USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 962 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 90 THR OG1 : rot -71:sc= 2.2 USER MOD Set 1.2: A 93 CYS SG : rot 180:sc= -0.0393 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -57:sc= 0.00499 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -0.922 F(o=-1.6!,f=-0.92) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -159:sc= -0.0916 (180deg=-0.496) USER MOD Single : A 26 LYS NZ :NH3+ -157:sc= -0.084 (180deg=-0.459) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -135:sc= -0.541 (180deg=-2.83!) USER MOD Single : A 37 GLN : amide:sc= -0.034 X(o=-0.034,f=-0.051) USER MOD Single : A 38 MET CE :methyl -132:sc= -4.17 (180deg=-12.1!) USER MOD Single : A 39 TYR OH : rot 170:sc= -0.0869 USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot -42:sc= -0.632 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.303 K(o=-0.3,f=-0.92) USER MOD Single : A 57 THR OG1 : rot 180:sc=-0.00511 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 162:sc= 0.812 USER MOD Single : A 64 GLN : amide:sc= 0.673 K(o=0.67,f=-6.5!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 CYS SG : rot -170:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.102) USER MOD Single : A 84 ASN : amide:sc= -0.0172 X(o=-0.017,f=-0.017) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.577 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot 104:sc= 0.816 USER MOD Single : A 98 GLN : amide:sc= -4.25! C(o=-4.2!,f=-5.8!) USER MOD Single : A 105 MET CE :methyl 138:sc= -0.348 (180deg=-1.48!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 76:sc= 0.335 USER MOD Single : A 113 GLN : amide:sc= -0.421 K(o=-0.42,f=-1.6!) USER MOD Single : A 115 SER OG : rot -130:sc= 0.0529 USER MOD Single : A 116 SER OG : rot 180:sc= -0.184 USER MOD Single : A 117 ASN : amide:sc= 0.15 K(o=0.15,f=-3.9!) USER MOD Single : A 119 ASN :FLIP amide:sc= -0.147 F(o=-0.95,f=-0.15) USER MOD Single : A 120 SER OG : rot -54:sc= 0.374 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.263 -13.074 -3.706 1.00 0.00 N ATOM 2 CA GLY A 1 -16.521 -13.073 -4.953 1.00 0.00 C ATOM 3 C GLY A 1 -15.326 -14.005 -4.918 1.00 0.00 C ATOM 4 O GLY A 1 -14.180 -13.555 -4.907 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.069 -12.422 -3.781 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.612 -14.034 -3.510 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.641 -12.767 -2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.184 -13.368 -5.767 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.182 -12.060 -5.169 1.00 0.00 H new ATOM 8 N SER A 2 -15.593 -15.307 -4.897 1.00 0.00 N ATOM 9 CA SER A 2 -14.530 -16.304 -4.857 1.00 0.00 C ATOM 10 C SER A 2 -14.722 -17.348 -5.953 1.00 0.00 C ATOM 11 O SER A 2 -15.799 -17.458 -6.539 1.00 0.00 O ATOM 12 CB SER A 2 -14.494 -16.987 -3.488 1.00 0.00 C ATOM 13 OG SER A 2 -14.284 -16.043 -2.453 1.00 0.00 O ATOM 0 H SER A 2 -16.536 -15.696 -4.907 1.00 0.00 H new ATOM 0 HA SER A 2 -13.582 -15.794 -5.027 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.432 -17.516 -3.317 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.699 -17.733 -3.471 1.00 0.00 H new ATOM 0 HG SER A 2 -14.267 -16.504 -1.588 1.00 0.00 H new ATOM 19 N SER A 3 -13.669 -18.111 -6.226 1.00 0.00 N ATOM 20 CA SER A 3 -13.719 -19.143 -7.255 1.00 0.00 C ATOM 21 C SER A 3 -14.161 -18.556 -8.592 1.00 0.00 C ATOM 22 O SER A 3 -14.997 -19.130 -9.289 1.00 0.00 O ATOM 23 CB SER A 3 -14.673 -20.264 -6.837 1.00 0.00 C ATOM 24 OG SER A 3 -14.394 -21.461 -7.542 1.00 0.00 O ATOM 0 H SER A 3 -12.771 -18.034 -5.749 1.00 0.00 H new ATOM 0 HA SER A 3 -12.716 -19.554 -7.372 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.584 -20.441 -5.765 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.702 -19.959 -7.025 1.00 0.00 H new ATOM 0 HG SER A 3 -14.455 -21.295 -8.506 1.00 0.00 H new ATOM 30 N GLY A 4 -13.592 -17.407 -8.944 1.00 0.00 N ATOM 31 CA GLY A 4 -13.939 -16.760 -10.196 1.00 0.00 C ATOM 32 C GLY A 4 -12.832 -15.862 -10.711 1.00 0.00 C ATOM 33 O GLY A 4 -12.085 -16.240 -11.613 1.00 0.00 O ATOM 0 H GLY A 4 -12.897 -16.913 -8.385 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.164 -17.520 -10.944 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.846 -16.171 -10.058 1.00 0.00 H new ATOM 37 N SER A 5 -12.727 -14.667 -10.137 1.00 0.00 N ATOM 38 CA SER A 5 -11.707 -13.709 -10.547 1.00 