USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 802 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 44 LYS NZ :NH3+ 160:sc= 0.212 (180deg=0.107) USER MOD Set 1.2: A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0904) USER MOD Single : A 13 THR OG1 : rot -150:sc= 0 USER MOD Single : A 14 GLN : amide:sc=-0.00864 K(o=-0.0086,f=-2.2!) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00597) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.12) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.297 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -4.58! C(o=-4.6!,f=-6.2!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 89:sc= -0.0514 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -145:sc= 0.344 (180deg=-0.169) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0.88 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 30:sc= 0 USER MOD Single : A 62 GLN :FLIP amide:sc= 0.284 F(o=-0.6,f=0.28) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -124:sc= 0.638 USER MOD Single : A 68 SER OG : rot -49:sc= 0.0891 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 25:sc= 0.953 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.458 K(o=-0.46,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.530 -6.895 -17.859 1.00 0.00 N ATOM 2 CA MET A 1 -13.654 -5.836 -16.839 1.00 0.00 C ATOM 3 C MET A 1 -12.747 -6.165 -15.655 1.00 0.00 C ATOM 4 O MET A 1 -13.135 -6.914 -14.760 1.00 0.00 O ATOM 5 CB MET A 1 -15.113 -5.657 -16.397 1.00 0.00 C ATOM 6 CG MET A 1 -15.955 -5.010 -17.502 1.00 0.00 C ATOM 7 SD MET A 1 -17.689 -4.736 -17.067 1.00 0.00 S ATOM 8 CE MET A 1 -18.252 -3.918 -18.575 1.00 0.00 C ATOM 0 H1 MET A 1 -14.010 -6.595 -18.731 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.524 -7.068 -18.059 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.969 -7.770 -17.506 1.00 0.00 H new ATOM 0 HA MET A 1 -13.337 -4.887 -17.271 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.537 -6.626 -16.134 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.150 -5.039 -15.500 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.506 -4.053 -17.769 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.912 -5.641 -18.389 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.310 -3.674 -18.483 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.680 -3.002 -18.727 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.106 -4.583 -19.426 1.00 0.00 H new ATOM 20 N GLY A 2 -11.527 -5.637 -15.668 1.00 0.00 N ATOM 21 CA GLY A 2 -10.537 -5.918 -14.649 1.00 0.00 C ATOM 22 C GLY A 2 -9.190 -5.395 -15.130 1.00 0.00 C ATOM 23 O GLY A 2 -9.106 -4.229 -15.497 1.00 0.00 O ATOM 0 H GLY A 2 -11.201 -4.998 -16.394 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -10.815 -5.442 -13.709 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -10.482 -6.990 -14.459 1.00 0.00 H new ATOM 27 N GLU A 3 -8.175 -6.267 -15.164 1.00 0.00 N ATOM 28 CA GLU A 3 -6.791 -5.952 -15.496 1.00 0.00 C ATOM 29 C GLU A 3 -6.100 -5.216 -14.338 1.00 0.00 C ATOM 30 O GLU A 3 -6.745 -4.792 -13.378 1.00 0.00 O ATOM 31 CB GLU A 3 -6.669 -5.293 -16.889 1.00 0.00 C ATOM 32 CG GLU A 3 -6.381 -3.783 -16.899 1.00 0.00 C ATOM 33 CD GLU A 3 -6.685 -3.161 -18.258 1.00 0.00 C ATOM 34 OE1 GLU A 3 -7.887 -2.969 -18.543 1.00 0.00 O ATOM 35 OE2 GLU A 3 -5.710 -2.904 -18.997 1.00 0.00 O ATOM 0 H GLU A 3 -8.308 -7.255 -14.950 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.226 -6.878 -15.604 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.875 -5.798 -17.439 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.596 -5.469 -17.434 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.981 -3.293 -16.132 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.335 -3.610 -16.645 1.00 0.00 H new ATOM 42 N TRP A 4 -4.770 -5.130 -14.394 1.00 0.00 N ATOM 43 CA TRP A 4 -3.992 -4.401 -13.401 1.00 0.00 C ATOM 44 C TRP A 4 -4.150 -2.895 -13.615 1.00 0.00 C ATOM 45 O TRP A 4 -4.656 -2.461 -14.648 1.00 0.00 O ATOM 46 CB TRP A 4 -2.517 -4.808 -13.473 1.00 0.00 C ATOM 47 CG TRP A 4 -2.175 -6.178 -12.973 1.00 0.00 C ATOM 48 CD1 TRP A 4 -2.627 -7.357 -13.459 1.00 0.00 C ATOM 49 CD2 TRP A 4 -1.282 -6.518 -11.875 1.00 0.00 C ATOM 50 NE1 TRP A 4 -2.062 -8.396 -12.746 1.00 0.00 N ATOM 51 CE2 TRP A 4 -1.215 -7.936 -11.758 1.00 0.00 C ATOM 52 CE3 TRP A 4 -0.521 -5.761 -10.964 1.00 0.00 C ATOM 53 CZ2 TRP A 4 -0.419 -8.570 -10.791 1.00 0.00 C ATOM 54 CZ3 TRP A 4 0.237 -6.380 -9.957 1.00 0.00 C ATOM 55 CH2 TRP A 4 0.306 -7.783 -9.880 1.00 0.00 C ATOM 0 H TRP A 4 -4.208 -5.563 -15.127 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.364 -4.651 -12.408 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -2.193 -4.733 -14.511 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -1.935 -4.083 -12.905 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -3.322 -7.468 -14.278 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -2.248 -9.382 -12.927 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -0.520 -4.684 -11.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -0.365 -9.648 -10.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 0.770 -5.776 -9.238 1.00 0.00 H new ATOM 0 HH2 TRP A 4 0.915 -8.254 -9.123 1.00 0.00 H new ATOM 66 N GLU A 5 -3.704 -2.084 -12.656 1.00 0.00 N ATOM 67 CA GLU A 5 -3.815 -0.637 -12.768 1.00 0.00 C ATOM 68 C GLU A 5 -2.751 0.056 -11.932 1.00 0.00 C ATOM 69 O GLU A 5 -1.945 -0.582 -11.256 1.00 0.00 O ATOM 70 CB GLU A 5 -5.232 -0.187 -12.366 1.00 0.00 C ATOM 71 CG GLU A 5 -5.912 0.738 -13.388 1.00 0.00 C ATOM 72 CD GLU A 5 -7.416 0.480 -13.466 1.00 0.00 C ATOM 73 OE1 GLU A 5 -8.035 0.392 -12.382 1.00 0.00 O ATOM 74 OE2 GLU A 5 -7.917 0.377 -14.606 1.00 0.00 O ATOM 0 H GLU A 5 -3.263 -2.408 -11.795 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.647 -0.349 -13.806 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.854 -1.070 -12.221 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.179 0.327 -11.406 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.734 1.778 -13.113 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.465 0.587 -14.370 1.00 0.00 H new ATOM 81 N ILE A 6 -2.772 1.385 -11.988 1.00 0.00 N ATOM 82 CA ILE A 6 -1.863 2.227 -11.237 1.00 0.00 C ATOM 83 C ILE A 6 -2.329 2.326 -9.784 1.00 0.00 C ATOM 84 O ILE A 6 -3.519 2.191 -9.497 1.00 0.00 O ATOM 85 CB ILE A 6 -1.700 3.605 -11.909 1.00 0.00 C ATOM 86 CG1 ILE A 6 -3.020 4.397 -11.996 1.00 0.00 C ATOM 87 CG2 ILE A 6 -1.087 3.427 -13.307 1.00 0.00 C ATOM 88 CD1 ILE A 6 -2.774 5.890 -12.237 1.00 0.00 C ATOM 0 H ILE A 6 -3.431 1.908 -12.565 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.871 1.774 -11.232 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.032 4.193 -11.280 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.632 3.995 -12.803 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.584 4.266 -11.072 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.972 4.402 -13.781 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.111 2.950 -13.218 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.742 2.803 -13.915 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.729 6.412 -12.292 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.184 6.299 -11.417 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.233 6.023 -13.174 1.00 0.00 H new ATOM 100 N ILE A 7 -1.386 2.555 -8.872 1.00 0.00 N ATOM 101 CA ILE A 7 -1.662 2.798 -7.464 1.00 0.00 C ATOM 102 C ILE A 7 -1.790 4.310 -7.270 1.00 0.00 C ATOM 103 O ILE A 7 -0.935 5.062 -7.739 1.00 0.00 O ATOM 104 CB ILE A 7 -0.540 2.156 -6.623 1.00 0.00 C ATOM 105 CG1 ILE A 7 -0.897 2.041 -5.134 1.00 0.00 C ATOM 106 CG2 ILE A 7 0.800 2.891 -6.756 1.00 0.00 C ATOM 107 CD1 ILE A 7 -0.579 0.652 -4.581 1.00 0.00 C ATOM 0 H ILE A 7 -0.392 2.577 -9.099 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.596 2.344 -7.133 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.434 1.153 -7.036 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.346 2.792 -4.569 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.957 2.253 -4.997 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.550 2.393 -6.142 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.119 2.880 -7.798 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.684 3.922 -6.423 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.846 0.611 -3.525 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.150 -0.097 -5.129 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.486 0.450 -4.694 1.00 0.00 H new ATOM 119 N ASP A 8 -2.860 4.776 -6.621 1.00 0.00 N ATOM 120 CA ASP A 8 -3.001 6.200 -6.340 1.00 0.00 C ATOM 121 C ASP A 8 -2.048 6.598 -5.208 1.00 0.00 C ATOM 122 O ASP A 8 -1.603 5.754 -4.427 1.00 0.00 O ATOM 123 CB ASP A 8 -4.462 6.565 -6.020 1.00 0.00 C ATOM 124 CG ASP A 8 -4.984 7.659 -6.947 1.00 0.00 C ATOM 125 OD1 ASP A 8 -4.302 8.704 -7.025 1.00 0.00 O ATOM 126 OD2 ASP A 8 -6.047 7.427 -7.564 1.00 0.00 O ATOM 0 H ASP A 8 -3.629 4.195 -6.286 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.729 6.767 -7.231 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.088 5.678 -6.115 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.536 6.899 -4.985 1.00 0.00 H new ATOM 131 N ILE A 9 -1.737 7.892 -5.114 1.00 0.00 N ATOM 132 CA ILE A 9 -0.913 8.455 -4.051 1.00 0.00 C ATOM 133 C ILE A 9 -1.832 8.958 -2.929 1.00 0.00 C ATOM 134 O ILE A 9 -3.054 8.957 -3.069 1.00 0.00 O ATOM 135 CB ILE A 9 -0.001 9.549 -4.646 1.00 0.00 C ATOM 136 CG1 ILE A 9 0.844 9.011 -5.818 1.00 0.00 C ATOM 137 CG2 ILE A 9 0.939 10.196 -3.616 1.00 0.00 C ATOM 138 CD1 ILE A 9 1.674 7.775 -5.452 1.00 0.00 C ATOM 0 H ILE A 9 -2.058 8.587 -5.788 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.254 7.707 -3.610 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.687 10.317 -5.002 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.183 8.763 -6.649 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.512 9.799 -6.166 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.549 10.955 -4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.349 10.660 -2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.587 9.433 -3.185 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.244 7.449 -6.322 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.359 8.024 -4.642 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.010 6.972 -5.132 1.00 0.00 H new ATOM 150 N GLY A 10 -1.252 9.374 -1.801 1.00 0.00 N ATOM 151 CA GLY A 10 -1.994 9.953 -0.694 1.00 0.00 C ATOM 152 C GLY A 10 -2.486 8.838 0.227 1.00 0.00 C ATOM 153 O GLY A 10 -1.695 7.945 0.545 1.00 0.00 O ATOM 0 H GLY A 10 -0.247 9.315 -1.635 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.360 10.644 -0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.840 10.528 -1.070 1.00 0.00 H new ATOM 157 N PRO A 11 -3.760 8.853 0.661 1.00 0.00 N ATOM 158 CA PRO A 11 -4.304 7.853 1.567 1.00 0.00 C ATOM 159 C PRO A 11 -4.590 6.569 0.785 1.00 0.00 C ATOM 160 O PRO A 11 -5.733 6.132 0.671 1.00 0.00 O ATOM 161 CB PRO A 11 -5.570 8.496 2.143 1.00 0.00 C ATOM 162 CG PRO A 11 -6.076 9.340 0.972 1.00 0.00 C ATOM 163 CD PRO A 11 -4.783 9.828 0.312 1.00 0.00 C ATOM 0 HA PRO A 11 -3.626 7.569 2.371 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.301 7.748 2.450 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.352 9.107 3.019 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.683 8.752 0.284 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.694 10.171 1.311 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.900 9.900 -0.769 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.513 10.821 0.670 1.00 0.00 H new ATOM 171 N PHE A 12 -3.536 5.962 0.234 1.00 0.00 N ATOM 172 CA PHE A 12 -3.622 4.759 -0.561 1.00 0.00 C ATOM 173 C PHE A 12 -2.302 4.000 -0.423 1.00 0.00 C ATOM 174 O PHE A 12 -2.227 3.050 0.352 1.00 0.00 O ATOM 175 CB PHE A 12 -4.000 5.146 -1.996 1.00 0.00 C ATOM 176 CG PHE A 12 -4.810 4.106 -2.735 1.00 0.00 C ATOM 177 CD1 PHE A 12 -4.188 2.964 -3.273 1.00 0.00 C ATOM 178 CD2 PHE A 12 -6.194 4.296 -2.905 1.00 0.00 C ATOM 179 CE1 PHE A 12 -4.933 2.065 -4.056 1.00 0.00 C ATOM 180 CE2 PHE A 12 -6.937 3.398 -3.686 1.00 0.00 C ATOM 181 CZ PHE A 12 -6.301 2.301 -4.287 1.00 0.00 C ATOM 0 H PHE A 12 -2.583 6.310 0.337 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.403 4.079 -0.220 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.566 6.077 -1.970 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.087 5.343 -2.558 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.141 2.779 -3.085 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -6.685 5.134 -2.433 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.456 1.194 -4.480 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.997 3.551 -3.824 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.862 1.637 -4.928 1.00 0.00 H new ATOM 191 N THR A 13 -1.232 4.450 -1.090 1.00 0.00 N ATOM 192 CA THR A 13 0.075 3.805 -0.993 1.00 0.00 C ATOM 193 C THR A 13 0.567 3.852 0.455 1.00 0.00 C ATOM 194 O THR A 13 0.920 2.830 1.052 1.00 0.00 O ATOM 195 CB THR A 13 1.064 4.432 -1.996 1.00 0.00 C ATOM 196 OG1 THR A 13 2.260 3.684 -1.986 1.00 0.00 O ATOM 197 CG2 THR A 13 1.400 5.906 -1.728 1.00 0.00 C ATOM 0 H THR A 13 -1.251 5.263 -1.705 1.00 0.00 H new ATOM 0 HA THR A 13 -0.007 2.753 -1.268 1.00 0.00 H new ATOM 0 HB THR A 13 0.568 4.405 -2.966 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.014 4.271 -2.203 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.102 6.262 -2.482 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.488 6.501 -1.771 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.850 6.003 -0.740 1.00 0.00 H new ATOM 205 N GLN A 14 0.524 5.045 1.051 1.00 0.00 N ATOM 206 CA GLN A 14 0.919 5.215 2.433 1.00 0.00 C ATOM 207 C GLN A 14 -0.047 4.445 3.325 1.00 0.00 C ATOM 208 O GLN A 14 0.401 3.755 4.228 1.00 0.00 O ATOM 209 CB GLN A 14 1.005 6.703 2.797 1.00 0.00 C ATOM 210 CG GLN A 14 2.462 7.134 3.023 1.00 0.00 C ATOM 211 CD GLN A 14 3.289 7.097 1.737 1.00 0.00 C ATOM 212 OE1 GLN A 14 4.173 6.262 1.564 1.00 0.00 O ATOM 213 NE2 GLN A 14 3.015 8.014 0.816 1.00 0.00 N ATOM 0 H GLN A 14 0.218 5.902 0.590 1.00 0.00 H new ATOM 0 HA GLN A 14 1.918 4.808 2.588 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.565 7.302 1.999 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.422 6.894 3.698 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.479 8.144 3.434 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.920 6.480 3.765 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.276 8.698 0.981 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.543 8.034 -0.056 1.00 0.00 H new ATOM 222 N ASN A 15 -1.355 4.526 3.063 1.00 0.00 N ATOM 223 CA ASN A 15 -2.361 3.796 3.834 1.00 0.00 C ATOM 224 C ASN A 15 -2.039 2.304 3.886 1.00 0.00 C ATOM 225 O ASN A 15 -2.132 1.688 4.941 1.00 0.00 O ATOM 226 CB ASN A 15 -3.766 4.011 3.252 1.00 0.00 C ATOM 227 CG ASN A 15 -4.748 4.502 4.306 1.00 0.00 C ATOM 228 OD1 ASN A 15 -4.815 5.696 4.577 1.00 0.00 O ATOM 229 ND2 ASN A 15 -5.521 3.603 4.909 1.00 0.00 N ATOM 0 H ASN A 15 -1.743 5.098 2.313 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.342 4.190 4.850 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.715 4.734 2.438 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.129 3.076 2.825 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.192 3.900 5.618 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.443 2.616 4.663 1.00 0.00 H new ATOM 236 N LEU A 16 -1.658 1.729 2.747 1.00 0.00 N ATOM 237 CA LEU A 16 -1.271 0.335 2.622 1.00 0.00 C ATOM 238 C LEU A 16 -0.008 0.072 3.440 1.00 0.00 C ATOM 239 O LEU A 16 -0.006 -0.819 4.293 1.00 0.00 O ATOM 240 CB LEU A 16 -1.079 0.006 1.133 1.00 0.00 C ATOM 241 CG LEU A 16 -2.417 -0.215 0.396 1.00 0.00 C ATOM 242 CD1 LEU A 16 -2.287 0.020 -1.113 1.00 0.00 C ATOM 243 CD2 LEU A 16 -2.938 -1.626 0.658 1.00 0.00 C ATOM 0 H LEU A 16 -1.610 2.238 1.865 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.050 -0.317 3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.534 0.819 0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.465 -0.889 1.039 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.127 0.515 0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.252 -0.147 -1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.964 1.045 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.553 -0.671 -1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.882 -1.769 0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.210 -2.355 0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.094 -1.763 1.728 1.00 0.00 H new ATOM 255 N ALA A 17 1.066 0.826 3.195 1.00 0.00 N ATOM 256 CA ALA A 17 2.306 0.661 3.946 1.00 0.00 C ATOM 257 C ALA A 17 2.039 0.718 5.456 1.00 0.00 C ATOM 258 O ALA A 17 2.466 -0.153 6.215 1.00 0.00 O ATOM 259 CB ALA A 17 3.302 1.737 3.511 1.00 0.00 C ATOM 0 H ALA A 17 1.099 1.555 2.483 1.00 0.00 H new ATOM 0 HA ALA A 17 2.734 -0.319 3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.231 1.619 4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.504 1.636 2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.882 2.723 3.709 1.00 0.00 H new ATOM 265 N LYS A 18 1.296 1.736 5.886 1.00 0.00 N ATOM 266 CA LYS A 18 0.925 1.910 7.275 1.00 0.00 C ATOM 267 C LYS A 18 0.082 0.738 7.753 1.00 0.00 C ATOM 268 O LYS A 18 0.335 0.234 8.835 1.00 0.00 O ATOM 269 CB LYS A 18 0.189 3.238 7.513 1.00 0.00 C ATOM 270 CG LYS A 18 0.973 4.161 8.451 1.00 0.00 C ATOM 271 CD LYS A 18 1.081 3.549 9.856 1.00 0.00 C ATOM 272 CE LYS A 18 1.473 4.611 10.890 1.00 0.00 C ATOM 273 NZ LYS A 18 2.823 5.150 10.644 1.00 0.00 N ATOM 0 H LYS A 18 0.936 2.465 5.270 1.00 0.00 H new ATOM 0 HA LYS A 18 1.847 1.942 7.856 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.028 3.741 6.559 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.795 3.038 7.938 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.971 4.334 8.047 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.480 5.131 8.509 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.128 3.099 10.135 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.822 2.749 9.852 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.748 5.425 10.867 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.433 4.177 11.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.069 5.827 11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.512 4.371 10.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.842 5.632 9.723 1.00 0.00 H new ATOM 287 N PHE A 19 -0.913 0.306 6.976 1.00 0.00 N ATOM 288 CA PHE A 19 -1.743 -0.843 7.319 1.00 0.00 C ATOM 289 C PHE A 19 -0.848 -2.036 7.635 1.00 0.00 C ATOM 290 O PHE A 19 -1.004 -2.654 8.683 1.00 0.00 O ATOM 291 CB PHE A 19 -2.728 -1.170 6.189 1.00 0.00 C ATOM 292 CG PHE A 19 -3.700 -2.295 6.496 1.00 0.00 C ATOM 293 CD1 PHE A 19 -3.292 -3.630 6.336 1.00 0.00 C ATOM 294 CD2 PHE A 19 -5.023 -2.017 6.892 1.00 0.00 C ATOM 295 CE1 PHE A 19 -4.204 -4.677 6.539 1.00 0.00 C ATOM 296 CE2 PHE A 19 -5.936 -3.069 7.092 1.00 0.00 C ATOM 297 CZ PHE A 19 -5.529 -4.401 6.902 1.00 0.00 C ATOM 0 H PHE A 19 -1.164 0.746 6.091 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.336 -0.603 8.201 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.298 -0.272 5.952 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.160 -1.433 5.296 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.273 -3.851 6.056 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.337 -0.995 7.042 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.883 -5.701 6.415 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.951 -2.853 7.392 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.234 -5.208 7.035 1.00 0.00 H new ATOM 307 N ALA A 20 0.101 -2.342 6.745 1.00 0.00 N ATOM 308 CA ALA A 20 1.061 -3.418 6.983 1.00 0.00 C ATOM 309 C ALA A 20 1.705 -3.280 8.363 1.00 0.00 C ATOM 310 O ALA A 20 1.624 -4.190 9.190 1.00 0.00 O ATOM 311 CB ALA A 20 2.151 -3.453 5.902 1.00 0.00 C ATOM 0 H ALA A 20 0.223 -1.859 5.855 1.00 0.00 H new ATOM 0 HA ALA A 20 0.508 -4.356 6.941 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.846 -4.266 6.112 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.691 -3.612 4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.690 -2.506 5.898 1.00 0.00 H new ATOM 317 N VAL A 21 2.354 -2.134 8.596 1.00 0.00 N ATOM 318 CA VAL A 21 3.087 -1.870 9.824 1.00 0.00 C ATOM 319 C VAL A 21 2.142 -1.993 11.019 1.00 0.00 C ATOM 320 O VAL A 21 2.369 -2.809 11.904 1.00 0.00 O ATOM 321 CB VAL A 21 3.725 -0.471 9.758 1.00 0.00 C ATOM 322 CG1 VAL A 21 4.498 -0.166 11.049 1.00 0.00 C ATOM 323 CG2 VAL A 21 4.688 -0.287 8.576 1.00 0.00 C ATOM 0 H VAL A 21 2.381 -1.363 7.929 1.00 0.00 H new ATOM 0 HA VAL A 21 3.887 -2.601 9.943 1.00 0.00 H new ATOM 0 HB VAL A 21 2.890 0.217 9.625 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.941 0.828 10.982 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.816 -0.202 11.899 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.286 -0.906 11.185 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.099 0.723 8.595 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.500 -1.010 8.652 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.150 -0.442 7.641 1.00 0.00 H new ATOM 333 N ASP A 22 1.101 -1.165 11.037 1.00 0.00 N ATOM 334 CA ASP A 22 0.087 -1.050 12.071 1.00 0.00 C ATOM 335 C ASP A 22 -0.493 -2.415 12.411 1.00 0.00 C ATOM 336 O ASP A 22 -0.399 -2.853 13.554 1.00 0.00 O ATOM 337 CB ASP A 22 -1.013 -0.093 11.594 1.00 0.00 C ATOM 338 CG ASP A 22 -2.171 0.003 12.583 1.00 0.00 C ATOM 339 OD1 ASP A 22 -1.890 0.027 13.799 1.00 0.00 O ATOM 340 OD2 ASP A 22 -3.323 0.054 12.098 1.00 0.00 O ATOM 0 H ASP A 22 0.936 -0.511 10.272 1.00 0.00 H new ATOM 0 HA ASP A 22 0.541 -0.650 12.978 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.587 0.898 11.441 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.390 -0.430 10.629 1.00 0.00 H new ATOM 345 N GLU A 23 -1.098 -3.093 11.431 1.00 0.00 N ATOM 346 CA GLU A 23 -1.700 -4.389 11.678 1.00 0.00 C ATOM 347 C GLU A 23 -0.682 -5.366 12.254 1.00 0.00 C ATOM 348 O GLU A 23 -0.967 -6.051 13.235 1.00 0.00 O ATOM 349 CB GLU A 23 -2.379 -4.930 10.418 1.00 0.00 C ATOM 350 CG GLU A 23 -3.669 -5.625 10.854 1.00 0.00 C ATOM 351 CD GLU A 23 -4.376 -6.358 9.720 1.00 0.00 C ATOM 352 OE1 GLU A 23 -3.714 -6.580 8.686 1.00 0.00 O ATOM 353 OE2 GLU A 23 -5.563 -6.697 9.911 1.00 0.00 O ATOM 0 H GLU A 23 -1.179 -2.762 10.470 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.480 -4.266 12.429 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.596 -4.120 9.722 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.723 -5.629 9.899 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.439 -6.335 11.648 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.347 -4.884 11.276 1.00 0.00 H new ATOM 360 N GLU A 24 0.519 -5.404 11.673 1.00 0.00 N ATOM 361 CA GLU A 24 1.572 -6.226 12.240 1.00 0.00 C ATOM 362 C GLU A 24 1.931 -5.770 13.660 1.00 0.00 C ATOM 363 O GLU A 24 2.252 -6.609 14.498 1.00 0.00 O ATOM 364 CB GLU A 24 2.771 -6.283 11.284 1.00 0.00 C ATOM 365 CG GLU A 24 3.942 -7.091 11.851 1.00 0.00 C ATOM 366 CD GLU A 24 3.533 -8.451 12.415 1.00 0.00 C ATOM 367 OE1 GLU A 24 2.606 -9.083 11.871 1.00 0.00 O ATOM 368 OE2 GLU A 24 4.185 -8.862 13.395 1.00 0.00 O ATOM 0 H GLU A 24 0.776 -4.887 10.832 1.00 0.00 H new ATOM 0 HA GLU A 24 1.213 -7.249 12.349 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.455 -6.723 10.338 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.106 -5.269 11.067 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.683 -7.241 11.065 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.425 -6.511 12.638 1.00 0.00 H new ATOM 375 N ASN A 25 1.870 -4.475 13.953 1.00 0.00 N ATOM 376 CA ASN A 25 2.125 -3.925 15.278 1.00 0.00 C ATOM 377 C ASN A 25 1.109 -4.467 16.277 1.00 0.00 C ATOM 378 O ASN A 25 1.481 -4.907 17.361 1.00 0.00 O ATOM 379 CB ASN A 25 2.074 -2.389 15.250 1.00 0.00 C ATOM 380 CG ASN A 25 3.148 -1.779 16.138 1.00 0.00 C ATOM 381 OD1 ASN A 25 2.925 -1.518 17.315 1.00 0.00 O ATOM 382 ND2 ASN A 25 4.327 -1.531 15.574 1.00 0.00 N ATOM 0 H ASN A 25 1.637 -3.764 13.260 1.00 0.00 H new ATOM 0 HA ASN A 25 3.124 -4.229 15.589 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.204 -2.038 14.226 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.092 -2.050 15.580 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.077 -1.112 16.124 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.481 -1.760 14.592 1.00 0.00 H new ATOM 389 N LYS A 26 -0.177 -4.435 15.907 1.00 0.00 N ATOM 390 CA LYS A 26 -1.237 -4.989 16.737 1.00 0.00 C ATOM 391 C LYS A 26 -1.006 -6.489 16.934 1.00 0.00 C ATOM 392 O LYS A 26 -0.913 -6.959 18.066 1.00 0.00 O ATOM 393 CB LYS A 26 -2.606 -4.774 16.082 1.00 0.00 C ATOM 394 CG LYS A 26 -3.061 -3.309 15.996 1.00 0.00 C ATOM 395 CD LYS A 26 -3.660 -3.075 14.605 1.00 0.00 C ATOM 396 CE LYS A 26 -4.636 -1.899 14.519 1.00 0.00 C ATOM 397 NZ LYS A 26 -5.955 -2.247 15.073 1.00 0.00 N ATOM 0 H LYS A 26 -0.503 -4.027 15.031 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.221 -4.480 17.701 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.580 -5.190 15.075 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.352 -5.338 16.641 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.799 -3.094 16.769 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.218 -2.639 16.165 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.848 -2.908 13.898 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.176 -3.982 14.289 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.227 -1.046 15.060 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.747 -1.593 13.