USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 LYS NZ :NH3+ 147:sc= -0.119 (180deg=-0.745) USER MOD Set 1.2: A 82 LYS NZ :NH3+ -146:sc= 0 (180deg=0) USER MOD Set 1.3: A 84 SER OG : rot -1:sc= 0.0553 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 77:sc= 0.134 USER MOD Single : A 15 GLN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.07) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0271 X(o=-0.027,f=-0.12) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 108:sc= 1.99 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 157:sc= -0.0232 (180deg=-0.788) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 81 TYR OH : rot -83:sc=0.000541 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.569 X(o=-0.57,f=-0.44) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.0133 K(o=-0.013,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 34 N ASN A 5 12.204 3.794 -11.371 1.00 0.00 N ATOM 35 CA ASN A 5 12.215 4.216 -9.935 1.00 0.00 C ATOM 36 C ASN A 5 11.431 3.215 -9.017 1.00 0.00 C ATOM 37 O ASN A 5 10.529 3.572 -8.255 1.00 0.00 O ATOM 38 CB ASN A 5 11.685 5.666 -9.803 1.00 0.00 C ATOM 39 CG ASN A 5 12.470 6.776 -10.539 1.00 0.00 C ATOM 40 OD1 ASN A 5 12.025 7.296 -11.559 1.00 0.00 O ATOM 41 ND2 ASN A 5 13.648 7.147 -10.053 1.00 0.00 N ATOM 0 HA ASN A 5 13.247 4.197 -9.584 1.00 0.00 H new ATOM 0 HB2 ASN A 5 10.657 5.684 -10.164 1.00 0.00 H new ATOM 0 HB3 ASN A 5 11.655 5.919 -8.743 1.00 0.00 H new ATOM 0 HD21 ASN A 5 14.191 7.869 -10.527 1.00 0.00 H new ATOM 0 HD22 ASN A 5 14.010 6.710 -9.205 1.00 0.00 H new ATOM 42 N ALA A 6 11.843 1.945 -9.120 1.00 0.00 N ATOM 43 CA ALA A 6 11.134 0.785 -8.518 1.00 0.00 C ATOM 44 C ALA A 6 11.929 0.120 -7.373 1.00 0.00 C ATOM 45 O ALA A 6 13.165 0.152 -7.340 1.00 0.00 O ATOM 46 CB ALA A 6 10.860 -0.233 -9.644 1.00 0.00 C ATOM 0 H ALA A 6 12.687 1.680 -9.628 1.00 0.00 H new ATOM 0 HA ALA A 6 10.206 1.139 -8.069 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.339 -1.098 -9.234 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.242 0.232 -10.412 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.805 -0.553 -10.083 1.00 0.00 H new ATOM 47 N LEU A 7 11.186 -0.512 -6.442 1.00 0.00 N ATOM 48 CA LEU A 7 11.773 -1.236 -5.294 1.00 0.00 C ATOM 49 C LEU A 7 11.524 -2.749 -5.489 1.00 0.00 C ATOM 50 O LEU A 7 10.409 -3.219 -5.739 1.00 0.00 O ATOM 51 CB LEU A 7 11.229 -0.757 -3.919 1.00 0.00 C ATOM 52 CG LEU A 7 11.463 0.738 -3.565 1.00 0.00 C ATOM 53 CD1 LEU A 7 11.052 1.056 -2.118 1.00 0.00 C ATOM 54 CD2 LEU A 7 12.907 1.252 -3.761 1.00 0.00 C ATOM 0 H LEU A 7 10.166 -0.536 -6.463 1.00 0.00 H new ATOM 0 HA LEU A 7 12.842 -1.023 -5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.157 -0.951 -3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.685 -1.368 -3.140 1.00 0.00 H new ATOM 0 HG LEU A 7 10.829 1.256 -4.285 1.00 0.00 H new ATOM 0 HD11 LEU A 7 11.232 2.111 -1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.993 0.836 -1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 7 11.639 0.447 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 7 12.959 2.305 -3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.586 0.678 -3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.196 1.136 -4.806 1.00 0.00 H new ATOM 55 N GLU A 8 12.626 -3.483 -5.312 1.00 0.00 N ATOM 56 CA GLU A 8 12.632 -4.966 -5.262 1.00 0.00 C ATOM 57 C GLU A 8 12.186 -5.401 -3.841 1.00 0.00 C ATOM 58 O GLU A 8 12.895 -5.238 -2.843 1.00 0.00 O ATOM 59 CB GLU A 8 14.047 -5.502 -5.589 1.00 0.00 C ATOM 60 CG GLU A 8 14.571 -5.276 -7.030 1.00 0.00 C ATOM 61 CD GLU A 8 13.886 -6.173 -8.067 1.00 0.00 C ATOM 62 OE1 GLU A 8 12.826 -5.777 -8.604 1.00 0.00 O ATOM 63 OE2 GLU A 8 14.403 -7.278 -8.344 1.00 0.00 O ATOM 0 H GLU A 8 13.552 -3.071 -5.197 1.00 0.00 H new ATOM 0 HA GLU A 8 11.945 -5.377 -6.002 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.752 -5.042 -4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.058 -6.573 -5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.420 -4.232 -7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.645 -5.460 -7.053 1.00 0.00 H new ATOM 64 N THR A 9 10.942 -5.876 -3.802 1.00 0.00 N ATOM 65 CA THR A 9 10.127 -5.979 -2.559 1.00 0.00 C ATOM 66 C THR A 9 9.774 -7.481 -2.418 1.00 0.00 C ATOM 67 O THR A 9 8.891 -7.990 -3.120 1.00 0.00 O ATOM 68 CB THR A 9 8.914 -5.004 -2.677 1.00 0.00 C ATOM 69 OG1 THR A 9 9.379 -3.661 -2.765 1.00 0.00 O ATOM 70 CG2 THR A 9 7.901 -5.059 -1.528 1.00 0.00 C ATOM 0 H THR A 9 10.453 -6.208 -4.633 1.00 0.00 H new ATOM 0 HA THR A 9 10.638 -5.672 -1.646 1.00 0.00 H new ATOM 0 HB THR A 9 8.393 -5.336 -3.575 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.708 -3.487 -3.672 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.102 -4.342 -1.713 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.480 -6.062 -1.462 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.400 -4.812 -0.591 1.00 0.00 H new ATOM 71 N TRP A 10 10.504 -8.194 -1.550 1.00 0.00 N ATOM 72 CA TRP A 10 10.506 -9.685 -1.543 1.00 0.00 C ATOM 73 C TRP A 10 9.670 -10.208 -0.348 1.00 0.00 C ATOM 74 O TRP A 10 10.008 -9.993 0.820 1.00 0.00 O ATOM 75 CB TRP A 10 11.937 -10.279 -1.522 1.00 0.00 C ATOM 76 CG TRP A 10 12.762 -10.055 -2.796 1.00 0.00 C ATOM 77 CD1 TRP A 10 13.659 -8.986 -3.011 1.00 0.00 C ATOM 78 CD2 TRP A 10 12.824 -10.832 -3.943 1.00 0.00 C ATOM 79 NE1 TRP A 10 14.278 -9.076 -4.271 1.00 0.00 N ATOM 80 CE2 TRP A 10 13.745 -10.222 -4.833 1.00 0.00 C ATOM 81 CE3 TRP A 10 12.162 -12.033 -4.307 1.00 0.00 C ATOM 82 CZ2 TRP A 10 14.004 -10.802 -6.097 1.00 0.00 C ATOM 83 CZ3 TRP A 10 12.452 -12.599 -5.549 1.00 0.00 C ATOM 84 CH2 TRP A 10 13.352 -11.989 -6.434 1.00 0.00 C ATOM 0 H TRP A 10 11.104 -7.774 -0.840 1.00 0.00 H new ATOM 0 HA TRP A 10 10.049 -10.018 -2.475 1.00 0.00 H new ATOM 0 HB2 TRP A 10 12.478 -9.849 -0.679 1.00 0.00 H new ATOM 0 HB3 TRP A 10 11.864 -11.351 -1.341 1.00 0.00 H new ATOM 0 HD1 TRP A 10 13.846 -8.198 -2.297 1.00 0.00 H new ATOM 0 HE1 TRP A 10 14.964 -8.440 -4.678 1.00 0.00 H new ATOM 0 HE3 TRP A 10 11.451 -12.498 -3.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 14.692 -10.336 -6.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 11.974 -13.525 -5.834 1.00 0.00 H new ATOM 0 HH2 TRP A 10 13.544 -12.446 -7.394 1.00 0.00 H new ATOM 85 N GLY A 11 8.595 -10.919 -0.695 1.00 0.00 N ATOM 86 CA GLY A 11 7.732 -11.634 0.271 1.00 0.00 C ATOM 87 C GLY A 11 7.564 -13.109 -0.136 1.00 0.00 C ATOM 88 O GLY A 11 7.650 -13.473 -1.314 1.00 0.00 O ATOM 0 H GLY A 11 8.289 -11.021 -1.663 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.167 -11.574 1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.756 -11.152 0.320 1.00 0.00 H new ATOM 89 N ALA A 12 7.324 -13.967 0.864 1.00 0.00 N ATOM 90 CA ALA A 12 7.307 -15.438 0.662 1.00 0.00 C ATOM 91 C ALA A 12 5.904 -15.990 0.285 1.00 0.00 C ATOM 92 O ALA A 12 4.854 -15.471 0.672 1.00 0.00 O ATOM 93 CB ALA A 12 7.850 -16.115 1.934 1.00 0.00 C ATOM 0 H ALA A 12 7.138 -13.677 1.824 1.00 0.00 H new ATOM 0 HA ALA A 12 7.945 -15.670 -0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.844 -17.197 1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.870 -15.778 2.119 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.221 -15.850 2.784 1.00 0.00 H new ATOM 94 N LEU A 13 5.928 -17.118 -0.436 1.00 0.00 N ATOM 95 CA LEU A 13 4.746 -17.991 -0.667 1.00 0.00 C ATOM 96 C LEU A 13 4.369 -18.719 0.653 1.00 0.00 C ATOM 97 O LEU A 13 5.192 -19.390 1.285 1.00 0.00 O ATOM 98 CB LEU A 13 5.155 -18.944 -1.814 1.00 0.00 C ATOM 99 CG LEU A 13 4.340 -20.187 -2.259 1.00 0.00 C ATOM 100 CD1 LEU A 13 2.811 -20.074 -2.199 1.00 0.00 C ATOM 101 CD2 LEU A 13 4.766 -20.573 -3.695 1.00 0.00 C ATOM 0 H LEU A 13 6.776 -17.464 -0.886 1.00 0.00 H new ATOM 0 HA LEU A 13 3.849 -17.444 -0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.261 -18.320 -2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.150 -19.311 -1.561 1.00 0.00 H new ATOM 0 HG LEU A 13 4.580 -20.953 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.364 -21.009 -2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.501 -19.872 -1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.481 -19.260 -2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.200 -21.446 -4.020 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.568 -19.740 -4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.831 -20.805 -3.709 1.00 0.00 H new ATOM 102 N GLY A 14 3.120 -18.496 1.065 1.00 0.00 N ATOM 103 CA GLY A 14 2.666 -18.753 2.445 1.00 0.00 C ATOM 104 C GLY A 14 2.776 -17.543 3.397 1.00 0.00 C ATOM 105 O GLY A 14 3.231 -17.748 4.527 1.00 0.00 O ATOM 0 H GLY A 14 2.388 -18.131 0.455 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.627 -19.082 2.416 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.249 -19.576 2.857 1.00 0.00 H new ATOM 106 N GLN A 15 2.417 -16.299 2.977 1.00 0.00 N ATOM 107 CA GLN A 15 2.781 -15.082 3.788 1.00 0.00 C ATOM 108 C GLN A 15 1.960 -13.791 3.454 1.00 0.00 C ATOM 109 O GLN A 15 1.503 -13.586 2.327 1.00 0.00 O ATOM 110 CB GLN A 15 4.321 -14.794 3.698 1.00 0.00 C ATOM 111 CG GLN A 15 4.958 -14.091 4.922 1.00 0.00 C ATOM 112 CD GLN A 15 6.458 -13.792 4.751 1.00 0.00 C ATOM 113 OE1 GLN A 15 7.313 -14.512 5.266 1.00 0.00 O ATOM 114 NE2 GLN A 15 6.810 -12.732 4.041 1.00 0.00 N ATOM 0 H GLN A 15 1.898 -16.106 2.120 1.00 0.00 H new ATOM 0 HA GLN A 15 2.508 -15.336 4.812 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.838 -15.740 3.539 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.504 -14.179 2.817 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.429 -13.156 5.109 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.819 -14.718 5.803 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.094 -12.141 3.618 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.797 -12.506 3.917 1.00 0.00 H new ATOM 115 N ASP A 16 1.860 -12.899 4.463 1.00 0.00 N ATOM 116 CA ASP A 16 1.418 -11.479 4.311 1.00 0.00 C ATOM 117 C ASP A 16 2.642 -10.505 4.174 1.00 0.00 C ATOM 118 O ASP A 16 3.660 -10.667 4.856 1.00 0.00 O ATOM 119 CB ASP A 16 0.558 -11.134 5.566 1.00 0.00 C ATOM 120 CG ASP A 16 0.042 -9.684 5.693 1.00 0.00 C ATOM 121 OD1 ASP A 16 0.759 -8.844 6.282 1.00 0.00 O ATOM 122 OD2 ASP A 16 -1.066 -9.382 5.209 1.00 0.00 O ATOM 0 H ASP A 16 2.086 -13.142 5.428 1.00 0.00 H new ATOM 0 HA ASP A 16 0.834 -11.358 3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.304 -11.801 5.578 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.149 -11.361 6.453 1.00 0.00 H new ATOM 123 N ILE A 17 2.484 -9.445 3.353 1.00 0.00 N ATOM 124 CA ILE A 17 3.447 -8.296 3.293 1.00 0.00 C ATOM 125 C ILE A 17 2.674 -6.979 2.910 1.00 0.00 C ATOM 126 O ILE A 17 1.708 -6.996 2.141 1.00 0.00 O ATOM 127 CB ILE A 17 4.718 -8.631 2.423 1.00 0.00 C ATOM 128 CG1 ILE A 17 5.866 -7.593 2.580 1.00 0.00 C ATOM 129 CG2 ILE A 17 4.392 -8.887 0.938 1.00 0.00 C ATOM 130 CD1 ILE A 17 7.249 -8.055 2.088 1.00 0.00 C ATOM 0 H ILE A 17 1.696 -9.350 2.713 1.00 0.00 H new ATOM 0 HA ILE A 17 3.873 -8.111 4.279 1.00 0.00 H new ATOM 0 HB ILE A 17 5.087 -9.572 2.832 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.591 -6.688 2.038 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.946 -7.322 3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.311 -9.112 0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.707 -9.731 0.856 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.927 -7.999 0.509 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.976 -7.257 2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.557 -8.940 2.645 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.196 -8.296 1.026 1.00 0.00 H new ATOM 131 N ASN A 18 3.116 -5.832 3.469 1.00 0.00 N ATOM 132 CA ASN A 18 2.381 -4.528 3.407 1.00 0.00 C ATOM 133 C ASN A 18 2.941 -3.556 2.315 1.00 0.00 C ATOM 134 O ASN A 18 4.080 -3.709 1.859 1.00 0.00 O ATOM 135 CB ASN A 18 2.465 -3.866 4.819 1.00 0.00 C ATOM 136 CG ASN A 18 1.652 -4.523 5.963 1.00 0.00 C ATOM 137 OD1 ASN A 18 1.173 -5.654 5.880 1.00 0.00 O ATOM 138 ND2 ASN A 18 1.496 -3.817 7.072 1.00 0.00 N ATOM 0 H ASN A 18 3.996 -5.773 3.981 1.00 0.00 H new ATOM 0 HA ASN A 18 1.348 -4.728 3.123 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.513 -3.844 5.119 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.139 -2.830 4.726 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.979 -4.210 7.858 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.893 -2.880 7.140 1.00 0.00 H new ATOM 139 N LEU A 19 2.136 -2.530 1.929 1.00 0.00 N ATOM 140 CA LEU A 19 2.576 -1.438 1.004 1.00 0.00 C ATOM 141 C LEU A 19 2.411 -0.074 1.711 1.00 0.00 C ATOM 142 O LEU A 19 1.332 0.521 1.750 1.00 0.00 O ATOM 143 CB LEU A 19 1.841 -1.463 -0.368 1.00 0.00 C ATOM 144 CG LEU A 19 2.646 -2.089 -1.539 1.00 0.00 C ATOM 145 CD1 LEU A 19 3.506 -3.341 -1.309 1.00 0.00 C ATOM 146 CD2 LEU A 19 1.661 -2.372 -2.661 1.00 0.00 C ATOM 0 H LEU A 19 