.704 2.089 7.847 1.00 0.00 N ATOM 392 CA ASN A 29 13.642 2.627 8.805 1.00 0.00 C ATOM 393 C ASN A 29 12.492 1.496 9.173 1.00 0.00 C ATOM 394 O ASN A 29 11.604 1.225 8.298 1.00 0.00 O ATOM 395 CB ASN A 29 13.027 4.049 8.331 1.00 0.00 C ATOM 396 CG ASN A 29 13.988 5.271 8.463 1.00 0.00 C ATOM 397 OD1 ASN A 29 14.043 5.925 9.511 1.00 0.00 O ATOM 398 ND2 ASN A 29 14.711 5.591 7.382 1.00 0.00 N ATOM 0 H ASN A 29 14.378 2.079 6.880 1.00 0.00 H new ATOM 0 HA ASN A 29 14.153 2.840 9.744 1.00 0.00 H new ATOM 0 HB2 ASN A 29 12.717 3.963 7.289 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.129 4.250 8.915 1.00 0.00 H new ATOM 0 HD21 ASN A 29 15.334 6.398 7.406 1.00 0.00 H new ATOM 0 HD22 ASN A 29 14.639 5.027 6.535 1.00 0.00 H new ATOM 405 N PRO A 30 12.531 0.729 10.518 1.00 0.00 N ATOM 406 CA PRO A 30 11.489 -0.362 10.926 1.00 0.00 C ATOM 407 C PRO A 30 10.005 0.126 11.388 1.00 0.00 C ATOM 408 O PRO A 30 9.805 1.320 11.765 1.00 0.00 O ATOM 409 CB PRO A 30 12.207 -1.158 12.090 1.00 0.00 C ATOM 410 CG PRO A 30 13.598 -0.564 12.270 1.00 0.00 C ATOM 411 CD PRO A 30 13.602 0.812 11.640 1.00 0.00 C ATOM 0 HA PRO A 30 11.243 -0.942 10.037 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.636 -1.080 13.015 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.273 -2.218 11.844 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.851 -0.500 13.328 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.348 -1.201 11.801 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.354 1.583 12.369 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.583 1.060 11.235 1.00 0.00 H new ATOM 419 N HIS A 31 9.002 -0.887 11.305 1.00 0.00 N ATOM 420 CA HIS A 31 7.561 -0.810 11.763 1.00 0.00 C ATOM 421 C HIS A 31 7.329 -1.548 13.198 1.00 0.00 C ATOM 422 O HIS A 31 6.600 -0.967 14.046 1.00 0.00 O ATOM 423 CB HIS A 31 6.583 -1.311 10.538 1.00 0.00 C ATOM 424 CG HIS A 31 5.033 -1.520 10.769 1.00 0.00 C ATOM 425 ND1 HIS A 31 4.155 -0.545 11.244 1.00 0.00 N ATOM 426 CD2 HIS A 31 4.283 -2.632 10.606 1.00 0.00 C ATOM 427 CE1 HIS A 31 2.933 -1.068 11.361 1.00 0.00 C ATOM 428 NE2 HIS A 31 2.989 -2.331 10.979 1.00 0.00 N ATOM 0 H HIS A 31 9.215 -1.798 10.898 1.00 0.00 H new ATOM 0 HA HIS A 31 7.286 0.223 11.976 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.691 -0.590 9.728 1.00 0.00 H new ATOM 0 HB3 HIS A 31 6.983 -2.259 10.177 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.634 -3.588 10.247 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.052 -0.549 11.708 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.202 -2.980 10.962 1.00 0.00 H new ATOM 437 N ILE A 32 7.968 -2.821 13.420 1.00 0.00 N ATOM 438 CA ILE A 32 7.787 -3.685 14.711 1.00 0.00 C ATOM 439 C ILE A 32 9.159 -3.945 15.511 1.00 0.00 C ATOM 440 O ILE A 32 9.187 -3.830 16.750 1.00 0.00 O ATOM 441 CB ILE A 32 6.833 -5.114 14.509 1.00 0.00 C ATOM 442 CG1 ILE A 32 7.514 -6.502 13.839 1.00 0.00 C ATOM 443 CG2 ILE A 32 5.428 -4.835 13.884 1.00 0.00 C ATOM 444 CD1 ILE A 32 8.284 -6.432 12.482 1.00 0.00 C ATOM 0 H ILE A 32 8.592 -3.249 12.736 1.00 0.00 H new ATOM 0 HA ILE A 32 7.181 -3.052 15.359 1.00 0.00 H new ATOM 0 HB ILE A 32 6.746 -5.393 15.559 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.202 -6.912 14.578 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.710 -7.227 13.715 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.881 -5.773 13.785 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.871 -4.157 14.530 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.551 -4.381 12.901 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.647 -7.425 12.218 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.614 -6.071 11.702 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.129 -5.751 12.578 1.00 0.00 H new ATOM 456 N GLY A 33 10.245 -4.302 14.713 1.00 0.00 N ATOM 457 CA GLY A 33 11.629 -4.670 15.170 1.00 0.00 C ATOM 458 C GLY A 33 12.668 -4.552 14.059 1.00 0.00 C ATOM 459 O GLY A 33 13.678 -3.826 14.215 1.00 0.00 O ATOM 0 H GLY A 33 10.161 -4.338 13.697 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.916 -4.025 16.000 1.00 0.00 H new ATOM 0 HA3 GLY A 33 11.622 -5.692 15.548 1.00 0.00 H new ATOM 463 N ASP A 34 12.371 -5.311 12.904 1.00 0.00 N ATOM 464 CA ASP A 34 13.159 -5.443 11.591 1.00 0.00 C ATOM 465 C ASP A 34 12.115 -6.002 10.512 1.00 0.00 C ATOM 466 O ASP A 34 11.958 -7.265 10.304 1.00 0.00 O ATOM 467 CB ASP A 34 14.562 -6.344 11.727 1.00 0.00 C ATOM 468 CG ASP A 34 15.597 -6.196 10.567 1.00 0.00 C ATOM 469 OD1 ASP A 34 16.475 -5.308 10.659 1.00 0.00 O ATOM 470 OD2 ASP A 34 15.517 -6.980 9.592 1.00 0.00 O ATOM 0 H ASP A 34 11.523 -5.877 12.873 1.00 0.00 H new ATOM 0 HA ASP A 34 13.552 -4.477 11.275 1.00 0.00 H new ATOM 0 HB2 ASP A 34 15.054 -6.071 12.661 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.286 -7.396 11.807 1.00 0.00 H new ATOM 475 N ASP A 35 11.302 -4.991 9.941 1.00 0.00 N ATOM 476 CA ASP A 35 10.194 -5.209 8.921 1.00 0.00 C ATOM 477 C ASP A 35 10.699 -4.908 7.356 1.00 0.00 C ATOM 478 O ASP A 35 10.806 -3.705 6.984 1.00 0.00 O ATOM 479 CB ASP A 35 8.862 -4.405 9.407 1.00 0.00 C ATOM 480 CG ASP A 35 7.519 -4.829 8.792 1.00 0.00 C ATOM 481 OD1 ASP A 35 6.955 -5.846 9.249 1.00 0.00 O ATOM 482 OD2 ASP A 35 7.031 -4.119 7.898 1.00 0.00 O ATOM 0 H ASP A 35 11.414 -4.008 10.189 1.00 0.00 H new ATOM 0 HA ASP A 35 9.919 -6.263 8.879 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.784 -4.505 10.490 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.011 -3.346 9.195 1.00 0.00 H new ATOM 487 N PRO A 36 11.095 -6.076 6.411 1.00 0.00 N ATOM 488 CA PRO A 36 11.485 -5.891 4.907 1.00 0.00 C ATOM 489 C PRO A 36 10.274 -5.586 3.844 1.00 0.00 C ATOM 490 O PRO A 36 10.518 -4.894 2.812 1.00 0.00 O ATOM 491 CB PRO A 36 12.246 -7.240 4.554 1.00 0.00 C ATOM 492 CG PRO A 36 12.460 -7.969 5.863 1.00 0.00 C ATOM 493 CD PRO A 36 11.308 -7.580 6.758 1.00 0.00 C ATOM 0 HA PRO A 36 12.077 -4.982 4.801 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.660 -7.847 3.864 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.198 -7.032 4.066 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.485 -9.048 5.708 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.413 -7.690 6.312 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.417 -8.173 6.551 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.548 -7.722 7.812 1.00 0.00 H new ATOM 501 N SER A 37 8.973 -6.100 4.188 1.00 0.00 N ATOM 502 CA SER A 37 7.677 -5.983 3.354 1.00 0.00 C ATOM 503 C SER A 37 6.760 -4.771 3.831 1.00 0.00 C ATOM 504 O SER A 37 6.687 -4.476 5.066 1.00 0.00 O ATOM 505 CB SER A 37 6.879 -7.357 3.354 1.00 0.00 C ATOM 506 OG SER A 37 7.607 -8.399 2.706 1.00 0.00 O ATOM 0 H SER A 37 8.819 -6.606 5.060 1.00 0.00 H new ATOM 0 HA SER A 37 7.970 -5.763 2.327 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.663 -7.651 4.381 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.920 -7.219 2.854 1.00 0.00 H new ATOM 0 HG SER A 37 7.083 -9.227 2.729 1.00 0.00 H new ATOM 512 N ILE A 38 6.044 -4.074 2.803 1.00 0.00 N ATOM 513 CA ILE A 38 5.201 -2.791 3.009 1.00 0.00 C ATOM 514 C ILE A 38 3.642 -3.173 3.342 1.00 0.00 C ATOM 515 O ILE A 38 2.983 -3.915 2.571 1.00 0.00 O ATOM 516 CB ILE A 38 5.385 -1.621 1.737 1.00 0.00 C ATOM 517 CG1 ILE A 38 6.863 -1.508 0.905 1.00 0.00 C ATOM 518 CG2 ILE A 38 4.900 -0.159 2.108 1.00 0.00 C ATOM 519 CD1 ILE A 38 8.279 -1.666 1.627 1.00 0.00 C ATOM 0 H ILE A 38 6.045 -4.391 1.834 1.00 0.00 H new ATOM 0 HA ILE A 38 5.599 -2.278 3.884 1.00 0.00 H new ATOM 0 HB ILE A 38 4.704 -2.091 1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.832 -2.259 0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.871 -0.533 0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.053 0.502 1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.841 -0.181 2.365 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.472 0.209 2.960 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.076 -1.555 0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.384 -0.899 2.395 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.345 -2.652 2.087 1.00 0.00 H new ATOM 531 N PHE A 39 3.148 -2.621 4.550 1.00 0.00 N ATOM 532 CA PHE A 39 1.764 -2.841 5.199 1.00 0.00 C ATOM 533 C PHE A 39 0.967 -1.465 5.393 1.00 0.00 C ATOM 534 O PHE A 39 1.606 -0.345 5.515 1.00 0.00 O ATOM 535 CB PHE A 39 1.882 -3.556 6.686 1.00 0.00 C ATOM 536 CG PHE A 39 2.447 -5.023 6.868 1.00 0.00 C ATOM 537 CD1 PHE A 39 1.692 -6.172 6.538 1.00 0.00 C ATOM 538 CD2 PHE A 39 3.701 -5.227 7.452 1.00 0.00 C ATOM 539 CE1 PHE A 39 2.186 -7.449 6.773 1.00 0.00 C ATOM 540 CE2 PHE A 39 4.192 -6.511 7.680 1.00 0.00 C ATOM 541 CZ PHE A 39 3.433 -7.615 7.343 1.00 0.00 C ATOM 0 H PHE A 39 3.725 -1.993 5.109 1.00 0.00 H new ATOM 0 HA PHE A 39 1.225 -3.493 4.512 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.500 -2.902 7.301 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.882 -3.548 7.119 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.714 -6.055 6.095 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.300 -4.373 7.732 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.594 -8.313 6.510 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.169 -6.643 8.121 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.815 -8.609 7.525 1.00 0.00 H new ATOM 551 N ILE A 40 -0.478 -1.573 5.408 1.00 0.00 N ATOM 552 CA ILE A 40 -1.466 -0.456 5.806 1.00 0.00 C ATOM 553 C ILE A 40 -1.712 -0.512 7.397 1.00 0.00 C ATOM 554 O ILE A 40 -1.772 -1.623 8.023 1.00 0.00 O ATOM 555 CB ILE A 40 -2.972 -0.503 5.013 1.00 0.00 C ATOM 556 CG1 ILE A 40 -3.042 -1.187 3.516 1.00 0.00 C ATOM 557 CG2 ILE A 40 -3.760 0.901 5.031 1.00 0.00 C ATOM 558 CD1 ILE A 40 -2.197 -0.597 2.355 1.00 0.00 C ATOM 0 H ILE A 40 -0.954 -2.436 5.144 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.995 0.476 5.493 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.492 -1.218 5.650 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.759 -2.234 3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.085 -1.170 3.200 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.710 0.792 4.507 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.947 1.200 6.062 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.158 1.663 4.536 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.371 -1.176 1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.486 0.440 2.185 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.140 -0.641 2.616 1.00 0.00 H new ATOM 570 N THR A 41 -1.870 0.741 7.963 1.00 0.00 N ATOM 571 CA THR A 41 -2.113 1.055 9.461 1.00 0.00 C ATOM 572 C THR A 41 -3.013 2.351 9.708 1.00 0.00 C ATOM 573 O THR A 41 -3.706 2.407 10.777 1.00 0.00 O ATOM 574 CB THR A 41 -0.775 0.897 10.495 1.00 0.00 C ATOM 575 OG1 THR A 41 -1.099 1.103 11.889 1.00 0.00 O ATOM 576 CG2 THR A 41 0.487 1.741 10.137 1.00 0.00 C ATOM 0 H THR A 41 -1.834 1.588 7.396 1.00 0.00 H new ATOM 0 HA THR A 41 -2.730 0.219 9.790 1.00 0.00 H new ATOM 0 HB THR A 41 -0.503 -0.145 10.326 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.001 1.479 11.963 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.271 1.553 10.871 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.843 1.460 9.146 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.230 2.800 10.144 1.00 0.00 H new ATOM 584 N LYS A 42 -3.024 3.382 8.671 1.00 0.00 N ATOM 585 CA LYS A 42 -3.828 4.650 8.774 1.00 0.00 C ATOM 586 C LYS A 42 -4.783 4.831 7.514 1.00 0.00 C ATOM 587 O LYS A 42 -4.327 4.769 6.324 1.00 0.00 O ATOM 588 CB LYS A 42 -2.841 5.921 9.052 1.00 0.00 C ATOM 589 CG LYS A 42 -3.377 7.116 9.926 1.00 0.00 C ATOM 590 CD LYS A 42 -3.975 8.285 9.115 1.00 0.00 C ATOM 591 CE LYS A 42 -4.500 9.365 10.042 1.00 0.00 C ATOM 592 NZ LYS A 42 -4.926 10.589 9.318 1.00 0.00 N ATOM 0 H LYS A 42 -2.486 3.309 7.808 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.498 4.588 9.632 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.938 5.540 9.530 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.543 6.326 8.085 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.138 6.737 10.609 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.560 7.496 10.539 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.215 8.703 8.455 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.782 7.919 8.480 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.344 8.972 10.609 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.725 9.626 10.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.620 11.430 9.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.495 10.600 8.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.962 10.595 9.227 1.00 0.00 H new ATOM 606 N ILE A 43 -6.142 4.985 7.855 1.00 0.00 N ATOM 607 CA ILE A 43 -7.287 5.309 6.919 1.00 0.00 C ATOM 608 C ILE A 43 -7.985 6.662 7.435 1.00 0.00 C ATOM 609 O ILE A 43 -8.350 6.778 8.652 1.00 0.00 O ATOM 610 CB ILE A 43 -8.388 3.968 6.682 1.00 0.00 C ATOM 611 CG1 ILE A 43 -7.724 2.602 6.009 1.00 0.00 C ATOM 612 CG2 ILE A 43 -9.822 4.279 6.018 1.00 0.00 C ATOM 613 CD1 ILE A 43 -6.974 2.677 4.599 1.00 0.00 C ATOM 0 H ILE A 43 -6.459 4.880 8.819 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.903 5.482 5.913 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.600 3.758 7.730 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.013 2.200 6.731 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.525 1.870 5.909 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.393 3.354 5.935 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.367 4.987 6.643 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.678 4.707 5.026 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.610 1.686 4.327 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.668 3.030 3.836 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.132 3.366 4.671 1.00 0.00 H new ATOM 625 N ILE A 44 -8.161 7.648 6.444 1.00 0.00 N ATOM 626 CA ILE A 44 -8.901 8.985 6.612 1.00 0.00 C ATOM 627 C ILE A 44 -10.552 8.774 6.381 1.00 0.00 C ATOM 628 O ILE A 44 -10.925 8.180 5.332 1.00 0.00 O ATOM 629 CB ILE A 44 -8.174 10.259 5.679 1.00 0.00 C ATOM 630 CG1 ILE A 44 -6.688 10.672 6.116 1.00 0.00 C ATOM 631 CG2 ILE A 44 -8.960 11.607 5.625 1.00 0.00 C ATOM 632 CD1 ILE A 44 -5.545 9.730 5.790 1.00 0.00 C ATOM 0 H ILE A 44 -7.788 7.530 5.502 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.792 9.329 7.640 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.181 9.771 4.704 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.464 11.635 5.657 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.692 10.826 7.195 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.410 12.324 5.016 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.944 11.437 5.187 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.075 12.002 6.634 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.609 10.155 6.152 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.717 8.768 6.273 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.486 9.589 4.711 1.00 0.00 H new ATOM 644 N PRO A 45 -11.565 9.300 7.415 1.00 0.00 N ATOM 645 CA PRO A 45 -13.122 9.144 7.292 1.00 0.00 C ATOM 646 C PRO A 45 -13.864 9.873 6.027 1.00 0.00 C ATOM 647 O PRO A 45 -14.991 9.422 5.629 1.00 0.00 O ATOM 648 CB PRO A 45 -13.651 9.683 8.681 1.00 0.00 C ATOM 649 CG PRO A 45 -12.464 9.660 9.608 1.00 0.00 C ATOM 650 CD PRO A 45 -11.271 10.018 8.758 1.00 0.00 C ATOM 0 HA PRO A 45 -13.362 8.103 7.075 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.051 10.692 8.582 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.457 9.057 9.062 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -12.591 10.372 10.423 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.340 8.676 10.061 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.179 11.096 8.627 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.339 9.671 9.205 1.00 0.00 H new ATOM 658 N GLY A 46 -13.162 10.960 5.422 1.00 0.00 N ATOM 659 CA GLY A 46 -13.641 11.733 4.224 1.00 0.00 C ATOM 660 C GLY A 46 -12.601 11.918 3.074 1.00 0.00 C ATOM 661 O GLY A 46 -12.538 13.041 2.503 1.00 0.00 O ATOM 0 H GLY A 46 -12.264 11.292 5.774 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.518 11.230 3.817 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.965 12.719 4.557 1.00 0.00 H new ATOM 665 N GLY A 47 -11.766 10.787 2.753 1.00 0.00 N ATOM 666 CA GLY A 47 -10.790 10.716 1.587 1.00 0.00 C ATOM 667 C GLY A 47 -11.334 10.023 0.282 1.00 0.00 C ATOM 668 O GLY A 47 -12.524 9.599 0.223 1.00 0.00 O ATOM 0 H GLY A 47 -11.777 9.931 3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.479 11.730 1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.899 10.182 1.915 1.00 0.00 H new ATOM 672 N ALA A 48 -10.393 9.926 -0.772 1.00 0.00 N ATOM 673 CA ALA A 48 -10.627 9.374 -2.196 1.00 0.00 C ATOM 674 C ALA A 48 -10.591 7.761 -2.357 1.00 0.00 C ATOM 675 O ALA A 48 -11.355 7.222 -3.179 1.00 0.00 O ATOM 676 CB ALA A 48 -9.681 10.108 -3.211 1.00 0.00 C ATOM 0 H ALA A 48 -9.431 10.239 -0.645 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.667 9.602 -2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.849 9.716 -4.214 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.894 11.177 -3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.642 9.942 -2.926 1.00 0.00 H new ATOM 682 N ALA A 49 -9.671 7.020 -1.538 1.00 0.00 N ATOM 683 CA ALA A 49 -9.501 5.474 -1.484 1.00 0.00 C ATOM 684 C ALA A 49 -10.560 4.678 -0.563 1.00 0.00 C ATOM 685 O ALA A 49 -10.849 3.454 -0.836 1.00 0.00 O ATOM 686 CB ALA A 49 -8.058 5.124 -1.109 1.00 0.00 C ATOM 0 H ALA A 49 -9.032 7.495 -0.900 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.729 5.124 -2.491 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.944 4.041 -1.072 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.378 5.535 -1.855 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.823 5.547 -0.132 1.00 0.00 H new ATOM 692 N ALA A 50 -11.152 5.438 0.519 1.00 0.00 N ATOM 693 CA ALA A 50 -12.179 4.958 1.546 1.00 0.00 C ATOM 694 C ALA A 50 -13.705 5.093 1.053 1.00 0.00 C ATOM 695 O ALA A 50 -14.491 4.119 1.226 1.00 0.00 O ATOM 696 CB ALA A 50 -11.938 5.687 2.921 1.00 0.00 C ATOM 0 H ALA A 50 -10.899 6.414 0.671 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.025 3.887 1.676 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.672 5.342 3.649 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.935 5.461 3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.040 6.764 2.785 1.00 0.00 H new ATOM 702 N GLN A 51 -14.081 6.336 