0.00 C ATOM 39 C SER A 5 -10.327 -14.359 -10.563 1.00 0.00 C ATOM 40 O SER A 5 -9.868 -14.891 -9.552 1.00 0.00 O ATOM 41 CB SER A 5 -11.704 -12.502 -9.608 1.00 0.00 C ATOM 42 OG SER A 5 -10.728 -11.552 -10.001 1.00 0.00 O ATOM 0 H SER A 5 -13.336 -14.340 -9.387 1.00 0.00 H new ATOM 0 HA SER A 5 -11.943 -13.374 -11.557 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.689 -12.036 -9.606 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.505 -12.831 -8.588 1.00 0.00 H new ATOM 0 HG SER A 5 -10.747 -10.789 -9.386 1.00 0.00 H new ATOM 48 N SER A 6 -9.670 -14.312 -11.717 1.00 0.00 N ATOM 49 CA SER A 6 -8.344 -14.899 -11.867 1.00 0.00 C ATOM 50 C SER A 6 -7.360 -14.277 -10.880 1.00 0.00 C ATOM 51 O SER A 6 -7.555 -13.155 -10.416 1.00 0.00 O ATOM 52 CB SER A 6 -7.837 -14.708 -13.298 1.00 0.00 C ATOM 53 OG SER A 6 -7.301 -13.409 -13.480 1.00 0.00 O ATOM 0 H SER A 6 -10.035 -13.873 -12.562 1.00 0.00 H new ATOM 0 HA SER A 6 -8.420 -15.966 -11.655 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.074 -15.454 -13.519 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.654 -14.870 -14.001 1.00 0.00 H new ATOM 0 HG SER A 6 -6.982 -13.313 -14.402 1.00 0.00 H new ATOM 59 N GLY A 7 -6.301 -15.017 -10.564 1.00 0.00 N ATOM 60 CA GLY A 7 -5.302 -14.524 -9.634 1.00 0.00 C ATOM 61 C GLY A 7 -5.667 -14.803 -8.189 1.00 0.00 C ATOM 62 O GLY A 7 -6.774 -15.256 -7.898 1.00 0.00 O ATOM 0 H GLY A 7 -6.117 -15.949 -10.936 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.341 -14.987 -9.859 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.179 -13.450 -9.774 1.00 0.00 H new ATOM 66 N ASP A 8 -4.734 -14.534 -7.283 1.00 0.00 N ATOM 67 CA ASP A 8 -4.962 -14.759 -5.860 1.00 0.00 C ATOM 68 C ASP A 8 -4.760 -13.472 -5.067 1.00 0.00 C ATOM 69 O ASP A 8 -4.428 -13.507 -3.882 1.00 0.00 O ATOM 70 CB ASP A 8 -4.024 -15.848 -5.338 1.00 0.00 C ATOM 71 CG ASP A 8 -4.612 -17.238 -5.485 1.00 0.00 C ATOM 72 OD1 ASP A 8 -5.742 -17.458 -5.003 1.00 0.00 O ATOM 73 OD2 ASP A 8 -3.940 -18.106 -6.081 1.00 0.00 O ATOM 0 H ASP A 8 -3.812 -14.160 -7.508 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.994 -15.086 -5.729 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.078 -15.798 -5.877 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.802 -15.660 -4.288 1.00 0.00 H new ATOM 78 N ALA A 9 -4.960 -12.337 -5.729 1.00 0.00 N ATOM 79 CA ALA A 9 -4.800 -11.039 -5.085 1.00 0.00 C ATOM 80 C ALA A 9 -6.039 -10.172 -5.283 1.00 0.00 C ATOM 81 O ALA A 9 -6.446 -9.903 -6.413 1.00 0.00 O ATOM 82 CB ALA A 9 -3.566 -10.331 -5.624 1.00 0.00 C ATOM 0 H ALA A 9 -5.233 -12.290 -6.711 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.672 -11.205 -4.015 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.459 -9.363 -5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.683 -10.938 -5.426 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.671 -10.184 -6.699 1.00 0.00 H new ATOM 88 N ALA A 10 -6.635 -9.738 -4.177 1.00 0.00 N ATOM 89 CA ALA A 10 -7.826 -8.900 -4.230 1.00 0.00 C ATOM 90 C ALA A 10 -7.666 -7.781 -5.254 1.00 0.00 C ATOM 91 O ALA A 10 -8.552 -7.546 -6.076 1.00 0.00 O ATOM 92 CB ALA A 10 -8.126 -8.321 -2.855 1.00 0.00 C ATOM 0 H ALA A 10 -6.312 -9.953 -3.234 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.664 -9.523 -4.541 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.018 -7.697 -2.910 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.294 -9.133 -2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.281 -7.718 -2.522 1.00 0.00 H new ATOM 98 N LYS A 11 -6.530 -7.093 -5.199 1.00 0.00 N ATOM 99 CA LYS A 11 -6.253 -5.999 -6.121 1.00 0.00 C ATOM 100 C LYS A 11 -4.756 -5.882 -6.392 1.00 0.00 C ATOM 101 O LYS A 11 -3.936 -6.358 -5.607 1.00 0.00 O ATOM 102 CB LYS A 11 -6.784 -4.680 -5.555 1.00 0.00 C ATOM 103 CG LYS A 11 -6.804 -3.548 -6.567 1.00 0.00 C ATOM 104 CD LYS A 11 -7.864 -2.514 -6.227 1.00 0.00 C ATOM 105 CE LYS A 11 -7.622 -1.204 -6.961 1.00 0.00 C ATOM 106 NZ LYS A 11 -8.046 -1.281 -8.386 1.00 0.00 N ATOM 0 H LYS A 11 -5.786 -7.274 -4.525 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.760 -6.213 -7.062 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.795 -4.837 -5.178 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.169 -4.385 -4.705 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.825 -3.070 -6.599 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.994 -3.951 -7.562 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.849 -2.902 -6.488 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.867 -2.335 -5.152 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.167 -0.402 -6.463 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.563 -0.949 -6.