USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 0 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 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 71:sc= 0.247 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 18 ASN : amide:sc= -0.151 X(o=-0.15,f=-0.36) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.274) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0189 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 178:sc= 0.221 (180deg=0.22) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.669) USER MOD Single : A 59 THR OG1 : rot 180:sc=-0.00336 USER MOD Single : A 60 TYR OH : rot -88:sc= 1.7 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 13:sc= 0.179 USER MOD Single : A 69 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.401) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HE2:sc= -0.0869 X(o=-0.087,f=-0.52) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0384 USER MOD Single : A 78 GLN : amide:sc= -0.406 X(o=-0.41,f=-0.5) USER MOD Single : A 81 TYR OH : rot -103:sc= 0.0568 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 91:sc= 0.08 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 96 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0191) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 34 N ASN A 5 12.947 4.524 -10.579 1.00 0.00 N ATOM 35 CA ASN A 5 12.536 5.068 -9.247 1.00 0.00 C ATOM 36 C ASN A 5 11.508 4.095 -8.588 1.00 0.00 C ATOM 37 O ASN A 5 10.333 4.413 -8.363 1.00 0.00 O ATOM 38 CB ASN A 5 11.970 6.501 -9.383 1.00 0.00 C ATOM 39 CG ASN A 5 12.925 7.583 -9.929 1.00 0.00 C ATOM 40 OD1 ASN A 5 12.948 7.868 -11.127 1.00 0.00 O ATOM 41 ND2 ASN A 5 13.733 8.192 -9.073 1.00 0.00 N ATOM 0 HA ASN A 5 13.410 5.138 -8.599 1.00 0.00 H new ATOM 0 HB2 ASN A 5 11.097 6.460 -10.034 1.00 0.00 H new ATOM 0 HB3 ASN A 5 11.621 6.822 -8.402 1.00 0.00 H new ATOM 0 HD21 ASN A 5 14.383 8.905 -9.404 1.00 0.00 H new ATOM 0 HD22 ASN A 5 13.705 7.948 -8.083 1.00 0.00 H new ATOM 42 N ALA A 6 12.010 2.891 -8.301 1.00 0.00 N ATOM 43 CA ALA A 6 11.198 1.723 -7.877 1.00 0.00 C ATOM 44 C ALA A 6 11.966 0.842 -6.855 1.00 0.00 C ATOM 45 O ALA A 6 13.203 0.819 -6.814 1.00 0.00 O ATOM 46 CB ALA A 6 10.839 0.874 -9.120 1.00 0.00 C ATOM 0 H ALA A 6 13.008 2.686 -8.354 1.00 0.00 H new ATOM 0 HA ALA A 6 10.292 2.091 -7.395 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.242 0.015 -8.814 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.267 1.481 -9.822 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.754 0.528 -9.601 1.00 0.00 H new ATOM 47 N LEU A 7 11.195 0.100 -6.042 1.00 0.00 N ATOM 48 CA LEU A 7 11.738 -0.791 -4.989 1.00 0.00 C ATOM 49 C LEU A 7 11.377 -2.247 -5.360 1.00 0.00 C ATOM 50 O LEU A 7 10.214 -2.600 -5.583 1.00 0.00 O ATOM 51 CB LEU A 7 11.205 -0.451 -3.568 1.00 0.00 C ATOM 52 CG LEU A 7 11.383 1.007 -3.071 1.00 0.00 C ATOM 53 CD1 LEU A 7 10.836 1.171 -1.641 1.00 0.00 C ATOM 54 CD2 LEU A 7 12.829 1.543 -3.118 1.00 0.00 C ATOM 0 H LEU A 7 10.176 0.097 -6.092 1.00 0.00 H new ATOM 0 HA LEU A 7 12.818 -0.651 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.142 -0.689 -3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.698 -1.113 -2.856 1.00 0.00 H new ATOM 0 HG LEU A 7 10.810 1.604 -3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.973 2.202 -1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.775 0.924 -1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 7 11.373 0.504 -0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 7 12.849 2.569 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.468 0.921 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.193 1.518 -4.145 1.00 0.00 H new ATOM 55 N GLU A 8 12.418 -3.081 -5.348 1.00 0.00 N ATOM 56 CA GLU A 8 12.268 -4.561 -5.422 1.00 0.00 C ATOM 57 C GLU A 8 12.000 -5.095 -3.990 1.00 0.00 C ATOM 58 O GLU A 8 12.817 -4.956 -3.076 1.00 0.00 O ATOM 59 CB GLU A 8 13.488 -5.264 -6.061 1.00 0.00 C ATOM 60 CG GLU A 8 13.713 -4.940 -7.555 1.00 0.00 C ATOM 61 CD GLU A 8 14.818 -5.791 -8.188 1.00 0.00 C ATOM 62 OE1 GLU A 8 14.628 -7.018 -8.340 1.00 0.00 O ATOM 63 OE2 GLU A 8 15.882 -5.232 -8.542 1.00 0.00 O ATOM 0 H GLU A 8 13.387 -2.767 -5.288 1.00 0.00 H new ATOM 0 HA GLU A 8 11.428 -4.789 -6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.383 -4.985 -5.504 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.367 -6.342 -5.952 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.782 -5.097 -8.100 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.969 -3.885 -7.659 1.00 0.00 H new ATOM 64 N THR A 9 10.787 -5.636 -3.826 1.00 0.00 N ATOM 65 CA THR A 9 10.119 -5.756 -2.504 1.00 0.00 C ATOM 66 C THR A 9 9.760 -7.259 -2.338 1.00 0.00 C ATOM 67 O THR A 9 8.824 -7.756 -2.972 1.00 0.00 O ATOM 68 CB THR A 9 8.908 -4.766 -2.477 1.00 0.00 C ATOM 69 OG1 THR A 9 9.337 -3.436 -2.757 1.00 0.00 O ATOM 70 CG2 THR A 9 8.164 -4.701 -1.141 1.00 0.00 C ATOM 0 H THR A 9 10.233 -6.005 -4.599 1.00 0.00 H new ATOM 0 HA THR A 9 10.737 -5.474 -1.652 1.00 0.00 H new ATOM 0 HB THR A 9 8.231 -5.160 -3.235 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.591 -3.366 -3.701 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.341 -3.990 -1.217 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.770 -5.687 -0.896 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.850 -4.380 -0.358 1.00 0.00 H new ATOM 71 N TRP A 10 10.561 -7.980 -1.530 1.00 0.00 N ATOM 72 CA TRP A 10 10.624 -9.466 -1.581 1.00 0.00 C ATOM 73 C TRP A 10 9.835 -10.119 -0.414 1.00 0.00 C ATOM 74 O TRP A 10 9.971 -9.724 0.749 1.00 0.00 O ATOM 75 CB TRP A 10 12.101 -9.958 -1.572 1.00 0.00 C ATOM 76 CG TRP A 10 12.902 -9.619 -2.839 1.00 0.00 C ATOM 77 CD1 TRP A 10 13.859 -8.589 -2.957 1.00 0.00 C ATOM 78 CD2 TRP A 10 12.836 -10.210 -4.092 1.00 0.00 C ATOM 79 NE1 TRP A 10 14.392 -8.518 -4.255 1.00 0.00 N ATOM 80 CE2 TRP A 10 13.743 -9.528 -4.943 1.00 0.00 C ATOM 81 CE3 TRP A 10 12.060 -11.288 -4.584 1.00 0.00 C ATOM 82 CZ2 TRP A 10 13.876 -9.927 -6.296 1.00 0.00 C ATOM 83 CZ3 TRP A 10 12.214 -11.665 -5.918 1.00 0.00 C ATOM 84 CH2 TRP A 10 13.107 -10.994 -6.763 1.00 0.00 C ATOM 0 H TRP A 10 11.176 -7.563 -0.831 1.00 0.00 H new ATOM 0 HA TRP A 10 10.154 -9.775 -2.515 1.00 0.00 H new ATOM 0 HB2 TRP A 10 12.609 -9.523 -0.711 1.00 0.00 H new ATOM 0 HB3 TRP A 10 12.108 -11.039 -1.433 1.00 0.00 H new ATOM 0 HD1 TRP A 10 14.147 -7.934 -2.148 1.00 0.00 H new ATOM 0 HE1 TRP A 10 15.096 -7.870 -4.609 1.00 0.00 H new ATOM 0 HE3 TRP A 10 11.365 -11.806 -3.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 14.561 -9.414 -6.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 11.634 -12.489 -6.306 1.00 0.00 H new ATOM 0 HH2 TRP A 10 13.202 -11.307 -7.792 1.00 0.00 H new ATOM 85 N GLY A 11 9.056 -11.158 -0.755 1.00 0.00 N ATOM 86 CA GLY A 11 8.375 -12.023 0.236 1.00 0.00 C ATOM 87 C GLY A 11 8.669 -13.523 0.005 1.00 0.00 C ATOM 88 O GLY A 11 9.755 -13.913 -0.439 1.00 0.00 O ATOM 0 H GLY A 11 8.877 -11.426 -1.723 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.694 -11.743 1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.299 -11.854 0.185 1.00 0.00 H new ATOM 89 N ALA A 12 7.680 -14.356 0.366 1.00 0.00 N ATOM 90 CA ALA A 12 7.777 -15.840 0.257 1.00 0.00 C ATOM 91 C ALA A 12 6.371 -16.477 0.024 1.00 0.00 C ATOM 92 O ALA A 12 5.325 -15.836 0.190 1.00 0.00 O ATOM 93 CB ALA A 12 8.446 -16.396 1.538 1.00 0.00 C ATOM 0 H ALA A 12 6.789 -14.032 0.742 1.00 0.00 H new ATOM 0 HA ALA A 12 8.390 -16.102 -0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.521 -17.481 1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.443 -15.969 1.642 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.845 -16.130 2.407 1.00 0.00 H new ATOM 94 N LEU A 13 6.354 -17.783 -0.334 1.00 0.00 N ATOM 95 CA LEU A 13 5.091 -18.572 -0.417 1.00 0.00 C ATOM 96 C LEU A 13 4.678 -18.986 1.024 1.00 0.00 C ATOM 97 O LEU A 13 5.480 -19.581 1.759 1.00 0.00 O ATOM 98 CB LEU A 13 5.158 -19.870 -1.273 1.00 0.00 C ATOM 99 CG LEU A 13 5.381 -19.635 -2.780 1.00 0.00 C ATOM 100 CD1 LEU A 13 6.848 -19.363 -3.103 1.00 0.00 C ATOM 101 CD2 LEU A 13 4.857 -20.739 -3.714 1.00 0.00 C ATOM 0 H LEU A 13 7.192 -18.314 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 13 4.375 -17.917 -0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.964 -20.498 -0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.230 -20.426 -1.139 1.00 0.00 H new ATOM 0 HG LEU A 13 4.774 -18.752 -2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.961 -19.203 -4.175 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.180 -18.474 -2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.452 -20.217 -2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.067 -20.470 -4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.351 -21.681 -3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.781 -20.849 -3.579 1.00 0.00 H new ATOM 102 N GLY A 14 3.450 -18.649 1.434 1.00 0.00 N ATOM 103 CA GLY A 14 3.031 -18.750 2.853 1.00 0.00 C ATOM 104 C GLY A 14 3.405 -17.507 3.679 1.00 0.00 C ATOM 105 O GLY A 14 4.122 -17.656 4.672 1.00 0.00 O ATOM 0 H GLY A 14 2.722 -18.303 0.809 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.952 -18.898 2.898 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.493 -19.630 3.301 1.00 0.00 H new ATOM 106 N GLN A 15 2.970 -16.295 3.256 1.00 0.00 N ATOM 107 CA GLN A 15 3.499 -15.037 3.860 1.00 0.00 C ATOM 108 C GLN A 15 2.554 -13.836 3.588 1.00 0.00 C ATOM 109 O GLN A 15 2.148 -13.570 2.453 1.00 0.00 O ATOM 110 CB GLN A 15 4.968 -14.746 3.405 1.00 0.00 C ATOM 111 CG GLN A 15 5.964 -14.449 4.550 1.00 0.00 C ATOM 112 CD GLN A 15 6.001 -13.014 5.099 1.00 0.00 C ATOM 113 OE1 GLN A 15 5.109 -12.583 5.830 1.00 0.00 O ATOM 114 NE2 GLN A 15 7.047 -12.255 4.803 1.00 0.00 N ATOM 0 H GLN A 15 2.276 -16.157 2.522 1.00 0.00 H new ATOM 0 HA GLN A 15 3.530 -15.182 4.940 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.333 -15.604 2.840 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.959 -13.896 2.723 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.736 -15.121 5.378 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.965 -14.702 4.200 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.784 -12.616 4.197 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.115 -11.310 5.181 1.00 0.00 H new ATOM 115 N ASP A 16 2.256 -13.108 4.676 1.00 0.00 N ATOM 116 CA ASP A 16 1.365 -11.915 4.664 1.00 0.00 C ATOM 117 C ASP A 16 2.257 -10.639 4.648 1.00 0.00 C ATOM 118 O ASP A 16 3.104 -10.436 5.526 1.00 0.00 O ATOM 119 CB ASP A 16 0.427 -11.914 5.897 1.00 0.00 C ATOM 120 CG ASP A 16 -0.659 -13.004 5.996 1.00 0.00 C ATOM 121 OD1 ASP A 16 -0.739 -13.901 5.127 1.00 0.00 O ATOM 122 OD2 ASP A 16 -1.458 -12.947 6.958 1.00 0.00 O ATOM 0 H ASP A 16 2.625 -13.325 5.602 1.00 0.00 H new ATOM 0 HA ASP A 16 0.732 -11.936 3.777 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.051 -11.986 6.788 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.071 -10.945 5.934 1.00 0.00 H new ATOM 123 N ILE A 17 2.054 -9.801 3.622 1.00 0.00 N ATOM 124 CA ILE A 17 2.971 -8.674 3.267 1.00 0.00 C ATOM 125 C ILE A 17 2.206 -7.299 3.367 1.00 0.00 C ATOM 126 O ILE A 17 0.975 -7.253 3.369 1.00 0.00 O ATOM 127 CB ILE A 17 3.619 -8.905 1.847 1.00 0.00 C ATOM 128 CG1 ILE A 17 4.060 -10.350 1.464 1.00 0.00 C ATOM 129 CG2 ILE A 17 4.798 -7.930 1.601 1.00 0.00 C ATOM 130 CD1 ILE A 17 5.243 -10.945 2.231 1.00 0.00 C ATOM 0 H ILE A 17 1.247 -9.874 3.002 1.00 0.00 H new ATOM 0 HA ILE A 17 3.792 -8.641 3.983 1.00 0.00 H new ATOM 0 HB ILE A 17 2.775 -8.703 1.187 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.204 -11.011 1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.307 -10.358 0.402 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.223 -8.115 0.614 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.438 -6.903 1.655 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.564 -8.086 2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.444 -11.952 1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.125 -10.322 2.081 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.004 -10.985 3.294 1.00 0.00 H new ATOM 131 N ASN A 18 2.955 -6.176 3.437 1.00 0.00 N ATOM 132 CA ASN A 18 2.389 -4.800 3.496 1.00 0.00 C ATOM 133 C ASN A 18 2.927 -3.892 2.334 1.00 0.00 C ATOM 134 O ASN A 18 4.094 -4.008 1.945 1.00 0.00 O ATOM 135 CB ASN A 18 2.718 -4.220 4.905 1.00 0.00 C ATOM 136 CG ASN A 18 1.852 -3.022 5.334 1.00 0.00 C ATOM 137 OD1 ASN A 18 2.184 -1.865 5.076 1.00 0.00 O ATOM 138 ND2 ASN A 18 0.731 -3.280 5.994 1.00 0.00 N ATOM 0 H ASN A 18 3.975 -6.194 3.455 1.00 0.00 H new ATOM 0 HA ASN A 18 1.309 -4.831 3.353 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.605 -5.014 5.643 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.765 -3.917 4.921 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.129 -2.514 6.296 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.471 -4.245 6.200 1.00 0.00 H new ATOM 139 N LEU A 19 2.084 -2.963 1.820 1.00 0.00 N ATOM 