1.171 -2.432 2.244 1.00 0.00 H new ATOM 0 HA LEU A 19 3.628 -1.603 0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.909 -2.016 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.574 -0.441 -0.637 1.00 0.00 H new ATOM 0 HG LEU A 19 3.408 -1.338 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.990 -3.627 -2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.266 -3.127 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.873 -4.159 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.189 -2.814 -3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.897 -3.064 -2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.190 -1.441 -2.975 1.00 0.00 H new ATOM 147 N ASP A 20 3.540 0.410 2.230 1.00 0.00 N ATOM 148 CA ASP A 20 3.633 1.676 3.002 1.00 0.00 C ATOM 149 C ASP A 20 5.069 2.224 2.771 1.00 0.00 C ATOM 150 O ASP A 20 6.046 1.546 3.114 1.00 0.00 O ATOM 151 CB ASP A 20 3.330 1.433 4.511 1.00 0.00 C ATOM 152 CG ASP A 20 3.364 2.684 5.408 1.00 0.00 C ATOM 153 OD1 ASP A 20 2.861 3.754 4.995 1.00 0.00 O ATOM 154 OD2 ASP A 20 3.893 2.599 6.537 1.00 0.00 O ATOM 0 H ASP A 20 4.437 -0.065 2.131 1.00 0.00 H new ATOM 0 HA ASP A 20 2.893 2.404 2.669 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.345 0.974 4.596 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.051 0.712 4.896 1.00 0.00 H new ATOM 155 N ILE A 21 5.190 3.452 2.221 1.00 0.00 N ATOM 156 CA ILE A 21 6.514 4.103 1.982 1.00 0.00 C ATOM 157 C ILE A 21 6.589 5.514 2.676 1.00 0.00 C ATOM 158 O ILE A 21 5.750 6.372 2.373 1.00 0.00 O ATOM 159 CB ILE A 21 6.978 4.083 0.484 1.00 0.00 C ATOM 160 CG1 ILE A 21 8.444 4.608 0.343 1.00 0.00 C ATOM 161 CG2 ILE A 21 6.002 4.765 -0.510 1.00 0.00 C ATOM 162 CD1 ILE A 21 9.180 4.352 -0.975 1.00 0.00 C ATOM 0 H ILE A 21 4.393 4.019 1.932 1.00 0.00 H new ATOM 0 HA ILE A 21 7.265 3.483 2.472 1.00 0.00 H new ATOM 0 HB ILE A 21 6.961 3.035 0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.430 5.685 0.513 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.035 4.166 1.146 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.408 4.701 -1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.036 4.262 -0.475 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.876 5.812 -0.235 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.183 4.775 -0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.248 3.278 -1.151 1.00 0.00 H new ATOM 0 HD13 ILE A 21 8.634 4.820 -1.794 1.00 0.00 H new ATOM 163 N PRO A 22 7.626 5.824 3.521 1.00 0.00 N ATOM 164 CA PRO A 22 7.971 7.214 3.956 1.00 0.00 C ATOM 165 C PRO A 22 8.322 8.250 2.838 1.00 0.00 C ATOM 166 O PRO A 22 8.217 7.984 1.640 1.00 0.00 O ATOM 167 CB PRO A 22 9.165 6.952 4.915 1.00 0.00 C ATOM 168 CG PRO A 22 9.047 5.506 5.374 1.00 0.00 C ATOM 169 CD PRO A 22 8.503 4.806 4.135 1.00 0.00 C ATOM 0 HA PRO A 22 7.105 7.708 4.397 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.114 7.120 4.406 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.134 7.632 5.766 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.010 5.098 5.680 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.374 5.405 6.225 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.304 4.506 3.459 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.950 3.903 4.394 1.00 0.00 H new ATOM 170 N SER A 23 8.738 9.444 3.289 1.00 0.00 N ATOM 171 CA SER A 23 9.151 10.600 2.438 1.00 0.00 C ATOM 172 C SER A 23 7.931 11.466 1.995 1.00 0.00 C ATOM 173 O SER A 23 7.635 11.604 0.805 1.00 0.00 O ATOM 174 CB SER A 23 10.145 10.287 1.285 1.00 0.00 C ATOM 175 OG SER A 23 11.257 9.528 1.746 1.00 0.00 O ATOM 0 H SER A 23 8.803 9.650 4.286 1.00 0.00 H new ATOM 0 HA SER A 23 9.761 11.212 3.102 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.629 9.737 0.498 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.497 11.219 0.844 1.00 0.00 H new ATOM 0 HG SER A 23 11.862 9.346 0.997 1.00 0.00 H new ATOM 176 N PHE A 24 7.235 12.045 2.987 1.00 0.00 N ATOM 177 CA PHE A 24 6.008 12.854 2.784 1.00 0.00 C ATOM 178 C PHE A 24 5.694 13.575 4.120 1.00 0.00 C ATOM 179 O PHE A 24 5.495 12.931 5.158 1.00 0.00 O ATOM 180 CB PHE A 24 4.768 12.100 2.204 1.00 0.00 C ATOM 181 CG PHE A 24 4.091 10.886 2.903 1.00 0.00 C ATOM 182 CD1 PHE A 24 4.757 9.994 3.757 1.00 0.00 C ATOM 183 CD2 PHE A 24 2.751 10.631 2.576 1.00 0.00 C ATOM 184 CE1 PHE A 24 4.095 8.885 4.279 1.00 0.00 C ATOM 185 CE2 PHE A 24 2.090 9.523 3.100 1.00 0.00 C ATOM 186 CZ PHE A 24 2.764 8.652 3.949 1.00 0.00 C ATOM 0 H PHE A 24 7.507 11.967 3.967 1.00 0.00 H new ATOM 0 HA PHE A 24 6.222 13.567 1.988 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.988 12.850 2.071 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.055 11.759 1.209 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.792 10.169 4.012 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.226 11.301 1.911 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.615 8.207 4.939 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.056 9.340 2.848 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.252 7.791 4.354 1.00 0.00 H new ATOM 187 N GLN A 25 5.653 14.921 4.078 1.00 0.00 N ATOM 188 CA GLN A 25 5.486 15.771 5.286 1.00 0.00 C ATOM 189 C GLN A 25 3.977 15.816 5.674 1.00 0.00 C ATOM 190 O GLN A 25 3.169 16.489 5.025 1.00 0.00 O ATOM 191 CB GLN A 25 6.071 17.196 5.057 1.00 0.00 C ATOM 192 CG GLN A 25 7.613 17.327 4.984 1.00 0.00 C ATOM 193 CD GLN A 25 8.261 16.905 3.651 1.00 0.00 C ATOM 194 OE1 GLN A 25 8.671 15.757 3.469 1.00 0.00 O ATOM 195 NE2 GLN A 25 8.380 17.818 2.700 1.00 0.00 N ATOM 0 H GLN A 25 5.734 15.454 3.212 1.00 0.00 H new ATOM 0 HA GLN A 25 6.046 15.337 6.115 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.655 17.586 4.128 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.715 17.840 5.861 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.880 18.365 5.183 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.048 16.727 5.783 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.038 18.766 2.858 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.813 17.573 1.810 1.00 0.00 H new ATOM 196 N MET A 26 3.625 15.048 6.717 1.00 0.00 N ATOM 197 CA MET A 26 2.215 14.794 7.113 1.00 0.00 C ATOM 198 C MET A 26 1.749 15.799 8.202 1.00 0.00 C ATOM 199 O MET A 26 2.393 15.946 9.247 1.00 0.00 O ATOM 200 CB MET A 26 2.032 13.306 7.534 1.00 0.00 C ATOM 201 CG MET A 26 2.842 12.799 8.744 1.00 0.00 C ATOM 202 SD MET A 26 2.590 11.024 8.957 1.00 0.00 S ATOM 203 CE MET A 26 3.868 10.664 10.179 1.00 0.00 C ATOM 0 H MET A 26 4.306 14.581 7.316 1.00 0.00 H new ATOM 0 HA MET A 26 1.567 14.962 6.253 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.975 13.145 7.747 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.283 12.682 6.677 1.00 0.00 H new ATOM 0 HG2 MET A 26 3.901 13.009 8.596 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.535 13.329 9.646 1.00 0.00 H new ATOM 0 HE1 MET A 26 3.849 9.602 10.423 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.845 10.925 9.772 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.683 11.247 11.081 1.00 0.00 H new ATOM 204 N SER A 27 0.612 16.470 7.941 1.00 0.00 N ATOM 205 CA SER A 27 -0.044 17.376 8.921 1.00 0.00 C ATOM 206 C SER A 27 -1.400 16.719 9.306 1.00 0.00 C ATOM 207 O SER A 27 -1.405 15.813 10.148 1.00 0.00 O ATOM 208 CB SER A 27 -0.085 18.825 8.368 1.00 0.00 C ATOM 209 OG SER A 27 1.227 19.343 8.178 1.00 0.00 O ATOM 0 H SER A 27 0.118 16.405 7.051 1.00 0.00 H new ATOM 0 HA SER A 27 0.510 17.494 9.852 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.625 18.840 7.421 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.634 19.465 9.059 1.00 0.00 H new ATOM 0 HG SER A 27 1.170 20.256 7.827 1.00 0.00 H new ATOM 210 N ASP A 28 -2.523 17.125 8.684 1.00 0.00 N ATOM 211 CA ASP A 28 -3.831 16.416 8.799 1.00 0.00 C ATOM 212 C ASP A 28 -4.692 16.684 7.523 1.00 0.00 C ATOM 213 O ASP A 28 -5.782 17.261 7.604 1.00 0.00 O ATOM 214 CB ASP A 28 -4.553 16.696 10.155 1.00 0.00 C ATOM 215 CG ASP A 28 -4.839 18.164 10.526 1.00 0.00 C ATOM 216 OD1 ASP A 28 -3.959 18.815 11.132 1.00 0.00 O ATOM 217 OD2 ASP A 28 -5.940 18.668 10.217 1.00 0.00 O ATOM 0 H ASP A 28 -2.559 17.951 8.087 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.653 15.341 8.832 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.503 16.162 10.145 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.950 16.260 10.952 1.00 0.00 H new ATOM 218 N ASP A 29 -4.196 16.258 6.337 1.00 0.00 N ATOM 219 CA ASP A 29 -4.883 16.490 5.035 1.00 0.00 C ATOM 220 C ASP A 29 -4.364 15.495 3.951 1.00 0.00 C ATOM 221 O ASP A 29 -3.714 15.899 2.979 1.00 0.00 O ATOM 222 CB ASP A 29 -4.848 17.993 4.596 1.00 0.00 C ATOM 223 CG ASP A 29 -3.471 18.659 4.407 1.00 0.00 C ATOM 224 OD1 ASP A 29 -2.887 19.137 5.407 1.00 0.00 O ATOM 225 OD2 ASP A 29 -2.969 18.704 3.260 1.00 0.00 O ATOM 0 H ASP A 29 -3.317 15.748 6.251 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.943 16.274 5.167 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.393 18.079 3.656 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.399 18.571 5.338 1.00 0.00 H new ATOM 226 N ILE A 30 -4.659 14.186 4.113 1.00 0.00 N ATOM 227 CA ILE A 30 -4.265 13.135 3.129 1.00 0.00 C ATOM 228 C ILE A 30 -5.531 12.244 2.966 1.00 0.00 C ATOM 229 O ILE A 30 -5.765 11.323 3.760 1.00 0.00 O ATOM 230 CB ILE A 30 -2.949 12.347 3.504 1.00 0.00 C ATOM 231 CG1 ILE A 30 -1.709 13.270 3.742 1.00 0.00 C ATOM 232 CG2 ILE A 30 -2.612 11.297 2.411 1.00 0.00 C ATOM 233 CD1 ILE A 30 -0.471 12.604 4.368 1.00 0.00 C ATOM 0 H ILE A 30 -5.171 13.824 4.918 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.972 13.577 2.177 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.161 11.851 4.451 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.417 13.703 2.785 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.015 14.095 4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.702 10.764 2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.435 10.588 2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.462 11.801 1.456 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.321 13.344 4.483 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.732 12.197 5.345 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.124 11.799 3.720 1.00 0.00 H new ATOM 234 N ASP A 31 -6.333 12.533 1.925 1.00 0.00 N ATOM 235 CA ASP A 31 -7.585 11.779 1.616 1.00 0.00 C ATOM 236 C ASP A 31 -7.361 10.580 0.647 1.00 0.00 C ATOM 237 O ASP A 31 -7.909 9.502 0.896 1.00 0.00 O ATOM 238 CB ASP A 31 -8.650 12.761 1.053 1.00 0.00 C ATOM 239 CG ASP A 31 -10.103 12.259 1.110 1.00 0.00 C ATOM 240 OD1 ASP A 31 -10.499 11.442 0.248 1.00 0.00 O ATOM 241 OD2 ASP A 31 -10.848 12.679 2.021 1.00 0.00 O ATOM 0 H ASP A 31 -6.142 13.291 1.270 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.941 11.339 2.548 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.585 13.698 1.606 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.401 12.985 0.016 1.00 0.00 H new ATOM 242 N ASP A 32 -6.639 10.794 -0.472 1.00 0.00 N ATOM 243 CA ASP A 32 -6.552 9.817 -1.586 1.00 0.00 C ATOM 244 C ASP A 32 -5.280 8.928 -1.446 1.00 0.00 C ATOM 245 O ASP A 32 -4.155 9.426 -1.335 1.00 0.00 O ATOM 246 CB ASP A 32 -6.589 10.629 -2.908 1.00 0.00 C ATOM 247 CG ASP A 32 -6.491 9.910 -4.268 1.00 0.00 C ATOM 248 OD1 ASP A 32 -6.323 8.672 -4.342 1.00 0.00 O ATOM 249 OD2 ASP A 32 -6.588 10.615 -5.292 1.00 0.00 O ATOM 0 H ASP A 32 -6.100 11.645 -0.632 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.390 9.120 -1.573 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.519 11.198 -2.911 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.773 11.351 -2.866 1.00 0.00 H new ATOM 250 N ILE A 33 -5.514 7.601 -1.492 1.00 0.00 N ATOM 251 CA ILE A 33 -4.444 6.569 -1.392 1.00 0.00 C ATOM 252 C ILE A 33 -4.641 5.671 -2.643 1.00 0.00 C ATOM 253 O ILE A 33 -5.647 4.966 -2.726 1.00 0.00 O ATOM 254 CB ILE A 33 -4.525 5.718 -0.065 1.00 0.00 C ATOM 255 CG1 ILE A 33 -4.624 6.532 1.261 1.00 0.00 C ATOM 256 CG2 ILE A 33 -3.347 4.712 0.029 1.00 0.00 C ATOM 257 CD1 ILE A 33 -6.057 6.862 1.713 1.00 0.00 C ATOM 0 H ILE A 33 -6.449 7.207 -1.599 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.460 7.036 -1.357 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.476 5.192 -0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.129 5.970 2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.073 7.465 1.140 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.430 4.140 0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.380 4.032 -0.822 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.403 5.256 0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.024 7.429 2.643 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.554 7.454 0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.611 5.937 1.872 1.00 0.00 H new ATOM 258 N LYS A 34 -3.682 5.685 -3.586 1.00 0.00 N ATOM 259 CA LYS A 34 -3.834 4.986 -4.893 1.00 0.00 C ATOM 260 C LYS A 34 -2.665 4.006 -5.163 1.00 0.00 C ATOM 261 O LYS A 34 -1.499 4.301 -4.917 1.00 0.00 O ATOM 262 CB LYS A 34 -4.010 6.065 -6.006 1.00 0.00 C ATOM 263 CG LYS A 34 -4.436 5.547 -7.404 1.00 0.00 C ATOM 264 CD LYS A 34 -3.443 5.820 -8.552 1.00 0.00 C ATOM 265 CE LYS A 34 -2.126 5.032 -8.457 1.00 0.00 C ATOM 266 NZ LYS A 34 -1.225 5.377 -9.564 1.00 0.00 N ATOM 0 H LYS A 34 -2.791 6.170 -3.476 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.723 4.355 -4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.753 6.787 -5.668 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.068 6.603 -6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.599 4.471 -7.338 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.394 5.999 -7.662 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.927 5.581 -9.499 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.214 6.885 -8.571 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.638 5.246 -7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.336 3.963 -8.