USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 TYR OH : rot 180:sc= -0.0841 USER MOD Set 1.2: A 81 TYR OH : rot -26:sc=-0.00579 USER MOD Set 2.1: A 41 LYS NZ :NH3+ -172:sc= 0 (180deg=0) USER MOD Set 2.2: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 46 GLN : amide:sc= -0.0601 X(o=-0.06,f=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 72:sc= 0.126 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-2.1) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.13) USER MOD Single : A 26 MET CE :methyl 179:sc= 0 (180deg=-0.0038) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 37 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.188) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.525 USER MOD Single : A 39 SER OG : rot -125:sc= 0.127 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 2:sc= 0.118 USER MOD Single : A 55 LYS NZ :NH3+ 140:sc= -0.278 (180deg=-1.53!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -159:sc= 0.0416 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00684) USER MOD Single : A 72 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc=-0.00525 USER MOD Single : A 78 GLN : amide:sc= -1.41 K(o=-1.4,f=0.14) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -70:sc= 0.358 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0.0039) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.199) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 34 N ASN A 5 13.702 5.156 -8.085 1.00 0.00 N ATOM 35 CA ASN A 5 12.556 5.255 -7.132 1.00 0.00 C ATOM 36 C ASN A 5 11.536 4.097 -7.369 1.00 0.00 C ATOM 37 O ASN A 5 10.353 4.297 -7.655 1.00 0.00 O ATOM 38 CB ASN A 5 11.879 6.641 -7.235 1.00 0.00 C ATOM 39 CG ASN A 5 12.732 7.876 -6.882 1.00 0.00 C ATOM 40 OD1 ASN A 5 13.202 8.597 -7.761 1.00 0.00 O ATOM 41 ND2 ASN A 5 12.953 8.143 -5.605 1.00 0.00 N ATOM 0 HA ASN A 5 12.940 5.150 -6.117 1.00 0.00 H new ATOM 0 HB2 ASN A 5 11.516 6.763 -8.255 1.00 0.00 H new ATOM 0 HB3 ASN A 5 11.005 6.638 -6.584 1.00 0.00 H new ATOM 0 HD21 ASN A 5 13.517 8.952 -5.343 1.00 0.00 H new ATOM 0 HD22 ASN A 5 12.560 7.540 -4.882 1.00 0.00 H new ATOM 42 N ALA A 6 12.049 2.871 -7.206 1.00 0.00 N ATOM 43 CA ALA A 6 11.287 1.615 -7.410 1.00 0.00 C ATOM 44 C ALA A 6 11.907 0.481 -6.562 1.00 0.00 C ATOM 45 O ALA A 6 13.123 0.250 -6.599 1.00 0.00 O ATOM 46 CB ALA A 6 11.273 1.204 -8.898 1.00 0.00 C ATOM 0 H ALA A 6 13.017 2.713 -6.925 1.00 0.00 H new ATOM 0 HA ALA A 6 10.258 1.789 -7.095 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.707 0.280 -9.015 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.807 1.992 -9.489 1.00 0.00 H new ATOM 0 HB3 ALA A 6 12.296 1.049 -9.242 1.00 0.00 H new ATOM 47 N LEU A 7 11.052 -0.217 -5.792 1.00 0.00 N ATOM 48 CA LEU A 7 11.494 -1.124 -4.710 1.00 0.00 C ATOM 49 C LEU A 7 11.067 -2.558 -5.070 1.00 0.00 C ATOM 50 O LEU A 7 9.887 -2.876 -5.254 1.00 0.00 O ATOM 51 CB LEU A 7 10.935 -0.709 -3.317 1.00 0.00 C ATOM 52 CG LEU A 7 11.215 0.752 -2.874 1.00 0.00 C ATOM 53 CD1 LEU A 7 10.679 1.042 -1.460 1.00 0.00 C ATOM 54 CD2 LEU A 7 12.697 1.193 -2.924 1.00 0.00 C ATOM 0 H LEU A 7 10.039 -0.170 -5.899 1.00 0.00 H new ATOM 0 HA LEU A 7 12.579 -1.063 -4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 7 9.856 -0.865 -3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.352 -1.381 -2.567 1.00 0.00 H new ATOM 0 HG LEU A 7 10.679 1.335 -3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.898 2.076 -1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.601 0.882 -1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 7 11.158 0.373 -0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 7 12.780 2.229 -2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.289 0.555 -2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.068 1.106 -3.945 1.00 0.00 H new ATOM 55 N GLU A 8 12.088 -3.416 -5.122 1.00 0.00 N ATOM 56 CA GLU A 8 11.925 -4.877 -5.337 1.00 0.00 C ATOM 57 C GLU A 8 11.582 -5.532 -3.971 1.00 0.00 C ATOM 58 O GLU A 8 12.358 -5.504 -3.011 1.00 0.00 O ATOM 59 CB GLU A 8 13.174 -5.528 -5.982 1.00 0.00 C ATOM 60 CG GLU A 8 13.452 -5.212 -7.473 1.00 0.00 C ATOM 61 CD GLU A 8 13.925 -3.784 -7.776 1.00 0.00 C ATOM 62 OE1 GLU A 8 15.135 -3.506 -7.635 1.00 0.00 O ATOM 63 OE2 GLU A 8 13.086 -2.938 -8.156 1.00 0.00 O ATOM 0 H GLU A 8 13.061 -3.127 -5.017 1.00 0.00 H new ATOM 0 HA GLU A 8 11.114 -5.042 -6.046 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.048 -5.225 -5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.082 -6.609 -5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.206 -5.909 -7.838 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.541 -5.401 -8.041 1.00 0.00 H new ATOM 64 N THR A 9 10.355 -6.052 -3.923 1.00 0.00 N ATOM 65 CA THR A 9 9.628 -6.363 -2.668 1.00 0.00 C ATOM 66 C THR A 9 9.434 -7.905 -2.665 1.00 0.00 C ATOM 67 O THR A 9 8.642 -8.446 -3.444 1.00 0.00 O ATOM 68 CB THR A 9 8.332 -5.490 -2.663 1.00 0.00 C ATOM 69 OG1 THR A 9 8.675 -4.106 -2.588 1.00 0.00 O ATOM 70 CG2 THR A 9 7.344 -5.757 -1.528 1.00 0.00 C ATOM 0 H THR A 9 9.820 -6.277 -4.762 1.00 0.00 H new ATOM 0 HA THR A 9 10.141 -6.116 -1.739 1.00 0.00 H new ATOM 0 HB THR A 9 7.835 -5.767 -3.593 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.055 -3.816 -3.443 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.486 -5.093 -1.629 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.008 -6.793 -1.574 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.832 -5.576 -0.570 1.00 0.00 H new ATOM 71 N TRP A 10 10.211 -8.606 -1.821 1.00 0.00 N ATOM 72 CA TRP A 10 10.370 -10.086 -1.900 1.00 0.00 C ATOM 73 C TRP A 10 9.651 -10.801 -0.722 1.00 0.00 C ATOM 74 O TRP A 10 9.631 -10.321 0.416 1.00 0.00 O ATOM 75 CB TRP A 10 11.879 -10.470 -1.939 1.00 0.00 C ATOM 76 CG TRP A 10 12.586 -10.150 -3.264 1.00 0.00 C ATOM 77 CD1 TRP A 10 13.418 -9.037 -3.508 1.00 0.00 C ATOM 78 CD2 TRP A 10 12.533 -10.843 -4.462 1.00 0.00 C ATOM 79 NE1 TRP A 10 13.888 -9.020 -4.833 1.00 0.00 N ATOM 80 CE2 TRP A 10 13.323 -10.144 -5.407 1.00 0.00 C ATOM 81 CE3 TRP A 10 11.851 -12.031 -4.836 1.00 0.00 C ATOM 82 CZ2 TRP A 10 13.433 -10.623 -6.736 1.00 0.00 C ATOM 83 CZ3 TRP A 10 11.978 -12.484 -6.149 1.00 0.00 C ATOM 84 CH2 TRP A 10 12.755 -11.792 -7.087 1.00 0.00 C ATOM 0 H TRP A 10 10.747 -8.176 -1.067 1.00 0.00 H new ATOM 0 HA TRP A 10 9.900 -10.423 -2.824 1.00 0.00 H new ATOM 0 HB2 TRP A 10 12.394 -9.948 -1.132 1.00 0.00 H new ATOM 0 HB3 TRP A 10 11.974 -11.537 -1.740 1.00 0.00 H new ATOM 0 HD1 TRP A 10 13.664 -8.290 -2.768 1.00 0.00 H new ATOM 0 HE1 TRP A 10 14.505 -8.335 -5.271 1.00 0.00 H new ATOM 0 HE3 TRP A 10 11.248 -12.571 -4.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 14.030 -10.094 -7.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 11.467 -13.387 -6.449 1.00 0.00 H new ATOM 0 HH2 TRP A 10 12.831 -12.168 -8.096 1.00 0.00 H new ATOM 85 N GLY A 11 9.095 -11.987 -1.029 1.00 0.00 N ATOM 86 CA GLY A 11 8.385 -12.818 -0.036 1.00 0.00 C ATOM 87 C GLY A 11 8.107 -14.231 -0.580 1.00 0.00 C ATOM 88 O GLY A 11 7.520 -14.385 -1.656 1.00 0.00 O ATOM 0 H GLY A 11 9.124 -12.395 -1.963 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.981 -12.888 0.874 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.444 -12.339 0.235 1.00 0.00 H new ATOM 89 N ALA A 12 8.480 -15.261 0.202 1.00 0.00 N ATOM 90 CA ALA A 12 8.152 -16.682 -0.114 1.00 0.00 C ATOM 91 C ALA A 12 6.648 -17.022 0.121 1.00 0.00 C ATOM 92 O ALA A 12 5.958 -16.309 0.859 1.00 0.00 O ATOM 93 CB ALA A 12 9.059 -17.587 0.745 1.00 0.00 C ATOM 0 H ALA A 12 9.012 -15.144 1.064 1.00 0.00 H new ATOM 0 HA ALA A 12 8.333 -16.852 -1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.837 -18.633 0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.104 -17.382 0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.878 -17.386 1.801 1.00 0.00 H new ATOM 94 N LEU A 13 6.151 -18.114 -0.509 1.00 0.00 N ATOM 95 CA LEU A 13 4.695 -18.454 -0.506 1.00 0.00 C ATOM 96 C LEU A 13 4.080 -18.560 0.926 1.00 0.00 C ATOM 97 O LEU A 13 4.508 -19.372 1.755 1.00 0.00 O ATOM 98 CB LEU A 13 4.338 -19.766 -1.260 1.00 0.00 C ATOM 99 CG LEU A 13 4.265 -19.712 -2.810 1.00 0.00 C ATOM 100 CD1 LEU A 13 5.638 -19.880 -3.446 1.00 0.00 C ATOM 101 CD2 LEU A 13 3.286 -20.739 -3.411 1.00 0.00 C ATOM 0 H LEU A 13 6.729 -18.776 -1.026 1.00 0.00 H new ATOM 0 HA LEU A 13 4.261 -17.607 -1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.074 -20.521 -0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.373 -20.113 -0.891 1.00 0.00 H new ATOM 0 HG LEU A 13 3.881 -18.719 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.544 -19.836 -4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.297 -19.081 -3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.058 -20.843 -3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.284 -20.647 -4.497 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.598 -21.746 -3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.282 -20.552 -3.029 1.00 0.00 H new ATOM 102 N GLY A 14 3.078 -17.711 1.176 1.00 0.00 N ATOM 103 CA GLY A 14 2.346 -17.670 2.460 1.00 0.00 C ATOM 104 C GLY A 14 3.040 -16.865 3.575 1.00 0.00 C ATOM 105 O GLY A 14 3.584 -17.455 4.514 1.00 0.00 O ATOM 0 H GLY A 14 2.746 -17.028 0.495 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.358 -17.244 2.285 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.196 -18.692 2.809 1.00 0.00 H new ATOM 106 N GLN A 15 3.008 -15.527 3.460 1.00 0.00 N ATOM 107 CA GLN A 15 3.640 -14.588 4.437 1.00 0.00 C ATOM 108 C GLN A 15 2.933 -13.189 4.348 1.00 0.00 C ATOM 109 O GLN A 15 2.492 -12.750 3.284 1.00 0.00 O ATOM 110 CB GLN A 15 5.190 -14.593 4.222 1.00 0.00 C ATOM 111 CG GLN A 15 6.059 -13.665 5.104 1.00 0.00 C ATOM 112 CD GLN A 15 6.501 -12.361 4.410 1.00 0.00 C ATOM 113 OE1 GLN A 15 5.688 -11.508 4.059 1.00 0.00 O ATOM 114 NE2 GLN A 15 7.794 -12.174 4.191 1.00 0.00 N ATOM 0 H GLN A 15 2.543 -15.051 2.687 1.00 0.00 H new ATOM 0 HA GLN A 15 3.497 -14.905 5.470 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.542 -15.614 4.368 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.381 -14.335 3.180 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.500 -13.412 6.005 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.946 -14.212 5.422 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.468 -12.882 4.482 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.115 -11.322 3.731 1.00 0.00 H new ATOM 115 N ASP A 16 2.826 -12.478 5.491 1.00 0.00 N ATOM 116 CA ASP A 16 2.080 -11.184 5.577 1.00 0.00 C ATOM 117 C ASP A 16 3.014 -9.976 5.274 1.00 0.00 C ATOM 118 O ASP A 16 4.077 -9.847 5.894 1.00 0.00 O ATOM 119 CB ASP A 16 1.424 -10.993 6.972 1.00 0.00 C ATOM 120 CG ASP A 16 0.270 -11.950 7.347 1.00 0.00 C ATOM 121 OD1 ASP A 16 0.415 -13.185 7.201 1.00 0.00 O ATOM 122 OD2 ASP A 16 -0.787 -11.461 7.802 1.00 0.00 O ATOM 0 H ASP A 16 3.244 -12.771 6.374 1.00 0.00 H new ATOM 0 HA ASP A 16 1.292 -11.224 4.825 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.203 -11.091 7.728 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.049 -9.971 7.032 1.00 0.00 H new ATOM 123 N ILE A 17 2.609 -9.095 4.333 1.00 0.00 N ATOM 124 CA ILE A 17 3.455 -7.946 3.870 1.00 0.00 C ATOM 125 C ILE A 17 2.574 -6.677 3.611 1.00 0.00 C ATOM 126 O ILE A 17 1.596 -6.737 2.861 1.00 0.00 O ATOM 127 CB ILE A 17 4.372 -8.375 2.666 1.00 0.00 C ATOM 128 CG1 ILE A 17 5.510 -7.353 2.373 1.00 0.00 C ATOM 129 CG2 ILE A 17 3.592 -8.731 1.375 1.00 0.00 C ATOM 130 CD1 ILE A 17 6.706 -7.914 1.583 1.00 0.00 C ATOM 0 H ILE A 17 1.701 -9.148 3.871 1.00 0.00 H new ATOM 0 HA ILE A 17 4.146 -7.655 4.661 1.00 0.00 H new ATOM 0 HB ILE A 17 4.842 -9.299 3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.090 -6.514 1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.874 -6.957 3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.295 -9.016 0.592 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.916 -9.562 1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.016 -7.866 1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.443 -7.126 1.430 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.160 -8.732 2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.363 -8.282 0.616 1.00 0.00 H new ATOM 131 N ASN A 18 2.949 -5.532 4.218 1.00 0.00 N ATOM 132 CA ASN A 18 2.151 -4.266 4.167 1.00 0.00 C ATOM 133 C ASN A 18 2.831 -3.185 3.277 1.00 0.00 C ATOM 134 O ASN A 18 4.048 -2.987 3.356 1.00 0.00 O ATOM 135 CB ASN A 18 1.929 -3.700 5.601 1.00 0.00 C ATOM 136 CG ASN A 18 1.098 -4.546 6.595 1.00 0.00 C ATOM 137 OD1 ASN A 18 0.545 -5.600 6.277 1.00 0.00 O ATOM 138 ND2 ASN A 18 1.000 -4.092 7.835 1.00 0.00 N ATOM 0 H ASN A 18 3.810 -5.448 4.759 1.00 0.00 H new ATOM 0 HA ASN A 18 1.188 -4.513 3.721 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.908 -3.527 6.047 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.446 -2.727 5.505 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.466 -4.615 8.529 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.459 -3.219 8.096 1.00 0.00 H new ATOM 139 N LEU A 19 2.021 -2.442 2.482 1.00 0.00 N ATOM 140 CA LEU A 19 2.495 -1.250 1.716 1.00 0.00 C ATOM 141 C LEU A 19 2.288 0.067 2.509 1.00 0.00 C ATOM 142 O LEU A 19 1.456 0.899 2.136 1.00 0.00 O ATOM 143 CB LEU A 19 1.890 -1.204 0.270 1.00 0.00 C ATOM 144 CG LEU A 19 2.681 -1.997 -0.815 1.00 0.00 C ATOM 145 CD1 LEU A 19 4.217 -1.813 -0.835 1.00 0.00 C ATOM 146 CD2 LEU A 19 2.390 -3.484 -0.824 1.00 0.00 C ATOM 0 H LEU A 19 1.030 -2.645 2.351 1.00 0.00 H new ATOM 0 HA LEU A 19 3.572 -1.354 1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.872 -1.592 0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.822 -0.162 -0.044 1.00 0.00 H new ATOM 0 HG LEU A 19 2.290 -1.526 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.645 -2.417 -1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.455 -0.763 -1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.634 -2.128 0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.978 -3.965 -1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.653 -3.912 0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.329 -3.646 -1.016 1.00 0.00 H new ATOM 147 N ASP A 20 3.110 0.233 3.567 1.00 0.00 N ATOM 148 CA ASP A 20 3.119 1.415 4.464 1.00 0.00 C ATOM 149 C ASP A 20 4.576 1.965 4.514 1.00 0.00 C ATOM 150 O ASP A 20 5.428 1.420 5.225 1.00 0.00 O ATOM 151 CB ASP A 20 2.507 1.082 5.859 1.00 0.00 C ATOM 152 CG ASP A 20 3.038 -0.092 6.713 1.00 0.00 C ATOM 153 OD1 ASP A 20 3.892 -0.885 6.251 1.00 0.00 O ATOM 154 OD2 ASP A 20 2.582 -0.227 7.869 1.00 0.00 O ATOM 0 H ASP A 20 3.804 -0.467 3.830 1.00 0.00 H new ATOM 0 HA ASP A 20 2.475 2.204 4.077 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.596 1.982 6.467 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.443 0.906 5.704 1.00 0.00 H new ATOM 155 N ILE A 21 4.867 3.014 3.713 1.00 0.00 N ATOM 156 CA ILE A 21 6.269 3.434 3.397 1.00 0.00 C ATOM 157 C ILE A 21 6.678 4.728 4.199 1.00 0.00 C ATOM 158 O ILE A 21 5.925 5.709 4.152 1.00 0.00 O ATOM 159 CB ILE A 21 6.500 3.499 1.843 1.00 0.00 C ATOM 160 CG1 ILE A 21 7.995 3.414 1.391 1.00 0.00 C ATOM 161 CG2 ILE A 21 5.707 4.603 1.098 1.00 0.00 C ATOM 162 CD1 ILE A 21 8.883 4.667 1.420 1.00 0.00 C ATOM 0 H ILE A 21 4.154 3.593 3.268 1.00 0.00 H new ATOM 0 HA ILE A 21 6.964 2.671 3.749 1.00 0.00 H new ATOM 0 HB ILE A 21 6.049 2.564 1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.478 2.661 2.013 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.003 3.036 0.369 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.938 4.561 0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.638 4.445 1.244 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.986 5.580 1.492 1.00 0.00 H new ATOM 0 HD11 ILE A 21 9.884 4.412 1.072 1.00 0.00 H new ATOM 0 HD12 ILE A 21 8.456 5.430 0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 21 8.940 5.049 2.439 1.00 0.00 H new ATOM 163 N PRO A 22 7.848 4.800 4.909 1.00 0.00 N ATOM 164 CA PRO A 22 8.313 6.031 5.613 1.00 0.00 C ATOM 165 C PRO A 22 8.933 7.113 4.675 1.00 0.00 C ATOM 166 O PRO A 22 8.848 7.056 3.446 1.00 0.00 O ATOM 167 CB PRO A 22 9.284 5.390 6.639 1.00 0.00 C ATOM 168 CG PRO A 22 9.915 4.195 5.924 1.00 0.00 C ATOM 169 CD PRO A 22 8.775 3.655 5.067 1.00 0.00 C ATOM 0 HA PRO A 22 7.526 6.633 6.068 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.045 6.103 6.955 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.752 5.073 7.536 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.768 4.495 5.315 1.00 0.00 H new ATOM 0 HG3 PRO A 22 10.275 3.448 6.631 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.138 3.303 4.101 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.283 2.811 5.549 1.00 0.00 H new ATOM 170 N SER A 23 9.533 8.139 5.301 1.00 0.00 N ATOM 171 CA SER A 23 10.347 9.185 4.612 1.00 0.00 C ATOM 172 C SER A 23 9.534 10.086 3.631 1.00 0.00 C ATOM 173 O SER A 23 9.791 10.110 2.421 1.00 0.00 O ATOM 174 CB SER A 23 11.655 8.588 4.019 1.00 0.00 C ATOM 175 OG SER A 23 12.535 9.610 3.573 1.00 0.00 O ATOM 0 H SER A 23 9.473 8.278 6.310 1.00 0.00 H new ATOM 0 HA SER A 23 10.661 9.893 5.379 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.154 7.980 4.773 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.411 7.927 3.187 1.00 0.00 H new ATOM 0 HG SER A 23 13.349 9.204 3.207 1.00 0.00 H new ATOM 176 N PHE A 24 8.578 10.851 4.184 1.00 0.00 N ATOM 177 CA PHE A 24 7.934 11.990 3.469 1.00 0.00 C ATOM 178 C PHE A 24 7.486 13.050 4.503 1.00 0.00 C ATOM 179 O PHE A 24 6.629 12.787 5.356 1.00 0.00 O ATOM 180 CB PHE A 24 6.830 11.602 2.439 1.00 0.00 C ATOM 181 CG PHE A 24 5.736 10.580 2.818 1.00 0.00 C ATOM 182 CD1 PHE A 24 4.618 10.962 3.569 1.00 0.00 C ATOM 183 CD2 PHE A 24 5.811 9.271 2.324 1.00 0.00 C ATOM 184 CE1 PHE A 24 3.603 10.045 3.838 1.00 0.00 C ATOM 185 CE2 PHE A 24 4.790 8.364 2.584 1.00 0.00 C ATOM 186 CZ PHE A 24 3.692 8.747 3.344 1.00 0.00 C ATOM 0 H PHE A 24 8.225 10.708 5.130 1.00 0.00 H new ATOM 0 HA PHE A 24 8.690 12.428 2.818 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.325 12.522 2.146 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.336 11.220 1.552 1.00 0.00 H new ATOM 0 HD1 PHE A 24 4.541 11.973 3.942 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.666 8.965 1.739 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.749 10.341 4.429 1.00 0.00 H new ATOM 0 HE2 PHE A 24 4.851 7.359 2.194 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.906 8.036 3.552 1.00 0.00 H new ATOM 187 N GLN A 25 8.080 14.258 4.410 1.00 0.00 N ATOM 188 CA GLN A 25 7.795 15.387 5.332 1.00 0.00 C ATOM 189 C GLN A 25 6.543 16.154 4.823 1.00 0.00 C ATOM 190 O GLN A 25 6.572 16.782 3.757 1.00 0.00 O ATOM 191 CB GLN A 25 9.058 16.293 5.441 1.00 0.00 C ATOM 192 CG GLN A 25 9.082 17.344 6.579 1.00 0.00 C ATOM 193 CD GLN A 25 8.131 18.550 6.428 1.00 0.00 C ATOM 194 OE1 GLN A 25 7.069 18.603 7.044 1.00 0.00 O ATOM 195 NE2 GLN A 25 8.486 19.534 5.614 1.00 0.00 N ATOM 0 H GLN A 25 8.772 14.482 3.695 1.00 0.00 H new ATOM 0 HA GLN A 25 7.570 15.027 6.336 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.928 15.647 5.560 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.179 16.819 4.494 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.844 16.838 7.515 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.100 17.723 6.671 1.00 0.00 H new ATOM 0 HE21 GLN A 25 9.369 19.482 5.106 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.876 20.343 5.495 1.00 0.00 H new ATOM 196 N MET A 26 5.461 16.085 5.608 1.00 0.00 N ATOM 197 CA MET A 26 4.185 16.790 5.316 1.00 0.00 C ATOM 198 C MET A 26 3.516 17.220 6.656 1.00 0.00 C ATOM 199 O MET A 26 3.732 16.614 7.714 1.00 0.00 O ATOM 200 CB MET A 26 3.290 15.864 4.437 1.00 0.00 C ATOM 201 CG MET A 26 2.090 16.543 3.754 1.00 0.00 C ATOM 202 SD MET A 26 2.575 18.025 2.829 1.00 0.00 S ATOM 203 CE MET A 26 3.583 17.358 1.487 1.00 0.00 C ATOM 0 H MET A 26 5.435 15.539 6.469 1.00 0.00 H new ATOM 0 HA MET A 26 4.353 17.705 4.747 1.00 0.00 H new ATOM 0 HB2 MET A 26 3.915 15.412 3.666 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.917 15.052 5.061 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.611 15.835 3.077 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.351 16.813 4.508 1.00 0.00 H new ATOM 0 HE1 MET A 26 3.920 18.172 0.846 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.448 16.842 1.904 1.00 0.00 H new ATOM 0 HE3 MET A 26 2.990 16.656 0.901 1.00 0.00 H new ATOM 204 N SER A 27 2.673 18.273 6.596 1.00 0.00 N ATOM 205 CA SER A 27 1.924 18.787 7.778 1.00 0.00 C ATOM 206 C SER A 27 0.806 17.793 8.236 1.00 0.00 C ATOM 207 O SER A 27 1.141 16.849 8.959 1.00 0.00 O ATOM 208 CB SER A 27 1.514 20.264 7.538 1.00 0.00 C ATOM 209 OG SER A 27 0.638 20.413 6.425 1.00 0.00 O ATOM 0 H SER A 27 2.489 18.792 5.737 1.00 0.00 H new ATOM 0 HA SER A 27 2.565 18.825 8.659 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.028 20.653 8.433 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.409 20.864 7.375 1.00 0.00 H new ATOM 0 HG SER A 27 0.407 21.359 6.315 1.00 0.00 H new ATOM 210 N ASP A 28 -0.474 17.963 7.832 1.00 0.00 N ATOM 211 CA ASP A 28 -1.559 16.975 8.113 1.00 0.00 C ATOM 212 C ASP A 28 -2.822 17.338 7.274 1.00 0.00 C ATOM 213 O ASP A 28 -3.767 17.955 7.779 1.00 0.00 O ATOM 214 CB ASP A 28 -1.867 16.727 9.630 1.00 0.00 C ATOM 215 CG ASP A 28 -2.293 17.929 10.498 1.00 0.00 C ATOM 216 OD1 ASP A 28 -1.505 18.890 10.639 1.00 0.00 O ATOM 217 OD2 ASP A 28 -3.416 17.901 11.053 1.00 0.00 O ATOM 0 H ASP A 28 -0.789 18.778 7.307 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.188 16.001 7.793 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -2.656 15.978 9.690 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.977 16.290 10.082 1.00 0.00 H new ATOM 218 N ASP A 29 -2.840 16.932 5.987 1.00 0.00 N ATOM 219 CA ASP A 29 -4.043 17.042 5.111 1.00 0.00 C ATOM 220 C ASP A 29 -3.900 15.963 3.997 1.00 0.00 C ATOM 221 O ASP A 29 -3.460 16.263 2.886 1.00 0.00 O ATOM 222 CB ASP A 29 -4.202 18.497 4.570 1.00 0.00 C ATOM 223 CG ASP A 29 -5.484 18.757 3.765 1.00 0.00 C ATOM 224 OD1 ASP A 29 -5.532 18.391 2.569 1.00 0.00 O ATOM 225 OD2 ASP A 29 -6.449 19.321 4.324 1.00 0.00 O ATOM 0 H ASP A 29 -2.031 16.521 5.521 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.964 16.850 5.661 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.175 19.187 5.414 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.343 18.730 3.941 1.00 0.00 H new ATOM 226 N ILE A 30 -4.244 14.697 4.320 1.00 0.00 N ATOM 227 CA ILE A 30 -4.010 13.532 3.418 1.00 0.00 C ATOM 228 C ILE A 30 -5.264 12.617 3.584 1.00 0.00 C ATOM 229 O ILE A 30 -5.585 12.174 4.692 1.00 0.00 O ATOM 230 CB ILE A 30 -2.651 12.782 3.703 1.00 0.00 C ATOM 231 CG1 ILE A 30 -1.382 13.688 3.595 1.00 0.00 C ATOM 232 CG2 ILE A 30 -2.471 11.559 2.759 1.00 0.00 C ATOM 233 CD1 ILE A 30 -0.094 13.119 4.213 1.00 0.00 C ATOM 0 H ILE A 30 -4.688 14.448 5.204 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.895 13.857 2.384 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.732 12.457 4.740 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.196 13.894 2.541 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.600 14.643 4.073 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.525 11.064 2.981 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.292 10.858 2.911 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.469 11.896 1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.720 13.832 4.079 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.249 12.941 5.277 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.162 12.180 3.721 1.00 0.00 H new ATOM 234 N ASP A 31 -5.934 12.318 2.454 1.00 0.00 N ATOM 235 CA ASP A 31 -7.120 11.418 2.413 1.00 0.00 C ATOM 236 C ASP A 31 -6.965 10.314 1.330 1.00 0.00 C ATOM 237 O ASP A 31 -7.053 9.127 1.658 1.00 0.00 O ATOM 238 CB ASP A 31 -8.413 12.259 2.207 1.00 0.00 C ATOM 239 CG ASP A 31 -9.730 11.495 2.428 1.00 0.00 C ATOM 240 OD1 ASP A 31 -10.155 10.747 1.520 1.00 0.00 O ATOM 241 OD2 ASP A 31 -10.338 11.636 3.511 1.00 0.00 O ATOM 0 H ASP A 31 -5.674 12.690 1.540 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.198 10.900 3.369 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.386 13.110 2.887 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.409 12.660 1.194 1.00 0.00 H new ATOM 242 N ASP A 32 -6.839 10.709 0.046 1.00 0.00 N ATOM 243 CA ASP A 32 -7.184 9.829 -1.102 1.00 0.00 C ATOM 244 C ASP A 32 -5.919 9.041 -1.523 1.00 0.00 C ATOM 245 O ASP A 32 -4.930 9.626 -1.975 1.00 0.00 O ATOM 246 CB ASP A 32 -7.720 10.639 -2.321 1.00 0.00 C ATOM 247 CG ASP A 32 -8.811 11.708 -2.127 1.00 0.00 C ATOM 248 OD1 ASP A 32 -9.615 11.626 -1.174 1.00 0.00 O ATOM 249 OD2 ASP A 32 -8.861 12.650 -2.950 1.00 0.00 O ATOM 0 H ASP A 32 -6.501 11.632 -0.227 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.977 9.151 -0.785 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.864 11.132 -2.782 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.100 9.918 -3.045 1.00 0.00 H new ATOM 250 N ILE A 33 -5.957 7.718 -1.334 1.00 0.00 N ATOM 251 CA ILE A 33 -4.757 6.839 -1.463 1.00 0.00 C ATOM 252 C ILE A 33 -5.016 5.833 -2.618 1.00 0.00 C ATOM 253 O ILE A 33 -6.120 5.303 -2.757 1.00 0.00 O ATOM 254 CB ILE A 33 -4.395 6.247 -0.049 1.00 0.00 C ATOM 255 CG1 ILE A 33 -3.169 6.959 0.598 1.00 0.00 C ATOM 256 CG2 ILE A 33 -4.161 4.718 0.010 1.00 0.00 C ATOM 257 CD1 ILE A 33 -3.296 8.463 0.878 1.00 0.00 C ATOM 0 H ILE A 33 -6.809 7.214 -1.088 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.852 7.370 -1.757 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.303 6.446 0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.946 6.458 1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.309 6.809 -0.054 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.919 4.426 1.032 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.064 4.199 -0.312 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.335 4.451 -0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.373 8.829 1.328 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.479 8.993 -0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.127 8.637 1.562 1.00 0.00 H new ATOM 258 N LYS A 34 -3.976 5.570 -3.428 1.00 0.00 N ATOM 259 CA LYS A 34 -4.157 4.873 -4.725 1.00 0.00 C ATOM 260 C LYS A 34 -2.957 3.950 -5.023 1.00 0.00 C ATOM 261 O LYS A 34 -1.798 4.352 -4.937 1.00 0.00 O ATOM 262 CB LYS A 34 -4.389 5.979 -5.797 1.00 0.00 C ATOM 263 CG LYS A 34 -4.768 5.517 -7.218 1.00 0.00 C ATOM 264 CD LYS A 34 -5.264 6.686 -8.105 1.00 0.00 C ATOM 265 CE LYS A 34 -5.786 6.294 -9.500 1.00 0.00 C ATOM 266 NZ LYS A 34 -7.013 5.471 -9.459 1.00 0.00 N ATOM 0 H LYS A 34 -3.011 5.823 -3.217 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.019 4.205 -4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.177 6.639 -5.435 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.480 6.576 -5.868 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.903 5.049 -7.688 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.546 4.757 -7.155 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.060 7.208 -7.574 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.446 7.395 -8.230 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.984 7.200 -10.073 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.007 5.745 -10.