USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=17 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 82 LYS NZ :NH3+ -155:sc= 0.402 (180deg=0) USER MOD Set 1.2: A 84 SER OG : rot 180:sc= 0.378 USER MOD Set 1.3: A 92 ASN : amide:sc= 0 X(o=0.78,f=0.33) USER MOD Set 2.1: A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: 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 180:sc= 0.073 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0462 X(o=-0.046,f=-0.046) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 46:sc= 0.433 USER MOD Single : A 39 SER OG : rot 4:sc= 0.119 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.1) 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 -47:sc= 0.287 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 76:sc= 1.38 USER MOD Single : A 61 LYS NZ :NH3+ 145:sc= 0.024 (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 33:sc= 0.575 USER MOD Single : A 69 LYS NZ :NH3+ -123:sc= 0.00804 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0447 K(o=-0.045,f=-1.5) USER MOD Single : A 81 TYR OH : rot -70:sc= 0.662 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 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 14.191 4.117 -9.198 1.00 0.00 N ATOM 35 CA ASN A 5 12.763 4.555 -9.276 1.00 0.00 C ATOM 36 C ASN A 5 11.820 3.328 -9.088 1.00 0.00 C ATOM 37 O ASN A 5 11.011 2.970 -9.942 1.00 0.00 O ATOM 38 CB ASN A 5 12.501 5.293 -10.609 1.00 0.00 C ATOM 39 CG ASN A 5 13.245 6.631 -10.817 1.00 0.00 C ATOM 40 OD1 ASN A 5 13.050 7.596 -10.079 1.00 0.00 O ATOM 41 ND2 ASN A 5 14.110 6.712 -11.820 1.00 0.00 N ATOM 0 HA ASN A 5 12.552 5.259 -8.471 1.00 0.00 H new ATOM 0 HB2 ASN A 5 12.768 4.624 -11.427 1.00 0.00 H new ATOM 0 HB3 ASN A 5 11.431 5.482 -10.689 1.00 0.00 H new ATOM 0 HD21 ASN A 5 14.620 7.580 -11.985 1.00 0.00 H new ATOM 0 HD22 ASN A 5 14.265 5.906 -12.426 1.00 0.00 H new ATOM 42 N ALA A 6 11.973 2.658 -7.943 1.00 0.00 N ATOM 43 CA ALA A 6 11.325 1.358 -7.632 1.00 0.00 C ATOM 44 C ALA A 6 11.701 0.827 -6.225 1.00 0.00 C ATOM 45 O ALA A 6 12.827 1.009 -5.742 1.00 0.00 O ATOM 46 CB ALA A 6 11.687 0.254 -8.668 1.00 0.00 C ATOM 0 H ALA A 6 12.561 3.002 -7.183 1.00 0.00 H new ATOM 0 HA ALA A 6 10.256 1.565 -7.670 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.189 -0.677 -8.397 1.00 0.00 H new ATOM 0 HB2 ALA A 6 11.360 0.565 -9.660 1.00 0.00 H new ATOM 0 HB3 ALA A 6 12.766 0.100 -8.673 1.00 0.00 H new ATOM 47 N LEU A 7 10.761 0.061 -5.639 1.00 0.00 N ATOM 48 CA LEU A 7 11.076 -0.958 -4.611 1.00 0.00 C ATOM 49 C LEU A 7 10.996 -2.367 -5.277 1.00 0.00 C ATOM 50 O LEU A 7 9.966 -2.767 -5.834 1.00 0.00 O ATOM 51 CB LEU A 7 10.101 -0.821 -3.398 1.00 0.00 C ATOM 52 CG LEU A 7 10.242 -1.903 -2.293 1.00 0.00 C ATOM 53 CD1 LEU A 7 11.646 -1.953 -1.646 1.00 0.00 C ATOM 54 CD2 LEU A 7 9.201 -1.826 -1.165 1.00 0.00 C ATOM 0 H LEU A 7 9.768 0.128 -5.861 1.00 0.00 H new ATOM 0 HA LEU A 7 12.083 -0.814 -4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.252 0.158 -2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.078 -0.843 -3.774 1.00 0.00 H new ATOM 0 HG LEU A 7 10.063 -2.818 -2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 7 11.668 -2.732 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 7 12.391 -2.172 -2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 7 11.869 -0.990 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.385 -2.623 -0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.277 -0.861 -0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.201 -1.940 -1.584 1.00 0.00 H new ATOM 55 N GLU A 8 12.068 -3.156 -5.076 1.00 0.00 N ATOM 56 CA GLU A 8 11.996 -4.646 -5.079 1.00 0.00 C ATOM 57 C GLU A 8 11.435 -5.111 -3.702 1.00 0.00 C ATOM 58 O GLU A 8 12.069 -4.927 -2.656 1.00 0.00 O ATOM 59 CB GLU A 8 13.395 -5.279 -5.263 1.00 0.00 C ATOM 60 CG GLU A 8 14.122 -5.018 -6.599 1.00 0.00 C ATOM 61 CD GLU A 8 15.546 -5.582 -6.568 1.00 0.00 C ATOM 62 OE1 GLU A 8 15.724 -6.806 -6.764 1.00 0.00 O ATOM 63 OE2 GLU A 8 16.498 -4.806 -6.329 1.00 0.00 O ATOM 0 H GLU A 8 13.006 -2.791 -4.907 1.00 0.00 H new ATOM 0 HA GLU A 8 11.358 -4.959 -5.905 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.035 -4.922 -4.456 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.296 -6.357 -5.138 1.00 0.00 H new ATOM 0 HG2 GLU A 8 13.564 -5.475 -7.416 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.156 -3.946 -6.796 1.00 0.00 H new ATOM 64 N THR A 9 10.215 -5.657 -3.711 1.00 0.00 N ATOM 65 CA THR A 9 9.368 -5.787 -2.491 1.00 0.00 C ATOM 66 C THR A 9 9.514 -7.239 -1.959 1.00 0.00 C ATOM 67 O THR A 9 8.878 -8.167 -2.468 1.00 0.00 O ATOM 68 CB THR A 9 7.894 -5.372 -2.797 1.00 0.00 C ATOM 69 OG1 THR A 9 7.833 -4.135 -3.506 1.00 0.00 O ATOM 70 CG2 THR A 9 7.019 -5.207 -1.551 1.00 0.00 C ATOM 0 H THR A 9 9.775 -6.024 -4.555 1.00 0.00 H new ATOM 0 HA THR A 9 9.697 -5.107 -1.706 1.00 0.00 H new ATOM 0 HB THR A 9 7.509 -6.198 -3.395 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.897 -3.905 -3.683 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.011 -4.918 -1.850 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.980 -6.150 -1.006 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.442 -4.435 -0.909 1.00 0.00 H new ATOM 71 N TRP A 10 10.388 -7.424 -0.952 1.00 0.00 N ATOM 72 CA TRP A 10 10.870 -8.768 -0.539 1.00 0.00 C ATOM 73 C TRP A 10 10.011 -9.400 0.587 1.00 0.00 C ATOM 74 O TRP A 10 9.589 -8.730 1.538 1.00 0.00 O ATOM 75 CB TRP A 10 12.368 -8.707 -0.120 1.00 0.00 C ATOM 76 CG TRP A 10 13.339 -8.633 -1.304 1.00 0.00 C ATOM 77 CD1 TRP A 10 14.006 -7.481 -1.762 1.00 0.00 C ATOM 78 CD2 TRP A 10 13.699 -9.647 -2.175 1.00 0.00 C ATOM 79 NE1 TRP A 10 14.780 -7.749 -2.904 1.00 0.00 N ATOM 80 CE2 TRP A 10 14.576 -9.100 -3.145 1.00 0.00 C ATOM 81 CE3 TRP A 10 13.310 -11.013 -2.244 1.00 0.00 C ATOM 82 CZ2 TRP A 10 15.077 -9.914 -4.188 1.00 0.00 C ATOM 83 CZ3 TRP A 10 13.811 -11.790 -3.287 1.00 0.00 C ATOM 84 CH2 TRP A 10 14.685 -11.252 -4.242 1.00 0.00 C ATOM 0 H TRP A 10 10.780 -6.659 -0.403 1.00 0.00 H new ATOM 0 HA TRP A 10 10.768 -9.417 -1.408 1.00 0.00 H new ATOM 0 HB2 TRP A 10 12.522 -7.837 0.519 1.00 0.00 H new ATOM 0 HB3 TRP A 10 12.605 -9.587 0.478 1.00 0.00 H new ATOM 0 HD1 TRP A 10 13.932 -6.511 -1.293 1.00 0.00 H new ATOM 0 HE1 TRP A 10 15.360 -7.099 -3.435 1.00 0.00 H new ATOM 0 HE3 TRP A 10 12.644 -11.437 -1.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 15.750 -9.507 -4.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 13.520 -12.827 -3.361 1.00 0.00 H new ATOM 0 HH2 TRP A 10 15.061 -11.884 -5.033 1.00 0.00 H new ATOM 85 N GLY A 11 9.804 -10.717 0.457 1.00 0.00 N ATOM 86 CA GLY A 11 9.042 -11.522 1.429 1.00 0.00 C ATOM 87 C GLY A 11 8.284 -12.657 0.714 1.00 0.00 C ATOM 88 O GLY A 11 7.738 -12.480 -0.381 1.00 0.00 O ATOM 0 H GLY A 11 10.161 -11.260 -0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.719 -11.941 2.173 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.336 -10.886 1.963 1.00 0.00 H new ATOM 89 N ALA A 12 8.276 -13.838 1.349 1.00 0.00 N ATOM 90 CA ALA A 12 8.010 -15.124 0.652 1.00 0.00 C ATOM 91 C ALA A 12 6.510 -15.467 0.379 1.00 0.00 C ATOM 92 O ALA A 12 5.579 -14.767 0.783 1.00 0.00 O ATOM 93 CB ALA A 12 8.753 -16.205 1.474 1.00 0.00 C ATOM 0 H ALA A 12 8.451 -13.939 2.349 1.00 0.00 H new ATOM 0 HA ALA A 12 8.383 -15.059 -0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.599 -17.181 1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.819 -15.978 1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.365 -16.218 2.493 1.00 0.00 H new ATOM 94 N LEU A 13 6.325 -16.591 -0.334 1.00 0.00 N ATOM 95 CA LEU A 13 5.011 -17.218 -0.676 1.00 0.00 C ATOM 96 C LEU A 13 4.379 -17.818 0.617 1.00 0.00 C ATOM 97 O LEU A 13 4.949 -18.693 1.276 1.00 0.00 O ATOM 98 CB LEU A 13 5.384 -18.287 -1.730 1.00 0.00 C ATOM 99 CG LEU A 13 4.397 -19.098 -2.594 1.00 0.00 C ATOM 100 CD1 LEU A 13 5.162 -20.010 -3.571 1.00 0.00 C ATOM 101 CD2 LEU A 13 3.404 -19.967 -1.807 1.00 0.00 C ATOM 0 H LEU A 13 7.112 -17.119 -0.709 1.00 0.00 H new ATOM 0 HA LEU A 13 4.263 -16.530 -1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.047 -17.785 -2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.984 -19.026 -1.199 1.00 0.00 H new ATOM 0 HG LEU A 13 3.811 -18.343 -3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.451 -20.575 -4.173 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.787 -19.401 -4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.790 -20.700 -3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.754 -20.497 -2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.952 -20.688 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.800 -19.333 -1.158 1.00 0.00 H new ATOM 102 N GLY A 14 3.217 -17.273 0.970 1.00 0.00 N ATOM 103 CA GLY A 14 2.541 -17.548 2.263 1.00 0.00 C ATOM 104 C GLY A 14 2.915 -16.525 3.351 1.00 0.00 C ATOM 105 O GLY A 14 3.699 -16.837 4.252 1.00 0.00 O ATOM 0 H GLY A 14 2.705 -16.623 0.373 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.461 -17.538 2.115 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.807 -18.549 2.603 1.00 0.00 H new ATOM 106 N GLN A 15 2.358 -15.301 3.242 1.00 0.00 N ATOM 107 CA GLN A 15 2.753 -14.166 4.120 1.00 0.00 C ATOM 108 C GLN A 15 1.609 -13.106 4.210 1.00 0.00 C ATOM 109 O GLN A 15 0.634 -13.122 3.448 1.00 0.00 O ATOM 110 CB GLN A 15 4.096 -13.563 3.576 1.00 0.00 C ATOM 111 CG GLN A 15 5.066 -12.946 4.612 1.00 0.00 C ATOM 112 CD GLN A 15 5.784 -13.994 5.484 1.00 0.00 C ATOM 113 OE1 GLN A 15 6.704 -14.675 5.029 1.00 0.00 O ATOM 114 NE2 GLN A 15 5.386 -14.147 6.737 1.00 0.00 N ATOM 0 H GLN A 15 1.636 -15.068 2.560 1.00 0.00 H new ATOM 0 HA GLN A 15 2.918 -14.514 5.140 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.628 -14.351 3.042 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.849 -12.793 2.845 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.812 -12.349 4.088 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.510 -12.267 5.258 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.623 -13.577 7.103 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.842 -14.834 7.337 1.00 0.00 H new ATOM 115 N ASP A 16 1.757 -12.133 5.127 1.00 0.00 N ATOM 116 CA ASP A 16 1.146 -10.790 4.956 1.00 0.00 C ATOM 117 C ASP A 16 2.270 -9.805 4.534 1.00 0.00 C ATOM 118 O ASP A 16 3.290 -9.679 5.222 1.00 0.00 O ATOM 119 CB ASP A 16 0.415 -10.344 6.243 1.00 0.00 C ATOM 120 CG ASP A 16 -0.289 -8.975 6.240 1.00 0.00 C ATOM 121 OD1 ASP A 16 -0.590 -8.414 5.158 1.00 0.00 O ATOM 122 OD2 ASP A 16 -0.562 -8.462 7.345 1.00 0.00 O ATOM 0 H ASP A 16 2.289 -12.244 5.990 1.00 0.00 H new ATOM 0 HA ASP A 16 0.383 -10.811 4.178 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.331 -11.102 6.482 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.141 -10.344 7.056 1.00 0.00 H new ATOM 123 N ILE A 17 2.047 -9.108 3.405 1.00 0.00 N ATOM 124 CA ILE A 17 3.040 -8.144 2.842 1.00 0.00 C ATOM 125 C ILE A 17 2.361 -6.747 2.841 1.00 0.00 C ATOM 126 O ILE A 17 1.397 -6.505 2.112 1.00 0.00 O ATOM 127 CB ILE A 17 3.562 -8.608 1.436 1.00 0.00 C ATOM 128 CG1 ILE A 17 4.335 -9.960 1.471 1.00 0.00 C ATOM 129 CG2 ILE A 17 4.394 -7.550 0.656 1.00 0.00 C ATOM 130 CD1 ILE A 17 5.657 -10.020 2.243 1.00 0.00 C ATOM 0 H ILE A 17 1.191 -9.187 2.856 1.00 0.00 H new ATOM 0 HA ILE A 17 3.942 -8.095 3.451 1.00 0.00 H new ATOM 0 HB ILE A 17 2.634 -8.751 0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.669 -10.713 1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.538 -10.254 0.441 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.708 -7.967 -0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.784 -6.663 0.483 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.274 -7.277 1.239 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.073 -11.025 2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.361 -9.306 1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.479 -9.772 3.289 1.00 0.00 H new ATOM 131 N ASN A 18 2.914 -5.831 3.649 1.00 0.00 N ATOM 132 CA ASN A 18 2.386 -4.453 3.805 1.00 0.00 C ATOM 133 C ASN A 18 3.016 -3.495 2.750 1.00 0.00 C ATOM 134 O ASN A 18 4.239 -3.504 2.548 1.00 0.00 O ATOM 135 CB ASN A 18 2.668 -4.012 5.271 1.00 0.00 C ATOM 136 CG ASN A 18 1.917 -2.746 5.737 1.00 0.00 C ATOM 137 OD1 ASN A 18 2.131 -1.646 5.229 1.00 0.00 O ATOM 138 ND2 ASN A 18 1.026 -2.871 6.710 1.00 0.00 N ATOM 0 H ASN A 18 3.741 -6.017 4.216 1.00 0.00 H new ATOM 0 HA ASN A 18 1.312 -4.418 3.623 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.407 -4.835 5.937 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.739 -3.840 5.381 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.514 -2.053 7.041 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.852 -3.785 7.128 1.00 0.00 H new ATOM 139 N LEU A 19 2.177 -2.638 2.125 1.00 0.00 N ATOM 140 CA LEU A 19 2.656 -1.500 1.293 1.00 0.00 C ATOM 141 C LEU A 19 2.364 -0.171 2.030 1.00 0.00 C ATOM 142 O LEU A 19 1.210 0.254 2.120 1.00 0.00 O ATOM 143 CB LEU