USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=21 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 65 ASN : amide:sc= 0 X(o=0.13,f=-0.33) USER MOD Set 1.2: A 67 THR OG1 : rot -64:sc= 0.126 USER MOD Set 2.1: A 60 TYR OH : rot -80:sc= -0.901 USER MOD Set 2.2: A 81 TYR OH : rot -155:sc= 1.81 USER MOD Set 3.1: A 34 LYS NZ :NH3+ -165:sc= 0.138 (180deg=0.101) USER MOD Set 3.2: A 82 LYS NZ :NH3+ 154:sc= 0.455 (180deg=0) USER MOD Set 3.3: A 84 SER OG : rot 180:sc= 0.423 USER MOD Set 4.1: A 5 ASN : amide:sc= 0.0186 X(o=0.037,f=-0.22) USER MOD Set 4.2: A 96 LYS NZ :NH3+ -165:sc= 0.0185 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.83) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0864 USER MOD Single : A 39 SER OG : rot 180:sc= 0.00223 USER MOD Single : A 41 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.527) 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 X(o=0,f=-0.2) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.689) 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 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 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.752) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc=-0.00736 USER MOD Single : A 78 GLN : amide:sc= -1.95 X(o=-2,f=-2.3) 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= -0.045 K(o=-0.045,f=-0.79) USER MOD Single : A 101 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.516) USER MOD Single : A 103 GLN : amide:sc= 0.347 X(o=0.35,f=0) USER MOD ----------------------------------------------------------------- ATOM 34 N ASN A 5 14.003 5.084 -8.423 1.00 0.00 N ATOM 35 CA ASN A 5 12.543 5.337 -8.209 1.00 0.00 C ATOM 36 C ASN A 5 11.666 4.040 -8.290 1.00 0.00 C ATOM 37 O ASN A 5 10.563 4.031 -8.837 1.00 0.00 O ATOM 38 CB ASN A 5 12.057 6.416 -9.208 1.00 0.00 C ATOM 39 CG ASN A 5 12.499 7.863 -8.919 1.00 0.00 C ATOM 40 OD1 ASN A 5 11.939 8.537 -8.053 1.00 0.00 O ATOM 41 ND2 ASN A 5 13.489 8.372 -9.633 1.00 0.00 N ATOM 0 HA ASN A 5 12.419 5.701 -7.189 1.00 0.00 H new ATOM 0 HB2 ASN A 5 12.408 6.143 -10.203 1.00 0.00 H new ATOM 0 HB3 ASN A 5 10.968 6.390 -9.236 1.00 0.00 H new ATOM 0 HD21 ASN A 5 13.795 9.331 -9.469 1.00 0.00 H new ATOM 0 HD22 ASN A 5 13.946 7.806 -10.348 1.00 0.00 H new ATOM 42 N ALA A 6 12.157 2.957 -7.679 1.00 0.00 N ATOM 43 CA ALA A 6 11.544 1.604 -7.736 1.00 0.00 C ATOM 44 C ALA A 6 12.077 0.661 -6.622 1.00 0.00 C ATOM 45 O ALA A 6 13.169 0.850 -6.068 1.00 0.00 O ATOM 46 CB ALA A 6 11.759 0.958 -9.127 1.00 0.00 C ATOM 0 H ALA A 6 13.008 2.985 -7.117 1.00 0.00 H new ATOM 0 HA ALA A 6 10.476 1.740 -7.565 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.301 -0.031 -9.143 1.00 0.00 H new ATOM 0 HB2 ALA A 6 11.300 1.583 -9.893 1.00 0.00 H new ATOM 0 HB3 ALA A 6 12.827 0.867 -9.325 1.00 0.00 H new ATOM 47 N LEU A 7 11.273 -0.377 -6.320 1.00 0.00 N ATOM 48 CA LEU A 7 11.561 -1.359 -5.254 1.00 0.00 C ATOM 49 C LEU A 7 11.205 -2.776 -5.789 1.00 0.00 C ATOM 50 O LEU A 7 10.071 -3.033 -6.205 1.00 0.00 O ATOM 51 CB LEU A 7 10.735 -1.002 -3.979 1.00 0.00 C ATOM 52 CG LEU A 7 11.025 -1.875 -2.726 1.00 0.00 C ATOM 53 CD1 LEU A 7 12.444 -1.663 -2.165 1.00 0.00 C ATOM 54 CD2 LEU A 7 10.006 -1.643 -1.598 1.00 0.00 C ATOM 0 H LEU A 7 10.399 -0.560 -6.812 1.00 0.00 H new ATOM 0 HA LEU A 7 12.616 -1.340 -4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.925 0.041 -3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.675 -1.084 -4.220 1.00 0.00 H new ATOM 0 HG LEU A 7 10.938 -2.903 -3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 7 12.589 -2.299 -1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.179 -1.921 -2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.570 -0.619 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.255 -2.277 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.034 -0.597 -1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.006 -1.890 -1.955 1.00 0.00 H new ATOM 55 N GLU A 8 12.172 -3.703 -5.687 1.00 0.00 N ATOM 56 CA GLU A 8 11.897 -5.161 -5.794 1.00 0.00 C ATOM 57 C GLU A 8 11.616 -5.723 -4.372 1.00 0.00 C ATOM 58 O GLU A 8 12.439 -5.622 -3.455 1.00 0.00 O ATOM 59 CB GLU A 8 13.040 -5.938 -6.486 1.00 0.00 C ATOM 60 CG GLU A 8 13.200 -5.659 -7.998 1.00 0.00 C ATOM 61 CD GLU A 8 14.186 -6.616 -8.674 1.00 0.00 C ATOM 62 OE1 GLU A 8 13.823 -7.789 -8.907 1.00 0.00 O ATOM 63 OE2 GLU A 8 15.326 -6.197 -8.976 1.00 0.00 O ATOM 0 H GLU A 8 13.154 -3.477 -5.530 1.00 0.00 H new ATOM 0 HA GLU A 8 11.021 -5.298 -6.429 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.978 -5.696 -5.986 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.870 -7.005 -6.345 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.228 -5.743 -8.484 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.540 -4.633 -8.140 1.00 0.00 H new ATOM 64 N THR A 9 10.410 -6.284 -4.225 1.00 0.00 N ATOM 65 CA THR A 9 9.789 -6.598 -2.909 1.00 0.00 C ATOM 66 C THR A 9 9.559 -8.139 -2.889 1.00 0.00 C ATOM 67 O THR A 9 8.690 -8.645 -3.602 1.00 0.00 O ATOM 68 CB THR A 9 8.475 -5.759 -2.771 1.00 0.00 C ATOM 69 OG1 THR A 9 8.709 -4.377 -3.031 1.00 0.00 O ATOM 70 CG2 THR A 9 7.791 -5.835 -1.408 1.00 0.00 C ATOM 0 H THR A 9 9.822 -6.540 -5.018 1.00 0.00 H new ATOM 0 HA THR A 9 10.411 -6.334 -2.054 1.00 0.00 H new ATOM 0 HB THR A 9 7.815 -6.214 -3.510 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.869 -3.880 -2.939 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.892 -5.219 -1.417 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.521 -6.869 -1.194 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.472 -5.471 -0.638 1.00 0.00 H new ATOM 71 N TRP A 10 10.366 -8.888 -2.115 1.00 0.00 N ATOM 72 CA TRP A 10 10.457 -10.379 -2.243 1.00 0.00 C ATOM 73 C TRP A 10 9.874 -11.142 -1.017 1.00 0.00 C ATOM 74 O TRP A 10 9.846 -10.637 0.112 1.00 0.00 O ATOM 75 CB TRP A 10 11.941 -10.786 -2.488 1.00 0.00 C ATOM 76 CG TRP A 10 12.440 -10.528 -3.915 1.00 0.00 C ATOM 77 CD1 TRP A 10 13.184 -9.412 -4.346 1.00 0.00 C ATOM 78 CD2 TRP A 10 12.305 -11.339 -5.028 1.00 0.00 C ATOM 79 NE1 TRP A 10 13.533 -9.517 -5.705 1.00 0.00 N ATOM 80 CE2 TRP A 10 12.984 -10.720 -6.106 1.00 0.00 C ATOM 81 CE3 TRP A 10 11.667 -12.595 -5.210 1.00 0.00 C ATOM 82 CZ2 TRP A 10 13.049 -11.357 -7.367 1.00 0.00 C ATOM 83 CZ3 TRP A 10 11.754 -13.209 -6.460 1.00 0.00 C ATOM 84 CH2 TRP A 10 12.432 -12.598 -7.523 1.00 0.00 C ATOM 0 H TRP A 10 10.969 -8.498 -1.391 1.00 0.00 H new ATOM 0 HA TRP A 10 9.841 -10.669 -3.095 1.00 0.00 H new ATOM 0 HB2 TRP A 10 12.575 -10.240 -1.790 1.00 0.00 H new ATOM 0 HB3 TRP A 10 12.057 -11.846 -2.261 1.00 0.00 H new ATOM 0 HD1 TRP A 10 13.453 -8.580 -3.712 1.00 0.00 H new ATOM 0 HE1 TRP A 10 14.069 -8.856 -6.266 1.00 0.00 H new ATOM 0 HE3 TRP A 10 11.127 -13.064 -4.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 13.566 -10.892 -8.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 11.290 -14.173 -6.611 1.00 0.00 H new ATOM 0 HH2 TRP A 10 12.478 -13.097 -8.480 1.00 0.00 H new ATOM 85 N GLY A 11 9.438 -12.391 -1.270 1.00 0.00 N ATOM 86 CA GLY A 11 8.890 -13.278 -0.223 1.00 0.00 C ATOM 87 C GLY A 11 8.156 -14.480 -0.848 1.00 0.00 C ATOM 88 O GLY A 11 7.191 -14.294 -1.598 1.00 0.00 O ATOM 0 H GLY A 11 9.455 -12.812 -2.199 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.697 -13.633 0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.203 -12.717 0.411 1.00 0.00 H new ATOM 89 N ALA A 12 8.581 -15.707 -0.488 1.00 0.00 N ATOM 90 CA ALA A 12 7.965 -16.982 -0.968 1.00 0.00 C ATOM 91 C ALA A 12 6.463 -17.183 -0.589 1.00 0.00 C ATOM 92 O ALA A 12 5.882 -16.372 0.140 1.00 0.00 O ATOM 93 CB ALA A 12 8.846 -18.129 -0.419 1.00 0.00 C ATOM 0 H ALA A 12 9.365 -15.853 0.147 1.00 0.00 H new ATOM 0 HA ALA A 12 7.941 -16.961 -2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.439 -19.087 -0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.862 -18.021 -0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.859 -18.089 0.670 1.00 0.00 H new ATOM 94 N LEU A 13 5.837 -18.270 -1.099 1.00 0.00 N ATOM 95 CA LEU A 13 4.392 -18.555 -0.876 1.00 0.00 C ATOM 96 C LEU A 13 4.027 -18.649 0.642 1.00 0.00 C ATOM 97 O LEU A 13 4.643 -19.399 1.404 1.00 0.00 O ATOM 98 CB LEU A 13 3.873 -19.860 -1.554 1.00 0.00 C ATOM 99 CG LEU A 13 3.740 -19.857 -3.103 1.00 0.00 C ATOM 100 CD1 LEU A 13 5.028 -20.277 -3.800 1.00 0.00 C ATOM 101 CD2 LEU A 13 2.592 -20.775 -3.575 1.00 0.00 C ATOM 0 H LEU A 13 6.310 -18.970 -1.671 1.00 0.00 H new ATOM 0 HA LEU A 13 3.903 -17.700 -1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.542 -20.674 -1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.895 -20.093 -1.132 1.00 0.00 H new ATOM 0 HG LEU A 13 3.519 -18.826 -3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.880 -20.258 -4.880 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.829 -19.588 -3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.298 -21.286 -3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.528 -20.748 -4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.785 -21.797 -3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.651 -20.429 -3.148 1.00 0.00 H new ATOM 102 N GLY A 14 3.027 -17.853 1.040 1.00 0.00 N ATOM 103 CA GLY A 14 2.532 -17.797 2.434 1.00 0.00 C ATOM 104 C GLY A 14 3.229 -16.705 3.264 1.00 0.00 C ATOM 105 O GLY A 14 3.999 -17.031 4.170 1.00 0.00 O ATOM 0 H GLY A 14 2.532 -17.225 0.407 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.458 -17.613 2.427 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.687 -18.765 2.910 1.00 0.00 H new ATOM 106 N GLN A 15 2.965 -15.429 2.927 1.00 0.00 N ATOM 107 CA GLN A 15 3.704 -14.274 3.509 1.00 0.00 C ATOM 108 C GLN A 15 2.736 -13.101 3.861 1.00 0.00 C ATOM 109 O GLN A 15 1.688 -12.923 3.230 1.00 0.00 O ATOM 110 CB GLN A 15 4.812 -13.848 2.494 1.00 0.00 C ATOM 111 CG GLN A 15 6.012 -13.062 3.070 1.00 0.00 C ATOM 112 CD GLN A 15 6.959 -13.904 3.942 1.00 0.00 C ATOM 113 OE1 GLN A 15 7.654 -14.797 3.455 1.00 0.00 O ATOM 114 NE2 GLN A 15 7.012 -13.641 5.239 1.00 0.00 N ATOM 0 H GLN A 15 2.246 -15.163 2.254 1.00 0.00 H new ATOM 0 HA GLN A 15 4.174 -14.561 4.450 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.194 -14.747 2.010 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.347 -13.240 1.718 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.581 -12.634 2.245 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.635 -12.229 3.663 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.433 -12.900 5.633 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.632 -14.180 5.844 1.00 0.00 H new ATOM 115 N ASP A 16 3.123 -12.279 4.860 1.00 0.00 N ATOM 116 CA ASP A 16 2.462 -10.975 5.147 1.00 0.00 C ATOM 117 C ASP A 16 3.437 -9.823 4.765 1.00 0.00 C ATOM 118 O ASP A 16 4.573 -9.759 5.248 1.00 0.00 O ATOM 119 CB ASP A 16 1.961 -10.918 6.611 1.00 0.00 C ATOM 120 CG ASP A 16 1.179 -9.655 7.035 1.00 0.00 C ATOM 121 OD1 ASP A 16 0.518 -9.013 6.189 1.00 0.00 O ATOM 122 OD2 ASP A 16 1.219 -9.308 8.237 1.00 0.00 O ATOM 0 H ASP A 16 3.896 -12.493 5.490 1.00 0.00 H new ATOM 0 HA ASP A 16 1.566 -10.857 4.538 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.324 -11.785 6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.824 -11.019 7.269 1.00 0.00 H new ATOM 123 N ILE A 17 2.969 -8.937 3.866 1.00 0.00 N ATOM 124 CA ILE A 17 3.810 -7.880 3.223 1.00 0.00 C ATOM 125 C ILE A 17 2.984 -6.550 3.216 1.00 0.00 C ATOM 126 O ILE A 17 1.882 -6.487 2.662 1.00 0.00 O ATOM 127 CB ILE A 17 4.315 -8.311 1.789 1.00 0.00 C ATOM 128 CG1 ILE A 17 5.187 -9.609 1.789 1.00 0.00 C ATOM 129 CG2 ILE A 17 5.084 -7.165 1.075 1.00 0.00 C ATOM 130 CD1 ILE A 17 5.595 -10.185 0.421 1.00 0.00 C ATOM 0 H ILE A 17 1.997 -8.924 3.557 1.00 0.00 H new ATOM 0 HA ILE A 17 4.725 -7.726 3.796 1.00 0.00 H new ATOM 0 HB ILE A 17 3.405 -8.535 1.233 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.097 -9.404 2.354 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.642 -10.382 2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.413 -7.504 0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.427 -6.303 0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.952 -6.883 1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.196 -11.082 0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.701 -10.437 -0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.178 -9.444 -0.126 1.00 0.00 H new ATOM 131 N ASN A 18 3.579 -5.475 3.762 1.00 0.00 N ATOM 132 CA ASN A 18 3.010 -4.092 3.725 1.00 0.00 C ATOM 133 C ASN A 18 3.331 -3.353 2.380 1.00 0.00 C ATOM 134 O ASN A 18 4.389 -3.597 1.785 1.00 0.00 O ATOM 135 CB ASN A 18 3.610 -3.240 4.889 1.00 0.00 C ATOM 136 CG ASN A 18 3.264 -3.651 6.340 1.00 0.00 C ATOM 137 OD1 ASN A 18 3.273 -4.827 6.708 1.00 0.00 O ATOM 138 ND2 ASN A 18 2.986 -2.688 7.207 1.00 0.00 N ATOM 0 H ASN A 18 4.474 -5.529 4.247 1.00 0.00 H new ATOM 0 HA ASN A 18 1.929 -4.195 3.823 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.695 -3.253 4.788 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.289 -2.208 