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.239 5.324 -9.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.367 4.709 -10.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.430 6.343 -9.891 1.00 0.00 H new ATOM 267 N TRP A 35 -3.038 2.827 -5.697 1.00 0.00 N ATOM 268 CA TRP A 35 -2.140 1.669 -5.904 1.00 0.00 C ATOM 269 C TRP A 35 -2.753 0.856 -7.097 1.00 0.00 C ATOM 270 O TRP A 35 -3.895 0.370 -7.029 1.00 0.00 O ATOM 271 CB TRP A 35 -2.028 0.822 -4.601 1.00 0.00 C ATOM 272 CG TRP A 35 -1.071 1.380 -3.522 1.00 0.00 C ATOM 273 CD1 TRP A 35 -1.391 2.009 -2.317 1.00 0.00 C ATOM 274 CD2 TRP A 35 0.285 1.259 -3.477 1.00 0.00 C ATOM 275 NE1 TRP A 35 -0.279 2.274 -1.505 1.00 0.00 N ATOM 276 CE2 TRP A 35 0.769 1.823 -2.272 1.00 0.00 C ATOM 277 CE3 TRP A 35 1.127 0.540 -4.317 1.00 0.00 C ATOM 278 CZ2 TRP A 35 2.145 1.740 -1.945 1.00 0.00 C ATOM 279 CZ3 TRP A 35 2.484 0.448 -3.987 1.00 0.00 C ATOM 280 CH2 TRP A 35 2.982 1.053 -2.827 1.00 0.00 C ATOM 0 H TRP A 35 -3.994 2.647 -6.004 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.122 1.976 -6.141 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.022 0.726 -4.165 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -1.699 -0.182 -4.869 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.401 2.267 -2.036 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.254 2.696 -0.577 1.00 0.00 H new ATOM 0 HE3 TRP A 35 0.742 0.062 -5.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.533 2.192 -1.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 3.155 -0.096 -4.635 1.00 0.00 H new ATOM 0 HH2 TRP A 35 4.038 0.987 -2.609 1.00 0.00 H new ATOM 281 N GLU A 36 -1.979 0.735 -8.193 1.00 0.00 N ATOM 282 CA GLU A 36 -2.416 0.064 -9.459 1.00 0.00 C ATOM 283 C GLU A 36 -1.333 -0.920 -10.002 1.00 0.00 C ATOM 284 O GLU A 36 -0.143 -0.730 -9.735 1.00 0.00 O ATOM 285 CB GLU A 36 -2.855 1.115 -10.520 1.00 0.00 C ATOM 286 CG GLU A 36 -1.762 1.975 -11.194 1.00 0.00 C ATOM 287 CD GLU A 36 -2.327 2.819 -12.340 1.00 0.00 C ATOM 288 OE1 GLU A 36 -2.389 2.317 -13.485 1.00 0.00 O ATOM 289 OE2 GLU A 36 -2.720 3.983 -12.101 1.00 0.00 O ATOM 0 H GLU A 36 -1.027 1.098 -8.238 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.289 -0.547 -9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.396 0.588 -11.306 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.564 1.792 -10.044 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.306 2.630 -10.452 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.973 1.327 -11.575 1.00 0.00 H new ATOM 290 N LYS A 37 -1.722 -1.951 -10.791 1.00 0.00 N ATOM 291 CA LYS A 37 -0.760 -3.016 -11.233 1.00 0.00 C ATOM 292 C LYS A 37 -0.087 -2.654 -12.582 1.00 0.00 C ATOM 293 O LYS A 37 -0.753 -2.132 -13.482 1.00 0.00 O ATOM 294 CB LYS A 37 -1.415 -4.423 -11.332 1.00 0.00 C ATOM 295 CG LYS A 37 -2.141 -4.889 -10.051 1.00 0.00 C ATOM 296 CD LYS A 37 -2.360 -6.407 -9.869 1.00 0.00 C ATOM 297 CE LYS A 37 -3.406 -7.083 -10.775 1.00 0.00 C ATOM 298 NZ LYS A 37 -2.953 -7.286 -12.164 1.00 0.00 N ATOM 0 H LYS A 37 -2.674 -2.076 -11.134 1.00 0.00 H new ATOM 0 HA LYS A 37 0.003 -3.062 -10.456 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.128 -4.420 -12.156 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.643 -5.151 -11.581 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.576 -4.525 -9.193 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.116 -4.402 -10.021 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.404 -6.907 -10.026 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.646 -6.585 -8.832 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.674 -8.049 -10.346 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.311 -6.476 -10.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.625 -7.905 -12.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.903 -6.368 -12.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.012 -7.728 -12.161 1.00 0.00 H new ATOM 299 N THR A 38 1.221 -2.954 -12.745 1.00 0.00 N ATOM 300 CA THR A 38 1.936 -2.663 -14.035 1.00 0.00 C ATOM 301 C THR A 38 1.700 -3.679 -15.207 1.00 0.00 C ATOM 302 O THR A 38 2.012 -3.337 -16.353 1.00 0.00 O ATOM 303 CB THR A 38 3.456 -2.383 -13.832 1.00 0.00 C ATOM 304 OG1 THR A 38 4.138 -3.572 -13.454 1.00 0.00 O ATOM 305 CG2 THR A 38 3.790 -1.263 -12.827 1.00 0.00 C ATOM 0 H THR A 38 1.802 -3.387 -12.027 1.00 0.00 H new ATOM 0 HA THR A 38 1.452 -1.746 -14.370 1.00 0.00 H new ATOM 0 HB THR A 38 3.800 -2.026 -14.803 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.091 -3.378 -13.333 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.872 -1.147 -12.758 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.345 -0.327 -13.164 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.390 -1.522 -11.847 1.00 0.00 H new ATOM 306 N SER A 39 1.139 -4.884 -14.952 1.00 0.00 N ATOM 307 CA SER A 39 0.831 -5.899 -15.998 1.00 0.00 C ATOM 308 C SER A 39 -0.225 -5.433 -17.048 1.00 0.00 C ATOM 309 O SER A 39 0.115 -5.340 -18.231 1.00 0.00 O ATOM 310 CB SER A 39 0.429 -7.244 -15.338 1.00 0.00 C ATOM 311 OG SER A 39 1.479 -7.763 -14.530 1.00 0.00 O ATOM 0 H SER A 39 0.884 -5.185 -14.011 1.00 0.00 H new ATOM 0 HA SER A 39 1.748 -6.041 -16.570 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.463 -7.099 -14.728 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.172 -7.968 -16.112 1.00 0.00 H new ATOM 0 HG SER A 39 1.194 -8.610 -14.127 1.00 0.00 H new ATOM 312 N ASP A 40 -1.470 -5.127 -16.621 1.00 0.00 N ATOM 313 CA ASP A 40 -2.538 -4.586 -17.515 1.00 0.00 C ATOM 314 C ASP A 40 -2.974 -3.105 -17.202 1.00 0.00 C ATOM 315 O ASP A 40 -4.036 -2.680 -17.664 1.00 0.00 O ATOM 316 CB ASP A 40 -3.717 -5.602 -17.453 1.00 0.00 C ATOM 317 CG ASP A 40 -4.753 -5.483 -18.581 1.00 0.00 C ATOM 318 OD1 ASP A 40 -4.424 -5.807 -19.745 1.00 0.00 O ATOM 319 OD2 ASP A 40 -5.898 -5.065 -18.308 1.00 0.00 O ATOM 0 H ASP A 40 -1.770 -5.244 -15.653 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.151 -4.496 -18.530 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.305 -6.611 -17.467 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.229 -5.480 -16.499 1.00 0.00 H new ATOM 320 N LYS A 41 -2.168 -2.300 -16.461 1.00 0.00 N ATOM 321 CA LYS A 41 -2.507 -0.891 -16.063 1.00 0.00 C ATOM 322 C LYS A 41 -3.789 -0.815 -15.178 1.00 0.00 C ATOM 323 O LYS A 41 -4.798 -0.205 -15.550 1.00 0.00 O ATOM 324 CB LYS A 41 -2.487 0.101 -17.267 1.00 0.00 C ATOM 325 CG LYS A 41 -1.160 0.098 -18.049 1.00 0.00 C ATOM 326 CD LYS A 41 -1.145 0.996 -19.305 1.00 0.00 C ATOM 327 CE LYS A 41 0.125 0.862 -20.174 1.00 0.00 C ATOM 328 NZ LYS A 41 1.345 1.396 -19.536 1.00 0.00 N ATOM 0 H LYS A 41 -1.257 -2.604 -16.117 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.702 -0.542 -15.416 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.300 -0.151 -17.948 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.680 1.109 -16.899 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.361 0.419 -17.381 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.934 -0.925 -18.349 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.015 0.758 -19.917 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.249 2.036 -18.994 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.282 -0.190 -20.411 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.036 1.381 -21.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.155 1.272 -20.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.216 2.408 -19.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.524 0.885 -18.648 1.00 0.00 H new ATOM 329 N LYS A 42 -3.740 -1.530 -14.037 1.00 0.00 N ATOM 330 CA LYS A 42 -4.968 -2.054 -13.379 1.00 0.00 C ATOM 331 C LYS A 42 -5.349 -1.204 -12.147 1.00 0.00 C ATOM 332 O LYS A 42 -4.887 -1.466 -11.032 1.00 0.00 O ATOM 333 CB LYS A 42 -4.824 -3.572 -13.065 1.00 0.00 C ATOM 334 CG LYS A 42 -6.156 -4.323 -12.829 1.00 0.00 C ATOM 335 CD LYS A 42 -6.950 -4.642 -14.119 1.00 0.00 C ATOM 336 CE LYS A 42 -8.258 -5.419 -13.889 1.00 0.00 C ATOM 337 NZ LYS A 42 -9.325 -4.601 -13.281 1.00 0.00 N ATOM 0 H LYS A 42 -2.874 -1.760 -13.550 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.804 -1.963 -14.073 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.297 -4.050 -13.891 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.199 -3.686 -12.180 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.945 -5.256 -12.307 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.784 -3.724 -12.169 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.183 -3.706 -14.628 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.313 -5.219 -14.789 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.611 -5.813 -14.842 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.055 -6.275 -13.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.178 -5.182 -13.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.006 -4.246 -12.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.544 -3.798 -13.904 1.00 0.00 H new ATOM 338 N LYS A 43 -6.225 -0.203 -12.361 1.00 0.00 N ATOM 339 CA LYS A 43 -6.707 0.701 -11.282 1.00 0.00 C ATOM 340 C LYS A 43 -7.818 -0.023 -10.477 1.00 0.00 C ATOM 341 O LYS A 43 -8.964 -0.138 -10.917 1.00 0.00 O ATOM 342 CB LYS A 43 -7.162 2.057 -11.881 1.00 0.00 C ATOM 343 CG LYS A 43 -5.985 2.936 -12.372 1.00 0.00 C ATOM 344 CD LYS A 43 -6.367 4.185 -13.192 1.00 0.00 C ATOM 345 CE LYS A 43 -6.885 3.862 -14.608 1.00 0.00 C ATOM 346 NZ LYS A 43 -7.107 5.084 -15.398 1.00 0.00 N ATOM 0 H LYS A 43 -6.620 0.006 -13.278 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.902 0.936 -10.586 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.839 1.869 -12.715 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.728 2.607 -11.129 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.412 3.258 -11.503 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.324 2.317 -12.978 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.133 4.742 -12.653 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.496 4.836 -13.273 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.167 3.222 -15.121 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.817 3.301 -14.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.455 4.827 -16.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.811 5.683 -14.