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.310 5.243 -10.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.823 4.591 -8.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.770 6.000 -8.980 1.00 0.00 H new ATOM 267 N TRP A 35 -3.291 2.701 -5.385 1.00 0.00 N ATOM 268 CA TRP A 35 -2.308 1.635 -5.702 1.00 0.00 C ATOM 269 C TRP A 35 -2.793 0.924 -7.003 1.00 0.00 C ATOM 270 O TRP A 35 -3.974 0.601 -7.174 1.00 0.00 O ATOM 271 CB TRP A 35 -2.154 0.668 -4.497 1.00 0.00 C ATOM 272 CG TRP A 35 -1.279 1.222 -3.352 1.00 0.00 C ATOM 273 CD1 TRP A 35 -1.707 1.851 -2.185 1.00 0.00 C ATOM 274 CD2 TRP A 35 0.074 1.142 -3.204 1.00 0.00 C ATOM 275 NE1 TRP A 35 -0.675 2.156 -1.291 1.00 0.00 N ATOM 276 CE2 TRP A 35 0.441 1.765 -1.986 1.00 0.00 C ATOM 277 CE3 TRP A 35 1.006 0.400 -3.924 1.00 0.00 C ATOM 278 CZ2 TRP A 35 1.784 1.739 -1.555 1.00 0.00 C ATOM 279 CZ3 TRP A 35 2.316 0.338 -3.479 1.00 0.00 C ATOM 280 CH2 TRP A 35 2.694 0.993 -2.305 1.00 0.00 C ATOM 0 H TRP A 35 -4.260 2.393 -5.469 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.314 2.045 -5.879 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.143 0.435 -4.103 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -1.722 -0.269 -4.849 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.743 2.083 -1.988 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.737 2.565 -0.359 1.00 0.00 H new ATOM 0 HE3 TRP A 35 0.710 -0.123 -4.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.098 2.279 -0.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 3.049 -0.220 -4.043 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.718 0.920 -1.969 1.00 0.00 H new ATOM 281 N GLU A 36 -1.841 0.749 -7.936 1.00 0.00 N ATOM 282 CA GLU A 36 -2.123 0.608 -9.393 1.00 0.00 C ATOM 283 C GLU A 36 -1.180 -0.475 -9.980 1.00 0.00 C ATOM 284 O GLU A 36 0.029 -0.478 -9.737 1.00 0.00 O ATOM 285 CB GLU A 36 -1.830 1.968 -10.099 1.00 0.00 C ATOM 286 CG GLU A 36 -2.704 3.186 -9.718 1.00 0.00 C ATOM 287 CD GLU A 36 -4.202 3.026 -9.987 1.00 0.00 C ATOM 288 OE1 GLU A 36 -4.938 2.562 -9.090 1.00 0.00 O ATOM 289 OE2 GLU A 36 -4.659 3.386 -11.095 1.00 0.00 O ATOM 0 H GLU A 36 -0.848 0.700 -7.710 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.164 0.324 -9.548 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.790 2.229 -9.903 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.923 1.813 -11.174 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.562 3.396 -8.658 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.344 4.056 -10.267 1.00 0.00 H new ATOM 290 N LYS A 37 -1.749 -1.368 -10.799 1.00 0.00 N ATOM 291 CA LYS A 37 -1.022 -2.520 -11.385 1.00 0.00 C ATOM 292 C LYS A 37 -0.080 -2.086 -12.541 1.00 0.00 C ATOM 293 O LYS A 37 -0.543 -1.470 -13.507 1.00 0.00 O ATOM 294 CB LYS A 37 -2.128 -3.514 -11.843 1.00 0.00 C ATOM 295 CG LYS A 37 -1.633 -4.887 -12.330 1.00 0.00 C ATOM 296 CD LYS A 37 -2.656 -6.044 -12.225 1.00 0.00 C ATOM 297 CE LYS A 37 -3.871 -6.002 -13.173 1.00 0.00 C ATOM 298 NZ LYS A 37 -4.900 -5.018 -12.783 1.00 0.00 N ATOM 0 H LYS A 37 -2.728 -1.319 -11.080 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.354 -2.989 -10.662 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.816 -3.670 -11.012 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.699 -3.048 -12.647 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.324 -4.793 -13.371 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.746 -5.157 -11.757 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.125 -6.980 -12.398 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.028 -6.073 -11.201 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.525 -5.772 -14.181 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.325 -6.992 -13.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.782 -5.215 -13.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.075 -5.085 -11.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.570 -4.060 -13.015 1.00 0.00 H new ATOM 299 N THR A 38 1.223 -2.438 -12.470 1.00 0.00 N ATOM 300 CA THR A 38 2.112 -2.397 -13.672 1.00 0.00 C ATOM 301 C THR A 38 2.374 -3.866 -14.120 1.00 0.00 C ATOM 302 O THR A 38 3.423 -4.458 -13.852 1.00 0.00 O ATOM 303 CB THR A 38 3.384 -1.508 -13.510 1.00 0.00 C ATOM 304 OG1 THR A 38 4.037 -1.720 -12.267 1.00 0.00 O ATOM 305 CG2 THR A 38 3.099 -0.006 -13.645 1.00 0.00 C ATOM 0 H THR A 38 1.684 -2.749 -11.615 1.00 0.00 H new ATOM 0 HA THR A 38 1.604 -1.874 -14.482 1.00 0.00 H new ATOM 0 HB THR A 38 4.032 -1.819 -14.329 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.828 -1.144 -12.211 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.027 0.553 -13.522 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.681 0.198 -14.631 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.387 0.300 -12.879 1.00 0.00 H new ATOM 306 N SER A 39 1.360 -4.408 -14.816 1.00 0.00 N ATOM 307 CA SER A 39 1.386 -5.738 -15.478 1.00 0.00 C ATOM 308 C SER A 39 0.217 -5.794 -16.509 1.00 0.00 C ATOM 309 O SER A 39 0.493 -6.006 -17.697 1.00 0.00 O ATOM 310 CB SER A 39 1.438 -6.960 -14.522 1.00 0.00 C ATOM 311 OG SER A 39 0.281 -7.070 -13.704 1.00 0.00 O ATOM 0 H SER A 39 0.471 -3.924 -14.941 1.00 0.00 H new ATOM 0 HA SER A 39 2.339 -5.832 -15.998 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.549 -7.871 -15.110 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.320 -6.881 -13.887 1.00 0.00 H new ATOM 0 HG SER A 39 0.548 -7.100 -12.762 1.00 0.00 H new ATOM 312 N ASP A 40 -1.059 -5.585 -16.094 1.00 0.00 N ATOM 313 CA ASP A 40 -2.197 -5.396 -17.033 1.00 0.00 C ATOM 314 C ASP A 40 -3.154 -4.253 -16.549 1.00 0.00 C ATOM 315 O ASP A 40 -4.333 -4.496 -16.268 1.00 0.00 O ATOM 316 CB ASP A 40 -2.885 -6.775 -17.271 1.00 0.00 C ATOM 317 CG ASP A 40 -3.835 -6.814 -18.478 1.00 0.00 C ATOM 318 OD1 ASP A 40 -3.351 -6.942 -19.623 1.00 0.00 O ATOM 319 OD2 ASP A 40 -5.066 -6.710 -18.283 1.00 0.00 O ATOM 0 H ASP A 40 -1.327 -5.543 -15.111 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.844 -5.048 -18.004 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.113 -7.533 -17.407 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.444 -7.047 -16.376 1.00 0.00 H new ATOM 320 N LYS A 41 -2.672 -2.991 -16.538 1.00 0.00 N ATOM 321 CA LYS A 41 -3.511 -1.766 -16.472 1.00 0.00 C ATOM 322 C LYS A 41 -3.808 -1.345 -15.007 1.00 0.00 C ATOM 323 O LYS A 41 -4.705 -1.899 -14.364 1.00 0.00 O ATOM 324 CB LYS A 41 -4.785 -1.761 -17.371 1.00 0.00 C ATOM 325 CG LYS A 41 -5.485 -0.386 -17.545 1.00 0.00 C ATOM 326 CD LYS A 41 -4.810 0.581 -18.542 1.00 0.00 C ATOM 327 CE LYS A 41 -5.615 1.885 -18.740 1.00 0.00 C ATOM 328 NZ LYS A 41 -4.959 2.799 -19.689 1.00 0.00 N ATOM 0 H LYS A 41 -1.673 -2.788 -16.575 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.888 -0.994 -16.924 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.512 -2.136 -18.357 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.505 -2.463 -16.952 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.511 -0.559 -17.871 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.537 0.101 -16.571 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.810 0.826 -18.185 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.691 0.082 -19.504 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.614 1.643 -19.102 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.736 2.386 -17.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.456 3.713 -19.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.969 2.944 -19.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.987 2.387 -20.644 1.00 0.00 H new ATOM 329 N LYS A 42 -3.087 -0.295 -14.577 1.00 0.00 N ATOM 330 CA LYS A 42 -3.378 0.604 -13.429 1.00 0.00 C ATOM 331 C LYS A 42 -4.814 0.680 -12.839 1.00 0.00 C ATOM 332 O LYS A 42 -5.593 1.589 -13.137 1.00 0.00 O ATOM 333 CB LYS A 42 -2.777 2.006 -13.756 1.00 0.00 C ATOM 334 CG LYS A 42 -3.265 2.739 -15.033 1.00 0.00 C ATOM 335 CD LYS A 42 -2.578 4.104 -15.243 1.00 0.00 C ATOM 336 CE LYS A 42 -3.006 4.839 -16.526 1.00 0.00 C ATOM 337 NZ LYS A 42 -2.471 4.212 -17.753 1.00 0.00 N ATOM 0 H LYS A 42 -2.224 -0.027 -15.050 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.895 0.120 -12.580 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.972 2.658 -12.904 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.695 1.894 -13.830 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.079 2.107 -15.902 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.343 2.887 -14.971 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.792 4.741 -14.385 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.499 3.954 -15.267 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.094 4.861 -16.580 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.668 5.874 -16.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.791 4.748 -18.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.432 4.214 -17.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.814 3.232 -17.820 1.00 0.00 H new ATOM 338 N LYS A 43 -5.089 -0.296 -11.960 1.00 0.00 N ATOM 339 CA LYS A 43 -6.252 -0.322 -11.047 1.00 0.00 C ATOM 340 C LYS A 43 -6.091 -1.640 -10.245 1.00 0.00 C ATOM 341 O LYS A 43 -6.601 -2.694 -10.645 1.00 0.00 O ATOM 342 CB LYS A 43 -7.651 -0.184 -11.727 1.00 0.00 C ATOM 343 CG LYS A 43 -8.818 -0.044 -10.728 1.00 0.00 C ATOM 344 CD LYS A 43 -10.178 0.313 -11.362 1.00 0.00 C ATOM 345 CE LYS A 43 -10.294 1.788 -11.797 1.00 0.00 C ATOM 346 NZ LYS A 43 -11.608 2.072 -12.407 1.00 0.00 N ATOM 0 H LYS A 43 -4.492 -1.117 -11.859 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.245 0.562 -10.410 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.641 0.686 -12.384 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.826 -1.057 -12.356 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.923 -0.981 -10.182 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.562 0.724 -9.998 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.343 -0.326 -12.230 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.971 0.091 -10.648 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.146 2.436 -10.933 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.503 2.021 -12.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.651 3.072 -12.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.739 1.471 -13.