0.412 1.00 0.00 N ATOM 703 CA GLN A 51 -15.456 6.710 -0.165 1.00 0.00 C ATOM 704 C GLN A 51 -15.656 6.337 -1.715 1.00 0.00 C ATOM 705 O GLN A 51 -16.676 5.666 -2.045 1.00 0.00 O ATOM 706 CB GLN A 51 -15.758 8.262 0.090 1.00 0.00 C ATOM 707 CG GLN A 51 -15.948 8.739 1.608 1.00 0.00 C ATOM 708 CD GLN A 51 -17.390 8.670 2.309 1.00 0.00 C ATOM 709 OE1 GLN A 51 -17.687 9.521 3.147 1.00 0.00 O ATOM 710 NE2 GLN A 51 -18.237 7.633 2.038 1.00 0.00 N ATOM 0 H GLN A 51 -13.406 7.092 0.297 1.00 0.00 H new ATOM 0 HA GLN A 51 -16.180 6.095 0.370 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.942 8.839 -0.344 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -16.662 8.524 -0.460 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -15.265 8.149 2.219 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -15.612 9.774 1.664 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -17.980 6.934 1.341 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -19.126 7.558 2.532 1.00 0.00 H new ATOM 719 N ASP A 52 -14.634 6.776 -2.655 1.00 0.00 N ATOM 720 CA ASP A 52 -14.666 6.622 -4.171 1.00 0.00 C ATOM 721 C ASP A 52 -14.016 5.293 -4.786 1.00 0.00 C ATOM 722 O ASP A 52 -14.565 4.789 -5.825 1.00 0.00 O ATOM 723 CB ASP A 52 -14.098 7.930 -4.883 1.00 0.00 C ATOM 724 CG ASP A 52 -15.078 9.130 -4.982 1.00 0.00 C ATOM 725 OD1 ASP A 52 -15.812 9.223 -5.997 1.00 0.00 O ATOM 726 OD2 ASP A 52 -15.090 9.973 -4.053 1.00 0.00 O ATOM 0 H ASP A 52 -13.784 7.241 -2.336 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.726 6.497 -4.393 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.209 8.256 -4.344 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.780 7.662 -5.890 1.00 0.00 H new ATOM 731 N GLY A 53 -12.878 4.683 -4.098 1.00 0.00 N ATOM 732 CA GLY A 53 -12.095 3.500 -4.672 1.00 0.00 C ATOM 733 C GLY A 53 -12.598 2.076 -4.313 1.00 0.00 C ATOM 734 O GLY A 53 -13.203 1.446 -5.191 1.00 0.00 O ATOM 0 H GLY A 53 -12.533 5.005 -3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.090 3.593 -5.758 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.060 3.587 -4.340 1.00 0.00 H new ATOM 738 N ARG A 54 -12.351 1.590 -2.968 1.00 0.00 N ATOM 739 CA ARG A 54 -12.749 0.183 -2.253 1.00 0.00 C ATOM 740 C ARG A 54 -11.891 -0.132 -0.924 1.00 0.00 C ATOM 741 O ARG A 54 -12.409 -0.863 -0.009 1.00 0.00 O ATOM 742 CB ARG A 54 -12.677 -1.177 -3.180 1.00 0.00 C ATOM 743 CG ARG A 54 -13.954 -1.533 -3.972 1.00 0.00 C ATOM 744 CD ARG A 54 -13.767 -2.814 -4.787 1.00 0.00 C ATOM 745 NE ARG A 54 -15.010 -3.182 -5.584 1.00 0.00 N ATOM 746 CZ ARG A 54 -15.240 -4.288 -6.452 1.00 0.00 C ATOM 747 NH1 ARG A 54 -14.312 -5.264 -6.723 1.00 0.00 N ATOM 748 NH2 ARG A 54 -16.427 -4.386 -7.037 1.00 0.00 N ATOM 0 H ARG A 54 -11.847 2.184 -2.310 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.796 0.383 -2.026 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.855 -1.066 -3.888 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.429 -2.019 -2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.789 -1.658 -3.282 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.212 -0.710 -4.639 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.926 -2.688 -5.469 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.513 -3.634 -4.116 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.796 -2.541 -5.481 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.389 -5.224 -6.291 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.546 -6.029 -7.356 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -17.143 -3.681 -6.860 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.624 -5.166 -7.664 1.00 0.00 H new ATOM 762 N LEU A 55 -10.606 0.527 -0.771 1.00 0.00 N ATOM 763 CA LEU A 55 -9.474 0.140 0.180 1.00 0.00 C ATOM 764 C LEU A 55 -9.729 0.321 1.767 1.00 0.00 C ATOM 765 O LEU A 55 -10.171 1.399 2.264 1.00 0.00 O ATOM 766 CB LEU A 55 -8.137 0.867 -0.362 1.00 0.00 C ATOM 767 CG LEU A 55 -6.702 0.629 0.273 1.00 0.00 C ATOM 768 CD1 LEU A 55 -5.881 -0.425 -0.466 1.00 0.00 C ATOM 769 CD2 LEU A 55 -6.005 1.931 0.290 1.00 0.00 C ATOM 0 H LEU A 55 -10.366 1.346 -1.329 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.380 -0.945 0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.053 0.612 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.325 1.939 -0.307 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.824 0.235 1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.912 -0.538 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.410 -1.378 -0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.734 -0.113 -1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.012 1.806 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.914 2.308 -0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.575 2.641 0.890 1.00 0.00 H new ATOM 781 N ARG A 56 -9.452 -0.860 2.464 1.00 0.00 N ATOM 782 CA ARG A 56 -9.396 -1.099 3.977 1.00 0.00 C ATOM 783 C ARG A 56 -7.885 -1.420 4.458 1.00 0.00 C ATOM 784 O ARG A 56 -7.031 -1.914 3.646 1.00 0.00 O ATOM 785 CB ARG A 56 -10.397 -2.291 4.427 1.00 0.00 C ATOM 786 CG ARG A 56 -11.895 -2.020 4.405 1.00 0.00 C ATOM 787 CD ARG A 56 -12.573 -3.274 4.863 1.00 0.00 C ATOM 788 NE ARG A 56 -14.087 -3.159 4.940 1.00 0.00 N ATOM 789 CZ ARG A 56 -15.050 -4.108 5.393 1.00 0.00 C ATOM 790 NH1 ARG A 56 -14.736 -5.353 5.883 1.00 0.00 N ATOM 791 NH2 ARG A 56 -16.331 -3.770 5.343 1.00 0.00 N ATOM 0 H ARG A 56 -9.250 -1.720 1.953 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.726 -0.181 4.463 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.204 -3.149 3.782 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.127 -2.587 5.441 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.146 -1.185 5.059 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.223 -1.748 3.402 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.314 -4.085 4.183 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.188 -3.546 5.846 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.471 -2.270 4.620 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.761 -5.648 5.940 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.478 -5.982 6.190 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.603 -2.853 4.988 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.044 -4.427 5.660 1.00 0.00 H new ATOM 805 N VAL A 57 -7.597 -1.200 5.839 1.00 0.00 N ATOM 806 CA VAL A 57 -6.216 -1.535 6.644 1.00 0.00 C ATOM 807 C VAL A 57 -5.668 -3.042 6.514 1.00 0.00 C ATOM 808 O VAL A 57 -4.424 -3.303 6.565 1.00 0.00 O ATOM 809 CB VAL A 57 -6.187 -1.089 8.236 1.00 0.00 C ATOM 810 CG1 VAL A 57 -5.906 0.370 8.397 1.00 0.00 C ATOM 811 CG2 VAL A 57 -7.472 -1.454 9.040 1.00 0.00 C ATOM 0 H VAL A 57 -8.296 -0.786 6.456 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.531 -0.886 6.098 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.373 -1.677 8.659 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.895 0.624 9.457 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.936 0.604 7.958 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.681 0.948 7.894 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.361 -1.123 10.073 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.334 -0.961 8.591 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.620 -2.534 9.019 1.00 0.00 H new ATOM 821 N ASN A 58 -6.697 -3.965 6.298 1.00 0.00 N ATOM 822 CA ASN A 58 -6.617 -5.428 6.183 1.00 0.00 C ATOM 823 C ASN A 58 -6.382 -5.919 4.611 1.00 0.00 C ATOM 824 O ASN A 58 -6.373 -7.166 4.340 1.00 0.00 O ATOM 825 CB ASN A 58 -7.959 -5.985 6.897 1.00 0.00 C ATOM 826 CG ASN A 58 -7.943 -7.474 7.383 1.00 0.00 C ATOM 827 OD1 ASN A 58 -7.534 -7.767 8.511 1.00 0.00 O ATOM 828 ND2 ASN A 58 -8.425 -8.393 6.537 1.00 0.00 N ATOM 0 H ASN A 58 -7.660 -3.644 6.198 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.744 -5.847 6.684 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -8.173 -5.351 7.757 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.788 -5.866 6.199 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.463 -9.373 6.817 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.754 -8.113 5.613 1.00 0.00 H new ATOM 835 N ASP A 59 -6.114 -4.870 3.591 1.00 0.00 N ATOM 836 CA ASP A 59 -5.815 -5.169 2.103 1.00 0.00 C ATOM 837 C ASP A 59 -4.282 -5.459 1.757 1.00 0.00 C ATOM 838 O ASP A 59 -3.999 -6.379 0.926 1.00 0.00 O ATOM 839 CB ASP A 59 -6.444 -4.097 1.124 1.00 0.00 C ATOM 840 CG ASP A 59 -7.953 -4.271 0.820 1.00 0.00 C ATOM 841 OD1 ASP A 59 -8.790 -3.807 1.627 1.00 0.00 O ATOM 842 OD2 ASP A 59 -8.281 -4.859 -0.237 1.00 0.00 O ATOM 0 H ASP A 59 -6.110 -3.874 3.811 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.322 -6.118 1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.290 -3.106 1.552 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.896 -4.126 0.182 1.00 0.00 H new ATOM 847 N SER A 60 -3.260 -4.641 2.440 1.00 0.00 N ATOM 848 CA SER A 60 -1.671 -4.705 2.328 1.00 0.00 C ATOM 849 C SER A 60 -1.073 -4.816 0.828 1.00 0.00 C ATOM 850 O SER A 60 -1.330 -5.832 0.115 1.00 0.00 O ATOM 851 CB SER A 60 -1.046 -5.776 3.363 1.00 0.00 C ATOM 852 OG SER A 60 0.390 -5.750 3.428 1.00 0.00 O ATOM 0 H SER A 60 -3.546 -3.911 3.092 1.00 0.00 H new ATOM 0 HA SER A 60 -1.328 -3.717 2.636 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.449 -5.584 4.357 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.369 -6.776 3.076 1.00 0.00 H new ATOM 0 HG SER A 60 0.679 -5.924 4.348 1.00 0.00 H new ATOM 858 N ILE A 61 -0.225 -3.760 0.415 1.00 0.00 N ATOM 859 CA ILE A 61 0.400 -3.621 -1.013 1.00 0.00 C ATOM 860 C ILE A 61 1.782 -4.461 -1.106 1.00 0.00 C ATOM 861 O ILE A 61 2.701 -4.290 -0.254 1.00 0.00 O ATOM 862 CB ILE A 61 0.623 -2.006 -1.561 1.00 0.00 C ATOM 863 CG1 ILE A 61 -0.660 -1.047 -1.249 1.00 0.00 C ATOM 864 CG2 ILE A 61 0.906 -1.973 -3.166 1.00 0.00 C ATOM 865 CD1 ILE A 61 -0.395 0.498 -1.083 1.00 0.00 C ATOM 0 H ILE A 61 0.041 -2.999 1.040 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.340 -4.042 -1.694 1.00 0.00 H new ATOM 0 HB ILE A 61 1.483 -1.623 -1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.382 -1.179 -2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.133 -1.406 -0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.044 -0.941 -3.490 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.806 -2.547 -3.389 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.058 -2.409 -3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.336 1.009 -0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.293 0.662 -0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.041 0.893 -2.000 1.00 0.00 H new ATOM 877 N LEU A 62 1.840 -5.365 -2.201 1.00 0.00 N ATOM 878 CA LEU A 62 3.088 -6.103 -2.667 1.00 0.00 C ATOM 879 C LEU A 62 3.848 -5.353 -3.817 1.00 0.00 C ATOM 880 O LEU A 62 5.112 -5.285 -3.780 1.00 0.00 O ATOM 881 CB LEU A 62 2.847 -7.692 -2.996 1.00 0.00 C ATOM 882 CG LEU A 62 1.804 -8.197 -4.096 1.00 0.00 C ATOM 883 CD1 LEU A 62 2.192 -9.561 -4.534 1.00 0.00 C ATOM 884 CD2 LEU A 62 0.389 -8.280 -3.560 1.00 0.00 C ATOM 0 H LEU A 62 1.019 -5.585 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 62 3.752 -6.095 -1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.817 -8.102 -3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.561 -8.164 -2.056 1.00 0.00 H new ATOM 0 HG LEU A 62 1.825 -7.477 -4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.487 -9.916 -5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.194 -9.535 -4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.180 -10.235 -3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.279 -8.628 -4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.357 -8.978 -2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.069 -7.294 -3.223 1.00 0.00 H new ATOM 896 N PHE A 63 3.019 -4.795 -4.866 1.00 0.00 N ATOM 897 CA PHE A 63 3.567 -4.101 -6.133 1.00 0.00 C ATOM 898 C PHE A 63 2.863 -2.759 -6.451 1.00 0.00 C ATOM 899 O PHE A 63 1.612 -2.708 -6.492 1.00 0.00 O ATOM 900 CB PHE A 63 3.566 -5.121 -7.424 1.00 0.00 C ATOM 901 CG PHE A 63 4.634 -6.290 -7.395 1.00 0.00 C ATOM 902 CD1 PHE A 63 4.418 -7.463 -6.667 1.00 0.00 C ATOM 903 CD2 PHE A 63 5.819 -6.177 -8.079 1.00 0.00 C ATOM 904 CE1 PHE A 63 5.340 -8.476 -6.628 1.00 0.00 C ATOM 905 CE2 PHE A 63 6.755 -7.178 -8.062 1.00 0.00 C ATOM 906 CZ PHE A 63 6.522 -8.344 -7.337 1.00 0.00 C ATOM 0 H PHE A 63 2.000 -4.825 -4.835 1.00 0.00 H new ATOM 0 HA PHE A 63 4.603 -3.842 -5.916 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.574 -5.566 -7.508 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.729 -4.531 -8.326 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.495 -7.575 -6.118 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.018 -5.278 -8.644 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.147 -9.368 -6.050 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.677 -7.062 -8.613 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.255 -9.137 -7.328 1.00 0.00 H new ATOM 916 N VAL A 64 3.701 -1.612 -6.637 1.00 0.00 N ATOM 917 CA VAL A 64 3.112 -0.204 -6.963 1.00 0.00 C ATOM 918 C VAL A 64 3.643 0.361 -8.312 1.00 0.00 C ATOM 919 O VAL A 64 4.789 0.594 -8.419 1.00 0.00 O ATOM 920 CB VAL A 64 3.170 0.818 -5.668 1.00 0.00 C ATOM 921 CG1 VAL A 64 4.417 1.592 -5.196 1.00 0.00 C ATOM 922 CG2 VAL A 64 1.839 1.219 -5.086 1.00 0.00 C ATOM 0 H VAL A 64 4.719 -1.636 -6.571 1.00 0.00 H new ATOM 0 HA VAL A 64 2.043 -0.318 -7.142 1.00 0.00 H new ATOM 0 HB VAL A 64 3.748 0.032 -5.182 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.165 2.188 -4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.208 0.887 -4.940 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.761 2.249 -5.995 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.998 1.890 -4.242 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.247 1.727 -5.847 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.307 0.330 -4.747 1.00 0.00 H new ATOM 932 N ASN A 65 2.679 0.761 -9.263 1.00 0.00 N ATOM 933 CA ASN A 65 2.876 1.107 -10.836 1.00 0.00 C ATOM 934 C ASN A 65 2.990 -0.210 -11.804 1.00 0.00 C ATOM 935 O ASN A 65 2.938 -0.092 -13.070 1.00 0.00 O ATOM 936 CB ASN A 65 4.129 2.148 -11.221 1.00 0.00 C ATOM 937 CG ASN A 65 3.912 3.604 -10.822 1.00 0.00 C ATOM 938 OD1 ASN A 65 3.351 4.396 -11.587 1.00 0.00 O ATOM 939 ND2 ASN A 65 4.382 3.968 -9.655 1.00 0.00 N ATOM 0 H ASN A 65 1.702 0.866 -8.988 1.00 0.00 H new ATOM 0 HA ASN A 65 1.944 1.636 -11.035 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.039 1.788 -10.741 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.298 2.105 -12.297 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.291 4.937 -9.348 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.839 3.283 -9.053 1.00 0.00 H new ATOM 946 N GLU A 66 3.019 -1.492 -11.124 1.00 0.00 N ATOM 947 CA GLU A 66 3.530 -2.924 -11.593 1.00 0.00 C ATOM 948 C GLU A 66 5.164 -3.043 -11.277 1.00 0.00 C ATOM 949 O GLU A 66 5.903 -3.914 -11.832 1.00 0.00 O ATOM 950 CB GLU A 66 3.039 -3.394 -13.146 1.00 0.00 C ATOM 951 CG GLU A 66 3.111 -4.943 -13.575 1.00 0.00 C ATOM 952 CD GLU A 66 2.055 -5.897 -12.927 1.00 0.00 C ATOM 953 OE1 GLU A 66 0.955 -6.065 -13.513 1.00 0.00 O ATOM 954 OE2 GLU A 66 2.351 -6.479 -11.852 1.00 0.00 O ATOM 0 H GLU A 66 2.661 -1.551 -10.171 1.00 0.00 H new ATOM 0 HA GLU A 66 3.022 -3.683 -10.998 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.006 -3.070 -13.272 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.639 -2.831 -13.861 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.005 -5.002 -14.658 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.105 -5.319 -13.331 1.00 0.00 H new ATOM 961 N VAL A 67 5.618 -2.162 -10.224 1.00 0.00 N ATOM 962 CA VAL A 67 7.031 -1.947 -9.665 1.00 0.00 C ATOM 963 C VAL A 67 7.242 -2.797 -8.354 1.00 0.00 C ATOM 964 O VAL A 67 6.321 -2.867 -7.473 1.00 0.00 O ATOM 965 CB VAL A 67 7.330 -0.287 -9.488 1.00 0.00 C ATOM 966 CG1 VAL A 67 8.154 0.316 -8.267 1.00 0.00 C ATOM 967 CG2 VAL A 67 7.722 0.363 -10.770 1.00 0.00 C ATOM 0 H VAL A 67 4.947 -1.566 -9.739 1.00 0.00 H new ATOM 0 HA VAL A 67 7.780 -2.315 -10.366 1.00 0.00 H new ATOM 0 HB VAL A 67 6.327 -0.015 -9.160 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.215 1.400 -8.369 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.653 0.067 -7.332 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.159 -0.105 -8.263 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.902 1.425 -10.600 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.631 -0.102 -11.151 1.00 0.00 H new ATOM 0 HG23 VAL A 67 6.920 0.243 -11.499 1.00 0.00 H new ATOM 977 N ASP A 68 8.554 -3.278 -8.208 1.00 0.00 N ATOM 978 CA ASP A 68 9.054 -4.140 -7.093 1.00 0.00 C ATOM 979 C ASP A 68 9.455 -3.356 -5.766 1.00 0.00 C ATOM 980 O ASP A 68 10.594 -2.791 -5.649 1.00 0.00 O ATOM 981 CB ASP A 68 10.069 -5.345 -7.546 1.00 0.00 C ATOM 982 CG ASP A 68 11.386 -4.950 -8.312 1.00 0.00 C ATOM 983 OD1 ASP A 68 11.353 -4.884 -9.563 1.00 0.00 O ATOM 984 OD2 ASP A 68 12.422 -4.726 -7.644 1.00 0.00 O ATOM 0 H ASP A 68 9.284 -3.059 -8.886 1.00 0.00 H new ATOM 0 HA ASP A 68 8.167 -4.692 -6.781 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.356 -5.895 -6.650 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.509 -6.034 -8.178 1.00 0.00 H new ATOM 989 N VAL A 69 8.411 -3.284 -4.822 1.00 0.00 N ATOM 990 CA VAL A 69 8.522 -2.655 -3.401 1.00 0.00 C ATOM 991 C VAL A 69 8.957 -3.661 -2.227 1.00 0.00 C ATOM 992 O VAL A 69 9.317 -3.208 -1.115 1.00 0.00 O ATOM 993 CB VAL A 69 7.338 -1.577 -2.952 1.00 0.00 C ATOM 994 CG1 VAL A 69 7.337 -0.315 -3.740 1.00 0.00 C ATOM 995 CG2 VAL A 69 5.885 -2.115 -2.749 1.00 0.00 C ATOM 0 H VAL A 69 7.480 -3.653 -5.016 1.00 0.00 H new ATOM 0 HA VAL A 69 9.388 -2.010 -3.551 1.00 0.00 H new ATOM 0 HB VAL A 69 7.669 -1.358 -1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.536 0.334 -3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.295 0.191 -3.618 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.179 -0.544 -4.794 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.230 -1.294 -2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.526 -2.553 -3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.884 -2.874 -1.967 1.00 0.00 H new ATOM 1005 N ARG A 70 9.007 -5.044 -2.574 1.00 0.00 N ATOM 1006 CA ARG A 70 9.398 -6.281 -1.645 1.00 0.00 C ATOM 1007 C ARG A 70 10.740 -6.128 -0.723 1.00 0.00 C ATOM 1008 O ARG A 70 10.825 -6.755 0.377 1.00 0.00 O ATOM 1009 CB ARG A 70 9.441 -7.639 -2.477 1.00 0.00 C ATOM 1010 CG ARG A 70 8.079 -8.289 -2.824 