140 CA LEU A 19 2.510 -1.884 0.880 1.00 0.00 C ATOM 141 C LEU A 19 2.392 -0.525 1.606 1.00 0.00 C ATOM 142 O LEU A 19 1.335 0.105 1.652 1.00 0.00 O ATOM 143 CB LEU A 19 1.766 -1.919 -0.498 1.00 0.00 C ATOM 144 CG LEU A 19 2.644 -2.334 -1.712 1.00 0.00 C ATOM 145 CD1 LEU A 19 3.673 -3.458 -1.532 1.00 0.00 C ATOM 146 CD2 LEU A 19 1.744 -2.725 -2.878 1.00 0.00 C ATOM 0 H LEU A 19 1.089 -2.936 2.042 1.00 0.00 H new ATOM 0 HA LEU A 19 3.552 -2.051 0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.927 -2.611 -0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.348 -0.931 -0.693 1.00 0.00 H new ATOM 0 HG LEU A 19 3.245 -1.439 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.200 -3.623 -2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.389 -3.176 -0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.163 -4.375 -1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.358 -3.016 -3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.111 -3.562 -2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.118 -1.877 -3.155 1.00 0.00 H new ATOM 147 N ASP A 20 3.539 -0.100 2.147 1.00 0.00 N ATOM 148 CA ASP A 20 3.707 1.195 2.830 1.00 0.00 C ATOM 149 C ASP A 20 4.319 2.231 1.833 1.00 0.00 C ATOM 150 O ASP A 20 4.676 1.947 0.682 1.00 0.00 O ATOM 151 CB ASP A 20 4.532 0.971 4.140 1.00 0.00 C ATOM 152 CG ASP A 20 6.002 0.527 3.993 1.00 0.00 C ATOM 153 OD1 ASP A 20 6.882 1.397 3.807 1.00 0.00 O ATOM 154 OD2 ASP A 20 6.272 -0.692 4.060 1.00 0.00 O ATOM 0 H ASP A 20 4.395 -0.654 2.124 1.00 0.00 H new ATOM 0 HA ASP A 20 2.753 1.620 3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.517 1.901 4.709 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.014 0.222 4.739 1.00 0.00 H new ATOM 155 N ILE A 21 4.414 3.461 2.336 1.00 0.00 N ATOM 156 CA ILE A 21 4.901 4.641 1.566 1.00 0.00 C ATOM 157 C ILE A 21 6.103 5.196 2.410 1.00 0.00 C ATOM 158 O ILE A 21 5.845 5.959 3.348 1.00 0.00 O ATOM 159 CB ILE A 21 3.750 5.680 1.299 1.00 0.00 C ATOM 160 CG1 ILE A 21 2.478 5.060 0.635 1.00 0.00 C ATOM 161 CG2 ILE A 21 4.261 6.871 0.448 1.00 0.00 C ATOM 162 CD1 ILE A 21 1.221 5.939 0.663 1.00 0.00 C ATOM 0 H ILE A 21 4.157 3.685 3.297 1.00 0.00 H new ATOM 0 HA ILE A 21 5.234 4.388 0.559 1.00 0.00 H new ATOM 0 HB ILE A 21 3.447 6.034 2.284 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.711 4.823 -0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.252 4.118 1.134 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.445 7.574 0.279 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.070 7.375 0.976 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.628 6.503 -0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.399 5.414 0.177 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.952 6.156 1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.418 6.872 0.135 1.00 0.00 H new ATOM 163 N PRO A 22 7.402 4.854 2.151 1.00 0.00 N ATOM 164 CA PRO A 22 8.531 5.249 3.033 1.00 0.00 C ATOM 165 C PRO A 22 9.140 6.637 2.694 1.00 0.00 C ATOM 166 O PRO A 22 8.984 7.181 1.595 1.00 0.00 O ATOM 167 CB PRO A 22 9.518 4.090 2.788 1.00 0.00 C ATOM 168 CG PRO A 22 9.323 3.733 1.318 1.00 0.00 C ATOM 169 CD PRO A 22 7.820 3.916 1.094 1.00 0.00 C ATOM 0 HA PRO A 22 8.239 5.382 4.075 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.545 4.393 2.991 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.302 3.240 3.436 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.907 4.384 0.667 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.637 2.710 1.110 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.612 4.317 0.102 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.289 2.968 1.172 1.00 0.00 H new ATOM 170 N SER A 23 9.879 7.177 3.677 1.00 0.00 N ATOM 171 CA SER A 23 10.700 8.419 3.545 1.00 0.00 C ATOM 172 C SER A 23 9.959 9.710 3.060 1.00 0.00 C ATOM 173 O SER A 23 10.495 10.493 2.269 1.00 0.00 O ATOM 174 CB SER A 23 12.016 8.125 2.769 1.00 0.00 C ATOM 175 OG SER A 23 12.776 7.094 3.391 1.00 0.00 O ATOM 0 H SER A 23 9.932 6.764 4.608 1.00 0.00 H new ATOM 0 HA SER A 23 10.951 8.697 4.569 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.778 7.834 1.746 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.615 9.034 2.711 1.00 0.00 H new ATOM 0 HG SER A 23 13.594 6.935 2.876 1.00 0.00 H new ATOM 176 N PHE A 24 8.727 9.928 3.564 1.00 0.00 N ATOM 177 CA PHE A 24 7.896 11.105 3.197 1.00 0.00 C ATOM 178 C PHE A 24 6.863 11.313 4.337 1.00 0.00 C ATOM 179 O PHE A 24 5.969 10.481 4.533 1.00 0.00 O ATOM 180 CB PHE A 24 7.223 10.956 1.791 1.00 0.00 C ATOM 181 CG PHE A 24 7.487 12.148 0.857 1.00 0.00 C ATOM 182 CD1 PHE A 24 6.640 13.265 0.867 1.00 0.00 C ATOM 183 CD2 PHE A 24 8.596 12.135 0.004 1.00 0.00 C ATOM 184 CE1 PHE A 24 6.900 14.347 0.028 1.00 0.00 C ATOM 185 CE2 PHE A 24 8.858 13.225 -0.823 1.00 0.00 C ATOM 186 CZ PHE A 24 8.008 14.329 -0.811 1.00 0.00 C ATOM 0 H PHE A 24 8.278 9.301 4.232 1.00 0.00 H new ATOM 0 HA PHE A 24 8.526 11.989 3.099 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.588 10.045 1.317 1.00 0.00 H new ATOM 0 HB3 PHE A 24 6.147 10.838 1.922 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.785 13.287 1.526 1.00 0.00 H new ATOM 0 HD2 PHE A 24 9.251 11.277 -0.013 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.239 15.201 0.030 1.00 0.00 H new ATOM 0 HE2 PHE A 24 9.720 13.214 -1.474 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.210 15.172 -1.455 1.00 0.00 H new ATOM 187 N GLN A 25 7.019 12.416 5.089 1.00 0.00 N ATOM 188 CA GLN A 25 6.241 12.679 6.331 1.00 0.00 C ATOM 189 C GLN A 25 5.374 13.958 6.158 1.00 0.00 C ATOM 190 O GLN A 25 5.895 15.076 6.098 1.00 0.00 O ATOM 191 CB GLN A 25 7.169 12.695 7.580 1.00 0.00 C ATOM 192 CG GLN A 25 8.331 13.720 7.626 1.00 0.00 C ATOM 193 CD GLN A 25 9.169 13.633 8.910 1.00 0.00 C ATOM 194 OE1 GLN A 25 10.093 12.825 9.018 1.00 0.00 O ATOM 195 NE2 GLN A 25 8.877 14.459 9.905 1.00 0.00 N ATOM 0 H GLN A 25 7.685 13.155 4.861 1.00 0.00 H new ATOM 0 HA GLN A 25 5.542 11.862 6.509 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.543 12.865 8.456 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.601 11.700 7.685 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.981 13.561 6.765 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.922 14.726 7.535 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.110 15.125 9.807 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.419 14.429 10.769 1.00 0.00 H new ATOM 196 N MET A 26 4.044 13.769 6.080 1.00 0.00 N ATOM 197 CA MET A 26 3.056 14.885 6.009 1.00 0.00 C ATOM 198 C MET A 26 2.332 15.047 7.378 1.00 0.00 C ATOM 199 O MET A 26 2.081 14.072 8.098 1.00 0.00 O ATOM 200 CB MET A 26 2.039 14.627 4.865 1.00 0.00 C ATOM 201 CG MET A 26 2.606 14.811 3.444 1.00 0.00 C ATOM 202 SD MET A 26 2.998 16.556 3.166 1.00 0.00 S ATOM 203 CE MET A 26 4.772 16.500 2.845 1.00 0.00 C ATOM 0 H MET A 26 3.615 12.844 6.064 1.00 0.00 H new ATOM 0 HA MET A 26 3.582 15.815 5.791 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.657 13.611 4.960 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.191 15.300 4.993 1.00 0.00 H new ATOM 0 HG2 MET A 26 3.501 14.202 3.318 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.881 14.469 2.705 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.140 17.509 2.658 1.00 0.00 H new ATOM 0 HE2 MET A 26 5.285 16.081 3.710 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.964 15.876 1.972 1.00 0.00 H new ATOM 204 N SER A 27 1.986 16.303 7.716 1.00 0.00 N ATOM 205 CA SER A 27 1.412 16.663 9.043 1.00 0.00 C ATOM 206 C SER A 27 0.001 16.072 9.344 1.00 0.00 C ATOM 207 O SER A 27 -0.128 15.286 10.287 1.00 0.00 O ATOM 208 CB SER A 27 1.507 18.193 9.269 1.00 0.00 C ATOM 209 OG SER A 27 0.735 18.935 8.327 1.00 0.00 O ATOM 0 H SER A 27 2.092 17.099 7.087 1.00 0.00 H new ATOM 0 HA SER A 27 2.032 16.167 9.789 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.168 18.429 10.278 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.550 18.502 9.203 1.00 0.00 H new ATOM 0 HG SER A 27 0.826 19.893 8.512 1.00 0.00 H new ATOM 210 N ASP A 28 -1.038 16.450 8.569 1.00 0.00 N ATOM 211 CA ASP A 28 -2.451 16.041 8.832 1.00 0.00 C ATOM 212 C ASP A 28 -3.264 15.813 7.523 1.00 0.00 C ATOM 213 O ASP A 28 -4.009 14.829 7.454 1.00 0.00 O ATOM 214 CB ASP A 28 -3.206 17.051 9.748 1.00 0.00 C ATOM 215 CG ASP A 28 -2.713 17.131 11.200 1.00 0.00 C ATOM 216 OD1 ASP A 28 -3.084 16.254 12.015 1.00 0.00 O ATOM 217 OD2 ASP A 28 -1.946 18.062 11.527 1.00 0.00 O ATOM 0 H ASP A 28 -0.931 17.044 7.746 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.376 15.089 9.358 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.131 18.043 9.303 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.263 16.785 9.757 1.00 0.00 H new ATOM 218 N ASP A 29 -3.189 16.723 6.526 1.00 0.00 N ATOM 219 CA ASP A 29 -4.165 16.783 5.396 1.00 0.00 C ATOM 220 C ASP A 29 -3.893 15.866 4.153 1.00 0.00 C ATOM 221 O ASP A 29 -4.189 16.271 3.027 1.00 0.00 O ATOM 222 CB ASP A 29 -4.397 18.286 5.046 1.00 0.00 C ATOM 223 CG ASP A 29 -3.223 19.062 4.412 1.00 0.00 C ATOM 224 OD1 ASP A 29 -2.346 19.549 5.159 1.00 0.00 O ATOM 225 OD2 ASP A 29 -3.180 19.185 3.167 1.00 0.00 O ATOM 0 H ASP A 29 -2.460 17.434 6.475 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.087 16.323 5.751 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.246 18.345 4.364 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.686 18.803 5.961 1.00 0.00 H new ATOM 226 N ILE A 30 -3.430 14.611 4.353 1.00 0.00 N ATOM 227 CA ILE A 30 -3.391 13.567 3.285 1.00 0.00 C ATOM 228 C ILE A 30 -4.509 12.528 3.585 1.00 0.00 C ATOM 229 O ILE A 30 -4.420 11.730 4.522 1.00 0.00 O ATOM 230 CB ILE A 30 -1.984 12.924 3.025 1.00 0.00 C ATOM 231 CG1 ILE A 30 -1.252 12.351 4.279 1.00 0.00 C ATOM 232 CG2 ILE A 30 -1.081 13.895 2.225 1.00 0.00 C ATOM 233 CD1 ILE A 30 -0.102 11.375 3.976 1.00 0.00 C ATOM 0 H ILE A 30 -3.073 14.287 5.252 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.587 14.055 2.330 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.189 12.037 2.426 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.857 13.183 4.861 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.984 11.842 4.906 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.109 13.431 2.055 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.549 14.121 1.267 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.948 14.818 2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.342 11.034 4.911 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.488 10.518 3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.656 11.881 3.378 1.00 0.00 H new ATOM 234 N ASP A 31 -5.568 12.572 2.759 1.00 0.00 N ATOM 235 CA ASP A 31 -6.706 11.613 2.819 1.00 0.00 C ATOM 236 C ASP A 31 -6.581 10.465 1.772 1.00 0.00 C ATOM 237 O ASP A 31 -6.775 9.295 2.115 1.00 0.00 O ATOM 238 CB ASP A 31 -8.029 12.415 2.640 1.00 0.00 C ATOM 239 CG ASP A 31 -9.305 11.641 3.009 1.00 0.00 C ATOM 240 OD1 ASP A 31 -9.645 11.575 4.210 1.00 0.00 O ATOM 241 OD2 ASP A 31 -9.965 11.095 2.098 1.00 0.00 O ATOM 0 H ASP A 31 -5.668 13.273 2.025 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.700 11.117 3.790 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.977 13.316 3.252 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.104 12.738 1.602 1.00 0.00 H new ATOM 242 N ASP A 32 -6.334 10.821 0.497 1.00 0.00 N ATOM 243 CA ASP A 32 -6.583 9.934 -0.669 1.00 0.00 C ATOM 244 C ASP A 32 -5.305 9.117 -1.012 1.00 0.00 C ATOM 245 O ASP A 32 -4.215 9.686 -1.136 1.00 0.00 O ATOM 246 CB ASP A 32 -6.999 10.806 -1.885 1.00 0.00 C ATOM 247 CG ASP A 32 -8.196 11.769 -1.742 1.00 0.00 C ATOM 248 OD1 ASP A 32 -9.089 11.529 -0.898 1.00 0.00 O ATOM 249 OD2 ASP A 32 -8.250 12.771 -2.491 1.00 0.00 O ATOM 0 H ASP A 32 -5.955 11.733 0.240 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.382 9.233 -0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.132 11.400 -2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.216 10.132 -2.714 1.00 0.00 H new ATOM 250 N ILE A 33 -5.451 7.783 -1.136 1.00 0.00 N ATOM 251 CA ILE A 33 -4.296 6.845 -1.272 1.00 0.00 C ATOM 252 C ILE A 33 -4.735 5.750 -2.288 1.00 0.00 C ATOM 253 O ILE A 33 -5.711 5.031 -2.053 1.00 0.00 O ATOM 254 CB ILE A 33 -3.843 6.238 0.108 1.00 0.00 C ATOM 255 CG1 ILE A 33 -3.384 7.287 1.170 1.00 0.00 C ATOM 256 CG2 ILE A 33 -2.783 5.108 -0.021 1.00 0.00 C ATOM 257 CD1 ILE A 33 -2.107 8.099 0.893 1.00 0.00 C ATOM 0 H ILE A 33 -6.359 7.319 -1.146 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.415 7.375 -1.634 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.766 5.795 0.483 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.202 7.993 1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.245 6.763 2.116 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.521 4.740 0.971 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.193 4.291 -0.615 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.891 5.500 -0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.923 8.782 1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.260 7.421 0.787 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.231 8.670 -0.027 1.00 0.00 H new ATOM 258 N LYS A 34 -3.958 5.600 -3.379 1.00 0.00 N ATOM 259 CA LYS A 34 -4.269 4.644 -4.476 1.00 0.00 C ATOM 260 C LYS A 34 -3.085 3.691 -4.732 1.00 0.00 C ATOM 261 O LYS A 34 -1.942 4.129 -4.855 1.00 0.00 O ATOM 262 CB LYS A 34 -4.631 5.482 -5.741 1.00 0.00 C ATOM 263 CG LYS A 34 -4.812 4.708 -7.075 1.00 0.00 C ATOM 264 CD LYS A 34 -5.611 5.451 -8.165 1.00 0.00 C ATOM 265 CE LYS A 34 -4.854 6.625 -8.811 1.00 0.00 C ATOM 266 NZ LYS A 34 -5.665 7.290 -9.847 1.00 0.00 N ATOM 0 H LYS A 34 -3.101 6.132 -3.530 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.112 4.009 -4.205 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.555 6.022 -5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.851 6.229 -5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.826 4.466 -7.472 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.311 3.763 -6.863 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.890 4.741 -8.943 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.537 5.826 -7.729 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.580 7.348 -8.043 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.926 6.261 -9.