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.361 1.873 -11.718 1.00 0.00 H new ATOM 347 N ILE A 44 -5.437 -1.550 -9.070 1.00 0.00 N ATOM 348 CA ILE A 44 -5.644 -2.523 -7.962 1.00 0.00 C ATOM 349 C ILE A 44 -6.883 -2.004 -7.188 1.00 0.00 C ATOM 350 O ILE A 44 -7.966 -2.566 -7.378 1.00 0.00 O ATOM 351 CB ILE A 44 -4.366 -2.795 -7.093 1.00 0.00 C ATOM 352 CG1 ILE A 44 -3.163 -3.332 -7.907 1.00 0.00 C ATOM 353 CG2 ILE A 44 -4.648 -3.691 -5.858 1.00 0.00 C ATOM 354 CD1 ILE A 44 -3.275 -4.757 -8.479 1.00 0.00 C ATOM 0 H ILE A 44 -4.760 -0.817 -8.857 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.834 -3.527 -8.342 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.079 -1.811 -6.722 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.986 -2.649 -8.737 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.280 -3.293 -7.269 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.724 -3.841 -5.299 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.385 -3.206 -5.218 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.033 -4.656 -6.189 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.364 -5.003 -9.025 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.412 -5.467 -7.663 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.129 -4.812 -9.155 1.00 0.00 H new ATOM 355 N ALA A 45 -6.741 -0.941 -6.360 1.00 0.00 N ATOM 356 CA ALA A 45 -7.894 -0.320 -5.676 1.00 0.00 C ATOM 357 C ALA A 45 -7.462 1.036 -5.063 1.00 0.00 C ATOM 358 O ALA A 45 -6.275 1.391 -4.982 1.00 0.00 O ATOM 359 CB ALA A 45 -8.539 -1.300 -4.670 1.00 0.00 C ATOM 0 H ALA A 45 -5.845 -0.500 -6.153 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.684 -0.099 -6.394 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.385 -0.816 -4.182 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.885 -2.188 -5.198 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.803 -1.588 -3.919 1.00 0.00 H new ATOM 360 N GLN A 46 -8.475 1.831 -4.692 1.00 0.00 N ATOM 361 CA GLN A 46 -8.274 3.257 -4.344 1.00 0.00 C ATOM 362 C GLN A 46 -9.422 3.703 -3.392 1.00 0.00 C ATOM 363 O GLN A 46 -10.604 3.348 -3.516 1.00 0.00 O ATOM 364 CB GLN A 46 -8.278 4.076 -5.672 1.00 0.00 C ATOM 365 CG GLN A 46 -8.237 5.627 -5.611 1.00 0.00 C ATOM 366 CD GLN A 46 -9.504 6.348 -6.116 1.00 0.00 C ATOM 367 OE1 GLN A 46 -9.510 6.963 -7.179 1.00 0.00 O ATOM 368 NE2 GLN A 46 -10.601 6.291 -5.375 1.00 0.00 N ATOM 0 H GLN A 46 -9.443 1.518 -4.623 1.00 0.00 H new ATOM 0 HA GLN A 46 -7.326 3.420 -3.831 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -7.421 3.749 -6.261 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.172 3.794 -6.228 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.057 5.927 -4.579 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -7.386 5.973 -6.197 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.594 5.780 -4.492 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.452 6.758 -5.687 1.00 0.00 H new ATOM 369 N PHE A 47 -8.993 4.578 -2.475 1.00 0.00 N ATOM 370 CA PHE A 47 -9.853 5.285 -1.501 1.00 0.00 C ATOM 371 C PHE A 47 -9.976 6.770 -1.899 1.00 0.00 C ATOM 372 O PHE A 47 -8.975 7.402 -2.261 1.00 0.00 O ATOM 373 CB PHE A 47 -9.163 5.174 -0.107 1.00 0.00 C ATOM 374 CG PHE A 47 -9.604 3.950 0.704 1.00 0.00 C ATOM 375 CD1 PHE A 47 -9.427 2.646 0.224 1.00 0.00 C ATOM 376 CD2 PHE A 47 -10.258 4.153 1.921 1.00 0.00 C ATOM 377 CE1 PHE A 47 -9.945 1.565 0.934 1.00 0.00 C ATOM 378 CE2 PHE A 47 -10.719 3.067 2.660 1.00 0.00 C ATOM 379 CZ PHE A 47 -10.566 1.774 2.166 1.00 0.00 C ATOM 0 H PHE A 47 -8.008 4.826 -2.382 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.851 4.848 -1.477 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.083 5.135 -0.248 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.377 6.075 0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.889 2.478 -0.697 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -10.407 5.157 2.291 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.866 0.566 0.531 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -11.195 3.227 3.616 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.928 0.932 2.737 1.00 0.00 H new ATOM 380 N ARG A 48 -11.197 7.332 -1.752 1.00 0.00 N ATOM 381 CA ARG A 48 -11.392 8.803 -1.801 1.00 0.00 C ATOM 382 C ARG A 48 -12.630 9.314 -0.993 1.00 0.00 C ATOM 383 O ARG A 48 -13.566 8.567 -0.685 1.00 0.00 O ATOM 384 CB ARG A 48 -11.361 9.366 -3.263 1.00 0.00 C ATOM 385 CG ARG A 48 -12.599 9.120 -4.164 1.00 0.00 C ATOM 386 CD ARG A 48 -12.588 10.038 -5.405 1.00 0.00 C ATOM 387 NE ARG A 48 -13.850 9.986 -6.187 1.00 0.00 N ATOM 388 CZ ARG A 48 -14.030 9.284 -7.322 1.00 0.00 C ATOM 389 NH1 ARG A 48 -13.158 8.401 -7.805 1.00 0.00 N ATOM 390 NH2 ARG A 48 -15.150 9.485 -7.995 1.00 0.00 N ATOM 0 H ARG A 48 -12.053 6.799 -1.600 1.00 0.00 H new ATOM 0 HA ARG A 48 -10.526 9.215 -1.283 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.200 10.442 -3.203 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.492 8.941 -3.766 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -12.617 8.077 -4.482 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -13.509 9.294 -3.589 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -12.408 11.065 -5.087 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.757 9.754 -6.051 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.642 10.524 -5.837 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.286 8.221 -7.307 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -13.362 7.905 -8.673 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.840 10.152 -7.650 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -15.324 8.973 -8.860 1.00 0.00 H new ATOM 391 N LYS A 49 -12.627 10.634 -0.721 1.00 0.00 N ATOM 392 CA LYS A 49 -13.774 11.371 -0.119 1.00 0.00 C ATOM 393 C LYS A 49 -14.566 12.124 -1.236 1.00 0.00 C ATOM 394 O LYS A 49 -14.338 13.311 -1.492 1.00 0.00 O ATOM 395 CB LYS A 49 -13.188 12.304 0.981 1.00 0.00 C ATOM 396 CG LYS A 49 -14.196 13.161 1.778 1.00 0.00 C ATOM 397 CD LYS A 49 -13.498 14.091 2.796 1.00 0.00 C ATOM 398 CE LYS A 49 -14.389 15.179 3.422 1.00 0.00 C ATOM 399 NZ LYS A 49 -15.479 14.645 4.262 1.00 0.00 N ATOM 0 H LYS A 49 -11.823 11.232 -0.912 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.499 10.705 0.349 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -12.632 11.688 1.688 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -12.470 12.975 0.510 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.786 13.761 1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -14.890 12.506 2.304 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.086 13.478 3.598 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.657 14.576 2.301 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.768 15.841 4.026 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.820 15.785 2.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.037 15.433 4.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.094 14.036 3.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.075 14.090 5.043 1.00 0.00 H new ATOM 400 N GLU A 50 -15.516 11.409 -1.869 1.00 0.00 N ATOM 401 CA GLU A 50 -16.620 11.998 -2.671 1.00 0.00 C ATOM 402 C GLU A 50 -17.592 10.814 -2.966 1.00 0.00 C ATOM 403 O GLU A 50 -17.536 10.237 -4.056 1.00 0.00 O ATOM 404 CB GLU A 50 -16.153 12.750 -3.964 1.00 0.00 C ATOM 405 CG GLU A 50 -17.237 13.547 -4.724 1.00 0.00 C ATOM 406 CD GLU A 50 -17.800 14.740 -3.941 1.00 0.00 C ATOM 407 OE1 GLU A 50 -17.086 15.756 -3.787 1.00 0.00 O ATOM 408 OE2 GLU A 50 -18.960 14.663 -3.477 1.00 0.00 O ATOM 0 H GLU A 50 -15.544 10.390 -1.841 1.00 0.00 H new ATOM 0 HA GLU A 50 -17.112 12.794 -2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -15.353 13.437 -3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -15.724 12.018 -4.649 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -16.817 13.908 -5.663 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -18.056 12.874 -4.979 1.00 0.00 H new ATOM 409 N LYS A 51 -18.418 10.420 -1.962 1.00 0.00 N ATOM 410 CA LYS A 51 -18.878 9.008 -1.733 1.00 0.00 C ATOM 411 C LYS A 51 -18.607 7.919 -2.810 1.00 0.00 C ATOM 412 O LYS A 51 -19.384 7.674 -3.736 1.00 0.00 O ATOM 413 CB LYS A 51 -20.296 8.872 -1.142 1.00 0.00 C ATOM 414 CG LYS A 51 -21.430 9.690 -1.805 1.00 0.00 C ATOM 415 CD LYS A 51 -22.862 9.291 -1.379 1.00 0.00 C ATOM 416 CE LYS A 51 -23.225 9.457 0.111 1.00 0.00 C ATOM 417 NZ LYS A 51 -23.215 10.858 0.572 1.00 0.00 N ATOM 0 H LYS A 51 -18.793 11.075 -1.276 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.147 8.756 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.576 7.819 -1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.250 9.153 -0.090 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -21.279 10.744 -1.574 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -21.347 9.586 -2.887 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -23.566 9.881 -1.966 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -23.017 8.247 -1.650 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -24.215 9.034 0.284 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.523 8.881 0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.468 10.894 1.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -22.265 11.261 0.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -23.905 11.409 0.023 1.00 0.00 H new ATOM 418 N GLU A 52 -17.409 7.352 -2.643 1.00 0.00 N ATOM 419 CA GLU A 52 -16.775 6.428 -3.612 1.00 0.00 C ATOM 420 C GLU A 52 -15.508 5.836 -2.941 1.00 0.00 C ATOM 421 O GLU A 52 -14.513 6.538 -2.724 1.00 0.00 O ATOM 422 CB GLU A 52 -16.425 7.116 -4.969 1.00 0.00 C ATOM 423 CG GLU A 52 -15.784 6.224 -6.061 1.00 0.00 C ATOM 424 CD GLU A 52 -16.676 5.092 -6.575 1.00 0.00 C ATOM 425 OE1 GLU A 52 -17.533 5.351 -7.449 1.00 0.00 O ATOM 426 OE2 GLU A 52 -16.525 3.944 -6.107 1.00 0.00 O ATOM 0 H GLU A 52 -16.834 7.520 -1.817 1.00 0.00 H new ATOM 0 HA GLU A 52 -17.484 5.639 -3.863 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -17.339 7.547 -5.377 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.746 7.944 -4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -15.500 6.854 -6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -14.866 5.791 -5.663 1.00 0.00 H new ATOM 427 N THR A 53 -15.555 4.524 -2.663 1.00 0.00 N ATOM 428 CA THR A 53 -14.376 3.734 -2.230 1.00 0.00 C ATOM 429 C THR A 53 -14.528 2.359 -2.935 1.00 0.00 C ATOM 430 O THR A 53 -15.439 1.587 -2.610 1.00 0.00 O ATOM 431 CB THR A 53 -14.294 3.647 -0.676 1.00 0.00 C ATOM 432 OG1 THR A 53 -14.025 4.944 -0.147 1.00 0.00 O ATOM 433 CG2 THR A 53 -13.192 2.717 -0.152 1.00 0.00 C ATOM 0 H THR A 53 -16.411 3.973 -2.730 1.00 0.00 H new ATOM 0 HA THR A 53 -13.430 4.195 -2.513 1.00 0.00 H new ATOM 0 HB THR A 53 -15.255 3.243 -0.356 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.991 5.595 -0.879 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.205 2.715 0.938 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.365 1.705 -0.519 1.00 0.00 H new ATOM 0 HG23 THR A 53 -12.222 3.069 -0.503 1.00 0.00 H new ATOM 434 N PHE A 54 -13.630 2.072 -3.896 1.00 0.00 N ATOM 435 CA PHE A 54 -13.699 0.830 -4.719 1.00 0.00 C ATOM 436 C PHE A 54 -12.546 -0.124 -4.321 1.00 0.00 C ATOM 437 O PHE A 54 -11.374 0.269 -4.337 1.00 0.00 O ATOM 438 CB PHE A 54 -13.772 1.132 -6.242 1.00 0.00 C ATOM 439 CG PHE A 54 -12.663 1.975 -6.901 1.00 0.00 C ATOM 440 CD1 PHE A 54 -11.493 1.362 -7.365 1.00 0.00 C ATOM 441 CD2 PHE A 54 -12.850 3.345 -7.116 1.00 0.00 C ATOM 442 CE1 PHE A 54 -10.537 2.105 -8.048 1.00 0.00 C ATOM 443 CE2 PHE A 54 -11.899 4.082 -7.822 1.00 0.00 C ATOM 444 CZ PHE A 54 -10.754 3.457 -8.303 1.00 0.00 C ATOM 0 H PHE A 54 -12.844 2.679 -4.129 1.00 0.00 H new ATOM 0 HA PHE A 54 -14.634 0.313 -4.504 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -13.809 0.176 -6.764 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -14.721 1.635 -6.430 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -11.333 0.308 -7.192 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.734 3.834 -6.734 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -9.625 1.633 -8.381 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -12.052 5.137 -7.995 1.00 0.00 H new ATOM 0 HZ PHE A 54 -10.032 4.021 -8.875 1.00 0.00 H new ATOM 445 N LYS A 55 -12.907 -1.374 -3.955 1.00 0.00 N ATOM 446 CA LYS A 55 -11.942 -2.363 -3.410 1.00 0.00 C ATOM 447 C LYS A 55 -12.307 -3.827 -3.812 1.00 0.00 C ATOM 448 O LYS A 55 -13.465 -4.248 -3.740 1.00 0.00 O ATOM 449 CB LYS A 55 -11.804 -2.159 -1.872 1.00 0.00 C ATOM 450 CG LYS A 55 -10.785 -3.057 -1.135 1.00 0.00 C ATOM 451 CD LYS A 55 -9.346 -2.985 -1.679 1.00 0.00 C ATOM 452 CE LYS A 55 -8.401 -3.982 -1.006 1.00 0.00 C ATOM 453 NZ LYS A 55 -7.106 -4.040 -1.697 1.00 0.00 N ATOM 0 H LYS A 55 -13.862 -1.725 -4.026 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.963 -2.190 -3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.532 -1.119 -1.691 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.783 -2.316 -1.420 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.774 -2.780 -0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.127 -4.090 -1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.360 -3.174 -2.752 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.960 -1.975 -1.538 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.248 -3.696 0.035 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.857 -4.972 -1.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.341 -4.109 -0.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.081 -4.873 -2.