1.00 0.00 C ATOM 1011 CD ARG A 70 8.270 -9.616 -3.562 1.00 0.00 C ATOM 1012 NE ARG A 70 6.952 -10.311 -3.869 1.00 0.00 N ATOM 1013 CZ ARG A 70 6.708 -11.589 -4.446 1.00 0.00 C ATOM 1014 NH1 ARG A 70 7.695 -12.458 -4.844 1.00 0.00 N ATOM 1015 NH2 ARG A 70 5.448 -11.970 -4.610 1.00 0.00 N ATOM 0 H ARG A 70 8.775 -5.350 -3.519 1.00 0.00 H new ATOM 0 HA ARG A 70 8.587 -6.303 -0.917 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.974 -7.450 -3.409 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.030 -8.364 -1.914 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.510 -8.457 -1.910 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.495 -7.607 -3.442 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.806 -9.435 -4.493 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.893 -10.277 -2.959 1.00 0.00 H new ATOM 0 HE ARG A 70 6.116 -9.780 -3.624 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.676 -12.201 -4.733 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.447 -13.360 -5.251 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.687 -11.353 -4.325 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.240 -12.880 -5.021 1.00 0.00 H new ATOM 1029 N GLU A 71 11.758 -5.210 -1.213 1.00 0.00 N ATOM 1030 CA GLU A 71 13.072 -4.804 -0.590 1.00 0.00 C ATOM 1031 C GLU A 71 13.449 -3.334 -1.093 1.00 0.00 C ATOM 1032 O GLU A 71 14.198 -3.123 -2.131 1.00 0.00 O ATOM 1033 CB GLU A 71 14.261 -5.851 -0.826 1.00 0.00 C ATOM 1034 CG GLU A 71 14.388 -7.030 0.198 1.00 0.00 C ATOM 1035 CD GLU A 71 15.553 -8.009 -0.084 1.00 0.00 C ATOM 1036 OE1 GLU A 71 15.335 -9.016 -0.813 1.00 0.00 O ATOM 1037 OE2 GLU A 71 16.674 -7.785 0.449 1.00 0.00 O ATOM 0 H GLU A 71 11.624 -4.736 -2.106 1.00 0.00 H new ATOM 0 HA GLU A 71 12.939 -4.800 0.492 1.00 0.00 H new ATOM 0 HB2 GLU A 71 14.142 -6.279 -1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 71 15.202 -5.300 -0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.515 -6.613 1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.453 -7.591 0.203 1.00 0.00 H new ATOM 1044 N VAL A 72 12.774 -2.303 -0.403 1.00 0.00 N ATOM 1045 CA VAL A 72 12.940 -0.773 -0.611 1.00 0.00 C ATOM 1046 C VAL A 72 12.818 -0.002 0.796 1.00 0.00 C ATOM 1047 O VAL A 72 12.195 -0.537 1.730 1.00 0.00 O ATOM 1048 CB VAL A 72 11.906 -0.054 -1.813 1.00 0.00 C ATOM 1049 CG1 VAL A 72 11.980 -0.654 -3.222 1.00 0.00 C ATOM 1050 CG2 VAL A 72 10.397 0.275 -1.418 1.00 0.00 C ATOM 0 H VAL A 72 12.090 -2.515 0.323 1.00 0.00 H new ATOM 0 HA VAL A 72 13.943 -0.653 -1.021 1.00 0.00 H new ATOM 0 HB VAL A 72 12.400 0.917 -1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.292 -0.123 -3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.996 -0.558 -3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.705 -1.708 -3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.885 0.718 -2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.888 -0.644 -1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.384 0.977 -0.584 1.00 0.00 H new ATOM 1060 N THR A 73 13.326 1.321 0.832 1.00 0.00 N ATOM 1061 CA THR A 73 13.085 2.386 1.968 1.00 0.00 C ATOM 1062 C THR A 73 11.618 3.049 1.860 1.00 0.00 C ATOM 1063 O THR A 73 10.953 2.895 0.791 1.00 0.00 O ATOM 1064 CB THR A 73 14.209 3.554 2.007 1.00 0.00 C ATOM 1065 OG1 THR A 73 14.638 4.008 0.708 1.00 0.00 O ATOM 1066 CG2 THR A 73 15.392 3.212 2.877 1.00 0.00 C ATOM 0 H THR A 73 13.913 1.686 0.082 1.00 0.00 H new ATOM 0 HA THR A 73 13.162 1.829 2.902 1.00 0.00 H new ATOM 0 HB THR A 73 13.692 4.394 2.470 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.313 4.711 0.814 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.107 4.035 2.859 1.00 0.00 H new ATOM 0 HG22 THR A 73 15.055 3.046 3.900 1.00 0.00 H new ATOM 0 HG23 THR A 73 15.871 2.308 2.501 1.00 0.00 H new ATOM 1074 N HIS A 74 11.107 3.784 3.002 1.00 0.00 N ATOM 1075 CA HIS A 74 9.717 4.562 3.036 1.00 0.00 C ATOM 1076 C HIS A 74 9.516 5.627 1.838 1.00 0.00 C ATOM 1077 O HIS A 74 8.584 5.463 0.976 1.00 0.00 O ATOM 1078 CB HIS A 74 9.287 5.132 4.510 1.00 0.00 C ATOM 1079 CG HIS A 74 10.049 6.346 5.214 1.00 0.00 C ATOM 1080 ND1 HIS A 74 10.888 6.199 6.310 1.00 0.00 N ATOM 1081 CD2 HIS A 74 9.960 7.708 5.018 1.00 0.00 C ATOM 1082 CE1 HIS A 74 11.270 7.410 6.754 1.00 0.00 C ATOM 1083 NE2 HIS A 74 10.722 8.324 5.982 1.00 0.00 N ATOM 0 H HIS A 74 11.620 3.851 3.881 1.00 0.00 H new ATOM 0 HA HIS A 74 8.986 3.780 2.830 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.238 5.420 4.439 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.340 4.289 5.199 1.00 0.00 H new ATOM 0 HD2 HIS A 74 9.392 8.203 4.244 1.00 0.00 H new ATOM 0 HE1 HIS A 74 11.916 7.600 7.599 1.00 0.00 H new ATOM 0 HE2 HIS A 74 10.844 9.332 6.083 1.00 0.00 H new ATOM 1092 N SER A 75 10.596 6.566 1.702 1.00 0.00 N ATOM 1093 CA SER A 75 10.750 7.681 0.606 1.00 0.00 C ATOM 1094 C SER A 75 10.770 7.113 -0.907 1.00 0.00 C ATOM 1095 O SER A 75 10.106 7.692 -1.794 1.00 0.00 O ATOM 1096 CB SER A 75 11.995 8.603 0.896 1.00 0.00 C ATOM 1097 OG SER A 75 11.847 9.337 2.110 1.00 0.00 O ATOM 0 H SER A 75 11.381 6.565 2.354 1.00 0.00 H new ATOM 0 HA SER A 75 9.849 8.290 0.676 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.895 7.990 0.951 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.132 9.298 0.067 1.00 0.00 H new ATOM 0 HG SER A 75 12.640 9.894 2.254 1.00 0.00 H new ATOM 1103 N ALA A 76 11.413 5.820 -1.080 1.00 0.00 N ATOM 1104 CA ALA A 76 11.514 4.960 -2.349 1.00 0.00 C ATOM 1105 C ALA A 76 10.108 4.285 -2.806 1.00 0.00 C ATOM 1106 O ALA A 76 9.925 3.977 -4.028 1.00 0.00 O ATOM 1107 CB ALA A 76 12.600 3.888 -2.123 1.00 0.00 C ATOM 0 H ALA A 76 11.878 5.367 -0.293 1.00 0.00 H new ATOM 0 HA ALA A 76 11.785 5.618 -3.175 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.688 3.266 -3.014 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.555 4.374 -1.924 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.325 3.266 -1.271 1.00 0.00 H new ATOM 1113 N ALA A 77 9.098 4.123 -1.763 1.00 0.00 N ATOM 1114 CA ALA A 77 7.659 3.639 -1.952 1.00 0.00 C ATOM 1115 C ALA A 77 6.645 4.844 -2.226 1.00 0.00 C ATOM 1116 O ALA A 77 5.737 4.693 -3.076 1.00 0.00 O ATOM 1117 CB ALA A 77 7.213 2.771 -0.741 1.00 0.00 C ATOM 0 H ALA A 77 9.304 4.336 -0.787 1.00 0.00 H new ATOM 0 HA ALA A 77 7.635 3.014 -2.844 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.187 2.435 -0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.869 1.905 -0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.270 3.364 0.172 1.00 0.00 H new ATOM 1123 N VAL A 78 6.905 6.086 -1.526 1.00 0.00 N ATOM 1124 CA VAL A 78 6.101 7.453 -1.635 1.00 0.00 C ATOM 1125 C VAL A 78 6.341 8.186 -3.072 1.00 0.00 C ATOM 1126 O VAL A 78 5.373 8.679 -3.652 1.00 0.00 O ATOM 1127 CB VAL A 78 6.391 8.469 -0.301 1.00 0.00 C ATOM 1128 CG1 VAL A 78 5.598 9.814 -0.257 1.00 0.00 C ATOM 1129 CG2 VAL A 78 6.034 7.789 0.994 1.00 0.00 C ATOM 0 H VAL A 78 7.682 6.162 -0.869 1.00 0.00 H new ATOM 0 HA VAL A 78 5.039 7.212 -1.598 1.00 0.00 H new ATOM 0 HB VAL A 78 7.452 8.687 -0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.872 10.369 0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.840 10.408 -1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.528 9.605 -0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.231 8.465 1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.977 7.522 0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.635 6.887 1.109 1.00 0.00 H new ATOM 1139 N GLU A 79 7.664 8.165 -3.599 1.00 0.00 N ATOM 1140 CA GLU A 79 8.173 8.742 -4.998 1.00 0.00 C ATOM 1141 C GLU A 79 7.556 8.020 -6.298 1.00 0.00 C ATOM 1142 O GLU A 79 7.624 8.555 -7.431 1.00 0.00 O ATOM 1143 CB GLU A 79 9.737 8.753 -5.081 1.00 0.00 C ATOM 1144 CG GLU A 79 10.429 9.845 -4.222 1.00 0.00 C ATOM 1145 CD GLU A 79 11.971 9.907 -4.342 1.00 0.00 C ATOM 1146 OE1 GLU A 79 12.480 10.661 -5.217 1.00 0.00 O ATOM 1147 OE2 GLU A 79 12.669 9.227 -3.540 1.00 0.00 O ATOM 0 H GLU A 79 8.428 7.745 -3.070 1.00 0.00 H new ATOM 0 HA GLU A 79 7.795 9.764 -5.018 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.110 7.777 -4.771 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.030 8.890 -6.122 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.021 10.816 -4.502 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.169 9.679 -3.176 1.00 0.00 H new ATOM 1154 N ALA A 80 6.953 6.765 -6.056 1.00 0.00 N ATOM 1155 CA ALA A 80 6.074 5.987 -7.005 1.00 0.00 C ATOM 1156 C ALA A 80 4.526 6.509 -6.991 1.00 0.00 C ATOM 1157 O ALA A 80 3.848 6.457 -8.051 1.00 0.00 O ATOM 1158 CB ALA A 80 6.204 4.470 -6.696 1.00 0.00 C ATOM 0 H ALA A 80 7.083 6.277 -5.170 1.00 0.00 H new ATOM 0 HA ALA A 80 6.417 6.160 -8.025 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.571 3.904 -7.379 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.241 4.161 -6.822 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.891 4.280 -5.669 1.00 0.00 H new ATOM 1164 N LEU A 81 4.030 7.085 -5.746 1.00 0.00 N ATOM 1165 CA LEU A 81 2.602 7.645 -5.499 1.00 0.00 C ATOM 1166 C LEU A 81 2.402 9.207 -5.758 1.00 0.00 C ATOM 1167 O LEU A 81 1.293 9.635 -6.200 1.00 0.00 O ATOM 1168 CB LEU A 81 2.032 7.169 -4.077 1.00 0.00 C ATOM 1169 CG LEU A 81 1.911 5.624 -3.830 1.00 0.00 C ATOM 1170 CD1 LEU A 81 