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.590 -1.427 14.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.356 -3.045 14.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.852 -2.515 16.073 1.00 0.00 H new ATOM 411 N ILE A 27 -0.978 -7.248 15.834 1.00 0.00 N ATOM 412 CA ILE A 27 -0.997 -8.707 15.928 1.00 0.00 C ATOM 413 C ILE A 27 0.348 -9.270 16.413 1.00 0.00 C ATOM 414 O ILE A 27 0.370 -10.143 17.293 1.00 0.00 O ATOM 415 CB ILE A 27 -1.426 -9.327 14.587 1.00 0.00 C ATOM 416 CG1 ILE A 27 -2.770 -8.760 14.088 1.00 0.00 C ATOM 417 CG2 ILE A 27 -1.568 -10.845 14.776 1.00 0.00 C ATOM 418 CD1 ILE A 27 -3.021 -9.098 12.616 1.00 0.00 C ATOM 0 H ILE A 27 -0.943 -6.881 14.883 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.736 -8.984 16.680 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.666 -9.086 13.843 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.581 -9.161 14.696 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.778 -7.678 14.219 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.872 -11.302 13.834 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.612 -11.264 15.090 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.321 -11.048 15.538 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.978 -8.680 12.305 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.224 -8.675 12.004 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.039 -10.180 12.489 1.00 0.00 H new ATOM 430 N GLY A 28 1.456 -8.853 15.823 1.00 0.00 N ATOM 431 CA GLY A 28 2.795 -9.287 16.204 1.00 0.00 C ATOM 432 C GLY A 28 3.135 -10.714 15.746 1.00 0.00 C ATOM 433 O GLY A 28 3.710 -11.472 16.518 1.00 0.00 O ATOM 0 H GLY A 28 1.452 -8.189 15.049 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.525 -8.596 15.783 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.891 -9.230 17.288 1.00 0.00 H new ATOM 437 N GLN A 29 2.816 -11.093 14.497 1.00 0.00 N ATOM 438 CA GLN A 29 3.195 -12.412 13.974 1.00 0.00 C ATOM 439 C GLN A 29 4.655 -12.499 13.507 1.00 0.00 C ATOM 440 O GLN A 29 5.259 -13.564 13.613 1.00 0.00 O ATOM 441 CB GLN A 29 2.277 -12.813 12.810 1.00 0.00 C ATOM 442 CG GLN A 29 0.836 -13.123 13.215 1.00 0.00 C ATOM 443 CD GLN A 29 0.730 -14.254 14.234 1.00 0.00 C ATOM 444 OE1 GLN A 29 0.636 -15.421 13.860 1.00 0.00 O ATOM 445 NE2 GLN A 29 0.739 -13.936 15.522 1.00 0.00 N ATOM 0 H GLN A 29 2.301 -10.509 13.838 1.00 0.00 H new ATOM 0 HA GLN A 29 3.082 -13.100 14.812 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.269 -12.007 12.076 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.699 -13.689 12.317 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.380 -12.224 13.630 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.264 -13.389 12.326 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.818 -12.959 15.806 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.667 -14.668 16.229 1.00 0.00 H new ATOM 454 N TYR A 30 5.198 -11.427 12.930 1.00 0.00 N ATOM 455 CA TYR A 30 6.508 -11.407 12.278 1.00 0.00 C ATOM 456 C TYR A 30 7.294 -10.196 12.769 1.00 0.00 C ATOM 457 O TYR A 30 8.344 -10.335 13.392 1.00 0.00 O ATOM 458 CB TYR A 30 6.389 -11.447 10.736 1.00 0.00 C ATOM 459 CG TYR A 30 5.120 -10.895 10.099 1.00 0.00 C ATOM 460 CD1 TYR A 30 3.983 -11.720 10.011 1.00 0.00 C ATOM 461 CD2 TYR A 30 5.091 -9.623 9.486 1.00 0.00 C ATOM 462 CE1 TYR A 30 2.781 -11.216 9.486 1.00 0.00 C ATOM 463 CE2 TYR A 30 3.879 -9.103 9.006 1.00 0.00 C ATOM 464 CZ TYR A 30 2.713 -9.883 9.056 1.00 0.00 C ATOM 465 OH TYR A 30 1.507 -9.315 8.792 1.00 0.00 O ATOM 0 H TYR A 30 4.726 -10.523 12.902 1.00 0.00 H new ATOM 0 HA TYR A 30 7.054 -12.310 12.552 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.235 -10.899 10.322 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.496 -12.485 10.420 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.035 -12.745 10.348 1.00 0.00 H new ATOM 0 HD2 TYR A 30 6.001 -9.051 9.387 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.912 -11.853 9.414 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.843 -8.103 8.598 1.00 0.00 H new ATOM 0 HH TYR A 30 1.638 -8.387 8.506 1.00 0.00 H new ATOM 475 N GLY A 31 6.760 -9.008 12.500 1.00 0.00 N ATOM 476 CA GLY A 31 7.302 -7.733 12.931 1.00 0.00 C ATOM 477 C GLY A 31 7.775 -6.984 11.698 1.00 0.00 C ATOM 478 O GLY A 31 8.393 -7.585 10.821 1.00 0.00 O ATOM 0 H GLY A 31 5.904 -8.909 11.954 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.544 -7.156 13.460 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.129 -7.885 13.625 1.00 0.00 H new ATOM 482 N ARG A 32 7.508 -5.678 11.604 1.00 0.00 N ATOM 483 CA ARG A 32 7.910 -4.886 10.450 1.00 0.00 C ATOM 484 C ARG A 32 9.397 -4.516 10.518 1.00 0.00 C ATOM 485 O ARG A 32 9.769 -3.363 10.294 1.00 0.00 O ATOM 486 CB ARG A 32 6.948 -3.697 10.267 1.00 0.00 C ATOM 487 CG ARG A 32 6.748 -3.285 8.799 1.00 0.00 C ATOM 488 CD ARG A 32 7.757 -2.256 8.275 1.00 0.00 C ATOM 489 NE ARG A 32 7.361 -1.755 6.946 1.00 0.00 N ATOM 490 CZ ARG A 32 7.778 -0.609 6.380 1.00 0.00 C ATOM 491 NH1 ARG A 32 8.654 0.182 7.010 1.00 0.00 N ATOM 492 NH2 ARG A 32 7.306 -0.254 5.183 1.00 0.00 N ATOM 0 H ARG A 32 7.012 -5.149 12.321 1.00 0.00 H new ATOM 0 HA ARG A 32 7.823 -5.480 9.541 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.980 -3.954 10.698 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.329 -2.843 10.826 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.804 -4.177 8.175 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.743 -2.878 8.684 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.829 -1.423 8.975 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.747 -2.709 8.216 1.00 0.00 H new ATOM 0 HE ARG A 32 6.712 -2.329 6.408 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.012 -0.082 7.928 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.964 1.049 6.572 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.633 -0.851 4.703 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.619 0.614 4.749 1.00 0.00 H new ATOM 506 N LEU A 33 10.248 -5.515 10.793 1.00 0.00 N ATOM 507 CA LEU A 33 11.692 -5.395 10.835 1.00 0.00 C ATOM 508 C LEU A 33 12.073 -4.139 11.624 1.00 0.00 C ATOM 509 O LEU A 33 11.615 -3.966 12.752 1.00 0.00 O ATOM 510 CB LEU A 33 12.265 -5.445 9.412 1.00 0.00 C ATOM 511 CG LEU A 33 12.075 -6.745 8.608 1.00 0.00 C ATOM 512 CD1 LEU A 33 12.658 -7.974 9.312 1.00 0.00 C ATOM 513 CD2 LEU A 33 10.635 -7.034 8.194 1.00 0.00 C ATOM 0 H LEU A 33 9.925 -6.461 10.999 1.00 0.00 H new ATOM 0 HA LEU A 33 12.139 -6.238 11.362 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.819 -4.630 8.842 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.334 -5.242 9.474 1.00 0.00 H new ATOM 0 HG LEU A 33 12.640 -6.555 7.695 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.493 -8.858 8.696 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.728 -7.833 9.465 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.168 -8.107 10.277 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.598 -7.968 7.633 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.011 -7.120 9.084 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.266 -6.221 7.569 1.00 0.00 H new ATOM 525 N THR A 34 12.917 -3.275 11.060 1.00 0.00 N ATOM 526 CA THR A 34 13.262 -1.992 11.655 1.00 0.00 C ATOM 527 C THR A 34 12.930 -0.878 10.661 1.00 0.00 C ATOM 528 O THR A 34 13.816 -0.403 9.960 1.00 0.00 O ATOM 529 CB THR A 34 14.733 -2.016 12.093 1.00 0.00 C ATOM 530 OG1 THR A 34 14.922 -3.071 13.017 1.00 0.00 O ATOM 531 CG2 THR A 34 15.180 -0.716 12.769 1.00 0.00 C ATOM 0 H THR A 34 13.382 -3.451 10.170 1.00 0.00 H new ATOM 0 HA THR A 34 12.676 -1.796 12.553 1.00 0.00 H new ATOM 0 HB THR A 34 15.328 -2.149 11.190 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.860 -3.094 13.300 1.00 0.00 H new ATOM 0 HG21 THR A 34 16.229 -0.797 13.055 1.00 0.00 H new ATOM 0 HG22 THR A 34 15.056 0.116 12.076 1.00 0.00 H new ATOM 0 HG23 THR A 34 14.574 -0.541 13.658 1.00 0.00 H new ATOM 539 N PHE A 35 11.644 -0.495 10.606 1.00 0.00 N ATOM 540 CA PHE A 35 11.119 0.700 9.948 1.00 0.00 C ATOM 541 C PHE A 35 11.904 1.117 8.694 1.00 0.00 C ATOM 542 O PHE A 35 12.634 2.106 8.700 1.00 0.00 O ATOM 543 CB PHE A 35 10.984 1.825 10.991 1.00 0.00 C ATOM 544 CG PHE A 35 9.637 2.516 10.976 1.00 0.00 C ATOM 545 CD1 PHE A 35 8.533 1.885 11.577 1.00 0.00 C ATOM 546 CD2 PHE A 35 9.493 3.800 10.421 1.00 0.00 C ATOM 547 CE1 PHE A 35 7.300 2.548 11.657 1.00 0.00 C ATOM 548 CE2 PHE A 35 8.253 4.459 10.489 1.00 0.00 C ATOM 549 CZ PHE A 35 7.155 3.836 11.110 1.00 0.00 C ATOM 0 H PHE A 35 10.906 -1.045 11.046 1.00 0.00 H new ATOM 0 HA PHE A 35 10.130 0.467 9.554 1.00 0.00 H new ATOM 0 HB2 PHE A 35 11.157 1.410 11.984 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.764 2.566 10.815 1.00 0.00 H new ATOM 0 HD1 PHE A 35 8.635 0.887 11.978 1.00 0.00 H new ATOM 0 HD2 PHE A 35 10.334 4.280 9.943 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.461 2.069 12.139 1.00 0.00 H new ATOM 0 HE2 PHE A 35 8.143 5.446 10.064 1.00 0.00 H new ATOM 0 HZ PHE A 35 6.204 4.345 11.167 1.00 0.00 H new ATOM 559 N ASN A 36 11.757 0.338 7.621 1.00 0.00 N ATOM 560 CA ASN A 36 12.464 0.498 6.372 1.00 0.00 C ATOM 561 C ASN A 36 11.662 1.442 5.476 1.00 0.00 C ATOM 562 O ASN A 36 11.259 2.516 5.917 1.00 0.00 O ATOM 563 CB ASN A 36 12.654 -0.903 5.771 1.00 0.00 C ATOM 564 CG ASN A 36 11.317 -1.616 5.535 1.00 0.00 C ATOM 565 OD1 ASN A 36 10.772 -1.595 4.437 1.00 0.00 O ATOM 566 ND2 ASN A 36 10.760 -2.247 6.559 1.00 0.00 N ATOM 0 H ASN A 36 11.112 -0.452 7.609 1.00 0.00 H new ATOM 0 HA ASN A 36 13.450 0.947 6.496 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.193 -0.822 4.827 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.271 -1.503 6.440 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.866 -2.724 6.439 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.225 -2.256 7.467 1.00 0.00 H new ATOM 573 N LYS A 37 11.388 1.045 4.236 1.00 0.00 N ATOM 574 CA LYS A 37 10.685 1.848 3.264 1.00 0.00 C ATOM 575 C LYS A 37 10.115 0.905 2.208 1.00 0.00 C ATOM 576 O LYS A 37 10.664 -0.166 1.952 1.00 0.00 O ATOM 577 CB LYS A 37 11.648 2.887 2.670 1.00 0.00 C ATOM 578 CG LYS A 37 10.887 3.970 1.899 1.00 0.00 C ATOM 579 CD LYS A 37 11.814 5.134 1.535 1.00 0.00 C ATOM 580 CE LYS A 37 10.982 6.286 0.967 1.00 0.00 C ATOM 581 NZ LYS A 37 11.834 7.418 0.564 1.00 0.00 N ATOM 0 H LYS A 37 11.660 0.129 3.879 1.00 0.00 H new ATOM 0 HA LYS A 37 9.861 2.402 3.715 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.230 3.346 3.469 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.356 2.392 2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.459 3.544 0.992 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.056 4.336 2.502 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.362 5.467 2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.554 4.809 0.803 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.411 5.935 0.108 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.262 6.619 1.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.239 8.182 0.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.360 7.768 1.