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.977 -3.179 -2.266 1.00 0.00 H new ATOM 454 N GLU A 56 -11.261 -4.593 -4.187 1.00 0.00 N ATOM 455 CA GLU A 56 -11.331 -6.062 -4.414 1.00 0.00 C ATOM 456 C GLU A 56 -10.194 -6.738 -3.588 1.00 0.00 C ATOM 457 O GLU A 56 -9.025 -6.335 -3.645 1.00 0.00 O ATOM 458 CB GLU A 56 -11.195 -6.408 -5.923 1.00 0.00 C ATOM 459 CG GLU A 56 -12.412 -6.024 -6.794 1.00 0.00 C ATOM 460 CD GLU A 56 -12.235 -6.436 -8.255 1.00 0.00 C ATOM 461 OE1 GLU A 56 -11.683 -5.642 -9.048 1.00 0.00 O ATOM 462 OE2 GLU A 56 -12.644 -7.562 -8.616 1.00 0.00 O ATOM 0 H GLU A 56 -10.329 -4.209 -4.344 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.303 -6.434 -4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.312 -5.905 -6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.021 -7.480 -6.020 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.307 -6.498 -6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.569 -4.947 -6.739 1.00 0.00 H new ATOM 463 N LYS A 57 -10.567 -7.771 -2.811 1.00 0.00 N ATOM 464 CA LYS A 57 -9.726 -8.320 -1.707 1.00 0.00 C ATOM 465 C LYS A 57 -9.218 -9.755 -2.048 1.00 0.00 C ATOM 466 O LYS A 57 -9.952 -10.563 -2.624 1.00 0.00 O ATOM 467 CB LYS A 57 -10.599 -8.353 -0.415 1.00 0.00 C ATOM 468 CG LYS A 57 -11.054 -6.975 0.138 1.00 0.00 C ATOM 469 CD LYS A 57 -12.221 -7.013 1.144 1.00 0.00 C ATOM 470 CE LYS A 57 -11.923 -7.742 2.465 1.00 0.00 C ATOM 471 NZ LYS A 57 -13.096 -7.738 3.359 1.00 0.00 N ATOM 0 H LYS A 57 -11.458 -8.255 -2.923 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.849 -7.689 -1.564 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.487 -8.952 -0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.038 -8.867 0.365 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.200 -6.496 0.617 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.343 -6.344 -0.702 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.517 -5.989 1.371 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.075 -7.493 0.667 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.627 -8.770 2.256 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.081 -7.263 2.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.862 -8.237 4.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.363 -6.757 3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.891 -8.217 2.890 1.00 0.00 H new ATOM 472 N ASP A 58 -7.976 -10.088 -1.626 1.00 0.00 N ATOM 473 CA ASP A 58 -7.457 -11.483 -1.623 1.00 0.00 C ATOM 474 C ASP A 58 -7.612 -11.983 -0.153 1.00 0.00 C ATOM 475 O ASP A 58 -8.717 -12.236 0.333 1.00 0.00 O ATOM 476 CB ASP A 58 -6.007 -11.507 -2.234 1.00 0.00 C ATOM 477 CG ASP A 58 -5.938 -11.621 -3.762 1.00 0.00 C ATOM 478 OD1 ASP A 58 -6.003 -10.577 -4.451 1.00 0.00 O ATOM 479 OD2 ASP A 58 -5.822 -12.752 -4.278 1.00 0.00 O ATOM 0 H ASP A 58 -7.305 -9.403 -1.279 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.004 -12.178 -2.260 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.488 -10.597 -1.931 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.462 -12.345 -1.799 1.00 0.00 H new ATOM 480 N THR A 59 -6.481 -12.009 0.546 1.00 0.00 N ATOM 481 CA THR A 59 -6.386 -11.630 1.978 1.00 0.00 C ATOM 482 C THR A 59 -5.980 -10.124 2.139 1.00 0.00 C ATOM 483 O THR A 59 -5.384 -9.766 3.160 1.00 0.00 O ATOM 484 CB THR A 59 -5.426 -12.643 2.669 1.00 0.00 C ATOM 485 OG1 THR A 59 -4.206 -12.788 1.932 1.00 0.00 O ATOM 486 CG2 THR A 59 -6.028 -14.043 2.885 1.00 0.00 C ATOM 0 H THR A 59 -5.589 -12.294 0.143 1.00 0.00 H new ATOM 0 HA THR A 59 -7.353 -11.695 2.477 1.00 0.00 H new ATOM 0 HB THR A 59 -5.239 -12.210 3.652 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.777 -13.635 2.174 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.293 -14.684 3.371 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.914 -13.965 3.515 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.304 -14.473 1.922 1.00 0.00 H new ATOM 487 N TYR A 60 -6.309 -9.234 1.161 1.00 0.00 N ATOM 488 CA TYR A 60 -5.603 -7.939 0.993 1.00 0.00 C ATOM 489 C TYR A 60 -6.539 -6.705 1.133 1.00 0.00 C ATOM 490 O TYR A 60 -7.712 -6.744 0.759 1.00 0.00 O ATOM 491 CB TYR A 60 -4.576 -8.036 -0.173 1.00 0.00 C ATOM 492 CG TYR A 60 -4.799 -7.981 -1.683 1.00 0.00 C ATOM 493 CD1 TYR A 60 -5.670 -7.076 -2.282 1.00 0.00 C ATOM 494 CD2 TYR A 60 -3.809 -8.593 -2.467 1.00 0.00 C ATOM 495 CE1 TYR A 60 -5.518 -6.741 -3.626 1.00 0.00 C ATOM 496 CE2 TYR A 60 -3.660 -8.273 -3.805 1.00 0.00 C ATOM 497 CZ TYR A 60 -4.514 -7.342 -4.391 1.00 0.00 C ATOM 498 OH TYR A 60 -4.326 -6.975 -5.698 1.00 0.00 O ATOM 0 H TYR A 60 -7.054 -9.392 0.483 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.954 -7.720 1.841 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.858 -7.241 0.027 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.060 -8.982 -0.006 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.466 -6.632 -1.703 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.153 -9.325 -2.019 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.178 -6.015 -4.078 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.885 -8.743 -4.392 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.586 -7.492 -6.080 1.00 0.00 H new ATOM 499 N LYS A 61 -6.022 -5.642 1.788 1.00 0.00 N ATOM 500 CA LYS A 61 -6.845 -4.673 2.563 1.00 0.00 C ATOM 501 C LYS A 61 -6.082 -3.321 2.562 1.00 0.00 C ATOM 502 O LYS A 61 -4.926 -3.240 2.991 1.00 0.00 O ATOM 503 CB LYS A 61 -7.099 -5.233 3.991 1.00 0.00 C ATOM 504 CG LYS A 61 -7.919 -4.312 4.925 1.00 0.00 C ATOM 505 CD LYS A 61 -8.297 -4.972 6.263 1.00 0.00 C ATOM 506 CE LYS A 61 -9.036 -3.999 7.197 1.00 0.00 C ATOM 507 NZ LYS A 61 -9.475 -4.668 8.432 1.00 0.00 N ATOM 0 H LYS A 61 -5.025 -5.427 1.797 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.828 -4.517 2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.617 -6.188 3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.136 -5.435 4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.345 -3.407 5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.830 -4.005 4.411 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.927 -5.841 6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.395 -5.334 6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.381 -3.164 7.447 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.901 -3.582 6.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.970 -3.985 9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.119 -5.449 8.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.647 -5.044 8.936 1.00 0.00 H new ATOM 508 N LEU A 62 -6.744 -2.262 2.061 1.00 0.00 N ATOM 509 CA LEU A 62 -6.036 -1.071 1.517 1.00 0.00 C ATOM 510 C LEU A 62 -6.412 0.186 2.338 1.00 0.00 C ATOM 511 O LEU A 62 -7.326 0.906 1.942 1.00 0.00 O ATOM 512 CB LEU A 62 -6.353 -1.070 -0.022 1.00 0.00 C ATOM 513 CG LEU A 62 -5.645 -0.142 -1.057 1.00 0.00 C ATOM 514 CD1 LEU A 62 -4.183 0.153 -0.706 1.00 0.00 C ATOM 515 CD2 LEU A 62 -5.739 -0.748 -2.458 1.00 0.00 C ATOM 0 H LEU A 62 -7.761 -2.199 2.018 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.951 -1.086 1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.190 -2.091 -0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.420 -0.869 -0.113 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.170 0.813 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.750 0.803 -1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.134 0.647 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.623 -0.781 -0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.242 -0.092 -3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.256 -1.725 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.787 -0.860 -2.737 1.00 0.00 H new ATOM 516 N PHE A 63 -5.733 0.467 3.483 1.00 0.00 N ATOM 517 CA PHE A 63 -6.141 1.571 4.398 1.00 0.00 C ATOM 518 C PHE A 63 -5.997 2.994 3.777 1.00 0.00 C ATOM 519 O PHE A 63 -5.184 3.226 2.874 1.00 0.00 O ATOM 520 CB PHE A 63 -5.314 1.480 5.713 1.00 0.00 C ATOM 521 CG PHE A 63 -5.895 2.199 6.944 1.00 0.00 C ATOM 522 CD1 PHE A 63 -7.102 1.779 7.512 1.00 0.00 C ATOM 523 CD2 PHE A 63 -5.233 3.308 7.484 1.00 0.00 C ATOM 524 CE1 PHE A 63 -7.648 2.466 8.595 1.00 0.00 C ATOM 525 CE2 PHE A 63 -5.777 3.992 8.568 1.00 0.00 C ATOM 526 CZ PHE A 63 -6.984 3.571 9.123 1.00 0.00 C ATOM 0 H PHE A 63 -4.909 -0.049 3.793 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.204 1.436 4.596 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.186 0.427 5.963 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.321 1.885 5.519 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.614 0.918 7.109 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.296 3.635 7.058 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.585 2.142 9.024 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.264 4.849 8.979 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.405 4.102 9.964 1.00 0.00 H new ATOM 527 N LYS A 64 -6.792 3.936 4.308 1.00 0.00 N ATOM 528 CA LYS A 64 -6.819 5.346 3.842 1.00 0.00 C ATOM 529 C LYS A 64 -5.547 6.218 4.047 1.00 0.00 C ATOM 530 O LYS A 64 -5.223 7.001 3.152 1.00 0.00 O ATOM 531 CB LYS A 64 -8.114 6.036 4.358 1.00 0.00 C ATOM 532 CG LYS A 64 -8.195 6.324 5.879 1.00 0.00 C ATOM 533 CD LYS A 64 -9.595 6.766 6.337 1.00 0.00 C ATOM 534 CE LYS A 64 -9.628 7.122 7.833 1.00 0.00 C ATOM 535 NZ LYS A 64 -10.992 7.449 8.279 1.00 0.00 N ATOM 0 H LYS A 64 -7.438 3.749 5.075 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.824 5.269 2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.230 6.981 3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.964 5.410 4.085 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.906 5.428 6.428 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.474 7.101 6.134 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.912 7.630 5.752 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.310 5.967 6.139 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.244 6.285 8.416 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.969 7.970 8.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.979 7.684 9.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.348 8.263 7.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.614 6.631 8.122 1.00 0.00 H new ATOM 536 N ASN A 65 -4.814 6.082 5.173 1.00 0.00 N ATOM 537 CA ASN A 65 -3.515 6.733 5.406 1.00 0.00 C ATOM 538 C ASN A 65 -2.408 6.365 4.364 1.00 0.00 C ATOM 539 O ASN A 65 -1.680 7.247 3.900 1.00 0.00 O ATOM 540 CB ASN A 65 -3.078 6.485 6.879 1.00 0.00 C ATOM 541 CG ASN A 65 -1.885 7.333 7.366 1.00 0.00 C ATOM 542 OD1 ASN A 65 -0.725 6.952 7.206 1.00 0.00 O ATOM 543 ND2 ASN A 65 -2.136 8.486 7.962 1.00 0.00 N ATOM 0 H ASN A 65 -5.118 5.505 5.957 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.650 7.803 5.250 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.930 6.679 7.531 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.823 5.431 6.992 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.366 9.067 8.293 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.100 8.794 8.091 1.00 0.00 H new ATOM 544 N GLY A 66 -2.321 5.069 4.022 1.00 0.00 N ATOM 545 CA GLY A 66 -1.447 4.565 2.940 1.00 0.00 C ATOM 546 C GLY A 66 -0.909 3.179 3.281 1.00 0.00 C ATOM 547 O GLY A 66 0.264 3.086 3.642 1.00 0.00 O ATOM 0 H GLY A 66 -2.855 4.335 4.488 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.005 4.524 2.005 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.617 5.255 2.786 1.00 0.00 H new ATOM 548 N THR A 67 -1.750 2.122 3.204 1.00 0.00 N ATOM 549 CA THR A 67 -1.346 0.776 3.692 1.00 0.00 C ATOM 550 C THR A 67 -2.010 -0.336 2.828 1.00 0.00 C ATOM 551 O THR A 67 -3.142 -0.714 3.128 1.00 0.00 O ATOM 552 CB THR A 67 -1.671 0.638 5.209 1.00 0.00 C ATOM 553 OG1 THR A 67 -1.054 1.659 5.990 1.00 0.00 O ATOM 554 CG2 THR A 67 -1.283 -0.699 5.816 1.00 0.00 C ATOM 0 H THR A 67 -2.693 2.168 2.818 1.00 0.00 H new ATOM 0 HA THR A 67 -0.268 0.655 3.584 1.00 0.00 H new ATOM 0 HB THR A 67 -2.757 0.730 5.241 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.286 1.534 6.934 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.545 -0.708 6.874 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.816 -1.500 5.303 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.209 -0.850 5.707 1.00 0.00 H new ATOM 555 N LEU A 68 -1.297 -0.942 1.851 1.00 0.00 N ATOM 556 CA LEU A 68 -1.802 -2.176 1.162 1.00 0.00 C ATOM 557 C LEU A 68 -1.250 -3.470 1.846 1.00 0.00 C ATOM 558 O LEU A 68 -0.271 -4.076 1.404 1.00 0.00 O ATOM 559 CB LEU A 68 -1.617 -2.124 -0.390 1.00 0.00 C ATOM 560 CG LEU A 68 -2.689 -2.853 -1.244 1.00 0.00 C ATOM 561 CD1 LEU A 68 -2.585 -2.450 -2.726 1.00 0.00 C ATOM 562 CD2 LEU A 68 -2.573 -4.363 -1.137 1.00 0.00 C ATOM 0 H LEU A 68 -0.390 -0.614 1.520 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.884 -2.214 1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.593 -1.078 -0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.643 -2.549 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.657 -2.548 -0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.348 -2.976 -3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.735 -1.375 -2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.598 -2.714 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.343 -4.831 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.589 -4.678 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.704 -4.665 -0.098 1.00 0.00 H new ATOM 563 N LYS A 69 -1.970 -3.906 2.897 1.00 0.00 N ATOM 564 CA LYS A 69 -1.790 -5.223 3.582 1.00 0.00 C ATOM 565 C LYS A 69 -2.084 -6.404 2.617 1.00 0.00 C ATOM 566 O LYS A 69 -3.054 -6.307 1.876 1.00 0.00 O ATOM 567 CB LYS A 69 -2.780 -5.331 4.784 1.00 0.00 C ATOM 568 CG LYS A 69 -2.804 -4.143 5.778 1.00 0.00 C ATOM 569 CD LYS A 69 -3.852 -4.219 6.906 1.00 0.00 C ATOM 570 CE LYS A 69 -3.916 -2.943 7.769 1.00 0.00 C ATOM 571 NZ LYS A 69 -2.757 -2.796 8.673 1.00 0.00 N ATOM 0 H LYS A 69 -2.715 -3.346 3.312 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.756 -5.279 3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.786 -5.460 4.385 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.540 -6.236 5.342 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.817 -4.057 6.233 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.975 -3.227 5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.833 -4.402 6.468 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.624 -5.071 7.547 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.972 -2.072 7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.831 -2.957 8.