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.865 -0.369 -8.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.508 -2.029 -8.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.062 -1.499 -8.435 1.00 0.00 H new ATOM 120 N GLU A 12 -4.408 -5.244 -7.505 1.00 0.00 N ATOM 121 CA GLU A 12 -3.010 -5.064 -7.877 1.00 0.00 C ATOM 122 C GLU A 12 -2.844 -3.868 -8.809 1.00 0.00 C ATOM 123 O GLU A 12 -3.738 -3.547 -9.591 1.00 0.00 O ATOM 124 CB GLU A 12 -2.472 -6.328 -8.551 1.00 0.00 C ATOM 125 CG GLU A 12 -3.079 -6.594 -9.919 1.00 0.00 C ATOM 126 CD GLU A 12 -2.798 -7.997 -10.419 1.00 0.00 C ATOM 127 OE1 GLU A 12 -1.615 -8.318 -10.657 1.00 0.00 O ATOM 128 OE2 GLU A 12 -3.763 -8.776 -10.572 1.00 0.00 O ATOM 0 H GLU A 12 -5.075 -4.843 -8.165 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.440 -4.875 -6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.390 -6.243 -8.653 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.665 -7.184 -7.905 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.157 -6.439 -9.870 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.685 -5.872 -10.634 1.00 0.00 H new ATOM 135 N GLY A 13 -1.692 -3.210 -8.719 1.00 0.00 N ATOM 136 CA GLY A 13 -1.429 -2.056 -9.558 1.00 0.00 C ATOM 137 C GLY A 13 -0.231 -1.256 -9.086 1.00 0.00 C ATOM 138 O GLY A 13 0.124 -1.295 -7.908 1.00 0.00 O ATOM 0 H GLY A 13 -0.936 -3.456 -8.080 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.260 -2.387 -10.583 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.309 -1.413 -9.572 1.00 0.00 H new ATOM 142 N TRP A 14 0.394 -0.531 -10.007 1.00 0.00 N ATOM 143 CA TRP A 14 1.561 0.280 -9.678 1.00 0.00 C ATOM 144 C TRP A 14 1.173 1.457 -8.791 1.00 0.00 C ATOM 145 O TRP A 14 0.220 2.181 -9.084 1.00 0.00 O ATOM 146 CB TRP A 14 2.232 0.787 -10.956 1.00 0.00 C ATOM 147 CG TRP A 14 2.894 -0.298 -11.750 1.00 0.00 C ATOM 148 CD1 TRP A 14 2.293 -1.156 -12.626 1.00 0.00 C ATOM 149 CD2 TRP A 14 4.284 -0.641 -11.739 1.00 0.00 C ATOM 150 NE1 TRP A 14 3.226 -2.012 -13.160 1.00 0.00 N ATOM 151 CE2 TRP A 14 4.455 -1.717 -12.632 1.00 0.00 C ATOM 152 CE3 TRP A 14 5.401 -0.144 -11.062 1.00 0.00 C ATOM 153 CZ2 TRP A 14 5.697 -2.302 -12.864 1.00 0.00 C ATOM 154 CZ3 TRP A 14 6.633 -0.726 -11.293 1.00 0.00 C ATOM 155 CH2 TRP A 14 6.773 -1.795 -12.188 1.00 0.00 C ATOM 0 H TRP A 14 0.113 -0.488 -10.986 1.00 0.00 H new ATOM 0 HA TRP A 14 2.265 -0.346 -9.130 1.00 0.00 H new ATOM 0 HB2 TRP A 14 1.485 1.279 -11.579 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.975 1.540 -10.694 1.00 0.00 H new ATOM 0 HD1 TRP A 14 1.240 -1.161 -12.864 1.00 0.00 H new ATOM 0 HE1 TRP A 14 3.034 -2.748 -13.840 1.00 0.00 H new ATOM 0 HE3 TRP A 14 5.303 0.680 -10.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.807 -3.126 -13.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.503 -0.350 -10.775 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.750 -2.227 -12.347 1.00 0.00 H new ATOM 166 N LEU A 15 1.916 1.645 -7.706 1.00 0.00 N ATOM 167 CA LEU A 15 1.649 2.736 -6.775 1.00 0.00 C ATOM 168 C LEU A 15 2.925 3.161 -6.054 1.00 0.00 C ATOM 169 O LEU A 15 3.884 2.394 -5.964 1.00 0.00 O ATOM 170 CB LEU A 15 0.589 2.316 -5.755 1.00 0.00 C ATOM 171 CG LEU A 15 -0.646 1.615 -6.322 1.00 0.00 C ATOM 172 CD1 LEU A 15 -1.387 0.869 -5.223 1.00 0.00 C ATOM 173 CD2 LEU A 15 -1.565 2.619 -7.001 1.00 0.00 C ATOM 0 H LEU A 15 2.708 1.056 -7.449 1.00 0.00 H new ATOM 0 HA LEU A 15 1.276 3.586 -7.347 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.056 1.653 -5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.262 3.204 -5.214 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.319 0.891 -7.068 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.263 0.376 -5.645 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.727 0.122 -4.782 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.702 1.574 -4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.438 2.102 -7.398 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.885 3.367 -6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.031 3.108 -7.816 1.00 0.00 H new ATOM 185 N HIS A 16 2.928 4.387 -5.541 1.00 0.00 