4.748 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.780 -2.920 8.178 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.978 -1.714 6.903 1.00 0.00 H new ATOM 139 N LEU A 19 2.478 -2.383 1.968 1.00 0.00 N ATOM 140 CA LEU A 19 2.886 -1.293 1.023 1.00 0.00 C ATOM 141 C LEU A 19 2.716 0.048 1.761 1.00 0.00 C ATOM 142 O LEU A 19 1.609 0.556 1.955 1.00 0.00 O ATOM 143 CB LEU A 19 2.200 -1.245 -0.372 1.00 0.00 C ATOM 144 CG LEU A 19 2.430 -2.495 -1.252 1.00 0.00 C ATOM 145 CD1 LEU A 19 1.745 -2.269 -2.596 1.00 0.00 C ATOM 146 CD2 LEU A 19 3.910 -2.858 -1.530 1.00 0.00 C ATOM 0 H LEU A 19 1.505 -2.326 2.269 1.00 0.00 H new ATOM 0 HA LEU A 19 3.920 -1.512 0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.128 -1.111 -0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.562 -0.368 -0.909 1.00 0.00 H new ATOM 0 HG LEU A 19 2.017 -3.329 -0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.896 -3.141 -3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.677 -2.115 -2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.172 -1.390 -3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.955 -3.749 -2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.398 -2.029 -2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.421 -3.051 -0.587 1.00 0.00 H new ATOM 147 N ASP A 20 3.863 0.589 2.170 1.00 0.00 N ATOM 148 CA ASP A 20 3.956 1.776 3.055 1.00 0.00 C ATOM 149 C ASP A 20 5.141 2.620 2.508 1.00 0.00 C ATOM 150 O ASP A 20 6.275 2.122 2.446 1.00 0.00 O ATOM 151 CB ASP A 20 4.177 1.309 4.521 1.00 0.00 C ATOM 152 CG ASP A 20 4.207 2.446 5.551 1.00 0.00 C ATOM 153 OD1 ASP A 20 5.303 2.998 5.807 1.00 0.00 O ATOM 154 OD2 ASP A 20 3.142 2.795 6.101 1.00 0.00 O ATOM 0 H ASP A 20 4.774 0.218 1.898 1.00 0.00 H new ATOM 0 HA ASP A 20 3.047 2.378 3.061 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.384 0.612 4.791 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.117 0.760 4.577 1.00 0.00 H new ATOM 155 N ILE A 21 4.889 3.890 2.129 1.00 0.00 N ATOM 156 CA ILE A 21 5.936 4.785 1.549 1.00 0.00 C ATOM 157 C ILE A 21 6.355 5.861 2.623 1.00 0.00 C ATOM 158 O ILE A 21 5.577 6.794 2.848 1.00 0.00 O ATOM 159 CB ILE A 21 5.506 5.308 0.128 1.00 0.00 C ATOM 160 CG1 ILE A 21 6.690 5.700 -0.807 1.00 0.00 C ATOM 161 CG2 ILE A 21 4.390 6.377 0.102 1.00 0.00 C ATOM 162 CD1 ILE A 21 7.651 6.798 -0.330 1.00 0.00 C ATOM 0 H ILE A 21 3.971 4.328 2.211 1.00 0.00 H new ATOM 0 HA ILE A 21 6.857 4.244 1.333 1.00 0.00 H new ATOM 0 HB ILE A 21 5.050 4.411 -0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.277 4.802 -0.997 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.271 6.015 -1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.180 6.659 -0.930 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.487 5.971 0.558 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.715 7.256 0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 21 8.421 6.961 -1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.097 7.723 -0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 21 8.119 6.491 0.605 1.00 0.00 H new ATOM 163 N PRO A 22 7.545 5.798 3.300 1.00 0.00 N ATOM 164 CA PRO A 22 7.985 6.819 4.296 1.00 0.00 C ATOM 165 C PRO A 22 8.595 8.114 3.669 1.00 0.00 C ATOM 166 O PRO A 22 8.746 8.246 2.452 1.00 0.00 O ATOM 167 CB PRO A 22 8.986 5.999 5.141 1.00 0.00 C ATOM 168 CG PRO A 22 9.615 4.999 4.168 1.00 0.00 C ATOM 169 CD PRO A 22 8.472 4.650 3.217 1.00 0.00 C ATOM 0 HA PRO A 22 7.164 7.245 4.872 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.744 6.643 5.587 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.481 5.486 5.960 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.460 5.436 3.635 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.988 4.116 4.687 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.834 4.508 2.199 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.981 3.723 3.513 1.00 0.00 H new ATOM 170 N SER A 23 8.917 9.083 4.550 1.00 0.00 N ATOM 171 CA SER A 23 9.404 10.446 4.172 1.00 0.00 C ATOM 172 C SER A 23 8.291 11.279 3.474 1.00 0.00 C ATOM 173 O SER A 23 8.303 11.473 2.251 1.00 0.00 O ATOM 174 CB SER A 23 10.760 10.461 3.423 1.00 0.00 C ATOM 175 OG SER A 23 11.774 9.800 4.168 1.00 0.00 O ATOM 0 H SER A 23 8.849 8.950 5.559 1.00 0.00 H new ATOM 0 HA SER A 23 9.633 10.951 5.110 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.646 9.977 2.453 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.060 11.491 3.232 1.00 0.00 H new ATOM 0 HG SER A 23 12.616 9.825 3.668 1.00 0.00 H new ATOM 176 N PHE A 24 7.311 11.723 4.280 1.00 0.00 N ATOM 177 CA PHE A 24 6.097 12.417 3.781 1.00 0.00 C ATOM 178 C PHE A 24 5.687 13.450 4.869 1.00 0.00 C ATOM 179 O PHE A 24 5.481 13.098 6.037 1.00 0.00 O ATOM 180 CB PHE A 24 4.965 11.380 3.479 1.00 0.00 C ATOM 181 CG PHE A 24 3.996 11.710 2.324 1.00 0.00 C ATOM 182 CD1 PHE A 24 3.358 12.955 2.209 1.00 0.00 C ATOM 183 CD2 PHE A 24 3.711 10.719 1.378 1.00 0.00 C ATOM 184 CE1 PHE A 24 2.498 13.214 1.148 1.00 0.00 C ATOM 185 CE2 PHE A 24 2.843 10.977 0.323 1.00 0.00 C ATOM 186 CZ PHE A 24 2.245 12.226 0.203 1.00 0.00 C ATOM 0 H PHE A 24 7.332 11.614 5.294 1.00 0.00 H new ATOM 0 HA PHE A 24 6.286 12.937 2.842 1.00 0.00 H new ATOM 0 HB2 PHE A 24 5.435 10.421 3.262 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.376 11.249 4.387 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.537 13.719 2.952 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.169 9.745 1.468 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.027 14.182 1.058 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.633 10.206 -0.404 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.583 12.429 -0.626 1.00 0.00 H new ATOM 187 N GLN A 25 5.517 14.721 4.459 1.00 0.00 N ATOM 188 CA GLN A 25 5.014 15.817 5.343 1.00 0.00 C ATOM 189 C GLN A 25 3.548 15.583 5.851 1.00 0.00 C ATOM 190 O GLN A 25 2.839 14.699 5.356 1.00 0.00 O ATOM 191 CB GLN A 25 5.176 17.173 4.602 1.00 0.00 C ATOM 192 CG GLN A 25 6.640 17.626 4.372 1.00 0.00 C ATOM 193 CD GLN A 25 6.757 18.941 3.581 1.00 0.00 C ATOM 194 OE1 GLN A 25 6.760 18.944 2.351 1.00 0.00 O ATOM 195 NE2 GLN A 25 6.860 20.071 4.262 1.00 0.00 N ATOM 0 H GLN A 25 5.721 15.028 3.508 1.00 0.00 H new ATOM 0 HA GLN A 25 5.616 15.828 6.251 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.678 17.103 3.635 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.659 17.945 5.172 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.131 17.747 5.338 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.176 16.841 3.838 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.856 20.054 5.282 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.943 20.959 3.767 1.00 0.00 H new ATOM 196 N MET A 26 3.141 16.360 6.878 1.00 0.00 N ATOM 197 CA MET A 26 1.985 16.074 7.788 1.00 0.00 C ATOM 198 C MET A 26 0.751 15.273 7.255 1.00 0.00 C ATOM 199 O MET A 26 0.225 15.567 6.176 1.00 0.00 O ATOM 200 CB MET A 26 1.529 17.386 8.489 1.00 0.00 C ATOM 201 CG MET A 26 0.825 18.451 7.627 1.00 0.00 C ATOM 202 SD MET A 26 0.354 19.851 8.665 1.00 0.00 S ATOM 203 CE MET A 26 -0.645 20.813 7.510 1.00 0.00 C ATOM 0 H MET A 26 3.615 17.232 7.113 1.00 0.00 H new ATOM 0 HA MET A 26 2.416 15.349 8.478 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.856 17.115 9.303 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.407 17.847 8.941 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.488 18.784 6.828 1.00 0.00 H new ATOM 0 HG3 MET A 26 -0.058 18.024 7.152 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.009 21.713 8.006 1.00 0.00 H new ATOM 0 HE2 MET A 26 -0.037 21.094 6.650 1.00 0.00 H new ATOM 0 HE3 MET A 26 -1.492 20.214 7.176 1.00 0.00 H new ATOM 204 N SER A 27 0.292 14.287 8.049 1.00 0.00 N ATOM 205 CA SER A 27 -0.902 13.453 7.719 1.00 0.00 C ATOM 206 C SER A 27 -2.295 14.163 7.668 1.00 0.00 C ATOM 207 O SER A 27 -3.201 13.630 7.018 1.00 0.00 O ATOM 208 CB SER A 27 -0.934 12.261 8.705 1.00 0.00 C ATOM 209 OG SER A 27 -1.865 11.270 8.285 1.00 0.00 O ATOM 0 H SER A 27 0.730 14.039 8.936 1.00 0.00 H new ATOM 0 HA SER A 27 -0.762 13.149 6.682 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.060 11.821 8.780 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.201 12.616 9.700 1.00 0.00 H new ATOM 0 HG SER A 27 -1.864 10.528 8.925 1.00 0.00 H new ATOM 210 N ASP A 28 -2.469 15.329 8.330 1.00 0.00 N ATOM 211 CA ASP A 28 -3.763 16.070 8.417 1.00 0.00 C ATOM 212 C ASP A 28 -4.485 16.371 7.067 1.00 0.00 C ATOM 213 O ASP A 28 -5.675 16.058 6.956 1.00 0.00 O ATOM 214 CB ASP A 28 -3.585 17.391 9.225 1.00 0.00 C ATOM 215 CG ASP A 28 -3.157 17.226 10.693 1.00 0.00 C ATOM 216 OD1 ASP A 28 -4.021 16.928 11.546 1.00 0.00 O ATOM 217 OD2 ASP A 28 -1.954 17.389 10.991 1.00 0.00 O ATOM 0 H ASP A 28 -1.710 15.794 8.828 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.424 15.375 8.934 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -2.844 18.008 8.717 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.527 17.939 9.200 1.00 0.00 H new ATOM 218 N ASP A 29 -3.784 16.943 6.062 1.00 0.00 N ATOM 219 CA ASP A 29 -4.370 17.202 4.716 1.00 0.00 C ATOM 220 C ASP A 29 -3.788 16.203 3.670 1.00 0.00 C ATOM 221 O ASP A 29 -2.994 16.573 2.799 1.00 0.00 O ATOM 222 CB ASP A 29 -4.183 18.694 4.321 1.00 0.00 C ATOM 223 CG ASP A 29 -5.030 19.689 5.133 1.00 0.00 C ATOM 224 OD1 ASP A 29 -6.231 19.845 4.830 1.00 0.00 O ATOM 225 OD2 ASP A 29 -4.494 20.309 6.082 1.00 0.00 O ATOM 0 H ASP A 29 -2.811 17.236 6.152 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.445 17.026 4.743 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.131 18.956 4.436 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.427 18.809 3.265 1.00 0.00 H new ATOM 226 N ILE A 30 -4.224 14.929 3.760 1.00 0.00 N ATOM 227 CA ILE A 30 -3.932 13.881 2.736 1.00 0.00 C ATOM 228 C ILE A 30 -5.218 12.998 2.704 1.00 0.00 C ATOM 229 O ILE A 30 -5.535 12.326 3.695 1.00 0.00 O ATOM 230 CB ILE A 30 -2.640 13.012 2.983 1.00 0.00 C ATOM 231 CG1 ILE A 30 -1.348 13.817 3.324 1.00 0.00 C ATOM 232 CG2 ILE A 30 -2.384 12.105 1.746 1.00 0.00 C ATOM 233 CD1 ILE A 30 -0.127 12.981 3.732 1.00 0.00 C ATOM 0 H ILE A 30 -4.788 14.590 4.539 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.700 14.362 1.786 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.851 12.423 3.876 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.079 14.419 2.456 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.577 14.509 4.134 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.491 11.503 1.915 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.240 11.448 1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.241 12.727 0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.712 13.643 3.946 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.366 12.398 4.622 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.141 12.307 2.918 1.00 0.00 H new ATOM 234 N ASP A 31 -5.931 12.991 1.562 1.00 0.00 N ATOM 235 CA ASP A 31 -7.242 12.288 1.428 1.00 0.00 C ATOM 236 C ASP A 31 -7.153 10.954 0.618 1.00 0.00 C ATOM 237 O ASP A 31 -7.596 9.918 1.119 1.00 0.00 O ATOM 238 CB ASP A 31 -8.304 13.279 0.859 1.00 0.00 C ATOM 239 CG ASP A 31 -9.695 13.174 1.501 1.00 0.00 C ATOM 240 OD1 ASP A 31 -10.339 12.109 1.392 1.00 0.00 O ATOM 241 OD2 ASP A 31 -10.149 14.161 2.123 1.00 0.00 O ATOM 0 H ASP A 31 -5.628 13.463 0.710 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.560 11.972 2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.936 14.297 0.988 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.401 13.109 -0.213 1.00 0.00 H new ATOM 242 N ASP A 32 -6.621 10.987 -0.623 1.00 0.00 N ATOM 243 CA ASP A 32 -6.662 9.832 -1.571 1.00 0.00 C ATOM 244 C ASP A 32 -5.324 9.040 -1.542 1.00 0.00 C ATOM 245 O ASP A 32 -4.235 9.627 -1.605 1.00 0.00 O ATOM 246 CB ASP A 32 -6.922 10.349 -3.016 1.00 0.00 C ATOM 247 CG ASP A 32 -8.317 10.916 -3.336 1.00 0.00 C ATOM 248 OD1 ASP A 32 -8.838 11.758 -2.565 1.00 0.00 O ATOM 249 OD2 ASP A 32 -8.895 10.530 -4.374 1.00 0.00 O ATOM 0 H ASP A 32 -6.151 11.808 -1.003 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.468 9.166 -1.263 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.188 11.125 -3.231 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.728 9.527 -3.705 1.00 0.00 H new ATOM 250 N ILE A 33 -5.438 7.699 -1.463 1.00 0.00 N ATOM 251 CA ILE A 33 -4.265 6.782 -1.332 1.00 0.00 C ATOM 252 C ILE A 33 -4.469 5.702 -2.433 1.00 0.00 C ATOM 253 O ILE A 33 -5.216 4.738 -2.228 1.00 0.00 O ATOM 254 CB ILE A 33 -4.138 6.158 0.105 1.00 0.00 C ATOM 255 CG1 ILE A 33 -4.073 7.204 1.258 1.00 0.00 C ATOM 256 CG2 ILE A 33 -2.927 5.192 0.223 1.00 0.00 C ATOM 257 CD1 ILE A 33 -4.663 6.696 2.578 1.00 0.00 C ATOM 0 H ILE A 33 -6.335 7.214 -1.487 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.326 7.319 -1.466 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.065 5.599 0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.034 7.490 1.420 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.608 8.103 0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.882 4.787 1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.042 4.376 -0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.006 5.735 0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.584 7.476 3.336 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.712 6.437 2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.113 5.814 2.907 1.00 0.00 H new ATOM 258 N LYS A 34 -3.797 5.869 -3.586 1.00 0.00 N ATOM 259 CA LYS A 34 -3.989 4.983 -4.763 1.00 0.00 C ATOM 260 C LYS A 34 -2.756 4.085 -5.001 1.00 0.00 C ATOM 261 O LYS A 34 -1.606 4.533 -4.947 1.00 0.00 O ATOM 262 CB LYS A 34 -4.353 5.879 -5.988 1.00 0.00 C ATOM 263 CG LYS A 34 -4.748 5.134 -7.288 1.00 0.00 C ATOM 264 CD LYS A 34 -3.589 4.909 -8.280 1.00 0.00 C ATOM 265 CE LYS A 34 -3.329 6.113 -9.199 1.00 0.00 C ATOM 266 NZ LYS A 34 -2.103 5.936 -9.986 1.00 0.00 N ATOM 0 H LYS A 34 -3.112 6.610 -3.734 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.810 4.287 -4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.179 6.531 -5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.501 6.522 -6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.173 4.166 -7.021 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.533 5.699 -7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.680 4.685 -7.721 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.810 4.035 -8.893 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.177 6.249 -9.870 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.249 7.019 -8.