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.857 -1.921 9.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.714 -3.611 9.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.882 -2.753 8.112 1.00 0.00 H new ATOM 572 N ILE A 70 -1.280 -7.483 2.618 1.00 0.00 N ATOM 573 CA ILE A 70 -1.531 -8.701 1.784 1.00 0.00 C ATOM 574 C ILE A 70 -1.273 -9.891 2.750 1.00 0.00 C ATOM 575 O ILE A 70 -0.114 -10.094 3.131 1.00 0.00 O ATOM 576 CB ILE A 70 -0.661 -8.786 0.467 1.00 0.00 C ATOM 577 CG1 ILE A 70 -0.724 -7.570 -0.503 1.00 0.00 C ATOM 578 CG2 ILE A 70 -0.939 -10.106 -0.293 1.00 0.00 C ATOM 579 CD1 ILE A 70 0.448 -7.469 -1.506 1.00 0.00 C ATOM 0 H ILE A 70 -0.438 -7.548 3.190 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.546 -8.694 1.387 1.00 0.00 H new ATOM 0 HB ILE A 70 0.363 -8.763 0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.658 -7.620 -1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.756 -6.655 0.088 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.329 -10.142 -1.196 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.691 -10.953 0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.993 -10.154 -0.566 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.313 -6.590 -2.137 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.388 -7.383 -0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.471 -8.363 -2.129 1.00 0.00 H new ATOM 580 N LYS A 71 -2.311 -10.651 3.175 1.00 0.00 N ATOM 581 CA LYS A 71 -2.181 -11.455 4.435 1.00 0.00 C ATOM 582 C LYS A 71 -2.095 -12.975 4.165 1.00 0.00 C ATOM 583 O LYS A 71 -3.081 -13.689 4.358 1.00 0.00 O ATOM 584 CB LYS A 71 -3.286 -11.081 5.463 1.00 0.00 C ATOM 585 CG LYS A 71 -3.142 -9.657 6.041 1.00 0.00 C ATOM 586 CD LYS A 71 -4.057 -9.396 7.250 1.00 0.00 C ATOM 587 CE LYS A 71 -3.700 -8.109 8.019 1.00 0.00 C ATOM 588 NZ LYS A 71 -2.451 -8.241 8.797 1.00 0.00 N ATOM 0 H LYS A 71 -3.209 -10.731 2.698 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.227 -11.189 4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.261 -11.172 4.984 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.265 -11.800 6.282 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.105 -9.496 6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.367 -8.931 5.260 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.090 -9.332 6.908 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.999 -10.245 7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.599 -7.285 7.313 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.518 -7.854 8.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.283 -7.367 9.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.535 -9.042 9.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.654 -8.407 8.149 1.00 0.00 H new ATOM 589 N HIS A 72 -0.897 -13.440 3.742 1.00 0.00 N ATOM 590 CA HIS A 72 -0.627 -14.796 3.177 1.00 0.00 C ATOM 591 C HIS A 72 -0.359 -14.563 1.657 1.00 0.00 C ATOM 592 O HIS A 72 -1.309 -14.429 0.884 1.00 0.00 O ATOM 593 CB HIS A 72 -1.653 -15.933 3.495 1.00 0.00 C ATOM 594 CG HIS A 72 -1.244 -17.377 3.225 1.00 0.00 C ATOM 595 ND1 HIS A 72 -0.715 -18.230 4.188 1.00 0.00 N ATOM 596 CD2 HIS A 72 -1.572 -18.099 2.064 1.00 0.00 C ATOM 597 CE1 HIS A 72 -0.777 -19.419 3.511 1.00 0.00 C ATOM 598 NE2 HIS A 72 -1.264 -19.439 2.230 1.00 0.00 N ATOM 0 H HIS A 72 -0.056 -12.865 3.783 1.00 0.00 H new ATOM 0 HA HIS A 72 0.236 -15.225 3.686 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.918 -15.855 4.549 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.559 -15.732 2.923 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.002 -17.670 1.171 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -0.445 -20.332 3.982 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.370 -20.220 1.582 1.00 0.00 H new ATOM 599 N LEU A 73 0.931 -14.452 1.268 1.00 0.00 N ATOM 600 CA LEU A 73 1.373 -14.009 -0.084 1.00 0.00 C ATOM 601 C LEU A 73 2.102 -15.175 -0.838 1.00 0.00 C ATOM 602 O LEU A 73 3.319 -15.276 -0.999 1.00 0.00 O ATOM 603 CB LEU A 73 2.034 -12.593 -0.011 1.00 0.00 C ATOM 604 CG LEU A 73 3.568 -12.356 -0.001 1.00 0.00 C ATOM 605 CD1 LEU A 73 4.389 -13.278 0.921 1.00 0.00 C ATOM 606 CD2 LEU A 73 4.145 -12.288 -1.421 1.00 0.00 C ATOM 0 H LEU A 73 1.710 -14.670 1.890 1.00 0.00 H new ATOM 0 HA LEU A 73 0.536 -13.817 -0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.643 -12.030 -0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.646 -12.121 0.892 1.00 0.00 H new ATOM 0 HG LEU A 73 3.678 -11.375 0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.446 -13.021 0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.057 -13.151 1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.246 -14.316 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.221 -12.121 -1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.948 -13.227 -1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.677 -11.468 -1.965 1.00 0.00 H new ATOM 607 N LYS A 74 1.246 -16.057 -1.322 1.00 0.00 N ATOM 608 CA LYS A 74 1.524 -16.981 -2.459 1.00 0.00 C ATOM 609 C LYS A 74 1.474 -16.216 -3.823 1.00 0.00 C ATOM 610 O LYS A 74 1.192 -15.015 -3.880 1.00 0.00 O ATOM 611 CB LYS A 74 0.487 -18.144 -2.449 1.00 0.00 C ATOM 612 CG LYS A 74 0.377 -18.998 -1.160 1.00 0.00 C ATOM 613 CD LYS A 74 -0.547 -20.223 -1.292 1.00 0.00 C ATOM 614 CE LYS A 74 -2.041 -19.871 -1.434 1.00 0.00 C ATOM 615 NZ LYS A 74 -2.878 -21.080 -1.523 1.00 0.00 N ATOM 0 H LYS A 74 0.307 -16.171 -0.940 1.00 0.00 H new ATOM 0 HA LYS A 74 2.527 -17.392 -2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.496 -17.719 -2.655 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.725 -18.813 -3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.373 -19.337 -0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.012 -18.367 -0.350 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.238 -20.806 -2.159 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.416 -20.860 -0.417 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.357 -19.272 -0.580 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.188 -19.260 -2.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.876 -20.805 -1.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.593 -21.639 -2.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.756 -21.651 -0.662 1.00 0.00 H new ATOM 616 N THR A 75 1.759 -16.920 -4.936 1.00 0.00 N ATOM 617 CA THR A 75 1.909 -16.305 -6.279 1.00 0.00 C ATOM 618 C THR A 75 0.653 -15.565 -6.825 1.00 0.00 C ATOM 619 O THR A 75 0.732 -14.400 -7.229 1.00 0.00 O ATOM 620 CB THR A 75 2.519 -17.320 -7.301 1.00 0.00 C ATOM 621 OG1 THR A 75 3.640 -18.009 -6.750 1.00 0.00 O ATOM 622 CG2 THR A 75 2.996 -16.682 -8.619 1.00 0.00 C ATOM 0 H THR A 75 1.893 -17.931 -4.934 1.00 0.00 H new ATOM 0 HA THR A 75 2.624 -15.494 -6.142 1.00 0.00 H new ATOM 0 HB THR A 75 1.694 -17.999 -7.516 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.997 -18.636 -7.413 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.405 -17.455 -9.270 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.154 -16.198 -9.114 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.767 -15.941 -8.407 1.00 0.00 H new ATOM 623 N ASP A 76 -0.488 -16.260 -6.782 1.00 0.00 N ATOM 624 CA ASP A 76 -1.828 -15.670 -7.088 1.00 0.00 C ATOM 625 C ASP A 76 -2.411 -14.678 -6.024 1.00 0.00 C ATOM 626 O ASP A 76 -3.263 -13.859 -6.384 1.00 0.00 O ATOM 627 CB ASP A 76 -2.857 -16.796 -7.387 1.00 0.00 C ATOM 628 CG ASP A 76 -2.563 -17.657 -8.627 1.00 0.00 C ATOM 629 OD1 ASP A 76 -2.939 -17.245 -9.748 1.00 0.00 O ATOM 630 OD2 ASP A 76 -1.958 -18.743 -8.481 1.00 0.00 O ATOM 0 H ASP A 76 -0.526 -17.249 -6.536 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.652 -15.051 -7.968 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.914 -17.451 -6.518 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.840 -16.341 -7.508 1.00 0.00 H new ATOM 631 N ASP A 77 -1.944 -14.707 -4.761 1.00 0.00 N ATOM 632 CA ASP A 77 -2.215 -13.633 -3.760 1.00 0.00 C ATOM 633 C ASP A 77 -1.555 -12.245 -4.052 1.00 0.00 C ATOM 634 O ASP A 77 -2.003 -11.275 -3.433 1.00 0.00 O ATOM 635 CB ASP A 77 -1.817 -14.157 -2.345 1.00 0.00 C ATOM 636 CG ASP A 77 -2.796 -15.170 -1.732 1.00 0.00 C ATOM 637 OD1 ASP A 77 -3.882 -14.757 -1.270 1.00 0.00 O ATOM 638 OD2 ASP A 77 -2.475 -16.376 -1.695 1.00 0.00 O ATOM 0 H ASP A 77 -1.370 -15.468 -4.398 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.283 -13.424 -3.822 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -0.832 -14.618 -2.408 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.728 -13.306 -1.670 1.00 0.00 H new ATOM 639 N GLN A 78 -0.532 -12.117 -4.938 1.00 0.00 N ATOM 640 CA GLN A 78 0.277 -10.859 -5.049 1.00 0.00 C ATOM 641 C GLN A 78 0.545 -10.358 -6.504 1.00 0.00 C ATOM 642 O GLN A 78 0.305 -11.069 -7.487 1.00 0.00 O ATOM 643 CB GLN A 78 1.573 -11.066 -4.223 1.00 0.00 C ATOM 644 CG GLN A 78 2.484 -12.231 -4.677 1.00 0.00 C ATOM 645 CD GLN A 78 3.717 -11.821 -5.468 1.00 0.00 C ATOM 646 OE1 GLN A 78 3.663 -11.577 -6.676 1.00 0.00 O ATOM 647 NE2 GLN A 78 4.857 -11.773 -4.808 1.00 0.00 N ATOM 0 H GLN A 78 -0.245 -12.855 -5.581 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.312 -10.038 -4.640 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.153 -10.143 -4.255 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.295 -11.232 -3.182 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.806 -12.784 -3.795 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.894 -12.917 -5.285 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.877 -11.979 -3.809 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.719 -11.530 -5.296 1.00 0.00 H new ATOM 648 N ASP A 79 1.037 -9.099 -6.616 1.00 0.00 N ATOM 649 CA ASP A 79 1.184 -8.387 -7.918 1.00 0.00 C ATOM 650 C ASP A 79 2.303 -7.291 -7.886 1.00 0.00 C ATOM 651 O ASP A 79 2.692 -6.792 -6.829 1.00 0.00 O ATOM 652 CB ASP A 79 -0.163 -7.688 -8.273 1.00 0.00 C ATOM 653 CG ASP A 79 -0.581 -7.876 -9.736 1.00 0.00 C ATOM 654 OD1 ASP A 79 0.021 -7.234 -10.621 1.00 0.00 O ATOM 655 OD2 ASP A 79 -1.500 -8.682 -10.007 1.00 0.00 O ATOM 0 H ASP A 79 1.342 -8.548 -5.814 1.00 0.00 H new ATOM 0 HA ASP A 79 1.461 -9.135 -8.661 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.948 -8.079 -7.626 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.077 -6.622 -8.062 1.00 0.00 H new ATOM 656 N ILE A 80 2.701 -6.807 -9.078 1.00 0.00 N ATOM 657 CA ILE A 80 3.558 -5.591 -9.236 1.00 0.00 C ATOM 658 C ILE A 80 2.666 -4.302 -9.107 1.00 0.00 C ATOM 659 O ILE A 80 1.601 -4.215 -9.725 1.00 0.00 O ATOM 660 CB ILE A 80 4.391 -5.690 -10.564 1.00 0.00 C ATOM 661 CG1 ILE A 80 5.358 -6.913 -10.558 1.00 0.00 C ATOM 662 CG2 ILE A 80 5.213 -4.405 -10.838 1.00 0.00 C ATOM 663 CD1 ILE A 80 6.103 -7.238 -11.860 1.00 0.00 C ATOM 0 H ILE A 80 2.444 -7.240 -9.965 1.00 0.00 H new ATOM 0 HA ILE A 80 4.297 -5.523 -8.438 1.00 0.00 H new ATOM 0 HB ILE A 80 3.657 -5.817 -11.360 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.101 -6.749 -9.778 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.783 -7.794 -10.271 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.772 -4.522 -11.767 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.538 -3.553 -10.925 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.908 -4.235 -10.015 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.738 -8.111 -11.708 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.381 -7.447 -12.650 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.720 -6.387 -12.149 1.00 0.00 H new ATOM 664 N TYR A 81 3.129 -3.320 -8.302 1.00 0.00 N ATOM 665 CA TYR A 81 2.325 -2.114 -7.920 1.00 0.00 C ATOM 666 C TYR A 81 3.007 -0.751 -8.311 1.00 0.00 C ATOM 667 O TYR A 81 4.159 -0.688 -8.747 1.00 0.00 O ATOM 668 CB TYR A 81 2.061 -2.165 -6.378 1.00 0.00 C ATOM 669 CG TYR A 81 1.053 -3.151 -5.748 1.00 0.00 C ATOM 670 CD1 TYR A 81 0.175 -3.944 -6.495 1.00 0.00 C ATOM 671 CD2 TYR A 81 1.022 -3.262 -4.347 1.00 0.00 C ATOM 672 CE1 TYR A 81 -0.595 -4.925 -5.880 1.00 0.00 C ATOM 673 CE2 TYR A 81 0.257 -4.247 -3.739 1.00 0.00 C ATOM 674 CZ TYR A 81 -0.550 -5.084 -4.505 1.00 0.00 C ATOM 675 OH TYR A 81 -1.336 -6.030 -3.904 1.00 0.00 O ATOM 0 H TYR A 81 4.064 -3.331 -7.895 1.00 0.00 H new ATOM 0 HA TYR A 81 1.391 -2.148 -8.481 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.023 -2.353 -5.901 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.748 -1.164 -6.080 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.094 -3.792 -7.561 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.596 -2.577 -3.741 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.230 -5.564 -6.476 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.288 -4.365 -2.666 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.125 -6.201 -4.460 1.00 0.00 H new ATOM 676 N LYS A 82 2.271 0.367 -8.122 1.00 0.00 N ATOM 677 CA LYS A 82 2.846 1.737 -8.014 1.00 0.00 C ATOM 678 C LYS A 82 1.849 2.656 -7.240 1.00 0.00 C ATOM 679 O LYS A 82 0.639 2.619 -7.484 1.00 0.00 O ATOM 680 CB LYS A 82 3.286 2.371 -9.368 1.00 0.00 C ATOM 681 CG LYS A 82 2.197 2.686 -10.425 1.00 0.00 C ATOM 682 CD LYS A 82 2.553 3.850 -11.369 1.00 0.00 C ATOM 683 CE LYS A 82 3.757 3.593 -12.293 1.00 0.00 C ATOM 684 NZ LYS A 82 4.054 4.774 -13.119 1.00 0.00 N ATOM 0 H LYS A 82 1.255 0.350 -8.039 1.00 0.00 H new ATOM 0 HA LYS A 82 3.777 1.642 -7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.810 3.300 -9.144 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.011 1.700 -9.829 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.015 1.792 -11.021 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.265 2.921 -9.911 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.683 4.077 -11.985 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.758 4.736 -10.768 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.630 3.336 -11.694 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.549 2.738 -12.