N ATOM 186 CA HIS A 16 4.085 4.913 -4.825 1.00 0.00 C ATOM 187 C HIS A 16 3.975 4.626 -3.331 1.00 0.00 C ATOM 188 O HIS A 16 3.124 5.188 -2.641 1.00 0.00 O ATOM 189 CB HIS A 16 4.214 6.419 -5.059 1.00 0.00 C ATOM 190 CG HIS A 16 4.727 6.772 -6.421 1.00 0.00 C ATOM 191 ND1 HIS A 16 4.069 7.117 -7.553 1.00 0.00 N flip ATOM 192 CD2 HIS A 16 6.069 6.792 -6.738 1.00 0.00 C flip ATOM 193 CE1 HIS A 16 5.016 7.339 -8.522 1.00 0.00 C flip ATOM 194 NE2 HIS A 16 6.215 7.137 -8.005 1.00 0.00 N flip ATOM 0 H HIS A 16 2.143 5.035 -5.608 1.00 0.00 H new ATOM 0 HA HIS A 16 4.976 4.416 -5.208 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.239 6.885 -4.915 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.883 6.839 -4.308 1.00 0.00 H new ATOM 0 HD2 HIS A 16 6.875 6.562 -6.057 1.00 0.00 H new ATOM 0 HE1 HIS A 16 4.814 7.631 -9.542 1.00 0.00 H new ATOM 0 HE2 HIS A 16 7.102 7.231 -8.500 1.00 0.00 H new ATOM 203 N PHE A 17 4.842 3.748 -2.837 1.00 0.00 N ATOM 204 CA PHE A 17 4.841 3.385 -1.425 1.00 0.00 C ATOM 205 C PHE A 17 5.885 4.190 -0.656 1.00 0.00 C ATOM 206 O PHE A 17 7.088 3.998 -0.835 1.00 0.00 O ATOM 207 CB PHE A 17 5.113 1.888 -1.261 1.00 0.00 C ATOM 208 CG PHE A 17 5.684 1.525 0.080 1.00 0.00 C ATOM 209 CD1 PHE A 17 4.863 1.422 1.192 1.00 0.00 C ATOM 210 CD2 PHE A 17 7.041 1.288 0.230 1.00 0.00 C ATOM 211 CE1 PHE A 17 5.384 1.088 2.428 1.00 0.00 C ATOM 212 CE2 PHE A 17 7.568 0.953 1.463 1.00 0.00 C ATOM 213 CZ PHE A 17 6.739 0.855 2.563 1.00 0.00 C ATOM 0 H PHE A 17 5.554 3.275 -3.394 1.00 0.00 H new ATOM 0 HA PHE A 17 3.857 3.615 -1.017 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.183 1.339 -1.411 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.803 1.565 -2.040 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.803 1.605 1.092 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.694 1.366 -0.626 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.733 1.009 3.286 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.627 0.768 1.566 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.150 0.596 3.528 1.00 0.00 H new ATOM 223 N ARG A 18 5.415 5.092 0.200 1.00 0.00 N ATOM 224 CA ARG A 18 6.307 5.928 0.995 1.00 0.00 C ATOM 225 C ARG A 18 6.092 5.686 2.486 1.00 0.00 C ATOM 226 O ARG A 18 5.207 6.268 3.113 1.00 0.00 O ATOM 227 CB ARG A 18 6.081 7.405 0.669 1.00 0.00 C ATOM 228 CG ARG A 18 7.194 8.315 1.163 1.00 0.00 C ATOM 229 CD ARG A 18 6.843 9.781 0.968 1.00 0.00 C ATOM 230 NE ARG A 18 7.899 10.666 1.451 1.00 0.00 N ATOM 231 CZ ARG A 18 8.109 10.927 2.736 1.00 0.00 C ATOM 232 NH1 ARG A 18 7.339 10.373 3.663 1.00 0.00 N ATOM 233 NH2 ARG A 18 9.091 11.743 3.098 1.00 0.00 N ATOM 0 H ARG A 18 4.422 5.262 0.361 1.00 0.00 H new ATOM 0 HA ARG A 18 7.334 5.661 0.745 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.982 7.519 -0.410 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.138 7.726 1.111 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.381 8.122 2.219 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.116 8.086 0.629 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.665 9.973 -0.090 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.914 10.004 1.493 1.00 0.00 H new ATOM 0 HE ARG A 18 8.509 11.108 0.764 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.583 9.745 3.390 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.502 10.575 4.649 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.686 12.171 2.389 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.251 11.942 4.086 1.00 0.00 H new ATOM 247 N PRO A 19 6.921 4.808 3.069 1.00 0.00 N ATOM 248 CA PRO A 19 6.842 4.469 4.493 1.00 0.00 C ATOM 249 C PRO A 19 7.279 5.624 5.388 1.00 0.00 C ATOM 250 O PRO A 19 8.207 6.363 5.058 1.00 0.00 O ATOM 251 CB PRO A 19 7.809 3.290 4.632 1.00 0.00 C ATOM 252 CG PRO A 19 8.778 3.461 3.513 1.00 0.00 C ATOM 253 CD PRO A 19 8.000 4.077 2.383 1.00 0.00 C ATOM 0 HA PRO A 19 5.822 4.240 4.801 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.313 3.304 5.598 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.285 2.337 4.560 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.608 4.102 3.810 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.205 2.503 3.216 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.620 4.745 1.785 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.605 3.319 1.707 1.00 0.00 H new ATOM 261 N LEU A 20 6.605 5.773 6.523 1.00 0.00 N