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.124 8.076 -10.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.906 6.605 -10.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.539 7.659 -9.420 1.00 0.00 H new ATOM 267 N TRP A 35 -3.418 2.396 -4.898 1.00 0.00 N ATOM 268 CA TRP A 35 -2.465 1.358 -5.358 1.00 0.00 C ATOM 269 C TRP A 35 -3.082 0.626 -6.592 1.00 0.00 C ATOM 270 O TRP A 35 -4.243 0.177 -6.619 1.00 0.00 O ATOM 271 CB TRP A 35 -2.070 0.373 -4.236 1.00 0.00 C ATOM 272 CG TRP A 35 -1.242 0.999 -3.104 1.00 0.00 C ATOM 273 CD1 TRP A 35 -1.690 1.478 -1.867 1.00 0.00 C ATOM 274 CD2 TRP A 35 0.115 1.090 -3.046 1.00 0.00 C ATOM 275 NE1 TRP A 35 -0.630 1.862 -1.020 1.00 0.00 N ATOM 276 CE2 TRP A 35 0.496 1.586 -1.776 1.00 0.00 C ATOM 277 CE3 TRP A 35 1.074 0.630 -3.960 1.00 0.00 C ATOM 278 CZ2 TRP A 35 1.865 1.610 -1.411 1.00 0.00 C ATOM 279 CZ3 TRP A 35 2.403 0.610 -3.569 1.00 0.00 C ATOM 280 CH2 TRP A 35 2.794 1.099 -2.325 1.00 0.00 C ATOM 0 H TRP A 35 -4.355 2.036 -4.718 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.533 1.842 -5.652 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -2.977 -0.057 -3.811 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -1.502 -0.448 -4.673 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.732 1.546 -1.592 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.681 2.250 -0.078 1.00 0.00 H new ATOM 0 HE3 TRP A 35 0.783 0.299 -4.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.181 2.009 -0.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 3.148 0.209 -4.240 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.841 1.084 -2.059 1.00 0.00 H new ATOM 281 N GLU A 36 -2.222 0.570 -7.619 1.00 0.00 N ATOM 282 CA GLU A 36 -2.603 0.446 -9.047 1.00 0.00 C ATOM 283 C GLU A 36 -1.555 -0.503 -9.691 1.00 0.00 C ATOM 284 O GLU A 36 -0.355 -0.210 -9.766 1.00 0.00 O ATOM 285 CB GLU A 36 -2.732 1.881 -9.640 1.00 0.00 C ATOM 286 CG GLU A 36 -1.468 2.771 -9.727 1.00 0.00 C ATOM 287 CD GLU A 36 -1.757 4.228 -10.095 1.00 0.00 C ATOM 288 OE1 GLU A 36 -2.099 4.509 -11.265 1.00 0.00 O ATOM 289 OE2 GLU A 36 -1.628 5.104 -9.209 1.00 0.00 O ATOM 0 H GLU A 36 -1.212 0.610 -7.483 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.576 -0.006 -9.239 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.138 1.786 -10.647 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.473 2.417 -9.047 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.951 2.745 -8.768 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.788 2.348 -10.467 1.00 0.00 H new ATOM 290 N LYS A 37 -2.050 -1.680 -10.110 1.00 0.00 N ATOM 291 CA LYS A 37 -1.227 -2.818 -10.578 1.00 0.00 C ATOM 292 C LYS A 37 -0.693 -2.567 -12.014 1.00 0.00 C ATOM 293 O LYS A 37 -1.487 -2.473 -12.955 1.00 0.00 O ATOM 294 CB LYS A 37 -2.167 -4.053 -10.515 1.00 0.00 C ATOM 295 CG LYS A 37 -1.526 -5.429 -10.794 1.00 0.00 C ATOM 296 CD LYS A 37 -2.472 -6.631 -10.565 1.00 0.00 C ATOM 297 CE LYS A 37 -3.807 -6.628 -11.344 1.00 0.00 C ATOM 298 NZ LYS A 37 -4.889 -5.882 -10.667 1.00 0.00 N ATOM 0 H LYS A 37 -3.051 -1.875 -10.135 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.340 -2.965 -9.961 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.621 -4.084 -9.525 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.974 -3.903 -11.232 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.174 -5.450 -11.825 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.650 -5.545 -10.156 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.931 -7.542 -10.822 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.700 -6.685 -9.501 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.641 -6.194 -12.330 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.129 -7.658 -11.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.806 -6.313 -10.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.742 -5.915 -9.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.881 -4.892 -10.986 1.00 0.00 H new ATOM 299 N THR A 38 0.638 -2.484 -12.185 1.00 0.00 N ATOM 300 CA THR A 38 1.244 -2.262 -13.538 1.00 0.00 C ATOM 301 C THR A 38 1.143 -3.483 -14.515 1.00 0.00 C ATOM 302 O THR A 38 1.044 -3.267 -15.725 1.00 0.00 O ATOM 303 CB THR A 38 2.696 -1.711 -13.474 1.00 0.00 C ATOM 304 OG1 THR A 38 3.569 -2.676 -12.905 1.00 0.00 O ATOM 305 CG2 THR A 38 2.865 -0.380 -12.716 1.00 0.00 C ATOM 0 H THR A 38 1.316 -2.564 -11.427 1.00 0.00 H new ATOM 0 HA THR A 38 0.613 -1.486 -13.972 1.00 0.00 H new ATOM 0 HB THR A 38 2.952 -1.503 -14.513 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.480 -2.315 -12.873 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.914 -0.084 -12.730 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.264 0.391 -13.197 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.537 -0.505 -11.684 1.00 0.00 H new ATOM 306 N SER A 39 1.147 -4.738 -14.005 1.00 0.00 N ATOM 307 CA SER A 39 0.990 -5.963 -14.836 1.00 0.00 C ATOM 308 C SER A 39 -0.369 -6.096 -15.592 1.00 0.00 C ATOM 309 O SER A 39 -0.335 -6.399 -16.788 1.00 0.00 O ATOM 310 CB SER A 39 1.278 -7.196 -13.951 1.00 0.00 C ATOM 311 OG SER A 39 1.376 -8.378 -14.737 1.00 0.00 O ATOM 0 H SER A 39 1.259 -4.933 -13.010 1.00 0.00 H new ATOM 0 HA SER A 39 1.715 -5.887 -15.646 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.206 -7.044 -13.400 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.484 -7.311 -13.213 1.00 0.00 H new ATOM 0 HG SER A 39 1.560 -9.144 -14.154 1.00 0.00 H new ATOM 312 N ASP A 40 -1.532 -5.901 -14.926 1.00 0.00 N ATOM 313 CA ASP A 40 -2.868 -6.021 -15.586 1.00 0.00 C ATOM 314 C ASP A 40 -3.780 -4.793 -15.271 1.00 0.00 C ATOM 315 O ASP A 40 -4.891 -4.931 -14.741 1.00 0.00 O ATOM 316 CB ASP A 40 -3.526 -7.394 -15.256 1.00 0.00 C ATOM 317 CG ASP A 40 -2.824 -8.619 -15.859 1.00 0.00 C ATOM 318 OD1 ASP A 40 -3.017 -8.893 -17.064 1.00 0.00 O ATOM 319 OD2 ASP A 40 -2.071 -9.306 -15.134 1.00 0.00 O ATOM 0 H ASP A 40 -1.579 -5.661 -13.936 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.726 -6.002 -16.666 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.559 -7.511 -14.173 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.558 -7.378 -15.607 1.00 0.00 H new ATOM 320 N LYS A 41 -3.339 -3.590 -15.693 1.00 0.00 N ATOM 321 CA LYS A 41 -4.198 -2.393 -15.887 1.00 0.00 C ATOM 322 C LYS A 41 -4.580 -1.689 -14.549 1.00 0.00 C ATOM 323 O LYS A 41 -5.672 -1.911 -14.025 1.00 0.00 O ATOM 324 CB LYS A 41 -5.391 -2.658 -16.857 1.00 0.00 C ATOM 325 CG LYS A 41 -6.023 -1.375 -17.456 1.00 0.00 C ATOM 326 CD LYS A 41 -7.110 -1.654 -18.516 1.00 0.00 C ATOM 327 CE LYS A 41 -7.670 -0.363 -19.144 1.00 0.00 C ATOM 328 NZ LYS A 41 -8.696 -0.650 -20.165 1.00 0.00 N ATOM 0 H LYS A 41 -2.359 -3.415 -15.914 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.588 -1.653 -16.405 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.047 -3.294 -17.672 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.162 -3.214 -16.323 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.458 -0.785 -16.650 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.236 -0.769 -17.906 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.693 -2.285 -19.301 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.925 -2.214 -18.057 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.100 0.264 -18.363 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.856 0.204 -19.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.048 0.244 -20.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.279 -1.227 -20.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.485 -1.169 -19.728 1.00 0.00 H new ATOM 329 N LYS A 42 -3.664 -0.806 -14.099 1.00 0.00 N ATOM 330 CA LYS A 42 -3.752 0.122 -12.938 1.00 0.00 C ATOM 331 C LYS A 42 -5.135 0.493 -12.328 1.00 0.00 C ATOM 332 O LYS A 42 -5.688 1.579 -12.520 1.00 0.00 O ATOM 333 CB LYS A 42 -2.897 1.362 -13.356 1.00 0.00 C ATOM 334 CG LYS A 42 -1.367 1.103 -13.340 1.00 0.00 C ATOM 335 CD LYS A 42 -0.488 2.286 -13.786 1.00 0.00 C ATOM 336 CE LYS A 42 -0.551 2.661 -15.281 1.00 0.00 C ATOM 337 NZ LYS A 42 0.066 1.649 -16.163 1.00 0.00 N ATOM 0 H LYS A 42 -2.766 -0.711 -14.574 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.377 -0.419 -12.069 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.193 1.674 -14.358 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.123 2.190 -12.684 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.075 0.817 -12.329 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.154 0.251 -13.986 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.771 3.162 -13.202 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.547 2.056 -13.535 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.593 2.799 -15.570 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.050 3.617 -15.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.009 1.959 -17.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.068 1.534 -15.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.427 0.741 -16.047 1.00 0.00 H new ATOM 338 N LYS A 43 -5.621 -0.482 -11.547 1.00 0.00 N ATOM 339 CA LYS A 43 -6.845 -0.396 -10.729 1.00 0.00 C ATOM 340 C LYS A 43 -6.918 -1.793 -10.058 1.00 0.00 C ATOM 341 O LYS A 43 -7.537 -2.718 -10.599 1.00 0.00 O ATOM 342 CB LYS A 43 -8.137 -0.047 -11.531 1.00 0.00 C ATOM 343 CG LYS A 43 -9.376 0.202 -10.638 1.00 0.00 C ATOM 344 CD LYS A 43 -10.676 0.408 -11.439 1.00 0.00 C ATOM 345 CE LYS A 43 -11.866 0.801 -10.541 1.00 0.00 C ATOM 346 NZ LYS A 43 -13.082 1.039 -11.343 1.00 0.00 N ATOM 0 H LYS A 43 -5.157 -1.387 -11.463 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.794 0.427 -10.016 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.951 0.842 -12.134 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.356 -0.861 -12.222 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.504 -0.644 -9.963 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.197 1.080 -10.018 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.518 1.184 -12.188 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.917 -0.509 -11.976 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.055 0.010 -9.815 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.618 1.699 -9.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.875 1.269 -10.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.918 1.832 -11.