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.870 4.573 -13.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.227 5.003 -13.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.275 5.582 -12.503 1.00 0.00 H new ATOM 685 N VAL A 83 2.365 3.507 -6.332 1.00 0.00 N ATOM 686 CA VAL A 83 1.525 4.386 -5.462 1.00 0.00 C ATOM 687 C VAL A 83 1.382 5.835 -6.020 1.00 0.00 C ATOM 688 O VAL A 83 2.325 6.398 -6.581 1.00 0.00 O ATOM 689 CB VAL A 83 2.031 4.331 -3.984 1.00 0.00 C ATOM 690 CG1 VAL A 83 3.413 4.952 -3.701 1.00 0.00 C ATOM 691 CG2 VAL A 83 1.013 4.866 -2.956 1.00 0.00 C ATOM 0 H VAL A 83 3.367 3.612 -6.173 1.00 0.00 H new ATOM 0 HA VAL A 83 0.508 3.994 -5.469 1.00 0.00 H new ATOM 0 HB VAL A 83 2.150 3.255 -3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.648 4.850 -2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.171 4.438 -4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.399 6.008 -3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.436 4.795 -1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.783 5.908 -3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.099 4.274 -3.007 1.00 0.00 H new ATOM 692 N SER A 84 0.205 6.442 -5.766 1.00 0.00 N ATOM 693 CA SER A 84 0.026 7.916 -5.784 1.00 0.00 C ATOM 694 C SER A 84 -0.741 8.371 -4.506 1.00 0.00 C ATOM 695 O SER A 84 -1.684 7.719 -4.039 1.00 0.00 O ATOM 696 CB SER A 84 -0.737 8.385 -7.036 1.00 0.00 C ATOM 697 OG SER A 84 -0.080 7.993 -8.234 1.00 0.00 O ATOM 0 H SER A 84 -0.648 5.930 -5.543 1.00 0.00 H new ATOM 0 HA SER A 84 1.017 8.369 -5.806 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.745 7.972 -7.023 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.837 9.470 -7.015 1.00 0.00 H new ATOM 0 HG SER A 84 -0.594 8.307 -9.007 1.00 0.00 H new ATOM 698 N ILE A 85 -0.329 9.539 -3.980 1.00 0.00 N ATOM 699 CA ILE A 85 -1.005 10.232 -2.838 1.00 0.00 C ATOM 700 C ILE A 85 -1.683 11.487 -3.465 1.00 0.00 C ATOM 701 O ILE A 85 -1.005 12.332 -4.061 1.00 0.00 O ATOM 702 CB ILE A 85 0.004 10.556 -1.663 1.00 0.00 C ATOM 703 CG1 ILE A 85 0.246 9.385 -0.661 1.00 0.00 C ATOM 704 CG2 ILE A 85 -0.390 11.769 -0.772 1.00 0.00 C ATOM 705 CD1 ILE A 85 0.682 8.029 -1.218 1.00 0.00 C ATOM 0 H ILE A 85 0.487 10.042 -4.329 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.754 9.605 -2.354 1.00 0.00 H new ATOM 0 HB ILE A 85 0.903 10.771 -2.240 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.003 9.710 0.052 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.676 9.232 -0.100 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.363 11.910 0.004 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.451 12.667 -1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.358 11.580 -0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.809 7.322 -0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.078 7.656 -1.904 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.627 8.141 -1.750 1.00 0.00 H new ATOM 706 N TYR A 86 -3.005 11.619 -3.251 1.00 0.00 N ATOM 707 CA TYR A 86 -3.748 12.885 -3.507 1.00 0.00 C ATOM 708 C TYR A 86 -4.353 13.338 -2.140 1.00 0.00 C ATOM 709 O TYR A 86 -4.901 12.532 -1.379 1.00 0.00 O ATOM 710 CB TYR A 86 -4.861 12.779 -4.598 1.00 0.00 C ATOM 711 CG TYR A 86 -4.710 11.951 -5.901 1.00 0.00 C ATOM 712 CD1 TYR A 86 -3.480 11.722 -6.537 1.00 0.00 C ATOM 713 CD2 TYR A 86 -5.876 11.464 -6.510 1.00 0.00 C ATOM 714 CE1 TYR A 86 -3.417 11.011 -7.730 1.00 0.00 C ATOM 715 CE2 TYR A 86 -5.813 10.751 -7.707 1.00 0.00 C ATOM 716 CZ TYR A 86 -4.583 10.527 -8.313 1.00 0.00 C ATOM 717 OH TYR A 86 -4.516 9.837 -9.496 1.00 0.00 O ATOM 0 H TYR A 86 -3.592 10.863 -2.899 1.00 0.00 H new ATOM 0 HA TYR A 86 -3.048 13.615 -3.913 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.749 12.397 -4.094 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.084 13.800 -4.908 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -2.571 12.103 -6.094 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -6.835 11.643 -6.046 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -2.463 10.835 -8.204 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.717 10.374 -8.161 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.418 9.567 -9.769 1.00 0.00 H new ATOM 718 N ASP A 87 -4.291 14.650 -1.853 1.00 0.00 N ATOM 719 CA ASP A 87 -4.799 15.240 -0.572 1.00 0.00 C ATOM 720 C ASP A 87 -6.363 15.176 -0.399 1.00 0.00 C ATOM 721 O ASP A 87 -7.079 14.611 -1.232 1.00 0.00 O ATOM 722 CB ASP A 87 -4.258 16.706 -0.477 1.00 0.00 C ATOM 723 CG ASP A 87 -2.746 16.906 -0.292 1.00 0.00 C ATOM 724 OD1 ASP A 87 -2.106 16.130 0.454 1.00 0.00 O ATOM 725 OD2 ASP A 87 -2.193 17.859 -0.885 1.00 0.00 O ATOM 0 H ASP A 87 -3.892 15.340 -2.490 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.426 14.634 0.254 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.556 17.231 -1.384 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.764 17.195 0.355 1.00 0.00 H new ATOM 726 N THR A 88 -6.889 15.789 0.687 1.00 0.00 N ATOM 727 CA THR A 88 -8.339 16.149 0.813 1.00 0.00 C ATOM 728 C THR A 88 -8.965 16.960 -0.369 1.00 0.00 C ATOM 729 O THR A 88 -10.084 16.655 -0.788 1.00 0.00 O ATOM 730 CB THR A 88 -8.706 16.754 2.212 1.00 0.00 C ATOM 731 OG1 THR A 88 -8.525 18.170 2.230 1.00 0.00 O ATOM 732 CG2 THR A 88 -8.063 16.157 3.476 1.00 0.00 C ATOM 0 H THR A 88 -6.333 16.051 1.501 1.00 0.00 H new ATOM 0 HA THR A 88 -8.826 15.177 0.736 1.00 0.00 H new ATOM 0 HB THR A 88 -9.753 16.461 2.290 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.568 18.378 2.194 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.425 16.691 4.355 1.00 0.00 H new ATOM 0 HG22 THR A 88 -8.329 15.103 3.557 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.979 16.254 3.413 1.00 0.00 H new ATOM 733 N LYS A 89 -8.226 17.947 -0.920 1.00 0.00 N ATOM 734 CA LYS A 89 -8.572 18.616 -2.205 1.00 0.00 C ATOM 735 C LYS A 89 -8.582 17.673 -3.457 1.00 0.00 C ATOM 736 O LYS A 89 -9.452 17.848 -4.315 1.00 0.00 O ATOM 737 CB LYS A 89 -7.621 19.822 -2.473 1.00 0.00 C ATOM 738 CG LYS A 89 -7.709 21.049 -1.526 1.00 0.00 C ATOM 739 CD LYS A 89 -7.071 20.932 -0.120 1.00 0.00 C ATOM 740 CE LYS A 89 -5.575 20.555 -0.047 1.00 0.00 C ATOM 741 NZ LYS A 89 -4.678 21.552 -0.663 1.00 0.00 N ATOM 0 H LYS A 89 -7.373 18.306 -0.492 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.599 18.957 -2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.596 19.451 -2.444 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.804 20.172 -3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.246 21.895 -2.033 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.763 21.294 -1.395 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.203 21.886 0.390 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.634 20.188 0.444 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.294 20.424 0.998 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.428 19.594 -0.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -3.692 21.232 -0.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.919 21.662 -1.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.789 22.466 -0.179 1.00 0.00 H new ATOM 742 N GLY A 90 -7.639 16.714 -3.578 1.00 0.00 N ATOM 743 CA GLY A 90 -7.539 15.821 -4.753 1.00 0.00 C ATOM 744 C GLY A 90 -6.605 16.346 -5.859 1.00 0.00 C ATOM 745 O GLY A 90 -7.047 16.568 -6.992 1.00 0.00 O ATOM 0 H GLY A 90 -6.929 16.537 -2.868 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.184 14.844 -4.425 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -8.535 15.675 -5.171 1.00 0.00 H new ATOM 746 N LYS A 91 -5.316 16.519 -5.522 1.00 0.00 N ATOM 747 CA LYS A 91 -4.247 16.909 -6.481 1.00 0.00 C ATOM 748 C LYS A 91 -2.971 16.109 -6.114 1.00 0.00 C ATOM 749 O LYS A 91 -2.624 15.964 -4.934 1.00 0.00 O ATOM 750 CB LYS A 91 -3.940 18.433 -6.466 1.00 0.00 C ATOM 751 CG LYS A 91 -5.067 19.351 -6.987 1.00 0.00 C ATOM 752 CD LYS A 91 -4.638 20.831 -7.101 1.00 0.00 C ATOM 753 CE LYS A 91 -5.685 21.769 -7.733 1.00 0.00 C ATOM 754 NZ LYS A 91 -6.837 22.042 -6.854 1.00 0.00 N ATOM 0 H LYS A 91 -4.975 16.393 -4.569 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.589 16.680 -7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.702 18.726 -5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.047 18.610 -7.065 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.393 18.997 -7.965 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.925 19.278 -6.319 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.396 21.201 -6.105 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.723 20.883 -7.691 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.205 22.712 -7.994 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.044 21.326 -8.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.501 22.678 -7.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.318 21.149 -6.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.506 22.492 -5.977 1.00 0.00 H new ATOM 755 N ASN A 92 -2.253 15.602 -7.137 1.00 0.00 N ATOM 756 CA ASN A 92 -1.108 14.674 -6.938 1.00 0.00 C ATOM 757 C ASN A 92 0.125 15.360 -6.271 1.00 0.00 C ATOM 758 O ASN A 92 0.624 16.400 -6.710 1.00 0.00 O ATOM 759 CB ASN A 92 -0.797 13.931 -8.268 1.00 0.00 C ATOM 760 CG ASN A 92 0.414 12.966 -8.277 1.00 0.00 C ATOM 761 OD1 ASN A 92 1.430 13.222 -8.922 1.00 0.00 O ATOM 762 ND2 ASN A 92 0.339 11.855 -7.563 1.00 0.00 N ATOM 0 H ASN A 92 -2.443 15.818 -8.116 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.393 13.915 -6.210 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.683 13.363 -8.552 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -0.637 14.680 -9.043 1.00 0.00 H new ATOM 0 HD21 ASN A 92 1.126 11.206 -7.545 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -0.505 11.647 -7.030 1.00 0.00 H new ATOM 763 N VAL A 93 0.563 14.715 -5.181 1.00 0.00 N ATOM 764 CA VAL A 93 1.563 15.246 -4.218 1.00 0.00 C ATOM 765 C VAL A 93 2.947 14.593 -4.503 1.00 0.00 C ATOM 766 O VAL A 93 3.898 15.253 -4.925 1.00 0.00 O ATOM 767 CB VAL A 93 1.055 15.080 -2.732 1.00 0.00 C ATOM 768 CG1 VAL A 93 1.917 15.857 -1.719 1.00 0.00 C ATOM 769 CG2 VAL A 93 -0.424 15.438 -2.465 1.00 0.00 C ATOM 0 H VAL A 93 0.229 13.785 -4.930 1.00 0.00 H new ATOM 0 HA VAL A 93 1.691 16.320 -4.352 1.00 0.00 H new ATOM 0 HB VAL A 93 1.152 14.004 -2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.522 15.707 -0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.944 15.496 -1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.895 16.919 -1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.651 15.283 -1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.598 16.482 -2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.068 14.802 -3.072 1.00 0.00 H new ATOM 770 N LEU A 94 2.996 13.281 -4.250 1.00 0.00 N ATOM 771 CA LEU A 94 4.155 12.396 -4.517 1.00 0.00 C ATOM 772 C LEU A 94 3.663 11.077 -5.188 1.00 0.00 C ATOM 773 O LEU A 94 2.493 10.676 -5.085 1.00 0.00 O ATOM 774 CB LEU A 94 5.006 12.188 -3.225 1.00 0.00 C ATOM 775 CG LEU A 94 4.347 11.631 -1.925 1.00 0.00 C ATOM 776 CD1 LEU A 94 3.961 10.138 -1.996 1.00 0.00 