A 19 2.125 -1.483 -0.183 1.00 0.00 C ATOM 144 CG LEU A 19 2.883 -2.368 -1.217 1.00 0.00 C ATOM 145 CD1 LEU A 19 4.419 -2.341 -1.132 1.00 0.00 C ATOM 146 CD2 LEU A 19 2.412 -3.809 -1.266 1.00 0.00 C ATOM 0 H LEU A 19 1.161 -2.710 2.179 1.00 0.00 H new ATOM 0 HA LEU A 19 3.731 -1.633 1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.081 -1.795 -0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.146 -0.453 -0.539 1.00 0.00 H new ATOM 0 HG LEU A 19 2.610 -1.873 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.837 -2.993 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.774 -1.322 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.735 -2.688 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.991 -4.356 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.550 -4.270 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.356 -3.838 -1.534 1.00 0.00 H new ATOM 147 N ASP A 20 3.434 0.488 2.514 1.00 0.00 N ATOM 148 CA ASP A 20 3.368 1.860 3.073 1.00 0.00 C ATOM 149 C ASP A 20 4.498 2.690 2.394 1.00 0.00 C ATOM 150 O ASP A 20 5.642 2.690 2.862 1.00 0.00 O ATOM 151 CB ASP A 20 3.483 1.794 4.623 1.00 0.00 C ATOM 152 CG ASP A 20 3.423 3.152 5.344 1.00 0.00 C ATOM 153 OD1 ASP A 20 2.368 3.827 5.298 1.00 0.00 O ATOM 154 OD2 ASP A 20 4.439 3.558 5.951 1.00 0.00 O ATOM 0 H ASP A 20 4.372 0.087 2.530 1.00 0.00 H new ATOM 0 HA ASP A 20 2.417 2.350 2.866 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.680 1.163 5.004 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.422 1.305 4.881 1.00 0.00 H new ATOM 155 N ILE A 21 4.158 3.437 1.323 1.00 0.00 N ATOM 156 CA ILE A 21 4.993 4.581 0.839 1.00 0.00 C ATOM 157 C ILE A 21 4.872 5.919 1.671 1.00 0.00 C ATOM 158 O ILE A 21 5.924 6.560 1.781 1.00 0.00 O ATOM 159 CB ILE A 21 4.868 4.808 -0.714 1.00 0.00 C ATOM 160 CG1 ILE A 21 5.971 5.714 -1.348 1.00 0.00 C ATOM 161 CG2 ILE A 21 3.487 5.371 -1.140 1.00 0.00 C ATOM 162 CD1 ILE A 21 7.438 5.297 -1.155 1.00 0.00 C ATOM 0 H ILE A 21 3.315 3.277 0.771 1.00 0.00 H new ATOM 0 HA ILE A 21 6.015 4.257 1.034 1.00 0.00 H new ATOM 0 HB ILE A 21 5.001 3.798 -1.101 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.779 5.777 -2.419 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.852 6.719 -0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.466 5.504 -2.222 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.703 4.673 -0.845 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.320 6.332 -0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 21 8.089 6.018 -1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.671 5.267 -0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.596 4.310 -1.589 1.00 0.00 H new ATOM 163 N PRO A 22 3.721 6.439 2.217 1.00 0.00 N ATOM 164 CA PRO A 22 3.612 7.859 2.657 1.00 0.00 C ATOM 165 C PRO A 22 4.378 8.215 3.966 1.00 0.00 C ATOM 166 O PRO A 22 5.057 7.383 4.576 1.00 0.00 O ATOM 167 CB PRO A 22 2.083 8.085 2.677 1.00 0.00 C ATOM 168 CG PRO A 22 1.484 6.716 2.970 1.00 0.00 C ATOM 169 CD PRO A 22 2.415 5.748 2.249 1.00 0.00 C ATOM 0 HA PRO A 22 4.121 8.552 1.988 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.802 8.810 3.441 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.729 8.474 1.722 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.450 6.515 4.041 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.462 6.639 2.599 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.483 4.797 2.777 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.057 5.530 1.243 1.00 0.00 H new ATOM 170 N SER A 23 4.317 9.514 4.305 1.00 0.00 N ATOM 171 CA SER A 23 5.325 10.233 5.145 1.00 0.00 C ATOM 172 C SER A 23 6.568 10.748 4.335 1.00 0.00 C ATOM 173 O SER A 23 7.701 10.731 4.831 1.00 0.00 O ATOM 174 CB SER A 23 5.684 9.581 6.509 1.00 0.00 C ATOM 175 OG SER A 23 4.518 9.301 7.276 1.00 0.00 O ATOM 0 H SER A 23 3.553 10.118 4.002 1.00 0.00 H new ATOM 0 HA SER A 23 4.781 11.125 5.456 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.238 8.658 6.338 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.339 10.247 7.071 1.00 0.00 H new ATOM 0 HG SER A 23 4.777 8.890 8.127 1.00 0.00 H new ATOM 176 N PHE A 24 6.333 11.314 3.129 1.00 0.00 N ATOM 177 CA PHE A 24 7.197 12.382 2.552 1.00 0.00 C ATOM 178 C PHE A 24 6.291 13.631 2.301 1.00 0.00 C ATOM 179 O PHE A 24 6.043 14.032 1.158 1.00 0.00 O ATOM 180 CB PHE A 24 7.920 11.816 1.291 1.00 0.00 C ATOM 181 CG PHE A 24 9.079 12.681 0.763 1.00 0.00 C ATOM 182 CD1 PHE A 24 10.338 12.606 1.372 1.00 0.00 C ATOM 183 CD2 PHE A 24 8.901 13.531 -0.334 1.00 0.00 C ATOM 184 CE1 PHE A 24 11.398 13.371 0.893 1.00 0.00 C ATOM 185 CE2 PHE A 24 9.963 14.292 -0.815 1.00 0.00 C ATOM 186 CZ PHE A 24 11.210 14.212 -0.201 1.00 0.00 C ATOM 0 H PHE A 24 5.550 11.051 2.531 1.00 0.00 H new ATOM 0 HA PHE A 24 7.996 12.704 3.220 1.00 0.00 H new ATOM 0 HB2 PHE A 24 8.305 10.824 1.526 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.186 11.693 0.494 1.00 0.00 H new ATOM 0 HD1 PHE A 24 10.487 11.951 2.218 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.934 13.597 -0.810 1.00 0.00 H new ATOM 0 HE1 PHE A 24 12.365 13.312 1.369 1.00 0.00 H new ATOM 0 HE2 PHE A 24 9.820 14.944 -1.664 1.00 0.00 H new ATOM 0 HZ PHE A 24 12.033 14.803 -0.574 1.00 0.00 H new ATOM 187 N GLN A 25 5.759 14.206 3.400 1.00 0.00 N ATOM 188 CA GLN A 25 4.635 15.183 3.388 1.00 0.00 C ATOM 189 C GLN A 25 4.333 15.593 4.866 1.00 0.00 C ATOM 190 O GLN A 25 4.522 14.813 5.809 1.00 0.00 O ATOM 191 CB GLN A 25 3.347 14.623 2.681 1.00 0.00 C ATOM 192 CG GLN A 25 2.214 15.627 2.349 1.00 0.00 C ATOM 193 CD GLN A 25 2.622 16.821 1.465 1.00 0.00 C ATOM 194 OE1 GLN A 25 3.179 16.658 0.379 1.00 0.00 O ATOM 195 NE2 GLN A 25 2.351 18.039 1.911 1.00 0.00 N ATOM 0 H GLN A 25 6.100 14.005 4.340 1.00 0.00 H new ATOM 0 HA GLN A 25 4.934 16.053 2.803 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.656 14.146 1.751 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.928 13.842 3.316 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.409 15.087 1.851 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.808 16.012 3.284 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.889 18.161 2.812 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.604 18.854 1.353 1.00 0.00 H new ATOM 196 N MET A 26 3.782 16.809 5.058 1.00 0.00 N ATOM 197 CA MET A 26 3.238 17.259 6.373 1.00 0.00 C ATOM 198 C MET A 26 2.017 16.394 6.815 1.00 0.00 C ATOM 199 O MET A 26 1.135 16.079 6.006 1.00 0.00 O ATOM 200 CB MET A 26 2.822 18.757 6.323 1.00 0.00 C ATOM 201 CG MET A 26 3.971 19.765 6.126 1.00 0.00 C ATOM 202 SD MET A 26 3.310 21.446 6.103 1.00 0.00 S ATOM 203 CE MET A 26 2.855 21.643 4.365 1.00 0.00 C ATOM 0 H MET A 26 3.698 17.507 4.319 1.00 0.00 H new ATOM 0 HA MET A 26 4.035 17.134 7.106 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.105 18.889 5.513 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.304 19.002 7.250 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.700 19.662 6.930 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.494 19.557 5.193 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.434 22.636 4.210 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.741 21.523 3.741 1.00 0.00 H new ATOM 0 HE3 MET A 26 2.116 20.889 4.095 1.00 0.00 H new ATOM 204 N SER A 27 2.000 16.001 8.101 1.00 0.00 N ATOM 205 CA SER A 27 1.040 14.990 8.639 1.00 0.00 C ATOM 206 C SER A 27 -0.486 15.331 8.618 1.00 0.00 C ATOM 207 O SER A 27 -1.295 14.397 8.667 1.00 0.00 O ATOM 208 CB SER A 27 1.471 14.585 10.070 1.00 0.00 C ATOM 209 OG SER A 27 2.784 14.033 10.090 1.00 0.00 O ATOM 0 H SER A 27 2.644 16.367 8.803 1.00 0.00 H new ATOM 0 HA SER A 27 1.111 14.169 7.925 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.434 15.458 10.722 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.765 13.858 10.470 1.00 0.00 H new ATOM 0 HG SER A 27 3.023 13.791 11.009 1.00 0.00 H new ATOM 210 N ASP A 28 -0.892 16.613 8.533 1.00 0.00 N ATOM 211 CA ASP A 28 -2.320 17.019 8.415 1.00 0.00 C ATOM 212 C ASP A 28 -2.986 16.696 7.036 1.00 0.00 C ATOM 213 O ASP A 28 -4.098 16.160 7.035 1.00 0.00 O ATOM 214 CB ASP A 28 -2.423 18.522 8.799 1.00 0.00 C ATOM 215 CG ASP A 28 -3.852 19.070 8.940 1.00 0.00 C ATOM 216 OD1 ASP A 28 -4.430 18.973 10.045 1.00 0.00 O ATOM 217 OD2 ASP A 28 -4.397 19.601 7.947 1.00 0.00 O ATOM 0 H ASP A 28 -0.245 17.401 8.544 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.902 16.411 9.107 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.899 18.675 9.742 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.900 19.109 8.044 1.00 0.00 H new ATOM 218 N ASP A 29 -2.360 17.064 5.894 1.00 0.00 N ATOM 219 CA ASP A 29 -3.054 17.128 4.577 1.00 0.00 C ATOM 220 C ASP A 29 -2.635 15.948 3.655 1.00 0.00 C ATOM 221 O ASP A 29 -1.878 16.111 2.695 1.00 0.00 O ATOM 222 CB ASP A 29 -2.822 18.518 3.915 1.00 0.00 C ATOM 223 CG ASP A 29 -3.508 19.699 4.615 1.00 0.00 C ATOM 224 OD1 ASP A 29 -4.720 19.918 4.392 1.00 0.00 O ATOM 225 OD2 ASP A 29 -2.839 20.410 5.397 1.00 0.00 O ATOM 0 H ASP A 29 -1.374 17.322 5.853 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.126 17.018 4.740 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.750 18.711 3.879 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.173 18.474 2.884 1.00 0.00 H new ATOM 226 N ILE A 30 -3.192 14.762 3.952 1.00 0.00 N ATOM 227 CA ILE A 30 -3.124 13.561 3.070 1.00 0.00 C ATOM 228 C ILE A 30 -4.482 12.804 3.191 1.00 0.00 C ATOM 229 O ILE A 30 -4.880 12.406 4.289 1.00 0.00 O ATOM 230 CB ILE A 30 -1.891 12.604 3.278 1.00 0.00 C ATOM 231 CG1 ILE A 30 -1.704 11.908 4.664 1.00 0.00 C ATOM 232 CG2 ILE A 30 -0.567 13.208 2.765 1.00 0.00 C ATOM 233 CD1 ILE A 30 -1.400 12.794 5.882 1.00 0.00 C ATOM 0 H ILE A 30 -3.709 14.598 4.816 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.955 13.925 2.057 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.184 11.770 2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.612 11.344 4.880 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.895 11.184 4.568 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.245 12.502 2.936 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.650 13.414 1.698 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.360 14.136 3.298 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.297 12.170 6.769 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.472 13.340 5.712 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.215 13.502 6.029 1.00 0.00 H new ATOM 234 N ASP A 31 -5.170 12.595 2.049 1.00 0.00 N ATOM 235 CA ASP A 31 -6.418 11.774 1.981 1.00 0.00 C ATOM 236 C ASP A 31 -6.170 10.415 1.249 1.00 0.00 C ATOM 237 O ASP A 31 -6.460 9.352 1.806 1.00 0.00 O ATOM 238 CB ASP A 31 -7.598 12.569 1.345 1.00 0.00 C ATOM 239 CG ASP A 31 -9.020 11.977 1.462 1.00 0.00 C ATOM 240 OD1 ASP A 31 -9.189 10.738 1.438 1.00 0.00 O ATOM 241 OD2 ASP A 31 -9.984 12.769 1.559 1.00 0.00 O ATOM 0 H ASP A 31 -4.887 12.983 1.149 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.709 11.540 3.005 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.612 13.562 1.795 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.378 12.702 0.286 1.00 0.00 H new ATOM 242 N ASP A 32 -5.724 10.473 -0.021 1.00 0.00 N ATOM 243 CA ASP A 32 -5.993 9.420 -1.041 1.00 0.00 C ATOM 244 C ASP A 32 -4.683 8.638 -1.336 1.00 0.00 C ATOM 245 O ASP A 32 -3.644 9.240 -1.631 1.00 0.00 O ATOM 246 CB ASP A 32 -6.506 10.082 -2.360 1.00 0.00 C ATOM 247 CG ASP A 32 -7.615 11.151 -2.275 1.00 0.00 C ATOM 248 OD1 ASP A 32 -8.611 10.949 -1.547 1.00 0.00 O ATOM 249 OD2 ASP A 32 -7.489 12.207 -2.933 1.00 0.00 O ATOM 0 H ASP A 32 -5.166 11.249 -0.377 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.751 8.736 -0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.648 10.536 -2.856 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.866 9.285 -3.011 1.00 0.00 H new ATOM 250 N ILE A 33 -4.740 7.298 -1.219 1.00 0.00 N ATOM 251 CA ILE A 33 -3.550 6.417 -1.396 1.00 0.00 C ATOM 252 C ILE A 33 -4.001 5.330 -2.421 1.00 0.00 C ATOM 253 O ILE A 33 -4.778 4.425 -2.092 1.00 0.00 O ATOM 254 CB ILE A 33 -2.985 5.894 -0.021 1.00 0.00 C ATOM 255 CG1 ILE A 33 -2.291 6.985 0.862 1.00 0.00 C ATOM 256 CG2 ILE A 33 -1.947 4.759 -0.215 1.00 0.00 C ATOM 257 CD1 ILE A 33 -3.187 7.938 1.670 1.00 0.00 C ATOM 0 H ILE A 33 -5.598 6.791 -1.002 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.681 6.939 -1.795 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.879 5.542 0.493 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.628 6.476 1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.661 7.591 0.210 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.583 4.428 0.758 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.416 3.921 -0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.111 5.128 -0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.564 8.636 2.230 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.833 8.494 0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.800 7.361 2.363 1.00 0.00 H new ATOM 258 N LYS A 34 -3.485 5.442 -3.658 1.00 0.00 N ATOM 259 CA LYS A 34 -3.927 4.628 -4.822 1.00 0.00 C ATOM 260 C LYS A 34 -2.858 3.587 -5.220 1.00 0.00 C ATOM 261 O LYS A 34 -1.680 3.924 -5.347 1.00 0.00 O ATOM 262 CB LYS A 34 -4.203 5.626 -5.983 1.00 0.00 C ATOM 263 CG LYS A 34 -4.488 5.048 -7.392 1.00 0.00 C ATOM 264 CD LYS A 34 -4.811 6.146 -8.422 1.00 0.00 C ATOM 265 CE LYS A 34 -4.958 5.600 -9.847 1.00 0.00 C ATOM 266 NZ LYS A 34 -5.390 6.648 -10.785 1.00 0.00 N ATOM 0 H LYS A 34 -2.743 6.103 -3.888 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.824 4.059 -4.577 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.055 6.242 -5.697 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.342 6.290 -6.063 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.622 4.479 -7.731 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.324 4.351 -7.334 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.734 6.648 -8.133 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.021 6.897 -8.405 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.007 5.184 -10.178 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.682 4.785 -9.