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.311 0.184 -11.889 1.00 0.00 H new ATOM 347 N ILE A 44 -6.312 -1.935 -8.864 1.00 0.00 N ATOM 348 CA ILE A 44 -6.734 -2.976 -7.886 1.00 0.00 C ATOM 349 C ILE A 44 -7.676 -2.280 -6.863 1.00 0.00 C ATOM 350 O ILE A 44 -8.855 -2.651 -6.820 1.00 0.00 O ATOM 351 CB ILE A 44 -5.565 -3.869 -7.339 1.00 0.00 C ATOM 352 CG1 ILE A 44 -5.993 -5.320 -6.969 1.00 0.00 C ATOM 353 CG2 ILE A 44 -4.703 -3.239 -6.220 1.00 0.00 C ATOM 354 CD1 ILE A 44 -7.029 -5.500 -5.848 1.00 0.00 C ATOM 0 H ILE A 44 -5.536 -1.353 -8.548 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.312 -3.766 -8.365 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.909 -3.932 -8.208 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.388 -5.792 -7.869 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.096 -5.872 -6.687 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.927 -3.943 -5.919 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.240 -2.324 -6.589 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.334 -3.006 -5.362 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.227 -6.562 -5.703 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.642 -5.073 -4.923 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.954 -4.992 -6.122 1.00 0.00 H new ATOM 355 N ALA A 45 -7.213 -1.272 -6.077 1.00 0.00 N ATOM 356 CA ALA A 45 -8.109 -0.552 -5.139 1.00 0.00 C ATOM 357 C ALA A 45 -7.593 0.892 -4.935 1.00 0.00 C ATOM 358 O ALA A 45 -6.438 1.229 -5.229 1.00 0.00 O ATOM 359 CB ALA A 45 -8.240 -1.386 -3.853 1.00 0.00 C ATOM 0 H ALA A 45 -6.246 -0.947 -6.074 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.118 -0.441 -5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.896 -0.871 -3.151 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.661 -2.362 -4.094 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.256 -1.516 -3.402 1.00 0.00 H new ATOM 360 N GLN A 46 -8.468 1.765 -4.412 1.00 0.00 N ATOM 361 CA GLN A 46 -8.116 3.181 -4.156 1.00 0.00 C ATOM 362 C GLN A 46 -9.088 3.843 -3.143 1.00 0.00 C ATOM 363 O GLN A 46 -10.205 3.383 -2.875 1.00 0.00 O ATOM 364 CB GLN A 46 -8.053 3.975 -5.511 1.00 0.00 C ATOM 365 CG GLN A 46 -9.325 4.103 -6.393 1.00 0.00 C ATOM 366 CD GLN A 46 -10.229 5.303 -6.065 1.00 0.00 C ATOM 367 OE1 GLN A 46 -9.923 6.444 -6.412 1.00 0.00 O ATOM 368 NE2 GLN A 46 -11.354 5.083 -5.406 1.00 0.00 N ATOM 0 H GLN A 46 -9.425 1.521 -4.156 1.00 0.00 H new ATOM 0 HA GLN A 46 -7.128 3.210 -3.697 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -7.715 4.985 -5.280 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.279 3.512 -6.123 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.019 4.173 -7.437 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.911 3.189 -6.294 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.601 4.135 -5.122 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.974 5.861 -5.182 1.00 0.00 H new ATOM 369 N PHE A 47 -8.638 5.007 -2.655 1.00 0.00 N ATOM 370 CA PHE A 47 -9.504 6.014 -1.996 1.00 0.00 C ATOM 371 C PHE A 47 -9.277 7.330 -2.735 1.00 0.00 C ATOM 372 O PHE A 47 -8.130 7.794 -2.839 1.00 0.00 O ATOM 373 CB PHE A 47 -9.132 6.280 -0.513 1.00 0.00 C ATOM 374 CG PHE A 47 -9.357 5.068 0.364 1.00 0.00 C ATOM 375 CD1 PHE A 47 -10.630 4.774 0.853 1.00 0.00 C ATOM 376 CD2 PHE A 47 -8.293 4.201 0.601 1.00 0.00 C ATOM 377 CE1 PHE A 47 -10.828 3.625 1.619 1.00 0.00 C ATOM 378 CE2 PHE A 47 -8.500 3.045 1.339 1.00 0.00 C ATOM 379 CZ PHE A 47 -9.763 2.756 1.858 1.00 0.00 C ATOM 0 H PHE A 47 -7.658 5.285 -2.703 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.528 5.641 -2.024 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.086 6.580 -0.452 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.725 7.113 -0.136 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -11.459 5.433 0.640 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.311 4.428 0.212 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.804 3.408 2.026 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.679 2.365 1.513 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.916 1.861 2.443 1.00 0.00 H new ATOM 380 N ARG A 48 -10.379 7.970 -3.170 1.00 0.00 N ATOM 381 CA ARG A 48 -10.319 9.385 -3.588 1.00 0.00 C ATOM 382 C ARG A 48 -11.712 10.083 -3.527 1.00 0.00 C ATOM 383 O ARG A 48 -12.739 9.488 -3.861 1.00 0.00 O ATOM 384 CB ARG A 48 -9.671 9.501 -5.005 1.00 0.00 C ATOM 385 CG ARG A 48 -9.212 10.910 -5.447 1.00 0.00 C ATOM 386 CD ARG A 48 -8.541 10.967 -6.838 1.00 0.00 C ATOM 387 NE ARG A 48 -9.413 10.526 -7.959 1.00 0.00 N ATOM 388 CZ ARG A 48 -10.357 11.283 -8.552 1.00 0.00 C ATOM 389 NH1 ARG A 48 -10.618 12.546 -8.223 1.00 0.00 N ATOM 390 NH2 ARG A 48 -11.067 10.737 -9.521 1.00 0.00 N ATOM 0 H ARG A 48 -11.302 7.542 -3.241 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.687 9.916 -2.876 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -8.808 8.836 -5.040 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.388 9.131 -5.738 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -10.076 11.574 -5.449 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -8.513 11.298 -4.706 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.214 11.989 -7.029 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.647 10.344 -6.822 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.287 9.575 -8.306 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -10.088 12.999 -7.479 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.348 13.061 -8.715 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.893 9.771 -9.799 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -11.790 11.281 -9.992 1.00 0.00 H new ATOM 391 N LYS A 49 -11.689 11.385 -3.161 1.00 0.00 N ATOM 392 CA LYS A 49 -12.708 12.431 -3.461 1.00 0.00 C ATOM 393 C LYS A 49 -14.014 12.075 -4.243 1.00 0.00 C ATOM 394 O LYS A 49 -13.979 11.583 -5.374 1.00 0.00 O ATOM 395 CB LYS A 49 -11.943 13.603 -4.156 1.00 0.00 C ATOM 396 CG LYS A 49 -12.710 14.916 -4.469 1.00 0.00 C ATOM 397 CD LYS A 49 -13.439 15.612 -3.300 1.00 0.00 C ATOM 398 CE LYS A 49 -12.527 16.083 -2.153 1.00 0.00 C ATOM 399 NZ LYS A 49 -13.321 16.657 -1.053 1.00 0.00 N ATOM 0 H LYS A 49 -10.914 11.762 -2.615 1.00 0.00 H new ATOM 0 HA LYS A 49 -13.148 12.665 -2.492 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.091 13.861 -3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.541 13.224 -5.096 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.001 15.627 -4.894 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.446 14.699 -5.243 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.981 16.474 -3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.182 14.925 -2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.938 15.244 -1.783 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.822 16.827 -2.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.685 16.968 -0.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.864 17.472 -1.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.976 15.938 -0.685 1.00 0.00 H new ATOM 400 N GLU A 50 -15.142 12.431 -3.609 1.00 0.00 N ATOM 401 CA GLU A 50 -16.511 12.421 -4.213 1.00 0.00 C ATOM 402 C GLU A 50 -17.023 10.971 -4.426 1.00 0.00 C ATOM 403 O GLU A 50 -16.993 10.461 -5.550 1.00 0.00 O ATOM 404 CB GLU A 50 -16.636 13.363 -5.455 1.00 0.00 C ATOM 405 CG GLU A 50 -18.066 13.791 -5.876 1.00 0.00 C ATOM 406 CD GLU A 50 -18.891 12.717 -6.600 1.00 0.00 C ATOM 407 OE1 GLU A 50 -18.571 12.389 -7.764 1.00 0.00 O ATOM 408 OE2 GLU A 50 -19.859 12.193 -6.006 1.00 0.00 O ATOM 0 H GLU A 50 -15.142 12.744 -2.638 1.00 0.00 H new ATOM 0 HA GLU A 50 -17.200 12.864 -3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -16.058 14.265 -5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -16.168 12.866 -6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -18.610 14.103 -4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -17.989 14.664 -6.524 1.00 0.00 H new ATOM 409 N LYS A 51 -17.452 10.334 -3.319 1.00 0.00 N ATOM 410 CA LYS A 51 -17.806 8.884 -3.223 1.00 0.00 C ATOM 411 C LYS A 51 -17.296 7.891 -4.304 1.00 0.00 C ATOM 412 O LYS A 51 -17.964 7.536 -5.279 1.00 0.00 O ATOM 413 CB LYS A 51 -19.266 8.649 -2.798 1.00 0.00 C ATOM 414 CG LYS A 51 -20.382 9.311 -3.647 1.00 0.00 C ATOM 415 CD LYS A 51 -21.771 9.329 -2.983 1.00 0.00 C ATOM 416 CE LYS A 51 -21.898 10.355 -1.837 1.00 0.00 C ATOM 417 NZ LYS A 51 -23.259 10.367 -1.276 1.00 0.00 N ATOM 0 H LYS A 51 -17.569 10.822 -2.431 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.155 8.583 -2.403 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.444 7.574 -2.791 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.376 8.997 -1.771 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.089 10.336 -3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.456 8.785 -4.599 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.523 9.549 -3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.991 8.335 -2.595 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -21.181 10.116 -1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -21.646 11.349 -2.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.312 11.067 -0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -23.939 10.619 -2.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -23.489 9.424 -0.902 1.00 0.00 H new ATOM 418 N GLU A 52 -16.045 7.522 -4.051 1.00 0.00 N ATOM 419 CA GLU A 52 -15.273 6.553 -4.866 1.00 0.00 C ATOM 420 C GLU A 52 -14.394 5.778 -3.852 1.00 0.00 C ATOM 421 O GLU A 52 -13.426 6.323 -3.303 1.00 0.00 O ATOM 422 CB GLU A 52 -14.384 7.228 -5.952 1.00 0.00 C ATOM 423 CG GLU A 52 -15.120 7.866 -7.144 1.00 0.00 C ATOM 424 CD GLU A 52 -14.173 8.656 -8.054 1.00 0.00 C ATOM 425 OE1 GLU A 52 -13.732 9.758 -7.657 1.00 0.00 O ATOM 426 OE2 GLU A 52 -13.863 8.180 -9.166 1.00 0.00 O ATOM 0 H GLU A 52 -15.516 7.888 -3.260 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.952 5.908 -5.423 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -13.783 7.999 -5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -13.692 6.480 -6.339 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -15.612 7.086 -7.725 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -15.902 8.529 -6.773 1.00 0.00 H new ATOM 427 N THR A 53 -14.760 4.510 -3.596 1.00 0.00 N ATOM 428 CA THR A 53 -14.033 3.636 -2.639 1.00 0.00 C ATOM 429 C THR A 53 -14.072 2.207 -3.245 1.00 0.00 C ATOM 430 O THR A 53 -15.103 1.526 -3.213 1.00 0.00 O ATOM 431 CB THR A 53 -14.631 3.719 -1.202 1.00 0.00 C ATOM 432 OG1 THR A 53 -14.535 5.055 -0.717 1.00 0.00 O ATOM 433 CG2 THR A 53 -13.912 2.817 -0.181 1.00 0.00 C ATOM 0 H THR A 53 -15.560 4.059 -4.039 1.00 0.00 H new ATOM 0 HA THR A 53 -12.999 3.957 -2.510 1.00 0.00 H new ATOM 0 HB THR A 53 -15.664 3.383 -1.293 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.913 5.103 0.186 1.00 0.00 H new ATOM 0 HG21 THR A 53 -14.382 2.927 0.796 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.981 1.778 -0.502 1.00 0.00 H new ATOM 0 HG23 THR A 53 -12.864 3.107 -0.114 1.00 0.00 H new ATOM 434 N PHE A 54 -12.909 1.767 -3.754 1.00 0.00 N ATOM 435 CA PHE A 54 -12.684 0.361 -4.188 1.00 0.00 C ATOM 436 C PHE A 54 -11.709 -0.277 -3.164 1.00 0.00 C ATOM 437 O PHE A 54 -10.681 0.317 -2.823 1.00 0.00 O ATOM 438 CB PHE A 54 -12.119 0.312 -5.634 1.00 0.00 C ATOM 439 CG PHE A 54 -13.108 0.787 -6.720 1.00 0.00 C ATOM 440 CD1 PHE A 54 -14.101 -0.075 -7.201 1.00 0.00 C ATOM 441 CD2 PHE A 54 -13.074 2.112 -7.171 1.00 0.00 C ATOM 442 CE1 PHE A 54 -15.055 0.387 -8.105 1.00 0.00 C ATOM 443 CE2 PHE A 54 -14.031 2.573 -8.068 1.00 0.00 C ATOM 444 CZ PHE A 54 -15.024 1.712 -8.533 1.00 0.00 C ATOM 0 H PHE A 54 -12.094 2.368 -3.880 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.620 -0.197 -4.211 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.222 0.929 -5.682 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -11.815 -0.711 -5.858 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.127 -1.103 -6.870 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.301 2.779 -6.820 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -15.818 -0.282 -8.474 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.005 3.599 -8.405 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.770 2.073 -9.226 1.00 0.00 H new ATOM 445 N LYS A 55 -12.050 -1.477 -2.647 1.00 0.00 N ATOM 446 CA LYS A 55 -11.223 -2.168 -1.619 1.00 0.00 C ATOM 447 C LYS A 55 -11.448 -3.711 -1.670 1.00 0.00 C ATOM 448 O LYS A 55 -10.524 -4.440 -2.038 1.00 0.00 O ATOM 449 CB LYS A 55 -11.444 -1.537 -0.207 1.00 0.00 C ATOM 450 CG LYS A 55 -10.383 -1.924 0.848 1.00 0.00 C ATOM 451 CD LYS A 55 -10.662 -1.365 2.257 1.00 0.00 C ATOM 452 CE LYS A 55 -11.745 -2.133 3.037 1.00 0.00 C ATOM 453 NZ LYS A 55 -11.951 -1.548 4.375 1.00 0.00 N ATOM 0 H LYS A 55 -12.888 -1.990 -2.920 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.168 -2.016 -1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.457 -0.452 -0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.426 -1.835 0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.323 -3.011 0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.408 -1.568 0.514 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.736 -1.381 2.832 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.965 -0.322 2.168 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.682 -2.113 2.480 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.454 -3.179 3.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.686 -2.084 4.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.062 -1.589 4.