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.212 5.606 -15.488 1.00 0.00 H new ATOM 347 N ILE A 44 -7.406 -0.551 -9.315 1.00 0.00 N ATOM 348 CA ILE A 44 -8.241 -1.426 -8.446 1.00 0.00 C ATOM 349 C ILE A 44 -8.107 -1.053 -6.936 1.00 0.00 C ATOM 350 O ILE A 44 -9.118 -1.132 -6.234 1.00 0.00 O ATOM 351 CB ILE A 44 -8.043 -2.959 -8.744 1.00 0.00 C ATOM 352 CG1 ILE A 44 -9.127 -3.820 -8.020 1.00 0.00 C ATOM 353 CG2 ILE A 44 -6.608 -3.483 -8.465 1.00 0.00 C ATOM 354 CD1 ILE A 44 -9.249 -5.288 -8.455 1.00 0.00 C ATOM 0 H ILE A 44 -6.473 -0.386 -8.938 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.280 -1.228 -8.708 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.178 -3.069 -9.820 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.919 -3.799 -6.950 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.095 -3.341 -8.166 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.558 -4.547 -8.696 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.896 -2.942 -9.088 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.362 -3.328 -7.415 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.035 -5.774 -7.878 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.496 -5.334 -9.516 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.302 -5.799 -8.281 1.00 0.00 H new ATOM 355 N ALA A 45 -6.904 -0.720 -6.421 1.00 0.00 N ATOM 356 CA ALA A 45 -6.648 -0.589 -4.982 1.00 0.00 C ATOM 357 C ALA A 45 -6.510 0.902 -4.650 1.00 0.00 C ATOM 358 O ALA A 45 -5.419 1.475 -4.653 1.00 0.00 O ATOM 359 CB ALA A 45 -5.363 -1.383 -4.746 1.00 0.00 C ATOM 0 H ALA A 45 -6.084 -0.535 -6.999 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.443 -0.971 -4.341 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.097 -1.338 -3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.518 -2.422 -5.038 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.557 -0.956 -5.342 1.00 0.00 H new ATOM 360 N GLN A 46 -7.667 1.529 -4.442 1.00 0.00 N ATOM 361 CA GLN A 46 -7.791 2.986 -4.581 1.00 0.00 C ATOM 362 C GLN A 46 -8.909 3.464 -3.622 1.00 0.00 C ATOM 363 O GLN A 46 -9.966 2.851 -3.415 1.00 0.00 O ATOM 364 CB GLN A 46 -8.110 3.313 -6.076 1.00 0.00 C ATOM 365 CG GLN A 46 -8.115 4.809 -6.458 1.00 0.00 C ATOM 366 CD GLN A 46 -8.524 5.061 -7.918 1.00 0.00 C ATOM 367 OE1 GLN A 46 -9.673 5.401 -8.206 1.00 0.00 O ATOM 368 NE2 GLN A 46 -7.617 4.900 -8.870 1.00 0.00 N ATOM 0 H GLN A 46 -8.531 1.056 -4.177 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.870 3.505 -4.316 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -7.379 2.801 -6.703 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.087 2.894 -6.318 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.799 5.343 -5.799 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -7.121 5.223 -6.289 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.667 4.619 -8.627 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.868 5.058 -9.846 1.00 0.00 H new ATOM 369 N PHE A 47 -8.608 4.641 -3.086 1.00 0.00 N ATOM 370 CA PHE A 47 -9.517 5.410 -2.231 1.00 0.00 C ATOM 371 C PHE A 47 -9.562 6.820 -2.817 1.00 0.00 C ATOM 372 O PHE A 47 -8.530 7.500 -2.849 1.00 0.00 O ATOM 373 CB PHE A 47 -8.939 5.482 -0.802 1.00 0.00 C ATOM 374 CG PHE A 47 -9.134 4.212 0.018 1.00 0.00 C ATOM 375 CD1 PHE A 47 -10.420 3.849 0.424 1.00 0.00 C ATOM 376 CD2 PHE A 47 -8.033 3.489 0.481 1.00 0.00 C ATOM 377 CE1 PHE A 47 -10.601 2.860 1.385 1.00 0.00 C ATOM 378 CE2 PHE A 47 -8.219 2.536 1.468 1.00 0.00 C ATOM 379 CZ PHE A 47 -9.494 2.208 1.918 1.00 0.00 C ATOM 0 H PHE A 47 -7.709 5.100 -3.234 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.506 4.954 -2.189 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.873 5.700 -0.864 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.405 6.315 -0.276 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -11.279 4.339 -0.011 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.049 3.671 0.075 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.596 2.600 1.716 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.361 2.039 1.895 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.624 1.451 2.677 1.00 0.00 H new ATOM 380 N ARG A 48 -10.766 7.258 -3.224 1.00 0.00 N ATOM 381 CA ARG A 48 -11.065 8.698 -3.394 1.00 0.00 C ATOM 382 C ARG A 48 -12.618 8.950 -3.548 1.00 0.00 C ATOM 383 O ARG A 48 -13.441 8.207 -3.002 1.00 0.00 O ATOM 384 CB ARG A 48 -10.165 9.397 -4.487 1.00 0.00 C ATOM 385 CG ARG A 48 -10.128 8.722 -5.878 1.00 0.00 C ATOM 386 CD ARG A 48 -9.511 9.608 -6.974 1.00 0.00 C ATOM 387 NE ARG A 48 -9.156 8.809 -8.169 1.00 0.00 N ATOM 388 CZ ARG A 48 -8.689 9.330 -9.321 1.00 0.00 C ATOM 389 NH1 ARG A 48 -8.564 10.637 -9.548 1.00 0.00 N ATOM 390 NH2 ARG A 48 -8.335 8.495 -10.282 1.00 0.00 N ATOM 0 H ARG A 48 -11.548 6.641 -3.442 1.00 0.00 H new ATOM 0 HA ARG A 48 -10.778 9.204 -2.472 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.514 10.422 -4.613 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.145 9.452 -4.106 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -9.559 7.795 -5.808 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.143 8.452 -6.169 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -10.216 10.391 -7.253 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -8.621 10.104 -6.587 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.273 7.797 -8.117 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.829 11.308 -8.827 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.203 10.967 -10.443 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.419 7.488 -10.140 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.978 8.857 -11.166 1.00 0.00 H new ATOM 391 N LYS A 49 -13.010 10.029 -4.265 1.00 0.00 N ATOM 392 CA LYS A 49 -14.419 10.399 -4.598 1.00 0.00 C ATOM 393 C LYS A 49 -15.319 10.845 -3.398 1.00 0.00 C ATOM 394 O LYS A 49 -16.503 10.495 -3.334 1.00 0.00 O ATOM 395 CB LYS A 49 -15.043 9.324 -5.542 1.00 0.00 C ATOM 396 CG LYS A 49 -16.176 9.849 -6.454 1.00 0.00 C ATOM 397 CD LYS A 49 -16.827 8.746 -7.321 1.00 0.00 C ATOM 398 CE LYS A 49 -17.921 9.247 -8.286 1.00 0.00 C ATOM 399 NZ LYS A 49 -19.165 9.662 -7.611 1.00 0.00 N ATOM 0 H LYS A 49 -12.336 10.694 -4.644 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.373 11.337 -5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -14.254 8.907 -6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.433 8.507 -4.934 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -16.943 10.315 -5.836 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -15.777 10.626 -7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -16.048 8.252 -7.902 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -17.260 7.993 -6.662 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.530 10.089 -8.858 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.152 8.457 -9.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.853 9.986 -8.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.561 8.856 -7.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -18.959 10.437 -6.949 1.00 0.00 H new ATOM 400 N GLU A 50 -14.751 11.622 -2.450 1.00 0.00 N ATOM 401 CA GLU A 50 -15.389 11.972 -1.131 1.00 0.00 C ATOM 402 C GLU A 50 -15.923 10.829 -0.188 1.00 0.00 C ATOM 403 O GLU A 50 -16.497 11.103 0.868 1.00 0.00 O ATOM 404 CB GLU A 50 -16.450 13.099 -1.298 1.00 0.00 C ATOM 405 CG GLU A 50 -15.946 14.440 -1.876 1.00 0.00 C ATOM 406 CD GLU A 50 -17.061 15.479 -2.013 1.00 0.00 C ATOM 407 OE1 GLU A 50 -17.763 15.478 -3.050 1.00 0.00 O ATOM 408 OE2 GLU A 50 -17.243 16.297 -1.085 1.00 0.00 O ATOM 0 H GLU A 50 -13.826 12.036 -2.566 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.518 12.313 -0.571 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -17.245 12.726 -1.944 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -16.897 13.294 -0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.162 14.837 -1.231 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.497 14.264 -2.853 1.00 0.00 H new ATOM 409 N LYS A 51 -15.729 9.570 -0.594 1.00 0.00 N ATOM 410 CA LYS A 51 -16.500 8.369 -0.179 1.00 0.00 C ATOM 411 C LYS A 51 -16.503 7.421 -1.401 1.00 0.00 C ATOM 412 O LYS A 51 -17.208 7.636 -2.391 1.00 0.00 O ATOM 413 CB LYS A 51 -17.938 8.493 0.401 1.00 0.00 C ATOM 414 CG LYS A 51 -18.974 9.330 -0.399 1.00 0.00 C ATOM 415 CD LYS A 51 -20.233 9.736 0.395 1.00 0.00 C ATOM 416 CE LYS A 51 -21.168 10.616 -0.457 1.00 0.00 C ATOM 417 NZ LYS A 51 -22.343 11.082 0.302 1.00 0.00 N ATOM 0 H LYS A 51 -14.991 9.337 -1.258 1.00 0.00 H new ATOM 0 HA LYS A 51 -15.979 8.018 0.711 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -18.340 7.486 0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -17.860 8.923 1.400 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -18.485 10.233 -0.764 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -19.283 8.759 -1.274 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.766 8.842 0.719 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -19.940 10.277 1.295 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -20.613 11.478 -0.829 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -21.501 10.051 -1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -22.942 11.670 -0.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -22.888 10.262 0.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -22.028 11.644 1.119 1.00 0.00 H new ATOM 418 N GLU A 52 -15.692 6.373 -1.250 1.00 0.00 N ATOM 419 CA GLU A 52 -15.638 5.196 -2.170 1.00 0.00 C ATOM 420 C GLU A 52 -14.461 4.308 -1.673 1.00 0.00 C ATOM 421 O GLU A 52 -13.288 4.679 -1.807 1.00 0.00 O ATOM 422 CB GLU A 52 -15.497 5.485 -3.703 1.00 0.00 C ATOM 423 CG GLU A 52 -15.676 4.248 -4.614 1.00 0.00 C ATOM 424 CD GLU A 52 -15.652 4.598 -6.102 1.00 0.00 C ATOM 425 OE1 GLU A 52 -16.692 5.047 -6.637 1.00 0.00 O ATOM 426 OE2 GLU A 52 -14.597 4.425 -6.749 1.00 0.00 O ATOM 0 H GLU A 52 -15.034 6.300 -0.474 1.00 0.00 H new ATOM 0 HA GLU A 52 -16.614 4.713 -2.117 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -16.233 6.237 -3.986 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -14.513 5.916 -3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -14.885 3.529 -4.402 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -16.621 3.761 -4.375 1.00 0.00 H new ATOM 427 N THR A 53 -14.798 3.114 -1.152 1.00 0.00 N ATOM 428 CA THR A 53 -13.802 2.067 -0.783 1.00 0.00 C ATOM 429 C THR A 53 -13.733 1.069 -1.970 1.00 0.00 C ATOM 430 O THR A 53 -14.667 0.283 -2.157 1.00 0.00 O ATOM 431 CB THR A 53 -14.219 1.400 0.563 1.00 0.00 C ATOM 432 OG1 THR A 53 -14.207 2.369 1.609 1.00 0.00 O ATOM 433 CG2 THR A 53 -13.326 0.230 1.017 1.00 0.00 C ATOM 0 H THR A 53 -15.764 2.839 -0.972 1.00 0.00 H new ATOM 0 HA THR A 53 -12.807 2.479 -0.617 1.00 0.00 H new ATOM 0 HB THR A 53 -15.213 0.996 0.371 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.471 1.944 2.452 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.698 -0.166 1.962 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.344 -0.556 0.262 1.00 0.00 H new ATOM 0 HG23 THR A 53 -12.303 0.583 1.149 1.00 0.00 H new ATOM 434 N PHE A 54 -12.627 1.093 -2.745 1.00 0.00 N ATOM 435 CA PHE A 54 -12.426 0.131 -3.861 1.00 0.00 C ATOM 436 C PHE A 54 -11.123 -0.656 -3.566 1.00 0.00 C ATOM 437 O PHE A 54 -10.020 -0.148 -3.783 1.00 0.00 O ATOM 438 CB PHE A 54 -12.449 0.907 -5.212 1.00 0.00 C ATOM 439 CG PHE A 54 -12.643 0.073 -6.495 1.00 0.00 C ATOM 440 CD1 PHE A 54 -13.769 -0.747 -6.651 1.00 0.00 C ATOM 441 CD2 PHE A 54 -11.751 0.211 -7.564 1.00 0.00 C ATOM 442 CE1 PHE A 54 -13.986 -1.430 -7.845 1.00 0.00 C ATOM 443 CE2 PHE A 54 -11.977 -0.461 -8.763 1.00 0.00 C ATOM 444 CZ PHE A 54 -13.091 -1.286 -8.900 1.00 0.00 C ATOM 0 H PHE A 54 -11.864 1.759 -2.624 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.224 -0.606 -3.946 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -13.248 1.646 -5.164 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -11.512 1.456 -5.303 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.474 -0.850 -5.839 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -10.881 0.843 -7.459 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -14.849 -2.071 -7.952 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -11.288 -0.342 -9.587 1.00 0.00 H new ATOM 0 HZ PHE A 54 -13.260 -1.815 -9.827 1.00 0.00 H new ATOM 445 N LYS A 55 -11.265 -1.885 -3.035 1.00 0.00 N ATOM 446 CA LYS A 55 -10.119 -2.781 -2.699 1.00 0.00 C ATOM 447 C LYS A 55 -10.522 -4.288 -2.708 1.00 0.00 C ATOM 448 O LYS A 55 -9.852 -5.083 -3.375 1.00 0.00 O ATOM 449 CB LYS A 55 -9.290 -2.336 -1.453 1.00 0.00 C ATOM 450 CG LYS A 55 -9.969 -2.037 -0.092 1.00 0.00 C ATOM 451 CD LYS A 55 -10.455 -3.263 0.714 1.00 0.00 C ATOM 452 CE LYS A 55 -10.439 -3.095 2.247 1.00 0.00 C ATOM 453 NZ LYS A 55 -11.536 -2.258 2.761 1.00 0.00 N ATOM 0 H LYS A 55 -12.175 -2.294 -2.823 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.406 -2.665 -3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.548 -3.114 -1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.746 -1.436 -1.740 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.266 -1.478 0.526 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.824 -1.385 -0.272 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.472 -3.502 0.402 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.832 -4.119 0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.496 -4.079 2.712 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.487 -2.655 2.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.464 -2.188 3.