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.479 6.244 -11.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.310 7.027 -10.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.687 7.414 -10.798 1.00 0.00 H new ATOM 267 N TRP A 35 -3.305 2.344 -5.487 1.00 0.00 N ATOM 268 CA TRP A 35 -2.393 1.218 -5.822 1.00 0.00 C ATOM 269 C TRP A 35 -2.936 0.432 -7.058 1.00 0.00 C ATOM 270 O TRP A 35 -4.020 -0.168 -7.042 1.00 0.00 O ATOM 271 CB TRP A 35 -2.174 0.345 -4.558 1.00 0.00 C ATOM 272 CG TRP A 35 -1.182 0.967 -3.543 1.00 0.00 C ATOM 273 CD1 TRP A 35 -1.452 1.685 -2.373 1.00 0.00 C ATOM 274 CD2 TRP A 35 0.177 0.849 -3.539 1.00 0.00 C ATOM 275 NE1 TRP A 35 -0.317 2.044 -1.648 1.00 0.00 N ATOM 276 CE2 TRP A 35 0.696 1.526 -2.399 1.00 0.00 C ATOM 277 CE3 TRP A 35 1.005 0.045 -4.318 1.00 0.00 C ATOM 278 CZ2 TRP A 35 2.057 1.432 -2.074 1.00 0.00 C ATOM 279 CZ3 TRP A 35 2.347 -0.059 -3.986 1.00 0.00 C ATOM 280 CH2 TRP A 35 2.858 0.609 -2.871 1.00 0.00 C ATOM 0 H TRP A 35 -4.292 2.088 -5.479 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.412 1.588 -6.120 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.133 0.185 -4.066 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -1.805 -0.634 -4.862 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.454 1.939 -2.059 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.259 2.565 -0.773 1.00 0.00 H new ATOM 0 HE3 TRP A 35 0.608 -0.490 -5.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.471 1.976 -1.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 3.004 -0.662 -4.595 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.901 0.486 -2.618 1.00 0.00 H new ATOM 281 N GLU A 36 -2.126 0.484 -8.132 1.00 0.00 N ATOM 282 CA GLU A 36 -2.470 -0.019 -9.495 1.00 0.00 C ATOM 283 C GLU A 36 -1.631 -1.283 -9.882 1.00 0.00 C ATOM 284 O GLU A 36 -0.776 -1.715 -9.109 1.00 0.00 O ATOM 285 CB GLU A 36 -2.189 1.114 -10.528 1.00 0.00 C ATOM 286 CG GLU A 36 -3.020 2.405 -10.407 1.00 0.00 C ATOM 287 CD GLU A 36 -2.764 3.325 -11.600 1.00 0.00 C ATOM 288 OE1 GLU A 36 -1.727 4.026 -11.622 1.00 0.00 O ATOM 289 OE2 GLU A 36 -3.604 3.349 -12.526 1.00 0.00 O ATOM 0 H GLU A 36 -1.189 0.885 -8.085 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.522 -0.304 -9.498 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.135 1.383 -10.454 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.344 0.706 -11.527 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.080 2.157 -10.353 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.766 2.922 -9.482 1.00 0.00 H new ATOM 290 N LYS A 37 -1.844 -1.857 -11.095 1.00 0.00 N ATOM 291 CA LYS A 37 -0.970 -2.914 -11.679 1.00 0.00 C ATOM 292 C LYS A 37 -0.234 -2.334 -12.922 1.00 0.00 C ATOM 293 O LYS A 37 -0.818 -1.581 -13.709 1.00 0.00 O ATOM 294 CB LYS A 37 -1.861 -4.139 -12.019 1.00 0.00 C ATOM 295 CG LYS A 37 -1.163 -5.355 -12.672 1.00 0.00 C ATOM 296 CD LYS A 37 -2.080 -6.581 -12.859 1.00 0.00 C ATOM 297 CE LYS A 37 -3.161 -6.425 -13.947 1.00 0.00 C ATOM 298 NZ LYS A 37 -4.052 -7.598 -13.985 1.00 0.00 N ATOM 0 H LYS A 37 -2.626 -1.601 -11.697 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.201 -3.241 -10.979 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.339 -4.476 -11.099 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.655 -3.805 -12.687 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.771 -5.056 -13.644 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.309 -5.643 -12.059 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.462 -7.445 -13.103 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.570 -6.798 -11.910 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.747 -5.526 -13.755 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.686 -6.294 -14.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.769 -7.465 -14.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.494 -8.451 -14.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.522 -7.707 -13.064 1.00 0.00 H new ATOM 299 N THR A 38 1.039 -2.740 -13.120 1.00 0.00 N ATOM 300 CA THR A 38 1.827 -2.334 -14.325 1.00 0.00 C ATOM 301 C THR A 38 1.477 -3.273 -15.525 1.00 0.00 C ATOM 302 O THR A 38 2.033 -4.367 -15.673 1.00 0.00 O ATOM 303 CB THR A 38 3.356 -2.257 -14.044 1.00 0.00 C ATOM 304 OG1 THR A 38 3.869 -3.532 -13.675 1.00 0.00 O ATOM 305 CG2 THR A 38 3.767 -1.236 -12.969 1.00 0.00 C ATOM 0 H THR A 38 1.547 -3.343 -12.473 1.00 0.00 H new ATOM 0 HA THR A 38 1.541 -1.318 -14.595 1.00 0.00 H new ATOM 0 HB THR A 38 3.786 -1.916 -14.986 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.517 -4.215 -14.283 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.850 -1.255 -12.844 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.455 -0.238 -13.277 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.288 -1.490 -12.024 1.00 0.00 H new ATOM 306 N SER A 39 0.525 -2.820 -16.359 1.00 0.00 N ATOM 307 CA SER A 39 0.064 -3.548 -17.571 1.00 0.00 C ATOM 308 C SER A 39 -0.250 -2.458 -18.632 1.00 0.00 C ATOM 309 O SER A 39 0.586 -2.205 -19.503 1.00 0.00 O ATOM 310 CB SER A 39 -1.100 -4.525 -17.256 1.00 0.00 C ATOM 311 OG SER A 39 -0.661 -5.608 -16.446 1.00 0.00 O ATOM 0 H SER A 39 0.045 -1.931 -16.216 1.00 0.00 H new ATOM 0 HA SER A 39 0.828 -4.216 -17.969 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.900 -3.988 -16.747 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.517 -4.910 -18.187 1.00 0.00 H new ATOM 0 HG SER A 39 0.278 -5.473 -16.201 1.00 0.00 H new ATOM 312 N ASP A 40 -1.414 -1.776 -18.529 1.00 0.00 N ATOM 313 CA ASP A 40 -1.658 -0.471 -19.194 1.00 0.00 C ATOM 314 C ASP A 40 -2.454 0.458 -18.217 1.00 0.00 C ATOM 315 O ASP A 40 -3.585 0.863 -18.508 1.00 0.00 O ATOM 316 CB ASP A 40 -2.346 -0.729 -20.570 1.00 0.00 C ATOM 317 CG ASP A 40 -2.437 0.498 -21.487 1.00 0.00 C ATOM 318 OD1 ASP A 40 -1.473 0.764 -22.241 1.00 0.00 O ATOM 319 OD2 ASP A 40 -3.474 1.200 -21.463 1.00 0.00 O ATOM 0 H ASP A 40 -2.209 -2.112 -17.985 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.733 0.060 -19.418 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.799 -1.514 -21.092 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.353 -1.106 -20.391 1.00 0.00 H new ATOM 320 N LYS A 41 -1.853 0.813 -17.051 1.00 0.00 N ATOM 321 CA LYS A 41 -2.453 1.720 -16.028 1.00 0.00 C ATOM 322 C LYS A 41 -3.761 1.126 -15.406 1.00 0.00 C ATOM 323 O LYS A 41 -4.872 1.554 -15.735 1.00 0.00 O ATOM 324 CB LYS A 41 -2.522 3.183 -16.567 1.00 0.00 C ATOM 325 CG LYS A 41 -2.665 4.279 -15.493 1.00 0.00 C ATOM 326 CD LYS A 41 -2.597 5.728 -16.018 1.00 0.00 C ATOM 327 CE LYS A 41 -1.186 6.183 -16.452 1.00 0.00 C ATOM 328 NZ LYS A 41 -1.174 7.594 -16.880 1.00 0.00 N ATOM 0 H LYS A 41 -0.927 0.475 -16.789 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.798 1.788 -15.160 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.620 3.381 -17.146 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.365 3.259 -17.254 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.617 4.140 -14.980 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.879 4.142 -14.750 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.274 5.827 -16.866 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.960 6.401 -15.241 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.490 6.048 -15.624 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.836 5.552 -17.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.210 7.863 -17.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.819 7.718 -17.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.484 8.198 -16.092 1.00 0.00 H new ATOM 329 N LYS A 42 -3.591 0.090 -14.558 1.00 0.00 N ATOM 330 CA LYS A 42 -4.686 -0.833 -14.157 1.00 0.00 C ATOM 331 C LYS A 42 -5.089 -0.608 -12.685 1.00 0.00 C ATOM 332 O LYS A 42 -4.368 -0.993 -11.775 1.00 0.00 O ATOM 333 CB LYS A 42 -4.320 -2.317 -14.489 1.00 0.00 C ATOM 334 CG LYS A 42 -5.070 -2.942 -15.691 1.00 0.00 C ATOM 335 CD LYS A 42 -4.712 -2.313 -17.051 1.00 0.00 C ATOM 336 CE LYS A 42 -5.443 -2.906 -18.266 1.00 0.00 C ATOM 337 NZ LYS A 42 -4.973 -4.258 -18.623 1.00 0.00 N ATOM 0 H LYS A 42 -2.693 -0.134 -14.129 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.573 -0.605 -14.748 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.249 -2.373 -14.684 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.515 -2.926 -13.606 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.851 -4.009 -15.727 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.143 -2.842 -15.528 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.926 -1.245 -17.006 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.638 -2.417 -17.208 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.512 -2.943 -18.056 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.309 -2.244 -19.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.503 -4.603 -19.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.959 -4.224 -18.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.125 -4.902 -17.820 1.00 0.00 H new ATOM 338 N LYS A 43 -6.274 -0.034 -12.446 1.00 0.00 N ATOM 339 CA LYS A 43 -6.771 0.250 -11.067 1.00 0.00 C ATOM 340 C LYS A 43 -7.330 -1.052 -10.416 1.00 0.00 C ATOM 341 O LYS A 43 -8.436 -1.490 -10.754 1.00 0.00 O ATOM 342 CB LYS A 43 -7.836 1.382 -11.067 1.00 0.00 C ATOM 343 CG LYS A 43 -7.407 2.747 -11.680 1.00 0.00 C ATOM 344 CD LYS A 43 -8.286 3.246 -12.849 1.00 0.00 C ATOM 345 CE LYS A 43 -8.219 2.380 -14.124 1.00 0.00 C ATOM 346 NZ LYS A 43 -9.065 2.924 -15.205 1.00 0.00 N ATOM 0 H LYS A 43 -6.919 0.249 -13.184 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.930 0.601 -10.468 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.711 1.025 -11.610 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.148 1.555 -10.037 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.416 3.500 -10.892 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.378 2.663 -12.030 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.322 3.292 -12.512 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.987 4.263 -13.101 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.186 2.319 -14.467 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.538 1.364 -13.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.992 2.313 -16.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.055 2.959 -14.