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.819 6.849 -10.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.343 5.582 -9.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.277 5.252 -10.750 1.00 0.00 H new ATOM 267 N TRP A 35 -3.043 2.807 -5.307 1.00 0.00 N ATOM 268 CA TRP A 35 -2.017 1.803 -5.657 1.00 0.00 C ATOM 269 C TRP A 35 -2.553 1.047 -6.905 1.00 0.00 C ATOM 270 O TRP A 35 -3.446 0.190 -6.825 1.00 0.00 O ATOM 271 CB TRP A 35 -1.751 0.885 -4.441 1.00 0.00 C ATOM 272 CG TRP A 35 -0.819 1.500 -3.389 1.00 0.00 C ATOM 273 CD1 TRP A 35 -1.185 2.109 -2.197 1.00 0.00 C ATOM 274 CD2 TRP A 35 0.538 1.447 -3.337 1.00 0.00 C ATOM 275 NE1 TRP A 35 -0.102 2.401 -1.357 1.00 0.00 N ATOM 276 CE2 TRP A 35 0.978 1.976 -2.098 1.00 0.00 C ATOM 277 CE3 TRP A 35 1.444 0.913 -4.250 1.00 0.00 C ATOM 278 CZ2 TRP A 35 2.350 1.956 -1.767 1.00 0.00 C ATOM 279 CZ3 TRP A 35 2.785 0.863 -3.909 1.00 0.00 C ATOM 280 CH2 TRP A 35 3.230 1.359 -2.675 1.00 0.00 C ATOM 0 H TRP A 35 -3.994 2.439 -5.319 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.053 2.248 -5.902 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -2.702 0.639 -3.969 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -1.318 -0.051 -4.793 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.209 2.337 -1.941 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.111 2.823 -0.428 1.00 0.00 H new ATOM 0 HE3 TRP A 35 1.106 0.544 -5.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.708 2.387 -0.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 3.496 0.437 -4.601 1.00 0.00 H new ATOM 0 HH2 TRP A 35 4.276 1.278 -2.420 1.00 0.00 H new ATOM 281 N GLU A 36 -1.966 1.420 -8.061 1.00 0.00 N ATOM 282 CA GLU A 36 -2.247 0.779 -9.379 1.00 0.00 C ATOM 283 C GLU A 36 -1.334 -0.452 -9.627 1.00 0.00 C ATOM 284 O GLU A 36 -0.598 -0.873 -8.731 1.00 0.00 O ATOM 285 CB GLU A 36 -2.243 1.842 -10.525 1.00 0.00 C ATOM 286 CG GLU A 36 -0.885 2.482 -10.895 1.00 0.00 C ATOM 287 CD GLU A 36 -0.871 3.133 -12.282 1.00 0.00 C ATOM 288 OE1 GLU A 36 -0.602 2.428 -13.278 1.00 0.00 O ATOM 289 OE2 GLU A 36 -1.125 4.351 -12.385 1.00 0.00 O ATOM 0 H GLU A 36 -1.282 2.174 -8.115 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.257 0.368 -9.366 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.650 1.373 -11.421 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.928 2.642 -10.245 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.631 3.234 -10.148 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.109 1.717 -10.854 1.00 0.00 H new ATOM 290 N LYS A 37 -1.397 -1.025 -10.844 1.00 0.00 N ATOM 291 CA LYS A 37 -0.406 -2.044 -11.296 1.00 0.00 C ATOM 292 C LYS A 37 0.588 -1.463 -12.343 1.00 0.00 C ATOM 293 O LYS A 37 0.363 -0.391 -12.914 1.00 0.00 O ATOM 294 CB LYS A 37 -1.138 -3.357 -11.683 1.00 0.00 C ATOM 295 CG LYS A 37 -2.039 -3.352 -12.940 1.00 0.00 C ATOM 296 CD LYS A 37 -3.067 -4.503 -12.969 1.00 0.00 C ATOM 297 CE LYS A 37 -2.443 -5.900 -13.139 1.00 0.00 C ATOM 298 NZ LYS A 37 -3.471 -6.958 -13.107 1.00 0.00 N ATOM 0 H LYS A 37 -2.116 -0.807 -11.534 1.00 0.00 H new ATOM 0 HA LYS A 37 0.254 -2.324 -10.475 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.383 -4.131 -11.819 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.753 -3.657 -10.835 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.569 -2.401 -12.993 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.410 -3.416 -13.828 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.643 -4.484 -12.044 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.768 -4.329 -13.785 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.902 -5.945 -14.084 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.715 -6.074 -12.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.017 -7.886 -13.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.970 -6.929 -12.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.151 -6.805 -13.879 1.00 0.00 H new ATOM 299 N THR A 38 1.717 -2.163 -12.568 1.00 0.00 N ATOM 300 CA THR A 38 2.659 -1.837 -13.683 1.00 0.00 C ATOM 301 C THR A 38 2.889 -3.117 -14.530 1.00 0.00 C ATOM 302 O THR A 38 3.899 -3.821 -14.406 1.00 0.00 O ATOM 303 CB THR A 38 3.970 -1.123 -13.228 1.00 0.00 C ATOM 304 OG1 THR A 38 4.532 -1.727 -12.069 1.00 0.00 O ATOM 305 CG2 THR A 38 3.776 0.375 -12.950 1.00 0.00 C ATOM 0 H THR A 38 2.008 -2.958 -11.999 1.00 0.00 H new ATOM 0 HA THR A 38 2.196 -1.081 -14.318 1.00 0.00 H new ATOM 0 HB THR A 38 4.653 -1.235 -14.070 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.352 -1.252 -11.817 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.724 0.813 -12.638 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.428 0.871 -13.856 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.038 0.506 -12.159 1.00 0.00 H new ATOM 306 N SER A 39 1.910 -3.370 -15.414 1.00 0.00 N ATOM 307 CA SER A 39 1.972 -4.405 -16.478 1.00 0.00 C ATOM 308 C SER A 39 0.999 -3.931 -17.596 1.00 0.00 C ATOM 309 O SER A 39 1.465 -3.462 -18.644 1.00 0.00 O ATOM 310 CB SER A 39 1.760 -5.852 -15.957 1.00 0.00 C ATOM 311 OG SER A 39 0.534 -6.005 -15.245 1.00 0.00 O ATOM 0 H SER A 39 1.031 -2.853 -15.415 1.00 0.00 H new ATOM 0 HA SER A 39 2.976 -4.491 -16.894 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.775 -6.543 -16.800 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.590 -6.125 -15.306 1.00 0.00 H new ATOM 0 HG SER A 39 0.447 -6.932 -14.940 1.00 0.00 H new ATOM 312 N ASP A 40 -0.330 -3.966 -17.351 1.00 0.00 N ATOM 313 CA ASP A 40 -1.325 -3.162 -18.122 1.00 0.00 C ATOM 314 C ASP A 40 -1.493 -1.663 -17.682 1.00 0.00 C ATOM 315 O ASP A 40 -1.928 -0.865 -18.516 1.00 0.00 O ATOM 316 CB ASP A 40 -2.682 -3.916 -18.204 1.00 0.00 C ATOM 317 CG ASP A 40 -3.449 -4.176 -16.893 1.00 0.00 C ATOM 318 OD1 ASP A 40 -3.833 -3.201 -16.212 1.00 0.00 O ATOM 319 OD2 ASP A 40 -3.676 -5.357 -16.551 1.00 0.00 O ATOM 0 H ASP A 40 -0.748 -4.544 -16.622 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.903 -3.069 -19.123 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.337 -3.351 -18.867 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.500 -4.879 -18.680 1.00 0.00 H new ATOM 320 N LYS A 41 -1.185 -1.282 -16.415 1.00 0.00 N ATOM 321 CA LYS A 41 -1.321 0.108 -15.878 1.00 0.00 C ATOM 322 C LYS A 41 -2.796 0.435 -15.540 1.00 0.00 C ATOM 323 O LYS A 41 -3.497 1.066 -16.338 1.00 0.00 O ATOM 324 CB LYS A 41 -0.589 1.233 -16.664 1.00 0.00 C ATOM 325 CG LYS A 41 0.952 1.128 -16.617 1.00 0.00 C ATOM 326 CD LYS A 41 1.706 2.111 -17.540 1.00 0.00 C ATOM 327 CE LYS A 41 1.884 1.656 -19.004 1.00 0.00 C ATOM 328 NZ LYS A 41 0.672 1.800 -19.835 1.00 0.00 N ATOM 0 H LYS A 41 -0.829 -1.940 -15.722 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.756 0.100 -14.946 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.914 1.207 -17.704 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.890 2.200 -16.261 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.280 1.293 -15.591 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.239 0.111 -16.884 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.174 3.063 -17.537 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.692 2.296 -17.114 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.691 2.232 -19.456 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.195 0.611 -19.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.937 1.789 -20.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.022 1.012 -19.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.202 2.700 -19.611 1.00 0.00 H new ATOM 329 N LYS A 42 -3.264 -0.032 -14.358 1.00 0.00 N ATOM 330 CA LYS A 42 -4.685 0.114 -13.943 1.00 0.00 C ATOM 331 C LYS A 42 -4.835 -0.043 -12.409 1.00 0.00 C ATOM 332 O LYS A 42 -4.299 -0.977 -11.806 1.00 0.00 O ATOM 333 CB LYS A 42 -5.585 -0.878 -14.744 1.00 0.00 C ATOM 334 CG LYS A 42 -7.115 -0.638 -14.743 1.00 0.00 C ATOM 335 CD LYS A 42 -7.933 -1.223 -13.573 1.00 0.00 C ATOM 336 CE LYS A 42 -7.890 -2.763 -13.453 1.00 0.00 C ATOM 337 NZ LYS A 42 -8.734 -3.247 -12.352 1.00 0.00 N ATOM 0 H LYS A 42 -2.681 -0.513 -13.674 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.025 1.122 -14.182 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.247 -0.872 -15.780 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.404 -1.880 -14.355 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.285 0.438 -14.766 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.519 -1.044 -15.670 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.567 -0.791 -12.642 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.972 -0.911 -13.683 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.222 -3.210 -14.390 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.862 -3.087 -13.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.679 -4.284 -12.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.401 -2.840 -11.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.720 -2.960 -12.518 1.00 0.00 H new ATOM 338 N LYS A 43 -5.632 0.872 -11.809 1.00 0.00 N ATOM 339 CA LYS A 43 -5.975 0.906 -10.354 1.00 0.00 C ATOM 340 C LYS A 43 -6.484 -0.459 -9.814 1.00 0.00 C ATOM 341 O LYS A 43 -7.622 -0.860 -10.071 1.00 0.00 O ATOM 342 CB LYS A 43 -7.028 2.004 -10.022 1.00 0.00 C ATOM 343 CG LYS A 43 -6.697 3.471 -10.392 1.00 0.00 C ATOM 344 CD LYS A 43 -7.100 3.938 -11.810 1.00 0.00 C ATOM 345 CE LYS A 43 -8.618 3.936 -12.077 1.00 0.00 C ATOM 346 NZ LYS A 43 -8.933 4.427 -13.428 1.00 0.00 N ATOM 0 H LYS A 43 -6.070 1.631 -12.331 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.036 1.144 -9.854 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.958 1.736 -10.523 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.221 1.967 -8.950 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.185 4.123 -9.668 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.623 3.616 -10.278 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.717 4.946 -11.969 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.614 3.293 -12.543 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.007 2.925 -11.957 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.119 4.560 -11.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.963 4.411 -13.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.583 5.401 -13.