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.251 -0.557 4.278 1.00 0.00 H new ATOM 454 N GLU A 56 -12.659 -4.197 -1.300 1.00 0.00 N ATOM 455 CA GLU A 56 -13.088 -5.620 -1.427 1.00 0.00 C ATOM 456 C GLU A 56 -12.642 -6.495 -0.211 1.00 0.00 C ATOM 457 O GLU A 56 -13.267 -6.400 0.850 1.00 0.00 O ATOM 458 CB GLU A 56 -12.954 -6.255 -2.853 1.00 0.00 C ATOM 459 CG GLU A 56 -13.661 -5.530 -4.021 1.00 0.00 C ATOM 460 CD GLU A 56 -15.190 -5.533 -3.936 1.00 0.00 C ATOM 461 OE1 GLU A 56 -15.819 -6.544 -4.322 1.00 0.00 O ATOM 462 OE2 GLU A 56 -15.772 -4.526 -3.472 1.00 0.00 O ATOM 0 H GLU A 56 -13.382 -3.602 -0.896 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.175 -5.602 -1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.893 -6.326 -3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.339 -7.274 -2.806 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.313 -4.497 -4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.361 -5.999 -4.958 1.00 0.00 H new ATOM 463 N LYS A 57 -11.615 -7.358 -0.355 1.00 0.00 N ATOM 464 CA LYS A 57 -11.323 -8.464 0.611 1.00 0.00 C ATOM 465 C LYS A 57 -10.085 -8.142 1.507 1.00 0.00 C ATOM 466 O LYS A 57 -9.282 -7.255 1.198 1.00 0.00 O ATOM 467 CB LYS A 57 -11.152 -9.759 -0.247 1.00 0.00 C ATOM 468 CG LYS A 57 -11.288 -11.104 0.512 1.00 0.00 C ATOM 469 CD LYS A 57 -11.043 -12.373 -0.334 1.00 0.00 C ATOM 470 CE LYS A 57 -12.170 -12.828 -1.282 1.00 0.00 C ATOM 471 NZ LYS A 57 -12.270 -12.031 -2.519 1.00 0.00 N ATOM 0 H LYS A 57 -10.961 -7.317 -1.137 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.136 -8.598 1.325 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.892 -9.740 -1.047 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.170 -9.730 -0.720 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.586 -11.103 1.346 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.289 -11.161 0.939 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.146 -12.210 -0.932 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.826 -13.195 0.348 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.009 -13.873 -1.547 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.121 -12.777 -0.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.715 -12.603 -3.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.847 -11.185 -2.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.318 -11.743 -2.824 1.00 0.00 H new ATOM 472 N ASP A 58 -9.900 -8.902 2.610 1.00 0.00 N ATOM 473 CA ASP A 58 -8.628 -8.876 3.413 1.00 0.00 C ATOM 474 C ASP A 58 -7.344 -9.386 2.701 1.00 0.00 C ATOM 475 O ASP A 58 -6.254 -8.853 2.936 1.00 0.00 O ATOM 476 CB ASP A 58 -8.681 -9.581 4.796 1.00 0.00 C ATOM 477 CG ASP A 58 -9.947 -9.381 5.639 1.00 0.00 C ATOM 478 OD1 ASP A 58 -10.075 -8.327 6.301 1.00 0.00 O ATOM 479 OD2 ASP A 58 -10.821 -10.277 5.633 1.00 0.00 O ATOM 0 H ASP A 58 -10.605 -9.543 2.974 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.556 -7.797 3.550 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.549 -10.651 4.635 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.828 -9.239 5.382 1.00 0.00 H new ATOM 480 N THR A 59 -7.494 -10.412 1.844 1.00 0.00 N ATOM 481 CA THR A 59 -6.403 -10.891 0.949 1.00 0.00 C ATOM 482 C THR A 59 -5.816 -9.834 -0.039 1.00 0.00 C ATOM 483 O THR A 59 -4.647 -9.962 -0.417 1.00 0.00 O ATOM 484 CB THR A 59 -6.741 -12.221 0.207 1.00 0.00 C ATOM 485 OG1 THR A 59 -7.615 -11.984 -0.895 1.00 0.00 O ATOM 486 CG2 THR A 59 -7.341 -13.364 1.049 1.00 0.00 C ATOM 0 H THR A 59 -8.364 -10.935 1.746 1.00 0.00 H new ATOM 0 HA THR A 59 -5.602 -11.095 1.659 1.00 0.00 H new ATOM 0 HB THR A 59 -5.756 -12.568 -0.106 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.811 -12.832 -1.345 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.528 -14.227 0.410 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.642 -13.641 1.838 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.279 -13.034 1.495 1.00 0.00 H new ATOM 487 N TYR A 60 -6.592 -8.795 -0.424 1.00 0.00 N ATOM 488 CA TYR A 60 -6.020 -7.571 -1.023 1.00 0.00 C ATOM 489 C TYR A 60 -6.820 -6.360 -0.489 1.00 0.00 C ATOM 490 O TYR A 60 -7.886 -6.006 -1.009 1.00 0.00 O ATOM 491 CB TYR A 60 -5.970 -7.637 -2.576 1.00 0.00 C ATOM 492 CG TYR A 60 -4.678 -6.999 -3.099 1.00 0.00 C ATOM 493 CD1 TYR A 60 -4.557 -5.609 -3.211 1.00 0.00 C ATOM 494 CD2 TYR A 60 -3.550 -7.804 -3.240 1.00 0.00 C ATOM 495 CE1 TYR A 60 -3.307 -5.043 -3.450 1.00 0.00 C ATOM 496 CE2 TYR A 60 -2.304 -7.238 -3.473 1.00 0.00 C ATOM 497 CZ TYR A 60 -2.185 -5.855 -3.542 1.00 0.00 C ATOM 498 OH TYR A 60 -0.932 -5.304 -3.535 1.00 0.00 O ATOM 0 H TYR A 60 -7.608 -8.781 -0.331 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.976 -7.466 -0.726 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.029 -8.675 -2.904 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.833 -7.121 -2.996 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.428 -4.979 -3.113 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.646 -8.877 -3.167 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.211 -3.973 -3.564 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.435 -7.867 -3.600 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.670 -5.075 -4.451 1.00 0.00 H new ATOM 499 N LYS A 61 -6.276 -5.758 0.577 1.00 0.00 N ATOM 500 CA LYS A 61 -6.926 -4.653 1.323 1.00 0.00 C ATOM 501 C LYS A 61 -6.008 -3.406 1.311 1.00 0.00 C ATOM 502 O LYS A 61 -4.783 -3.515 1.341 1.00 0.00 O ATOM 503 CB LYS A 61 -7.224 -5.101 2.778 1.00 0.00 C ATOM 504 CG LYS A 61 -8.487 -4.439 3.372 1.00 0.00 C ATOM 505 CD LYS A 61 -8.674 -4.613 4.888 1.00 0.00 C ATOM 506 CE LYS A 61 -7.706 -3.751 5.723 1.00 0.00 C ATOM 507 NZ LYS A 61 -7.978 -3.875 7.166 1.00 0.00 N ATOM 0 H LYS A 61 -5.366 -6.020 0.955 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.870 -4.396 0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.345 -6.184 2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.367 -4.863 3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.457 -3.373 3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.362 -4.847 2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.700 -4.356 5.153 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.531 -5.662 5.147 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.679 -4.054 5.518 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.796 -2.707 5.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.309 -3.282 7.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.950 -3.563 7.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.867 -4.868 7.456 1.00 0.00 H new ATOM 508 N LEU A 62 -6.625 -2.222 1.261 1.00 0.00 N ATOM 509 CA LEU A 62 -5.908 -0.925 1.174 1.00 0.00 C ATOM 510 C LEU A 62 -6.489 0.009 2.286 1.00 0.00 C ATOM 511 O LEU A 62 -7.707 0.175 2.394 1.00 0.00 O ATOM 512 CB LEU A 62 -6.023 -0.373 -0.270 1.00 0.00 C ATOM 513 CG LEU A 62 -5.235 -1.008 -1.462 1.00 0.00 C ATOM 514 CD1 LEU A 62 -5.595 -2.442 -1.891 1.00 0.00 C ATOM 515 CD2 LEU A 62 -5.257 -0.026 -2.631 1.00 0.00 C ATOM 0 H LEU A 62 -7.640 -2.125 1.279 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.838 -1.017 1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.079 -0.407 -0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.738 0.678 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.225 -1.166 -1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.964 -2.741 -2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.436 -3.123 -1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.641 -2.479 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.712 -0.451 -3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.289 0.166 -2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.786 0.910 -2.329 1.00 0.00 H new ATOM 516 N PHE A 63 -5.610 0.603 3.121 1.00 0.00 N ATOM 517 CA PHE A 63 -5.981 1.569 4.195 1.00 0.00 C ATOM 518 C PHE A 63 -5.961 3.068 3.740 1.00 0.00 C ATOM 519 O PHE A 63 -5.326 3.426 2.743 1.00 0.00 O ATOM 520 CB PHE A 63 -4.949 1.346 5.337 1.00 0.00 C ATOM 521 CG PHE A 63 -5.368 1.830 6.737 1.00 0.00 C ATOM 522 CD1 PHE A 63 -6.430 1.212 7.405 1.00 0.00 C ATOM 523 CD2 PHE A 63 -4.694 2.892 7.348 1.00 0.00 C ATOM 524 CE1 PHE A 63 -6.801 1.641 8.677 1.00 0.00 C ATOM 525 CE2 PHE A 63 -5.066 3.317 8.624 1.00 0.00 C ATOM 526 CZ PHE A 63 -6.118 2.690 9.285 1.00 0.00 C ATOM 0 H PHE A 63 -4.606 0.427 3.073 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.010 1.385 4.502 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.728 0.280 5.395 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.022 1.850 5.064 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.964 0.400 6.933 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.884 3.384 6.831 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.619 1.159 9.192 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.538 4.131 9.098 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.405 3.019 10.273 1.00 0.00 H new ATOM 527 N LYS A 64 -6.641 3.948 4.516 1.00 0.00 N ATOM 528 CA LYS A 64 -6.712 5.411 4.222 1.00 0.00 C ATOM 529 C LYS A 64 -5.466 6.277 4.555 1.00 0.00 C ATOM 530 O LYS A 64 -5.155 7.169 3.761 1.00 0.00 O ATOM 531 CB LYS A 64 -7.966 6.097 4.837 1.00 0.00 C ATOM 532 CG LYS A 64 -9.321 5.709 4.204 1.00 0.00 C ATOM 533 CD LYS A 64 -10.438 6.766 4.328 1.00 0.00 C ATOM 534 CE LYS A 64 -10.904 7.071 5.764 1.00 0.00 C ATOM 535 NZ LYS A 64 -11.928 8.132 5.778 1.00 0.00 N ATOM 0 H LYS A 64 -7.152 3.673 5.355 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.771 5.385 3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.002 5.860 5.900 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.844 7.177 4.755 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.161 5.497 3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.667 4.784 4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.089 7.693 3.873 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.298 6.430 3.749 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.308 6.166 6.218 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.051 7.378 6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.223 8.317 6.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.533 9.001 5.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.751 7.827 5.220 1.00 0.00 H new ATOM 536 N ASN A 65 -4.776 6.070 5.696 1.00 0.00 N ATOM 537 CA ASN A 65 -3.578 6.840 6.085 1.00 0.00 C ATOM 538 C ASN A 65 -2.399 6.790 5.061 1.00 0.00 C ATOM 539 O ASN A 65 -1.773 7.818 4.781 1.00 0.00 O ATOM 540 CB ASN A 65 -3.146 6.414 7.519 1.00 0.00 C ATOM 541 CG ASN A 65 -2.089 7.316 8.189 1.00 0.00 C ATOM 542 OD1 ASN A 65 -2.386 8.418 8.652 1.00 0.00 O ATOM 543 ND2 ASN A 65 -0.844 6.865 8.256 1.00 0.00 N ATOM 0 H ASN A 65 -5.037 5.358 6.378 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.859 7.893 6.082 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.032 6.388 8.154 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.756 5.397 7.475 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.119 7.432 8.695 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.611 5.951 7.869 1.00 0.00 H new ATOM 544 N GLY A 66 -2.127 5.581 4.542 1.00 0.00 N ATOM 545 CA GLY A 66 -1.060 5.348 3.551 1.00 0.00 C ATOM 546 C GLY A 66 -0.531 3.902 3.570 1.00 0.00 C ATOM 547 O GLY A 66 0.677 3.725 3.751 1.00 0.00 O ATOM 0 H GLY A 66 -2.640 4.737 4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.439 5.578 2.555 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.235 6.034 3.744 1.00 0.00 H new ATOM 548 N THR A 67 -1.406 2.884 3.414 1.00 0.00 N ATOM 549 CA THR A 67 -1.042 1.475 3.693 1.00 0.00 C ATOM 550 C THR A 67 -1.912 0.558 2.776 1.00 0.00 C ATOM 551 O THR A 67 -2.964 0.917 2.243 1.00 0.00 O ATOM 552 CB THR A 67 -1.136 1.199 5.238 1.00 0.00 C ATOM 553 OG1 THR A 67 0.014 1.746 5.875 1.00 0.00 O ATOM 554 CG2 THR A 67 -1.224 -0.275 5.653 1.00 0.00 C ATOM 0 H THR A 67 -2.367 3.010 3.097 1.00 0.00 H new ATOM 0 HA THR A 67 -0.005 1.249 3.444 1.00 0.00 H new ATOM 0 HB THR A 67 -2.073 1.663 5.544 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.481 2.342 5.252 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.284 -0.344 6.739 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.113 -0.725 5.211 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.337 -0.805 5.305 1.00 0.00 H new ATOM 555 N LEU A 68 -1.393 -0.655 2.596 1.00 0.00 N ATOM 556 CA LEU A 68 -2.113 -1.811 2.026 1.00 0.00 C ATOM 557 C LEU A 68 -1.667 -3.084 2.802 1.00 0.00 C ATOM 558 O LEU A 68 -0.474 -3.289 3.017 1.00 0.00 O ATOM 559 CB LEU A 68 -1.764 -1.727 0.512 1.00 0.00 C ATOM 560 CG LEU A 68 -2.114 -2.829 -0.509 1.00 0.00 C ATOM 561 CD1 LEU A 68 -1.679 -2.347 -1.912 1.00 0.00 C ATOM 562 CD2 LEU A 68 -1.568 -4.229 -0.207 1.00 0.00 C ATOM 0 H LEU A 68 -0.430 -0.876 2.848 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.199 -1.832 2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.224 -0.810 0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.684 -1.588 0.454 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.193 -2.970 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.918 -3.113 -2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.207 -1.426 -2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.605 -2.162 -1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.878 -4.918 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.479 -4.194 -0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.958 -4.573 0.751 1.00 0.00 H new ATOM 563 N LYS A 69 -2.616 -3.953 3.207 1.00 0.00 N ATOM 564 CA LYS A 69 -2.312 -5.277 3.817 1.00 0.00 C ATOM 565 C LYS A 69 -2.728 -6.410 2.828 1.00 0.00 C ATOM 566 O LYS A 69 -3.912 -6.609 2.554 1.00 0.00 O ATOM 567 CB LYS A 69 -3.033 -5.373 5.189 1.00 0.00 C ATOM 568 CG LYS A 69 -2.550 -6.544 6.078 1.00 0.00 C ATOM 569 CD LYS A 69 -3.250 -6.679 7.446 1.00 0.00 C ATOM 570 CE LYS A 69 -3.008 -5.544 8.465 1.00 0.00 C ATOM 571 NZ LYS A 69 -3.945 -4.413 8.312 1.00 0.00 N ATOM 0 H LYS A 69 -3.615 -3.763 3.123 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.244 -5.393 4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.888 -4.437 5.729 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.104 -5.479 5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.687 -7.475 5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.480 -6.429 6.248 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.323 -6.757 7.273 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.931 -7.617 7.900 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.096 -5.946 9.474 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.987 -5.178 8.