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.745 3.884 -15.447 1.00 0.00 H new ATOM 347 N ILE A 44 -6.547 -1.679 -9.510 1.00 0.00 N ATOM 348 CA ILE A 44 -6.967 -2.912 -8.769 1.00 0.00 C ATOM 349 C ILE A 44 -7.587 -2.523 -7.385 1.00 0.00 C ATOM 350 O ILE A 44 -8.669 -3.035 -7.088 1.00 0.00 O ATOM 351 CB ILE A 44 -5.850 -4.031 -8.753 1.00 0.00 C ATOM 352 CG1 ILE A 44 -5.722 -4.859 -10.068 1.00 0.00 C ATOM 353 CG2 ILE A 44 -6.061 -5.103 -7.651 1.00 0.00 C ATOM 354 CD1 ILE A 44 -5.458 -4.108 -11.370 1.00 0.00 C ATOM 0 H ILE A 44 -5.611 -1.356 -9.266 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.771 -3.407 -9.313 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.958 -3.428 -8.585 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.916 -5.580 -9.930 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.642 -5.429 -10.193 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.258 -5.838 -7.700 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.056 -4.624 -6.672 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.018 -5.601 -7.806 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.395 -4.819 -12.194 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.272 -3.407 -11.557 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.519 -3.561 -11.290 1.00 0.00 H new ATOM 355 N ALA A 45 -6.949 -1.680 -6.539 1.00 0.00 N ATOM 356 CA ALA A 45 -7.616 -1.142 -5.323 1.00 0.00 C ATOM 357 C ALA A 45 -7.030 0.248 -4.972 1.00 0.00 C ATOM 358 O ALA A 45 -5.815 0.463 -4.898 1.00 0.00 O ATOM 359 CB ALA A 45 -7.570 -2.126 -4.146 1.00 0.00 C ATOM 0 H ALA A 45 -5.989 -1.360 -6.670 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.676 -1.012 -5.541 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.070 -1.685 -3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.075 -3.051 -4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.532 -2.342 -3.892 1.00 0.00 H new ATOM 360 N GLN A 46 -7.957 1.198 -4.793 1.00 0.00 N ATOM 361 CA GLN A 46 -7.657 2.647 -4.772 1.00 0.00 C ATOM 362 C GLN A 46 -8.492 3.258 -3.624 1.00 0.00 C ATOM 363 O GLN A 46 -9.728 3.202 -3.648 1.00 0.00 O ATOM 364 CB GLN A 46 -8.057 3.228 -6.162 1.00 0.00 C ATOM 365 CG GLN A 46 -8.062 4.767 -6.311 1.00 0.00 C ATOM 366 CD GLN A 46 -8.616 5.227 -7.670 1.00 0.00 C ATOM 367 OE1 GLN A 46 -7.975 5.087 -8.708 1.00 0.00 O ATOM 368 NE2 GLN A 46 -9.825 5.767 -7.695 1.00 0.00 N ATOM 0 H GLN A 46 -8.946 0.987 -4.657 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.604 2.869 -4.600 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -7.375 2.819 -6.908 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.054 2.862 -6.407 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.661 5.204 -5.512 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -7.046 5.143 -6.190 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.351 5.880 -6.828 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.230 6.070 -8.581 1.00 0.00 H new ATOM 369 N PHE A 47 -7.808 3.909 -2.670 1.00 0.00 N ATOM 370 CA PHE A 47 -8.486 4.709 -1.619 1.00 0.00 C ATOM 371 C PHE A 47 -8.634 6.168 -2.067 1.00 0.00 C ATOM 372 O PHE A 47 -7.654 6.840 -2.407 1.00 0.00 O ATOM 373 CB PHE A 47 -7.770 4.608 -0.240 1.00 0.00 C ATOM 374 CG PHE A 47 -8.418 3.554 0.686 1.00 0.00 C ATOM 375 CD1 PHE A 47 -8.720 2.266 0.228 1.00 0.00 C ATOM 376 CD2 PHE A 47 -8.875 3.958 1.944 1.00 0.00 C ATOM 377 CE1 PHE A 47 -9.498 1.412 0.998 1.00 0.00 C ATOM 378 CE2 PHE A 47 -9.630 3.088 2.723 1.00 0.00 C ATOM 379 CZ PHE A 47 -9.952 1.821 2.250 1.00 0.00 C ATOM 0 H PHE A 47 -6.791 3.902 -2.598 1.00 0.00 H new ATOM 0 HA PHE A 47 -9.481 4.287 -1.480 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.721 4.355 -0.396 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.793 5.581 0.250 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.346 1.935 -0.729 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.641 4.947 2.311 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.751 0.430 0.626 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.968 3.398 3.701 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.553 1.155 2.852 1.00 0.00 H new ATOM 380 N ARG A 48 -9.894 6.635 -1.999 1.00 0.00 N ATOM 381 CA ARG A 48 -10.220 8.051 -2.201 1.00 0.00 C ATOM 382 C ARG A 48 -11.508 8.373 -1.401 1.00 0.00 C ATOM 383 O ARG A 48 -12.581 7.833 -1.697 1.00 0.00 O ATOM 384 CB ARG A 48 -10.378 8.340 -3.725 1.00 0.00 C ATOM 385 CG ARG A 48 -10.623 9.820 -4.109 1.00 0.00 C ATOM 386 CD ARG A 48 -11.013 10.019 -5.583 1.00 0.00 C ATOM 387 NE ARG A 48 -11.173 11.462 -5.891 1.00 0.00 N ATOM 388 CZ ARG A 48 -11.634 11.945 -7.064 1.00 0.00 C ATOM 389 NH1 ARG A 48 -12.023 11.177 -8.083 1.00 0.00 N ATOM 390 NH2 ARG A 48 -11.705 13.254 -7.215 1.00 0.00 N ATOM 0 H ARG A 48 -10.704 6.046 -1.805 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.420 8.696 -1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.479 7.996 -4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -11.208 7.744 -4.104 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.412 10.225 -3.476 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.721 10.395 -3.900 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -10.249 9.586 -6.229 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.943 9.491 -5.793 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.917 12.134 -5.167 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -11.981 10.161 -8.001 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -12.362 11.606 -8.944 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.416 13.871 -6.456 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.049 13.648 -8.090 1.00 0.00 H new ATOM 391 N LYS A 49 -11.415 9.334 -0.452 1.00 0.00 N ATOM 392 CA LYS A 49 -12.578 10.079 0.094 1.00 0.00 C ATOM 393 C LYS A 49 -13.501 9.258 1.040 1.00 0.00 C ATOM 394 O LYS A 49 -13.565 8.026 1.018 1.00 0.00 O ATOM 395 CB LYS A 49 -13.361 10.869 -1.022 1.00 0.00 C ATOM 396 CG LYS A 49 -13.014 12.369 -1.161 1.00 0.00 C ATOM 397 CD LYS A 49 -13.532 13.296 -0.040 1.00 0.00 C ATOM 398 CE LYS A 49 -15.066 13.415 0.045 1.00 0.00 C ATOM 399 NZ LYS A 49 -15.479 14.413 1.049 1.00 0.00 N ATOM 0 H LYS A 49 -10.526 9.617 -0.040 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.143 10.827 0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.176 10.383 -1.980 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -14.429 10.781 -0.820 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.930 12.466 -1.212 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.411 12.726 -2.111 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.157 12.931 0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.112 14.291 -0.188 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.464 13.693 -0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.493 12.445 0.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.517 14.466 1.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.120 14.134 1.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.092 15.344 0.793 1.00 0.00 H new ATOM 400 N GLU A 50 -14.308 10.016 1.797 1.00 0.00 N ATOM 401 CA GLU A 50 -15.550 9.537 2.457 1.00 0.00 C ATOM 402 C GLU A 50 -16.764 9.190 1.503 1.00 0.00 C ATOM 403 O GLU A 50 -17.936 9.302 1.878 1.00 0.00 O ATOM 404 CB GLU A 50 -15.995 10.617 3.491 1.00 0.00 C ATOM 405 CG GLU A 50 -15.015 11.021 4.619 1.00 0.00 C ATOM 406 CD GLU A 50 -14.640 9.877 5.566 1.00 0.00 C ATOM 407 OE1 GLU A 50 -15.416 9.589 6.503 1.00 0.00 O ATOM 408 OE2 GLU A 50 -13.567 9.260 5.378 1.00 0.00 O ATOM 0 H GLU A 50 -14.119 11.002 1.977 1.00 0.00 H new ATOM 0 HA GLU A 50 -15.291 8.584 2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -16.249 11.520 2.936 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -16.912 10.264 3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.105 11.418 4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.461 11.828 5.201 1.00 0.00 H new ATOM 409 N LYS A 51 -16.467 8.775 0.264 1.00 0.00 N ATOM 410 CA LYS A 51 -17.430 8.687 -0.855 1.00 0.00 C ATOM 411 C LYS A 51 -17.118 7.329 -1.540 1.00 0.00 C ATOM 412 O LYS A 51 -17.110 6.260 -0.918 1.00 0.00 O ATOM 413 CB LYS A 51 -17.359 10.052 -1.633 1.00 0.00 C ATOM 414 CG LYS A 51 -18.529 10.380 -2.590 1.00 0.00 C ATOM 415 CD LYS A 51 -19.850 10.741 -1.874 1.00 0.00 C ATOM 416 CE LYS A 51 -20.911 11.315 -2.831 1.00 0.00 C ATOM 417 NZ LYS A 51 -22.143 11.676 -2.108 1.00 0.00 N ATOM 0 H LYS A 51 -15.526 8.482 -0.000 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.497 8.624 -0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -17.286 10.856 -0.900 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.435 10.064 -2.212 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -18.237 11.212 -3.231 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -18.703 9.523 -3.240 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.249 9.851 -1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -19.645 11.468 -1.088 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -20.511 12.195 -3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -21.142 10.582 -3.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -22.839 12.060 -2.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -22.536 10.830 -1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -21.925 12.393 -1.387 1.00 0.00 H new ATOM 418 N GLU A 52 -16.886 7.425 -2.836 1.00 0.00 N ATOM 419 CA GLU A 52 -16.534 6.283 -3.725 1.00 0.00 C ATOM 420 C GLU A 52 -15.096 5.759 -3.408 1.00 0.00 C ATOM 421 O GLU A 52 -14.101 6.409 -3.747 1.00 0.00 O ATOM 422 CB GLU A 52 -16.709 6.740 -5.205 1.00 0.00 C ATOM 423 CG GLU A 52 -16.460 5.679 -6.301 1.00 0.00 C ATOM 424 CD GLU A 52 -17.407 4.473 -6.263 1.00 0.00 C ATOM 425 OE1 GLU A 52 -18.542 4.578 -6.776 1.00 0.00 O ATOM 426 OE2 GLU A 52 -17.017 3.417 -5.716 1.00 0.00 O ATOM 0 H GLU A 52 -16.933 8.314 -3.333 1.00 0.00 H new ATOM 0 HA GLU A 52 -17.200 5.438 -3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -17.724 7.119 -5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -16.033 7.576 -5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -16.546 6.159 -7.276 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -15.435 5.320 -6.212 1.00 0.00 H new ATOM 427 N THR A 53 -15.023 4.595 -2.732 1.00 0.00 N ATOM 428 CA THR A 53 -13.754 4.039 -2.182 1.00 0.00 C ATOM 429 C THR A 53 -13.677 2.553 -2.637 1.00 0.00 C ATOM 430 O THR A 53 -14.528 1.733 -2.272 1.00 0.00 O ATOM 431 CB THR A 53 -13.715 4.194 -0.628 1.00 0.00 C ATOM 432 OG1 THR A 53 -14.011 5.536 -0.249 1.00 0.00 O ATOM 433 CG2 THR A 53 -12.350 3.852 -0.010 1.00 0.00 C ATOM 0 H THR A 53 -15.837 4.009 -2.548 1.00 0.00 H new ATOM 0 HA THR A 53 -12.884 4.580 -2.555 1.00 0.00 H new ATOM 0 HB THR A 53 -14.460 3.490 -0.257 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.493 6.155 -0.805 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.397 3.982 1.071 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.095 2.817 -0.240 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.588 4.514 -0.422 1.00 0.00 H new ATOM 434 N PHE A 54 -12.660 2.225 -3.453 1.00 0.00 N ATOM 435 CA PHE A 54 -12.610 0.948 -4.216 1.00 0.00 C ATOM 436 C PHE A 54 -11.783 -0.137 -3.462 1.00 0.00 C ATOM 437 O PHE A 54 -10.548 -0.124 -3.479 1.00 0.00 O ATOM 438 CB PHE A 54 -12.071 1.287 -5.639 1.00 0.00 C ATOM 439 CG PHE A 54 -12.120 0.158 -6.687 1.00 0.00 C ATOM 440 CD1 PHE A 54 -13.343 -0.407 -7.072 1.00 0.00 C ATOM 441 CD2 PHE A 54 -10.944 -0.283 -7.303 1.00 0.00 C ATOM 442 CE1 PHE A 54 -13.381 -1.417 -8.030 1.00 0.00 C ATOM 443 CE2 PHE A 54 -10.989 -1.282 -8.271 1.00 0.00 C ATOM 444 CZ PHE A 54 -12.205 -1.856 -8.626 1.00 0.00 C ATOM 0 H PHE A 54 -11.851 2.827 -3.607 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.600 0.502 -4.314 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.639 2.134 -6.025 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -11.036 1.615 -5.541 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.261 -0.057 -6.623 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -9.996 0.154 -7.026 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -14.326 -1.860 -8.310 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -10.078 -1.612 -8.747 1.00 0.00 H new ATOM 0 HZ PHE A 54 -12.235 -2.643 -9.365 1.00 0.00 H new ATOM 445 N LYS A 55 -12.502 -1.082 -2.821 1.00 0.00 N ATOM 446 CA LYS A 55 -11.910 -2.273 -2.140 1.00 0.00 C ATOM 447 C LYS A 55 -12.992 -3.384 -1.940 1.00 0.00 C ATOM 448 O LYS A 55 -14.184 -3.094 -1.801 1.00 0.00 O ATOM 449 CB LYS A 55 -11.159 -1.934 -0.813 1.00 0.00 C ATOM 450 CG LYS A 55 -11.966 -1.614 0.470 1.00 0.00 C ATOM 451 CD LYS A 55 -12.836 -0.337 0.421 1.00 0.00 C ATOM 452 CE LYS A 55 -13.489 0.041 1.762 1.00 0.00 C ATOM 453 NZ LYS A 55 -14.566 -0.884 2.165 1.00 0.00 N ATOM 0 H LYS A 55 -13.519 -1.048 -2.756 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.137 -2.659 -2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.507 -2.777 -0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.515 -1.078 -1.014 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.613 -2.463 0.690 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.267 -1.522 1.302 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.218 0.496 0.084 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.619 -0.474 -0.324 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.725 0.059 2.539 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.894 1.050 1.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.966 -0.576 3.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.313 -0.884 1.