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.476 3.816 -14.135 1.00 0.00 H new ATOM 347 N ILE A 44 -5.604 -1.175 -9.097 1.00 0.00 N ATOM 348 CA ILE A 44 -5.908 -2.533 -8.569 1.00 0.00 C ATOM 349 C ILE A 44 -6.644 -2.445 -7.191 1.00 0.00 C ATOM 350 O ILE A 44 -7.697 -3.080 -7.062 1.00 0.00 O ATOM 351 CB ILE A 44 -4.674 -3.486 -8.762 1.00 0.00 C ATOM 352 CG1 ILE A 44 -5.045 -4.974 -9.027 1.00 0.00 C ATOM 353 CG2 ILE A 44 -3.524 -3.287 -7.751 1.00 0.00 C ATOM 354 CD1 ILE A 44 -5.528 -5.834 -7.854 1.00 0.00 C ATOM 0 H ILE A 44 -4.669 -0.842 -8.864 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.662 -3.059 -9.154 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.242 -3.144 -9.703 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.823 -4.989 -9.790 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.169 -5.461 -9.455 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.722 -3.992 -7.969 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.144 -2.268 -7.828 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.894 -3.460 -6.740 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.744 -6.842 -8.207 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.752 -5.876 -7.090 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.432 -5.396 -7.430 1.00 0.00 H new ATOM 355 N ALA A 45 -6.209 -1.605 -6.212 1.00 0.00 N ATOM 356 CA ALA A 45 -7.143 -1.011 -5.220 1.00 0.00 C ATOM 357 C ALA A 45 -6.868 0.529 -5.125 1.00 0.00 C ATOM 358 O ALA A 45 -5.784 1.027 -5.464 1.00 0.00 O ATOM 359 CB ALA A 45 -7.025 -1.782 -3.888 1.00 0.00 C ATOM 0 H ALA A 45 -5.235 -1.329 -6.091 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.185 -1.110 -5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.708 -1.351 -3.156 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.281 -2.829 -4.050 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.003 -1.711 -3.516 1.00 0.00 H new ATOM 360 N GLN A 46 -7.860 1.294 -4.632 1.00 0.00 N ATOM 361 CA GLN A 46 -7.747 2.772 -4.473 1.00 0.00 C ATOM 362 C GLN A 46 -8.681 3.260 -3.320 1.00 0.00 C ATOM 363 O GLN A 46 -9.800 2.767 -3.131 1.00 0.00 O ATOM 364 CB GLN A 46 -8.109 3.456 -5.837 1.00 0.00 C ATOM 365 CG GLN A 46 -8.191 5.004 -5.853 1.00 0.00 C ATOM 366 CD GLN A 46 -8.516 5.650 -7.211 1.00 0.00 C ATOM 367 OE1 GLN A 46 -9.100 5.046 -8.114 1.00 0.00 O ATOM 368 NE2 GLN A 46 -8.182 6.920 -7.363 1.00 0.00 N ATOM 0 H GLN A 46 -8.759 0.917 -4.332 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.727 3.046 -4.204 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -7.369 3.149 -6.576 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.071 3.063 -6.167 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.950 5.315 -5.135 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -7.238 5.402 -5.503 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.699 7.414 -6.612 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.407 7.406 -8.231 1.00 0.00 H new ATOM 369 N PHE A 47 -8.216 4.311 -2.618 1.00 0.00 N ATOM 370 CA PHE A 47 -9.045 5.108 -1.672 1.00 0.00 C ATOM 371 C PHE A 47 -9.281 6.536 -2.220 1.00 0.00 C ATOM 372 O PHE A 47 -8.375 7.186 -2.756 1.00 0.00 O ATOM 373 CB PHE A 47 -8.369 5.185 -0.263 1.00 0.00 C ATOM 374 CG PHE A 47 -8.991 4.228 0.768 1.00 0.00 C ATOM 375 CD1 PHE A 47 -8.969 2.846 0.552 1.00 0.00 C ATOM 376 CD2 PHE A 47 -9.659 4.740 1.885 1.00 0.00 C ATOM 377 CE1 PHE A 47 -9.637 1.990 1.420 1.00 0.00 C ATOM 378 CE2 PHE A 47 -10.296 3.877 2.777 1.00 0.00 C ATOM 379 CZ PHE A 47 -10.279 2.503 2.546 1.00 0.00 C ATOM 0 H PHE A 47 -7.252 4.638 -2.686 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.007 4.606 -1.570 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.308 4.957 -0.365 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.441 6.206 0.111 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.431 2.442 -0.293 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.682 5.806 2.057 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.659 0.928 1.222 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.802 4.273 3.645 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.764 1.834 3.241 1.00 0.00 H new ATOM 380 N ARG A 48 -10.505 7.028 -1.956 1.00 0.00 N ATOM 381 CA ARG A 48 -10.832 8.476 -2.006 1.00 0.00 C ATOM 382 C ARG A 48 -11.504 9.020 -0.711 1.00 0.00 C ATOM 383 O ARG A 48 -11.184 10.147 -0.325 1.00 0.00 O ATOM 384 CB ARG A 48 -11.600 8.866 -3.300 1.00 0.00 C ATOM 385 CG ARG A 48 -13.014 8.263 -3.505 1.00 0.00 C ATOM 386 CD ARG A 48 -13.773 8.785 -4.741 1.00 0.00 C ATOM 387 NE ARG A 48 -13.237 8.274 -6.032 1.00 0.00 N ATOM 388 CZ ARG A 48 -12.446 8.974 -6.871 1.00 0.00 C ATOM 389 NH1 ARG A 48 -11.990 10.199 -6.621 1.00 0.00 N ATOM 390 NH2 ARG A 48 -12.097 8.405 -8.010 1.00 0.00 N ATOM 0 H ARG A 48 -11.298 6.439 -1.702 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.870 8.987 -2.051 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.691 9.952 -3.322 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.986 8.580 -4.154 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -12.922 7.180 -3.585 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -13.612 8.468 -2.617 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.823 8.504 -4.657 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.734 9.874 -4.747 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.487 7.323 -6.303 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.236 10.666 -5.748 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.395 10.670 -7.302 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.425 7.465 -8.232 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -11.500 8.906 -8.668 1.00 0.00 H new ATOM 391 N LYS A 49 -12.445 8.286 -0.075 1.00 0.00 N ATOM 392 CA LYS A 49 -13.272 8.775 1.070 1.00 0.00 C ATOM 393 C LYS A 49 -14.264 9.887 0.605 1.00 0.00 C ATOM 394 O LYS A 49 -14.041 11.075 0.858 1.00 0.00 O ATOM 395 CB LYS A 49 -12.399 9.103 2.324 1.00 0.00 C ATOM 396 CG LYS A 49 -13.106 9.183 3.701 1.00 0.00 C ATOM 397 CD LYS A 49 -13.820 10.517 4.026 1.00 0.00 C ATOM 398 CE LYS A 49 -14.334 10.659 5.477 1.00 0.00 C ATOM 399 NZ LYS A 49 -13.249 10.764 6.474 1.00 0.00 N ATOM 0 H LYS A 49 -12.660 7.325 -0.340 1.00 0.00 H new ATOM 0 HA LYS A 49 -13.916 7.970 1.424 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.617 8.347 2.393 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.905 10.058 2.146 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.840 8.379 3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.366 8.993 4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.132 11.337 3.821 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.665 10.632 3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.968 11.543 5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.959 9.799 5.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.659 10.857 7.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.657 9.910 6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.666 11.599 6.266 1.00 0.00 H new ATOM 400 N GLU A 50 -15.326 9.462 -0.103 1.00 0.00 N ATOM 401 CA GLU A 50 -16.473 10.313 -0.517 1.00 0.00 C ATOM 402 C GLU A 50 -17.473 9.427 -1.329 1.00 0.00 C ATOM 403 O GLU A 50 -17.569 9.554 -2.553 1.00 0.00 O ATOM 404 CB GLU A 50 -16.144 11.668 -1.220 1.00 0.00 C ATOM 405 CG GLU A 50 -15.159 11.638 -2.416 1.00 0.00 C ATOM 406 CD GLU A 50 -14.802 13.036 -2.926 1.00 0.00 C ATOM 407 OE1 GLU A 50 -15.644 13.668 -3.603 1.00 0.00 O ATOM 408 OE2 GLU A 50 -13.675 13.508 -2.659 1.00 0.00 O ATOM 0 H GLU A 50 -15.419 8.495 -0.414 1.00 0.00 H new ATOM 0 HA GLU A 50 -16.929 10.675 0.404 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -17.081 12.101 -1.568 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -15.739 12.346 -0.469 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.247 11.122 -2.117 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.600 11.061 -3.229 1.00 0.00 H new ATOM 409 N LYS A 51 -18.193 8.526 -0.622 1.00 0.00 N ATOM 410 CA LYS A 51 -19.013 7.412 -1.193 1.00 0.00 C ATOM 411 C LYS A 51 -18.620 6.800 -2.572 1.00 0.00 C ATOM 412 O LYS A 51 -18.841 7.388 -3.634 1.00 0.00 O ATOM 413 CB LYS A 51 -20.540 7.572 -1.015 1.00 0.00 C ATOM 414 CG LYS A 51 -21.220 8.806 -1.648 1.00 0.00 C ATOM 415 CD LYS A 51 -22.748 8.896 -1.428 1.00 0.00 C ATOM 416 CE LYS A 51 -23.230 9.401 -0.049 1.00 0.00 C ATOM 417 NZ LYS A 51 -23.174 8.386 1.021 1.00 0.00 N ATOM 0 H LYS A 51 -18.226 8.548 0.397 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.686 6.620 -0.519 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.019 6.682 -1.423 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.752 7.586 0.054 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.756 9.705 -1.243 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -21.022 8.801 -2.720 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -23.162 9.553 -2.193 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -23.173 7.906 -1.594 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.622 10.256 0.245 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -24.256 9.757 -0.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.866 8.622 1.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -23.397 7.451 0.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -22.219 8.369 1.433 1.00 0.00 H new ATOM 418 N GLU A 52 -18.040 5.601 -2.459 1.00 0.00 N ATOM 419 CA GLU A 52 -17.417 4.786 -3.543 1.00 0.00 C ATOM 420 C GLU A 52 -15.916 4.670 -3.184 1.00 0.00 C ATOM 421 O GLU A 52 -15.157 5.639 -3.302 1.00 0.00 O ATOM 422 CB GLU A 52 -17.646 5.157 -5.044 1.00 0.00 C ATOM 423 CG GLU A 52 -17.258 4.088 -6.097 1.00 0.00 C ATOM 424 CD GLU A 52 -15.764 4.013 -6.441 1.00 0.00 C ATOM 425 OE1 GLU A 52 -15.232 4.978 -7.035 1.00 0.00 O ATOM 426 OE2 GLU A 52 -15.116 2.991 -6.121 1.00 0.00 O ATOM 0 H GLU A 52 -17.982 5.131 -1.556 1.00 0.00 H new ATOM 0 HA GLU A 52 -17.959 3.840 -3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -18.701 5.397 -5.177 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -17.083 6.065 -5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -17.579 3.112 -5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -17.815 4.286 -7.013 1.00 0.00 H new ATOM 427 N THR A 53 -15.512 3.467 -2.751 1.00 0.00 N ATOM 428 CA THR A 53 -14.118 3.158 -2.341 1.00 0.00 C ATOM 429 C THR A 53 -13.777 1.780 -2.983 1.00 0.00 C ATOM 430 O THR A 53 -14.528 0.806 -2.841 1.00 0.00 O ATOM 431 CB THR A 53 -14.012 3.161 -0.787 1.00 0.00 C ATOM 432 OG1 THR A 53 -14.454 4.408 -0.255 1.00 0.00 O ATOM 433 CG2 THR A 53 -12.587 2.956 -0.258 1.00 0.00 C ATOM 0 H THR A 53 -16.142 2.669 -2.672 1.00 0.00 H new ATOM 0 HA THR A 53 -13.399 3.903 -2.683 1.00 0.00 H new ATOM 0 HB THR A 53 -14.636 2.325 -0.470 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.382 4.391 0.722 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.598 2.971 0.832 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.205 1.996 -0.604 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.944 3.756 -0.625 1.00 0.00 H new ATOM 434 N PHE A 54 -12.635 1.707 -3.691 1.00 0.00 N ATOM 435 CA PHE A 54 -12.251 0.512 -4.488 1.00 0.00 C ATOM 436 C PHE A 54 -11.469 -0.491 -3.584 1.00 0.00 C ATOM 437 O PHE A 54 -10.279 -0.310 -3.311 1.00 0.00 O ATOM 438 CB PHE A 54 -11.460 1.002 -5.737 1.00 0.00 C ATOM 439 CG PHE A 54 -11.167 0.042 -6.917 1.00 0.00 C ATOM 440 CD1 PHE A 54 -11.237 -1.355 -6.829 1.00 0.00 C ATOM 441 CD2 PHE A 54 -10.793 0.624 -8.139 1.00 0.00 C ATOM 442 CE1 PHE A 54 -10.953 -2.151 -7.933 1.00 0.00 C ATOM 443 CE2 PHE A 54 -10.522 -0.176 -9.247 1.00 0.00 C ATOM 444 CZ PHE A 54 -10.601 -1.561 -9.141 1.00 0.00 C ATOM 0 H PHE A 54 -11.953 2.464 -3.731 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.119 -0.038 -4.851 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.002 1.855 -6.145 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.500 1.375 -5.382 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -11.515 -1.818 -5.894 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -10.715 1.698 -8.220 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -11.006 -3.227 -7.852 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -10.251 0.279 -10.188 1.00 0.00 H new ATOM 0 HZ PHE A 54 -10.388 -2.180 -10.000 1.00 0.00 H new ATOM 445 N LYS A 55 -12.170 -1.556 -3.147 1.00 0.00 N ATOM 446 CA LYS A 55 -11.583 -2.665 -2.342 1.00 0.00 C ATOM 447 C LYS A 55 -12.485 -3.936 -2.455 1.00 0.00 C ATOM 448 O LYS A 55 -13.715 -3.834 -2.540 1.00 0.00 O ATOM 449 CB LYS A 55 -11.305 -2.263 -0.857 1.00 0.00 C ATOM 450 CG LYS A 55 -12.485 -2.118 0.141 1.00 0.00 C ATOM 451 CD LYS A 55 -13.493 -0.989 -0.161 1.00 0.00 C ATOM 452 CE LYS A 55 -14.522 -0.720 0.955 1.00 0.00 C ATOM 453 NZ LYS A 55 -15.505 -1.807 1.107 1.00 0.00 N ATOM 0 H LYS A 55 -13.164 -1.679 -3.339 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.603 -2.897 -2.759 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.620 -3.003 -0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.775 -1.311 -0.873 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.027 -3.063 0.171 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.074 -1.954 1.137 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.940 -0.070 -0.354 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -14.029 -1.236 -1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.997 -0.578 1.899 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.048 0.210 0.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.170 -1.570 1.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -16.029 -1.928 0.