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.505 7.105 -0.166 1.00 0.00 H new ATOM 595 N VAL A 38 8.995 1.303 1.610 1.00 0.00 N ATOM 596 CA VAL A 38 8.387 0.597 0.499 1.00 0.00 C ATOM 597 C VAL A 38 8.921 1.217 -0.789 1.00 0.00 C ATOM 598 O VAL A 38 9.054 2.438 -0.867 1.00 0.00 O ATOM 599 CB VAL A 38 6.855 0.628 0.665 1.00 0.00 C ATOM 600 CG1 VAL A 38 6.285 2.055 0.693 1.00 0.00 C ATOM 601 CG2 VAL A 38 6.113 -0.196 -0.391 1.00 0.00 C ATOM 0 H VAL A 38 8.481 2.138 1.892 1.00 0.00 H new ATOM 0 HA VAL A 38 8.647 -0.461 0.464 1.00 0.00 H new ATOM 0 HB VAL A 38 6.682 0.166 1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.202 2.012 0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.720 2.604 1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.528 2.562 -0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.039 -0.130 -0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.343 0.193 -1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.428 -1.238 -0.327 1.00 0.00 H new ATOM 611 N ILE A 39 9.287 0.391 -1.773 1.00 0.00 N ATOM 612 CA ILE A 39 9.700 0.926 -3.066 1.00 0.00 C ATOM 613 C ILE A 39 8.475 1.535 -3.754 1.00 0.00 C ATOM 614 O ILE A 39 7.351 1.343 -3.292 1.00 0.00 O ATOM 615 CB ILE A 39 10.389 -0.152 -3.923 1.00 0.00 C ATOM 616 CG1 ILE A 39 9.412 -1.243 -4.379 1.00 0.00 C ATOM 617 CG2 ILE A 39 11.563 -0.792 -3.169 1.00 0.00 C ATOM 618 CD1 ILE A 39 9.182 -1.194 -5.889 1.00 0.00 C ATOM 0 H ILE A 39 9.305 -0.626 -1.700 1.00 0.00 H new ATOM 0 HA ILE A 39 10.445 1.710 -2.926 1.00 0.00 H new ATOM 0 HB ILE A 39 10.767 0.355 -4.811 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.803 -2.222 -4.101 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.461 -1.121 -3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 39 12.030 -1.549 -3.799 1.00 0.00 H new ATOM 0 HG22 ILE A 39 12.296 -0.025 -2.919 1.00 0.00 H new ATOM 0 HG23 ILE A 39 11.197 -1.257 -2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.485 -1.981 -6.177 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.767 -0.224 -6.163 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.130 -1.342 -6.406 1.00 0.00 H new ATOM 630 N ARG A 40 8.661 2.260 -4.857 1.00 0.00 N ATOM 631 CA ARG A 40 7.559 2.812 -5.622 1.00 0.00 C ATOM 632 C ARG A 40 8.028 3.048 -7.061 1.00 0.00 C ATOM 633 O ARG A 40 9.238 3.100 -7.289 1.00 0.00 O ATOM 634 CB ARG A 40 7.050 4.114 -4.967 1.00 0.00 C ATOM 635 CG ARG A 40 5.732 3.901 -4.203 1.00 0.00 C ATOM 636 CD ARG A 40 4.985 5.219 -3.942 1.00 0.00 C ATOM 637 NE ARG A 40 5.239 5.728 -2.586 1.00 0.00 N ATOM 638 CZ ARG A 40 6.242 6.540 -2.225 1.00 0.00 C ATOM 639 NH1 ARG A 40 7.125 6.976 -3.133 1.00 0.00 N ATOM 640 NH2 ARG A 40 6.358 6.909 -0.945 1.00 0.00 N ATOM 0 H ARG A 40 9.581 2.477 -5.239 1.00 0.00 H new ATOM 0 HA ARG A 40 6.724 2.112 -5.636 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.808 4.495 -4.282 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.904 4.873 -5.736 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.090 3.229 -4.773 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.942 3.411 -3.252 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.295 5.964 -4.675 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.915 5.064 -4.078 1.00 0.00 H new ATOM 0 HE ARG A 40 4.592 5.436 -1.853 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.037 6.690 -4.108 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.885 7.594 -2.849 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.687 6.573 -0.254 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.118 7.527 -0.659 1.00 0.00 H new ATOM 654 N PRO A 41 7.104 3.222 -8.021 1.00 0.00 N ATOM 655 CA PRO A 41 5.664 3.093 -7.847 1.00 0.00 C ATOM 656 C PRO A 41 5.265 1.623 -7.664 1.00 0.00 C ATOM 657 O PRO A 41 6.011 0.718 -8.030 1.00 0.00 O ATOM 658 CB PRO A 41 5.043 3.723 -9.095 1.00 0.00 C ATOM 659 CG PRO A 41 6.107 3.507 -10.170 1.00 0.00 C ATOM 660 CD PRO A 41 7.427 3.561 -9.396 1.00 0.00 C ATOM 0 HA PRO A 41 5.308 3.597 -6.948 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.101 3.243 -9.360 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.831 4.782 -8.947 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.978 2.549 -10.674 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.062 4.279 -10.938 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.150 2.859 -9.810 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.874 4.553 -9.458 1.00 0.00 H new ATOM 668 N CYS A 42 4.104 1.409 -7.046 1.00 0.00 N ATOM 669 CA CYS A 42 3.524 0.099 -6.750 1.00 0.00 C ATOM 670 C CYS A 42 2.315 -0.092 -7.680 1.00 0.00 C ATOM 671 O CYS A 42 2.054 0.801 -8.487 1.00 0.00 O ATOM 672 CB CYS A 42 3.252 0.014 -5.235 1.00 0.00 C ATOM 673 SG CYS A 42 4.857 -0.276 -4.432 1.00 0.00 S ATOM 0 H CYS A 42 3.516 2.178 -6.724 1.00 0.00 H new ATOM 0 HA CYS A 42 4.188 -0.741 -6.956 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.798 0.936 -4.871 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.556 -0.794 -5.011 1.00 0.00 H new ATOM 0 HG CYS A 42 5.423 0.864 -4.169 1.00 0.00 H new ATOM 679 N MET A 43 1.598 -1.229 -7.652 1.00 0.00 N ATOM 680 CA MET A 43 0.650 -1.529 -8.733 1.00 0.00 C ATOM 681 C MET A 43 -0.608 -2.248 -8.230 1.00 0.00 C ATOM 682 O MET A 43 -0.534 -3.090 -7.334 1.00 0.00 O ATOM 683 CB MET A 43 1.404 -2.328 -9.812 1.00 0.00 C ATOM 684 CG MET A 43 0.927 -2.049 -11.243 1.00 0.00 C ATOM 685 SD MET A 43 2.034 -2.733 -12.507 1.00 0.00 S ATOM 686 CE MET A 43 1.210 -2.184 -14.017 1.00 0.00 C ATOM 0 H MET A 43 1.654 -1.934 -6.917 1.00 0.00 H new ATOM 0 HA MET A 43 0.277 -0.600 -9.164 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.467 -2.098 -9.743 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.294 -3.392 -9.604 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.070 -2.469 -11.376 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.841 -0.972 -11.388 1.00 0.00 H new ATOM 0 HE1 MET A 43 1.773 -2.528 -14.885 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.202 -2.596 -14.052 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.157 -1.095 -14.027 1.00 0.00 H new ATOM 696 N LYS A 44 -1.771 -1.905 -8.790 1.00 0.00 N ATOM 697 CA LYS A 44 -3.057 -2.493 -8.437 1.00 0.00 C ATOM 698 C LYS A 44 -3.306 -3.747 -9.274 1.00 0.00 C ATOM 699 O LYS A 44 -2.983 -3.759 -10.462 1.00 0.00 O ATOM 700 CB LYS A 44 -4.182 -1.464 -8.625 1.00 0.00 C ATOM 701 CG LYS A 44 -5.539 -2.083 -8.259 1.00 0.00 C ATOM 702 CD LYS A 44 -6.601 -1.049 -7.891 1.00 0.00 C ATOM 703 CE LYS A 44 -7.165 -0.339 -9.127 1.00 0.00 C ATOM 704 NZ LYS A 44 -8.379 0.431 -8.805 1.00 0.00 N ATOM 0 H LYS A 44 -1.842 -1.194 -9.518 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.042 -2.784 -7.387 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.993 -0.591 -8.001 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.199 -1.119 -9.659 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.897 -2.677 -9.100 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.403 -2.767 -7.421 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.412 -1.539 -7.353 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.169 -0.311 -7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.409 0.329 -9.540 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.394 -1.076 -9.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.540 1.149 -9.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.196 -0.211 -8.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.259 0.899 -7.884 1.00 0.00 H new ATOM 718 N LYS A 45 -3.916 -4.771 -8.665 1.00 0.00 N ATOM 719 CA LYS A 45 -4.285 -6.030 -9.299 1.00 0.00 C ATOM 720 C LYS A 45 -5.737 -6.327 -8.937 1.00 0.00 C ATOM 721 O LYS A 45 -6.143 -6.104 -7.807 1.00 0.00 O ATOM 722 CB LYS A 45 -3.351 -7.120 -8.765 1.00 0.00 C ATOM 723 CG LYS A 45 -3.729 -8.560 -9.168 1.00 0.00 C ATOM 724 CD LYS A 45 -4.078 -9.414 -7.944 1.00 0.00 C ATOM 725 CE LYS A 45 -3.876 -10.910 -8.211 1.00 0.00 C ATOM 726 NZ LYS A 45 -4.108 -11.707 -6.993 1.00 0.00 N ATOM 0 H LYS A 45 -4.174 -4.738 -7.679 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.191 -5.985 -10.384 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.340 -6.914 -9.116 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.329 -7.057 -7.677 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.579 -8.537 -9.850 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.899 -9.017 -9.707 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.458 -9.109 -7.101 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.115 -9.233 -7.659 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.557 -11.237 -8.997 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.863 -11.083 -8.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.456 -12.517 -6.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.942 -11.115 -6.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.089 -12.052 -6.985 1.00 0.00 H new ATOM 740 N THR A 46 -6.534 -6.844 -9.869 1.00 0.00 N ATOM 741 CA THR A 46 -7.888 -7.288 -9.568 1.00 0.00 C ATOM 742 C THR A 46 -7.935 -8.814 -9.640 1.00 0.00 C ATOM 743 O THR A 46 -7.811 -9.406 -10.712 1.00 0.00 O ATOM 744 CB THR A 46 -8.874 -6.561 -10.484 1.00 0.00 C ATOM 745 OG1 THR A 46 -10.203 -6.824 -10.090 1.00 0.00 O ATOM 746 CG2 THR A 46 -8.699 -6.908 -11.960 1.00 0.00 C ATOM 0 H THR A 46 -6.261 -6.965 -10.844 1.00 0.00 H new ATOM 0 HA THR A 46 -8.191 -7.028 -8.554 1.00 0.00 H new ATOM 0 HB THR A 46 -8.656 -5.498 -10.378 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.821 -6.350 -10.685 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.430 -6.358 -12.552 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.693 -6.636 -12.281 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.849 -7.978 -12.102 1.00 0.00 H new ATOM 754 N ILE A 47 -8.030 -9.458 -8.477 1.00 0.00 N ATOM 755 CA ILE A 47 -8.152 -10.908 -8.394 1.00 0.00 C ATOM 756 C ILE A 47 -9.463 -11.412 -9.011 1.00 0.00 C ATOM 757 O ILE A 47 -10.536 -10.856 -8.780 1.00 0.00 O ATOM 758 CB ILE A 47 -8.003 -11.372 -6.933 1.00 0.00 C ATOM 759 CG1 ILE A 47 -8.260 -12.882 -6.801 1.00 0.00 C ATOM 760 CG2 ILE A 47 -8.980 -10.626 -6.028 1.00 0.00 C ATOM 761 CD1 ILE A 47 -7.861 -13.416 -5.416 1.00 0.00 C ATOM 0 H ILE A 47 -8.024 -8.989 -7.571 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.344 -11.345 -8.981 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.980 -11.154 -6.627 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.316 -13.087 -6.978 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.699 -13.414 -7.570 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.858 -10.969 -5.000 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.779 -9.556 -6.080 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.001 -10.820 -6.357 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.060 -14.487 -5.368 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.799 -13.236 -5.249 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.441 -12.904 -4.648 1.00 0.00 H new ATOM 773 N TYR A 48 -9.378 -12.514 -9.755 1.00 0.00 N ATOM 774 CA TYR A 48 -10.501 -13.267 -10.273 1.00 0.00 C ATOM 775 C TYR A 48 -10.729 -14.536 -9.448 1.00 0.00 C ATOM 776 O TYR A 48 -9.991 -14.842 -8.515 1.00 0.00 O ATOM 777 CB TYR A 48 -10.194 -13.602 -11.738 1.00 0.00 C ATOM 778 CG TYR A 48 -9.685 -12.423 -12.538 1.00 0.00 C ATOM 779 CD1 TYR A 48 -10.461 -11.260 -12.576 1.00 0.00 C ATOM 780 CD2 TYR A 48 -8.421 -12.442 -13.157 1.00 0.00 C ATOM 781 CE1 TYR A 48 -10.022 -10.133 -13.288 1.00 0.00 C ATOM 782 CE2 TYR A 48 -7.968 -11.308 -13.855 1.00 0.00 C ATOM 783 CZ TYR A 48 -8.766 -10.150 -13.915 1.00 0.00 C ATOM 784 OH TYR A 48 -8.347 -9.070 -14.635 1.00 0.00 O ATOM 0 H TYR A 48 -8.480 -12.918 -10.021 1.00 0.00 H new ATOM 0 HA TYR A 48 -11.418 -12.682 -10.208 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.452 -14.400 -11.771 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -11.098 -13.987 -12.210 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.406 -11.229 -12.053 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.801 -13.324 -13.096 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.648 -9.256 -13.353 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.006 -11.326 -14.346 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.455 -9.247 -15.001 1.00 0.00 H new ATOM 794 N GLU A 49 -11.756 -15.291 -9.828 1.00 0.00 N ATOM 795 CA GLU A 49 -12.181 -16.529 -9.210 1.00 0.00 C ATOM 796 C GLU A 49 -12.143 -17.583 -10.305 1.00 0.00 C ATOM 797 O GLU A 49 -13.165 -17.942 -10.881 1.00 0.00 O ATOM 798 CB GLU A 49 -13.589 -16.342 -8.644 1.00 0.00 C ATOM 799 CG GLU A 49 -13.558 -15.837 -7.197 