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.441 -3.519 8.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.336 -4.414 7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.719 -4.508 9.000 1.00 0.00 H new ATOM 572 N ILE A 70 -1.723 -7.163 2.335 1.00 0.00 N ATOM 573 CA ILE A 70 -1.912 -8.399 1.523 1.00 0.00 C ATOM 574 C ILE A 70 -1.940 -9.557 2.568 1.00 0.00 C ATOM 575 O ILE A 70 -0.885 -9.882 3.124 1.00 0.00 O ATOM 576 CB ILE A 70 -0.756 -8.635 0.460 1.00 0.00 C ATOM 577 CG1 ILE A 70 -0.373 -7.389 -0.395 1.00 0.00 C ATOM 578 CG2 ILE A 70 -1.102 -9.832 -0.468 1.00 0.00 C ATOM 579 CD1 ILE A 70 0.826 -7.480 -1.366 1.00 0.00 C ATOM 0 H ILE A 70 -0.741 -6.933 2.488 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.824 -8.332 0.929 1.00 0.00 H new ATOM 0 HB ILE A 70 0.128 -8.858 1.057 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.249 -7.111 -0.981 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.176 -6.567 0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.298 -9.978 -1.189 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.220 -10.735 0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.032 -9.625 -0.998 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.952 -6.527 -1.879 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.731 -7.712 -0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.642 -8.265 -2.099 1.00 0.00 H new ATOM 580 N LYS A 71 -3.097 -10.200 2.823 1.00 0.00 N ATOM 581 CA LYS A 71 -3.114 -11.474 3.597 1.00 0.00 C ATOM 582 C LYS A 71 -3.174 -12.656 2.595 1.00 0.00 C ATOM 583 O LYS A 71 -4.269 -13.104 2.258 1.00 0.00 O ATOM 584 CB LYS A 71 -4.279 -11.543 4.620 1.00 0.00 C ATOM 585 CG LYS A 71 -4.230 -10.535 5.786 1.00 0.00 C ATOM 586 CD LYS A 71 -5.299 -10.854 6.850 1.00 0.00 C ATOM 587 CE LYS A 71 -5.374 -9.795 7.961 1.00 0.00 C ATOM 588 NZ LYS A 71 -6.361 -10.173 8.987 1.00 0.00 N ATOM 0 H LYS A 71 -4.014 -9.875 2.517 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.202 -11.530 4.191 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.215 -11.397 4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.306 -12.549 5.039 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.241 -10.554 6.244 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.385 -9.526 5.404 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.272 -10.935 6.366 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.082 -11.825 7.295 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.393 -9.676 8.422 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.643 -8.830 7.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.392 -9.441 9.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.300 -10.263 8.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.089 -11.082 9.412 1.00 0.00 H new ATOM 589 N HIS A 72 -2.004 -13.154 2.131 1.00 0.00 N ATOM 590 CA HIS A 72 -1.884 -14.433 1.398 1.00 0.00 C ATOM 591 C HIS A 72 -0.433 -14.604 0.841 1.00 0.00 C ATOM 592 O HIS A 72 0.128 -13.733 0.168 1.00 0.00 O ATOM 593 CB HIS A 72 -2.919 -14.731 0.251 1.00 0.00 C ATOM 594 CG HIS A 72 -4.118 -15.656 0.536 1.00 0.00 C ATOM 595 ND1 HIS A 72 -4.846 -16.254 -0.485 1.00 0.00 N ATOM 596 CD2 HIS A 72 -4.652 -16.059 1.782 1.00 0.00 C ATOM 597 CE1 HIS A 72 -5.753 -16.973 0.236 1.00 0.00 C ATOM 598 NE2 HIS A 72 -5.723 -16.915 1.605 1.00 0.00 N ATOM 0 H HIS A 72 -1.112 -12.675 2.256 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.130 -15.168 2.164 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.317 -13.774 -0.087 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.366 -15.160 -0.585 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -4.733 -16.177 -1.496 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -4.274 -15.741 2.742 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -6.489 -17.583 -0.267 1.00 0.00 H new ATOM 599 N LEU A 73 0.026 -15.854 1.009 1.00 0.00 N ATOM 600 CA LEU A 73 0.997 -16.613 0.190 1.00 0.00 C ATOM 601 C LEU A 73 1.350 -16.216 -1.278 1.00 0.00 C ATOM 602 O LEU A 73 1.793 -15.104 -1.570 1.00 0.00 O ATOM 603 CB LEU A 73 0.477 -18.088 0.479 1.00 0.00 C ATOM 604 CG LEU A 73 -0.920 -18.527 -0.059 1.00 0.00 C ATOM 605 CD1 LEU A 73 -0.893 -19.878 -0.798 1.00 0.00 C ATOM 606 CD2 LEU A 73 -1.987 -18.593 1.049 1.00 0.00 C ATOM 0 H LEU A 73 -0.301 -16.416 1.795 1.00 0.00 H new ATOM 0 HA LEU A 73 2.028 -16.395 0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.215 -18.780 0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.469 -18.226 1.560 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.188 -17.748 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.897 -20.123 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.219 -19.812 -1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.544 -20.657 -0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.939 -18.903 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.680 -19.313 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.099 -17.610 1.506 1.00 0.00 H new ATOM 607 N LYS A 74 1.324 -17.249 -2.103 1.00 0.00 N ATOM 608 CA LYS A 74 2.218 -17.482 -3.263 1.00 0.00 C ATOM 609 C LYS A 74 2.225 -16.457 -4.434 1.00 0.00 C ATOM 610 O LYS A 74 1.741 -15.331 -4.323 1.00 0.00 O ATOM 611 CB LYS A 74 1.997 -18.969 -3.702 1.00 0.00 C ATOM 612 CG LYS A 74 0.692 -19.373 -4.429 1.00 0.00 C ATOM 613 CD LYS A 74 0.586 -20.892 -4.738 1.00 0.00 C ATOM 614 CE LYS A 74 -0.696 -21.587 -4.240 1.00 0.00 C ATOM 615 NZ LYS A 74 -1.924 -21.142 -4.930 1.00 0.00 N ATOM 0 H LYS A 74 0.644 -18.001 -1.989 1.00 0.00 H new ATOM 0 HA LYS A 74 3.236 -17.298 -2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.828 -19.243 -4.351 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.075 -19.587 -2.807 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.160 -19.077 -3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.621 -18.817 -5.364 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.657 -21.030 -5.817 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.446 -21.395 -4.295 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.588 -22.664 -4.370 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.805 -21.404 -3.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.744 -21.652 -4.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.052 -20.120 -4.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.842 -21.341 -5.948 1.00 0.00 H new ATOM 616 N THR A 75 2.855 -16.877 -5.547 1.00 0.00 N ATOM 617 CA THR A 75 3.159 -16.045 -6.737 1.00 0.00 C ATOM 618 C THR A 75 1.995 -15.194 -7.302 1.00 0.00 C ATOM 619 O THR A 75 2.067 -13.974 -7.430 1.00 0.00 O ATOM 620 CB THR A 75 3.888 -16.918 -7.828 1.00 0.00 C ATOM 621 OG1 THR A 75 5.088 -16.269 -8.223 1.00 0.00 O ATOM 622 CG2 THR A 75 3.181 -17.377 -9.119 1.00 0.00 C ATOM 0 H THR A 75 3.180 -17.838 -5.651 1.00 0.00 H new ATOM 0 HA THR A 75 3.838 -15.268 -6.387 1.00 0.00 H new ATOM 0 HB THR A 75 3.988 -17.851 -7.274 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.545 -16.810 -8.900 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.872 -17.965 -9.723 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.314 -17.986 -8.862 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.856 -16.504 -9.686 1.00 0.00 H new ATOM 623 N ASP A 76 0.932 -15.945 -7.592 1.00 0.00 N ATOM 624 CA ASP A 76 -0.377 -15.385 -8.042 1.00 0.00 C ATOM 625 C ASP A 76 -1.190 -14.554 -6.999 1.00 0.00 C ATOM 626 O ASP A 76 -1.993 -13.707 -7.396 1.00 0.00 O ATOM 627 CB ASP A 76 -1.216 -16.501 -8.727 1.00 0.00 C ATOM 628 CG ASP A 76 -1.757 -17.609 -7.807 1.00 0.00 C ATOM 629 OD1 ASP A 76 -2.815 -17.401 -7.171 1.00 0.00 O ATOM 630 OD2 ASP A 76 -1.124 -18.681 -7.708 1.00 0.00 O ATOM 0 H ASP A 76 0.938 -16.963 -7.527 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.125 -14.614 -8.770 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.061 -16.033 -9.232 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.602 -16.966 -9.498 1.00 0.00 H new ATOM 631 N ASP A 77 -0.962 -14.781 -5.694 1.00 0.00 N ATOM 632 CA ASP A 77 -1.480 -13.908 -4.607 1.00 0.00 C ATOM 633 C ASP A 77 -0.747 -12.533 -4.445 1.00 0.00 C ATOM 634 O ASP A 77 -1.331 -11.680 -3.767 1.00 0.00 O ATOM 635 CB ASP A 77 -1.462 -14.702 -3.269 1.00 0.00 C ATOM 636 CG ASP A 77 -2.376 -15.939 -3.227 1.00 0.00 C ATOM 637 OD1 ASP A 77 -3.611 -15.791 -3.351 1.00 0.00 O ATOM 638 OD2 ASP A 77 -1.856 -17.065 -3.077 1.00 0.00 O ATOM 0 H ASP A 77 -0.415 -15.572 -5.355 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.497 -13.638 -4.893 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -0.439 -15.019 -3.068 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.752 -14.029 -2.462 1.00 0.00 H new ATOM 639 N GLN A 78 0.467 -12.283 -5.014 1.00 0.00 N ATOM 640 CA GLN A 78 1.196 -10.992 -4.776 1.00 0.00 C ATOM 641 C GLN A 78 1.993 -10.516 -6.028 1.00 0.00 C ATOM 642 O GLN A 78 2.704 -11.298 -6.664 1.00 0.00 O ATOM 643 CB GLN A 78 1.990 -11.016 -3.438 1.00 0.00 C ATOM 644 CG GLN A 78 2.988 -12.175 -3.172 1.00 0.00 C ATOM 645 CD GLN A 78 3.377 -12.331 -1.685 1.00 0.00 C ATOM 646 OE1 GLN A 78 2.541 -12.269 -0.782 1.00 0.00 O ATOM 647 NE2 GLN A 78 4.643 -12.576 -1.390 1.00 0.00 N ATOM 0 H GLN A 78 0.955 -12.937 -5.626 1.00 0.00 H new ATOM 0 HA GLN A 78 0.455 -10.205 -4.635 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.546 -10.081 -3.370 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.264 -11.015 -2.625 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.549 -13.109 -3.523 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.891 -12.007 -3.759 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.339 -12.628 -2.134 1.00 0.00 H new ATOM 0 HE22 GLN A 78 4.923 -12.713 -0.419 1.00 0.00 H new ATOM 648 N ASP A 79 1.824 -9.222 -6.395 1.00 0.00 N ATOM 649 CA ASP A 79 2.077 -8.712 -7.779 1.00 0.00 C ATOM 650 C ASP A 79 2.850 -7.341 -7.820 1.00 0.00 C ATOM 651 O ASP A 79 3.157 -6.753 -6.787 1.00 0.00 O ATOM 652 CB ASP A 79 0.673 -8.548 -8.438 1.00 0.00 C ATOM 653 CG ASP A 79 0.637 -8.872 -9.936 1.00 0.00 C ATOM 654 OD1 ASP A 79 0.480 -10.060 -10.298 1.00 0.00 O ATOM 655 OD2 ASP A 79 0.767 -7.942 -10.759 1.00 0.00 O ATOM 0 H ASP A 79 1.510 -8.499 -5.748 1.00 0.00 H new ATOM 0 HA ASP A 79 2.719 -9.417 -8.308 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.036 -9.195 -7.921 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.334 -7.523 -8.292 1.00 0.00 H new ATOM 656 N ILE A 80 3.087 -6.792 -9.036 1.00 0.00 N ATOM 657 CA ILE A 80 3.744 -5.462 -9.251 1.00 0.00 C ATOM 658 C ILE A 80 2.740 -4.283 -8.979 1.00 0.00 C ATOM 659 O ILE A 80 1.565 -4.376 -9.345 1.00 0.00 O ATOM 660 CB ILE A 80 4.388 -5.352 -10.694 1.00 0.00 C ATOM 661 CG1 ILE A 80 5.213 -6.600 -11.148 1.00 0.00 C ATOM 662 CG2 ILE A 80 5.288 -4.092 -10.804 1.00 0.00 C ATOM 663 CD1 ILE A 80 5.631 -6.649 -12.630 1.00 0.00 C ATOM 0 H ILE A 80 2.829 -7.256 -9.907 1.00 0.00 H new ATOM 0 HA ILE A 80 4.557 -5.380 -8.530 1.00 0.00 H new ATOM 0 HB ILE A 80 3.532 -5.284 -11.365 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.115 -6.653 -10.538 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.628 -7.493 -10.929 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.719 -4.039 -11.804 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.690 -3.200 -10.619 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.089 -4.151 -10.067 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.197 -7.562 -12.819 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.741 -6.637 -13.260 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.251 -5.783 -12.862 1.00 0.00 H new ATOM 664 N TYR A 81 3.217 -3.181 -8.345 1.00 0.00 N ATOM 665 CA TYR A 81 2.366 -1.996 -7.979 1.00 0.00 C ATOM 666 C TYR A 81 3.076 -0.630 -8.238 1.00 0.00 C ATOM 667 O TYR A 81 4.294 -0.543 -8.394 1.00 0.00 O ATOM 668 CB TYR A 81 1.909 -2.096 -6.479 1.00 0.00 C ATOM 669 CG TYR A 81 0.802 -3.146 -6.255 1.00 0.00 C ATOM 670 CD1 TYR A 81 -0.513 -2.934 -6.703 1.00 0.00 C ATOM 671 CD2 TYR A 81 1.185 -4.428 -5.866 1.00 0.00 C ATOM 672 CE1 TYR A 81 -1.333 -4.027 -6.952 1.00 0.00 C ATOM 673 CE2 TYR A 81 0.362 -5.521 -6.120 1.00 0.00 C ATOM 674 CZ TYR A 81 -0.893 -5.321 -6.687 1.00 0.00 C ATOM 675 OH TYR A 81 -1.720 -6.388 -6.920 1.00 0.00 O ATOM 0 H TYR A 81 4.194 -3.079 -8.070 1.00 0.00 H new ATOM 0 HA TYR A 81 1.493 -2.024 -8.631 1.00 0.00 H new ATOM 0 HB2 TYR A 81 2.770 -2.346 -5.859 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.550 -1.121 -6.149 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.883 -1.930 -6.852 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.129 -4.575 -5.363 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.323 -3.871 -7.356 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.696 -6.519 -5.878 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.087 -6.709 -6.070 1.00 0.00 H new ATOM 676 N LYS A 82 2.293 0.464 -8.233 1.00 0.00 N ATOM 677 CA LYS A 82 2.805 1.823 -7.873 1.00 0.00 C ATOM 678 C LYS A 82 1.741 2.577 -7.011 1.00 0.00 C ATOM 679 O LYS A 82 0.574 2.181 -6.923 1.00 0.00 O ATOM 680 CB LYS A 82 3.323 2.623 -9.105 1.00 0.00 C ATOM 681 CG LYS A 82 2.311 3.183 -10.123 1.00 0.00 C ATOM 682 CD LYS A 82 3.001 4.164 -11.096 1.00 0.00 C ATOM 683 CE LYS A 82 2.052 4.783 -12.133 1.00 0.00 C ATOM 684 NZ LYS A 82 2.791 5.642 -13.072 1.00 0.00 N ATOM 0 H LYS A 82 1.302 0.446 -8.472 1.00 0.00 H new ATOM 0 HA LYS A 82 3.695 1.710 -7.254 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.906 3.463 -8.728 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.011 1.976 -9.650 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.860 2.364 -10.683 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.503 3.692 -9.598 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.466 4.964 -10.520 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.802 3.640 -11.618 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.541 3.992 -12.682 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.284 5.367 -11.