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.180 -1.845 2.264 1.00 0.00 H new ATOM 454 N GLU A 56 -12.548 -4.658 -1.887 1.00 0.00 N ATOM 455 CA GLU A 56 -13.457 -5.830 -1.736 1.00 0.00 C ATOM 456 C GLU A 56 -12.948 -6.769 -0.594 1.00 0.00 C ATOM 457 O GLU A 56 -13.476 -6.716 0.519 1.00 0.00 O ATOM 458 CB GLU A 56 -13.671 -6.490 -3.134 1.00 0.00 C ATOM 459 CG GLU A 56 -14.727 -7.618 -3.173 1.00 0.00 C ATOM 460 CD GLU A 56 -14.758 -8.343 -4.519 1.00 0.00 C ATOM 461 OE1 GLU A 56 -13.990 -9.316 -4.698 1.00 0.00 O ATOM 462 OE2 GLU A 56 -15.546 -7.947 -5.407 1.00 0.00 O ATOM 0 H GLU A 56 -11.561 -4.909 -1.946 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.452 -5.534 -1.404 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.963 -5.715 -3.843 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.718 -6.893 -3.477 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.516 -8.337 -2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.711 -7.197 -2.967 1.00 0.00 H new ATOM 463 N LYS A 57 -11.966 -7.645 -0.885 1.00 0.00 N ATOM 464 CA LYS A 57 -11.588 -8.801 -0.020 1.00 0.00 C ATOM 465 C LYS A 57 -10.368 -8.512 0.905 1.00 0.00 C ATOM 466 O LYS A 57 -9.591 -7.594 0.635 1.00 0.00 O ATOM 467 CB LYS A 57 -11.354 -10.035 -0.945 1.00 0.00 C ATOM 468 CG LYS A 57 -10.229 -9.921 -2.005 1.00 0.00 C ATOM 469 CD LYS A 57 -10.140 -11.153 -2.924 1.00 0.00 C ATOM 470 CE LYS A 57 -9.069 -10.980 -4.016 1.00 0.00 C ATOM 471 NZ LYS A 57 -9.043 -12.133 -4.929 1.00 0.00 N ATOM 0 H LYS A 57 -11.403 -7.577 -1.733 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.403 -9.004 0.674 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.136 -10.895 -0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.288 -10.250 -1.465 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.399 -9.033 -2.613 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.274 -9.782 -1.499 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.910 -12.035 -2.327 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.109 -11.328 -3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.268 -10.070 -4.582 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.090 -10.859 -3.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.311 -11.986 -5.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.829 -12.997 -4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.970 -12.232 -5.389 1.00 0.00 H new ATOM 472 N ASP A 58 -10.170 -9.324 1.970 1.00 0.00 N ATOM 473 CA ASP A 58 -8.955 -9.218 2.855 1.00 0.00 C ATOM 474 C ASP A 58 -7.601 -9.547 2.187 1.00 0.00 C ATOM 475 O ASP A 58 -6.619 -8.826 2.396 1.00 0.00 O ATOM 476 CB ASP A 58 -8.981 -9.998 4.197 1.00 0.00 C ATOM 477 CG ASP A 58 -10.300 -10.040 4.977 1.00 0.00 C ATOM 478 OD1 ASP A 58 -11.139 -10.923 4.692 1.00 0.00 O ATOM 479 OD2 ASP A 58 -10.503 -9.193 5.877 1.00 0.00 O ATOM 0 H ASP A 58 -10.822 -10.058 2.247 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.027 -8.151 3.066 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.681 -11.026 3.992 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.221 -9.568 4.849 1.00 0.00 H new ATOM 480 N THR A 59 -7.578 -10.632 1.399 1.00 0.00 N ATOM 481 CA THR A 59 -6.386 -11.050 0.603 1.00 0.00 C ATOM 482 C THR A 59 -5.745 -9.974 -0.331 1.00 0.00 C ATOM 483 O THR A 59 -4.564 -10.102 -0.662 1.00 0.00 O ATOM 484 CB THR A 59 -6.587 -12.397 -0.152 1.00 0.00 C ATOM 485 OG1 THR A 59 -7.515 -12.246 -1.218 1.00 0.00 O ATOM 486 CG2 THR A 59 -7.032 -13.599 0.701 1.00 0.00 C ATOM 0 H THR A 59 -8.379 -11.253 1.287 1.00 0.00 H new ATOM 0 HA THR A 59 -5.646 -11.198 1.389 1.00 0.00 H new ATOM 0 HB THR A 59 -5.584 -12.632 -0.508 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.625 -13.103 -1.680 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.138 -14.477 0.064 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.285 -13.796 1.470 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.989 -13.376 1.173 1.00 0.00 H new ATOM 487 N TYR A 60 -6.486 -8.907 -0.691 1.00 0.00 N ATOM 488 CA TYR A 60 -5.876 -7.631 -1.104 1.00 0.00 C ATOM 489 C TYR A 60 -6.812 -6.494 -0.610 1.00 0.00 C ATOM 490 O TYR A 60 -7.880 -6.257 -1.184 1.00 0.00 O ATOM 491 CB TYR A 60 -5.631 -7.641 -2.631 1.00 0.00 C ATOM 492 CG TYR A 60 -4.789 -6.462 -3.111 1.00 0.00 C ATOM 493 CD1 TYR A 60 -3.445 -6.351 -2.756 1.00 0.00 C ATOM 494 CD2 TYR A 60 -5.373 -5.472 -3.901 1.00 0.00 C ATOM 495 CE1 TYR A 60 -2.682 -5.290 -3.207 1.00 0.00 C ATOM 496 CE2 TYR A 60 -4.603 -4.415 -4.363 1.00 0.00 C ATOM 497 CZ TYR A 60 -3.263 -4.317 -4.027 1.00 0.00 C ATOM 498 OH TYR A 60 -2.538 -3.272 -4.525 1.00 0.00 O ATOM 0 H TYR A 60 -7.506 -8.905 -0.704 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.894 -7.470 -0.659 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.134 -8.571 -2.907 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.591 -7.628 -3.147 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.996 -7.101 -2.122 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.422 -5.528 -4.152 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.642 -5.213 -2.927 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.053 -3.661 -4.991 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.977 -3.586 -5.264 1.00 0.00 H new ATOM 499 N LYS A 61 -6.380 -5.814 0.467 1.00 0.00 N ATOM 500 CA LYS A 61 -7.163 -4.739 1.130 1.00 0.00 C ATOM 501 C LYS A 61 -6.230 -3.535 1.415 1.00 0.00 C ATOM 502 O LYS A 61 -5.054 -3.687 1.756 1.00 0.00 O ATOM 503 CB LYS A 61 -7.844 -5.260 2.431 1.00 0.00 C ATOM 504 CG LYS A 61 -8.861 -4.270 3.056 1.00 0.00 C ATOM 505 CD LYS A 61 -9.685 -4.808 4.239 1.00 0.00 C ATOM 506 CE LYS A 61 -10.870 -5.699 3.820 1.00 0.00 C ATOM 507 NZ LYS A 61 -11.624 -6.157 4.998 1.00 0.00 N ATOM 0 H LYS A 61 -5.477 -5.990 0.908 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.964 -4.414 0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.355 -6.197 2.210 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.072 -5.484 3.167 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.319 -3.385 3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.550 -3.947 2.276 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.029 -5.378 4.897 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.063 -3.966 4.818 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.530 -5.144 3.154 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.503 -6.560 3.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.636 -6.212 4.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.283 -7.097 5.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.487 -5.486 5.780 1.00 0.00 H new ATOM 508 N LEU A 62 -6.802 -2.331 1.279 1.00 0.00 N ATOM 509 CA LEU A 62 -6.074 -1.049 1.418 1.00 0.00 C ATOM 510 C LEU A 62 -6.556 -0.345 2.724 1.00 0.00 C ATOM 511 O LEU A 62 -7.763 -0.191 2.937 1.00 0.00 O ATOM 512 CB LEU A 62 -6.334 -0.226 0.117 1.00 0.00 C ATOM 513 CG LEU A 62 -5.511 -0.535 -1.168 1.00 0.00 C ATOM 514 CD1 LEU A 62 -4.109 0.051 -1.113 1.00 0.00 C ATOM 515 CD2 LEU A 62 -5.359 -2.007 -1.559 1.00 0.00 C ATOM 0 H LEU A 62 -7.793 -2.212 1.067 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.996 -1.175 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.388 -0.341 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.177 0.825 0.360 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.130 -0.060 -1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.577 -0.193 -2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.171 1.134 -1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.573 -0.368 -0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.765 -2.082 -2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.860 -2.547 -0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.344 -2.441 -1.731 1.00 0.00 H new ATOM 516 N PHE A 63 -5.627 0.070 3.614 1.00 0.00 N ATOM 517 CA PHE A 63 -5.978 0.745 4.895 1.00 0.00 C ATOM 518 C PHE A 63 -6.362 2.251 4.724 1.00 0.00 C ATOM 519 O PHE A 63 -5.941 2.924 3.776 1.00 0.00 O ATOM 520 CB PHE A 63 -4.759 0.555 5.840 1.00 0.00 C ATOM 521 CG PHE A 63 -5.008 0.852 7.329 1.00 0.00 C ATOM 522 CD1 PHE A 63 -5.814 0.003 8.093 1.00 0.00 C ATOM 523 CD2 PHE A 63 -4.445 1.984 7.925 1.00 0.00 C ATOM 524 CE1 PHE A 63 -6.057 0.284 9.436 1.00 0.00 C ATOM 525 CE2 PHE A 63 -4.684 2.260 9.272 1.00 0.00 C ATOM 526 CZ PHE A 63 -5.494 1.413 10.023 1.00 0.00 C ATOM 0 H PHE A 63 -4.624 -0.049 3.473 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.878 0.294 5.314 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.410 -0.474 5.748 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.951 1.198 5.492 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.250 -0.875 7.640 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.823 2.647 7.342 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.682 -0.374 10.021 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.240 3.131 9.732 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.686 1.632 11.063 1.00 0.00 H new ATOM 527 N LYS A 64 -7.155 2.768 5.690 1.00 0.00 N ATOM 528 CA LYS A 64 -7.674 4.165 5.673 1.00 0.00 C ATOM 529 C LYS A 64 -6.630 5.287 5.918 1.00 0.00 C ATOM 530 O LYS A 64 -6.582 6.217 5.105 1.00 0.00 O ATOM 531 CB LYS A 64 -8.930 4.259 6.588 1.00 0.00 C ATOM 532 CG LYS A 64 -9.711 5.601 6.611 1.00 0.00 C ATOM 533 CD LYS A 64 -10.443 6.021 5.311 1.00 0.00 C ATOM 534 CE LYS A 64 -11.750 5.255 5.030 1.00 0.00 C ATOM 535 NZ LYS A 64 -12.383 5.703 3.775 1.00 0.00 N ATOM 0 H LYS A 64 -7.456 2.233 6.505 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.965 4.374 4.644 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.623 3.473 6.287 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.618 4.035 7.608 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.449 5.548 7.411 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.011 6.394 6.875 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.667 7.086 5.365 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.767 5.880 4.468 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.541 4.187 4.972 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.443 5.399 5.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.260 5.166 3.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.605 6.717 3.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.731 5.542 2.981 1.00 0.00 H new ATOM 536 N ASN A 65 -5.797 5.221 6.983 1.00 0.00 N ATOM 537 CA ASN A 65 -4.702 6.179 7.240 1.00 0.00 C ATOM 538 C ASN A 65 -3.743 6.422 6.027 1.00 0.00 C ATOM 539 O ASN A 65 -3.436 7.570 5.699 1.00 0.00 O ATOM 540 CB ASN A 65 -3.942 5.780 8.534 1.00 0.00 C ATOM 541 CG ASN A 65 -2.987 6.848 9.100 1.00 0.00 C ATOM 542 OD1 ASN A 65 -3.414 7.851 9.672 1.00 0.00 O ATOM 543 ND2 ASN A 65 -1.684 6.659 8.956 1.00 0.00 N ATOM 0 H ASN A 65 -5.869 4.493 7.694 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.170 7.152 7.390 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.674 5.529 9.302 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.369 4.875 8.333 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.025 7.347 9.320 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.339 5.825 8.481 1.00 0.00 H new ATOM 544 N GLY A 66 -3.340 5.319 5.370 1.00 0.00 N ATOM 545 CA GLY A 66 -2.697 5.376 4.043 1.00 0.00 C ATOM 546 C GLY A 66 -1.716 4.223 3.815 1.00 0.00 C ATOM 547 O GLY A 66 -0.500 4.433 3.879 1.00 0.00 O ATOM 0 H GLY A 66 -3.449 4.374 5.738 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.465 5.353 3.270 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.169 6.324 3.940 1.00 0.00 H new ATOM 548 N THR A 67 -2.242 3.006 3.581 1.00 0.00 N ATOM 549 CA THR A 67 -1.441 1.750 3.664 1.00 0.00 C ATOM 550 C THR A 67 -2.160 0.615 2.853 1.00 0.00 C ATOM 551 O THR A 67 -3.171 0.805 2.170 1.00 0.00 O ATOM 552 CB THR A 67 -1.138 1.496 5.202 1.00 0.00 C ATOM 553 OG1 THR A 67 0.070 2.161 5.546 1.00 0.00 O ATOM 554 CG2 THR A 67 -1.016 0.066 5.745 1.00 0.00 C ATOM 0 H THR A 67 -3.220 2.856 3.332 1.00 0.00 H new ATOM 0 HA THR A 67 -0.464 1.800 3.183 1.00 0.00 H new ATOM 0 HB THR A 67 -2.051 1.872 5.663 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.156 2.980 5.014 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.808 0.099 6.814 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.950 -0.469 5.574 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.203 -0.450 5.233 1.00 0.00 H new ATOM 555 N LEU A 68 -1.540 -0.573 2.895 1.00 0.00 N ATOM 556 CA LEU A 68 -1.993 -1.810 2.234 1.00 0.00 C ATOM 557 C LEU A 68 -1.669 -3.029 3.150 1.00 0.00 C ATOM 558 O LEU A 68 -0.632 -3.060 3.819 1.00 0.00 O ATOM 559 CB LEU A 68 -1.198 -1.893 0.909 1.00 0.00 C ATOM 560 CG LEU A 68 -1.868 -2.679 -0.228 1.00 0.00 C ATOM 561 CD1 LEU A 68 -1.515 -2.091 -1.604 1.00 0.00 C ATOM 562 CD2 LEU A 68 -1.560 -4.171 -0.207 1.00 0.00 C ATOM 0 H LEU A 68 -0.671 -0.706 3.413 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.067 -1.814 2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.006 -0.879 0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.229 -2.347 1.117 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.939 -2.574 -0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.006 -2.672 -2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.853 -1.056 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.435 -2.128 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.067 -4.659 -1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.484 -4.322 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.907 -4.601 0.732 1.00 0.00 H new ATOM 563 N LYS A 69 -2.535 -4.057 3.109 1.00 0.00 N ATOM 564 CA LYS A 69 -2.231 -5.404 3.672 1.00 0.00 C ATOM 565 C LYS A 69 -2.675 -6.458 2.612 1.00 0.00 C ATOM 566 O LYS A 69 -3.869 -6.579 2.314 1.00 0.00 O ATOM 567 CB LYS A 69 -2.936 -5.630 5.039 1.00 0.00 C ATOM 568 CG LYS A 69 -2.484 -4.682 6.180 1.00 0.00 C ATOM 569 CD LYS A 69 -3.217 -4.897 7.523 1.00 0.00 C ATOM 570 CE LYS A 69 -2.719 -6.078 8.376 1.00 0.00 C ATOM 571 NZ LYS A 69 -1.410 -5.826 9.007 1.00 0.00 N ATOM 0 H LYS A 69 -3.462 -3.988 2.690 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.164 -5.497 3.874 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.011 -5.516 4.898 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.763 -6.659 5.353 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.414 -4.812 6.340 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.635 -3.651 5.860 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.130 -3.985 8.113 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.277 -5.043 7.317 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.454 -6.293 9.152 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.648 -6.967 7.