ATOM 262 CA LEU A 20 6.923 6.839 7.468 1.00 0.00 C ATOM 263 C LEU A 20 8.122 6.459 8.332 1.00 0.00 C ATOM 264 O LEU A 20 8.981 7.292 8.620 1.00 0.00 O ATOM 265 CB LEU A 20 5.714 7.139 8.355 1.00 0.00 C ATOM 266 CG LEU A 20 4.617 7.997 7.726 1.00 0.00 C ATOM 267 CD1 LEU A 20 5.073 9.443 7.605 1.00 0.00 C ATOM 268 CD2 LEU A 20 4.221 7.444 6.365 1.00 0.00 C ATOM 0 H LEU A 20 5.835 5.170 6.812 1.00 0.00 H new ATOM 0 HA LEU A 20 7.177 7.733 6.899 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.273 6.192 8.666 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.066 7.639 9.257 1.00 0.00 H new ATOM 0 HG LEU A 20 3.742 7.967 8.376 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.279 10.039 7.155 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.304 9.836 8.595 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.963 9.493 6.978 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.439 8.068 5.932 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.089 7.442 5.706 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.851 6.425 6.480 1.00 0.00 H new ATOM 280 N VAL A 21 8.173 5.196 8.742 1.00 0.00 N ATOM 281 CA VAL A 21 9.267 4.705 9.571 1.00 0.00 C ATOM 282 C VAL A 21 9.215 3.188 9.708 1.00 0.00 C ATOM 283 O VAL A 21 8.140 2.588 9.688 1.00 0.00 O ATOM 284 CB VAL A 21 9.236 5.338 10.975 1.00 0.00 C ATOM 285 CG1 VAL A 21 8.207 4.642 11.852 1.00 0.00 C ATOM 286 CG2 VAL A 21 10.616 5.285 11.613 1.00 0.00 C ATOM 0 H VAL A 21 7.469 4.494 8.513 1.00 0.00 H new ATOM 0 HA VAL A 21 10.194 4.990 9.073 1.00 0.00 H new ATOM 0 HB VAL A 21 8.946 6.384 10.877 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.200 5.103 12.840 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.220 4.737 11.400 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.463 3.587 11.946 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.576 5.736 12.604 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.937 4.247 11.700 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.325 5.834 10.993 1.00 0.00 H new ATOM 296 N THR A 22 10.384 2.571 9.849 1.00 0.00 N ATOM 297 CA THR A 22 10.472 1.123 9.989 1.00 0.00 C ATOM 298 C THR A 22 11.066 0.736 11.339 1.00 0.00 C ATOM 299 O THR A 22 10.682 -0.273 11.931 1.00 0.00 O ATOM 300 CB THR A 22 11.327 0.501 8.868 1.00 0.00 C ATOM 301 OG1 THR A 22 12.659 1.024 8.920 1.00 0.00 O ATOM 302 CG2 THR A 22 10.718 0.784 7.503 1.00 0.00 C ATOM 0 H THR A 22 11.283 3.052 9.869 1.00 0.00 H new ATOM 0 HA THR A 22 9.455 0.736 9.918 1.00 0.00 H new ATOM 0 HB THR A 22 11.355 -0.578 9.019 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.196 0.622 8.206 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.339 0.335 6.728 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.715 0.359 7.457 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.663 1.861 7.345 1.00 0.00 H new ATOM 310 N ASP A 23 12.004 1.545 11.821 1.00 0.00 N ATOM 311 CA ASP A 23 12.649 1.288 13.103 1.00 0.00 C ATOM 312 C ASP A 23 11.990 2.098 14.215 1.00 0.00 C ATOM 313 O ASP A 23 11.261 3.054 13.953 1.00 0.00 O ATOM 314 CB ASP A 23 14.139 1.624 13.024 1.00 0.00 C ATOM 315 CG ASP A 23 14.950 0.915 14.090 1.00 0.00 C ATOM 316 OD1 ASP A 23 14.890 1.341 15.263 1.00 0.00 O ATOM 317 OD2 ASP A 23 15.646 -0.066 13.753 1.00 0.00 O ATOM 0 H ASP A 23 12.334 2.384 11.343 1.00 0.00 H new ATOM 0 HA ASP A 23 12.535 0.229 13.334 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.519 1.349 12.040 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.271 2.701 13.127 1.00 0.00 H new ATOM 322 N LYS A 24 12.251 1.707 15.458 1.00 0.00 N ATOM 323 CA LYS A 24 11.684 2.396 16.611 1.00 0.00 C ATOM 324 C LYS A 24 12.773 2.765 17.614 1.00 0.00 C ATOM 325 O LYS A 24 12.689 3.791 18.287 1.00 0.00 O ATOM 326 CB LYS A 24 10.630 1.517 17.288 1.00 0.00 C ATOM 327 CG LYS A 24 9.900 2.210 18.426 1.00 0.00 C ATOM 328 CD LYS A 24 8.484 1.683 18.584 1.00 0.00 C ATOM 329 CE LYS A 24 7.552 2.267 17.533 1.00 0.00 C ATOM 330 NZ LYS A 24 7.404 3.741 17.681 1.00 0.00 N ATOM 0 H LYS A 24 12.852 0.917 15.692 1.00 0.00 H new ATOM 0 HA LYS A 24 11.212 3.313 16.259 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.902 1.197 16.542 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.111 0.617 17.671 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.450 2.062 19.355 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.871 3.284 18.240 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.488 0.596 18.505 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.112 1.929 19.579 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.937 2.039 16.539 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.573 1.794 17.