2.479 5.251 -2.506 1.00 0.00 C ATOM 1171 CD2 LEU A 81 0.492 5.092 -3.992 1.00 0.00 C ATOM 0 H LEU A 81 4.622 7.159 -4.919 1.00 0.00 H new ATOM 0 HA LEU A 81 1.993 7.198 -6.284 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.673 7.585 -3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.044 7.610 -3.945 1.00 0.00 H new ATOM 0 HG LEU A 81 2.500 5.144 -4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.383 4.175 -2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.532 5.530 -2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.938 5.775 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.483 4.018 -3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.166 5.589 -3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.143 5.288 -5.006 1.00 0.00 H new ATOM 1183 N LYS A 82 3.515 10.032 -5.476 1.00 0.00 N ATOM 1184 CA LYS A 82 3.632 11.546 -5.687 1.00 0.00 C ATOM 1185 C LYS A 82 4.118 11.960 -7.153 1.00 0.00 C ATOM 1186 O LYS A 82 3.565 12.943 -7.727 1.00 0.00 O ATOM 1187 CB LYS A 82 4.545 12.227 -4.563 1.00 0.00 C ATOM 1188 CG LYS A 82 3.847 12.617 -3.226 1.00 0.00 C ATOM 1189 CD LYS A 82 4.829 13.413 -2.307 1.00 0.00 C ATOM 1190 CE LYS A 82 4.182 14.050 -1.029 1.00 0.00 C ATOM 1191 NZ LYS A 82 3.912 13.082 0.097 1.00 0.00 N ATOM 0 H LYS A 82 4.372 9.640 -5.086 1.00 0.00 H new ATOM 0 HA LYS A 82 2.617 11.931 -5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.363 11.545 -4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.991 13.127 -4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.963 13.221 -3.433 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.506 11.719 -2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.630 12.744 -1.993 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.289 14.207 -2.896 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.839 14.838 -0.661 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.243 14.525 -1.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.154 13.456 0.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.620 12.165 -0.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.776 12.957 0.662 1.00 0.00 H new ATOM 1205 N GLU A 83 5.146 11.151 -7.746 1.00 0.00 N ATOM 1206 CA GLU A 83 5.836 11.435 -9.139 1.00 0.00 C ATOM 1207 C GLU A 83 5.239 10.802 -10.456 1.00 0.00 C ATOM 1208 O GLU A 83 5.612 11.276 -11.607 1.00 0.00 O ATOM 1209 CB GLU A 83 7.362 11.268 -9.080 1.00 0.00 C ATOM 1210 CG GLU A 83 8.040 12.412 -8.340 1.00 0.00 C ATOM 1211 CD GLU A 83 9.593 12.408 -8.353 1.00 0.00 C ATOM 1212 OE1 GLU A 83 10.192 13.024 -9.278 1.00 0.00 O ATOM 1213 OE2 GLU A 83 10.205 11.818 -7.419 1.00 0.00 O ATOM 0 H GLU A 83 5.508 10.313 -7.290 1.00 0.00 H new ATOM 0 HA GLU A 83 5.565 12.483 -9.269 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.603 10.326 -8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.758 11.208 -10.094 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.696 13.352 -8.772 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.705 12.396 -7.303 1.00 0.00 H new ATOM 1220 N ALA A 84 4.235 9.782 -10.326 1.00 0.00 N ATOM 1221 CA ALA A 84 3.506 9.078 -11.561 1.00 0.00 C ATOM 1222 C ALA A 84 2.713 10.087 -12.576 1.00 0.00 C ATOM 1223 O ALA A 84 2.516 9.764 -13.796 1.00 0.00 O ATOM 1224 CB ALA A 84 2.652 7.890 -11.110 1.00 0.00 C ATOM 0 H ALA A 84 3.917 9.435 -9.421 1.00 0.00 H new ATOM 0 HA ALA A 84 4.316 8.689 -12.179 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.172 7.437 -11.977 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.286 7.152 -10.619 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.889 8.235 -10.412 1.00 0.00 H new ATOM 1230 N GLY A 85 2.319 11.318 -11.981 1.00 0.00 N ATOM 1231 CA GLY A 85 1.886 12.560 -12.707 1.00 0.00 C ATOM 1232 C GLY A 85 0.437 13.014 -12.623 1.00 0.00 C ATOM 1233 O GLY A 85 0.190 14.244 -12.596 1.00 0.00 O ATOM 0 H GLY A 85 2.305 11.440 -10.968 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.506 13.381 -12.347 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.123 12.420 -13.762 1.00 0.00 H new ATOM 1237 N SER A 86 -0.542 11.996 -12.556 1.00 0.00 N ATOM 1238 CA SER A 86 -2.101 12.120 -12.619 1.00 0.00 C ATOM 1239 C SER A 86 -2.808 10.742 -12.304 1.00 0.00 C ATOM 1240 O SER A 86 -3.908 10.749 -11.709 1.00 0.00 O ATOM 1241 CB SER A 86 -2.611 12.622 -14.048 1.00 0.00 C ATOM 1242 OG SER A 86 -2.396 14.013 -14.257 1.00 0.00 O ATOM 0 H SER A 86 -0.260 11.021 -12.452 1.00 0.00 H new ATOM 0 HA SER A 86 -2.367 12.857 -11.861 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.099 12.059 -14.829 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.675 12.406 -14.145 1.00 0.00 H new ATOM 0 HG SER A 86 -1.567 14.286 -13.812 1.00 0.00 H new ATOM 1248 N ILE A 87 -2.137 9.545 -12.748 1.00 0.00 N ATOM 1249 CA ILE A 87 -2.662 8.116 -12.618 1.00 0.00 C ATOM 1250 C ILE A 87 -1.596 7.235 -11.858 1.00 0.00 C ATOM 1251 O ILE A 87 -0.411 7.113 -12.286 1.00 0.00 O ATOM 1252 CB ILE A 87 -3.187 7.408 -14.109 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -4.168 8.366 -15.054 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -3.768 5.900 -14.007 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -5.553 8.938 -14.507 1.00 0.00 C ATOM 0 H ILE A 87 -1.223 9.581 -13.200 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.576 8.157 -12.025 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.235 7.330 -14.635 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.571 9.224 -15.362 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -4.395 7.796 -15.955 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.066 5.557 -14.998 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.997 5.239 -13.611 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.632 5.887 -13.343 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.031 9.536 -15.283 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.206 8.109 -14.233 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.369 9.560 -13.631 1.00 0.00 H new ATOM 1267 N VAL A 88 -2.132 6.607 -10.759 1.00 0.00 N ATOM 1268 CA VAL A 88 -1.431 5.620 -9.811 1.00 0.00 C ATOM 1269 C VAL A 88 -2.189 4.212 -9.724 1.00 0.00 C ATOM 1270 O VAL A 88 -3.405 4.167 -9.362 1.00 0.00 O ATOM 1271 CB VAL A 88 -0.949 6.215 -8.313 1.00 0.00 C ATOM 1272 CG1 VAL A 88 0.190 7.245 -8.408 1.00 0.00 C ATOM 1273 CG2 VAL A 88 -2.070 6.797 -7.372 1.00 0.00 C ATOM 0 H VAL A 88 -3.101 6.769 -10.483 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.473 5.446 -10.300 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.603 5.297 -7.838 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.454 7.589 -7.408 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.060 6.783 -8.874 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.136 8.094 -9.010 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.620 7.144 -6.442 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.566 7.631 -7.869 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.801 6.019 -7.153 1.00 0.00 H new ATOM 1283 N ARG A 89 -1.415 3.094 -10.080 1.00 0.00 N ATOM 1284 CA ARG A 89 -1.900 1.623 -10.117 1.00 0.00 C ATOM 1285 C ARG A 89 -1.218 0.677 -9.027 1.00 0.00 C ATOM 1286 O ARG A 89 -0.094 0.161 -9.225 1.00 0.00 O ATOM 1287 CB ARG A 89 -2.011 0.970 -11.642 1.00 0.00 C ATOM 1288 CG ARG A 89 -0.791 0.987 -12.596 1.00 0.00 C ATOM 1289 CD ARG A 89 -1.179 0.265 -13.850 1.00 0.00 C ATOM 1290 NE ARG A 89 -0.039 0.164 -14.857 1.00 0.00 N ATOM 1291 CZ ARG A 89 0.017 -0.511 -16.108 1.00 0.00 C ATOM 1292 NH1 ARG A 89 -1.018 -1.241 -16.640 1.00 0.00 N ATOM 1293 NH2 ARG A 89 1.140 -0.433 -16.809 1.00 0.00 N ATOM 0 H ARG A 89 -0.436 3.185 -10.350 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.939 1.678 -9.792 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.313 -0.071 -11.525 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.826 1.483 -12.153 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.497 2.012 -12.821 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.067 0.505 -12.127 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.520 -0.738 -13.594 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.021 0.780 -14.313 1.00 0.00 H new ATOM 0 HE ARG A 89 0.815 0.656 -14.593 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.898 -1.325 -16.131 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.907 -1.699 -17.544 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.931 0.100 -16.447 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.213 -0.906 -17.710 1.00 0.00 H new ATOM 1307 N LEU A 90 -1.993 0.461 -7.876 1.00 0.00 N ATOM 1308 CA LEU A 90 -1.631 -0.384 -6.657 1.00 0.00 C ATOM 1309 C LEU A 90 -2.161 -1.882 -6.739 1.00 0.00 C ATOM 1310 O LEU A 90 -3.333 -2.127 -7.164 1.00 0.00 O ATOM 1311 CB LEU A 90 -2.052 0.390 -5.222 1.00 0.00 C ATOM 1312 CG LEU A 90 -3.545 0.818 -4.762 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -4.377 1.698 -5.657 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -4.291 -0.306 -4.131 1.00 0.00 C ATOM 0 H LEU A 90 -2.914 0.888 -7.777 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.545 -0.479 -6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.672 -0.248 -4.424 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.466 1.309 -5.203 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.322 