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.011 -2.692 1.340 1.00 0.00 H new ATOM 454 N GLU A 56 -11.869 -5.137 -2.425 1.00 0.00 N ATOM 455 CA GLU A 56 -12.580 -6.430 -2.675 1.00 0.00 C ATOM 456 C GLU A 56 -12.406 -7.446 -1.503 1.00 0.00 C ATOM 457 O GLU A 56 -13.334 -7.603 -0.704 1.00 0.00 O ATOM 458 CB GLU A 56 -12.318 -6.973 -4.114 1.00 0.00 C ATOM 459 CG GLU A 56 -10.852 -7.130 -4.589 1.00 0.00 C ATOM 460 CD GLU A 56 -10.749 -7.490 -6.072 1.00 0.00 C ATOM 461 OE1 GLU A 56 -10.809 -8.693 -6.409 1.00 0.00 O ATOM 462 OE2 GLU A 56 -10.611 -6.572 -6.910 1.00 0.00 O ATOM 0 H GLU A 56 -10.874 -5.248 -2.230 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.653 -6.238 -2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.798 -7.948 -4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.825 -6.310 -4.816 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.313 -6.200 -4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.363 -7.903 -3.996 1.00 0.00 H new ATOM 463 N LYS A 57 -11.258 -8.142 -1.409 1.00 0.00 N ATOM 464 CA LYS A 57 -11.057 -9.286 -0.469 1.00 0.00 C ATOM 465 C LYS A 57 -10.385 -8.827 0.862 1.00 0.00 C ATOM 466 O LYS A 57 -10.069 -7.648 1.077 1.00 0.00 O ATOM 467 CB LYS A 57 -10.216 -10.375 -1.214 1.00 0.00 C ATOM 468 CG LYS A 57 -10.873 -11.031 -2.455 1.00 0.00 C ATOM 469 CD LYS A 57 -10.018 -12.156 -3.083 1.00 0.00 C ATOM 470 CE LYS A 57 -10.637 -12.811 -4.337 1.00 0.00 C ATOM 471 NZ LYS A 57 -10.599 -11.938 -5.525 1.00 0.00 N ATOM 0 H LYS A 57 -10.437 -7.936 -1.978 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.020 -9.706 -0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.274 -9.924 -1.526 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.971 -11.163 -0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.843 -11.439 -2.170 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.058 -10.264 -3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.042 -11.748 -3.347 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.849 -12.928 -2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.104 -13.736 -4.556 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.672 -13.081 -4.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.028 -12.432 -6.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.130 -11.065 -5.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.612 -11.700 -5.749 1.00 0.00 H new ATOM 472 N ASP A 58 -10.092 -9.792 1.752 1.00 0.00 N ATOM 473 CA ASP A 58 -8.762 -9.811 2.434 1.00 0.00 C ATOM 474 C ASP A 58 -8.059 -11.153 2.080 1.00 0.00 C ATOM 475 O ASP A 58 -7.980 -12.091 2.879 1.00 0.00 O ATOM 476 CB ASP A 58 -8.617 -9.406 3.936 1.00 0.00 C ATOM 477 CG ASP A 58 -9.893 -9.166 4.752 1.00 0.00 C ATOM 478 OD1 ASP A 58 -10.462 -10.141 5.280 1.00 0.00 O ATOM 479 OD2 ASP A 58 -10.327 -7.996 4.860 1.00 0.00 O ATOM 0 H ASP A 58 -10.724 -10.548 2.017 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.252 -8.939 2.024 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.044 -10.187 4.437 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.019 -8.495 3.978 1.00 0.00 H new ATOM 480 N THR A 59 -7.424 -11.189 0.899 1.00 0.00 N ATOM 481 CA THR A 59 -5.936 -11.177 0.879 1.00 0.00 C ATOM 482 C THR A 59 -5.319 -9.777 1.152 1.00 0.00 C ATOM 483 O THR A 59 -4.228 -9.780 1.714 1.00 0.00 O ATOM 484 CB THR A 59 -5.286 -11.796 -0.389 1.00 0.00 C ATOM 485 OG1 THR A 59 -5.777 -11.183 -1.579 1.00 0.00 O ATOM 486 CG2 THR A 59 -5.468 -13.317 -0.476 1.00 0.00 C ATOM 0 H THR A 59 -7.878 -11.225 -0.014 1.00 0.00 H new ATOM 0 HA THR A 59 -5.691 -11.834 1.713 1.00 0.00 H new ATOM 0 HB THR A 59 -4.218 -11.599 -0.298 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.348 -11.593 -2.359 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.992 -13.689 -1.383 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.010 -13.789 0.394 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.531 -13.555 -0.500 1.00 0.00 H new ATOM 487 N TYR A 60 -5.928 -8.618 0.793 1.00 0.00 N ATOM 488 CA TYR A 60 -5.401 -7.294 1.219 1.00 0.00 C ATOM 489 C TYR A 60 -6.445 -6.169 1.458 1.00 0.00 C ATOM 490 O TYR A 60 -7.604 -6.240 1.037 1.00 0.00 O ATOM 491 CB TYR A 60 -4.213 -6.871 0.321 1.00 0.00 C ATOM 492 CG TYR A 60 -4.469 -6.411 -1.106 1.00 0.00 C ATOM 493 CD1 TYR A 60 -4.637 -5.050 -1.347 1.00 0.00 C ATOM 494 CD2 TYR A 60 -4.297 -7.293 -2.178 1.00 0.00 C ATOM 495 CE1 TYR A 60 -4.620 -4.565 -2.642 1.00 0.00 C ATOM 496 CE2 TYR A 60 -4.315 -6.813 -3.476 1.00 0.00 C ATOM 497 CZ TYR A 60 -4.503 -5.448 -3.713 1.00 0.00 C ATOM 498 OH TYR A 60 -4.449 -4.955 -4.981 1.00 0.00 O ATOM 0 H TYR A 60 -6.770 -8.571 0.219 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.032 -7.447 2.233 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.690 -6.064 0.834 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.526 -7.716 0.272 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.781 -4.371 -0.520 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.150 -8.347 -1.993 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.697 -3.503 -2.823 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.184 -7.492 -4.305 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.355 -4.738 -5.286 1.00 0.00 H new ATOM 499 N LYS A 61 -5.968 -5.124 2.158 1.00 0.00 N ATOM 500 CA LYS A 61 -6.781 -3.970 2.610 1.00 0.00 C ATOM 501 C LYS A 61 -5.913 -2.691 2.454 1.00 0.00 C ATOM 502 O LYS A 61 -4.856 -2.570 3.078 1.00 0.00 O ATOM 503 CB LYS A 61 -7.302 -4.171 4.070 1.00 0.00 C ATOM 504 CG LYS A 61 -6.261 -4.477 5.182 1.00 0.00 C ATOM 505 CD LYS A 61 -6.811 -4.551 6.620 1.00 0.00 C ATOM 506 CE LYS A 61 -7.732 -5.757 6.898 1.00 0.00 C ATOM 507 NZ LYS A 61 -8.094 -5.838 8.325 1.00 0.00 N ATOM 0 H LYS A 61 -4.988 -5.052 2.433 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.677 -3.873 1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.843 -3.270 4.358 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.025 -4.986 4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.779 -5.426 4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.487 -3.710 5.149 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.971 -4.585 7.314 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.362 -3.634 6.831 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.636 -5.673 6.296 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.232 -6.677 6.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.714 -6.659 8.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.231 -5.942 8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.593 -4.970 8.606 1.00 0.00 H new ATOM 508 N LEU A 62 -6.379 -1.718 1.649 1.00 0.00 N ATOM 509 CA LEU A 62 -5.748 -0.369 1.577 1.00 0.00 C ATOM 510 C LEU A 62 -6.243 0.493 2.778 1.00 0.00 C ATOM 511 O LEU A 62 -7.440 0.765 2.880 1.00 0.00 O ATOM 512 CB LEU A 62 -5.974 0.265 0.154 1.00 0.00 C ATOM 513 CG LEU A 62 -4.900 -0.052 -0.936 1.00 0.00 C ATOM 514 CD1 LEU A 62 -5.102 0.543 -2.331 1.00 0.00 C ATOM 515 CD2 LEU A 62 -3.540 0.480 -0.493 1.00 0.00 C ATOM 0 H LEU A 62 -7.187 -1.832 1.038 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.665 -0.431 1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.943 -0.069 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.032 1.347 0.269 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.983 -1.135 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.280 0.238 -2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.044 0.185 -2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.126 1.631 -2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.795 0.256 -1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.600 1.559 -0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.252 0.005 0.445 1.00 0.00 H new ATOM 516 N PHE A 63 -5.343 0.885 3.721 1.00 0.00 N ATOM 517 CA PHE A 63 -5.740 1.627 4.947 1.00 0.00 C ATOM 518 C PHE A 63 -5.991 3.159 4.713 1.00 0.00 C ATOM 519 O PHE A 63 -6.100 3.639 3.579 1.00 0.00 O ATOM 520 CB PHE A 63 -4.668 1.317 6.047 1.00 0.00 C ATOM 521 CG PHE A 63 -5.234 1.206 7.476 1.00 0.00 C ATOM 522 CD1 PHE A 63 -5.983 0.080 7.834 1.00 0.00 C ATOM 523 CD2 PHE A 63 -5.052 2.232 8.411 1.00 0.00 C ATOM 524 CE1 PHE A 63 -6.524 -0.026 9.113 1.00 0.00 C ATOM 525 CE2 PHE A 63 -5.593 2.125 9.689 1.00 0.00 C ATOM 526 CZ PHE A 63 -6.326 0.993 10.040 1.00 0.00 C ATOM 0 H PHE A 63 -4.342 0.700 3.655 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.718 1.282 5.283 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.166 0.383 5.795 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.910 2.100 6.029 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.142 -0.710 7.116 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.488 3.112 8.139 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.098 -0.900 9.386 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.445 2.918 10.407 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.741 0.906 11.033 1.00 0.00 H new ATOM 527 N LYS A 64 -6.140 3.898 5.831 1.00 0.00 N ATOM 528 CA LYS A 64 -6.586 5.311 5.862 1.00 0.00 C ATOM 529 C LYS A 64 -5.465 6.358 6.122 1.00 0.00 C ATOM 530 O LYS A 64 -5.567 7.460 5.577 1.00 0.00 O ATOM 531 CB LYS A 64 -7.745 5.504 6.884 1.00 0.00 C ATOM 532 CG LYS A 64 -9.070 4.745 6.613 1.00 0.00 C ATOM 533 CD LYS A 64 -9.128 3.303 7.170 1.00 0.00 C ATOM 534 CE LYS A 64 -10.418 2.564 6.784 1.00 0.00 C ATOM 535 NZ LYS A 64 -10.397 1.168 7.256 1.00 0.00 N ATOM 0 H LYS A 64 -5.950 3.523 6.760 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.936 5.509 4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.381 5.205 7.867 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.972 6.569 6.939 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.892 5.317 7.043 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.236 4.709 5.536 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.270 2.742 6.801 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.045 3.335 8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.277 3.081 7.210 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.540 2.582 5.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.281 0.695 6.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.590 0.669 6.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.305 1.153 8.292 1.00 0.00 H new ATOM 536 N ASN A 65 -4.414 6.061 6.921 1.00 0.00 N ATOM 537 CA ASN A 65 -3.218 6.908 7.057 1.00 0.00 C ATOM 538 C ASN A 65 -2.369 7.100 5.757 1.00 0.00 C ATOM 539 O ASN A 65 -1.896 8.202 5.474 1.00 0.00 O ATOM 540 CB ASN A 65 -2.359 6.494 8.290 1.00 0.00 C ATOM 541 CG ASN A 65 -1.580 5.157 8.223 1.00 0.00 C ATOM 542 OD1 ASN A 65 -2.129 4.081 8.441 1.00 0.00 O ATOM 543 ND2 ASN A 65 -0.291 5.202 7.912 1.00 0.00 N ATOM 0 H ASN A 65 -4.377 5.217 7.493 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.610 7.908 7.241 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.638 7.290 8.476 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.019 6.452 9.157 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.250 4.339 7.853 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.159 6.099 7.732 1.00 0.00 H new ATOM 544 N GLY A 66 -2.177 5.992 5.018 1.00 0.00 N ATOM 545 CA GLY A 66 -1.310 5.931 3.822 1.00 0.00 C ATOM 546 C GLY A 66 -0.637 4.552 3.678 1.00 0.00 C ATOM 547 O GLY A 66 0.597 4.493 3.673 1.00 0.00 O ATOM 0 H GLY A 66 -2.624 5.102 5.236 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.902 6.142 2.932 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.545 6.705 3.887 1.00 0.00 H new ATOM 548 N THR A 67 -1.418 3.448 3.614 1.00 0.00 N ATOM 549 CA THR A 67 -0.880 2.082 3.872 1.00 0.00 C ATOM 550 C THR A 67 -1.656 1.016 3.034 1.00 0.00 C ATOM 551 O THR A 67 -2.751 1.241 2.518 1.00 0.00 O ATOM 552 CB THR A 67 -0.877 1.846 5.427 1.00 0.00 C ATOM 553 OG1 THR A 67 0.171 2.600 6.027 1.00 0.00 O ATOM 554 CG2 THR A 67 -0.706 0.399 5.906 1.00 0.00 C ATOM 0 H THR A 67 -2.413 3.470 3.389 1.00 0.00 H new ATOM 0 HA THR A 67 0.152 1.981 3.535 1.00 0.00 H new ATOM 0 HB THR A 67 -1.877 2.158 5.728 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.036 2.270 5.706 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.721 0.372 6.996 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.521 -0.212 5.517 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.245 0.007 5.547 1.00 0.00 H new ATOM 555 N LEU A 68 -1.030 -0.171 2.937 1.00 0.00 N ATOM 556 CA LEU A 68 -1.608 -1.416 2.370 1.00 0.00 C ATOM 557 C LEU A 68 -1.125 -2.594 3.285 1.00 0.00 C ATOM 558 O LEU A 68 0.021 -2.596 3.750 1.00 0.00 O ATOM 559 CB LEU A 68 -1.097 -1.527 0.902 1.00 0.00 C ATOM 560 CG LEU A 68 -1.937 -2.323 -0.137 1.00 0.00 C ATOM 561 CD1 LEU A 68 -1.631 -1.971 -1.619 1.00 0.00 C ATOM 562 CD2 LEU A 68 -1.668 -3.794 0.000 1.00 0.00 C ATOM 0 H LEU A 68 -0.072 -0.301 3.262 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.698 -1.433 2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.977 -0.514 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.104 -1.976 0.934 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.970 -2.051 0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.262 -2.573 -2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.834 -0.914 -1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.583 -2.179 -1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.261 -4.342 -0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.609 -3.988 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.938 -4.121 1.004 1.00 0.00 H new ATOM 563 N LYS A 69 -1.981 -3.598 3.546 1.00 0.00 N ATOM 564 CA LYS A 69 -1.599 -4.825 4.316 1.00 0.00 C ATOM 565 C LYS A 69 -2.047 -6.078 3.525 1.00 0.00 C ATOM 566 O LYS A 69 -3.252 -6.292 3.377 1.00 0.00 O ATOM 567 CB LYS A 69 -2.253 -4.830 5.729 1.00 0.00 C ATOM 568 CG LYS A 69 -1.646 -3.875 6.782 1.00 0.00 C ATOM 569 CD LYS A 69 -0.196 -4.186 7.211 1.00 0.00 C ATOM 570 CE LYS A 69 0.074 -5.550 7.883 1.00 0.00 C ATOM 571 NZ LYS A 69 -0.587 -5.695 9.193 1.00 0.00 N ATOM 0 H LYS A 69 -2.953 -3.595 3.238 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.517 -4.832 4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.309 -4.583 5.615 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.203 -5.845 6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.679 -2.860 6.386 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.279 -3.892 7.669 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.438 -4.116 6.327 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.126 -3.403 7.898 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.266 -6.347 7.222 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.149 -5.678 8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.367 -6.630 9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.245 -4.955 9.