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.528 4.051 17.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.362 3.986 18.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.218 4.217 17.243 1.00 0.00 H new ATOM 344 N GLY A 25 13.797 1.921 17.707 1.00 0.00 N ATOM 345 CA GLY A 25 14.888 2.178 18.628 1.00 0.00 C ATOM 346 C GLY A 25 16.051 2.890 17.967 1.00 0.00 C ATOM 347 O GLY A 25 17.210 2.645 18.299 1.00 0.00 O ATOM 0 H GLY A 25 13.890 1.065 17.161 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.523 2.781 19.460 1.00 0.00 H new ATOM 0 HA3 GLY A 25 15.235 1.234 19.047 1.00 0.00 H new ATOM 351 N LYS A 26 15.741 3.775 17.025 1.00 0.00 N ATOM 352 CA LYS A 26 16.769 4.526 16.313 1.00 0.00 C ATOM 353 C LYS A 26 16.341 5.976 16.111 1.00 0.00 C ATOM 354 O LYS A 26 15.231 6.248 15.653 1.00 0.00 O ATOM 355 CB LYS A 26 17.058 3.876 14.958 1.00 0.00 C ATOM 356 CG LYS A 26 18.119 2.790 15.019 1.00 0.00 C ATOM 357 CD LYS A 26 19.509 3.378 15.200 1.00 0.00 C ATOM 358 CE LYS A 26 20.096 3.840 13.875 1.00 0.00 C ATOM 359 NZ LYS A 26 20.346 2.699 12.952 1.00 0.00 N ATOM 0 H LYS A 26 14.786 3.990 16.737 1.00 0.00 H new ATOM 0 HA LYS A 26 17.677 4.513 16.917 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.135 3.449 14.565 1.00 0.00 H new ATOM 0 HB3 LYS A 26 17.378 4.646 14.256 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.900 2.112 15.844 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.089 2.199 14.104 1.00 0.00 H new ATOM 0 HD2 LYS A 26 19.462 4.219 15.891 1.00 0.00 H new ATOM 0 HD3 LYS A 26 20.165 2.632 15.649 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.414 4.547 13.402 1.00 0.00 H new ATOM 0 HE3 LYS A 26 21.030 4.371 14.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 21.072 2.967 12.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 20.675 1.877 13.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.465 2.455 12.456 1.00 0.00 H new ATOM 373 N ARG A 27 17.229 6.903 16.455 1.00 0.00 N ATOM 374 CA ARG A 27 16.942 8.326 16.311 1.00 0.00 C ATOM 375 C ARG A 27 17.500 8.862 14.996 1.00 0.00 C ATOM 376 O ARG A 27 18.677 9.208 14.904 1.00 0.00 O ATOM 377 CB ARG A 27 17.535 9.108 17.485 1.00 0.00 C ATOM 378 CG ARG A 27 16.944 10.499 17.650 1.00 0.00 C ATOM 379 CD ARG A 27 17.568 11.488 16.678 1.00 0.00 C ATOM 380 NE ARG A 27 17.157 12.862 16.956 1.00 0.00 N ATOM 381 CZ ARG A 27 17.483 13.896 16.188 1.00 0.00 C ATOM 382 NH1 ARG A 27 18.220 13.713 15.102 1.00 0.00 N ATOM 383 NH2 ARG A 27 17.071 15.116 16.507 1.00 0.00 N ATOM 0 H ARG A 27 18.152 6.695 16.835 1.00 0.00 H new ATOM 0 HA ARG A 27 15.860 8.455 16.306 1.00 0.00 H new ATOM 0 HB2 ARG A 27 17.376 8.544 18.404 1.00 0.00 H new ATOM 0 HB3 ARG A 27 18.613 9.194 17.346 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.867 10.459 17.489 1.00 0.00 H new ATOM 0 HG3 ARG A 27 17.101 10.843 18.672 1.00 0.00 H new ATOM 0 HD2 ARG A 27 18.654 11.416 16.735 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.284 11.224 15.659 1.00 0.00 H new ATOM 0 HE ARG A 27 16.589 13.037 17.785 1.00 0.00 H new ATOM 0 HH11 ARG A 27 18.539 12.776 14.854 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.469 14.509 14.514 1.00 0.00 H new ATOM 0 HH21 ARG A 27 16.504 15.261 17.342 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.322 15.909 15.917 1.00 0.00 H new ATOM 397 N VAL A 28 16.645 8.927 13.980 1.00 0.00 N ATOM 398 CA VAL A 28 17.051 9.422 12.670 1.00 0.00 C ATOM 399 C VAL A 28 16.533 10.836 12.431 1.00 0.00 C ATOM 400 O VAL A 28 15.467 11.208 12.920 1.00 0.00 O ATOM 401 CB VAL A 28 16.544 8.504 11.542 1.00 0.00 C ATOM 402 CG1 VAL A 28 17.085 7.093 11.717 1.00 0.00 C ATOM 403 CG2 VAL A 28 15.023 8.500 11.502 1.00 0.00 C ATOM 0 H VAL A 28 15.667 8.643 14.039 1.00 0.00 H new ATOM 0 HA VAL A 28 18.141 9.431 12.659 1.00 0.00 H new ATOM 0 HB VAL A 28 16.909 8.891 10.591 1.00 0.00 H new ATOM 0 HG11 VAL A 28 16.716 6.459 10.911 1.00 0.00 H new ATOM 0 HG12 VAL A 28 18.174 7.115 11.691 1.00 0.00 H new ATOM 0 HG13 VAL A 28 16.753 6.692 12.675 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.682 7.846 10.699 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.635 8.138 12.454 