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.472 -1.307 2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.449 -2.687 2.506 1.00 0.00 H new ATOM 454 N GLU A 56 -11.609 -4.679 -1.999 1.00 0.00 N ATOM 455 CA GLU A 56 -12.209 -6.045 -2.008 1.00 0.00 C ATOM 456 C GLU A 56 -11.358 -7.085 -1.209 1.00 0.00 C ATOM 457 O GLU A 56 -10.172 -7.267 -1.494 1.00 0.00 O ATOM 458 CB GLU A 56 -12.651 -6.513 -3.433 1.00 0.00 C ATOM 459 CG GLU A 56 -13.967 -7.322 -3.522 1.00 0.00 C ATOM 460 CD GLU A 56 -13.826 -8.825 -3.288 1.00 0.00 C ATOM 461 OE1 GLU A 56 -13.427 -9.548 -4.231 1.00 0.00 O ATOM 462 OE2 GLU A 56 -14.120 -9.300 -2.168 1.00 0.00 O ATOM 0 H GLU A 56 -12.111 -4.037 -1.385 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.144 -5.976 -1.453 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.751 -5.631 -4.065 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.850 -7.119 -3.856 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.670 -6.922 -2.792 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.406 -7.164 -4.507 1.00 0.00 H new ATOM 463 N LYS A 57 -11.989 -7.761 -0.222 1.00 0.00 N ATOM 464 CA LYS A 57 -11.377 -8.841 0.616 1.00 0.00 C ATOM 465 C LYS A 57 -10.129 -8.445 1.476 1.00 0.00 C ATOM 466 O LYS A 57 -9.472 -7.427 1.223 1.00 0.00 O ATOM 467 CB LYS A 57 -11.308 -10.232 -0.099 1.00 0.00 C ATOM 468 CG LYS A 57 -10.208 -10.500 -1.156 1.00 0.00 C ATOM 469 CD LYS A 57 -10.626 -10.266 -2.624 1.00 0.00 C ATOM 470 CE LYS A 57 -9.468 -10.394 -3.630 1.00 0.00 C ATOM 471 NZ LYS A 57 -9.880 -9.938 -4.972 1.00 0.00 N ATOM 0 H LYS A 57 -12.960 -7.573 0.027 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.111 -8.986 1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.206 -10.991 0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.271 -10.397 -0.582 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.352 -9.862 -0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.872 -11.532 -1.052 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.405 -10.981 -2.888 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.063 -9.272 -2.713 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.617 -9.805 -3.287 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.138 -11.432 -3.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.082 -10.034 -5.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.677 -10.517 -5.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.172 -8.941 -4.925 1.00 0.00 H new ATOM 472 N ASP A 58 -9.788 -9.262 2.499 1.00 0.00 N ATOM 473 CA ASP A 58 -8.524 -9.082 3.292 1.00 0.00 C ATOM 474 C ASP A 58 -7.198 -9.365 2.539 1.00 0.00 C ATOM 475 O ASP A 58 -6.188 -8.710 2.812 1.00 0.00 O ATOM 476 CB ASP A 58 -8.414 -9.855 4.631 1.00 0.00 C ATOM 477 CG ASP A 58 -9.652 -9.861 5.533 1.00 0.00 C ATOM 478 OD1 ASP A 58 -9.852 -8.880 6.284 1.00 0.00 O ATOM 479 OD2 ASP A 58 -10.428 -10.840 5.491 1.00 0.00 O ATOM 0 H ASP A 58 -10.359 -10.051 2.803 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.637 -8.016 3.491 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.154 -10.889 4.405 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.584 -9.434 5.198 1.00 0.00 H new ATOM 480 N THR A 59 -7.223 -10.338 1.611 1.00 0.00 N ATOM 481 CA THR A 59 -6.084 -10.642 0.692 1.00 0.00 C ATOM 482 C THR A 59 -5.473 -9.430 -0.075 1.00 0.00 C ATOM 483 O THR A 59 -4.301 -9.493 -0.454 1.00 0.00 O ATOM 484 CB THR A 59 -6.362 -11.810 -0.299 1.00 0.00 C ATOM 485 OG1 THR A 59 -7.203 -11.394 -1.370 1.00 0.00 O ATOM 486 CG2 THR A 59 -6.957 -13.095 0.303 1.00 0.00 C ATOM 0 H THR A 59 -8.031 -10.944 1.468 1.00 0.00 H new ATOM 0 HA THR A 59 -5.323 -10.962 1.404 1.00 0.00 H new ATOM 0 HB THR A 59 -5.361 -12.070 -0.644 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.358 -12.148 -1.976 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.104 -13.832 -0.486 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.274 -13.496 1.051 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.915 -12.868 0.771 1.00 0.00 H new ATOM 487 N TYR A 60 -6.252 -8.346 -0.286 1.00 0.00 N ATOM 488 CA TYR A 60 -5.720 -7.056 -0.754 1.00 0.00 C ATOM 489 C TYR A 60 -6.582 -5.921 -0.130 1.00 0.00 C ATOM 490 O TYR A 60 -7.758 -5.748 -0.473 1.00 0.00 O ATOM 491 CB TYR A 60 -5.698 -7.107 -2.303 1.00 0.00 C ATOM 492 CG TYR A 60 -4.801 -6.097 -3.006 1.00 0.00 C ATOM 493 CD1 TYR A 60 -3.518 -5.791 -2.542 1.00 0.00 C ATOM 494 CD2 TYR A 60 -5.275 -5.475 -4.161 1.00 0.00 C ATOM 495 CE1 TYR A 60 -2.774 -4.790 -3.147 1.00 0.00 C ATOM 496 CE2 TYR A 60 -4.503 -4.517 -4.800 1.00 0.00 C ATOM 497 CZ TYR A 60 -3.299 -4.104 -4.233 1.00 0.00 C ATOM 498 OH TYR A 60 -2.675 -2.974 -4.696 1.00 0.00 O ATOM 0 H TYR A 60 -7.261 -8.345 -0.136 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.698 -6.852 -0.436 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.388 -8.107 -2.607 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.717 -6.966 -2.663 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -3.104 -6.338 -1.707 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.244 -5.740 -4.558 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.790 -4.545 -2.775 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.834 -4.091 -5.736 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.243 -3.167 -5.554 1.00 0.00 H new ATOM 499 N LYS A 61 -5.991 -5.202 0.842 1.00 0.00 N ATOM 500 CA LYS A 61 -6.754 -4.442 1.874 1.00 0.00 C ATOM 501 C LYS A 61 -6.011 -3.114 2.166 1.00 0.00 C ATOM 502 O LYS A 61 -5.120 -3.038 3.015 1.00 0.00 O ATOM 503 CB LYS A 61 -6.930 -5.364 3.107 1.00 0.00 C ATOM 504 CG LYS A 61 -7.651 -4.809 4.359 1.00 0.00 C ATOM 505 CD LYS A 61 -7.865 -5.884 5.457 1.00 0.00 C ATOM 506 CE LYS A 61 -7.732 -5.399 6.914 1.00 0.00 C ATOM 507 NZ LYS A 61 -8.771 -4.439 7.324 1.00 0.00 N ATOM 0 H LYS A 61 -4.979 -5.126 0.942 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.753 -4.160 1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.473 -6.251 2.780 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.938 -5.693 3.417 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.069 -3.985 4.772 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.617 -4.400 4.064 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.858 -6.314 5.328 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.146 -6.687 5.296 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.768 -6.263 7.578 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.753 -4.937 7.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.615 -4.160 8.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.725 -3.597 6.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.708 -4.881 7.233 1.00 0.00 H new ATOM 508 N LEU A 62 -6.437 -2.060 1.460 1.00 0.00 N ATOM 509 CA LEU A 62 -5.831 -0.696 1.535 1.00 0.00 C ATOM 510 C LEU A 62 -6.290 -0.038 2.880 1.00 0.00 C ATOM 511 O LEU A 62 -7.477 -0.121 3.221 1.00 0.00 O ATOM 512 CB LEU A 62 -6.219 0.101 0.231 1.00 0.00 C ATOM 513 CG LEU A 62 -5.566 -0.187 -1.168 1.00 0.00 C ATOM 514 CD1 LEU A 62 -4.211 0.491 -1.403 1.00 0.00 C ATOM 515 CD2 LEU A 62 -5.421 -1.659 -1.504 1.00 0.00 C ATOM 0 H LEU A 62 -7.220 -2.115 0.809 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.741 -0.711 1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.295 -0.020 0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.040 1.154 0.446 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.299 0.261 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.842 0.232 -2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.328 1.572 -1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.499 0.151 -0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.961 -1.764 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.793 -2.143 -0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.404 -2.129 -1.511 1.00 0.00 H new ATOM 516 N PHE A 63 -5.375 0.607 3.653 1.00 0.00 N ATOM 517 CA PHE A 63 -5.710 1.171 4.989 1.00 0.00 C ATOM 518 C PHE A 63 -6.616 2.450 4.948 1.00 0.00 C ATOM 519 O PHE A 63 -7.795 2.359 4.605 1.00 0.00 O ATOM 520 CB PHE A 63 -4.347 1.315 5.741 1.00 0.00 C ATOM 521 CG PHE A 63 -4.439 1.474 7.266 1.00 0.00 C ATOM 522 CD1 PHE A 63 -4.967 0.435 8.036 1.00 0.00 C ATOM 523 CD2 PHE A 63 -4.033 2.657 7.893 1.00 0.00 C ATOM 524 CE1 PHE A 63 -5.087 0.573 9.414 1.00 0.00 C ATOM 525 CE2 PHE A 63 -4.149 2.794 9.273 1.00 0.00 C ATOM 526 CZ PHE A 63 -4.673 1.751 10.034 1.00 0.00 C ATOM 0 H PHE A 63 -4.404 0.749 3.375 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.365 0.503 5.548 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.738 0.438 5.522 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.819 2.178 5.336 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.284 -0.480 7.558 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.628 3.467 7.304 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.501 -0.232 10.004 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.833 3.708 9.754 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.759 1.855 11.106 1.00 0.00 H new ATOM 527 N LYS A 64 -6.078 3.602 5.382 1.00 0.00 N ATOM 528 CA LYS A 64 -6.761 4.906 5.481 1.00 0.00 C ATOM 529 C LYS A 64 -5.678 5.864 6.053 1.00 0.00 C ATOM 530 O LYS A 64 -5.369 5.816 7.248 1.00 0.00 O ATOM 531 CB LYS A 64 -8.110 4.954 6.263 1.00 0.00 C ATOM 532 CG LYS A 64 -8.135 4.334 7.681 1.00 0.00 C ATOM 533 CD LYS A 64 -9.552 4.279 8.293 1.00 0.00 C ATOM 534 CE LYS A 64 -9.621 3.641 9.694 1.00 0.00 C ATOM 535 NZ LYS A 64 -9.338 2.191 9.688 1.00 0.00 N ATOM 0 H LYS A 64 -5.107 3.653 5.689 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.123 5.197 4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.414 5.997 6.346 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.866 4.449 5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.725 3.325 7.637 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.485 4.914 8.336 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.949 5.293 8.350 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.202 3.719 7.621 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.908 4.141 10.349 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.612 3.809 10.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.400 1.821 10.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.033 1.704 9.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.381 2.026 9.315 1.00 0.00 H new ATOM 536 N ASN A 65 -5.108 6.690 5.158 1.00 0.00 N ATOM 537 CA ASN A 65 -3.980 7.633 5.391 1.00 0.00 C ATOM 538 C ASN A 65 -2.871 7.390 4.324 1.00 0.00 C ATOM 539 O ASN A 65 -2.522 8.342 3.624 1.00 0.00 O ATOM 540 CB ASN A 65 -3.412 7.869 6.829 1.00 0.00 C ATOM 541 CG ASN A 65 -2.444 9.067 6.977 1.00 0.00 C ATOM 542 OD1 ASN A 65 -1.224 8.908 6.979 1.00 0.00 O ATOM 543 ND2 ASN A 65 -2.966 10.280 7.098 1.00 0.00 N ATOM 0 H ASN A 65 -5.436 6.726 4.193 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.462 8.603 5.272 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.249 8.015 7.512 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.894 6.965 7.149 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.355 11.091 7.194 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.979 10.402 7.095 1.00 0.00 H new ATOM 544 N GLY A 66 -2.312 6.165 4.190 1.00 0.00 N ATOM 545 CA GLY A 66 -1.352 5.876 3.093 1.00 0.00 C ATOM 546 C GLY A 66 -0.675 4.506 3.209 1.00 0.00 C ATOM 547 O GLY A 66 0.554 4.460 3.295 1.00 0.00 O ATOM 0 H GLY A 66 -2.501 5.377 4.809 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.877 5.932 2.139 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.585 6.650 3.081 1.00 0.00 H new ATOM 548 N THR A 67 -1.455 3.403 3.238 1.00 0.00 N ATOM 549 CA THR A 67 -0.944 2.067 3.629 1.00 0.00 C ATOM 550 C THR A 67 -1.794 0.962 2.909 1.00 0.00 C ATOM 551 O THR A 67 -2.868 1.188 2.344 1.00 0.00 O ATOM 552 CB THR A 67 -0.872 1.993 5.200 1.00 0.00 C ATOM 553 OG1 THR A 67 0.207 2.789 5.672 1.00 0.00 O ATOM 554 CG2 THR A 67 -0.681 0.590 5.781 1.00 0.00 C ATOM 0 H THR A 67 -2.445 3.410 2.994 1.00 0.00 H new ATOM 0 HA THR A 67 0.077 1.885 3.295 1.00 0.00 H new ATOM 0 HB THR A 67 -1.846 2.353 5.532 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.246 2.740 6.650 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.644 0.649 6.869 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.514 -0.045 5.480 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.252 0.166 5.409 1.00 0.00 H new ATOM 555 N LEU A 68 -1.243 -0.258 2.946 1.00 0.00 N ATOM 556 CA LEU A 68 -1.871 -1.505 2.475 1.00 0.00 C ATOM 557 C LEU A 68 -1.460 -2.683 3.414 1.00 0.00 C ATOM 558 O LEU A 68 -0.399 -2.687 4.048 1.00 0.00 O ATOM 559 CB LEU A 68 -1.351 -1.730 1.029 1.00 0.00 C ATOM 560 CG LEU A 68 -2.359 -2.201 -0.027 1.00 0.00 C ATOM 561 CD1 LEU A 68 -1.784 -1.985 -1.444 1.00 0.00 C ATOM 562 CD2 LEU A 68 -2.845 -3.636 0.153 1.00 0.00 C ATOM 0 H LEU A 68 -0.307 -0.413 3.321 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.959 -1.449 2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.913 -0.794 0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.545 -2.462 1.073 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.247 -1.584 0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.508 -2.323 -2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.577 -0.926 -1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.861 -2.554 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.554 -3.882 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.995 -4.317 0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.334 -3.736 1.122 1.00 0.00 H new ATOM 563 N LYS A 69 -2.308 -3.719 3.428 1.00 0.00 N ATOM 564 CA LYS A 69 -2.000 -5.060 3.974 1.00 0.00 C ATOM 565 C LYS A 69 -2.433 -6.080 2.883 1.00 0.00 C ATOM 566 O LYS A 69 -3.627 -6.216 2.593 1.00 0.00 O ATOM 567 CB LYS A 69 -2.761 -5.228 5.316 1.00 0.00 C ATOM 568 CG LYS A 69 -2.523 -6.573 6.040 1.00 0.00 C ATOM 569 CD LYS A 69 -3.289 -6.738 7.365 1.00 0.00 C ATOM 570 CE LYS A 69 -2.836 -5.783 8.488 1.00 0.00 C ATOM 571 NZ LYS A 69 -3.565 -6.035 9.742 1.00 0.00 N ATOM 0 H LYS A 69 -3.254 -3.653 3.052 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.944 -5.213 4.196 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.471 -4.417 5.984 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.829 -5.119 5.127 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.805 -7.385 5.370 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.456 -6.679 6.238 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.351 -6.581 7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.175 -7.765 7.711 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.766 -5.903 8.658 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.995 -4.751 8.