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.616 -5.602 9.075 1.00 0.00 H new ATOM 572 N ILE A 70 -1.089 -6.904 3.044 1.00 0.00 N ATOM 573 CA ILE A 70 -1.381 -8.087 2.180 1.00 0.00 C ATOM 574 C ILE A 70 -1.125 -9.350 3.051 1.00 0.00 C ATOM 575 O ILE A 70 0.025 -9.777 3.170 1.00 0.00 O ATOM 576 CB ILE A 70 -0.619 -8.084 0.789 1.00 0.00 C ATOM 577 CG1 ILE A 70 -0.630 -6.752 -0.002 1.00 0.00 C ATOM 578 CG2 ILE A 70 -1.121 -9.200 -0.148 1.00 0.00 C ATOM 579 CD1 ILE A 70 0.400 -6.557 -1.129 1.00 0.00 C ATOM 0 H ILE A 70 -0.096 -6.776 3.238 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.422 -8.065 1.856 1.00 0.00 H new ATOM 0 HB ILE A 70 0.413 -8.254 1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.623 -6.633 -0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.496 -5.941 0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.571 -9.160 -1.088 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.963 -10.170 0.324 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.184 -9.060 -0.343 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.261 -5.576 -1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.407 -6.627 -0.718 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.262 -7.330 -1.885 1.00 0.00 H new ATOM 580 N LYS A 71 -2.188 -9.925 3.654 1.00 0.00 N ATOM 581 CA LYS A 71 -2.083 -11.077 4.594 1.00 0.00 C ATOM 582 C LYS A 71 -2.472 -12.386 3.856 1.00 0.00 C ATOM 583 O LYS A 71 -3.512 -12.440 3.195 1.00 0.00 O ATOM 584 CB LYS A 71 -3.060 -10.869 5.785 1.00 0.00 C ATOM 585 CG LYS A 71 -2.693 -9.747 6.784 1.00 0.00 C ATOM 586 CD LYS A 71 -3.753 -9.477 7.877 1.00 0.00 C ATOM 587 CE LYS A 71 -5.005 -8.701 7.411 1.00 0.00 C ATOM 588 NZ LYS A 71 -6.063 -9.567 6.853 1.00 0.00 N ATOM 0 H LYS A 71 -3.146 -9.608 3.507 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.059 -11.145 4.961 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.051 -10.658 5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.133 -11.807 6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.751 -10.005 7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.524 -8.826 6.227 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.073 -10.433 8.292 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.281 -8.919 8.686 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.411 -8.143 8.255 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.710 -7.970 6.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.336 -9.219 5.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.708 -10.541 6.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.892 -9.551 7.481 1.00 0.00 H new ATOM 589 N HIS A 72 -1.647 -13.450 4.011 1.00 0.00 N ATOM 590 CA HIS A 72 -1.882 -14.792 3.397 1.00 0.00 C ATOM 591 C HIS A 72 -1.634 -14.748 1.859 1.00 0.00 C ATOM 592 O HIS A 72 -2.379 -14.102 1.118 1.00 0.00 O ATOM 593 CB HIS A 72 -3.234 -15.469 3.783 1.00 0.00 C ATOM 594 CG HIS A 72 -3.331 -16.957 3.437 1.00 0.00 C ATOM 595 ND1 HIS A 72 -2.718 -17.980 4.149 1.00 0.00 N ATOM 596 CD2 HIS A 72 -4.032 -17.493 2.334 1.00 0.00 C ATOM 597 CE1 HIS A 72 -3.109 -19.060 3.404 1.00 0.00 C ATOM 598 NE2 HIS A 72 -3.897 -18.872 2.298 1.00 0.00 N ATOM 0 H HIS A 72 -0.793 -13.407 4.568 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.140 -15.456 3.840 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.391 -15.349 4.855 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -4.045 -14.941 3.281 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -4.594 -16.910 1.619 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.798 -20.055 3.686 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -4.275 -19.552 1.638 1.00 0.00 H new ATOM 599 N LEU A 73 -0.571 -15.435 1.415 1.00 0.00 N ATOM 600 CA LEU A 73 -0.018 -15.297 0.055 1.00 0.00 C ATOM 601 C LEU A 73 0.347 -16.668 -0.602 1.00 0.00 C ATOM 602 O LEU A 73 0.254 -17.764 -0.050 1.00 0.00 O ATOM 603 CB LEU A 73 1.122 -14.216 0.039 1.00 0.00 C ATOM 604 CG LEU A 73 0.677 -12.729 0.086 1.00 0.00 C ATOM 605 CD1 LEU A 73 1.893 -11.782 0.052 1.00 0.00 C ATOM 606 CD2 LEU A 73 -0.295 -12.410 -1.063 1.00 0.00 C ATOM 0 H LEU A 73 -0.066 -16.107 1.992 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.800 -14.919 -0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.778 -14.401 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.718 -14.364 -0.862 1.00 0.00 H new ATOM 0 HG LEU A 73 0.154 -12.569 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.550 -10.748 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.533 -11.981 0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.457 -11.947 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.592 -11.363 -1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.196 -12.598 -2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.179 -13.043 -0.978 1.00 0.00 H new ATOM 607 N LYS A 74 0.649 -16.479 -1.884 1.00 0.00 N ATOM 608 CA LYS A 74 0.820 -17.468 -2.982 1.00 0.00 C ATOM 609 C LYS A 74 1.137 -16.573 -4.238 1.00 0.00 C ATOM 610 O LYS A 74 0.953 -15.345 -4.258 1.00 0.00 O ATOM 611 CB LYS A 74 -0.422 -18.349 -3.346 1.00 0.00 C ATOM 612 CG LYS A 74 -1.069 -19.273 -2.291 1.00 0.00 C ATOM 613 CD LYS A 74 -2.058 -20.300 -2.887 1.00 0.00 C ATOM 614 CE LYS A 74 -3.341 -19.681 -3.478 1.00 0.00 C ATOM 615 NZ LYS A 74 -4.207 -20.699 -4.099 1.00 0.00 N ATOM 0 H LYS A 74 0.799 -15.532 -2.232 1.00 0.00 H new ATOM 0 HA LYS A 74 1.578 -18.187 -2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.201 -17.674 -3.702 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.134 -18.977 -4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.283 -19.807 -1.757 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.593 -18.661 -1.557 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.549 -20.865 -3.668 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.337 -21.011 -2.109 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.892 -19.167 -2.690 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.073 -18.930 -4.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.058 -20.242 -4.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.690 -21.172 -4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.484 -21.402 -3.384 1.00 0.00 H new ATOM 616 N THR A 75 1.523 -17.201 -5.365 1.00 0.00 N ATOM 617 CA THR A 75 1.776 -16.501 -6.648 1.00 0.00 C ATOM 618 C THR A 75 0.573 -15.717 -7.257 1.00 0.00 C ATOM 619 O THR A 75 0.712 -14.542 -7.615 1.00 0.00 O ATOM 620 CB THR A 75 2.484 -17.454 -7.666 1.00 0.00 C ATOM 621 OG1 THR A 75 3.566 -18.155 -7.055 1.00 0.00 O ATOM 622 CG2 THR A 75 3.058 -16.746 -8.905 1.00 0.00 C ATOM 0 H THR A 75 1.670 -18.209 -5.416 1.00 0.00 H new ATOM 0 HA THR A 75 2.461 -15.690 -6.401 1.00 0.00 H new ATOM 0 HB THR A 75 1.691 -18.130 -7.986 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.988 -18.744 -7.715 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.531 -17.480 -9.557 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.253 -16.247 -9.444 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.798 -16.009 -8.593 1.00 0.00 H new ATOM 623 N ASP A 76 -0.589 -16.375 -7.325 1.00 0.00 N ATOM 624 CA ASP A 76 -1.893 -15.716 -7.642 1.00 0.00 C ATOM 625 C ASP A 76 -2.516 -14.789 -6.549 1.00 0.00 C ATOM 626 O ASP A 76 -3.287 -13.893 -6.904 1.00 0.00 O ATOM 627 CB ASP A 76 -2.909 -16.775 -8.159 1.00 0.00 C ATOM 628 CG ASP A 76 -3.384 -17.838 -7.148 1.00 0.00 C ATOM 629 OD1 ASP A 76 -4.369 -17.583 -6.418 1.00 0.00 O ATOM 630 OD2 ASP A 76 -2.763 -18.919 -7.079 1.00 0.00 O ATOM 0 H ASP A 76 -0.669 -17.379 -7.164 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.650 -15.000 -8.427 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.786 -16.248 -8.535 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.459 -17.291 -9.007 1.00 0.00 H new ATOM 631 N ASP A 77 -2.180 -14.978 -5.258 1.00 0.00 N ATOM 632 CA ASP A 77 -2.565 -14.039 -4.169 1.00 0.00 C ATOM 633 C ASP A 77 -1.828 -12.652 -4.203 1.00 0.00 C ATOM 634 O ASP A 77 -2.322 -11.750 -3.517 1.00 0.00 O ATOM 635 CB ASP A 77 -2.414 -14.763 -2.792 1.00 0.00 C ATOM 636 CG ASP A 77 -3.347 -15.945 -2.464 1.00 0.00 C ATOM 637 OD1 ASP A 77 -4.205 -16.330 -3.292 1.00 0.00 O ATOM 638 OD2 ASP A 77 -3.218 -16.495 -1.348 1.00 0.00 O ATOM 0 H ASP A 77 -1.637 -15.779 -4.935 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.609 -13.772 -4.331 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.388 -15.124 -2.721 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.544 -14.014 -2.010 1.00 0.00 H new ATOM 639 N GLN A 78 -0.713 -12.443 -4.965 1.00 0.00 N ATOM 640 CA GLN A 78 0.009 -11.120 -5.004 1.00 0.00 C ATOM 641 C GLN A 78 0.295 -10.553 -6.438 1.00 0.00 C ATOM 642 O GLN A 78 0.171 -11.244 -7.455 1.00 0.00 O ATOM 643 CB GLN A 78 1.275 -11.105 -4.096 1.00 0.00 C ATOM 644 CG GLN A 78 2.178 -12.368 -4.092 1.00 0.00 C ATOM 645 CD GLN A 78 3.688 -12.113 -4.083 1.00 0.00 C ATOM 646 OE1 GLN A 78 4.309 -12.040 -5.144 1.00 0.00 O ATOM 647 NE2 GLN A 78 4.322 -12.023 -2.925 1.00 0.00 N ATOM 0 H GLN A 78 -0.294 -13.161 -5.556 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.708 -10.417 -4.580 1.00 0.00 H new ATOM 0 HB2 GLN A 78 1.890 -10.255 -4.392 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.950 -10.922 -3.072 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.926 -12.968 -3.218 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.936 -12.966 -4.970 1.00 0.00 H new ATOM 0 HE21 GLN A 78 3.799 -12.085 -2.051 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.333 -11.892 -2.906 1.00 0.00 H new ATOM 648 N ASP A 79 0.650 -9.241 -6.470 1.00 0.00 N ATOM 649 CA ASP A 79 0.673 -8.395 -7.696 1.00 0.00 C ATOM 650 C ASP A 79 1.931 -7.463 -7.761 1.00 0.00 C ATOM 651 O ASP A 79 2.575 -7.145 -6.758 1.00 0.00 O ATOM 652 CB ASP A 79 -0.609 -7.511 -7.647 1.00 0.00 C ATOM 653 CG ASP A 79 -1.053 -6.885 -8.983 1.00 0.00 C ATOM 654 OD1 ASP A 79 -1.251 -7.627 -9.971 1.00 0.00 O ATOM 655 OD2 ASP A 79 -1.196 -5.648 -9.047 1.00 0.00 O ATOM 0 H ASP A 79 0.933 -8.733 -5.632 1.00 0.00 H new ATOM 0 HA ASP A 79 0.711 -9.038 -8.575 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.429 -8.117 -7.263 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.444 -6.707 -6.930 1.00 0.00 H new ATOM 656 N ILE A 80 2.194 -6.925 -8.964 1.00 0.00 N ATOM 657 CA ILE A 80 3.152 -5.801 -9.182 1.00 0.00 C ATOM 658 C ILE A 80 2.377 -4.446 -9.017 1.00 0.00 C ATOM 659 O ILE A 80 1.290 -4.298 -9.577 1.00 0.00 O ATOM 660 CB ILE A 80 3.841 -5.961 -10.587 1.00 0.00 C ATOM 661 CG1 ILE A 80 4.489 -7.354 -10.874 1.00 0.00 C ATOM 662 CG2 ILE A 80 4.868 -4.841 -10.870 1.00 0.00 C ATOM 663 CD1 ILE A 80 5.577 -7.842 -9.903 1.00 0.00 C ATOM 0 H ILE A 80 1.752 -7.251 -9.823 1.00 0.00 H new ATOM 0 HA ILE A 80 3.954 -5.811 -8.444 1.00 0.00 H new ATOM 0 HB ILE A 80 3.001 -5.876 -11.277 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.693 -8.099 -10.890 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.919 -7.326 -11.875 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.315 -4.997 -11.852 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.366 -3.874 -10.850 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.648 -4.861 -10.109 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.937 -8.820 -10.222 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.405 -7.134 -9.899 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.160 -7.919 -8.899 1.00 0.00 H new ATOM 664 N TYR A 81 2.943 -3.472 -8.265 1.00 0.00 N ATOM 665 CA TYR A 81 2.246 -2.190 -7.922 1.00 0.00 C ATOM 666 C TYR A 81 3.010 -0.904 -8.411 1.00 0.00 C ATOM 667 O TYR A 81 4.174 -0.950 -8.814 1.00 0.00 O ATOM 668 CB TYR A 81 1.978 -2.114 -6.382 1.00 0.00 C ATOM 669 CG TYR A 81 0.935 -3.088 -5.788 1.00 0.00 C ATOM 670 CD1 TYR A 81 1.440 -4.302 -5.314 1.00 0.00 C ATOM 671 CD2 TYR A 81 -0.425 -2.788 -5.578 1.00 0.00 C ATOM 672 CE1 TYR A 81 0.614 -5.232 -4.704 1.00 0.00 C ATOM 673 CE2 TYR A 81 -1.252 -3.722 -4.948 1.00 0.00 C ATOM 674 CZ TYR A 81 -0.727 -4.945 -4.518 1.00 0.00 C ATOM 675 OH TYR A 81 -1.488 -5.853 -3.843 1.00 0.00 O ATOM 0 H TYR A 81 3.884 -3.542 -7.879 1.00 0.00 H new ATOM 0 HA TYR A 81 1.299 -2.203 -8.462 1.00 0.00 H new ATOM 0 HB2 TYR A 81 2.924 -2.281 -5.868 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.662 -1.098 -6.146 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.492 -4.519 -5.425 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.827 -1.840 -5.903 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.016 -6.179 -4.374 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.297 -3.499 -4.793 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.426 -5.757 -4.110 1.00 0.00 H new ATOM 676 N LYS A 82 2.348 0.273 -8.333 1.00 0.00 N ATOM 677 CA LYS A 82 3.043 1.596 -8.238 1.00 0.00 C ATOM 678 C LYS A 82 2.068 2.605 -7.552 1.00 0.00 C ATOM 679 O LYS A 82 0.875 2.666 -7.874 1.00 0.00 O ATOM 680 CB LYS A 82 3.670 2.089 -9.586 1.00 0.00 C ATOM 681 CG LYS A 82 2.895 3.036 -10.535 1.00 0.00 C ATOM 682 CD LYS A 82 3.052 4.540 -10.216 1.00 0.00 C ATOM 683 CE LYS A 82 2.330 5.455 -11.217 1.00 0.00 C ATOM 684 NZ LYS A 82 2.474 6.869 -10.830 1.00 0.00 N ATOM 0 H LYS A 82 1.330 0.343 -8.333 1.00 0.00 H new ATOM 0 HA LYS A 82 3.930 1.496 -7.613 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.608 2.586 -9.337 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.924 1.199 -10.162 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.230 2.858 -11.557 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.836 2.779 -10.498 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.667 4.734 -9.215 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.112 4.792 -10.204 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.739 5.303 -12.216 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.273 5.191 -11.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.392 7.470 -11.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.727 7.121 -10.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.405 7.015 -10.390 1.00 0.00 H new ATOM 685 N VAL A 83 2.600 3.427 -6.634 1.00 0.00 N ATOM 686 CA VAL A 83 1.810 4.410 -5.841 1.00 0.00 C ATOM 687 C VAL A 83 1.661 5.788 -6.553 1.00 0.00 C ATOM 688 O VAL A 83 2.611 6.303 -7.147 1.00 0.00 O ATOM 689 CB VAL A 83 2.426 4.528 -4.406 1.00 0.00 C ATOM 690 CG1 VAL A 83 3.799 5.222 -4.266 1.00 0.00 C ATOM 691 CG2 VAL A 83 1.470 5.102 -3.347 1.00 0.00 C ATOM 0 H VAL A 83 3.596 3.436 -6.412 1.00 0.00 H new ATOM 0 HA VAL A 83 0.789 4.040 -5.751 1.00 0.00 H new ATOM 0 HB VAL A 83 2.605 3.470 -4.212 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.098 5.230 -3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.542 4.680 -4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.727 6.247 -4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.979 5.148 -2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.160 6.104 -3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.593 4.461 -3.263 1.00 0.00 H new ATOM 692 N SER A 84 0.479 6.401 -6.394 1.00 0.00 N ATOM 693 CA SER A 84 0.330 7.879 -6.439 1.00 0.00 C ATOM 694 C SER A 84 -0.564 8.292 -5.238 1.00 0.00 C ATOM 695 O SER A 84 -1.578 7.649 -4.930 1.00 0.00 O ATOM 696 CB SER A 84 -0.327 8.385 -7.736 1.00 0.00 C ATOM 697 OG SER A 84 0.370 7.951 -8.894 1.00 0.00 O ATOM 0 H SER A 84 -0.396 5.902 -6.232 1.00 0.00 H new ATOM 0 HA SER A 84 1.326 8.320 -6.396 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.358 8.033 -7.781 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.363 9.474 -7.722 1.00 0.00 H new ATOM 0 HG SER A 84 -0.081 8.293 -9.694 1.00 0.00 H new ATOM 698 N ILE A 85 -0.188 9.397 -4.586 1.00 0.00 N ATOM 699 CA ILE A 85 -0.927 9.948 -3.410 1.00 0.00 C ATOM 700 C ILE A 85 -1.326 11.415 -3.769 1.00 0.00 C ATOM 701 O ILE A 85 -0.489 12.253 -4.125 1.00 0.00 O ATOM 702 CB ILE A 85 -0.126 9.751 -2.070 1.00 0.00 C ATOM 703 CG1 ILE A 85 -0.109 8.253 -1.627 1.00 0.00 C ATOM 704 CG2 ILE A 85 -0.681 10.596 -0.897 1.00 0.00 C ATOM 705 CD1 ILE A 85 1.019 7.837 -0.674 1.00 0.00 C ATOM 0 H ILE A 85 0.633 9.944 -4.846 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.847 9.400 -3.207 1.00 0.00 H new ATOM 0 HB ILE A 85 0.885 10.091 -2.294 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.062 8.027 -1.148 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.047 7.633 -2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.084 10.414 -0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.633 11.654 -1.156 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.717 10.316 -0.705 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.924 6.777 -0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.983 8.019 -1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.952 8.419 0.245 1.00 0.00 H new ATOM 706 N TYR A 86 -2.636 11.687 -3.627 1.00 0.00 N ATOM 707 CA TYR A 86 -3.265 12.996 -3.952 1.00 0.00 C ATOM 708 C TYR A 86 -3.915 13.541 -2.651 1.00 0.00 C ATOM 709 O TYR A 86 -4.447 12.792 -1.821 1.00 0.00 O ATOM 710 CB TYR A 86 -4.333 12.886 -5.085 1.00 0.00 C ATOM 711 CG TYR A 86 -3.974 12.117 -6.375 1.00 0.00 C ATOM 712 CD1 TYR A 86 -4.069 10.719 -6.404 1.00 0.00 C ATOM 713 CD2 TYR A 86 -3.598 12.797 -7.535 1.00 0.00 C ATOM 714 CE1 TYR A 86 -3.759 10.014 -7.560 1.00 0.00 C ATOM 715 CE2 TYR A 86 -3.299 12.092 -8.697 1.00 0.00 C ATOM 716 CZ TYR A 86 -3.368 10.699 -8.708 1.00 0.00 C ATOM 717 OH TYR A 86 -3.048 10.008 -9.846 1.00 0.00 O ATOM 0 H TYR A 86 -3.303 10.999 -3.279 1.00 0.00 H new ATOM 0 HA TYR A 86 -2.497 13.673 -4.325 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.220 12.418 -4.658 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.614 13.899 -5.372 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.386 10.185 -5.520 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.539 13.875 -7.530 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.821 8.936 -7.569 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -3.013 12.625 -9.592 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.798 10.639 -10.553 1.00 0.00 H new ATOM 718 N ASP A 87 -3.874 14.871 -2.485 1.00 0.00 N ATOM 719 CA ASP A 87 -4.295 15.538 -1.220 1.00 0.00 C ATOM 720 C ASP A 87 -5.842 15.796 -1.165 1.00 0.00 C ATOM 721 O ASP A 87 -6.611 15.291 -1.990 1.00 0.00 O ATOM 722 CB ASP A 87 -3.406 16.812 -1.036 1.00 0.00 C ATOM 723 CG ASP A 87 -1.903 16.566 -0.818 1.00 0.00 C ATOM 724 OD1 ASP A 87 -1.535 15.871 0.154 1.00 0.00 O ATOM 725 OD2 ASP A 87 -1.086 17.068 -1.622 1.00 0.00 O ATOM 0 H ASP A 87 -3.554 15.517 -3.206 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.129 14.884 -0.364 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.526 17.443 -1.917 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.788 17.376 -0.185 1.00 0.00 H new ATOM 726 N THR A 88 -6.304 16.578 -0.164 1.00 0.00 N ATOM 727 CA THR A 88 -7.708 17.098 -0.099 1.00 0.00 C ATOM 728 C THR A 88 -8.193 17.963 -1.307 1.00 0.00 C ATOM 729 O THR A 88 -9.335 17.793 -1.749 1.00 0.00 O ATOM 730 CB THR A 88 -8.067 17.722 1.290 1.00 0.00 C ATOM 731 OG1 THR A 88 -7.717 19.103 1.339 1.00 0.00 O ATOM 732 CG2 THR A 88 -7.557 17.022 2.563 1.00 0.00 C ATOM 0 H THR A 88 -5.725 16.871 0.623 1.00 0.00 H new ATOM 0 HA THR A 88 -8.303 16.191 -0.206 1.00 0.00 H new ATOM 0 HB THR A 88 -9.145 17.568 1.326 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.953 19.469 2.217 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.889 17.576 3.441 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.952 16.007 2.603 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.468 16.987 2.547 1.00 0.00 H new ATOM 733 N LYS A 89 -7.326 18.829 -1.868 1.00 0.00 N ATOM 734 CA LYS A 89 -7.547 19.441 -3.210 1.00 0.00 C ATOM 735 C LYS A 89 -7.484 18.438 -4.412 1.00 0.00 C ATOM 736 O LYS A 89 -8.242 18.635 -5.370 1.00 0.00 O ATOM 737 CB LYS A 89 -6.561 20.623 -3.447 1.00 0.00 C ATOM 738 CG LYS A 89 -6.627 21.829 -2.474 1.00 0.00 C ATOM 739 CD LYS A 89 -7.942 22.643 -2.513 1.00 0.00 C ATOM 740 CE LYS A 89 -7.988 23.866 -1.572 1.00 0.00 C ATOM 741 NZ LYS A 89 -7.077 24.958 -1.966 1.00 0.00 N ATOM 0 H LYS A 89 -6.461 19.126 -1.417 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.574 19.805 -3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.547 20.224 -3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.726 20.999 -4.457 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.476 21.463 -1.458 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -5.798 22.500 -2.697 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.109 22.985 -3.535 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.769 21.979 -2.260 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.008 24.250 -1.541 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.738 23.544 -0.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.163 25.743 -1.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.097 24.609 -1.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.328 25.293 -2.918 1.00 0.00 H new ATOM 742 N GLY A 90 -6.620 17.396 -4.388 1.00 0.00 N ATOM 743 CA GLY A 90 -6.539 16.393 -5.475 1.00 0.00 C ATOM 744 C GLY A 90 -5.453 16.717 -6.519 1.00 0.00 C ATOM 745 O GLY A 90 -5.773 16.947 -7.687 1.00 0.00 O ATOM 0 H GLY A 90 -5.966 17.228 -3.623 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -6.337 15.413 -5.042 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -7.506 16.328 -5.974 1.00 0.00 H new ATOM 746 N LYS A 91 -4.186 16.727 -6.075 1.00 0.00 N ATOM 747 CA LYS A 91 -3.011 17.046 -6.929 1.00 0.00 C ATOM 748 C LYS A 91 -1.859 16.111 -6.482 1.00 0.00 C ATOM 749 O LYS A 91 -1.600 15.949 -5.281 1.00 0.00 O ATOM 750 CB LYS A 91 -2.571 18.528 -6.783 1.00 0.00 C ATOM 751 CG LYS A 91 -3.525 19.565 -7.417 1.00 0.00 C ATOM 752 CD LYS A 91 -3.080 21.021 -7.175 1.00 0.00 C ATOM 753 CE LYS A 91 -3.969 22.084 -7.854 1.00 0.00 C ATOM 754 NZ LYS A 91 -3.778 22.150 -9.318 1.00 0.00 N ATOM 0 H LYS A 91 -3.938 16.514 -5.109 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.270 16.896 -7.977 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.466 18.756 -5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.585 18.643 -7.233 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.588 19.384 -8.490 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.527 19.425 -7.011 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.066 21.209 -6.102 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.057 21.139 -7.533 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.015 21.865 -7.640 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.753 23.061 -7.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.401 22.881 -9.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.787 22.387 -9.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.011 21.229 -9.740 1.00 0.00 H new ATOM 755 N ASN A 92 -1.148 15.513 -7.458 1.00 0.00 N ATOM 756 CA ASN A 92 -0.104 14.498 -7.169 1.00 0.00 C ATOM 757 C ASN A 92 1.183 15.158 -6.604 1.00 0.00 C ATOM 758 O ASN A 92 1.922 15.852 -7.312 1.00 0.00 O ATOM 759 CB ASN A 92 0.189 13.619 -8.419 1.00 0.00 C ATOM 760 CG ASN A 92 1.177 12.440 -8.244 1.00 0.00 C ATOM 761 OD1 ASN A 92 2.060 12.227 -9.074 1.00 0.00 O ATOM 762 ND2 ASN A 92 1.061 11.656 -7.184 1.00 0.00 N ATOM 0 H ASN A 92 -1.273 15.711 -8.451 1.00 0.00 H new ATOM 0 HA ASN A 92 -0.487 13.834 -6.394 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.758 13.215 -8.776 1.00 0.00 H new ATOM 0 HB3 ASN A 92 0.575 14.268 -9.205 1.00 0.00 H new ATOM 0 HD21 ASN A 92 1.704 10.875 -7.055 1.00 0.00 H new ATOM 0 HD22 ASN A 92 0.329 11.833 -6.496 1.00 0.00 H new ATOM 763 N VAL A 93 1.429 14.878 -5.319 1.00 0.00 N ATOM 764 CA VAL A 93 2.675 15.267 -4.602 1.00 0.00 C ATOM 765 C VAL A 93 3.804 14.202 -4.764 1.00 0.00 C ATOM 766 O VAL A 93 4.918 14.538 -5.173 1.00 0.00 O ATOM 767 CB VAL A 93 2.412 15.689 -3.110 1.00 0.00 C ATOM 768 CG1 VAL A 93 2.104 17.198 -2.982 1.00 0.00 C ATOM 769 CG2 VAL A 93 1.366 14.863 -2.325 1.00 0.00 C ATOM 0 H VAL A 93 0.769 14.370 -4.731 1.00 0.00 H new ATOM 0 HA VAL A 93 3.049 16.168 -5.087 1.00 0.00 H new ATOM 0 HB VAL A 93 3.362 15.455 -2.629 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.929 17.446 -1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.950 17.775 -3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.215 17.439 -3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.279 15.255 -1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.400 14.931 -2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.681 13.820 -2.285 1.00 0.00 H new ATOM 770 N LEU A 94 3.498 12.946 -4.418 1.00 0.00 N ATOM 771 CA LEU A 94 4.491 11.845 -4.304 1.00 0.00 C ATOM 772 C LEU A 94 4.007 10.592 -5.098 1.00 0.00 C ATOM 773 O LEU A 94 2.880 10.114 -4.916 1.00 0.00 O ATOM 774 CB LEU A 94 4.733 11.579 -2.790 1.00 0.00 C ATOM 775 CG LEU A 94 5.849 10.553 -2.432 1.00 