1.555 -3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.345 1.881 -5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.864 2.647 -5.813 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.526 1.204 -6.617 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.285 0.034 -3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.381 -1.127 -4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.753 -0.649 -3.247 1.00 0.00 H new ATOM 1326 N TYR A 91 -1.235 -2.859 -6.314 1.00 0.00 N ATOM 1327 CA TYR A 91 -1.460 -4.352 -6.276 1.00 0.00 C ATOM 1328 C TYR A 91 -1.362 -4.901 -4.813 1.00 0.00 C ATOM 1329 O TYR A 91 -0.221 -4.949 -4.195 1.00 0.00 O ATOM 1330 CB TYR A 91 -0.477 -5.133 -7.329 1.00 0.00 C ATOM 1331 CG TYR A 91 -0.805 -6.638 -7.732 1.00 0.00 C ATOM 1332 CD1 TYR A 91 -2.048 -7.029 -8.274 1.00 0.00 C ATOM 1333 CD2 TYR A 91 0.146 -7.619 -7.542 1.00 0.00 C ATOM 1334 CE1 TYR A 91 -2.314 -8.307 -8.601 1.00 0.00 C ATOM 1335 CE2 TYR A 91 -0.100 -8.925 -7.867 1.00 0.00 C ATOM 1336 CZ TYR A 91 -1.335 -9.280 -8.402 1.00 0.00 C ATOM 1337 OH TYR A 91 -1.583 -10.589 -8.749 1.00 0.00 O ATOM 0 H TYR A 91 -0.303 -2.603 -5.988 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.478 -4.554 -6.610 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -0.449 -4.547 -8.247 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.529 -5.118 -6.910 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -2.809 -6.279 -8.431 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.106 -7.350 -7.127 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.275 -8.576 -9.013 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.660 -9.676 -7.709 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.796 -11.136 -8.545 1.00 0.00 H new ATOM 1347 N VAL A 92 -2.601 -5.360 -4.337 1.00 0.00 N ATOM 1348 CA VAL A 92 -2.919 -5.867 -2.896 1.00 0.00 C ATOM 1349 C VAL A 92 -3.129 -7.502 -2.747 1.00 0.00 C ATOM 1350 O VAL A 92 -3.495 -8.202 -3.749 1.00 0.00 O ATOM 1351 CB VAL A 92 -4.157 -4.997 -2.145 1.00 0.00 C ATOM 1352 CG1 VAL A 92 -3.861 -3.492 -1.971 1.00 0.00 C ATOM 1353 CG2 VAL A 92 -5.573 -5.214 -2.770 1.00 0.00 C ATOM 0 H VAL A 92 -3.422 -5.392 -4.942 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.999 -5.660 -2.350 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.182 -5.435 -1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.707 -3.009 -1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.967 -3.365 -1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.700 -3.037 -2.949 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.306 -4.618 -2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.560 -4.907 -3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.842 -6.268 -2.704 1.00 0.00 H new ATOM 1363 N MET A 93 -2.968 -7.991 -1.418 1.00 0.00 N ATOM 1364 CA MET A 93 -3.012 -9.479 -0.933 1.00 0.00 C ATOM 1365 C MET A 93 -4.108 -9.765 0.204 1.00 0.00 C ATOM 1366 O MET A 93 -4.041 -9.195 1.332 1.00 0.00 O ATOM 1367 CB MET A 93 -1.500 -10.110 -0.618 1.00 0.00 C ATOM 1368 CG MET A 93 -0.524 -9.425 0.485 1.00 0.00 C ATOM 1369 SD MET A 93 -0.992 -9.604 2.268 1.00 0.00 S ATOM 1370 CE MET A 93 -0.487 -11.294 2.720 1.00 0.00 C ATOM 0 H MET A 93 -2.801 -7.350 -0.642 1.00 0.00 H new ATOM 0 HA MET A 93 -3.377 -10.051 -1.786 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.643 -11.148 -0.318 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.956 -10.123 -1.562 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.475 -9.842 0.356 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.457 -8.361 0.260 1.00 0.00 H new ATOM 0 HE1 MET A 93 -0.731 -11.479 3.766 1.00 0.00 H new ATOM 0 HE2 MET A 93 -1.014 -12.012 2.092 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.587 -11.404 2.573 1.00 0.00 H new ATOM 1380 N ARG A 94 -5.130 -10.663 -0.172 1.00 0.00 N ATOM 1381 CA ARG A 94 -6.312 -11.156 0.670 1.00 0.00 C ATOM 1382 C ARG A 94 -6.339 -12.762 0.756 1.00 0.00 C ATOM 1383 O ARG A 94 -5.637 -13.468 -0.035 1.00 0.00 O ATOM 1384 CB ARG A 94 -7.736 -10.576 0.122 1.00 0.00 C ATOM 1385 CG ARG A 94 -8.106 -9.131 0.520 1.00 0.00 C ATOM 1386 CD ARG A 94 -9.523 -8.788 0.044 1.00 0.00 C ATOM 1387 NE ARG A 94 -9.986 -7.414 0.501 1.00 0.00 N ATOM 1388 CZ ARG A 94 -11.295 -6.852 0.511 1.00 0.00 C ATOM 1389 NH1 ARG A 94 -12.424 -7.514 0.093 1.00 0.00 N ATOM 1390 NH2 ARG A 94 -11.440 -5.612 0.958 1.00 0.00 N ATOM 0 H ARG A 94 -5.144 -11.072 -1.106 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.169 -10.766 1.678 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.730 -10.636 -0.966 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.528 -11.237 0.473 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.042 -9.018 1.602 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.391 -8.433 0.084 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.556 -8.833 -1.045 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -10.218 -9.542 0.415 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.249 -6.803 0.853 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.355 -8.471 -0.253 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.331 -7.048 0.128 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.627 -5.088 1.282 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.365 -5.182 0.978 1.00 0.00 H new ATOM 1404 N ARG A 95 -7.176 -13.304 1.770 1.00 0.00 N ATOM 1405 CA ARG A 95 -7.465 -14.777 2.058 1.00 0.00 C ATOM 1406 C ARG A 95 -8.778 -15.269 1.212 1.00 0.00 C ATOM 1407 O ARG A 95 -9.739 -14.470 0.975 1.00 0.00 O ATOM 1408 CB ARG A 95 -7.622 -14.974 3.652 1.00 0.00 C ATOM 1409 CG ARG A 95 -7.307 -16.395 4.228 1.00 0.00 C ATOM 1410 CD ARG A 95 -7.551 -16.450 5.729 1.00 0.00 C ATOM 1411 NE ARG A 95 -7.225 -17.815 6.322 1.00 0.00 N ATOM 1412 CZ ARG A 95 -7.266 -18.251 7.676 1.00 0.00 C ATOM 1413 NH1 ARG A 95 -7.629 -17.457 8.735 1.00 0.00 N ATOM 1414 NH2 ARG A 95 -6.930 -19.509 7.936 1.00 0.00 N ATOM 0 H ARG A 95 -7.673 -12.693 2.418 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.639 -15.407 1.729 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.969 -14.255 4.148 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.645 -14.717 3.926 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.929 -17.138 3.729 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -6.270 -16.654 4.016 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -6.945 -15.689 6.221 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.594 -16.208 5.934 1.00 0.00 H new ATOM 0 HE ARG A 95 -6.934 -18.522 5.647 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.893 -16.485 8.576 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.635 -17.839 9.681 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -6.653 -20.130 7.176 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -6.949 -19.854 8.896 1.00 0.00 H new ATOM 1428 N LYS A 96 -8.741 -16.618 0.796 1.00 0.00 N ATOM 1429 CA LYS A 96 -9.767 -17.392 -0.105 1.00 0.00 C ATOM 1430 C LYS A 96 -11.375 -17.417 0.377 1.00 0.00 C ATOM 1431 O LYS A 96 -11.642 -17.912 1.513 1.00 0.00 O ATOM 1432 CB LYS A 96 -9.211 -18.861 -0.550 1.00 0.00 C ATOM 1433 CG LYS A 96 -8.710 -19.863 0.579 1.00 0.00 C ATOM 1434 CD LYS A 96 -8.277 -21.234 0.003 1.00 0.00 C ATOM 1435 CE LYS A 96 -7.767 -22.258 1.075 1.00 0.00 C ATOM 1436 NZ LYS A 96 -8.859 -22.890 1.926 1.00 0.00 N ATOM 0 H LYS A 96 -7.974 -17.225 1.084 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.822 -16.758 -0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -10.005 -19.360 -1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -8.385 -18.705 -1.244 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.872 -19.415 1.112 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.507 -20.013 1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.121 -21.674 -0.528 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.488 -21.072 -0.731 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.218 -23.051 0.567 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.061 -21.752 1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.431 -23.551 2.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.371 -22.146 2.