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.234 -5.375 10.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.584 -5.896 9.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.392 -7.012 10.054 1.00 0.00 H new ATOM 572 N ILE A 70 -1.460 -6.793 2.283 1.00 0.00 N ATOM 573 CA ILE A 70 -1.733 -7.822 1.241 1.00 0.00 C ATOM 574 C ILE A 70 -1.698 -9.184 2.003 1.00 0.00 C ATOM 575 O ILE A 70 -0.591 -9.685 2.245 1.00 0.00 O ATOM 576 CB ILE A 70 -0.709 -7.796 0.029 1.00 0.00 C ATOM 577 CG1 ILE A 70 -0.267 -6.412 -0.541 1.00 0.00 C ATOM 578 CG2 ILE A 70 -1.250 -8.690 -1.112 1.00 0.00 C ATOM 579 CD1 ILE A 70 1.022 -6.419 -1.384 1.00 0.00 C ATOM 0 H ILE A 70 -0.470 -6.679 2.499 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.694 -7.635 0.762 1.00 0.00 H new ATOM 0 HB ILE A 70 0.214 -8.175 0.468 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.077 -6.016 -1.153 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.131 -5.723 0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.551 -8.676 -1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.364 -9.712 -0.751 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.218 -8.312 -1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.236 -5.408 -1.729 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.852 -6.778 -0.776 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.891 -7.076 -2.244 1.00 0.00 H new ATOM 580 N LYS A 71 -2.849 -9.787 2.388 1.00 0.00 N ATOM 581 CA LYS A 71 -2.830 -11.125 3.054 1.00 0.00 C ATOM 582 C LYS A 71 -2.646 -12.281 2.030 1.00 0.00 C ATOM 583 O LYS A 71 -3.032 -12.198 0.859 1.00 0.00 O ATOM 584 CB LYS A 71 -4.084 -11.376 3.948 1.00 0.00 C ATOM 585 CG LYS A 71 -3.971 -10.906 5.411 1.00 0.00 C ATOM 586 CD LYS A 71 -5.072 -11.527 6.303 1.00 0.00 C ATOM 587 CE LYS A 71 -5.038 -11.092 7.779 1.00 0.00 C ATOM 588 NZ LYS A 71 -5.492 -9.702 7.975 1.00 0.00 N ATOM 0 H LYS A 71 -3.779 -9.388 2.257 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.963 -11.114 3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.938 -10.876 3.491 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.300 -12.444 3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.991 -11.175 5.804 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.043 -9.819 5.450 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.045 -11.268 5.886 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.985 -12.613 6.258 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.668 -11.761 8.365 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.022 -11.195 8.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.449 -9.462 8.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.877 -9.057 7.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.471 -9.606 7.638 1.00 0.00 H new ATOM 589 N HIS A 72 -2.101 -13.402 2.544 1.00 0.00 N ATOM 590 CA HIS A 72 -2.233 -14.743 1.949 1.00 0.00 C ATOM 591 C HIS A 72 -1.188 -15.042 0.836 1.00 0.00 C ATOM 592 O HIS A 72 -0.820 -14.219 -0.005 1.00 0.00 O ATOM 593 CB HIS A 72 -3.692 -15.198 1.583 1.00 0.00 C ATOM 594 CG HIS A 72 -4.501 -15.747 2.766 1.00 0.00 C ATOM 595 ND1 HIS A 72 -4.369 -17.047 3.242 1.00 0.00 N ATOM 596 CD2 HIS A 72 -5.460 -15.052 3.524 1.00 0.00 C ATOM 597 CE1 HIS A 72 -5.265 -17.014 4.277 1.00 0.00 C ATOM 598 NE2 HIS A 72 -5.966 -15.865 4.524 1.00 0.00 N ATOM 0 H HIS A 72 -1.547 -13.398 3.400 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.978 -15.399 2.782 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.227 -14.350 1.155 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.637 -15.964 0.809 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -5.759 -14.029 3.351 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -5.417 -17.888 4.893 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -6.663 -15.664 5.241 1.00 0.00 H new ATOM 599 N LEU A 73 -0.855 -16.330 0.902 1.00 0.00 N ATOM 600 CA LEU A 73 0.059 -17.137 0.100 1.00 0.00 C ATOM 601 C LEU A 73 0.506 -16.615 -1.308 1.00 0.00 C ATOM 602 O LEU A 73 1.056 -15.525 -1.479 1.00 0.00 O ATOM 603 CB LEU A 73 -0.527 -18.634 0.246 1.00 0.00 C ATOM 604 CG LEU A 73 -1.543 -19.136 1.338 1.00 0.00 C ATOM 605 CD1 LEU A 73 -2.057 -20.556 1.013 1.00 0.00 C ATOM 606 CD2 LEU A 73 -1.028 -19.101 2.789 1.00 0.00 C ATOM 0 H LEU A 73 -1.283 -16.911 1.623 1.00 0.00 H new ATOM 0 HA LEU A 73 1.081 -17.077 0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.993 -18.861 -0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.345 -19.282 0.338 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.356 -18.411 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.757 -20.875 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.562 -20.548 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.216 -21.248 0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.805 -19.467 3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.145 -19.734 2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.769 -18.077 3.058 1.00 0.00 H new ATOM 607 N LYS A 74 0.365 -17.548 -2.209 1.00 0.00 N ATOM 608 CA LYS A 74 0.923 -17.634 -3.575 1.00 0.00 C ATOM 609 C LYS A 74 1.147 -16.405 -4.474 1.00 0.00 C ATOM 610 O LYS A 74 0.808 -15.260 -4.169 1.00 0.00 O ATOM 611 CB LYS A 74 0.146 -18.786 -4.300 1.00 0.00 C ATOM 612 CG LYS A 74 -1.343 -18.527 -4.638 1.00 0.00 C ATOM 613 CD LYS A 74 -2.052 -19.648 -5.429 1.00 0.00 C ATOM 614 CE LYS A 74 -1.832 -19.669 -6.956 1.00 0.00 C ATOM 615 NZ LYS A 74 -0.485 -20.106 -7.367 1.00 0.00 N ATOM 0 H LYS A 74 -0.204 -18.369 -2.003 1.00 0.00 H new ATOM 0 HA LYS A 74 1.984 -17.811 -3.396 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.669 -19.015 -5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.201 -19.677 -3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.886 -18.365 -3.707 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.411 -17.603 -5.212 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.726 -20.607 -5.026 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.123 -19.571 -5.241 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.570 -20.331 -7.409 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.014 -18.670 -7.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.519 -20.465 -8.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.171 -19.301 -7.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.156 -20.861 -6.732 1.00 0.00 H new ATOM 616 N THR A 75 1.807 -16.718 -5.606 1.00 0.00 N ATOM 617 CA THR A 75 2.327 -15.725 -6.555 1.00 0.00 C ATOM 618 C THR A 75 1.242 -14.790 -7.185 1.00 0.00 C ATOM 619 O THR A 75 1.402 -13.568 -7.203 1.00 0.00 O ATOM 620 CB THR A 75 3.286 -16.396 -7.591 1.00 0.00 C ATOM 621 OG1 THR A 75 4.293 -17.157 -6.924 1.00 0.00 O ATOM 622 CG2 THR A 75 4.021 -15.419 -8.530 1.00 0.00 C ATOM 0 H THR A 75 1.994 -17.681 -5.887 1.00 0.00 H new ATOM 0 HA THR A 75 2.927 -15.023 -5.976 1.00 0.00 H new ATOM 0 HB THR A 75 2.624 -17.013 -8.198 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.883 -17.571 -7.588 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.661 -15.980 -9.210 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.291 -14.849 -9.105 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.631 -14.736 -7.939 1.00 0.00 H new ATOM 623 N ASP A 76 0.141 -15.400 -7.648 1.00 0.00 N ATOM 624 CA ASP A 76 -1.107 -14.685 -8.047 1.00 0.00 C ATOM 625 C ASP A 76 -2.006 -14.149 -6.875 1.00 0.00 C ATOM 626 O ASP A 76 -2.793 -13.230 -7.121 1.00 0.00 O ATOM 627 CB ASP A 76 -1.888 -15.610 -9.027 1.00 0.00 C ATOM 628 CG ASP A 76 -2.976 -14.912 -9.859 1.00 0.00 C ATOM 629 OD1 ASP A 76 -2.643 -14.016 -10.662 1.00 0.00 O ATOM 630 OD2 ASP A 76 -4.166 -15.266 -9.712 1.00 0.00 O ATOM 0 H ASP A 76 0.079 -16.412 -7.762 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.806 -13.757 -8.534 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.175 -16.076 -9.708 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.351 -16.412 -8.453 1.00 0.00 H new ATOM 631 N ASP A 77 -1.882 -14.653 -5.625 1.00 0.00 N ATOM 632 CA ASP A 77 -2.434 -13.967 -4.417 1.00 0.00 C ATOM 633 C ASP A 77 -1.755 -12.599 -4.065 1.00 0.00 C ATOM 634 O ASP A 77 -2.421 -11.797 -3.401 1.00 0.00 O ATOM 635 CB ASP A 77 -2.440 -14.916 -3.168 1.00 0.00 C ATOM 636 CG ASP A 77 -3.518 -16.014 -3.126 1.00 0.00 C ATOM 637 OD1 ASP A 77 -3.986 -16.481 -4.190 1.00 0.00 O ATOM 638 OD2 ASP A 77 -3.890 -16.426 -2.006 1.00 0.00 O ATOM 0 H ASP A 77 -1.406 -15.531 -5.419 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.460 -13.722 -4.690 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.464 -15.398 -3.105 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.550 -14.300 -2.276 1.00 0.00 H new ATOM 639 N GLN A 78 -0.487 -12.313 -4.461 1.00 0.00 N ATOM 640 CA GLN A 78 0.220 -11.066 -4.038 1.00 0.00 C ATOM 641 C GLN A 78 1.321 -10.650 -5.075 1.00 0.00 C ATOM 642 O GLN A 78 2.213 -11.445 -5.389 1.00 0.00 O ATOM 643 CB GLN A 78 0.686 -11.194 -2.560 1.00 0.00 C ATOM 644 CG GLN A 78 1.784 -12.229 -2.220 1.00 0.00 C ATOM 645 CD GLN A 78 2.174 -12.288 -0.727 1.00 0.00 C ATOM 646 OE1 GLN A 78 1.597 -11.635 0.144 1.00 0.00 O ATOM 647 NE2 GLN A 78 3.184 -13.079 -0.409 1.00 0.00 N ATOM 0 H GLN A 78 0.066 -12.920 -5.067 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.467 -10.220 -4.046 1.00 0.00 H new ATOM 0 HB2 GLN A 78 1.042 -10.215 -2.239 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -0.190 -11.429 -1.955 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.443 -13.216 -2.532 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.674 -12.000 -2.805 1.00 0.00 H new ATOM 0 HE21 GLN A 78 3.658 -13.617 -1.134 1.00 0.00 H new ATOM 0 HE22 GLN A 78 3.489 -13.151 0.562 1.00 0.00 H new ATOM 648 N ASP A 79 1.222 -9.421 -5.642 1.00 0.00 N ATOM 649 CA ASP A 79 1.795 -9.101 -6.994 1.00 0.00 C ATOM 650 C ASP A 79 2.484 -7.685 -7.129 1.00 0.00 C ATOM 651 O ASP A 79 2.805 -7.021 -6.147 1.00 0.00 O ATOM 652 CB ASP A 79 0.647 -9.286 -8.033 1.00 0.00 C ATOM 653 CG ASP A 79 0.214 -10.726 -8.342 1.00 0.00 C ATOM 654 OD1 ASP A 79 0.881 -11.397 -9.161 1.00 0.00 O ATOM 655 OD2 ASP A 79 -0.790 -11.187 -7.763 1.00 0.00 O ATOM 0 H ASP A 79 0.755 -8.632 -5.194 1.00 0.00 H new ATOM 0 HA ASP A 79 2.623 -9.787 -7.174 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.225 -8.739 -7.675 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.956 -8.817 -8.967 1.00 0.00 H new ATOM 656 N ILE A 80 2.751 -7.254 -8.386 1.00 0.00 N ATOM 657 CA ILE A 80 3.477 -6.004 -8.756 1.00 0.00 C ATOM 658 C ILE A 80 2.526 -4.768 -8.707 1.00 0.00 C ATOM 659 O ILE A 80 1.340 -4.865 -9.041 1.00 0.00 O ATOM 660 CB ILE A 80 4.150 -6.216 -10.172 1.00 0.00 C ATOM 661 CG1 ILE A 80 5.218 -7.354 -10.153 1.00 0.00 C ATOM 662 CG2 ILE A 80 4.794 -4.935 -10.758 1.00 0.00 C ATOM 663 CD1 ILE A 80 5.758 -7.850 -11.507 1.00 0.00 C ATOM 0 H ILE A 80 2.457 -7.785 -9.206 1.00 0.00 H new ATOM 0 HA ILE A 80 4.265 -5.793 -8.033 1.00 0.00 H new ATOM 0 HB ILE A 80 3.322 -6.501 -10.821 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.065 -7.009 -9.560 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.789 -8.208 -9.630 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.234 -5.161 -11.729 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.031 -4.165 -10.875 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.570 -4.576 -10.082 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.491 -8.640 -11.339 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.935 -8.240 -12.106 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.231 -7.022 -12.035 1.00 0.00 H new ATOM 664 N TYR A 81 3.081 -3.603 -8.291 1.00 0.00 N ATOM 665 CA TYR A 81 2.283 -2.375 -8.010 1.00 0.00 C ATOM 666 C TYR A 81 3.010 -1.057 -8.439 1.00 0.00 C ATOM 667 O TYR A 81 4.175 -1.050 -8.842 1.00 0.00 O ATOM 668 CB TYR A 81 1.904 -2.359 -6.493 1.00 0.00 C ATOM 669 CG TYR A 81 0.883 -3.428 -6.046 1.00 0.00 C ATOM 670 CD1 TYR A 81 -0.382 -3.492 -6.634 1.00 0.00 C ATOM 671 CD2 TYR A 81 1.278 -4.449 -5.176 1.00 0.00 C ATOM 672 CE1 TYR A 81 -1.125 -4.668 -6.535 1.00 0.00 C ATOM 673 CE2 TYR A 81 0.494 -5.584 -5.012 1.00 0.00 C ATOM 674 CZ TYR A 81 -0.673 -5.722 -5.747 1.00 0.00 C ATOM 675 OH TYR A 81 -1.426 -6.867 -5.635 1.00 0.00 O ATOM 0 H TYR A 81 4.083 -3.484 -8.141 1.00 0.00 H new ATOM 0 HA TYR A 81 1.378 -2.409 -8.617 1.00 0.00 H new ATOM 0 HB2 TYR A 81 2.815 -2.487 -5.909 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.503 -1.375 -6.248 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.782 -2.638 -7.161 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.202 -4.354 -4.626 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.057 -4.761 -7.073 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.792 -6.354 -4.316 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.117 -6.739 -4.951 1.00 0.00 H new ATOM 676 N LYS A 82 2.299 0.085 -8.345 1.00 0.00 N ATOM 677 CA LYS A 82 2.918 1.441 -8.344 1.00 0.00 C ATOM 678 C LYS A 82 1.960 2.439 -7.636 1.00 0.00 C ATOM 679 O LYS A 82 0.736 2.386 -7.803 1.00 0.00 O ATOM 680 CB LYS A 82 3.450 1.905 -9.738 1.00 0.00 C ATOM 681 CG LYS A 82 2.520 2.568 -10.780 1.00 0.00 C ATOM 682 CD LYS A 82 2.164 4.050 -10.498 1.00 0.00 C ATOM 683 CE LYS A 82 1.858 4.922 -11.729 1.00 0.00 C ATOM 684 NZ LYS A 82 0.677 4.481 -12.490 1.00 0.00 N ATOM 0 H LYS A 82 1.282 0.101 -8.268 1.00 0.00 H new ATOM 0 HA LYS A 82 3.839 1.402 -7.762 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.263 2.605 -9.549 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.888 1.029 -10.217 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.995 2.505 -11.759 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.596 1.993 -10.836 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.298 4.074 -9.837 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.993 4.504 -9.954 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.706 5.952 -11.405 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.726 4.920 -12.