C ATOM 777 CD2 LEU A 94 5.286 11.853 -0.726 1.00 0.00 C ATOM 0 H LEU A 94 2.208 12.781 -3.840 1.00 0.00 H new ATOM 0 HA LEU A 94 4.835 12.866 -5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.825 11.517 -3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.450 13.151 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 94 3.416 12.185 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.510 9.833 -1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.247 9.985 -2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.853 9.540 -2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.820 11.462 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.229 11.335 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.475 12.920 -0.605 1.00 0.00 H new ATOM 778 N GLU A 95 4.600 10.398 -5.869 1.00 0.00 N ATOM 779 CA GLU A 95 4.357 9.064 -6.484 1.00 0.00 C ATOM 780 C GLU A 95 5.662 8.215 -6.416 1.00 0.00 C ATOM 781 O GLU A 95 6.755 8.689 -6.743 1.00 0.00 O ATOM 782 CB GLU A 95 3.736 9.156 -7.909 1.00 0.00 C ATOM 783 CG GLU A 95 4.530 9.933 -8.985 1.00 0.00 C ATOM 784 CD GLU A 95 3.777 10.029 -10.312 1.00 0.00 C ATOM 785 OE1 GLU A 95 2.943 10.948 -10.468 1.00 0.00 O ATOM 786 OE2 GLU A 95 4.019 9.192 -11.210 1.00 0.00 O ATOM 0 H GLU A 95 5.547 10.748 -6.014 1.00 0.00 H new ATOM 0 HA GLU A 95 3.595 8.544 -5.903 1.00 0.00 H new ATOM 0 HB2 GLU A 95 3.580 8.141 -8.274 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.753 9.617 -7.818 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.745 10.937 -8.619 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.489 9.442 -9.150 1.00 0.00 H new ATOM 787 N LYS A 96 5.516 6.950 -5.983 1.00 0.00 N ATOM 788 CA LYS A 96 6.633 5.967 -5.887 1.00 0.00 C ATOM 789 C LYS A 96 6.228 4.673 -6.675 1.00 0.00 C ATOM 790 O LYS A 96 5.111 4.540 -7.195 1.00 0.00 O ATOM 791 CB LYS A 96 7.028 5.623 -4.413 1.00 0.00 C ATOM 792 CG LYS A 96 6.915 6.643 -3.249 1.00 0.00 C ATOM 793 CD LYS A 96 7.988 7.747 -3.169 1.00 0.00 C ATOM 794 CE LYS A 96 7.948 8.463 -1.802 1.00 0.00 C ATOM 795 NZ LYS A 96 9.002 9.482 -1.661 1.00 0.00 N ATOM 0 H LYS A 96 4.618 6.569 -5.686 1.00 0.00 H new ATOM 0 HA LYS A 96 7.520 6.421 -6.328 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.430 4.758 -4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.068 5.297 -4.439 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.940 7.125 -3.317 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.932 6.088 -2.311 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.975 7.311 -3.326 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.829 8.472 -3.967 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.974 8.934 -1.672 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.054 7.725 -1.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.928 9.931 -0.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.935 9.032 -1.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.888 10.204 -2.401 1.00 0.00 H new ATOM 796 N ILE A 97 7.167 3.719 -6.783 1.00 0.00 N ATOM 797 CA ILE A 97 7.012 2.498 -7.638 1.00 0.00 C ATOM 798 C ILE A 97 7.411 1.249 -6.775 1.00 0.00 C ATOM 799 O ILE A 97 8.271 1.319 -5.886 1.00 0.00 O ATOM 800 CB ILE A 97 7.781 2.622 -9.009 1.00 0.00 C ATOM 801 CG1 ILE A 97 7.672 4.020 -9.707 1.00 0.00 C ATOM 802 CG2 ILE A 97 7.378 1.496 -9.999 1.00 0.00 C ATOM 803 CD1 ILE A 97 8.577 4.246 -10.932 1.00 0.00 C ATOM 0 H ILE A 97 8.058 3.758 -6.288 1.00 0.00 H new ATOM 0 HA ILE A 97 5.973 2.378 -7.946 1.00 0.00 H new ATOM 0 HB ILE A 97 8.830 2.508 -8.734 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.637 4.168 -10.015 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.898 4.789 -8.969 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.930 1.617 -10.931 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.613 0.526 -9.561 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.308 1.554 -10.200 1.00 0.00 H new ATOM 0 HD11 ILE A 97 8.411 5.248 -11.327 1.00 0.00 H new ATOM 0 HD12 ILE A 97 9.621 4.140 -10.638 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.340 3.510 -11.700 1.00 0.00 H new ATOM 804 N PHE A 98 6.728 0.107 -6.990 1.00 0.00 N ATOM 805 CA PHE A 98 6.830 -1.103 -6.110 1.00 0.00 C ATOM 806 C PHE A 98 6.649 -2.408 -6.947 1.00 0.00 C ATOM 807 O PHE A 98 6.131 -2.379 -8.066 1.00 0.00 O ATOM 808 CB PHE A 98 5.733 -1.034 -5.008 1.00 0.00 C ATOM 809 CG PHE A 98 6.020 -0.024 -3.891 1.00 0.00 C ATOM 810 CD1 PHE A 98 6.742 -0.420 -2.758 1.00 0.00 C ATOM 811 CD2 PHE A 98 5.584 1.300 -4.004 1.00 0.00 C ATOM 812 CE1 PHE A 98 6.986 0.494 -1.736 1.00 0.00 C ATOM 813 CE2 PHE A 98 5.859 2.210 -2.993 1.00 0.00 C ATOM 814 CZ PHE A 98 6.537 1.803 -1.856 1.00 0.00 C ATOM 0 H PHE A 98 6.087 -0.015 -7.774 1.00 0.00 H new ATOM 0 HA PHE A 98 7.818 -1.120 -5.649 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.781 -0.780 -5.475 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.617 -2.023 -4.566 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.109 -1.433 -2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.033 1.614 -4.878 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.523 0.186 -0.851 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.544 3.238 -3.093 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.718 2.508 -1.058 1.00 0.00 H new ATOM 815 N ASP A 99 7.087 -3.578 -6.419 1.00 0.00 N ATOM 816 CA ASP A 99 7.078 -4.836 -7.219 1.00 0.00 C ATOM 817 C ASP A 99 6.949 -6.065 -6.281 1.00 0.00 C ATOM 818 O ASP A 99 8.000 -6.538 -5.829 1.00 0.00 O ATOM 819 CB ASP A 99 8.364 -4.999 -8.103 1.00 0.00 C ATOM 820 CG ASP A 99 8.693 -3.956 -9.182 1.00 0.00 C ATOM 821 OD1 ASP A 99 9.219 -2.872 -8.836 1.00 0.00 O ATOM 822 OD2 ASP A 99 8.462 -4.222 -10.379 1.00 0.00 O ATOM 0 H ASP A 99 7.443 -3.681 -5.469 1.00 0.00 H new ATOM 0 HA ASP A 99 6.219 -4.776 -7.887 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.218 -5.046 -7.427 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.296 -5.967 -8.599 1.00 0.00 H new ATOM 823 N LEU A 100 5.756 -6.682 -6.019 1.00 0.00 N ATOM 824 CA LEU A 100 5.760 -7.986 -5.291 1.00 0.00 C ATOM 825 C LEU A 100 6.174 -9.146 -6.249 1.00 0.00 C ATOM 826 O LEU A 100 5.511 -9.395 -7.261 1.00 0.00 O ATOM 827 CB LEU A 100 4.451 -8.262 -4.520 1.00 0.00 C ATOM 828 CG LEU A 100 4.130 -7.234 -3.395 1.00 0.00 C ATOM 829 CD1 LEU A 100 2.848 -6.450 -3.701 1.00 0.00 C ATOM 830 CD2 LEU A 100 4.074 -7.895 -2.006 1.00 0.00 C ATOM 0 H LEU A 100 4.837 -6.325 -6.282 1.00 0.00 H new ATOM 0 HA LEU A 100 6.518 -7.922 -4.511 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.623 -8.275 -5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.508 -9.257 -4.079 1.00 0.00 H new ATOM 0 HG LEU A 100 4.953 -6.520 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.654 -5.742 -2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.968 -5.909 -4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.010 -7.142 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.847 -7.140 -1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.298 -8.660 -1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.037 -8.353 -1.782 1.00 0.00 H new ATOM 831 N LYS A 101 7.284 -9.827 -5.900 1.00 0.00 N ATOM 832 CA LYS A 101 7.796 -11.026 -6.625 1.00 0.00 C ATOM 833 C LYS A 101 8.068 -12.186 -5.617 1.00 0.00 C ATOM 834 O LYS A 101 8.534 -11.979 -4.490 1.00 0.00 O ATOM 835 CB LYS A 101 9.101 -10.708 -7.399 1.00 0.00 C ATOM 836 CG LYS A 101 8.937 -9.792 -8.628 1.00 0.00 C ATOM 837 CD LYS A 101 10.250 -9.641 -9.431 1.00 0.00 C ATOM 838 CE LYS A 101 10.127 -8.818 -10.727 1.00 0.00 C ATOM 839 NZ LYS A 101 9.891 -7.383 -10.490 1.00 0.00 N ATOM 0 H LYS A 101 7.861 -9.564 -5.101 1.00 0.00 H new ATOM 0 HA LYS A 101 7.033 -11.327 -7.343 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.806 -10.241 -6.711 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.548 -11.647 -7.725 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.161 -10.197 -9.278 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.599 -8.808 -8.302 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.998 -9.174 -8.791 1.00 0.00 H new ATOM 0 HD3 LYS A 101 10.621 -10.634 -9.683 1.00 0.00 H new ATOM 0 HE2 LYS A 101 11.039 -8.937 -11.312 1.00 0.00 H new ATOM 0 HE3 LYS A 101 9.310 -9.219 -11.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.134 -6.845 -11.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 8.889 -7.230 -10.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.483 -7.060 -9.698 1.00 0.00 H new ATOM 840 N ILE A 102 7.783 -13.427 -6.064 1.00 0.00 N ATOM 841 CA ILE A 102 7.948 -14.668 -5.246 1.00 0.00 C ATOM 842 C ILE A 102 9.367 -15.251 -5.522 1.00 0.00 C ATOM 843 O ILE A 102 9.779 -15.375 -6.682 1.00 0.00 O ATOM 844 CB ILE A 102 6.799 -15.696 -5.563 1.00 0.00 C ATOM 845 CG1 ILE A 102 5.358 -15.165 -5.358 1.00 0.00 C ATOM 846 CG2 ILE A 102 6.863 -17.041 -4.806 1.00 0.00 C ATOM 847 CD1 ILE A 102 4.902 -14.925 -3.908 1.00 0.00 C ATOM 0 H ILE A 102 7.430 -13.607 -7.004 1.00 0.00 H new ATOM 0 HA ILE A 102 7.868 -14.441 -4.183 1.00 0.00 H new ATOM 0 HB ILE A 102 7.003 -15.857 -6.622 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.262 -14.226 -5.903 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.668 -15.872 -5.818 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.022 -17.667 -5.105 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.797 -17.549 -5.046 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.815 -16.857 -3.733 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.877 -14.555 -3.906 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.951 -15.861 -3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.555 -14.189 -3.438 1.00 0.00 H new ATOM 848 N GLN A 103 10.101 -15.615 -4.448 1.00 0.00 N ATOM 849 CA GLN A 103 11.532 -16.031 -4.538 1.00 0.00 C ATOM 850 C GLN A 103 11.770 -17.305 -5.416 1.00 0.00 C ATOM 851 O GLN A 103 10.913 -18.190 -5.506 1.00 0.00 O ATOM 852 CB GLN A 103 12.144 -16.180 -3.113 1.00 0.00 C ATOM 853 CG GLN A 103 12.293 -14.849 -2.330 1.00 0.00 C ATOM 854 CD GLN A 103 13.023 -15.000 -0.986 1.00 0.00 C ATOM 855 OE1 GLN A 103 14.248 -14.916 -0.916 1.00 0.00 O ATOM 856 NE2 GLN A 103 12.301 -15.210 0.106 1.00 0.00 N ATOM 0 H GLN A 103 9.729 -15.631 -3.498 1.00 0.00 H new ATOM 0 HA GLN A 103 12.056 -15.232 -5.062 1.00 0.00 H new ATOM 0 HB2 GLN A 103 11.519 -16.859 -2.533 1.00 0.00 H new ATOM 0 HB3 GLN A 103 13.125 -16.646 -3.201 1.00 0.00 H new ATOM 0 HG2 GLN A 103 12.834 -14.133 -2.948 1.00 0.00 H new ATOM 0 HG3 GLN A 103 11.303 -14.431 -2.150 1.00 0.00 H new ATOM 0 HE21 GLN A 103 11.285 -15.279 0.041 1.00 0.00 H new ATOM 0 HE22 GLN A 103 12.761 -15.303 1.012 1.00 0.00 H new ATOM 857 N GLU A 104 12.920 -17.320 -6.114 1.00 0.00 N ATOM 858 CA GLU A 104 13.187 -18.251 -7.244 1.00 0.00 C ATOM 859 C GLU A 104 14.581 -18.883 -7.016 1.00 0.00 C ATOM 860 O GLU A 104 15.640 -18.349 -7.357 1.00 0.00 O ATOM 861 CB GLU A 104 13.084 -17.481 -8.572 1.00 0.00 C ATOM 862 CG GLU A 104 13.217 -18.322 -9.860 1.00 0.00 C ATOM 863 CD GLU A 104 13.087 -17.465 -11.119 1.00 0.00 C ATOM 864 OE1 GLU A 104 11.950 -17.279 -11.607 1.00 0.00 O ATOM 865 OE2 GLU A 104 14.117 -16.971 -11.627 1.00 0.00 O ATOM 0 H GLU A 104 13.696 -16.689 -5.916 1.00 0.00 H new ATOM 0 HA GLU A 104 12.453 -19.056 -7.293 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.123 -16.967 -8.596 1.00 0.00 H new ATOM 0 HB3 GLU A 104 13.857 -16.713 -8.583 1.00 0.00 H new ATOM 0 HG2 GLU A 104 14.182 -18.829 -9.864 1.00 0.00 H new ATOM 0 HG3 GLU A 104 12.450 -19.097 -9.868 1.00 0.00 H new ATOM 866 N ARG A 105 14.484 -20.066 -6.421 1.00 0.00 N ATOM 867 CA ARG A 105 15.646 -20.909 -6.044 1.00 0.00 C ATOM 868 C ARG A 105 16.294 -21.560 -7.297 1.00 0.00 C ATOM 869 O ARG A 105 17.443 -21.191 -7.632 1.00 0.00 O ATOM 870 CB ARG A 105 15.184 -21.976 -5.010 1.00 0.00 C ATOM 871 CG ARG A 105 16.327 -22.765 -4.324 1.00 0.00 C ATOM 872 CD ARG A 105 15.925 -24.159 -3.803 1.00 0.00 C ATOM 873 NE ARG A 105 15.763 -25.132 -4.918 1.00 0.00 N ATOM 874 CZ ARG A 105 15.198 -26.348 -4.804 1.00 0.00 C ATOM 875 NH1 ARG A 105 14.694 -26.834 -3.673 1.00 0.00 N ATOM 876 NH2 ARG A 105 15.143 -27.102 -5.888 1.00 0.00 N ATOM 877 OXT ARG A 105 15.669 -22.433 -7.942 1.00 0.00 O ATOM 0 H ARG A 105 13.587 -20.486 -6.177 1.00 0.00 H new ATOM 0 HA ARG A 105 16.414 -20.287 -5.585 1.00 0.00 H new ATOM 0 HB2 ARG A 105 14.592 -21.481 -4.240 1.00 0.00 H new ATOM 0 HB3 ARG A 105 14.525 -22.684 -5.512 1.00 0.00 H new ATOM 0 HG2 ARG A 105 17.147 -22.880 -5.033 1.00 0.00 H new ATOM 0 HG3 ARG A 105 16.707 -22.176 -3.489 1.00 0.00 H new ATOM 0 HD2 ARG A 105 16.683 -24.522 -3.109 1.00 0.00 H new ATOM 0 HD3 ARG A 105 14.992 -24.085 -3.245 1.00 0.00 H new ATOM 0 HE ARG A 105 16.106 -24.856 -5.838 1.00 0.00 H new ATOM 0 HH11 ARG A 105 14.722 -26.275 -2.820 1.00 0.00 H new ATOM 0 HH12 ARG A 105 14.280 -27.766 -3.658 1.00 0.00 H new ATOM 0 HH21 ARG A 105 15.521 -26.756 -6.770 1.00 0.00 H new ATOM 0 HH22 ARG A 105 14.722 -28.030 -5.843 1.00 0.00 H new