1.00 0.00 C ATOM 800 CD GLU A 49 -13.627 -16.988 -6.194 1.00 0.00 C ATOM 801 OE1 GLU A 49 -12.790 -17.907 -6.320 1.00 0.00 O ATOM 802 OE2 GLU A 49 -14.529 -16.940 -5.330 1.00 0.00 O ATOM 0 H GLU A 49 -12.343 -15.034 -10.622 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.540 -16.832 -8.382 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.139 -15.634 -9.264 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.127 -17.289 -8.687 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.646 -15.264 -7.031 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.395 -15.159 -7.030 1.00 0.00 H new ATOM 809 N ASN A 50 -10.921 -18.016 -10.606 1.00 0.00 N ATOM 810 CA ASN A 50 -10.599 -19.059 -11.575 1.00 0.00 C ATOM 811 C ASN A 50 -11.459 -20.308 -11.332 1.00 0.00 C ATOM 812 O ASN A 50 -11.098 -21.165 -10.529 1.00 0.00 O ATOM 813 CB ASN A 50 -9.087 -19.366 -11.505 1.00 0.00 C ATOM 814 CG ASN A 50 -8.424 -19.241 -12.870 1.00 0.00 C ATOM 815 OD1 ASN A 50 -8.114 -18.139 -13.309 1.00 0.00 O ATOM 816 ND2 ASN A 50 -8.192 -20.356 -13.555 1.00 0.00 N ATOM 0 H ASN A 50 -10.089 -17.630 -10.159 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.830 -18.713 -12.583 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.609 -18.682 -10.804 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.938 -20.374 -11.119 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.745 -20.308 -14.471 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.461 -21.259 -13.165 1.00 0.00 H new ATOM 823 N GLU A 51 -12.610 -20.402 -12.001 1.00 0.00 N ATOM 824 CA GLU A 51 -13.601 -21.448 -11.855 1.00 0.00 C ATOM 825 C GLU A 51 -14.612 -21.285 -12.993 1.00 0.00 C ATOM 826 O GLU A 51 -14.498 -20.348 -13.781 1.00 0.00 O ATOM 827 CB GLU A 51 -14.289 -21.360 -10.476 1.00 0.00 C ATOM 828 CG GLU A 51 -14.413 -22.732 -9.797 1.00 0.00 C ATOM 829 CD GLU A 51 -13.075 -23.221 -9.246 1.00 0.00 C ATOM 830 OE1 GLU A 51 -12.724 -22.769 -8.135 1.00 0.00 O ATOM 831 OE2 GLU A 51 -12.447 -24.054 -9.935 1.00 0.00 O ATOM 0 H GLU A 51 -12.882 -19.707 -12.696 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.133 -22.431 -11.910 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -13.722 -20.688 -9.832 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.281 -20.925 -10.595 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.138 -22.671 -8.986 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.797 -23.458 -10.514 1.00 0.00 H new ATOM 838 N GLY A 52 -15.597 -22.184 -13.074 1.00 0.00 N ATOM 839 CA GLY A 52 -16.597 -22.174 -14.131 1.00 0.00 C ATOM 840 C GLY A 52 -17.520 -20.962 -14.029 1.00 0.00 C ATOM 841 O GLY A 52 -17.551 -20.120 -14.923 1.00 0.00 O ATOM 0 H GLY A 52 -15.719 -22.941 -12.401 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -16.100 -22.171 -15.101 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -17.190 -23.087 -14.079 1.00 0.00 H new ATOM 845 N PHE A 53 -18.300 -20.901 -12.948 1.00 0.00 N ATOM 846 CA PHE A 53 -19.257 -19.836 -12.682 1.00 0.00 C ATOM 847 C PHE A 53 -18.838 -19.098 -11.411 1.00 0.00 C ATOM 848 O PHE A 53 -19.094 -19.563 -10.304 1.00 0.00 O ATOM 849 CB PHE A 53 -20.688 -20.402 -12.605 1.00 0.00 C ATOM 850 CG PHE A 53 -20.935 -21.490 -11.569 1.00 0.00 C ATOM 851 CD1 PHE A 53 -20.595 -22.828 -11.845 1.00 0.00 C ATOM 852 CD2 PHE A 53 -21.487 -21.159 -10.315 1.00 0.00 C ATOM 853 CE1 PHE A 53 -20.744 -23.813 -10.852 1.00 0.00 C ATOM 854 CE2 PHE A 53 -21.623 -22.140 -9.319 1.00 0.00 C ATOM 855 CZ PHE A 53 -21.245 -23.467 -9.584 1.00 0.00 C ATOM 0 H PHE A 53 -18.280 -21.612 -12.217 1.00 0.00 H new ATOM 0 HA PHE A 53 -19.260 -19.115 -13.500 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -21.370 -19.577 -12.402 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -20.951 -20.799 -13.586 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -20.219 -23.099 -12.821 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -21.807 -20.146 -10.119 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -20.473 -24.837 -11.064 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -22.018 -21.874 -8.350 1.00 0.00 H new ATOM 0 HZ PHE A 53 -21.339 -24.220 -8.816 1.00 0.00 H new ATOM 865 N ARG A 54 -18.175 -17.948 -11.543 1.00 0.00 N ATOM 866 CA ARG A 54 -17.847 -17.121 -10.393 1.00 0.00 C ATOM 867 C ARG A 54 -17.449 -15.730 -10.881 1.00 0.00 C ATOM 868 O ARG A 54 -16.957 -15.599 -12.001 1.00 0.00 O ATOM 869 CB ARG A 54 -16.742 -17.781 -9.557 1.00 0.00 C ATOM 870 CG ARG A 54 -16.948 -17.530 -8.050 1.00 0.00 C ATOM 871 CD ARG A 54 -16.750 -18.815 -7.234 1.00 0.00 C ATOM 872 NE ARG A 54 -17.382 -18.701 -5.912 1.00 0.00 N ATOM 873 CZ ARG A 54 -17.549 -19.724 -5.064 1.00 0.00 C ATOM 874 NH1 ARG A 54 -16.944 -20.895 -5.291 1.00 0.00 N ATOM 875 NH2 ARG A 54 -18.333 -19.572 -3.992 1.00 0.00 N ATOM 0 H ARG A 54 -17.857 -17.573 -12.437 1.00 0.00 H new ATOM 0 HA ARG A 54 -18.715 -17.020 -9.742 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -16.730 -18.854 -9.750 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.771 -17.391 -9.863 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -16.247 -16.769 -7.708 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -17.951 -17.140 -7.879 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -17.175 -19.662 -7.773 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.685 -19.015 -7.116 1.00 0.00 H new ATOM 0 HE ARG A 54 -17.715 -17.782 -5.621 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.352 -21.012 -6.113 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.075 -21.671 -4.642 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.800 -18.681 -3.824 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.464 -20.347 -3.342 1.00 0.00 H new ATOM 889 N GLU A 55 -17.689 -14.708 -10.058 1.00 0.00 N ATOM 890 CA GLU A 55 -17.361 -13.317 -10.348 1.00 0.00 C ATOM 891 C GLU A 55 -16.152 -12.904 -9.499 1.00 0.00 C ATOM 892 O GLU A 55 -15.714 -13.663 -8.634 1.00 0.00 O ATOM 893 CB GLU A 55 -18.608 -12.452 -10.076 1.00 0.00 C ATOM 894 CG GLU A 55 -18.714 -11.184 -10.940 1.00 0.00 C ATOM 895 CD GLU A 55 -18.798 -11.505 -12.430 1.00 0.00 C ATOM 896 OE1 GLU A 55 -19.850 -12.042 -12.838 1.00 0.00 O ATOM 897 OE2 GLU A 55 -17.801 -11.217 -13.127 1.00 0.00 O ATOM 0 H GLU A 55 -18.129 -14.832 -9.146 1.00 0.00 H new ATOM 0 HA GLU A 55 -17.085 -13.178 -11.393 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -19.498 -13.061 -10.238 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -18.609 -12.160 -9.026 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -19.596 -10.617 -10.642 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.848 -10.548 -10.756 1.00 0.00 H new ATOM 904 N ILE A 56 -15.609 -11.712 -9.754 1.00 0.00 N ATOM 905 CA ILE A 56 -14.479 -11.131 -9.032 1.00 0.00 C ATOM 906 C ILE A 56 -14.663 -11.243 -7.512 1.00 0.00 C ATOM 907 O ILE A 56 -15.740 -10.947 -6.993 1.00 0.00 O ATOM 908 CB ILE A 56 -14.312 -9.665 -9.481 1.00 0.00 C ATOM 909 CG1 ILE A 56 -13.717 -9.632 -10.899 1.00 0.00 C ATOM 910 CG2 ILE A 56 -13.416 -8.859 -8.529 1.00 0.00 C ATOM 911 CD1 ILE A 56 -13.995 -8.312 -11.622 1.00 0.00 C ATOM 0 H ILE A 56 -15.958 -11.104 -10.495 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.571 -11.686 -9.269 1.00 0.00 H new ATOM 0 HB ILE A 56 -15.299 -9.202 -9.469 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -12.640 -9.791 -10.841 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -14.130 -10.455 -11.482 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -13.331 -7.834 -8.890 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -13.854 -8.857 -7.531 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -12.426 -9.313 -8.489 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -13.553 -8.343 -12.618 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -15.071 -8.163 -11.707 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -13.559 -7.489 -11.057 1.00 0.00 H new ATOM 923 N LYS A 57 -13.599 -11.633 -6.802 1.00 0.00 N ATOM 924 CA LYS A 57 -13.612 -11.763 -5.350 1.00 0.00 C ATOM 925 C LYS A 57 -13.391 -10.402 -4.687 1.00 0.00 C ATOM 926 O LYS A 57 -13.970 -10.113 -3.639 1.00 0.00 O ATOM 927 CB LYS A 57 -12.545 -12.773 -4.899 1.00 0.00 C ATOM 928 CG LYS A 57 -12.869 -13.402 -3.535 1.00 0.00 C ATOM 929 CD LYS A 57 -14.101 -14.323 -3.611 1.00 0.00 C ATOM 930 CE LYS A 57 -15.289 -13.814 -2.787 1.00 0.00 C ATOM 931 NZ LYS A 57 -15.071 -13.996 -1.341 1.00 0.00 N ATOM 0 H LYS A 57 -12.701 -11.868 -7.226 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.589 -12.134 -5.040 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.456 -13.561 -5.647 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.577 -12.274 -4.845 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.009 -13.973 -3.184 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.048 -12.614 -2.804 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.407 -14.424 -4.652 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.825 -15.318 -3.262 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.453 -12.758 -3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.193 -14.343 -3.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.896 -13.640 -0.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.940 -15.007 -1.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.223 -13.470 -1.049 1.00 0.00 H new ATOM 945 N GLY A 58 -12.570 -9.547 -5.304 1.00 0.00 N ATOM 946 CA GLY A 58 -12.327 -8.199 -4.829 1.00 0.00 C ATOM 947 C GLY A 58 -11.167 -7.569 -5.575 1.00 0.00 C ATOM 948 O GLY A 58 -10.705 -8.105 -6.581 1.00 0.00 O ATOM 0 H GLY A 58 -12.056 -9.781 -6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.224 -7.594 -4.963 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.112 -8.218 -3.761 1.00 0.00 H new ATOM 952 N TYR A 59 -10.708 -6.426 -5.069 1.00 0.00 N ATOM 953 CA TYR A 59 -9.477 -5.803 -5.517 1.00 0.00 C ATOM 954 C TYR A 59 -8.304 -6.437 -4.803 1.00 0.00 C ATOM 955 O TYR A 59 -8.475 -7.142 -3.811 1.00 0.00 O ATOM 956 CB TYR A 59 -9.493 -4.282 -5.246 1.00 0.00 C ATOM 957 CG TYR A 59 -9.995 -3.492 -6.432 1.00 0.00 C ATOM 958 CD1 TYR A 59 -9.317 -3.616 -7.653 1.00 0.00 C ATOM 959 CD2 TYR A 59 -11.124 -2.654 -6.335 1.00 0.00 C ATOM 960 CE1 TYR A 59 -9.762 -2.913 -8.785 1.00 0.00 C ATOM 961 CE2 TYR A 59 -11.560 -1.937 -7.463 1.00 0.00 C ATOM 962 CZ TYR A 59 -10.880 -2.073 -8.689 1.00 0.00 C ATOM 963 OH TYR A 59 -11.259 -1.334 -9.770 1.00 0.00 O ATOM 0 H TYR A 59 -11.187 -5.908 -4.333 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.383 -5.956 -6.592 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.125 -4.076 -4.382 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.486 -3.950 -4.991 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.449 -4.255 -7.724 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.652 -2.563 -5.397 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.244 -3.020 -9.727 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -12.416 -1.282 -7.390 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.052 -0.805 -9.543 1.00 0.00 H new ATOM 973 N GLU A 60 -7.109 -6.151 -5.308 1.00 0.00 N ATOM 974 CA GLU A 60 -5.859 -6.448 -4.665 1.00 0.00 C ATOM 975 C GLU A 60 -4.907 -5.294 -4.986 1.00 0.00 C ATOM 976 O GLU A 60 -5.098 -4.559 -5.952 1.00 0.00 O ATOM 977 CB GLU A 60 -5.324 -7.788 -5.187 1.00 0.00 C ATOM 978 CG GLU A 60 -4.721 -8.716 -4.118 1.00 0.00 C ATOM 979 CD GLU A 60 -3.307 -9.168 -4.469 1.00 0.00 C ATOM 980 OE1 GLU A 60 -2.493 -8.278 -4.799 1.00 0.00 O ATOM 981 OE2 GLU A 60 -3.074 -10.394 -4.421 1.00 0.00 O ATOM 0 H GLU A 60 -6.993 -5.689 -6.210 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.968 -6.543 -3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.137 -8.316 -5.686 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.563 -7.588 -5.942 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.706 -8.199 -3.159 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.360 -9.591 -3.999 1.00 0.00 H new ATOM 988 N TYR A 61 -3.859 -5.136 -4.193 1.00 0.00 N ATOM 989 CA TYR A 61 -2.802 -4.180 -4.447 1.00 0.00 C ATOM 990 C TYR A 61 -1.502 -4.917 -4.195 1.00 0.00 C ATOM 991 O TYR A 61 -1.423 -5.592 -3.170 1.00 0.00 O ATOM 992 CB TYR A 61 -2.956 -2.977 -3.514 1.00 0.00 C ATOM 993 CG TYR A 61 -4.361 -2.407 -3.441 1.00 0.00 C ATOM 994 CD1 TYR A 61 -4.897 -1.659 -4.505 1.00 0.00 C ATOM 995 CD2 TYR A 61 -5.167 -2.701 -2.330 1.00 0.00 C ATOM 