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.739 -6.567 8.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.051 -4.898 8.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.516 -5.835 10.042 1.00 0.00 H new ATOM 572 N ILE A 70 -1.706 -7.215 2.043 1.00 0.00 N ATOM 573 CA ILE A 70 -1.983 -8.339 1.096 1.00 0.00 C ATOM 574 C ILE A 70 -2.035 -9.610 2.015 1.00 0.00 C ATOM 575 O ILE A 70 -0.966 -10.096 2.401 1.00 0.00 O ATOM 576 CB ILE A 70 -0.917 -8.505 -0.073 1.00 0.00 C ATOM 577 CG1 ILE A 70 -0.246 -7.256 -0.720 1.00 0.00 C ATOM 578 CG2 ILE A 70 -1.486 -9.416 -1.184 1.00 0.00 C ATOM 579 CD1 ILE A 70 1.045 -7.513 -1.546 1.00 0.00 C ATOM 0 H ILE A 70 -0.712 -7.070 2.222 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.909 -8.156 0.551 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.082 -8.940 0.476 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.977 -6.774 -1.370 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.008 -6.547 0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.749 -9.523 -1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.716 -10.397 -0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.395 -8.971 -1.589 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.416 -6.569 -1.944 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.804 -7.960 -0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.821 -8.191 -2.370 1.00 0.00 H new ATOM 580 N LYS A 71 -3.230 -10.121 2.416 1.00 0.00 N ATOM 581 CA LYS A 71 -3.328 -11.174 3.477 1.00 0.00 C ATOM 582 C LYS A 71 -3.258 -12.609 2.876 1.00 0.00 C ATOM 583 O LYS A 71 -3.939 -12.899 1.890 1.00 0.00 O ATOM 584 CB LYS A 71 -4.655 -11.028 4.280 1.00 0.00 C ATOM 585 CG LYS A 71 -4.927 -9.694 5.021 1.00 0.00 C ATOM 586 CD LYS A 71 -4.041 -9.387 6.243 1.00 0.00 C ATOM 587 CE LYS A 71 -4.317 -10.282 7.465 1.00 0.00 C ATOM 588 NZ LYS A 71 -3.483 -9.896 8.614 1.00 0.00 N ATOM 0 H LYS A 71 -4.129 -9.830 2.031 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.476 -11.031 4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.481 -11.198 3.589 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.686 -11.830 5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.815 -8.879 4.306 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.967 -9.692 5.346 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.995 -9.496 5.956 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.186 -8.345 6.530 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.370 -10.212 7.738 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.123 -11.323 7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.693 -10.518 9.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.479 -9.986 8.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.687 -8.910 8.875 1.00 0.00 H new ATOM 589 N HIS A 72 -2.472 -13.518 3.495 1.00 0.00 N ATOM 590 CA HIS A 72 -2.431 -14.977 3.146 1.00 0.00 C ATOM 591 C HIS A 72 -2.155 -15.265 1.633 1.00 0.00 C ATOM 592 O HIS A 72 -3.097 -15.401 0.845 1.00 0.00 O ATOM 593 CB HIS A 72 -3.680 -15.720 3.718 1.00 0.00 C ATOM 594 CG HIS A 72 -3.669 -17.246 3.566 1.00 0.00 C ATOM 595 ND1 HIS A 72 -2.978 -18.122 4.393 1.00 0.00 N ATOM 596 CD2 HIS A 72 -4.305 -17.963 2.528 1.00 0.00 C ATOM 597 CE1 HIS A 72 -3.256 -19.309 3.767 1.00 0.00 C ATOM 598 NE2 HIS A 72 -4.043 -19.316 2.647 1.00 0.00 N ATOM 0 H HIS A 72 -1.840 -13.270 4.257 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.556 -15.397 3.641 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.771 -15.479 4.777 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -4.570 -15.330 3.225 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -4.910 -17.518 1.752 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.856 -20.234 4.155 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -4.349 -20.096 2.066 1.00 0.00 H new ATOM 599 N LEU A 73 -0.875 -15.328 1.238 1.00 0.00 N ATOM 600 CA LEU A 73 -0.473 -15.278 -0.173 1.00 0.00 C ATOM 601 C LEU A 73 0.261 -16.568 -0.615 1.00 0.00 C ATOM 602 O LEU A 73 0.236 -17.644 -0.015 1.00 0.00 O ATOM 603 CB LEU A 73 0.038 -13.831 -0.501 1.00 0.00 C ATOM 604 CG LEU A 73 1.318 -13.280 0.177 1.00 0.00 C ATOM 605 CD1 LEU A 73 2.621 -13.830 -0.415 1.00 0.00 C ATOM 606 CD2 LEU A 73 1.286 -11.745 0.115 1.00 0.00 C ATOM 0 H LEU A 73 -0.092 -15.415 1.886 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.286 -15.363 -0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.197 -13.782 -1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.773 -13.142 -0.267 1.00 0.00 H new ATOM 0 HG LEU A 73 1.314 -13.621 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.471 -13.397 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.641 -14.914 -0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.679 -13.570 -1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.181 -11.343 0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.251 -11.424 -0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.403 -11.378 0.638 1.00 0.00 H new ATOM 607 N LYS A 74 0.757 -16.369 -1.808 1.00 0.00 N ATOM 608 CA LYS A 74 1.242 -17.329 -2.809 1.00 0.00 C ATOM 609 C LYS A 74 1.779 -16.435 -3.987 1.00 0.00 C ATOM 610 O LYS A 74 1.686 -15.194 -3.988 1.00 0.00 O ATOM 611 CB LYS A 74 0.256 -18.422 -3.339 1.00 0.00 C ATOM 612 CG LYS A 74 -0.430 -19.368 -2.324 1.00 0.00 C ATOM 613 CD LYS A 74 -1.199 -20.545 -2.955 1.00 0.00 C ATOM 614 CE LYS A 74 -1.918 -21.410 -1.896 1.00 0.00 C ATOM 615 NZ LYS A 74 -2.665 -22.518 -2.520 1.00 0.00 N ATOM 0 H LYS A 74 0.849 -15.416 -2.160 1.00 0.00 H new ATOM 0 HA LYS A 74 1.986 -17.958 -2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.529 -17.914 -3.898 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.803 -19.042 -4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.329 -19.767 -1.651 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.121 -18.785 -1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.931 -20.159 -3.664 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.506 -21.168 -3.520 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.186 -21.812 -1.195 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.602 -20.787 -1.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.136 -23.079 -1.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.379 -22.132 -3.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.007 -23.125 -3.049 1.00 0.00 H new ATOM 616 N THR A 75 2.351 -17.058 -5.039 1.00 0.00 N ATOM 617 CA THR A 75 2.978 -16.323 -6.165 1.00 0.00 C ATOM 618 C THR A 75 2.004 -15.437 -7.003 1.00 0.00 C ATOM 619 O THR A 75 2.272 -14.255 -7.231 1.00 0.00 O ATOM 620 CB THR A 75 3.859 -17.262 -7.053 1.00 0.00 C ATOM 621 OG1 THR A 75 4.671 -18.124 -6.262 1.00 0.00 O ATOM 622 CG2 THR A 75 4.807 -16.515 -8.005 1.00 0.00 C ATOM 0 H THR A 75 2.393 -18.073 -5.135 1.00 0.00 H new ATOM 0 HA THR A 75 3.641 -15.599 -5.691 1.00 0.00 H new ATOM 0 HB THR A 75 3.132 -17.823 -7.640 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.207 -18.698 -6.848 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.383 -17.236 -8.585 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.225 -15.888 -8.680 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.487 -15.890 -7.425 1.00 0.00 H new ATOM 623 N ASP A 76 0.876 -16.041 -7.407 1.00 0.00 N ATOM 624 CA ASP A 76 -0.266 -15.318 -8.033 1.00 0.00 C ATOM 625 C ASP A 76 -1.178 -14.490 -7.064 1.00 0.00 C ATOM 626 O ASP A 76 -1.809 -13.538 -7.533 1.00 0.00 O ATOM 627 CB ASP A 76 -1.088 -16.352 -8.854 1.00 0.00 C ATOM 628 CG ASP A 76 -2.103 -15.755 -9.841 1.00 0.00 C ATOM 629 OD1 ASP A 76 -1.699 -15.319 -10.942 1.00 0.00 O ATOM 630 OD2 ASP A 76 -3.311 -15.718 -9.514 1.00 0.00 O ATOM 0 H ASP A 76 0.720 -17.045 -7.313 1.00 0.00 H new ATOM 0 HA ASP A 76 0.162 -14.543 -8.669 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.394 -16.983 -9.410 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.621 -17.001 -8.159 1.00 0.00 H new ATOM 631 N ASP A 77 -1.231 -14.798 -5.748 1.00 0.00 N ATOM 632 CA ASP A 77 -1.847 -13.892 -4.732 1.00 0.00 C ATOM 633 C ASP A 77 -1.115 -12.529 -4.520 1.00 0.00 C ATOM 634 O ASP A 77 -1.777 -11.621 -4.007 1.00 0.00 O ATOM 635 CB ASP A 77 -2.042 -14.625 -3.372 1.00 0.00 C ATOM 636 CG ASP A 77 -3.159 -15.680 -3.351 1.00 0.00 C ATOM 637 OD1 ASP A 77 -4.332 -15.315 -3.130 1.00 0.00 O ATOM 638 OD2 ASP A 77 -2.861 -16.881 -3.547 1.00 0.00 O ATOM 0 H ASP A 77 -0.857 -15.663 -5.358 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.817 -13.630 -5.154 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.103 -15.108 -3.100 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.252 -13.881 -2.604 1.00 0.00 H new ATOM 639 N GLN A 78 0.167 -12.334 -4.942 1.00 0.00 N ATOM 640 CA GLN A 78 0.739 -10.956 -5.060 1.00 0.00 C ATOM 641 C GLN A 78 1.274 -10.631 -6.487 1.00 0.00 C ATOM 642 O GLN A 78 1.289 -11.462 -7.400 1.00 0.00 O ATOM 643 CB GLN A 78 1.673 -10.603 -3.869 1.00 0.00 C ATOM 644 CG GLN A 78 2.896 -11.517 -3.642 1.00 0.00 C ATOM 645 CD GLN A 78 3.873 -11.016 -2.560 1.00 0.00 C ATOM 646 OE1 GLN A 78 3.766 -9.915 -2.018 1.00 0.00 O ATOM 647 NE2 GLN A 78 4.871 -11.818 -2.237 1.00 0.00 N ATOM 0 H GLN A 78 0.808 -13.085 -5.199 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.083 -10.247 -4.957 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.033 -9.584 -4.012 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.075 -10.605 -2.958 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.545 -12.511 -3.365 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.437 -11.620 -4.583 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.959 -12.729 -2.686 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.554 -11.526 -1.538 1.00 0.00 H new ATOM 648 N ASP A 79 1.602 -9.336 -6.683 1.00 0.00 N ATOM 649 CA ASP A 79 1.555 -8.666 -8.012 1.00 0.00 C ATOM 650 C ASP A 79 2.638 -7.546 -8.126 1.00 0.00 C ATOM 651 O ASP A 79 3.152 -7.029 -7.126 1.00 0.00 O ATOM 652 CB ASP A 79 0.143 -8.022 -8.082 1.00 0.00 C ATOM 653 CG ASP A 79 -0.326 -7.444 -9.420 1.00 0.00 C ATOM 654 OD1 ASP A 79 -0.415 -8.196 -10.415 1.00 0.00 O ATOM 655 OD2 ASP A 79 -0.606 -6.226 -9.479 1.00 0.00 O ATOM 0 H ASP A 79 1.907 -8.721 -5.929 1.00 0.00 H new ATOM 0 HA ASP A 79 1.746 -9.375 -8.818 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.582 -8.775 -7.773 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.106 -7.222 -7.343 1.00 0.00 H new ATOM 656 N ILE A 80 2.898 -7.116 -9.379 1.00 0.00 N ATOM 657 CA ILE A 80 3.710 -5.899 -9.670 1.00 0.00 C ATOM 658 C ILE A 80 2.762 -4.675 -9.536 1.00 0.00 C ATOM 659 O ILE A 80 1.860 -4.490 -10.362 1.00 0.00 O ATOM 660 CB ILE A 80 4.433 -5.934 -11.066 1.00 0.00 C ATOM 661 CG1 ILE A 80 5.255 -7.233 -11.320 1.00 0.00 C ATOM 662 CG2 ILE A 80 5.352 -4.694 -11.231 1.00 0.00 C ATOM 663 CD1 ILE A 80 5.768 -7.442 -12.754 1.00 0.00 C ATOM 0 H ILE A 80 2.558 -7.592 -10.215 1.00 0.00 H new ATOM 0 HA ILE A 80 4.530 -5.839 -8.954 1.00 0.00 H new ATOM 0 HB ILE A 80 3.638 -5.919 -11.811 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.112 -7.234 -10.646 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.636 -8.088 -11.049 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.845 -4.733 -12.202 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.753 -3.786 -11.165 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.104 -4.691 -10.442 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.325 -8.377 -12.808 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.922 -7.483 -13.441 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.421 -6.614 -13.031 1.00 0.00 H new ATOM 664 N TYR A 81 2.997 -3.848 -8.502 1.00 0.00 N ATOM 665 CA TYR A 81 2.201 -2.618 -8.255 1.00 0.00 C ATOM 666 C TYR A 81 2.841 -1.333 -8.866 1.00 0.00 C ATOM 667 O TYR A 81 4.004 -1.301 -9.281 1.00 0.00 O ATOM 668 CB TYR A 81 1.937 -2.438 -6.729 1.00 0.00 C ATOM 669 CG TYR A 81 1.118 -3.521 -6.003 1.00 0.00 C ATOM 670 CD1 TYR A 81 -0.152 -3.912 -6.446 1.00 0.00 C ATOM 671 CD2 TYR A 81 1.718 -4.225 -4.956 1.00 0.00 C ATOM 672 CE1 TYR A 81 -0.691 -5.121 -6.015 1.00 0.00 C ATOM 673 CE2 TYR A 81 1.181 -5.430 -4.524 1.00 0.00 C ATOM 674 CZ TYR A 81 -0.008 -5.898 -5.076 1.00 0.00 C ATOM 675 OH TYR A 81 -0.526 -7.104 -4.677 1.00 0.00 O ATOM 0 H TYR A 81 3.735 -4.005 -7.816 1.00 0.00 H new ATOM 0 HA TYR A 81 1.250 -2.754 -8.770 1.00 0.00 H new ATOM 0 HB2 TYR A 81 2.903 -2.360 -6.230 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.428 -1.485 -6.589 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.711 -3.278 -7.119 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.604 -3.830 -4.481 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.639 -5.459 -6.407 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.685 -6.004 -3.760 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.324 -6.952 -4.129 1.00 0.00 H new ATOM 676 N LYS A 82 2.061 -0.241 -8.873 1.00 0.00 N ATOM 677 CA LYS A 82 2.601 1.135 -9.034 1.00 0.00 C ATOM 678 C LYS A 82 1.671 2.080 -8.231 1.00 0.00 C ATOM 679 O LYS A 82 0.460 2.145 -8.466 1.00 0.00 O ATOM 680 CB LYS A 82 2.699 1.489 -10.549 1.00 0.00 C ATOM 681 CG LYS A 82 3.195 2.909 -10.921 1.00 0.00 C ATOM 682 CD LYS A 82 2.088 3.981 -11.027 1.00 0.00 C ATOM 683 CE LYS A 82 2.637 5.382 -11.351 1.00 0.00 C ATOM 684 NZ LYS A 82 1.546 6.352 -11.543 1.00 0.00 N ATOM 0 H LYS A 82 1.047 -0.276 -8.769 1.00 0.00 H new ATOM 0 HA LYS A 82 3.614 1.235 -8.645 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.364 0.766 -11.021 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.712 1.351 -10.991 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.921 3.231 -10.174 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.720 2.856 -11.874 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.378 3.687 -11.800 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.537 4.021 -10.087 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.286 5.717 -10.542 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.249 5.336 -12.