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.828 4.665 -13.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.529 3.462 -12.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.161 5.004 -12.165 1.00 0.00 H new ATOM 685 N VAL A 83 2.536 3.372 -6.861 1.00 0.00 N ATOM 686 CA VAL A 83 1.778 4.306 -5.980 1.00 0.00 C ATOM 687 C VAL A 83 1.656 5.734 -6.585 1.00 0.00 C ATOM 688 O VAL A 83 2.565 6.253 -7.240 1.00 0.00 O ATOM 689 CB VAL A 83 2.389 4.292 -4.538 1.00 0.00 C ATOM 690 CG1 VAL A 83 3.800 4.895 -4.377 1.00 0.00 C ATOM 691 CG2 VAL A 83 1.466 4.888 -3.449 1.00 0.00 C ATOM 0 H VAL A 83 3.546 3.509 -6.820 1.00 0.00 H new ATOM 0 HA VAL A 83 0.750 3.952 -5.906 1.00 0.00 H new ATOM 0 HB VAL A 83 2.488 3.217 -4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.109 4.825 -3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.504 4.345 -5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.785 5.941 -4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.966 4.839 -2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.243 5.927 -3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.538 4.318 -3.407 1.00 0.00 H new ATOM 692 N SER A 84 0.528 6.376 -6.251 1.00 0.00 N ATOM 693 CA SER A 84 0.418 7.853 -6.165 1.00 0.00 C ATOM 694 C SER A 84 -0.389 8.186 -4.875 1.00 0.00 C ATOM 695 O SER A 84 -1.303 7.465 -4.467 1.00 0.00 O ATOM 696 CB SER A 84 -0.283 8.463 -7.394 1.00 0.00 C ATOM 697 OG SER A 84 0.383 8.134 -8.609 1.00 0.00 O ATOM 0 H SER A 84 -0.342 5.891 -6.031 1.00 0.00 H new ATOM 0 HA SER A 84 1.419 8.283 -6.134 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.312 8.107 -7.437 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.325 9.547 -7.286 1.00 0.00 H new ATOM 0 HG SER A 84 1.179 7.597 -8.411 1.00 0.00 H new ATOM 698 N ILE A 85 -0.034 9.310 -4.243 1.00 0.00 N ATOM 699 CA ILE A 85 -0.693 9.799 -2.995 1.00 0.00 C ATOM 700 C ILE A 85 -1.101 11.264 -3.311 1.00 0.00 C ATOM 701 O ILE A 85 -0.256 12.112 -3.612 1.00 0.00 O ATOM 702 CB ILE A 85 0.183 9.663 -1.700 1.00 0.00 C ATOM 703 CG1 ILE A 85 0.603 8.185 -1.433 1.00 0.00 C ATOM 704 CG2 ILE A 85 -0.529 10.253 -0.447 1.00 0.00 C ATOM 705 CD1 ILE A 85 1.542 7.932 -0.245 1.00 0.00 C ATOM 0 H ILE A 85 0.717 9.917 -4.571 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.555 9.180 -2.745 1.00 0.00 H new ATOM 0 HB ILE A 85 1.086 10.246 -1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.302 7.598 -1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.084 7.801 -2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.114 10.137 0.425 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.733 11.311 -0.609 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.467 9.724 -0.279 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.755 6.866 -0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.473 8.479 -0.394 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.065 8.272 0.674 1.00 0.00 H new ATOM 706 N TYR A 86 -2.411 11.529 -3.196 1.00 0.00 N ATOM 707 CA TYR A 86 -2.988 12.879 -3.430 1.00 0.00 C ATOM 708 C TYR A 86 -3.697 13.331 -2.121 1.00 0.00 C ATOM 709 O TYR A 86 -4.242 12.540 -1.341 1.00 0.00 O ATOM 710 CB TYR A 86 -3.925 12.923 -4.669 1.00 0.00 C ATOM 711 CG TYR A 86 -3.423 12.345 -6.014 1.00 0.00 C ATOM 712 CD1 TYR A 86 -3.551 10.978 -6.289 1.00 0.00 C ATOM 713 CD2 TYR A 86 -2.925 13.196 -7.005 1.00 0.00 C ATOM 714 CE1 TYR A 86 -3.230 10.482 -7.551 1.00 0.00 C ATOM 715 CE2 TYR A 86 -2.598 12.698 -8.262 1.00 0.00 C ATOM 716 CZ TYR A 86 -2.761 11.342 -8.536 1.00 0.00 C ATOM 717 OH TYR A 86 -2.467 10.856 -9.785 1.00 0.00 O ATOM 0 H TYR A 86 -3.103 10.825 -2.940 1.00 0.00 H new ATOM 0 HA TYR A 86 -2.189 13.581 -3.670 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.842 12.395 -4.406 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.195 13.965 -4.840 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.900 10.305 -5.520 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.793 14.247 -6.793 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.346 9.429 -7.763 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.218 13.362 -9.025 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.152 11.588 -10.355 1.00 0.00 H new ATOM 718 N ASP A 87 -3.689 14.651 -1.897 1.00 0.00 N ATOM 719 CA ASP A 87 -4.266 15.272 -0.669 1.00 0.00 C ATOM 720 C ASP A 87 -5.829 15.346 -0.722 1.00 0.00 C ATOM 721 O ASP A 87 -6.470 14.776 -1.613 1.00 0.00 O ATOM 722 CB ASP A 87 -3.560 16.649 -0.461 1.00 0.00 C ATOM 723 CG ASP A 87 -2.042 16.606 -0.210 1.00 0.00 C ATOM 724 OD1 ASP A 87 -1.613 16.135 0.869 1.00 0.00 O ATOM 725 OD2 ASP A 87 -1.277 17.033 -1.101 1.00 0.00 O ATOM 0 H ASP A 87 -3.289 15.326 -2.549 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.073 14.652 0.206 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.744 17.264 -1.342 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.032 17.152 0.383 1.00 0.00 H new ATOM 726 N THR A 88 -6.461 16.056 0.238 1.00 0.00 N ATOM 727 CA THR A 88 -7.903 16.449 0.147 1.00 0.00 C ATOM 728 C THR A 88 -8.332 17.239 -1.133 1.00 0.00 C ATOM 729 O THR A 88 -9.406 16.975 -1.679 1.00 0.00 O ATOM 730 CB THR A 88 -8.464 17.094 1.454 1.00 0.00 C ATOM 731 OG1 THR A 88 -8.256 18.503 1.470 1.00 0.00 O ATOM 732 CG2 THR A 88 -8.019 16.517 2.809 1.00 0.00 C ATOM 0 H THR A 88 -6.002 16.374 1.091 1.00 0.00 H new ATOM 0 HA THR A 88 -8.390 15.481 0.030 1.00 0.00 H new ATOM 0 HB THR A 88 -9.518 16.827 1.381 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.619 18.878 2.299 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.496 17.074 3.616 1.00 0.00 H new ATOM 0 HG22 THR A 88 -8.309 15.468 2.871 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.936 16.600 2.902 1.00 0.00 H new ATOM 733 N LYS A 89 -7.480 18.166 -1.611 1.00 0.00 N ATOM 734 CA LYS A 89 -7.669 18.867 -2.910 1.00 0.00 C ATOM 735 C LYS A 89 -7.547 17.962 -4.180 1.00 0.00 C ATOM 736 O LYS A 89 -8.240 18.249 -5.163 1.00 0.00 O ATOM 737 CB LYS A 89 -6.674 20.059 -3.027 1.00 0.00 C ATOM 738 CG LYS A 89 -6.892 21.293 -2.110 1.00 0.00 C ATOM 739 CD LYS A 89 -6.568 21.155 -0.606 1.00 0.00 C ATOM 740 CE LYS A 89 -5.086 20.863 -0.285 1.00 0.00 C ATOM 741 NZ LYS A 89 -4.880 20.679 1.161 1.00 0.00 N ATOM 0 H LYS A 89 -6.639 18.455 -1.112 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.702 19.215 -2.893 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.672 19.675 -2.835 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.691 20.406 -4.060 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.291 22.111 -2.506 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.936 21.593 -2.199 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.860 22.075 -0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.180 20.355 -0.189 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -4.766 19.967 -0.817 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -4.465 21.685 -0.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -3.875 20.484 1.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.164 21.543 1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.455 19.879 1.495 1.00 0.00 H new ATOM 742 N GLY A 90 -6.667 16.930 -4.201 1.00 0.00 N ATOM 743 CA GLY A 90 -6.314 16.206 -5.445 1.00 0.00 C ATOM 744 C GLY A 90 -5.072 16.800 -6.146 1.00 0.00 C ATOM 745 O GLY A 90 -5.175 17.274 -7.280 1.00 0.00 O ATOM 0 H GLY A 90 -6.190 16.582 -3.370 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -6.128 15.158 -5.211 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -7.161 16.234 -6.130 1.00 0.00 H new ATOM 746 N LYS A 91 -3.918 16.771 -5.455 1.00 0.00 N ATOM 747 CA LYS A 91 -2.639 17.331 -5.959 1.00 0.00 C ATOM 748 C LYS A 91 -1.502 16.457 -5.369 1.00 0.00 C ATOM 749 O LYS A 91 -1.446 16.201 -4.156 1.00 0.00 O ATOM 750 CB LYS A 91 -2.520 18.835 -5.576 1.00 0.00 C ATOM 751 CG LYS A 91 -1.364 19.590 -6.278 1.00 0.00 C ATOM 752 CD LYS A 91 -1.312 21.102 -5.986 1.00 0.00 C ATOM 753 CE LYS A 91 -0.835 21.469 -4.568 1.00 0.00 C ATOM 754 NZ LYS A 91 -0.802 22.931 -4.376 1.00 0.00 N ATOM 0 H LYS A 91 -3.840 16.357 -4.526 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.580 17.302 -7.047 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.460 19.333 -5.815 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.384 18.912 -4.497 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.418 19.142 -5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.454 19.444 -7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.650 21.575 -6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.306 21.522 -6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.499 21.018 -3.830 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.159 21.055 -4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.477 23.147 -3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.150 23.357 -5.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.756 23.321 -4.515 1.00 0.00 H new ATOM 755 N ASN A 92 -0.601 15.982 -6.248 1.00 0.00 N ATOM 756 CA ASN A 92 0.346 14.889 -5.915 1.00 0.00 C ATOM 757 C ASN A 92 1.510 15.354 -4.989 1.00 0.00 C ATOM 758 O ASN A 92 2.202 16.341 -5.263 1.00 0.00 O ATOM 759 CB ASN A 92 0.845 14.253 -7.241 1.00 0.00 C ATOM 760 CG ASN A 92 1.740 13.003 -7.091 1.00 0.00 C ATOM 761 OD1 ASN A 92 2.959 13.074 -7.212 1.00 0.00 O ATOM 762 ND2 ASN A 92 1.154 11.850 -6.809 1.00 0.00 N ATOM 0 H ASN A 92 -0.505 16.336 -7.200 1.00 0.00 H new ATOM 0 HA ASN A 92 -0.175 14.132 -5.329 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.023 13.985 -7.843 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.399 15.008 -7.799 1.00 0.00 H new ATOM 0 HD21 ASN A 92 1.717 11.008 -6.690 1.00 0.00 H new ATOM 0 HD22 ASN A 92 0.140 11.804 -6.711 1.00 0.00 H new ATOM 763 N VAL A 93 1.713 14.573 -3.917 1.00 0.00 N ATOM 764 CA VAL A 93 2.884 14.687 -3.002 1.00 0.00 C ATOM 765 C VAL A 93 3.940 13.596 -3.348 1.00 0.00 C ATOM 766 O VAL A 93 5.033 13.911 -3.826 1.00 0.00 O ATOM 767 CB VAL A 93 2.487 14.783 -1.477 1.00 0.00 C ATOM 768 CG1 VAL A 93 2.262 16.245 -1.031 1.00 0.00 C ATOM 769 CG2 VAL A 93 1.308 13.898 -0.993 1.00 0.00 C ATOM 0 H VAL A 93 1.066 13.831 -3.648 1.00 0.00 H new ATOM 0 HA VAL A 93 3.366 15.649 -3.176 1.00 0.00 H new ATOM 0 HB VAL A 93 3.364 14.360 -0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.991 16.266 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.178 16.816 -1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.458 16.686 -1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.143 14.062 0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.406 14.161 -1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.546 12.848 -1.165 1.00 0.00 H new ATOM 770 N LEU A 94 3.586 12.332 -3.094 1.00 0.00 N ATOM 771 CA LEU A 94 4.508 11.168 -3.187 1.00 0.00 C ATOM 772 C LEU A 94 4.000 10.176 -4.274 1.00 0.00 C ATOM 773 O LEU A 94 2.907 9.618 -4.142 1.00 0.00 O ATOM 774 CB LEU A 94 4.607 10.540 -1.764 1.00 0.00 C ATOM 775 CG LEU A 94 5.503 9.283 -1.562 1.00 0.00 C ATOM 776 CD1 LEU A 94 6.956 9.476 -2.041 1.00 0.00 C ATOM 777 CD2 LEU A 94 5.504 8.850 -0.083 1.00 0.00 C ATOM 0 H LEU