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.661 9.513 11.324 1.00 0.00 H new ATOM 413 N GLY A 29 17.295 11.620 11.675 1.00 0.00 N ATOM 414 CA GLY A 29 16.896 12.985 11.384 1.00 0.00 C ATOM 415 C GLY A 29 16.344 13.141 9.981 1.00 0.00 C ATOM 416 O GLY A 29 17.007 13.692 9.103 1.00 0.00 O ATOM 0 H GLY A 29 18.181 11.335 11.259 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.142 13.301 12.105 1.00 0.00 H new ATOM 0 HA3 GLY A 29 17.754 13.646 11.509 1.00 0.00 H new ATOM 420 N GLY A 30 15.126 12.652 9.768 1.00 0.00 N ATOM 421 CA GLY A 30 14.506 12.748 8.459 1.00 0.00 C ATOM 422 C GLY A 30 14.207 11.389 7.858 1.00 0.00 C ATOM 423 O GLY A 30 14.852 10.397 8.197 1.00 0.00 O ATOM 0 H GLY A 30 14.558 12.191 10.479 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.580 13.318 8.540 1.00 0.00 H new ATOM 0 HA3 GLY A 30 15.164 13.302 7.789 1.00 0.00 H new ATOM 427 N SER A 31 13.225 11.342 6.963 1.00 0.00 N ATOM 428 CA SER A 31 12.838 10.094 6.317 1.00 0.00 C ATOM 429 C SER A 31 14.055 9.386 5.729 1.00 0.00 C ATOM 430 O SER A 31 15.070 10.017 5.432 1.00 0.00 O ATOM 431 CB SER A 31 11.809 10.361 5.218 1.00 0.00 C ATOM 432 OG SER A 31 11.039 9.203 4.947 1.00 0.00 O ATOM 0 H SER A 31 12.683 12.155 6.669 1.00 0.00 H new ATOM 0 HA SER A 31 12.392 9.446 7.072 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.152 11.176 5.521 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.318 10.684 4.310 1.00 0.00 H new ATOM 0 HG SER A 31 10.388 9.401 4.242 1.00 0.00 H new ATOM 438 N ILE A 32 13.946 8.072 5.564 1.00 0.00 N ATOM 439 CA ILE A 32 15.036 7.279 5.010 1.00 0.00 C ATOM 440 C ILE A 32 15.062 7.367 3.488 1.00 0.00 C ATOM 441 O ILE A 32 16.130 7.406 2.877 1.00 0.00 O ATOM 442 CB ILE A 32 14.923 5.800 5.425 1.00 0.00 C ATOM 443 CG1 ILE A 32 15.144 5.653 6.932 1.00 0.00 C ATOM 444 CG2 ILE A 32 15.925 4.955 4.652 1.00 0.00 C ATOM 445 CD1 ILE A 32 13.887 5.852 7.749 1.00 0.00 C ATOM 0 H ILE A 32 13.114 7.534 5.806 1.00 0.00 H new ATOM 0 HA ILE A 32 15.962 7.691 5.411 1.00 0.00 H new ATOM 0 HB ILE A 32 13.920 5.446 5.188 1.00 0.00 H new ATOM 0 HG12 ILE A 32 15.548 4.661 7.137 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.895 6.375 7.253 1.00 0.00 H new ATOM 0 HG21 ILE A 32 15.833 3.912 4.956 1.00 0.00 H new ATOM 0 HG22 ILE A 32 15.725 5.040 3.584 1.00 0.00 H new ATOM 0 HG23 ILE A 32 16.935 5.306 4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.118 5.733 8.808 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.494 6.853 7.574 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.142 5.113 7.456 1.00 0.00 H new ATOM 457 N ARG A 33 13.880 7.401 2.882 1.00 0.00 N ATOM 458 CA ARG A 33 13.767 7.486 1.431 1.00 0.00 C ATOM 459 C ARG A 33 12.430 8.100 1.024 1.00 0.00 C ATOM 460 O ARG A 33 11.397 7.870 1.654 1.00 0.00 O ATOM 461 CB ARG A 33 13.915 6.098 0.805 1.00 0.00 C ATOM 462 CG ARG A 33 15.354 5.614 0.731 1.00 0.00 C ATOM 463 CD ARG A 33 15.484 4.389 -0.162 1.00 0.00 C ATOM 464 NE ARG A 33 15.016 3.176 0.502 1.00 0.00 N ATOM 465 CZ ARG A 33 15.018 1.977 -0.070 1.00 0.00 C ATOM 466 NH1 ARG A 33 15.462 1.832 -1.311 1.00 0.00 N ATOM 467 NH2 ARG A 33 14.576 0.920 0.599 1.00 0.00 N ATOM 0 H ARG A 33 12.987 7.371 3.373 1.00 0.00 H new ATOM 0 HA ARG A 33 14.568 8.129 1.066 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.329 5.383 1.383 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.494 6.115 -0.200 1.00 0.00 H new ATOM 0 HG2 ARG A 33 15.989 6.413 0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 33 15.711 5.375 1.733 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.912 4.545 -1.077 1.00 0.00 H new ATOM 0 HD3 ARG A 33 16.526 4.263 -0.455 1.00 0.00 H new ATOM 0 HE ARG A 33 14.668 3.253 1.458 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.803 2.642 -1.829 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.463 0.910 -1.748 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.234 1.027 1.554 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.578 0.000 0.158 1.00 0.00 H new ATOM 481 N PRO A 34 12.449 8.899 -0.052 1.00 0.00 N ATOM 482 CA PRO A 34 11.247 9.562 -0.567 1.00 0.00 C ATOM 483 C PRO A 34 10.265 8.578 -1.193 1.00 0.00 C ATOM 484 O PRO A 34 10.441 7.363 -1.093 1.00 0.00 O ATOM 485 CB PRO A 34 11.796 10.518 -1.629 1.00 0.00 C ATOM 486 CG PRO A 34 13.081 9.902 -2.065 1.00 0.00 C ATOM 487 CD PRO A 34 13.645 9.217 -0.851 1.00 0.00 C ATOM 0 HA PRO A 34 10.686 10.059 0.224 