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.876 7.131 -12.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.738 5.880 -11.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.252 6.731 -10.620 1.00 0.00 H new ATOM 685 N VAL A 83 2.272 2.847 -7.310 1.00 0.00 N ATOM 686 CA VAL A 83 1.547 3.818 -6.446 1.00 0.00 C ATOM 687 C VAL A 83 1.538 5.254 -7.049 1.00 0.00 C ATOM 688 O VAL A 83 2.535 5.729 -7.607 1.00 0.00 O ATOM 689 CB VAL A 83 2.139 3.758 -4.996 1.00 0.00 C ATOM 690 CG1 VAL A 83 3.576 4.287 -4.835 1.00 0.00 C ATOM 691 CG2 VAL A 83 1.233 4.397 -3.922 1.00 0.00 C ATOM 0 H VAL A 83 3.276 2.819 -7.135 1.00 0.00 H new ATOM 0 HA VAL A 83 0.496 3.535 -6.394 1.00 0.00 H new ATOM 0 HB VAL A 83 2.181 2.682 -4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.882 4.197 -3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.251 3.705 -5.463 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.614 5.334 -5.135 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.712 4.316 -2.946 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.072 5.448 -4.160 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.274 3.879 -3.900 1.00 0.00 H new ATOM 692 N SER A 84 0.417 5.957 -6.827 1.00 0.00 N ATOM 693 CA SER A 84 0.390 7.440 -6.731 1.00 0.00 C ATOM 694 C SER A 84 -0.329 7.841 -5.413 1.00 0.00 C ATOM 695 O SER A 84 -1.229 7.144 -4.930 1.00 0.00 O ATOM 696 CB SER A 84 -0.353 8.072 -7.920 1.00 0.00 C ATOM 697 OG SER A 84 0.305 7.800 -9.148 1.00 0.00 O ATOM 0 H SER A 84 -0.498 5.523 -6.708 1.00 0.00 H new ATOM 0 HA SER A 84 1.417 7.804 -6.743 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.372 7.688 -7.959 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.424 9.150 -7.775 1.00 0.00 H new ATOM 0 HG SER A 84 -0.192 8.214 -9.884 1.00 0.00 H new ATOM 698 N ILE A 85 0.055 9.001 -4.856 1.00 0.00 N ATOM 699 CA ILE A 85 -0.628 9.591 -3.663 1.00 0.00 C ATOM 700 C ILE A 85 -1.112 11.033 -4.002 1.00 0.00 C ATOM 701 O ILE A 85 -0.339 11.872 -4.472 1.00 0.00 O ATOM 702 CB ILE A 85 0.171 9.509 -2.317 1.00 0.00 C ATOM 703 CG1 ILE A 85 1.506 10.292 -2.260 1.00 0.00 C ATOM 704 CG2 ILE A 85 0.383 8.042 -1.860 1.00 0.00 C ATOM 705 CD1 ILE A 85 2.089 10.519 -0.852 1.00 0.00 C ATOM 0 H ILE A 85 0.834 9.559 -5.204 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.493 8.960 -3.457 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.481 10.026 -1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.245 9.758 -2.857 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.357 11.263 -2.732 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.941 8.030 -0.924 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.585 7.563 -1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.943 7.501 -2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.022 11.076 -0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.378 11.085 -0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.280 9.556 -0.378 1.00 0.00 H new ATOM 706 N TYR A 86 -2.397 11.295 -3.721 1.00 0.00 N ATOM 707 CA TYR A 86 -3.043 12.630 -3.885 1.00 0.00 C ATOM 708 C TYR A 86 -3.437 13.119 -2.470 1.00 0.00 C ATOM 709 O TYR A 86 -3.880 12.346 -1.608 1.00 0.00 O ATOM 710 CB TYR A 86 -4.305 12.616 -4.800 1.00 0.00 C ATOM 711 CG TYR A 86 -4.217 11.861 -6.138 1.00 0.00 C ATOM 712 CD1 TYR A 86 -4.418 10.474 -6.142 1.00 0.00 C ATOM 713 CD2 TYR A 86 -3.941 12.520 -7.342 1.00 0.00 C ATOM 714 CE1 TYR A 86 -4.315 9.756 -7.323 1.00 0.00 C ATOM 715 CE2 TYR A 86 -3.856 11.794 -8.532 1.00 0.00 C ATOM 716 CZ TYR A 86 -4.036 10.410 -8.519 1.00 0.00 C ATOM 717 OH TYR A 86 -3.937 9.690 -9.682 1.00 0.00 O ATOM 0 H TYR A 86 -3.036 10.583 -3.368 1.00 0.00 H new ATOM 0 HA TYR A 86 -2.331 13.293 -4.378 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.128 12.187 -4.228 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.572 13.650 -5.017 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.654 9.962 -5.221 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.794 13.590 -7.351 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -4.452 8.685 -7.315 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -3.651 12.303 -9.462 1.00 0.00 H new ATOM 0 HH TYR A 86 -3.739 10.296 -10.426 1.00 0.00 H new ATOM 718 N ASP A 87 -3.314 14.432 -2.250 1.00 0.00 N ATOM 719 CA ASP A 87 -3.620 15.059 -0.936 1.00 0.00 C ATOM 720 C ASP A 87 -5.166 15.187 -0.698 1.00 0.00 C ATOM 721 O ASP A 87 -5.985 14.812 -1.548 1.00 0.00 O ATOM 722 CB ASP A 87 -2.858 16.417 -0.846 1.00 0.00 C ATOM 723 CG ASP A 87 -1.321 16.344 -0.929 1.00 0.00 C ATOM 724 OD1 ASP A 87 -0.679 15.873 0.037 1.00 0.00 O ATOM 725 OD2 ASP A 87 -0.754 16.743 -1.970 1.00 0.00 O ATOM 0 H ASP A 87 -3.004 15.094 -2.961 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.270 14.420 -0.125 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.214 17.063 -1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.127 16.899 0.094 1.00 0.00 H new ATOM 726 N THR A 88 -5.566 15.732 0.464 1.00 0.00 N ATOM 727 CA THR A 88 -6.973 16.193 0.687 1.00 0.00 C ATOM 728 C THR A 88 -7.428 17.425 -0.170 1.00 0.00 C ATOM 729 O THR A 88 -8.614 17.510 -0.507 1.00 0.00 O ATOM 730 CB THR A 88 -7.289 16.295 2.207 1.00 0.00 C ATOM 731 OG1 THR A 88 -8.688 16.471 2.404 1.00 0.00 O ATOM 732 CG2 THR A 88 -6.541 17.376 2.987 1.00 0.00 C ATOM 0 H THR A 88 -4.950 15.869 1.266 1.00 0.00 H new ATOM 0 HA THR A 88 -7.615 15.411 0.282 1.00 0.00 H new ATOM 0 HB THR A 88 -6.930 15.349 2.613 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.878 16.533 3.363 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.846 17.347 4.033 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.468 17.198 2.917 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.775 18.355 2.568 1.00 0.00 H new ATOM 733 N LYS A 89 -6.498 18.305 -0.600 1.00 0.00 N ATOM 734 CA LYS A 89 -6.698 19.174 -1.797 1.00 0.00 C ATOM 735 C LYS A 89 -6.863 18.387 -3.142 1.00 0.00 C ATOM 736 O LYS A 89 -7.773 18.720 -3.906 1.00 0.00 O ATOM 737 CB LYS A 89 -5.549 20.212 -1.921 1.00 0.00 C ATOM 738 CG LYS A 89 -5.508 21.282 -0.807 1.00 0.00 C ATOM 739 CD LYS A 89 -4.394 22.331 -1.002 1.00 0.00 C ATOM 740 CE LYS A 89 -4.388 23.378 0.122 1.00 0.00 C ATOM 741 NZ LYS A 89 -3.349 24.406 -0.085 1.00 0.00 N ATOM 0 H LYS A 89 -5.597 18.438 -0.140 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.645 19.687 -1.629 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.598 19.679 -1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.638 20.716 -2.884 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.471 21.790 -0.767 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -5.367 20.789 0.155 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -3.426 21.830 -1.037 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -4.529 22.830 -1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.366 23.857 0.177 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -4.222 22.882 1.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -3.379 25.092 0.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -2.413 23.953 -0.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -3.521 24.898 -0.985 1.00 0.00 H new ATOM 742 N GLY A 90 -6.018 17.369 -3.423 1.00 0.00 N ATOM 743 CA GLY A 90 -6.177 16.484 -4.602 1.00 0.00 C ATOM 744 C GLY A 90 -5.163 16.721 -5.738 1.00 0.00 C ATOM 745 O GLY A 90 -5.572 16.872 -6.892 1.00 0.00 O ATOM 0 H GLY A 90 -5.211 17.138 -2.843 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -6.095 15.448 -4.273 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -7.183 16.613 -5.001 1.00 0.00 H new ATOM 746 N LYS A 91 -3.860 16.751 -5.404 1.00 0.00 N ATOM 747 CA LYS A 91 -2.763 16.980 -6.378 1.00 0.00 C ATOM 748 C LYS A 91 -1.690 15.891 -6.108 1.00 0.00 C ATOM 749 O LYS A 91 -1.264 15.675 -4.966 1.00 0.00 O ATOM 750 CB LYS A 91 -2.149 18.408 -6.265 1.00 0.00 C ATOM 751 CG LYS A 91 -2.924 19.562 -6.949 1.00 0.00 C ATOM 752 CD LYS A 91 -4.118 20.152 -6.165 1.00 0.00 C ATOM 753 CE LYS A 91 -4.805 21.301 -6.917 1.00 0.00 C ATOM 754 NZ LYS A 91 -6.015 21.772 -6.217 1.00 0.00 N ATOM 0 H LYS A 91 -3.531 16.617 -4.448 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.153 16.912 -7.394 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.045 18.650 -5.207 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.144 18.379 -6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.221 20.368 -7.157 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.291 19.203 -7.910 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.845 19.364 -5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.770 20.512 -5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.106 22.130 -7.031 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.072 20.969 -7.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.449 22.548 -6.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.693 20.988 -6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.757 22.112 -5.269 1.00 0.00 H new ATOM 755 N ASN A 92 -1.243 15.224 -7.190 1.00 0.00 N ATOM 756 CA ASN A 92 -0.320 14.060 -7.108 1.00 0.00 C ATOM 757 C ASN A 92 1.110 14.509 -6.686 1.00 0.00 C ATOM 758 O ASN A 92 1.784 15.221 -7.441 1.00 0.00 O ATOM 759 CB ASN A 92 -0.321 13.322 -8.476 1.00 0.00 C ATOM 760 CG ASN A 92 0.337 11.923 -8.513 1.00 0.00 C ATOM 761 OD1 ASN A 92 0.936 11.437 -7.551 1.00 0.00 O ATOM 762 ND2 ASN A 92 0.232 11.251 -9.647 1.00 0.00 N ATOM 0 H ASN A 92 -1.506 15.470 -8.144 1.00 0.00 H new ATOM 0 HA ASN A 92 -0.665 13.369 -6.338 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.355 13.220 -8.807 1.00 0.00 H new ATOM 0 HB3 ASN A 92 0.186 13.955 -9.204 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.648 10.324 -9.731 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -0.265 11.660 -10.438 1.00 0.00 H new ATOM 763 N VAL A 93 1.538 14.108 -5.474 1.00 0.00 N ATOM 764 CA VAL A 93 2.827 14.581 -4.874 1.00 0.00 C ATOM 765 C VAL A 93 3.993 13.559 -5.034 1.00 0.00 C ATOM 766 O VAL A 93 5.092 13.938 -5.457 1.00 0.00 O ATOM 767 CB VAL A 93 2.669 15.125 -3.404 1.00 0.00 C ATOM 768 CG1 VAL A 93 2.321 16.628 -3.391 1.00 0.00 C ATOM 769 CG2 VAL A 93 1.756 14.333 -2.444 1.00 0.00 C ATOM 0 H VAL A 93 1.020 13.459 -4.882 1.00 0.00 H new ATOM 0 HA VAL A 93 3.121 15.446 -5.468 1.00 0.00 H new ATOM 0 HB VAL A 93 3.662 14.965 -2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.220 16.969 -2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.115 17.190 -3.883 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.382 16.789 -3.920 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.742 14.821 -1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.744 14.300 -2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.136 13.317 -2.335 1.00 0.00 H new ATOM 770 N LEU A 94 3.744 12.300 -4.668 1.00 0.00 N ATOM 771 CA LEU A 94 4.769 11.219 -4.629 1.00 0.00 C ATOM 772 C LEU A 94 4.231 9.987 -5.423 1.00 0.00 C ATOM 773 O LEU A 94 3.081 9.560 -5.243 1.00 0.00 O ATOM 774 CB LEU A 94 5.105 10.912 -3.131 1.00 0.00 C ATOM 775 CG LEU A 94 6.506 10.374 -2.737 1.00 0.00 C ATOM 776 CD1 LEU A 94 6.785 8.945 -3.226 1.00 0.00 C ATOM 777 CD2 LEU A 94 7.662 11.323 -3.103 1.00 