A 94 2.640 12.073 -2.813 1.00 0.00 H new ATOM 0 HA LEU A 94 5.510 11.461 -3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.966 11.314 -1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.597 10.281 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 94 5.063 8.503 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.521 8.560 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.960 9.710 -3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.416 10.295 -1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.136 7.970 0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.890 9.662 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.487 8.612 0.227 1.00 0.00 H new ATOM 778 N GLU A 95 4.827 9.935 -5.315 1.00 0.00 N ATOM 779 CA GLU A 95 4.603 8.836 -6.297 1.00 0.00 C ATOM 780 C GLU A 95 5.912 8.012 -6.509 1.00 0.00 C ATOM 781 O GLU A 95 7.013 8.561 -6.601 1.00 0.00 O ATOM 782 CB GLU A 95 3.934 9.322 -7.617 1.00 0.00 C ATOM 783 CG GLU A 95 4.649 10.359 -8.516 1.00 0.00 C ATOM 784 CD GLU A 95 5.867 9.836 -9.285 1.00 0.00 C ATOM 785 OE1 GLU A 95 5.716 8.898 -10.100 1.00 0.00 O ATOM 786 OE2 GLU A 95 6.983 10.359 -9.074 1.00 0.00 O ATOM 0 H GLU A 95 5.663 10.488 -5.503 1.00 0.00 H new ATOM 0 HA GLU A 95 3.869 8.152 -5.871 1.00 0.00 H new ATOM 0 HB2 GLU A 95 3.746 8.439 -8.228 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.962 9.739 -7.352 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.928 10.750 -9.234 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.966 11.196 -7.894 1.00 0.00 H new ATOM 787 N LYS A 96 5.752 6.677 -6.576 1.00 0.00 N ATOM 788 CA LYS A 96 6.861 5.682 -6.601 1.00 0.00 C ATOM 789 C LYS A 96 6.372 4.388 -7.331 1.00 0.00 C ATOM 790 O LYS A 96 5.221 4.266 -7.763 1.00 0.00 O ATOM 791 CB LYS A 96 7.374 5.413 -5.145 1.00 0.00 C ATOM 792 CG LYS A 96 8.437 6.386 -4.590 1.00 0.00 C ATOM 793 CD LYS A 96 9.835 6.224 -5.225 1.00 0.00 C ATOM 794 CE LYS A 96 10.919 7.145 -4.633 1.00 0.00 C ATOM 795 NZ LYS A 96 11.330 6.752 -3.271 1.00 0.00 N ATOM 0 H LYS A 96 4.830 6.242 -6.615 1.00 0.00 H new ATOM 0 HA LYS A 96 7.713 6.069 -7.161 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.515 5.429 -4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.786 4.404 -5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.095 7.409 -4.748 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.520 6.240 -3.513 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.154 5.188 -5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.758 6.416 -6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.791 7.136 -5.286 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.546 8.169 -4.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.060 7.407 -2.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.507 6.786 -2.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.713 5.785 -3.289 1.00 0.00 H new ATOM 796 N ILE A 97 7.301 3.434 -7.524 1.00 0.00 N ATOM 797 CA ILE A 97 7.053 2.171 -8.290 1.00 0.00 C ATOM 798 C ILE A 97 7.509 0.968 -7.391 1.00 0.00 C ATOM 799 O ILE A 97 8.422 1.083 -6.566 1.00 0.00 O ATOM 800 CB ILE A 97 7.684 2.223 -9.738 1.00 0.00 C ATOM 801 CG1 ILE A 97 7.320 3.528 -10.527 1.00 0.00 C ATOM 802 CG2 ILE A 97 7.313 0.970 -10.575 1.00 0.00 C ATOM 803 CD1 ILE A 97 7.974 3.742 -11.902 1.00 0.00 C ATOM 0 H ILE A 97 8.250 3.505 -7.158 1.00 0.00 H new ATOM 0 HA ILE A 97 5.992 2.035 -8.498 1.00 0.00 H new ATOM 0 HB ILE A 97 8.763 2.233 -9.581 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.239 3.545 -10.664 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.575 4.381 -9.899 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.766 1.045 -11.563 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.682 0.075 -10.074 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.230 0.908 -10.677 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.628 4.684 -12.327 1.00 0.00 H new ATOM 0 HD12 ILE A 97 9.058 3.771 -11.789 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.700 2.922 -12.567 1.00 0.00 H new ATOM 804 N PHE A 98 6.796 -0.175 -7.491 1.00 0.00 N ATOM 805 CA PHE A 98 6.955 -1.334 -6.557 1.00 0.00 C ATOM 806 C PHE A 98 6.791 -2.686 -7.319 1.00 0.00 C ATOM 807 O PHE A 98 6.214 -2.740 -8.408 1.00 0.00 O ATOM 808 CB PHE A 98 5.889 -1.251 -5.419 1.00 0.00 C ATOM 809 CG PHE A 98 6.201 -0.190 -4.358 1.00 0.00 C ATOM 810 CD1 PHE A 98 5.893 1.155 -4.590 1.00 0.00 C ATOM 811 CD2 PHE A 98 6.908 -0.545 -3.206 1.00 0.00 C ATOM 812 CE1 PHE A 98 6.337 2.136 -3.717 1.00 0.00 C ATOM 813 CE2 PHE A 98 7.323 0.437 -2.314 1.00 0.00 C ATOM 814 CZ PHE A 98 7.043 1.775 -2.577 1.00 0.00 C ATOM 0 H PHE A 98 6.094 -0.330 -8.215 1.00 0.00 H new ATOM 0 HA PHE A 98 7.956 -1.290 -6.128 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.916 -1.036 -5.860 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.811 -2.224 -4.935 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.306 1.430 -5.454 1.00 0.00 H new ATOM 0 HD2 PHE A 98 7.132 -1.583 -3.009 1.00 0.00 H new ATOM 0 HE1 PHE A 98 6.135 3.177 -3.923 1.00 0.00 H new ATOM 0 HE2 PHE A 98 7.861 0.163 -1.419 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.377 2.538 -1.889 1.00 0.00 H new ATOM 815 N ASP A 99 7.276 -3.802 -6.735 1.00 0.00 N ATOM 816 CA ASP A 99 7.172 -5.144 -7.383 1.00 0.00 C ATOM 817 C ASP A 99 7.108 -6.222 -6.274 1.00 0.00 C ATOM 818 O ASP A 99 8.168 -6.456 -5.676 1.00 0.00 O ATOM 819 CB ASP A 99 8.397 -5.442 -8.313 1.00 0.00 C ATOM 820 CG ASP A 99 8.479 -4.693 -9.651 1.00 0.00 C ATOM 821 OD1 ASP A 99 8.912 -3.520 -9.664 1.00 0.00 O ATOM 822 OD2 ASP A 99 8.132 -5.284 -10.697 1.00 0.00 O ATOM 0 H ASP A 99 7.740 -3.811 -5.827 1.00 0.00 H new ATOM 0 HA ASP A 99 6.274 -5.157 -8.000 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.305 -5.224 -7.751 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.403 -6.511 -8.527 1.00 0.00 H new ATOM 823 N LEU A 100 5.975 -6.950 -6.004 1.00 0.00 N ATOM 824 CA LEU A 100 6.077 -8.112 -5.069 1.00 0.00 C ATOM 825 C LEU A 100 6.585 -9.368 -5.837 1.00 0.00 C ATOM 826 O LEU A 100 5.826 -10.016 -6.565 1.00 0.00 O ATOM 827 CB LEU A 100 4.772 -8.354 -4.284 1.00 0.00 C ATOM 828 CG LEU A 100 4.897 -9.056 -2.901 1.00 0.00 C ATOM 829 CD1 LEU A 100 3.498 -9.078 -2.281 1.00 0.00 C ATOM 830 CD2 LEU A 100 5.481 -10.479 -2.930 1.00 0.00 C ATOM 0 H LEU A 100 5.048 -6.769 -6.390 1.00 0.00 H new ATOM 0 HA LEU A 100 6.816 -7.878 -4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.285 -7.391 -4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.108 -8.952 -4.908 1.00 0.00 H new ATOM 0 HG LEU A 100 5.616 -8.485 -2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.540 -9.564 -1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.136 -8.057 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.820 -9.630 -2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.524 -10.875 -1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.847 -11.120 -3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.486 -10.451 -3.352 1.00 0.00 H new ATOM 831 N LYS A 101 7.879 -9.683 -5.646 1.00 0.00 N ATOM 832 CA LYS A 101 8.532 -10.873 -6.255 1.00 0.00 C ATOM 833 C LYS A 101 8.667 -12.006 -5.194 1.00 0.00 C ATOM 834 O LYS A 101 8.891 -11.761 -4.003 1.00 0.00 O ATOM 835 CB LYS A 101 9.901 -10.494 -6.882 1.00 0.00 C ATOM 836 CG LYS A 101 9.806 -9.527 -8.089 1.00 0.00 C ATOM 837 CD LYS A 101 11.139 -9.311 -8.820 1.00 0.00 C ATOM 838 CE LYS A 101 10.972 -8.457 -10.093 1.00 0.00 C ATOM 839 NZ LYS A 101 12.237 -8.332 -10.833 1.00 0.00 N ATOM 0 H LYS A 101 8.507 -9.125 -5.067 1.00 0.00 H new ATOM 0 HA LYS A 101 7.907 -11.247 -7.066 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.525 -10.037 -6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.406 -11.406 -7.201 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.074 -9.916 -8.797 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.433 -8.563 -7.742 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.846 -8.824 -8.148 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.567 -10.278 -9.086 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.216 -8.907 -10.737 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.610 -7.466 -9.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.086 -7.751 -11.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.951 -7.880 -10.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.570 -9.276 -11.114 1.00 0.00 H new ATOM 840 N ILE A 102 8.503 -13.258 -5.657 1.00 0.00 N ATOM 841 CA ILE A 102 8.388 -14.457 -4.771 1.00 0.00 C ATOM 842 C ILE A 102 9.704 -15.281 -4.901 1.00 0.00 C ATOM 843 O ILE A 102 10.158 -15.592 -6.009 1.00 0.00 O ATOM 844 CB ILE A 102 7.097 -15.285 -5.109 1.00 0.00 C ATOM 845 CG1 ILE A 102 5.762 -14.492 -4.995 1.00 0.00 C ATOM 846 CG2 ILE A 102 6.962 -16.613 -4.313 1.00 0.00 C ATOM 847 CD1 ILE A 102 5.320 -14.017 -3.602 1.00 0.00 C ATOM 0 H ILE A 102 8.445 -13.479 -6.651 1.00 0.00 H new ATOM 0 HA ILE A 102 8.272 -14.160 -3.729 1.00 0.00 H new ATOM 0 HB ILE A 102 7.258 -15.524 -6.160 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.839 -13.615 -5.638 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.967 -15.117 -5.402 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.044 -17.122 -4.607 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.817 -17.254 -4.528 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.930 -16.396 -3.245 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.375 -13.481 -3.683 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.193 -14.879 -2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.079 -13.354 -3.186 1.00 0.00 H new ATOM 848 N GLN A 103 10.268 -15.672 -3.744 1.00 0.00 N ATOM 849 CA GLN A 103 11.499 -16.502 -3.669 1.00 0.00 C ATOM 850 C GLN A 103 11.193 -17.972 -4.073 1.00 0.00 C ATOM 851 O GLN A 103 10.243 -18.583 -3.559 1.00 0.00 O ATOM 852 CB GLN A 103 12.129 -16.479 -2.248 1.00 0.00 C ATOM 853 CG GLN A 103 12.517 -15.100 -1.657 1.00 0.00 C ATOM 854 CD GLN A 103 11.393 -14.412 -0.863 1.00 0.00 C ATOM 855 OE1 GLN A 103 10.647 -13.583 -1.385 1.00 0.00 O ATOM 856 NE2 GLN A 103 11.232 -14.755 0.408 1.00 0.00 N ATOM 0 H GLN A 103 9.888 -15.425 -2.830 1.00 0.00 H new ATOM 0 HA GLN A 103 12.216 -16.071 -4.368 1.00 0.00 H new ATOM 0 HB2 GLN A 103 11.427 -16.953 -1.562 1.00 0.00 H new ATOM 0 HB3 GLN A 103 13.025 -17.100 -2.268 1.00 0.00 H new ATOM 0 HG2 GLN A 103 13.381 -15.228 -1.005 1.00 0.00 H new ATOM 0 HG3 GLN A 103 12.826 -14.443 -2.470 1.00 0.00 H new ATOM 0 HE21 GLN A 103 11.854 -15.442 0.833 1.00 0.00 H new ATOM 0 HE22 GLN A 103 10.486 -14.331 0.960 1.00 0.00 H new ATOM 857 N GLU A 104 11.980 -18.516 -5.014 1.00 0.00 N ATOM 858 CA GLU A 104 11.755 -19.873 -5.580 1.00 0.00 C ATOM 859 C GLU A 104 13.080 -20.364 -6.219 1.00 0.00 C ATOM 860 O GLU A 104 13.410 -20.048 -7.367 1.00 0.00 O ATOM 861 CB GLU A 104 10.515 -19.980 -6.514 1.00 0.00 C ATOM 862 CG GLU A 104 10.391 -18.975 -7.686 1.00 0.00 C ATOM 863 CD GLU A 104 9.057 -19.071 -8.431 1.00 0.00 C ATOM 864 OE1 GLU A 104 8.819 -20.087 -9.120 1.00 0.00 O ATOM 865 OE2 GLU A 104 8.242 -18.126 -8.338 1.00 0.00 O ATOM 0 H GLU A 104 12.790 -18.037 -5.409 1.00 0.00 H new ATOM 0 HA GLU A 104 11.487 -20.550 -4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.501 -20.985 -6.935 1.00 0.00 H new ATOM 0 HB3 GLU A 104 9.623 -19.881 -5.895 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.511 -17.962 -7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 104 11.205 -19.147 -8.390 1.00 0.00 H new ATOM 866 N ARG A 105 13.830 -21.130 -5.411 1.00 0.00 N ATOM 867 CA ARG A 105 15.168 -21.697 -5.754 1.00 0.00 C ATOM 868 C ARG A 105 16.257 -20.596 -5.819 1.00 0.00 C ATOM 869 O ARG A 105 16.988 -20.415 -4.818 1.00 0.00 O ATOM 870 CB ARG A 105 15.217 -22.671 -6.971 1.00 0.00 C ATOM 871 CG ARG A 105 14.420 -23.980 -6.789 1.00 0.00 C ATOM 872 CD ARG A 105 14.611 -24.964 -7.956 1.00 0.00 C ATOM 873 NE ARG A 105 13.789 -26.186 -7.777 1.00 0.00 N ATOM 874 CZ ARG A 105 13.789 -27.236 -8.621 1.00 0.00 C ATOM 875 NH1 ARG A 105 14.579 -27.330 -9.691 1.00 0.00 N ATOM 876 NH2 ARG A 105 12.961 -28.233 -8.377 1.00 0.00 N ATOM 877 OXT ARG A 105 16.387 -19.912 -6.860 1.00 0.00 O ATOM 0 H ARG A 105 13.524 -21.386 -4.472 1.00 0.00 H new ATOM 0 HA ARG A 105 15.397 -22.355 -4.916 1.00 0.00 H new ATOM 0 HB2 ARG A 105 14.836 -22.150 -7.850 1.00 0.00 H new ATOM 0 HB3 ARG A 105 16.258 -22.922 -7.175 1.00 0.00 H new ATOM 0 HG2 ARG A 105 14.728 -24.461 -5.861 1.00 0.00 H new ATOM 0 HG3 ARG A 105 13.361 -23.744 -6.689 1.00 0.00 H new ATOM 0 HD2 ARG A 105 14.340 -24.476 -8.892 1.00 0.00 H new ATOM 0 HD3 ARG A 105 15.663 -25.240 -8.032 1.00 0.00 H new ATOM 0 HE ARG A 105 13.182 -26.234 -6.959 1.00 0.00 H new ATOM 0 HH11 ARG A 105 15.233 -26.578 -9.910 1.00 0.00 H new ATOM 0 HH12 ARG A 105 14.530 -28.154 -10.291 1.00 0.00 H new ATOM 0 HH21 ARG A 105 12.343 -28.196 -7.567 1.00 0.00 H new ATOM 0 HH22 ARG A 105 12.939 -29.041 -8.999 1.00 0.00 H new