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.130 6.050 -13.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.259 6.408 -12.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.507 5.076 -13.570 1.00 0.00 H new ATOM 685 N VAL A 83 2.170 3.675 -6.361 1.00 0.00 N ATOM 686 CA VAL A 83 1.312 4.517 -5.481 1.00 0.00 C ATOM 687 C VAL A 83 1.215 5.969 -6.034 1.00 0.00 C ATOM 688 O VAL A 83 2.191 6.519 -6.556 1.00 0.00 O ATOM 689 CB VAL A 83 1.798 4.422 -3.996 1.00 0.00 C ATOM 690 CG1 VAL A 83 3.098 5.191 -3.655 1.00 0.00 C ATOM 691 CG2 VAL A 83 0.708 4.779 -2.965 1.00 0.00 C ATOM 0 H VAL A 83 3.130 4.013 -6.427 1.00 0.00 H new ATOM 0 HA VAL A 83 0.291 4.137 -5.484 1.00 0.00 H new ATOM 0 HB VAL A 83 2.037 3.362 -3.915 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.337 5.053 -2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.917 4.810 -4.265 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.957 6.252 -3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.117 4.691 -1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.371 5.802 -3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.135 4.097 -3.075 1.00 0.00 H new ATOM 692 N SER A 84 0.038 6.588 -5.837 1.00 0.00 N ATOM 693 CA SER A 84 -0.128 8.066 -5.939 1.00 0.00 C ATOM 694 C SER A 84 -0.864 8.593 -4.672 1.00 0.00 C ATOM 695 O SER A 84 -1.755 7.941 -4.114 1.00 0.00 O ATOM 696 CB SER A 84 -0.919 8.485 -7.197 1.00 0.00 C ATOM 697 OG SER A 84 -0.355 7.956 -8.392 1.00 0.00 O ATOM 0 H SER A 84 -0.823 6.093 -5.604 1.00 0.00 H new ATOM 0 HA SER A 84 0.868 8.501 -6.016 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.951 8.146 -7.104 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.945 9.573 -7.261 1.00 0.00 H new ATOM 0 HG SER A 84 -0.771 7.093 -8.596 1.00 0.00 H new ATOM 698 N ILE A 85 -0.480 9.811 -4.243 1.00 0.00 N ATOM 699 CA ILE A 85 -1.017 10.470 -3.017 1.00 0.00 C ATOM 700 C ILE A 85 -1.768 11.757 -3.492 1.00 0.00 C ATOM 701 O ILE A 85 -1.275 12.516 -4.331 1.00 0.00 O ATOM 702 CB ILE A 85 0.113 10.731 -1.944 1.00 0.00 C ATOM 703 CG1 ILE A 85 0.766 9.434 -1.360 1.00 0.00 C ATOM 704 CG2 ILE A 85 -0.397 11.568 -0.740 1.00 0.00 C ATOM 705 CD1 ILE A 85 1.884 8.791 -2.194 1.00 0.00 C ATOM 0 H ILE A 85 0.214 10.375 -4.733 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.720 9.825 -2.490 1.00 0.00 H new ATOM 0 HB ILE A 85 0.867 11.278 -2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.168 9.669 -0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.020 8.693 -1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.417 11.720 -0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.754 12.535 -1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.212 11.038 -0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.254 7.902 -1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.493 8.511 -3.172 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.700 9.503 -2.319 1.00 0.00 H new ATOM 706 N TYR A 86 -2.959 11.999 -2.915 1.00 0.00 N ATOM 707 CA TYR A 86 -3.739 13.257 -3.124 1.00 0.00 C ATOM 708 C TYR A 86 -4.228 13.756 -1.733 1.00 0.00 C ATOM 709 O TYR A 86 -4.599 12.966 -0.857 1.00 0.00 O ATOM 710 CB TYR A 86 -4.928 13.161 -4.138 1.00 0.00 C ATOM 711 CG TYR A 86 -4.745 12.312 -5.406 1.00 0.00 C ATOM 712 CD1 TYR A 86 -4.902 10.919 -5.350 1.00 0.00 C ATOM 713 CD2 TYR A 86 -4.389 12.911 -6.619 1.00 0.00 C ATOM 714 CE1 TYR A 86 -4.663 10.140 -6.478 1.00 0.00 C ATOM 715 CE2 TYR A 86 -4.161 12.129 -7.749 1.00 0.00 C ATOM 716 CZ TYR A 86 -4.296 10.745 -7.677 1.00 0.00 C ATOM 717 OH TYR A 86 -4.060 9.978 -8.786 1.00 0.00 O ATOM 0 H TYR A 86 -3.417 11.336 -2.290 1.00 0.00 H new ATOM 0 HA TYR A 86 -3.063 13.970 -3.596 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.792 12.771 -3.600 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.179 14.174 -4.451 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.210 10.449 -4.427 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.290 13.985 -6.680 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -4.762 9.066 -6.423 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -3.879 12.596 -8.681 1.00 0.00 H new ATOM 0 HH TYR A 86 -3.815 10.557 -9.538 1.00 0.00 H new ATOM 718 N ASP A 87 -4.268 15.087 -1.545 1.00 0.00 N ATOM 719 CA ASP A 87 -4.772 15.712 -0.283 1.00 0.00 C ATOM 720 C ASP A 87 -6.333 15.670 -0.156 1.00 0.00 C ATOM 721 O ASP A 87 -7.045 15.136 -1.015 1.00 0.00 O ATOM 722 CB ASP A 87 -4.202 17.164 -0.193 1.00 0.00 C ATOM 723 CG ASP A 87 -2.688 17.293 0.045 1.00 0.00 C ATOM 724 OD1 ASP A 87 -2.199 16.872 1.117 1.00 0.00 O ATOM 725 OD2 ASP A 87 -1.985 17.834 -0.836 1.00 0.00 O ATOM 0 H ASP A 87 -3.960 15.762 -2.245 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.417 15.128 0.566 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.448 17.685 -1.118 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.720 17.684 0.613 1.00 0.00 H new ATOM 726 N THR A 88 -6.864 16.261 0.938 1.00 0.00 N ATOM 727 CA THR A 88 -8.314 16.608 1.068 1.00 0.00 C ATOM 728 C THR A 88 -8.946 17.472 -0.079 1.00 0.00 C ATOM 729 O THR A 88 -10.104 17.240 -0.435 1.00 0.00 O ATOM 730 CB THR A 88 -8.700 17.141 2.487 1.00 0.00 C ATOM 731 OG1 THR A 88 -8.524 18.551 2.578 1.00 0.00 O ATOM 732 CG2 THR A 88 -8.077 16.471 3.727 1.00 0.00 C ATOM 0 H THR A 88 -6.310 16.513 1.757 1.00 0.00 H new ATOM 0 HA THR A 88 -8.785 15.634 0.936 1.00 0.00 H new ATOM 0 HB THR A 88 -9.749 16.850 2.539 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.775 18.855 3.475 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.448 16.958 4.629 1.00 0.00 H new ATOM 0 HG22 THR A 88 -8.350 15.416 3.746 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.992 16.564 3.684 1.00 0.00 H new ATOM 733 N LYS A 89 -8.189 18.419 -0.674 1.00 0.00 N ATOM 734 CA LYS A 89 -8.532 19.042 -1.988 1.00 0.00 C ATOM 735 C LYS A 89 -8.621 18.037 -3.190 1.00 0.00 C ATOM 736 O LYS A 89 -9.548 18.158 -3.996 1.00 0.00 O ATOM 737 CB LYS A 89 -7.503 20.181 -2.253 1.00 0.00 C ATOM 738 CG LYS A 89 -7.749 21.044 -3.515 1.00 0.00 C ATOM 739 CD LYS A 89 -6.673 22.129 -3.726 1.00 0.00 C ATOM 740 CE LYS A 89 -6.856 22.992 -4.993 1.00 0.00 C ATOM 741 NZ LYS A 89 -6.575 22.261 -6.245 1.00 0.00 N ATOM 0 H LYS A 89 -7.325 18.777 -0.266 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.545 19.438 -1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.490 20.840 -1.385 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.511 19.736 -2.330 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.779 20.396 -4.391 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.726 21.520 -3.437 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.665 22.785 -2.856 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -5.696 21.647 -3.771 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.878 23.369 -5.023 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.198 23.859 -4.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.716 22.896 -7.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.591 21.923 -6.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.219 21.449 -6.325 1.00 0.00 H new ATOM 742 N GLY A 90 -7.660 17.102 -3.328 1.00 0.00 N ATOM 743 CA GLY A 90 -7.523 16.246 -4.530 1.00 0.00 C ATOM 744 C GLY A 90 -6.490 16.700 -5.598 1.00 0.00 C ATOM 745 O GLY A 90 -6.687 16.400 -6.778 1.00 0.00 O ATOM 0 H GLY A 90 -6.957 16.917 -2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.255 15.241 -4.203 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -8.499 16.175 -5.010 1.00 0.00 H new ATOM 746 N LYS A 91 -5.392 17.371 -5.192 1.00 0.00 N ATOM 747 CA LYS A 91 -4.268 17.750 -6.090 1.00 0.00 C ATOM 748 C LYS A 91 -3.129 16.703 -5.926 1.00 0.00 C ATOM 749 O LYS A 91 -2.813 16.278 -4.812 1.00 0.00 O ATOM 750 CB LYS A 91 -3.824 19.196 -5.726 1.00 0.00 C ATOM 751 CG LYS A 91 -2.724 19.786 -6.638 1.00 0.00 C ATOM 752 CD LYS A 91 -2.343 21.241 -6.299 1.00 0.00 C ATOM 753 CE LYS A 91 -1.175 21.813 -7.129 1.00 0.00 C ATOM 754 NZ LYS A 91 -1.501 22.021 -8.553 1.00 0.00 N ATOM 0 H LYS A 91 -5.254 17.670 -4.226 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.560 17.748 -7.140 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.696 19.849 -5.763 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.465 19.202 -4.697 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.833 19.162 -6.566 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.062 19.741 -7.673 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.218 21.874 -6.444 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.081 21.297 -5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.864 22.763 -6.695 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.324 21.136 -7.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.671 22.406 -9.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.770 21.113 -8.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.293 22.690 -8.634 1.00 0.00 H new ATOM 755 N ASN A 92 -2.499 16.315 -7.053 1.00 0.00 N ATOM 756 CA ASN A 92 -1.442 15.264 -7.084 1.00 0.00 C ATOM 757 C ASN A 92 -0.133 15.678 -6.332 1.00 0.00 C ATOM 758 O ASN A 92 0.419 16.758 -6.567 1.00 0.00 O ATOM 759 CB ASN A 92 -1.301 14.710 -8.543 1.00 0.00 C ATOM 760 CG ASN A 92 0.044 14.864 -9.284 1.00 0.00 C ATOM 761 OD1 ASN A 92 0.985 14.104 -9.065 1.00 0.00 O ATOM 762 ND2 ASN A 92 0.162 15.844 -10.165 1.00 0.00 N ATOM 0 H ASN A 92 -2.702 16.715 -7.969 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.745 14.405 -6.485 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.539 13.647 -8.514 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.067 15.191 -9.151 1.00 0.00 H new ATOM 0 HD21 ASN A 92 1.039 15.974 -10.669 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -0.624 16.470 -10.340 1.00 0.00 H new ATOM 763 N VAL A 93 0.317 14.800 -5.419 1.00 0.00 N ATOM 764 CA VAL A 93 1.373 15.109 -4.414 1.00 0.00 C ATOM 765 C VAL A 93 2.667 14.342 -4.814 1.00 0.00 C ATOM 766 O VAL A 93 3.581 14.912 -5.417 1.00 0.00 O ATOM 767 CB VAL A 93 0.865 14.884 -2.936 1.00 0.00 C ATOM 768 CG1 VAL A 93 1.891 15.330 -1.871 1.00 0.00 C ATOM 769 CG2 VAL A 93 -0.479 15.556 -2.589 1.00 0.00 C ATOM 0 H VAL A 93 -0.038 13.846 -5.349 1.00 0.00 H new ATOM 0 HA VAL A 93 1.624 16.170 -4.420 1.00 0.00 H new ATOM 0 HB VAL A 93 0.722 13.804 -2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.484 15.150 -0.876 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.813 14.762 -1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.101 16.393 -1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.737 15.340 -1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.392 16.634 -2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.259 15.170 -3.245 1.00 0.00 H new ATOM 770 N LEU A 94 2.717 13.062 -4.431 1.00 0.00 N ATOM 771 CA LEU A 94 3.944 12.225 -4.428 1.00 0.00 C ATOM 772 C LEU A 94 3.600 10.871 -5.105 1.00 0.00 C ATOM 773 O LEU A 94 2.540 10.279 -4.867 1.00 0.00 O ATOM 774 CB LEU A 94 4.436 12.103 -2.952 1.00 0.00 C ATOM 775 CG LEU A 94 5.768 11.374 -2.611 1.00 0.00 C ATOM 776 CD1 LEU A 94 5.660 9.841 -2.511 1.00 0.00 C ATOM 777 CD2 LEU A 94 6.959 11.799 -3.492 1.00 0.00 C ATOM 0 H LEU A 94 1.892 12.558 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 94 4.766 12.659 -4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.516 13.116 -2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.646 11.603 -2.392 1.00 0.00 H new ATOM 0 HG LEU A 94 5.981 11.724 -1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.637 9.422 -2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.949 9.577 -1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.317 9.437 -3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.849 11.246 -3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.734 11.584 -4.537 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.138 12.867 -3.372 1.00 0.00 H new ATOM 778 N GLU A 95 4.519 10.403 -5.966 1.00 0.00 N ATOM 779 CA GLU A 95 4.378 9.115 -6.700 1.00 0.00 C ATOM 780 C GLU A 95 5.655 8.255 -6.450 1.00 0.00 C ATOM 781 O GLU A 95 6.786 8.740 -6.568 1.00 0.00 O ATOM 782 CB GLU A 95 4.145 9.358 -8.219 1.00 0.00 C ATOM 783 CG GLU A 95 2.706 9.738 -8.648 1.00 0.00 C ATOM 784 CD GLU A 95 2.199 11.117 -8.202 1.00 0.00 C ATOM 785 OE1 GLU A 95 2.926 12.119 -8.393 1.00 0.00 O ATOM 786 OE2 GLU A 95 1.082 11.206 -7.645 1.00 0.00 O ATOM 0 H GLU A 95 5.384 10.900 -6.179 1.00 0.00 H new ATOM 0 HA GLU A 95 3.505 8.578 -6.330 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.818 10.151 -8.544 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.433 8.455 -8.757 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.650 9.690 -9.736 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.024 8.982 -8.260 1.00 0.00 H new ATOM 787 N LYS A 96 5.446 6.967 -6.127 1.00 0.00 N ATOM 788 CA LYS A 96 6.542 5.974 -5.924 1.00 0.00 C ATOM 789 C LYS A 96 6.131 4.612 -6.564 1.00 0.00 C ATOM 790 O LYS A 96 4.953 4.256 -6.615 1.00 0.00 O ATOM 791 CB LYS A 96 6.874 5.781 -4.414 1.00 0.00 C ATOM 792 CG LYS A 96 7.922 6.736 -3.816 1.00 0.00 C ATOM 793 CD LYS A 96 8.263 6.375 -2.347 1.00 0.00 C ATOM 794 CE LYS A 96 9.638 6.862 -1.850 1.00 0.00 C ATOM 795 NZ LYS A 96 10.762 6.169 -2.508 1.00 0.00 N ATOM 0 H LYS A 96 4.514 6.574 -5.997 1.00 0.00 H new ATOM 0 HA LYS A 96 7.441 6.354 -6.409 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.951 5.888 -3.845 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.222 4.758 -4.269 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.830 6.702 -4.418 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.548 7.759 -3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.492 6.793 -1.699 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.218 5.291 -2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.724 7.934 -2.027 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.704 6.711 -0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.657 6.461 -2.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.644 5.141 -2.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.779 6.416 -3.518 1.00 0.00 H new ATOM 796 N ILE A 97 7.121 3.837 -7.036 1.00 0.00 N ATOM 797 CA ILE A 97 6.907 2.566 -7.796 1.00 0.00 C ATOM 798 C ILE A 97 7.435 1.382 -6.913 1.00 0.00 C ATOM 799 O ILE A 97 8.354 1.520 -6.097 1.00 0.00 O ATOM 800 CB ILE A 97 7.519 2.652 -9.245 1.00 0.00 C ATOM 801 CG1 ILE A 97 7.118 3.949 -10.029 1.00 0.00 C ATOM 802 CG2 ILE A 97 7.203 1.395 -10.099 1.00 0.00 C ATOM 803 CD1 ILE A 97 7.794 4.179 -11.391 1.00 0.00 C ATOM 0 H ILE A 97 8.107 4.066 -6.907 1.00 0.00 H new ATOM 0 HA ILE A 97 5.848 2.384 -7.980 1.00 0.00 H new ATOM 0 HB ILE A 97 8.595 2.699 -9.079 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.039 3.931 -10.185 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.334 4.809 -9.394 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.648 1.506 -11.088 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.616 0.511 -9.612 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.123 1.284 -10.197 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.429 5.109 -11.826 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.874 4.241 -11.255 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.559 3.350 -12.058 1.00 0.00 H new ATOM 804 N PHE A 98 6.769 0.220 -7.030 1.00 0.00 N ATOM 805 CA PHE A 98 6.945 -0.949 -6.115 1.00 0.00 C ATOM 806 C PHE A 98 6.799 -2.281 -6.915 1.00 0.00 C ATOM 807 O PHE A 98 6.338 -2.294 -8.064 1.00 0.00 O ATOM 808 CB PHE A 98 5.889 -0.897 -4.967 1.00 0.00 C ATOM 809 CG PHE A 98 6.115 0.225 -3.944 1.00 0.00 C ATOM 810 CD1 PHE A 98 5.606 1.503 -4.198 1.00 0.00 C ATOM 811 CD2 PHE A 98 6.871 0.008 -2.787 1.00 0.00 C ATOM 812 CE1 PHE A 98 5.854 2.547 -3.322 1.00 0.00 C ATOM 813 CE2 PHE A 98 7.102 1.057 -1.901 1.00 0.00 C ATOM 814 CZ PHE A 98 6.598 2.323 -2.171 1.00 0.00 C ATOM 0 H PHE A 98 6.083 0.052 -7.766 1.00 0.00 H new ATOM 0 HA PHE A 98 7.943 -0.906 -5.678 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.899 -0.777 -5.407 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.892 -1.854 -4.445 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.015 1.677 -5.085 1.00 0.00 H new ATOM 0 HD2 PHE A 98 7.275 -0.972 -2.581 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.469 3.534 -3.534 1.00 0.00 H new ATOM 0 HE2 PHE A 98 7.675 0.886 -1.001 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.785 3.135 -1.484 1.00 0.00 H new ATOM 815 N ASP A 99 7.218 -3.420 -6.326 1.00 0.00 N ATOM 816 CA ASP A 99 7.228 -4.720 -7.057 1.00 0.00 C ATOM 817 C ASP A 99 7.034 -5.859 -6.027 1.00 0.00 C ATOM 818 O ASP A 99 8.048 -6.247 -5.433 1.00 0.00 O ATOM 819 CB ASP A 99 8.559 -4.936 -7.857 1.00 0.00 C ATOM 820 CG ASP A 99 8.893 -3.966 -8.999 1.00 0.00 C ATOM 821 OD1 ASP A 99 9.441 -2.874 -8.725 1.00 0.00 O ATOM 822 OD2 ASP A 99 8.630 -4.298 -10.177 1.00 0.00 O ATOM 0 H ASP A 99 7.550 -3.475 -5.363 1.00 0.00 H new ATOM 0 HA ASP A 99 6.418 -4.718 -7.786 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.383 -4.905 -7.144 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.536 -5.943 -8.274 1.00 0.00 H new ATOM 823 N LEU A 100 5.822 -6.464 -5.809 1.00 0.00 N ATOM 824 CA LEU A 100 5.750 -7.681 -4.956 1.00 0.00 C ATOM 825 C LEU A 100 6.092 -8.954 -5.776 1.00 0.00 C ATOM 826 O LEU A 100 5.270 -9.477 -6.534 1.00 0.00 O ATOM 827 CB LEU A 100 4.434 -7.809 -4.135 1.00 0.00 C ATOM 828 CG LEU A 100 4.614 -8.057 -2.611 1.00 0.00 C ATOM 829 CD1 LEU A 100 5.507 -9.267 -2.269 1.00 0.00 C ATOM 830 CD2 LEU A 100 5.127 -6.776 -1.931 1.00 0.00 C ATOM 0 H LEU A 100 4.932 -6.145 -6.192 1.00 0.00 H new ATOM 0 HA LEU A 100 6.519 -7.569 -4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.852 -6.897 -4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.846 -8.627 -4.551 1.00 0.00 H new ATOM 0 HG LEU A 100 3.630 -8.314 -2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.581 -9.370 -1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.070 -10.172 -2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.502 -9.115 -2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.251 -6.956 -0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.086 -6.492 -2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.408 -5.971 -2.082 1.00 0.00 H new ATOM 831 N LYS A 101 7.341 -9.415 -5.592 1.00 0.00 N ATOM 832 CA LYS A 101 7.863 -10.669 -6.177 1.00 0.00 C ATOM 833 C LYS A 101 8.309 -11.609 -5.023 1.00 0.00 C ATOM 834 O LYS A 101 8.747 -11.177 -3.954 1.00 0.00 O ATOM 835 CB LYS A 101 9.063 -10.374 -7.122 1.00 0.00 C ATOM 836 CG LYS A 101 8.706 -9.683 -8.455 1.00 0.00 C ATOM 837 CD LYS A 101 9.941 -9.460 -9.353 1.00 0.00 C ATOM 838 CE LYS A 101 9.637 -8.926 -10.765 1.00 0.00 C ATOM 839 NZ LYS A 101 9.133 -7.541 -10.782 1.00 0.00 N ATOM 0 H LYS A 101 8.030 -8.921 -5.024 1.00 0.00 H new ATOM 0 HA LYS A 101 7.081 -11.149 -6.765 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.778 -9.747 -6.588 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.567 -11.314 -7.344 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.976 -10.289 -8.991 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.233 -8.723 -8.248 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.612 -8.760 -8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 101 10.477 -10.404 -9.447 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.544 -8.980 -11.367 1.00 0.00 H new ATOM 0 HE3 LYS A 101 8.901 -9.576 -11.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.951 -7.250 -11.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 8.250 -7.486 -10.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 9.842 -6.908 -10.359 1.00 0.00 H new ATOM 840 N ILE A 102 8.213 -12.917 -5.286 1.00 0.00 N ATOM 841 CA ILE A 102 8.626 -13.985 -4.335 1.00 0.00 C ATOM 842 C ILE A 102 9.992 -14.611 -4.762 1.00 0.00 C ATOM 843 O ILE A 102 10.330 -14.701 -5.949 1.00 0.00 O ATOM 844 CB ILE A 102 7.524 -15.085 -4.178 1.00 0.00 C ATOM 845 CG1 ILE A 102 6.988 -15.669 -5.519 1.00 0.00 C ATOM 846 CG2 ILE A 102 6.347 -14.639 -3.282 1.00 0.00 C ATOM 847 CD1 ILE A 102 6.507 -17.103 -5.344 1.00 0.00 C ATOM 0 H ILE A 102 7.846 -13.279 -6.166 1.00 0.00 H new ATOM 0 HA ILE A 102 8.755 -13.520 -3.358 1.00 0.00 H new ATOM 0 HB ILE A 102 8.052 -15.896 -3.677 1.00 0.00 H new ATOM 0 HG12 ILE A 102 6.169 -15.051 -5.886 1.00 0.00 H new ATOM 0 HG13 ILE A 102 7.775 -15.636 -6.273 1.00 0.00 H new ATOM 0 HG21 ILE A 102 5.617 -15.445 -3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 102 6.719 -14.399 -2.286 1.00 0.00 H new ATOM 0 HG23 ILE A 102 5.874 -13.757 -3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.139 -17.482 -6.297 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.334 -17.725 -5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.703 -17.130 -4.608 1.00 0.00 H new ATOM 848 N GLN A 103 10.750 -15.078 -3.757 1.00 0.00 N ATOM 849 CA GLN A 103 12.087 -15.703 -3.959 1.00 0.00 C ATOM 850 C GLN A 103 11.938 -17.216 -4.295 1.00 0.00 C ATOM 851 O GLN A 103 11.168 -17.939 -3.650 1.00 0.00 O ATOM 852 CB GLN A 103 12.960 -15.504 -2.688 1.00 0.00 C ATOM 853 CG GLN A 103 13.408 -14.046 -2.428 1.00 0.00 C ATOM 854 CD GLN A 103 14.153 -13.851 -1.100 1.00 0.00 C ATOM 855 OE1 GLN A 103 13.548 -13.546 -0.069 1.00 0.00 O ATOM 856 NE2 GLN A 103 15.467 -14.014 -1.088 1.00 0.00 N ATOM 0 H GLN A 103 10.463 -15.038 -2.779 1.00 0.00 H new ATOM 0 HA GLN A 103 12.580 -15.218 -4.802 1.00 0.00 H new ATOM 0 HB2 GLN A 103 12.401 -15.857 -1.822 1.00 0.00 H new ATOM 0 HB3 GLN A 103 13.847 -16.132 -2.772 1.00 0.00 H new ATOM 0 HG2 GLN A 103 14.053 -13.723 -3.246 1.00 0.00 H new ATOM 0 HG3 GLN A 103 12.531 -13.399 -2.439 1.00 0.00 H new ATOM 0 HE21 GLN A 103 15.957 -14.266 -1.946 1.00 0.00 H new ATOM 0 HE22 GLN A 103 15.989 -13.887 -0.221 1.00 0.00 H new ATOM 857 N GLU A 104 12.701 -17.675 -5.303 1.00 0.00 N ATOM 858 CA GLU A 104 12.762 -19.111 -5.703 1.00 0.00 C ATOM 859 C GLU A 104 14.249 -19.557 -5.750 1.00 0.00 C ATOM 860 O GLU A 104 14.899 -19.610 -6.798 1.00 0.00 O ATOM 861 CB GLU A 104 11.917 -19.434 -6.967 1.00 0.00 C ATOM 862 CG GLU A 104 11.915 -18.490 -8.199 1.00 0.00 C ATOM 863 CD GLU A 104 13.208 -18.454 -9.014 1.00 0.00 C ATOM 864 OE1 GLU A 104 13.459 -19.397 -9.796 1.00 0.00 O ATOM 865 OE2 GLU A 104 13.988 -17.488 -8.870 1.00 0.00 O ATOM 0 H GLU A 104 13.296 -17.070 -5.869 1.00 0.00 H new ATOM 0 HA GLU A 104 12.272 -19.725 -4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.235 -20.415 -7.319 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.882 -19.532 -6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.100 -18.787 -8.859 1.00 0.00 H new ATOM 0 HG3 GLU A 104 11.695 -17.479 -7.857 1.00 0.00 H new ATOM 866 N ARG A 105 14.760 -19.863 -4.548 1.00 0.00 N ATOM 867 CA ARG A 105 16.191 -20.180 -4.312 1.00 0.00 C ATOM 868 C ARG A 105 16.246 -21.533 -3.570 1.00 0.00 C ATOM 869 O ARG A 105 16.101 -21.573 -2.325 1.00 0.00 O ATOM 870 CB ARG A 105 16.851 -18.987 -3.565 1.00 0.00 C ATOM 871 CG ARG A 105 18.382 -19.082 -3.398 1.00 0.00 C ATOM 872 CD ARG A 105 18.977 -17.810 -2.763 1.00 0.00 C ATOM 873 NE ARG A 105 20.455 -17.888 -2.662 1.00 0.00 N ATOM 874 CZ ARG A 105 21.237 -16.900 -2.181 1.00 0.00 C ATOM 875 NH1 ARG A 105 20.769 -15.745 -1.708 1.00 0.00 N ATOM 876 NH2 ARG A 105 22.545 -17.087 -2.177 1.00 0.00 N ATOM 877 OXT ARG A 105 16.429 -22.574 -4.241 1.00 0.00 O ATOM 0 H ARG A 105 14.193 -19.900 -3.701 1.00 0.00 H new ATOM 0 HA ARG A 105 16.767 -20.300 -5.229 1.00 0.00 H new ATOM 0 HB2 ARG A 105 16.617 -18.068 -4.103 1.00 0.00 H new ATOM 0 HB3 ARG A 105 16.398 -18.903 -2.577 1.00 0.00 H new ATOM 0 HG2 ARG A 105 18.626 -19.944 -2.777 1.00 0.00 H new ATOM 0 HG3 ARG A 105 18.843 -19.250 -4.372 1.00 0.00 H new ATOM 0 HD2 ARG A 105 18.698 -16.941 -3.359 1.00 0.00 H new ATOM 0 HD3 ARG A 105 18.551 -17.665 -1.770 1.00 0.00 H new ATOM 0 HE ARG A 105 20.910 -18.745 -2.977 1.00 0.00 H new ATOM 0 HH11 ARG A 105 19.764 -15.568 -1.696 1.00 0.00 H new ATOM 0 HH12 ARG A 105 21.415 -15.038 -1.358 1.00 0.00 H new ATOM 0 HH21 ARG A 105 22.936 -17.960 -2.531 1.00 0.00 H new ATOM 0 HH22 ARG A 105 23.163 -16.359 -1.820 1.00 0.00 H new