0.00 C ATOM 0 H LEU A 94 2.817 11.984 -4.384 1.00 0.00 H new ATOM 0 HA LEU A 94 5.701 11.515 -5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.943 11.832 -2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.370 10.189 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 94 6.466 10.330 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.783 8.641 -2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.047 8.264 -2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.722 8.914 -4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.609 10.878 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.670 11.488 -4.180 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.526 12.276 -2.591 1.00 0.00 H new ATOM 778 N GLU A 95 5.072 9.427 -6.318 1.00 0.00 N ATOM 779 CA GLU A 95 4.719 8.241 -7.154 1.00 0.00 C ATOM 780 C GLU A 95 5.970 7.335 -7.393 1.00 0.00 C ATOM 781 O GLU A 95 7.057 7.826 -7.713 1.00 0.00 O ATOM 782 CB GLU A 95 3.972 8.656 -8.455 1.00 0.00 C ATOM 783 CG GLU A 95 4.722 9.564 -9.454 1.00 0.00 C ATOM 784 CD GLU A 95 3.821 10.056 -10.590 1.00 0.00 C ATOM 785 OE1 GLU A 95 3.442 9.239 -11.459 1.00 0.00 O ATOM 786 OE2 GLU A 95 3.489 11.263 -10.622 1.00 0.00 O ATOM 0 H GLU A 95 6.015 9.777 -6.487 1.00 0.00 H new ATOM 0 HA GLU A 95 4.006 7.625 -6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 95 3.683 7.746 -8.981 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.052 9.163 -8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.132 10.423 -8.922 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.566 9.017 -9.875 1.00 0.00 H new ATOM 787 N LYS A 96 5.797 6.013 -7.192 1.00 0.00 N ATOM 788 CA LYS A 96 6.907 5.010 -7.166 1.00 0.00 C ATOM 789 C LYS A 96 6.386 3.636 -7.722 1.00 0.00 C ATOM 790 O LYS A 96 5.191 3.439 -7.962 1.00 0.00 O ATOM 791 CB LYS A 96 7.502 4.857 -5.732 1.00 0.00 C ATOM 792 CG LYS A 96 8.290 6.042 -5.136 1.00 0.00 C ATOM 793 CD LYS A 96 9.638 6.353 -5.820 1.00 0.00 C ATOM 794 CE LYS A 96 10.343 7.565 -5.180 1.00 0.00 C ATOM 795 NZ LYS A 96 11.636 7.836 -5.823 1.00 0.00 N ATOM 0 H LYS A 96 4.878 5.597 -7.041 1.00 0.00 H new ATOM 0 HA LYS A 96 7.715 5.363 -7.806 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.680 4.630 -5.054 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.161 3.989 -5.736 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.664 6.933 -5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.476 5.839 -4.081 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.287 5.480 -5.756 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.471 6.548 -6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.704 8.444 -5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.496 7.379 -4.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.084 8.657 -5.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.254 7.005 -5.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.486 8.037 -6.832 1.00 0.00 H new ATOM 796 N ILE A 97 7.315 2.692 -7.980 1.00 0.00 N ATOM 797 CA ILE A 97 7.072 1.539 -8.895 1.00 0.00 C ATOM 798 C ILE A 97 7.464 0.240 -8.124 1.00 0.00 C ATOM 799 O ILE A 97 8.631 -0.123 -7.973 1.00 0.00 O ATOM 800 CB ILE A 97 7.840 1.680 -10.256 1.00 0.00 C ATOM 801 CG1 ILE A 97 7.778 3.105 -10.907 1.00 0.00 C ATOM 802 CG2 ILE A 97 7.344 0.615 -11.273 1.00 0.00 C ATOM 803 CD1 ILE A 97 8.793 3.404 -12.027 1.00 0.00 C ATOM 0 H ILE A 97 8.248 2.700 -7.568 1.00 0.00 H new ATOM 0 HA ILE A 97 6.019 1.504 -9.175 1.00 0.00 H new ATOM 0 HB ILE A 97 8.888 1.515 -10.006 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.776 3.251 -11.310 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.915 3.845 -10.118 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.887 0.727 -12.211 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.519 -0.382 -10.870 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.278 0.752 -11.452 1.00 0.00 H new ATOM 0 HD11 ILE A 97 8.644 4.420 -12.391 1.00 0.00 H new ATOM 0 HD12 ILE A 97 9.806 3.303 -11.637 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.648 2.700 -12.847 1.00 0.00 H new ATOM 804 N PHE A 98 6.448 -0.466 -7.645 1.00 0.00 N ATOM 805 CA PHE A 98 6.591 -1.543 -6.625 1.00 0.00 C ATOM 806 C PHE A 98 6.433 -2.942 -7.274 1.00 0.00 C ATOM 807 O PHE A 98 5.836 -3.087 -8.345 1.00 0.00 O ATOM 808 CB PHE A 98 5.485 -1.248 -5.580 1.00 0.00 C ATOM 809 CG PHE A 98 5.902 -0.223 -4.519 1.00 0.00 C ATOM 810 CD1 PHE A 98 5.767 1.150 -4.757 1.00 0.00 C ATOM 811 CD2 PHE A 98 6.386 -0.655 -3.284 1.00 0.00 C ATOM 812 CE1 PHE A 98 6.099 2.064 -3.764 1.00 0.00 C ATOM 813 CE2 PHE A 98 6.701 0.266 -2.288 1.00 0.00 C ATOM 814 CZ PHE A 98 6.566 1.622 -2.533 1.00 0.00 C ATOM 0 H PHE A 98 5.484 -0.320 -7.945 1.00 0.00 H new ATOM 0 HA PHE A 98 7.577 -1.554 -6.161 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.597 -0.884 -6.096 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.207 -2.178 -5.085 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.405 1.499 -5.713 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.517 -1.711 -3.099 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.993 3.123 -3.950 1.00 0.00 H new ATOM 0 HE2 PHE A 98 7.050 -0.077 -1.325 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.824 2.337 -1.766 1.00 0.00 H new ATOM 815 N ASP A 99 7.037 -3.980 -6.666 1.00 0.00 N ATOM 816 CA ASP A 99 7.231 -5.278 -7.369 1.00 0.00 C ATOM 817 C ASP A 99 7.271 -6.434 -6.346 1.00 0.00 C ATOM 818 O ASP A 99 8.294 -6.558 -5.665 1.00 0.00 O ATOM 819 CB ASP A 99 8.575 -5.292 -8.182 1.00 0.00 C ATOM 820 CG ASP A 99 8.726 -4.358 -9.391 1.00 0.00 C ATOM 821 OD1 ASP A 99 8.948 -3.141 -9.197 1.00 0.00 O ATOM 822 OD2 ASP A 99 8.652 -4.842 -10.538 1.00 0.00 O ATOM 0 H ASP A 99 7.395 -3.956 -5.711 1.00 0.00 H new ATOM 0 HA ASP A 99 6.395 -5.405 -8.056 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.382 -5.062 -7.486 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.737 -6.311 -8.532 1.00 0.00 H new ATOM 823 N LEU A 100 6.283 -7.369 -6.304 1.00 0.00 N ATOM 824 CA LEU A 100 6.485 -8.676 -5.607 1.00 0.00 C ATOM 825 C LEU A 100 7.819 -9.422 -5.943 1.00 0.00 C ATOM 826 O LEU A 100 8.190 -9.548 -7.117 1.00 0.00 O ATOM 827 CB LEU A 100 5.239 -9.590 -5.795 1.00 0.00 C ATOM 828 CG LEU A 100 5.040 -10.541 -7.024 1.00 0.00 C ATOM 829 CD1 LEU A 100 5.304 -9.939 -8.421 1.00 0.00 C ATOM 830 CD2 LEU A 100 5.741 -11.907 -6.867 1.00 0.00 C ATOM 0 H LEU A 100 5.364 -7.252 -6.730 1.00 0.00 H new ATOM 0 HA LEU A 100 6.594 -8.426 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.185 -10.221 -4.908 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.370 -8.932 -5.772 1.00 0.00 H new ATOM 0 HG LEU A 100 3.962 -10.701 -6.997 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.131 -10.699 -9.183 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.631 -9.098 -8.588 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.337 -9.595 -8.480 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.560 -12.513 -7.755 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.813 -11.754 -6.744 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.345 -12.420 -5.991 1.00 0.00 H new ATOM 831 N LYS A 101 8.536 -9.892 -4.913 1.00 0.00 N ATOM 832 CA LYS A 101 9.705 -10.793 -5.080 1.00 0.00 C ATOM 833 C LYS A 101 9.709 -11.773 -3.883 1.00 0.00 C ATOM 834 O LYS A 101 9.713 -11.367 -2.715 1.00 0.00 O ATOM 835 CB LYS A 101 11.071 -10.066 -5.196 1.00 0.00 C ATOM 836 CG LYS A 101 11.292 -9.304 -6.520 1.00 0.00 C ATOM 837 CD LYS A 101 12.775 -9.041 -6.833 1.00 0.00 C ATOM 838 CE LYS A 101 13.020 -8.321 -8.172 1.00 0.00 C ATOM 839 NZ LYS A 101 12.820 -9.178 -9.356 1.00 0.00 N ATOM 0 H LYS A 101 8.330 -9.664 -3.940 1.00 0.00 H new ATOM 0 HA LYS A 101 9.593 -11.311 -6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.163 -9.362 -4.369 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.868 -10.800 -5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.852 -9.875 -7.337 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.763 -8.352 -6.475 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.204 -8.444 -6.028 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.307 -9.992 -6.842 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.351 -7.463 -8.240 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.039 -7.933 -8.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.002 -8.626 -10.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.476 -9.984 -9.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.841 -9.528 -9.370 1.00 0.00 H new ATOM 840 N ILE A 102 9.713 -13.072 -4.212 1.00 0.00 N ATOM 841 CA ILE A 102 9.617 -14.177 -3.218 1.00 0.00 C ATOM 842 C ILE A 102 10.986 -14.916 -3.111 1.00 0.00 C ATOM 843 O ILE A 102 11.773 -14.984 -4.062 1.00 0.00 O ATOM 844 CB ILE A 102 8.390 -15.122 -3.472 1.00 0.00 C ATOM 845 CG1 ILE A 102 8.439 -15.905 -4.816 1.00 0.00 C ATOM 846 CG2 ILE A 102 7.042 -14.376 -3.299 1.00 0.00 C ATOM 847 CD1 ILE A 102 7.399 -17.026 -4.923 1.00 0.00 C ATOM 0 H ILE A 102 9.783 -13.399 -5.176 1.00 0.00 H new ATOM 0 HA ILE A 102 9.410 -13.747 -2.238 1.00 0.00 H new ATOM 0 HB ILE A 102 8.464 -15.884 -2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.289 -15.205 -5.638 1.00 0.00 H new ATOM 0 HG13 ILE A 102 9.434 -16.333 -4.939 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.218 -15.066 -3.484 1.00 0.00 H new ATOM 0 HG22 ILE A 102 6.969 -13.987 -2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.990 -13.550 -4.008 1.00 0.00 H new ATOM 0 HD11 ILE A 102 7.498 -17.523 -5.888 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.560 -17.749 -4.124 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.398 -16.604 -4.834 1.00 0.00 H new ATOM 848 N GLN A 103 11.248 -15.473 -1.916 1.00 0.00 N ATOM 849 CA GLN A 103 12.551 -16.108 -1.576 1.00 0.00 C ATOM 850 C GLN A 103 12.488 -17.637 -1.849 1.00 0.00 C ATOM 851 O GLN A 103 11.499 -18.304 -1.525 1.00 0.00 O ATOM 852 CB GLN A 103 12.929 -15.802 -0.102 1.00 0.00 C ATOM 853 CG GLN A 103 13.334 -14.332 0.160 1.00 0.00 C ATOM 854 CD GLN A 103 13.648 -14.042 1.633 1.00 0.00 C ATOM 855 OE1 GLN A 103 12.764 -13.689 2.415 1.00 0.00 O ATOM 856 NE2 GLN A 103 14.902 -14.177 2.043 1.00 0.00 N ATOM 0 H GLN A 103 10.570 -15.500 -1.154 1.00 0.00 H new ATOM 0 HA GLN A 103 13.332 -15.690 -2.210 1.00 0.00 H new ATOM 0 HB2 GLN A 103 12.083 -16.053 0.537 1.00 0.00 H new ATOM 0 HB3 GLN A 103 13.754 -16.452 0.192 1.00 0.00 H new ATOM 0 HG2 GLN A 103 14.208 -14.090 -0.445 1.00 0.00 H new ATOM 0 HG3 GLN A 103 12.528 -13.676 -0.168 1.00 0.00 H new ATOM 0 HE21 GLN A 103 15.625 -14.470 1.386 1.00 0.00 H new ATOM 0 HE22 GLN A 103 15.144 -13.988 3.016 1.00 0.00 H new ATOM 857 N GLU A 104 13.559 -18.168 -2.468 1.00 0.00 N ATOM 858 CA GLU A 104 13.628 -19.589 -2.912 1.00 0.00 C ATOM 859 C GLU A 104 15.007 -20.165 -2.483 1.00 0.00 C ATOM 860 O GLU A 104 15.988 -20.203 -3.233 1.00 0.00 O ATOM 861 CB GLU A 104 13.433 -19.712 -4.440 1.00 0.00 C ATOM 862 CG GLU A 104 12.074 -19.248 -5.012 1.00 0.00 C ATOM 863 CD GLU A 104 12.027 -19.349 -6.537 1.00 0.00 C ATOM 864 OE1 GLU A 104 12.465 -18.394 -7.219 1.00 0.00 O ATOM 865 OE2 GLU A 104 11.554 -20.380 -7.064 1.00 0.00 O ATOM 0 H GLU A 104 14.402 -17.634 -2.678 1.00 0.00 H new ATOM 0 HA GLU A 104 12.823 -20.156 -2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.220 -19.139 -4.930 1.00 0.00 H new ATOM 0 HB3 GLU A 104 13.579 -20.756 -4.718 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.275 -19.854 -4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 104 11.888 -18.217 -4.712 1.00 0.00 H new ATOM 866 N ARG A 105 15.029 -20.620 -1.225 1.00 0.00 N ATOM 867 CA ARG A 105 16.225 -21.212 -0.571 1.00 0.00 C ATOM 868 C ARG A 105 16.425 -22.701 -0.946 1.00 0.00 C ATOM 869 O ARG A 105 15.471 -23.509 -0.837 1.00 0.00 O ATOM 870 CB ARG A 105 16.213 -20.979 0.967 1.00 0.00 C ATOM 871 CG ARG A 105 15.004 -21.522 1.773 1.00 0.00 C ATOM 872 CD ARG A 105 15.082 -21.276 3.292 1.00 0.00 C ATOM 873 NE ARG A 105 16.063 -22.164 3.964 1.00 0.00 N ATOM 874 CZ ARG A 105 16.326 -22.154 5.284 1.00 0.00 C ATOM 875 NH1 ARG A 105 15.750 -21.321 6.152 1.00 0.00 N ATOM 876 NH2 ARG A 105 17.207 -23.021 5.750 1.00 0.00 N ATOM 877 OXT ARG A 105 17.548 -23.067 -1.355 1.00 0.00 O ATOM 0 H ARG A 105 14.211 -20.592 -0.616 1.00 0.00 H new ATOM 0 HA ARG A 105 17.096 -20.685 -0.961 1.00 0.00 H new ATOM 0 HB2 ARG A 105 17.118 -21.425 1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 105 16.278 -19.905 1.143 1.00 0.00 H new ATOM 0 HG2 ARG A 105 14.093 -21.062 1.390 1.00 0.00 H new ATOM 0 HG3 ARG A 105 14.918 -22.594 1.596 1.00 0.00 H new ATOM 0 HD2 ARG A 105 15.354 -20.236 3.475 1.00 0.00 H new ATOM 0 HD3 ARG A 105 14.097 -21.430 3.732 1.00 0.00 H new ATOM 0 HE ARG A 105 16.574 -22.829 3.384 1.00 0.00 H new ATOM 0 HH11 ARG A 105 15.065 -20.639 5.827 1.00 0.00 H new ATOM 0 HH12 ARG A 105 15.995 -21.366 7.141 1.00 0.00 H new ATOM 0 HH21 ARG A 105 17.666 -23.673 5.114 1.00 0.00 H new ATOM 0 HH22 ARG A 105 17.428 -23.038 6.746 1.00 0.00 H new