996 CE1 TYR A 61 -6.218 -1.181 -4.423 1.00 0.00 C ATOM 997 CE2 TYR A 61 -6.473 -2.200 -2.241 1.00 0.00 C ATOM 998 CZ TYR A 61 -6.998 -1.433 -3.288 1.00 0.00 C ATOM 999 OH TYR A 61 -8.265 -0.941 -3.202 1.00 0.00 O ATOM 0 H TYR A 61 -3.720 -5.680 -3.341 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.831 -3.794 -5.466 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.645 -3.270 -2.511 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -2.276 -2.191 -3.842 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -4.298 -1.453 -5.380 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -4.777 -3.320 -1.535 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.634 -0.615 -5.243 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.073 -2.405 -1.367 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.650 -0.871 -4.100 1.00 0.00 H new ATOM 1009 N GLN A 62 -0.537 -4.820 -5.110 1.00 0.00 N ATOM 1010 CA GLN A 62 0.776 -5.435 -5.005 1.00 0.00 C ATOM 1011 C GLN A 62 1.786 -4.318 -4.754 1.00 0.00 C ATOM 1012 O GLN A 62 1.890 -3.383 -5.552 1.00 0.00 O ATOM 1013 CB GLN A 62 1.065 -6.196 -6.308 1.00 0.00 C ATOM 1014 CG GLN A 62 2.324 -7.076 -6.271 1.00 0.00 C ATOM 1015 CD GLN A 62 3.621 -6.289 -6.425 1.00 0.00 C ATOM 1016 OE1 GLN A 62 3.918 -5.843 -7.643 1.00 0.00 O flip ATOM 1017 NE2 GLN A 62 4.355 -6.094 -5.465 1.00 0.00 N flip ATOM 0 H GLN A 62 -0.658 -4.291 -5.974 1.00 0.00 H new ATOM 0 HA GLN A 62 0.834 -6.150 -4.185 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.206 -6.824 -6.544 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.166 -5.475 -7.119 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.349 -7.621 -5.327 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.262 -7.818 -7.067 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.097 -6.450 -4.545 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.225 -5.575 -5.585 1.00 0.00 H new ATOM 1026 N LEU A 63 2.510 -4.406 -3.635 1.00 0.00 N ATOM 1027 CA LEU A 63 3.484 -3.406 -3.247 1.00 0.00 C ATOM 1028 C LEU A 63 4.697 -4.058 -2.584 1.00 0.00 C ATOM 1029 O LEU A 63 4.592 -5.008 -1.812 1.00 0.00 O ATOM 1030 CB LEU A 63 2.816 -2.297 -2.418 1.00 0.00 C ATOM 1031 CG LEU A 63 1.907 -2.771 -1.274 1.00 0.00 C ATOM 1032 CD1 LEU A 63 2.606 -2.632 0.079 1.00 0.00 C ATOM 1033 CD2 LEU A 63 0.589 -2.003 -1.299 1.00 0.00 C ATOM 0 H LEU A 63 2.430 -5.180 -2.976 1.00 0.00 H new ATOM 0 HA LEU A 63 3.878 -2.909 -4.134 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.597 -1.664 -1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.227 -1.673 -3.090 1.00 0.00 H new ATOM 0 HG LEU A 63 1.690 -3.829 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.939 -2.975 0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.514 -3.235 0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.864 -1.587 0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.048 -2.347 -0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.786 -0.938 -1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.086 -2.175 -2.250 1.00 0.00 H new ATOM 1045 N TYR A 64 5.882 -3.577 -2.935 1.00 0.00 N ATOM 1046 CA TYR A 64 7.136 -4.220 -2.593 1.00 0.00 C ATOM 1047 C TYR A 64 7.807 -3.479 -1.429 1.00 0.00 C ATOM 1048 O TYR A 64 8.322 -2.372 -1.598 1.00 0.00 O ATOM 1049 CB TYR A 64 7.981 -4.236 -3.865 1.00 0.00 C ATOM 1050 CG TYR A 64 7.749 -5.425 -4.785 1.00 0.00 C ATOM 1051 CD1 TYR A 64 8.047 -6.727 -4.334 1.00 0.00 C ATOM 1052 CD2 TYR A 64 7.385 -5.228 -6.131 1.00 0.00 C ATOM 1053 CE1 TYR A 64 7.990 -7.816 -5.218 1.00 0.00 C ATOM 1054 CE2 TYR A 64 7.332 -6.321 -7.018 1.00 0.00 C ATOM 1055 CZ TYR A 64 7.634 -7.612 -6.562 1.00 0.00 C ATOM 1056 OH TYR A 64 7.641 -8.655 -7.440 1.00 0.00 O ATOM 0 H TYR A 64 5.997 -2.718 -3.472 1.00 0.00 H new ATOM 0 HA TYR A 64 6.995 -5.244 -2.246 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.784 -3.321 -4.424 1.00 0.00 H new ATOM 0 HB3 TYR A 64 9.034 -4.216 -3.582 1.00 0.00 H new ATOM 0 HD1 TYR A 64 8.321 -6.888 -3.302 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.146 -4.236 -6.484 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.220 -8.811 -4.865 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.058 -6.164 -8.051 1.00 0.00 H new ATOM 0 HH TYR A 64 7.368 -8.338 -8.326 1.00 0.00 H new ATOM 1066 N VAL A 65 7.786 -4.088 -0.236 1.00 0.00 N ATOM 1067 CA VAL A 65 8.323 -3.493 0.984 1.00 0.00 C ATOM 1068 C VAL A 65 9.791 -3.913 1.128 1.00 0.00 C ATOM 1069 O VAL A 65 10.090 -5.102 1.002 1.00 0.00 O ATOM 1070 CB VAL A 65 7.460 -3.902 2.189 1.00 0.00 C ATOM 1071 CG1 VAL A 65 8.045 -3.343 3.491 1.00 0.00 C ATOM 1072 CG2 VAL A 65 6.037 -3.348 2.030 1.00 0.00 C ATOM 0 H VAL A 65 7.390 -5.017 -0.095 1.00 0.00 H new ATOM 0 HA VAL A 65 8.291 -2.405 0.936 1.00 0.00 H new ATOM 0 HB VAL A 65 7.442 -4.991 2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.418 -3.645 4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.054 -3.731 3.633 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.080 -2.255 3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.434 -3.643 2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.075 -2.260 1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.591 -3.747 1.119 1.00 0.00 H new ATOM 1082 N TYR A 66 10.708 -2.963 1.365 1.00 0.00 N ATOM 1083 CA TYR A 66 12.146 -3.223 1.330 1.00 0.00 C ATOM 1084 C TYR A 66 12.710 -3.372 2.741 1.00 0.00 C ATOM 1085 O TYR A 66 13.526 -2.566 3.194 1.00 0.00 O ATOM 1086 CB TYR A 66 12.852 -2.116 0.535 1.00 0.00 C ATOM 1087 CG TYR A 66 14.214 -2.499 -0.019 1.00 0.00 C ATOM 1088 CD1 TYR A 66 14.356 -3.683 -0.756 1.00 0.00 C ATOM 1089 CD2 TYR A 66 15.332 -1.665 0.175 1.00 0.00 C ATOM 1090 CE1 TYR A 66 15.609 -4.069 -1.258 1.00 0.00 C ATOM 1091 CE2 TYR A 66 16.584 -2.037 -0.345 1.00 0.00 C ATOM 1092 CZ TYR A 66 16.724 -3.245 -1.053 1.00 0.00 C ATOM 1093 OH TYR A 66 17.936 -3.614 -1.551 1.00 0.00 O ATOM 0 H TYR A 66 10.469 -1.996 1.585 1.00 0.00 H new ATOM 0 HA TYR A 66 12.328 -4.170 0.822 1.00 0.00 H new ATOM 0 HB2 TYR A 66 12.210 -1.817 -0.293 1.00 0.00 H new ATOM 0 HB3 TYR A 66 12.969 -1.244 1.179 1.00 0.00 H new ATOM 0 HD1 TYR A 66 13.492 -4.305 -0.940 1.00 0.00 H new ATOM 0 HD2 TYR A 66 15.228 -0.740 0.723 1.00 0.00 H new ATOM 0 HE1 TYR A 66 15.713 -4.997 -1.800 1.00 0.00 H new ATOM 0 HE2 TYR A 66 17.440 -1.394 -0.201 1.00 0.00 H new ATOM 0 HH TYR A 66 18.592 -3.648 -0.824 1.00 0.00 H new ATOM 1103 N ALA A 67 12.271 -4.399 3.459 1.00 0.00 N ATOM 1104 CA ALA A 67 12.557 -4.547 4.878 1.00 0.00 C ATOM 1105 C ALA A 67 13.782 -5.425 5.068 1.00 0.00 C ATOM 1106 O ALA A 67 14.058 -6.281 4.238 1.00 0.00 O ATOM 1107 CB ALA A 67 11.331 -5.086 5.607 1.00 0.00 C ATOM 0 H ALA A 67 11.705 -5.154 3.071 1.00 0.00 H new ATOM 0 HA ALA A 67 12.785 -3.574 5.314 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.556 -5.193 6.668 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.499 -4.393 5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.060 -6.058 5.194 1.00 0.00 H new ATOM 1113 N SER A 68 14.548 -5.199 6.140 1.00 0.00 N ATOM 1114 CA SER A 68 15.800 -5.911 6.381 1.00 0.00 C ATOM 1115 C SER A 68 16.758 -5.885 5.170 1.00 0.00 C ATOM 1116 O SER A 68 17.616 -6.752 5.052 1.00 0.00 O ATOM 1117 CB SER A 68 15.507 -7.342 6.862 1.00 0.00 C ATOM 1118 OG SER A 68 16.602 -7.913 7.550 1.00 0.00 O ATOM 0 H SER A 68 14.315 -4.518 6.862 1.00 0.00 H new ATOM 0 HA SER A 68 16.331 -5.381 7.172 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.635 -7.331 7.517 1.00 0.00 H new ATOM 0 HB3 SER A 68 15.254 -7.966 6.005 1.00 0.00 H new ATOM 0 HG SER A 68 17.418 -7.797 7.020 1.00 0.00 H new ATOM 1124 N ASP A 69 16.623 -4.903 4.267 1.00 0.00 N ATOM 1125 CA ASP A 69 17.307 -4.873 2.976 1.00 0.00 C ATOM 1126 C ASP A 69 17.046 -6.149 2.155 1.00 0.00 C ATOM 1127 O ASP A 69 17.945 -6.673 1.503 1.00 0.00 O ATOM 1128 CB ASP A 69 18.803 -4.576 3.177 1.00 0.00 C ATOM 1129 CG ASP A 69 19.551 -4.338 1.865 1.00 0.00 C ATOM 1130 OD1 ASP A 69 19.070 -3.499 1.071 1.00 0.00 O ATOM 1131 OD2 ASP A 69 20.612 -4.977 1.690 1.00 0.00 O ATOM 0 H ASP A 69 16.022 -4.093 4.421 1.00 0.00 H new ATOM 0 HA ASP A 69 16.892 -4.060 2.380 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.910 -3.698 3.813 1.00 0.00 H new ATOM 0 HB3 ASP A 69 19.265 -5.410 3.705 1.00 0.00 H new ATOM 1136 N LYS A 70 15.803 -6.639 2.164 1.00 0.00 N ATOM 1137 CA LYS A 70 15.313 -7.672 1.266 1.00 0.00 C ATOM 1138 C LYS A 70 13.998 -7.163 0.686 1.00 0.00 C ATOM 1139 O LYS A 70 13.333 -6.314 1.280 1.00 0.00 O ATOM 1140 CB LYS A 70 15.064 -9.009 1.982 1.00 0.00 C ATOM 1141 CG LYS A 70 16.319 -9.850 2.263 1.00 0.00 C ATOM 1142 CD LYS A 70 16.960 -9.500 3.609 1.00 0.00 C ATOM 1143 CE LYS A 70 17.918 -10.589 4.111 1.00 0.00 C ATOM 1144 NZ LYS A 70 19.315 -10.304 3.740 1.00 0.00 N ATOM 0 H LYS A 70 15.093 -6.313 2.820 1.00 0.00 H new ATOM 0 HA LYS A 70 16.063 -7.862 0.499 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.563 -8.807 2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.377 -9.603 1.379 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.056 -10.908 2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.045 -9.694 1.465 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.503 -8.560 3.514 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.176 -9.342 4.350 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.839 -10.670 5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 70 17.622 -11.553 3.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.931 -11.062 4.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 19.395 -10.252 2.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 19.607 -9.397 4.156 1.00 0.00 H new ATOM 1158 N LEU A 71 13.630 -7.692 -0.478 1.00 0.00 N ATOM 1159 CA LEU A 71 12.393 -7.374 -1.157 1.00 0.00 C ATOM 1160 C LEU A 71 11.324 -8.321 -0.599 1.00 0.00 C ATOM 1161 O LEU A 71 11.403 -9.535 -0.774 1.00 0.00 O ATOM 1162 CB LEU A 71 12.638 -7.519 -2.674 1.00 0.00 C ATOM 1163 CG LEU A 71 12.467 -6.217 -3.470 1.00 0.00 C ATOM 1164 CD1 LEU A 71 13.456 -6.158 -4.637 1.00 0.00 C ATOM 1165 CD2 LEU A 71 11.047 -6.120 -4.006 1.00 0.00 C ATOM 0 H LEU A 71 14.203 -8.369 -0.981 1.00 0.00 H new ATOM 0 HA LEU A 71 12.046 -6.354 -0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 71 13.648 -7.898 -2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.951 -8.267 -3.071 1.00 0.00 H new ATOM 0 HG LEU A 71 12.665 -5.380 -2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.316 -5.227 -5.186 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.475 -6.203 -4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.282 -7.002 -5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.933 -5.194 -4.569 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.846 -6.969 -4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.343 -6.127 -3.174 1.00 0.00 H new ATOM 1177 N PHE A 72 10.333 -7.786 0.111 1.00 0.00 N ATOM 1178 CA PHE A 72 9.198 -8.550 0.592 1.00 0.00 C ATOM 1179 C PHE A 72 7.999 -8.157 -0.264 1.00 0.00 C ATOM 1180 O PHE A 72 7.578 -6.998 -0.253 1.00 0.00 O ATOM 1181 CB PHE A 72 8.998 -8.253 2.079 1.00 0.00 C ATOM 1182 CG PHE A 72 10.044 -8.891 2.974 1.00 0.00 C ATOM 1183 CD1 PHE A 72 10.051 -10.282 3.190 1.00 0.00 C ATOM 1184 CD2 PHE A 72 11.010 -8.088 3.598 1.00 0.00 C ATOM 1185 CE1 PHE A 72 11.014 -10.856 4.042 1.00 0.00 C ATOM 1186 CE2 PHE A 72 11.964 -8.657 4.465 1.00 0.00 C ATOM 1187 CZ PHE A 72 11.975 -10.045 4.672 1.00 0.00 C ATOM 0 H PHE A 72 10.301 -6.799 0.368 1.00 0.00 H new ATOM 0 HA PHE A 72 9.346 -9.626 0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.013 -7.174 2.230 1.00 0.00 H new ATOM 0 HB3 PHE A 72 8.011 -8.604 2.381 1.00 0.00 H new ATOM 0 HD1 PHE A 72 9.318 -10.908 2.703 1.00 0.00 H new ATOM 0 HD2 PHE A 72 11.023 -7.024 3.412 1.00 0.00 H new ATOM 0 HE1 PHE A 72 11.015 -11.922 4.212 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.683 -8.028 4.968 1.00 0.00 H new ATOM 0 HZ PHE A 72 12.721 -10.490 5.314 1.00 0.00 H new ATOM 1197 N ARG A 73 7.475 -9.116 -1.034 1.00 0.00 N ATOM 1198 CA ARG A 73 6.304 -8.902 -1.858 1.00 0.00 C ATOM 1199 C ARG A 73 5.125 -8.807 -0.909 1.00 0.00 C ATOM 1200 O ARG A 73 4.845 -9.779 -0.213 1.00 0.00 O ATOM 1201 CB ARG A 73 6.123 -10.065 -2.839 1.00 0.00 C ATOM 1202 CG ARG A 73 5.091 -9.701 -3.912 1.00 0.00 C ATOM 1203 CD ARG A 73 4.815 -10.922 -4.795 1.00 0.00 C ATOM 1204 NE ARG A 73 3.914 -10.585 -5.904 1.00 0.00 N ATOM 1205 CZ ARG A 73 3.553 -11.435 -6.876 1.00 0.00 C ATOM 1206 NH1 ARG A 73 3.998 -12.698 -6.872 1.00 0.00 N ATOM 1207 NH2 ARG A 73 2.744 -11.016 -7.854 1.00 0.00 N ATOM 0 H ARG A 73 7.858 -10.059 -1.096 1.00 0.00 H new ATOM 0 HA ARG A 73 6.397 -7.994 -2.454 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.077 -10.305 -3.309 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.799 -10.956 -2.301 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.167 -9.363 -3.443 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.460 -8.875 -4.521 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.755 -11.307 -5.191 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.373 -11.716 -4.193 1.00 0.00 H new ATOM 0 HE ARG A 73 3.536 -9.638 -5.937 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.616 -13.019 -6.126 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.719 -13.339 -7.615 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.405 -10.054 -7.858 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.466 -11.658 -8.596 1.00 0.00 H new ATOM 1221 N ALA A 74 4.473 -7.654 -0.820 1.00 0.00 N ATOM 1222 CA ALA A 74 3.439 -7.440 0.164 1.00 0.00 C ATOM 1223 C ALA A 74 2.171 -6.992 -0.546 1.00 0.00 C ATOM 1224 O ALA A 74 2.206 -6.029 -1.297 1.00 0.00 O ATOM 1225 CB ALA A 74 3.963 -6.426 1.184 1.00 0.00 C ATOM 0 H ALA A 74 4.650 -6.853 -1.426 1.00 0.00 H new ATOM 0 HA ALA A 74 3.186 -8.351 0.707 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.200 -6.245 1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.861 -6.820 1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.201 -5.491 0.678 1.00 0.00 H new ATOM 1231 N ASP A 75 1.052 -7.702 -0.355 1.00 0.00 N ATOM 1232 CA ASP A 75 -0.178 -7.378 -1.054 1.00 0.00 C ATOM 1233 C ASP A 75 -1.298 -7.088 -0.051 1.00 0.00 C ATOM 1234 O ASP A 75 -1.174 -7.402 1.130 1.00 0.00 O ATOM 1235 CB ASP A 75 -0.566 -8.518 -2.011 1.00 0.00 C ATOM 1236 CG ASP A 75 0.475 -8.904 -3.065 1.00 0.00 C ATOM 1237 OD1 ASP A 75 1.557 -8.280 -3.105 1.00 0.00 O ATOM 1238 OD2 ASP A 75 0.177 -9.858 -3.816 1.00 0.00 O ATOM 0 H ASP A 75 0.982 -8.500 0.277 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.020 -6.479 -1.651 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.793 -9.402 -1.415 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.485 -8.235 -2.525 1.00 0.00 H new ATOM 1243 N ILE A 76 -2.388 -6.467 -0.485 1.00 0.00 N ATOM 1244 CA ILE A 76 -3.626 -6.375 0.293 1.00 0.00 C ATOM 1245 C ILE A 76 -4.708 -6.782 -0.671 1.00 0.00 C ATOM 1246 O ILE A 76 -4.706 -6.260 -1.782 1.00 0.00 O ATOM 1247 CB ILE A 76 -3.871 -4.946 0.823 1.00 0.00 C ATOM 1248 CG1 ILE A 76 -3.175 -4.794 2.180 1.00 0.00 C ATOM 1249 CG2 ILE A 76 -5.357 -4.556 0.955 1.00 0.00 C ATOM 1250 CD1 ILE A 76 -4.013 -5.236 3.374 1.00 0.00 C ATOM 0 H ILE A 76 -2.442 -6.008 -1.394 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.591 -7.009 1.179 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.455 -4.266 0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.251 -5.372 2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.895 -3.749 2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.433 -3.537 1.334 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.837 -4.617 -0.022 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.852 -5.238 1.646 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.442 -5.094 4.292 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.926 -4.641 3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -4.271 -6.290 3.267 1.00 0.00 H new ATOM 1262 N SER A 77 -5.594 -7.690 -0.256 1.00 0.00 N ATOM 1263 CA SER A 77 -6.805 -8.021 -0.993 1.00 0.00 C ATOM 1264 C SER A 77 -7.974 -7.277 -0.363 1.00 0.00 C ATOM 1265 O SER A 77 -7.905 -6.931 0.816 1.00 0.00 O ATOM 1266 CB SER A 77 -7.033 -9.531 -0.992 1.00 0.00 C ATOM 1267 OG SER A 77 -8.162 -9.871 -1.770 1.00 0.00 O ATOM 0 H SER A 77 -5.486 -8.218 0.610 1.00 0.00 H new ATOM 0 HA SER A 77 -6.708 -7.713 -2.034 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.150 -10.036 -1.384 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.172 -9.881 0.031 1.00 0.00 H new ATOM 0 HG SER A 77 -8.288 -10.843 -1.757 1.00 0.00 H new ATOM 1273 N GLU A 78 -9.032 -7.036 -1.136 1.00 0.00 N ATOM 1274 CA GLU A 78 -10.265 -6.439 -0.689 1.00 0.00 C ATOM 1275 C GLU A 78 -11.434 -7.380 -0.955 1.00 0.00 C ATOM 1276 O GLU A 78 -11.261 -8.456 -1.520 1.00 0.00 O ATOM 1277 CB GLU A 78 -10.465 -5.099 -1.406 1.00 0.00 C ATOM 1278 CG GLU A 78 -9.348 -4.092 -1.105 1.00 0.00 C ATOM 1279 CD GLU A 78 -9.872 -2.657 -1.160 1.00 0.00 C ATOM 1280 OE1 GLU A 78 -10.724 -2.395 -2.039 1.00 0.00 O ATOM 1281 OE2 GLU A 78 -9.424 -1.852 -0.314 1.00 0.00 O ATOM 0 H GLU A 78 -9.042 -7.265 -2.130 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.218 -6.261 0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.513 -5.271 -2.481 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -11.423 -4.672 -1.108 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.930 -4.292 -0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.539 -4.215 -1.825 1.00 0.00 H new ATOM 1288 N ASP A 79 -12.630 -6.950 -0.544 1.00 0.00 N ATOM 1289 CA ASP A 79 -13.880 -7.665 -0.770 1.00 0.00 C ATOM 1290 C ASP A 79 -14.746 -6.917 -1.790 1.00 0.00 C ATOM 1291 O ASP A 79 -15.234 -5.825 -1.492 1.00 0.00 O ATOM 1292 CB ASP A 79 -14.623 -7.831 0.561 1.00 0.00 C ATOM 1293 CG ASP A 79 -15.726 -8.881 0.457 1.00 0.00 C ATOM 1294 OD1 ASP A 79 -16.351 -8.958 -0.623 1.00 0.00 O ATOM 1295 OD2 ASP A 79 -15.923 -9.595 1.464 1.00 0.00 O ATOM 0 H ASP A 79 -12.754 -6.075 -0.034 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.662 -8.653 -1.176 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.917 -8.119 1.340 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -15.055 -6.876 0.860 1.00 0.00 H new ATOM 1300 N TYR A 80 -14.973 -7.518 -2.964 1.00 0.00 N ATOM 1301 CA TYR A 80 -15.803 -6.963 -4.037 1.00 0.00 C ATOM 1302 C TYR A 80 -17.186 -6.509 -3.569 1.00 0.00 C ATOM 1303 O TYR A 80 -17.764 -5.600 -4.151 1.00 0.00 O ATOM 1304 CB TYR A 80 -15.988 -7.986 -5.168 1.00 0.00 C ATOM 1305 CG TYR A 80 -16.286 -7.388 -6.527 1.00 0.00 C ATOM 1306 CD1 TYR A 80 -15.374 -6.478 -7.103 1.00 0.00 C ATOM 1307 CD2 TYR A 80 -17.360 -7.872 -7.293 1.00 0.00 C ATOM 1308 CE1 TYR A 80 -15.547 -6.043 -8.425 1.00 0.00 C ATOM 1309 CE2 TYR A 80 -17.533 -7.435 -8.619 1.00 0.00 C ATOM 1310 CZ TYR A 80 -16.625 -6.529 -9.185 1.00 0.00 C ATOM 1311 OH TYR A 80 -16.768 -6.150 -10.486 1.00 0.00 O ATOM 0 H TYR A 80 -14.574 -8.427 -3.199 1.00 0.00 H new ATOM 0 HA TYR A 80 -15.264 -6.084 -4.392 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -15.084 -8.590 -5.243 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -16.800 -8.661 -4.898 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -14.539 -6.115 -6.523 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -18.053 -8.580 -6.863 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -14.854 -5.337 -8.858 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -18.367 -7.798 -9.202 1.00 0.00 H new ATOM 0 HH TYR A 80 -17.564 -6.577 -10.866 1.00 0.00 H new ATOM 1321 N LYS A 81 -17.710 -7.139 -2.512 1.00 0.00 N ATOM 1322 CA LYS A 81 -18.967 -6.767 -1.871 1.00 0.00 C ATOM 1323 C LYS A 81 -19.055 -5.263 -1.595 1.00 0.00 C ATOM 1324 O LYS A 81 -20.158 -4.714 -1.509 1.00 0.00 O ATOM 1325 CB LYS A 81 -19.048 -7.547 -0.549 1.00 0.00 C ATOM 1326 CG LYS A 81 -20.370 -7.427 0.220 1.00 0.00 C ATOM 1327 CD LYS A 81 -21.566 -7.781 -0.670 1.00 0.00 C ATOM 1328 CE LYS A 81 -22.790 -8.131 0.184 1.00 0.00 C ATOM 1329 NZ LYS A 81 -24.022 -8.110 -0.622 1.00 0.00 N ATOM 0 H LYS A 81 -17.258 -7.940 -2.071 1.00 0.00 H new ATOM 0 HA LYS A 81 -19.797 -7.010 -2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -18.867 -8.601 -0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -18.240 -7.209 0.100 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.350 -8.088 1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -20.483 -6.411 0.597 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -21.800 -6.941 -1.324 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -21.311 -8.624 -1.312 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -22.658 -9.118 0.627 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -22.878 -7.422 1.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -24.835 -8.350 -0.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -24.158 -7.161 -1.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -23.945 -8.804 -1.392 1.00 0.00 H new ATOM 1343 N THR A 82 -17.913 -4.621 -1.377 1.00 0.00 N ATOM 1344 CA THR A 82 -17.753 -3.270 -0.872 1.00 0.00 C ATOM 1345 C THR A 82 -16.300 -2.807 -1.109 1.00 0.00 C ATOM 1346 O THR A 82 -16.004 -2.281 -2.177 1.00 0.00 O ATOM 1347 CB THR A 82 -18.215 -3.262 0.599 1.00 0.00 C ATOM 1348 OG1 THR A 82 -19.624 -3.219 0.690 1.00 0.00 O ATOM 1349 CG2 THR A 82 -17.715 -2.060 1.384 1.00 0.00 C ATOM 0 H THR A 82 -17.014 -5.065 -1.563 1.00 0.00 H new ATOM 0 HA THR A 82 -18.371 -2.542 -1.398 1.00 0.00 H new ATOM 0 HB THR A 82 -17.800 -4.179 1.018 1.00 0.00 H new ATOM 0 HG1 THR A 82 -20.016 -3.598 -0.124 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.078 -2.119 2.410 1.00 0.00 H new ATOM 0 HG22 THR A 82 -16.625 -2.053 1.384 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.083 -1.144 0.921 1.00 0.00 H new ATOM 1357 N ARG A 83 -15.400 -2.980 -0.128 1.00 0.00 N ATOM 1358 CA ARG A 83 -14.022 -2.490 -0.131 1.00 0.00 C ATOM 1359 C ARG A 83 -13.326 -2.919 1.170 1.00 0.00 C ATOM 1360 O ARG A 83 -12.653 -2.119 1.820 1.00 0.00 O ATOM 1361 CB ARG A 83 -13.942 -0.956 -0.308 1.00 0.00 C ATOM 1362 CG ARG A 83 -14.595 -0.157 0.838 1.00 0.00 C ATOM 1363 CD ARG A 83 -13.662 0.943 1.369 1.00 0.00 C ATOM 1364 NE ARG A 83 -14.097 1.423 2.690 1.00 0.00 N ATOM 1365 CZ ARG A 83 -13.447 2.345 3.416 1.00 0.00 C ATOM 1366 NH1 ARG A 83 -12.424 3.024 2.888 1.00 0.00 N ATOM 1367 NH2 ARG A 83 -13.823 2.576 4.678 1.00 0.00 N ATOM 0 H ARG A 83 -15.629 -3.489 0.726 1.00 0.00 H new ATOM 0 HA ARG A 83 -13.512 -2.931 -0.987 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -12.895 -0.664 -0.390 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -14.423 -0.683 -1.247 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -15.523 0.292 0.485 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -14.858 -0.835 1.650 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.645 0.558 1.437 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -13.642 1.776 0.666 1.00 0.00 H new ATOM 0 HE ARG A 83 -14.952 1.027 3.081 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.133 2.843 1.927 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.934 3.724 3.446 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -14.599 2.053 5.083 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.333 3.275 5.236 1.00 0.00 H new ATOM 1381 N GLY A 84 -13.523 -4.171 1.597 1.00 0.00 N ATOM 1382 CA GLY A 84 -12.845 -4.679 2.786 1.00 0.00 C ATOM 1383 C GLY A 84 -11.328 -4.659 2.585 1.00 0.00 C ATOM 1384 O GLY A 84 -10.868 -4.345 1.493 1.00 0.00 O ATOM 0 H GLY A 84 -14.140 -4.842 1.140 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.112 -4.072 3.651 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.177 -5.696 2.995 1.00 0.00 H new ATOM 1388 N ARG A 85 -10.543 -5.020 3.603 1.00 0.00 N ATOM 1389 CA ARG A 85 -9.099 -5.164 3.486 1.00 0.00 C ATOM 1390 C ARG A 85 -8.680 -6.436 4.219 1.00 0.00 C ATOM 1391 O ARG A 85 -9.074 -6.633 5.368 1.00 0.00 O ATOM 1392 CB ARG A 85 -8.341 -3.927 4.012 1.00 0.00 C ATOM 1393 CG ARG A 85 -9.173 -2.835 4.705 1.00 0.00 C ATOM 1394 CD ARG A 85 -9.817 -3.303 6.020 1.00 0.00 C ATOM 1395 NE ARG A 85 -11.285 -3.318 5.925 1.00 0.00 N ATOM 1396 CZ ARG A 85 -12.112 -4.057 6.679 1.00 0.00 C ATOM 1397 NH1 ARG A 85 -11.630 -4.916 7.584 1.00 0.00 N ATOM 1398 NH2 ARG A 85 -13.431 -3.927 6.519 1.00 0.00 N ATOM 0 H ARG A 85 -10.900 -5.221 4.537 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.834 -5.243 2.432 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.581 -4.270 4.715 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.816 -3.470 3.173 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.534 -1.975 4.907 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.956 -2.498 4.025 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.457 -4.302 6.268 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.510 -2.643 6.832 1.00 0.00 H new ATOM 0 HE ARG A 85 -11.712 -2.713 5.224 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.622 -5.015 7.707 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -12.270 -5.472 8.151 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -13.799 -3.271 5.830 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -14.071 -4.483 7.086 1.00 0.00 H new ATOM 1412 N LYS A 86 -7.895 -7.292 3.557 1.00 0.00 N ATOM 1413 CA LYS A 86 -7.367 -8.526 4.111 1.00 0.00 C ATOM 1414 C LYS A 86 -5.852 -8.578 3.963 1.00 0.00 C ATOM 1415 O LYS A 86 -5.319 -8.433 2.860 1.00 0.00 O ATOM 1416 CB LYS A 86 -8.010 -9.753 3.454 1.00 0.00 C ATOM 1417 CG LYS A 86 -9.114 -10.379 4.315 1.00 0.00 C ATOM 1418 CD LYS A 86 -8.597 -10.915 5.666 1.00 0.00 C ATOM 1419 CE LYS A 86 -8.773 -9.932 6.841 1.00 0.00 C ATOM 1420 NZ LYS A 86 -9.478 -10.570 7.968 1.00 0.00 N ATOM 0 H LYS A 86 -7.605 -7.133 2.592 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.615 -8.544 5.172 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.427 -9.466 2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.240 -10.500 3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.889 -9.635 4.499 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.580 -11.194 3.762 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.119 -11.843 5.901 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.540 -11.161 5.567 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.797 -9.579 7.172 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.332 -9.058 6.