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.523 -23.405 1.313 1.00 0.00 H new ATOM 1450 N PRO A 97 -12.482 -16.805 -0.517 1.00 0.00 N ATOM 1451 CA PRO A 97 -14.002 -16.897 -0.198 1.00 0.00 C ATOM 1452 C PRO A 97 -14.776 -18.329 -0.623 1.00 0.00 C ATOM 1453 O PRO A 97 -14.269 -19.004 -1.570 1.00 0.00 O ATOM 1454 CB PRO A 97 -14.617 -15.671 -0.992 1.00 0.00 C ATOM 1455 CG PRO A 97 -13.453 -14.892 -1.575 1.00 0.00 C ATOM 1456 CD PRO A 97 -12.327 -15.881 -1.756 1.00 0.00 C ATOM 0 HA PRO A 97 -14.147 -16.876 0.882 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -15.283 -16.018 -1.782 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -15.210 -15.041 -0.329 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -13.728 -14.438 -2.527 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.155 -14.082 -0.909 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -12.422 -16.436 -2.689 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -11.355 -15.389 -1.775 1.00 0.00 H new ATOM 1464 N PRO A 98 -16.041 -18.831 0.120 1.00 0.00 N ATOM 1465 CA PRO A 98 -16.862 -20.093 -0.312 1.00 0.00 C ATOM 1466 C PRO A 98 -17.723 -19.957 -1.693 1.00 0.00 C ATOM 1467 O PRO A 98 -18.306 -18.858 -1.982 1.00 0.00 O ATOM 1468 CB PRO A 98 -17.800 -20.362 0.936 1.00 0.00 C ATOM 1469 CG PRO A 98 -17.233 -19.545 2.071 1.00 0.00 C ATOM 1470 CD PRO A 98 -16.660 -18.300 1.441 1.00 0.00 C ATOM 0 HA PRO A 98 -16.185 -20.911 -0.560 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -18.828 -20.069 0.721 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -17.817 -21.422 1.189 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -18.007 -19.294 2.796 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -16.463 -20.101 2.606 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -17.430 -17.551 1.254 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -15.910 -17.833 2.079 1.00 0.00 H new ATOM 1478 N ALA A 99 -17.727 -21.122 -2.529 1.00 0.00 N ATOM 1479 CA ALA A 99 -18.449 -21.273 -3.870 1.00 0.00 C ATOM 1480 C ALA A 99 -19.723 -22.215 -3.787 1.00 0.00 C ATOM 1481 O ALA A 99 -20.845 -21.677 -3.925 1.00 0.00 O ATOM 1482 CB ALA A 99 -17.457 -21.673 -5.027 1.00 0.00 C ATOM 1483 OXT ALA A 99 -19.587 -23.458 -3.518 1.00 0.00 O ATOM 0 H ALA A 99 -17.221 -21.968 -2.267 1.00 0.00 H new ATOM 0 HA ALA A 99 -18.841 -20.289 -4.125 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -18.009 -21.770 -5.962 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -16.694 -20.902 -5.135 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -16.981 -22.624 -4.786 1.00 0.00 H new TER 1489 ALA A 99 ATOM 1490 N VAL B 1 8.222 -3.581 20.660 1.00 0.00 N ATOM 1491 CA VAL B 1 8.020 -2.587 19.516 1.00 0.00 C ATOM 1492 C VAL B 1 8.909 -1.306 19.595 1.00 0.00 C ATOM 1493 O VAL B 1 8.868 -0.547 20.609 1.00 0.00 O ATOM 1494 CB VAL B 1 6.454 -2.307 18.995 1.00 0.00 C ATOM 1495 CG1 VAL B 1 5.904 -3.488 18.161 1.00 0.00 C ATOM 1496 CG2 VAL B 1 5.404 -1.926 20.121 1.00 0.00 C ATOM 0 H1 VAL B 1 7.593 -4.398 20.525 1.00 0.00 H new ATOM 0 H2 VAL B 1 9.211 -3.903 20.669 1.00 0.00 H new ATOM 0 H3 VAL B 1 8.000 -3.119 21.565 1.00 0.00 H new ATOM 0 HA VAL B 1 8.420 -3.164 18.682 1.00 0.00 H new ATOM 0 HB VAL B 1 6.560 -1.417 18.374 1.00 0.00 H new ATOM 0 HG11 VAL B 1 4.886 -3.266 17.843 1.00 0.00 H new ATOM 0 HG12 VAL B 1 6.534 -3.638 17.284 1.00 0.00 H new ATOM 0 HG13 VAL B 1 5.905 -4.393 18.768 1.00 0.00 H new ATOM 0 HG21 VAL B 1 4.426 -1.768 19.668 1.00 0.00 H new ATOM 0 HG22 VAL B 1 5.340 -2.736 20.848 1.00 0.00 H new ATOM 0 HG23 VAL B 1 5.724 -1.012 20.622 1.00 0.00 H new ATOM 1508 N VAL B 2 9.734 -1.113 18.458 1.00 0.00 N ATOM 1509 CA VAL B 2 10.699 0.061 18.186 1.00 0.00 C ATOM 1510 C VAL B 2 9.944 1.328 17.481 1.00 0.00 C ATOM 1511 O VAL B 2 10.125 2.483 17.925 1.00 0.00 O ATOM 1512 CB VAL B 2 12.147 -0.460 17.493 1.00 0.00 C ATOM 1513 CG1 VAL B 2 12.107 -1.027 16.029 1.00 0.00 C ATOM 1514 CG2 VAL B 2 13.367 0.490 17.717 1.00 0.00 C ATOM 0 H VAL B 2 9.740 -1.789 17.694 1.00 0.00 H new ATOM 0 HA VAL B 2 11.026 0.481 19.137 1.00 0.00 H new ATOM 0 HB VAL B 2 12.311 -1.351 18.099 1.00 0.00 H new ATOM 0 HG11 VAL B 2 13.112 -1.319 15.724 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.450 -1.896 15.993 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.732 -0.260 15.352 1.00 0.00 H new ATOM 0 HG21 VAL B 2 14.249 0.069 17.235 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.150 1.468 17.287 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.554 0.597 18.786 1.00 0.00 H new ATOM 1524 N SER B 3 9.090 1.001 16.359 1.00 0.00 N ATOM 1525 CA SER B 3 8.102 1.865 15.574 1.00 0.00 C ATOM 1526 C SER B 3 8.618 3.199 14.854 1.00 0.00 C ATOM 1527 O SER B 3 9.507 3.937 15.350 1.00 0.00 O ATOM 1528 CB SER B 3 6.660 2.031 16.303 1.00 0.00 C ATOM 1529 OG SER B 3 6.000 0.782 16.478 1.00 0.00 O ATOM 0 H SER B 3 9.103 0.053 15.982 1.00 0.00 H new ATOM 0 HA SER B 3 7.964 1.232 14.698 1.00 0.00 H new ATOM 0 HB2 SER B 3 6.798 2.506 17.274 1.00 0.00 H new ATOM 0 HB3 SER B 3 6.029 2.694 15.711 1.00 0.00 H new ATOM 0 HG SER B 3 6.166 0.212 15.698 1.00 0.00 H new ATOM 1535 N GLU B 4 7.966 3.414 13.654 1.00 0.00 N ATOM 1536 CA GLU B 4 8.006 4.565 12.637 1.00 0.00 C ATOM 1537 C GLU B 4 7.292 5.944 13.121 1.00 0.00 C ATOM 1538 O GLU B 4 6.597 5.974 14.179 1.00 0.00 O ATOM 1539 CB GLU B 4 7.346 4.039 11.195 1.00 0.00 C ATOM 1540 CG GLU B 4 6.145 2.965 11.136 1.00 0.00 C ATOM 1541 CD GLU B 4 4.815 3.156 11.962 1.00 0.00 C ATOM 1542 OE1 GLU B 4 4.861 3.345 13.211 1.00 0.00 O ATOM 1543 OE2 GLU B 4 3.745 3.057 11.346 1.00 0.00 O ATOM 0 H GLU B 4 7.315 2.701 13.325 1.00 0.00 H new ATOM 0 HA GLU B 4 9.057 4.829 12.519 1.00 0.00 H new ATOM 0 HB2 GLU B 4 6.997 4.927 10.669 1.00 0.00 H new ATOM 0 HB3 GLU B 4 8.166 3.623 10.609 1.00 0.00 H new ATOM 0 HG2 GLU B 4 5.855 2.874 10.089 1.00 0.00 H new ATOM 0 HG3 GLU B 4 6.566 2.005 11.435 1.00 0.00 H new ATOM 1550 N ARG B 5 7.516 7.070 12.275 1.00 0.00 N ATOM 1551 CA ARG B 5 6.854 8.470 12.354 1.00 0.00 C ATOM 1552 C ARG B 5 5.345 8.473 11.745 1.00 0.00 C ATOM 1553 O ARG B 5 4.469 9.228 12.243 1.00 0.00 O ATOM 1554 CB ARG B 5 7.762 9.569 11.600 1.00 0.00 C ATOM 1555 CG ARG B 5 9.122 9.947 12.260 1.00 0.00 C ATOM 1556 CD ARG B 5 9.977 10.809 11.323 1.00 0.00 C ATOM 1557 NE ARG B 5 11.303 11.208 11.957 1.00 0.00 N ATOM 1558 CZ ARG B 5 12.424 11.871 11.383 1.00 0.00 C ATOM 1559 NH1 ARG B 5 12.497 12.272 10.071 1.00 0.00 N ATOM 1560 NH2 ARG B 5 13.471 12.115 12.161 1.00 0.00 N ATOM 0 H ARG B 5 8.181 7.016 11.503 1.00 0.00 H new ATOM 0 HA ARG B 5 6.780 8.730 13.410 1.00 0.00 H new ATOM 0 HB2 ARG B 5 7.965 9.205 10.593 1.00 0.00 H new ATOM 0 HB3 ARG B 5 7.173 10.480 11.497 1.00 0.00 H new ATOM 0 HG2 ARG B 5 8.940 10.487 13.189 1.00 0.00 H new ATOM 0 HG3 ARG B 5 9.667 9.039 12.520 1.00 0.00 H new ATOM 0 HD2 ARG B 5 10.168 10.260 10.401 1.00 0.00 H new ATOM 0 HD3 ARG B 5 9.422 11.707 11.051 1.00 0.00 H new ATOM 0 HE ARG B 5 11.403 10.963 12.942 1.00 0.00 H new ATOM 0 HH11 ARG B 5 11.714 12.099 9.440 1.00 0.00 H new ATOM 0 HH12 ARG B 5 13.334 12.743 9.728 1.00 0.00 H new ATOM 0 HH21 ARG B 5 13.457 11.829 13.140 1.00 0.00 H new ATOM 0 HH22 ARG B 5 14.290 12.588 11.780 1.00 0.00 H new ATOM 1574 N ILE B 6 5.083 7.524 10.652 1.00 0.00 N ATOM 1575 CA ILE B 6 3.775 7.278 9.804 1.00 0.00 C ATOM 1576 C ILE B 6 3.101 8.595 9.168 1.00 0.00 C ATOM 1577 O ILE B 6 1.985 9.050 9.561 1.00 0.00 O ATOM 1578 CB ILE B 6 2.776 5.990 10.352 1.00 0.00 C ATOM 1579 CG1 ILE B 6 1.599 5.393 9.389 1.00 0.00 C ATOM 1580 CG2 ILE B 6 2.155 6.205 11.761 1.00 0.00 C ATOM 1581 CD1 ILE B 6 1.916 4.799 7.995 1.00 0.00 C ATOM 0 H ILE B 6 5.826 6.896 10.345 1.00 0.00 H new ATOM 0 HA ILE B 6 4.119 6.825 8.874 1.00 0.00 H new ATOM 0 HB ILE B 6 3.559 5.232 10.355 1.00 0.00 H new ATOM 0 HG12 ILE B 6 1.090 4.614 9.957 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.879 6.196 9.234 1.00 0.00 H new ATOM 0 HG21 ILE B 6 1.541 5.343 12.023 1.00 0.00 H new ATOM 0 HG22 ILE B 6 2.952 6.321 12.496 1.00 0.00 H new ATOM 0 HG23 ILE B 6 1.536 7.102 11.753 1.00 0.00 H new ATOM 0 HD11 ILE B 6 0.992 4.461 7.525 1.00 0.00 H new ATOM 0 HD12 ILE B 6 2.382 5.562 7.372 1.00 0.00 H new ATOM 0 HD13 ILE B 6 2.597 3.955 8.105 1.00 0.00 H new ATOM 1593 N SER B 7 3.947 9.181 8.245 1.00 0.00 N ATOM 1594 CA SER B 7 3.733 10.543 7.490 1.00 0.00 C ATOM 1595 C SER B 7 3.634 10.405 5.863 1.00 0.00 C ATOM 1596 O SER B 7 3.728 11.433 5.095 1.00 0.00 O ATOM 1597 CB SER B 7 4.842 11.624 7.981 1.00 0.00 C ATOM 1598 OG SER B 7 6.198 11.192 7.767 1.00 0.00 O ATOM 0 H SER B 7 4.824 8.735 7.978 1.00 0.00 H new ATOM 0 HA SER B 7 2.746 10.915 7.766 1.00 0.00 H new ATOM 0 HB2 SER B 7 4.681 12.564 7.453 1.00 0.00 H new ATOM 0 HB3 SER B 7 4.696 11.826 9.042 1.00 0.00 H new ATOM 0 HG SER B 7 6.816 11.885 8.081 1.00 0.00 H new ATOM 1604 N SER B 8 3.292 9.114 5.391 1.00 0.00 N ATOM 1605 CA SER B 8 3.277 8.622 3.939 1.00 0.00 C ATOM 1606 C SER B 8 1.833 8.760 3.185 1.00 0.00 C ATOM 1607 O SER B 8 0.872 9.324 3.780 1.00 0.00 O ATOM 1608 CB SER B 8 3.821 7.145 3.923 1.00 0.00 C ATOM 1609 OG SER B 8 5.158 7.037 4.434 1.00 0.00 O ATOM 0 H SER B 8 3.014 8.377 6.039 1.00 0.00 H new ATOM 0 HA SER B 8 3.925 9.276 3.355 1.00 0.00 H new ATOM 0 HB2 SER B 8 3.159 6.513 4.515 1.00 0.00 H new ATOM 0 HB3 SER B 8 3.796 6.765 2.902 1.00 0.00 H new ATOM 0 HG SER B 8 5.322 6.117 4.731 1.00 0.00 H new ATOM 1615 N VAL B 9 1.745 8.258 1.827 1.00 0.00 N ATOM 1616 CA VAL B 9 0.496 8.292 0.916 1.00 0.00 C ATOM 1617 C VAL B 9 -0.046 6.765 0.770 1.00 0.00 C ATOM 1618 O VAL B 9 -0.681 6.309 1.700 1.00 0.00 O ATOM 1619 CB VAL B 9 0.770 9.068 -0.604 1.00 0.00 C ATOM 1620 CG1 VAL B 9 -0.533 9.481 -1.305 1.00 0.00 C ATOM 1621 CG2 VAL B 9 1.646 10.349 -0.544 1.00 0.00 C ATOM 1622 OXT VAL B 9 0.186 6.094 -0.263 1.00 0.00 O ATOM 0 H VAL B 9 2.546 7.828 1.365 1.00 0.00 H new ATOM 0 HA VAL B 9 -0.272 8.913 1.377 1.00 0.00 H new ATOM 0 HB VAL B 9 1.301 8.294 -1.158 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -0.299 9.963 -2.254 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -1.144 8.597 -1.488 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -1.083 10.177 -0.671 1.00 0.00 H new ATOM 0 HG21 VAL B 9 1.759 10.760 -1.547 1.00 0.00 H new ATOM 0 HG22 VAL B 9 1.167 11.087 0.099 1.00 0.00 H new ATOM 0 HG23 VAL B 9 2.628 10.100 -0.142 1.00 0.00 H new TER 1632 VAL B 9