0.00 C ATOM 776 CD1 LEU A 94 6.656 10.988 -1.188 1.00 0.00 C ATOM 777 CD2 LEU A 94 5.282 9.134 -2.219 1.00 0.00 C ATOM 0 H LEU A 94 2.545 12.651 -4.205 1.00 0.00 H new ATOM 0 HA LEU A 94 5.446 12.116 -4.754 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.976 12.528 -2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.798 11.232 -2.351 1.00 0.00 H new ATOM 0 HG LEU A 94 6.523 10.528 -3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.423 10.244 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.128 11.952 -1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.987 11.075 -0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.095 8.451 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.560 9.150 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.791 8.798 -3.132 1.00 0.00 H new ATOM 778 N GLU A 95 4.912 10.054 -5.943 1.00 0.00 N ATOM 779 CA GLU A 95 4.689 8.800 -6.720 1.00 0.00 C ATOM 780 C GLU A 95 6.006 7.953 -6.787 1.00 0.00 C ATOM 781 O GLU A 95 7.117 8.490 -6.815 1.00 0.00 O ATOM 782 CB GLU A 95 4.043 9.078 -8.112 1.00 0.00 C ATOM 783 CG GLU A 95 4.712 10.074 -9.091 1.00 0.00 C ATOM 784 CD GLU A 95 6.023 9.598 -9.724 1.00 0.00 C ATOM 785 OE1 GLU A 95 5.995 8.643 -10.532 1.00 0.00 O ATOM 786 OE2 GLU A 95 7.087 10.177 -9.420 1.00 0.00 O ATOM 0 H GLU A 95 5.826 10.474 -6.112 1.00 0.00 H new ATOM 0 HA GLU A 95 3.956 8.191 -6.192 1.00 0.00 H new ATOM 0 HB2 GLU A 95 3.961 8.121 -8.628 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.028 9.432 -7.933 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.005 10.302 -9.889 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.903 11.006 -8.559 1.00 0.00 H new ATOM 787 N LYS A 96 5.872 6.607 -6.778 1.00 0.00 N ATOM 788 CA LYS A 96 7.003 5.642 -6.568 1.00 0.00 C ATOM 789 C LYS A 96 6.567 4.209 -7.049 1.00 0.00 C ATOM 790 O LYS A 96 5.379 3.934 -7.239 1.00 0.00 O ATOM 791 CB LYS A 96 7.455 5.722 -5.070 1.00 0.00 C ATOM 792 CG LYS A 96 8.760 5.000 -4.652 1.00 0.00 C ATOM 793 CD LYS A 96 10.085 5.610 -5.155 1.00 0.00 C ATOM 794 CE LYS A 96 10.418 6.979 -4.530 1.00 0.00 C ATOM 795 NZ LYS A 96 11.776 7.436 -4.877 1.00 0.00 N ATOM 0 H LYS A 96 4.973 6.145 -6.916 1.00 0.00 H new ATOM 0 HA LYS A 96 7.876 5.897 -7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.562 6.776 -4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.646 5.324 -4.458 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.794 4.964 -3.563 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.706 3.970 -5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.898 4.916 -4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.036 5.718 -6.238 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.691 7.717 -4.868 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.325 6.914 -3.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.052 8.216 -4.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.446 6.648 -4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.790 7.767 -5.863 1.00 0.00 H new ATOM 796 N ILE A 97 7.528 3.291 -7.296 1.00 0.00 N ATOM 797 CA ILE A 97 7.288 1.996 -8.024 1.00 0.00 C ATOM 798 C ILE A 97 7.676 0.795 -7.090 1.00 0.00 C ATOM 799 O ILE A 97 8.597 0.881 -6.273 1.00 0.00 O ATOM 800 CB ILE A 97 7.982 1.962 -9.442 1.00 0.00 C ATOM 801 CG1 ILE A 97 7.814 3.265 -10.294 1.00 0.00 C ATOM 802 CG2 ILE A 97 7.546 0.727 -10.280 1.00 0.00 C ATOM 803 CD1 ILE A 97 8.776 3.400 -11.487 1.00 0.00 C ATOM 0 H ILE A 97 8.497 3.414 -7.002 1.00 0.00 H new ATOM 0 HA ILE A 97 6.226 1.903 -8.251 1.00 0.00 H new ATOM 0 HB ILE A 97 9.043 1.886 -9.205 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.791 3.306 -10.667 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.949 4.127 -9.640 1.00 0.00 H new ATOM 0 HG21 ILE A 97 8.049 0.747 -11.247 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.816 -0.186 -9.750 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.467 0.753 -10.432 1.00 0.00 H new ATOM 0 HD11 ILE A 97 8.577 4.335 -12.011 1.00 0.00 H new ATOM 0 HD12 ILE A 97 9.805 3.397 -11.127 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.628 2.563 -12.170 1.00 0.00 H new ATOM 804 N PHE A 98 6.894 -0.301 -7.154 1.00 0.00 N ATOM 805 CA PHE A 98 6.933 -1.429 -6.164 1.00 0.00 C ATOM 806 C PHE A 98 6.567 -2.764 -6.895 1.00 0.00 C ATOM 807 O PHE A 98 5.955 -2.754 -7.970 1.00 0.00 O ATOM 808 CB PHE A 98 5.925 -1.132 -5.013 1.00 0.00 C ATOM 809 CG PHE A 98 6.329 -0.021 -4.019 1.00 0.00 C ATOM 810 CD1 PHE A 98 6.165 1.333 -4.338 1.00 0.00 C ATOM 811 CD2 PHE A 98 6.852 -0.360 -2.770 1.00 0.00 C ATOM 812 CE1 PHE A 98 6.562 2.324 -3.448 1.00 0.00 C ATOM 813 CE2 PHE A 98 7.245 0.632 -1.875 1.00 0.00 C ATOM 814 CZ PHE A 98 7.107 1.971 -2.220 1.00 0.00 C ATOM 0 H PHE A 98 6.207 -0.442 -7.895 1.00 0.00 H new ATOM 0 HA PHE A 98 7.931 -1.527 -5.737 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.968 -0.861 -5.458 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.766 -2.053 -4.451 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.726 1.610 -5.285 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.953 -1.400 -2.496 1.00 0.00 H new ATOM 0 HE1 PHE A 98 6.447 3.365 -3.710 1.00 0.00 H new ATOM 0 HE2 PHE A 98 7.657 0.361 -0.914 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.425 2.740 -1.531 1.00 0.00 H new ATOM 815 N ASP A 99 6.974 -3.940 -6.363 1.00 0.00 N ATOM 816 CA ASP A 99 6.865 -5.218 -7.132 1.00 0.00 C ATOM 817 C ASP A 99 6.763 -6.406 -6.142 1.00 0.00 C ATOM 818 O ASP A 99 7.824 -6.917 -5.763 1.00 0.00 O ATOM 819 CB ASP A 99 8.096 -5.437 -8.082 1.00 0.00 C ATOM 820 CG ASP A 99 8.307 -4.525 -9.300 1.00 0.00 C ATOM 821 OD1 ASP A 99 8.663 -3.339 -9.126 1.00 0.00 O ATOM 822 OD2 ASP A 99 8.159 -5.006 -10.447 1.00 0.00 O ATOM 0 H ASP A 99 7.372 -4.039 -5.429 1.00 0.00 H new ATOM 0 HA ASP A 99 5.970 -5.160 -7.752 1.00 0.00 H new ATOM 0 HB2 ASP A 99 8.994 -5.368 -7.468 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.040 -6.461 -8.451 1.00 0.00 H new ATOM 823 N LEU A 100 5.564 -6.934 -5.756 1.00 0.00 N ATOM 824 CA LEU A 100 5.537 -8.209 -4.973 1.00 0.00 C ATOM 825 C LEU A 100 5.882 -9.433 -5.882 1.00 0.00 C ATOM 826 O LEU A 100 5.192 -9.707 -6.872 1.00 0.00 O ATOM 827 CB LEU A 100 4.213 -8.434 -4.197 1.00 0.00 C ATOM 828 CG LEU A 100 4.176 -7.954 -2.725 1.00 0.00 C ATOM 829 CD1 LEU A 100 4.086 -6.425 -2.612 1.00 0.00 C ATOM 830 CD2 LEU A 100 3.002 -8.633 -1.997 1.00 0.00 C ATOM 0 H LEU A 100 4.652 -6.526 -5.959 1.00 0.00 H new ATOM 0 HA LEU A 100 6.311 -8.113 -4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.412 -7.931 -4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.987 -9.500 -4.212 1.00 0.00 H new ATOM 0 HG LEU A 100 5.114 -8.242 -2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.063 -6.139 -1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.954 -5.973 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.177 -6.077 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.973 -8.297 -0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.066 -8.369 -2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.134 -9.715 -2.024 1.00 0.00 H new ATOM 831 N LYS A 101 6.953 -10.151 -5.500 1.00 0.00 N ATOM 832 CA LYS A 101 7.452 -11.361 -6.208 1.00 0.00 C ATOM 833 C LYS A 101 7.662 -12.557 -5.221 1.00 0.00 C ATOM 834 O LYS A 101 7.678 -12.408 -3.995 1.00 0.00 O ATOM 835 CB LYS A 101 8.753 -11.015 -6.985 1.00 0.00 C ATOM 836 CG LYS A 101 8.509 -10.357 -8.360 1.00 0.00 C ATOM 837 CD LYS A 101 9.757 -10.365 -9.265 1.00 0.00 C ATOM 838 CE LYS A 101 10.765 -9.218 -9.035 1.00 0.00 C ATOM 839 NZ LYS A 101 10.294 -7.922 -9.558 1.00 0.00 N ATOM 0 H LYS A 101 7.510 -9.910 -4.680 1.00 0.00 H new ATOM 0 HA LYS A 101 6.698 -11.683 -6.927 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.360 -10.345 -6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.332 -11.928 -7.128 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.697 -10.879 -8.867 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.183 -9.328 -8.211 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.277 -11.313 -9.126 1.00 0.00 H new ATOM 0 HD3 LYS A 101 9.429 -10.331 -10.304 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.961 -9.123 -7.967 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.712 -9.473 -9.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 11.066 -7.455 -10.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.491 -8.078 -10.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 9.992 -7.318 -8.767 1.00 0.00 H new ATOM 840 N ILE A 102 7.801 -13.762 -5.814 1.00 0.00 N ATOM 841 CA ILE A 102 7.790 -15.058 -5.068 1.00 0.00 C ATOM 842 C ILE A 102 9.194 -15.711 -5.218 1.00 0.00 C ATOM 843 O ILE A 102 9.634 -16.025 -6.330 1.00 0.00 O ATOM 844 CB ILE A 102 6.638 -15.989 -5.586 1.00 0.00 C ATOM 845 CG1 ILE A 102 5.204 -15.399 -5.471 1.00 0.00 C ATOM 846 CG2 ILE A 102 6.587 -17.408 -4.970 1.00 0.00 C ATOM 847 CD1 ILE A 102 4.622 -15.260 -4.051 1.00 0.00 C ATOM 0 H ILE A 102 7.924 -13.874 -6.820 1.00 0.00 H new ATOM 0 HA ILE A 102 7.589 -14.891 -4.010 1.00 0.00 H new ATOM 0 HB ILE A 102 6.927 -16.062 -6.634 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.204 -14.413 -5.936 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.530 -16.027 -6.054 1.00 0.00 H new ATOM 0 HG21 ILE A 102 5.753 -17.962 -5.401 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.519 -17.931 -5.184 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.453 -17.332 -3.891 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.619 -14.837 -4.109 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.576 -16.241 -3.579 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.259 -14.603 -3.459 1.00 0.00 H new ATOM 848 N GLN A 103 9.850 -15.982 -4.073 1.00 0.00 N ATOM 849 CA GLN A 103 11.112 -16.776 -4.021 1.00 0.00 C ATOM 850 C GLN A 103 10.839 -18.287 -4.277 1.00 0.00 C ATOM 851 O GLN A 103 9.884 -18.867 -3.748 1.00 0.00 O ATOM 852 CB GLN A 103 11.841 -16.581 -2.658 1.00 0.00 C ATOM 853 CG GLN A 103 12.756 -15.341 -2.547 1.00 0.00 C ATOM 854 CD GLN A 103 14.093 -15.464 -3.307 1.00 0.00 C ATOM 855 OE1 GLN A 103 14.952 -16.276 -2.967 1.00 0.00 O ATOM 856 NE2 GLN A 103 14.304 -14.657 -4.332 1.00 0.00 N ATOM 0 H GLN A 103 9.530 -15.663 -3.159 1.00 0.00 H new ATOM 0 HA GLN A 103 11.762 -16.408 -4.815 1.00 0.00 H new ATOM 0 HB2 GLN A 103 11.088 -16.523 -1.872 1.00 0.00 H new ATOM 0 HB3 GLN A 103 12.441 -17.469 -2.460 1.00 0.00 H new ATOM 0 HG2 GLN A 103 12.217 -14.472 -2.924 1.00 0.00 H new ATOM 0 HG3 GLN A 103 12.967 -15.153 -1.494 1.00 0.00 H new ATOM 0 HE21 GLN A 103 13.587 -13.986 -4.609 1.00 0.00 H new ATOM 0 HE22 GLN A 103 15.183 -14.705 -4.846 1.00 0.00 H new ATOM 857 N GLU A 104 11.709 -18.895 -5.106 1.00 0.00 N ATOM 858 CA GLU A 104 11.602 -20.326 -5.496 1.00 0.00 C ATOM 859 C GLU A 104 13.014 -20.957 -5.342 1.00 0.00 C ATOM 860 O GLU A 104 13.858 -20.968 -6.246 1.00 0.00 O ATOM 861 CB GLU A 104 11.070 -20.517 -6.932 1.00 0.00 C ATOM 862 CG GLU A 104 9.625 -20.034 -7.192 1.00 0.00 C ATOM 863 CD GLU A 104 9.172 -20.271 -8.635 1.00 0.00 C ATOM 864 OE1 GLU A 104 8.812 -21.424 -8.973 1.00 0.00 O ATOM 865 OE2 GLU A 104 9.172 -19.312 -9.437 1.00 0.00 O ATOM 0 H GLU A 104 12.505 -18.416 -5.526 1.00 0.00 H new ATOM 0 HA GLU A 104 10.878 -20.819 -4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.736 -19.992 -7.617 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.128 -21.577 -7.181 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.946 -20.550 -6.513 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.556 -18.970 -6.964 1.00 0.00 H new ATOM 866 N ARG A 105 13.215 -21.478 -4.132 1.00 0.00 N ATOM 867 CA ARG A 105 14.489 -22.097 -3.678 1.00 0.00 C ATOM 868 C ARG A 105 14.674 -23.543 -4.202 1.00 0.00 C ATOM 869 O ARG A 105 13.764 -24.390 -4.038 1.00 0.00 O ATOM 870 CB ARG A 105 14.626 -21.995 -2.133 1.00 0.00 C ATOM 871 CG ARG A 105 13.534 -22.674 -1.267 1.00 0.00 C ATOM 872 CD ARG A 105 13.741 -22.441 0.238 1.00 0.00 C ATOM 873 NE ARG A 105 12.629 -23.019 1.035 1.00 0.00 N ATOM 874 CZ ARG A 105 12.558 -22.974 2.379 1.00 0.00 C ATOM 875 NH1 ARG A 105 13.494 -22.429 3.155 1.00 0.00 N ATOM 876 NH2 ARG A 105 11.498 -23.504 2.964 1.00 0.00 N ATOM 877 OXT ARG A 105 15.743 -23.834 -4.783 1.00 0.00 O ATOM 0 H ARG A 105 12.490 -21.489 -3.415 1.00 0.00 H new ATOM 0 HA ARG A 105 15.307 -21.528 -4.120 1.00 0.00 H new ATOM 0 HB2 ARG A 105 15.589 -22.421 -1.853 1.00 0.00 H new ATOM 0 HB3 ARG A 105 14.655 -20.938 -1.868 1.00 0.00 H new ATOM 0 HG2 ARG A 105 12.555 -22.292 -1.558 1.00 0.00 H new ATOM 0 HG3 ARG A 105 13.531 -23.745 -1.468 1.00 0.00 H new ATOM 0 HD2 ARG A 105 14.685 -22.888 0.550 1.00 0.00 H new ATOM 0 HD3 ARG A 105 13.814 -21.371 0.435 1.00 0.00 H new ATOM 0 HE ARG A 105 11.870 -23.480 0.532 1.00 0.00 H new ATOM 0 HH11 ARG A 105 14.326 -22.013 2.736 1.00 0.00 H new ATOM 0 HH12 ARG A 105 13.379 -22.428 4.168 1.00 0.00 H new ATOM 0 HH21 ARG A 105 10.764 -23.931 2.399 1.00 0.00 H new ATOM 0 HH22 ARG A 105 11.414 -23.486 3.980 1.00 0.00 H new