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.582 -9.886 8.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.418 -10.885 7.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.931 -11.390 8.300 1.00 0.00 H new ATOM 1434 N LEU A 87 -5.196 -8.809 5.103 1.00 0.00 N ATOM 1435 CA LEU A 87 -3.760 -8.929 5.263 1.00 0.00 C ATOM 1436 C LEU A 87 -3.210 -9.979 4.297 1.00 0.00 C ATOM 1437 O LEU A 87 -3.412 -11.175 4.488 1.00 0.00 O ATOM 1438 CB LEU A 87 -3.467 -9.277 6.737 1.00 0.00 C ATOM 1439 CG LEU A 87 -2.041 -8.929 7.190 1.00 0.00 C ATOM 1440 CD1 LEU A 87 -1.892 -9.110 8.709 1.00 0.00 C ATOM 1441 CD2 LEU A 87 -1.006 -9.852 6.534 1.00 0.00 C ATOM 0 H LEU A 87 -5.691 -8.923 5.988 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.261 -7.990 5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.178 -8.749 7.372 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.635 -10.343 6.888 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.869 -7.893 6.899 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.874 -8.858 9.007 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.594 -8.454 9.224 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.102 -10.146 8.974 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.007 -9.579 6.875 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.214 -10.886 6.809 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.060 -9.747 5.450 1.00 0.00 H new ATOM 1453 N LEU A 88 -2.485 -9.513 3.280 1.00 0.00 N ATOM 1454 CA LEU A 88 -1.747 -10.331 2.325 1.00 0.00 C ATOM 1455 C LEU A 88 -0.321 -9.784 2.165 1.00 0.00 C ATOM 1456 O LEU A 88 0.380 -10.089 1.197 1.00 0.00 O ATOM 1457 CB LEU A 88 -2.549 -10.381 1.015 1.00 0.00 C ATOM 1458 CG LEU A 88 -3.222 -11.746 0.814 1.00 0.00 C ATOM 1459 CD1 LEU A 88 -4.529 -11.575 0.047 1.00 0.00 C ATOM 1460 CD2 LEU A 88 -2.291 -12.678 0.030 1.00 0.00 C ATOM 0 H LEU A 88 -2.394 -8.514 3.094 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.632 -11.357 2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.308 -9.599 1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.887 -10.174 0.174 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.431 -12.181 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.000 -12.548 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.199 -10.925 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.324 -11.130 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.776 -13.644 -0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.072 -12.239 -0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.362 -12.814 0.584 1.00 0.00 H new ATOM 1472 N ARG A 89 0.102 -8.900 3.077 1.00 0.00 N ATOM 1473 CA ARG A 89 1.448 -8.372 3.059 1.00 0.00 C ATOM 1474 C ARG A 89 2.411 -9.489 3.414 1.00 0.00 C ATOM 1475 O ARG A 89 2.027 -10.478 4.035 1.00 0.00 O ATOM 1476 CB ARG A 89 1.681 -7.162 3.986 1.00 0.00 C ATOM 1477 CG ARG A 89 0.646 -6.933 5.071 1.00 0.00 C ATOM 1478 CD ARG A 89 -0.624 -6.228 4.563 1.00 0.00 C ATOM 1479 NE ARG A 89 -0.375 -4.829 4.183 1.00 0.00 N ATOM 1480 CZ ARG A 89 -0.025 -4.361 2.970 1.00 0.00 C ATOM 1481 NH1 ARG A 89 0.144 -5.164 1.915 1.00 0.00 N ATOM 1482 NH2 ARG A 89 0.154 -3.051 2.803 1.00 0.00 N ATOM 0 H ARG A 89 -0.480 -8.542 3.834 1.00 0.00 H new ATOM 0 HA ARG A 89 1.620 -7.995 2.051 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.655 -7.279 4.462 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.734 -6.265 3.369 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.370 -7.893 5.508 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.091 -6.336 5.867 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.018 -6.770 3.704 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.389 -6.260 5.339 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.479 -4.134 4.923 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.007 -6.170 2.013 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.410 -4.771 1.012 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.026 -2.414 3.590 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.419 -2.685 1.889 1.00 0.00 H new ATOM 1496 N PHE A 90 3.679 -9.259 3.085 1.00 0.00 N ATOM 1497 CA PHE A 90 4.793 -10.042 3.597 1.00 0.00 C ATOM 1498 C PHE A 90 4.772 -11.453 3.011 1.00 0.00 C ATOM 1499 O PHE A 90 4.395 -12.419 3.673 1.00 0.00 O ATOM 1500 CB PHE A 90 4.764 -10.043 5.137 1.00 0.00 C ATOM 1501 CG PHE A 90 5.759 -9.131 5.805 1.00 0.00 C ATOM 1502 CD1 PHE A 90 7.009 -9.640 6.200 1.00 0.00 C ATOM 1503 CD2 PHE A 90 5.356 -7.851 6.218 1.00 0.00 C ATOM 1504 CE1 PHE A 90 7.852 -8.865 7.009 1.00 0.00 C ATOM 1505 CE2 PHE A 90 6.207 -7.069 7.010 1.00 0.00 C ATOM 1506 CZ PHE A 90 7.450 -7.582 7.409 1.00 0.00 C ATOM 0 H PHE A 90 3.962 -8.515 2.448 1.00 0.00 H new ATOM 0 HA PHE A 90 5.733 -9.587 3.286 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.763 -9.762 5.464 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.939 -11.061 5.486 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.319 -10.624 5.881 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.389 -7.469 5.925 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.809 -9.255 7.324 1.00 0.00 H new ATOM 0 HE2 PHE A 90 5.907 -6.076 7.312 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.102 -6.985 8.029 1.00 0.00 H new ATOM 1516 N ASN A 91 5.207 -11.573 1.762 1.00 0.00 N ATOM 1517 CA ASN A 91 5.249 -12.832 1.043 1.00 0.00 C ATOM 1518 C ASN A 91 6.510 -12.894 0.182 1.00 0.00 C ATOM 1519 O ASN A 91 7.216 -11.895 0.015 1.00 0.00 O ATOM 1520 CB ASN A 91 3.972 -12.972 0.209 1.00 0.00 C ATOM 1521 CG ASN A 91 3.688 -14.420 -0.170 1.00 0.00 C ATOM 1522 OD1 ASN A 91 3.941 -15.335 0.611 1.00 0.00 O ATOM 1523 ND2 ASN A 91 3.193 -14.663 -1.373 1.00 0.00 N ATOM 0 H ASN A 91 5.545 -10.782 1.215 1.00 0.00 H new ATOM 0 HA ASN A 91 5.292 -13.669 1.740 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.128 -12.573 0.771 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.064 -12.373 -0.697 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.015 -15.623 -1.667 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.990 -13.890 -2.007 1.00 0.00 H new ATOM 1530 N GLY A 92 6.799 -14.086 -0.346 1.00 0.00 N ATOM 1531 CA GLY A 92 8.049 -14.400 -1.018 1.00 0.00 C ATOM 1532 C GLY A 92 8.895 -15.280 -0.092 1.00 0.00 C ATOM 1533 O GLY A 92 8.480 -16.409 0.169 1.00 0.00 O ATOM 0 H GLY A 92 6.151 -14.873 -0.314 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.854 -14.918 -1.957 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.586 -13.484 -1.264 1.00 0.00 H new ATOM 1537 N PRO A 93 10.037 -14.812 0.441 1.00 0.00 N ATOM 1538 CA PRO A 93 10.641 -13.505 0.215 1.00 0.00 C ATOM 1539 C PRO A 93 11.180 -13.400 -1.214 1.00 0.00 C ATOM 1540 O PRO A 93 11.306 -14.414 -1.902 1.00 0.00 O ATOM 1541 CB PRO A 93 11.770 -13.411 1.247 1.00 0.00 C ATOM 1542 CG PRO A 93 12.203 -14.866 1.426 1.00 0.00 C ATOM 1543 CD PRO A 93 10.882 -15.627 1.300 1.00 0.00 C ATOM 0 HA PRO A 93 9.925 -12.691 0.326 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.590 -12.788 0.891 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.423 -12.976 2.184 1.00 0.00 H new ATOM 0 HG2 PRO A 93 12.921 -15.172 0.665 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.675 -15.032 2.394 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.040 -16.616 0.869 1.00 0.00 H new ATOM 0 HD3 PRO A 93 10.421 -15.774 2.277 1.00 0.00 H new ATOM 1551 N VAL A 94 11.471 -12.181 -1.671 1.00 0.00 N ATOM 1552 CA VAL A 94 11.947 -11.906 -3.020 1.00 0.00 C ATOM 1553 C VAL A 94 13.386 -11.373 -2.923 1.00 0.00 C ATOM 1554 O VAL A 94 13.631 -10.377 -2.242 1.00 0.00 O ATOM 1555 CB VAL A 94 10.974 -10.928 -3.707 1.00 0.00 C ATOM 1556 CG1 VAL A 94 11.508 -10.397 -5.044 1.00 0.00 C ATOM 1557 CG2 VAL A 94 9.617 -11.606 -3.922 1.00 0.00 C ATOM 0 H VAL A 94 11.379 -11.342 -1.098 1.00 0.00 H new ATOM 0 HA VAL A 94 11.972 -12.805 -3.636 1.00 0.00 H new ATOM 0 HB VAL A 94 10.864 -10.070 -3.043 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.780 -9.713 -5.481 1.00 0.00 H new ATOM 0 HG12 VAL A 94 12.447 -9.869 -4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.677 -11.231 -5.725 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.935 -10.909 -4.408 1.00 0.00 H new ATOM 0 HG22 VAL A 94 9.746 -12.486 -4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.204 -11.906 -2.959 1.00 0.00 H new ATOM 1567 N PRO A 95 14.370 -12.021 -3.567 1.00 0.00 N ATOM 1568 CA PRO A 95 15.732 -11.518 -3.565 1.00 0.00 C ATOM 1569 C PRO A 95 15.810 -10.249 -4.427 1.00 0.00 C ATOM 1570 O PRO A 95 15.034 -10.104 -5.373 1.00 0.00 O ATOM 1571 CB PRO A 95 16.586 -12.657 -4.125 1.00 0.00 C ATOM 1572 CG PRO A 95 15.620 -13.410 -5.041 1.00 0.00 C ATOM 1573 CD PRO A 95 14.262 -13.235 -4.359 1.00 0.00 C ATOM 0 HA PRO A 95 16.084 -11.235 -2.573 1.00 0.00 H new ATOM 0 HB2 PRO A 95 17.448 -12.279 -4.675 1.00 0.00 H new ATOM 0 HB3 PRO A 95 16.970 -13.299 -3.332 1.00 0.00 H new ATOM 0 HG2 PRO A 95 15.618 -12.995 -6.049 1.00 0.00 H new ATOM 0 HG3 PRO A 95 15.891 -14.462 -5.130 1.00 0.00 H new ATOM 0 HD2 PRO A 95 13.463 -13.152 -5.095 1.00 0.00 H new ATOM 0 HD3 PRO A 95 14.027 -14.093 -3.729 1.00 0.00 H new ATOM 1581 N PRO A 96 16.716 -9.312 -4.113 1.00 0.00 N ATOM 1582 CA PRO A 96 16.859 -8.081 -4.871 1.00 0.00 C ATOM 1583 C PRO A 96 17.458 -8.359 -6.257 1.00 0.00 C ATOM 1584 O PRO A 96 18.159 -9.355 -6.428 1.00 0.00 O ATOM 1585 CB PRO A 96 17.769 -7.190 -4.020 1.00 0.00 C ATOM 1586 CG PRO A 96 18.628 -8.198 -3.256 1.00 0.00 C ATOM 1587 CD PRO A 96 17.664 -9.359 -3.012 1.00 0.00 C ATOM 0 HA PRO A 96 15.901 -7.598 -5.060 1.00 0.00 H new ATOM 0 HB2 PRO A 96 18.377 -6.529 -4.637 1.00 0.00 H new ATOM 0 HB3 PRO A 96 17.195 -6.556 -3.344 1.00 0.00 H new ATOM 0 HG2 PRO A 96 19.496 -8.510 -3.837 1.00 0.00 H new ATOM 0 HG3 PRO A 96 19.003 -7.782 -2.321 1.00 0.00 H new ATOM 0 HD2 PRO A 96 18.194 -10.311 -2.990 1.00 0.00 H new ATOM 0 HD3 PRO A 96 17.157 -9.254 -2.053 1.00 0.00 H new ATOM 1595 N PRO A 97 17.195 -7.488 -7.247 1.00 0.00 N ATOM 1596 CA PRO A 97 17.724 -7.626 -8.595 1.00 0.00 C ATOM 1597 C PRO A 97 19.191 -7.178 -8.636 1.00 0.00 C ATOM 1598 O PRO A 97 20.061 -8.034 -8.370 1.00 0.00 O ATOM 1599 CB PRO A 97 16.803 -6.760 -9.463 1.00 0.00 C ATOM 1600 CG PRO A 97 16.377 -5.639 -8.514 1.00 0.00 C ATOM 1601 CD PRO A 97 16.297 -6.346 -7.161 1.00 0.00 C ATOM 1602 OXT PRO A 97 19.427 -5.987 -8.935 1.00 0.00 O ATOM 0 HA PRO A 97 17.733 -8.654 -8.956 1.00 0.00 H new ATOM 0 HB2 PRO A 97 17.324 -6.370 -10.338 1.00 0.00 H new ATOM 0 HB3 PRO A 97 15.946 -7.325 -9.828 1.00 0.00 H new ATOM 0 HG2 PRO A 97 17.101 -4.824 -8.501 1.00 0.00 H new ATOM 0 HG3 PRO A 97 15.418 -5.209 -8.802 1.00 0.00 H new ATOM 0 HD2 PRO A 97 16.594 -5.677 -6.354 1.00 0.00 H new ATOM 0 HD3 PRO A 97 15.277 -6.668 -6.949 1.00 0.00 H new TER 1610 PRO A 97