1.00 0.00 H new ATOM 0 HB2 PRO A 34 11.103 10.622 -2.464 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.954 11.516 -1.220 1.00 0.00 H new ATOM 0 HG2 PRO A 34 12.918 9.190 -2.874 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.769 10.659 -2.441 1.00 0.00 H new ATOM 0 HD2 PRO A 34 14.200 8.318 -1.119 1.00 0.00 H new ATOM 0 HD3 PRO A 34 14.331 9.865 -0.306 1.00 0.00 H new ATOM 495 N TRP A 35 9.233 9.109 -1.839 1.00 0.00 N ATOM 496 CA TRP A 35 8.224 8.276 -2.482 1.00 0.00 C ATOM 497 C TRP A 35 8.874 7.218 -3.367 1.00 0.00 C ATOM 498 O TRP A 35 9.595 7.542 -4.311 1.00 0.00 O ATOM 499 CB TRP A 35 7.273 9.140 -3.312 1.00 0.00 C ATOM 500 CG TRP A 35 6.410 10.040 -2.481 1.00 0.00 C ATOM 501 CD1 TRP A 35 6.702 11.311 -2.075 1.00 0.00 C ATOM 502 CD2 TRP A 35 5.114 9.736 -1.953 1.00 0.00 C ATOM 503 NE1 TRP A 35 5.666 11.815 -1.327 1.00 0.00 N ATOM 504 CE2 TRP A 35 4.680 10.869 -1.238 1.00 0.00 C ATOM 505 CE3 TRP A 35 4.278 8.618 -2.016 1.00 0.00 C ATOM 506 CZ2 TRP A 35 3.447 10.914 -0.591 1.00 0.00 C ATOM 507 CZ3 TRP A 35 3.055 8.664 -1.374 1.00 0.00 C ATOM 508 CH2 TRP A 35 2.649 9.805 -0.669 1.00 0.00 C ATOM 0 H TRP A 35 9.073 10.112 -1.931 1.00 0.00 H new ATOM 0 HA TRP A 35 7.656 7.770 -1.702 1.00 0.00 H new ATOM 0 HB2 TRP A 35 7.856 9.746 -4.005 1.00 0.00 H new ATOM 0 HB3 TRP A 35 6.636 8.492 -3.914 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.613 11.842 -2.308 1.00 0.00 H new ATOM 0 HE1 TRP A 35 5.636 12.744 -0.906 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.582 7.734 -2.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.132 11.793 -0.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.401 7.806 -1.416 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.687 9.809 -0.178 1.00 0.00 H new ATOM 519 N LYS A 36 8.614 5.952 -3.058 1.00 0.00 N ATOM 520 CA LYS A 36 9.172 4.846 -3.827 1.00 0.00 C ATOM 521 C LYS A 36 8.112 4.220 -4.728 1.00 0.00 C ATOM 522 O LYS A 36 6.998 3.939 -4.286 1.00 0.00 O ATOM 523 CB LYS A 36 9.750 3.786 -2.887 1.00 0.00 C ATOM 524 CG LYS A 36 11.056 4.200 -2.232 1.00 0.00 C ATOM 525 CD LYS A 36 11.712 3.035 -1.510 1.00 0.00 C ATOM 526 CE LYS A 36 11.080 2.796 -0.147 1.00 0.00 C ATOM 527 NZ LYS A 36 9.898 1.894 -0.234 1.00 0.00 N ATOM 0 H LYS A 36 8.020 5.666 -2.280 1.00 0.00 H new ATOM 0 HA LYS A 36 9.971 5.239 -4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.018 3.564 -2.110 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.910 2.865 -3.447 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.736 4.589 -2.989 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.869 5.009 -1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.623 2.134 -2.116 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.777 3.234 -1.389 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.820 2.361 0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.778 3.750 0.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.121 2.284 0.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.594 1.815 -1.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.153 0.952 0.126 1.00 0.00 H new ATOM 541 N GLN A 37 8.468 4.003 -5.990 1.00 0.00 N ATOM 542 CA GLN A 37 7.546 3.409 -6.951 1.00 0.00 C ATOM 543 C GLN A 37 7.819 1.917 -7.116 1.00 0.00 C ATOM 544 O GLN A 37 8.837 1.521 -7.681 1.00 0.00 O ATOM 545 CB GLN A 37 7.663 4.113 -8.304 1.00 0.00 C ATOM 546 CG GLN A 37 6.527 3.786 -9.260 1.00 0.00 C ATOM 547 CD GLN A 37 6.484 4.717 -10.455 1.00 0.00 C ATOM 548 OE1 GLN A 37 7.518 5.049 -11.036 1.00 0.00 O ATOM 549 NE2 GLN A 37 5.284 5.146 -10.829 1.00 0.00 N ATOM 0 H GLN A 37 9.387 4.229 -6.370 1.00 0.00 H new ATOM 0 HA GLN A 37 6.533 3.535 -6.570 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.692 5.191 -8.142 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.609 3.835 -8.768 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.635 2.759 -9.608 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.579 3.844 -8.725 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.453 4.846 -10.319 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.193 5.776 -11.626 1.00 0.00 H new ATOM 558 N MET A 38 6.901 1.094 -6.617 1.00 0.00 N ATOM 559 CA MET A 38 7.043 -0.354 -6.711 1.00 0.00 C ATOM 560 C MET A 38 5.678 -1.029 -6.801 1.00 0.00 C ATOM 561 O MET A 38 4.770 -0.719 -6.030 1.00 0.00 O ATOM 562 CB MET A 38 7.812 -0.891 -5.502 1.00 0.00 C ATOM 563 CG MET A 38 7.185 -0.519 -4.168 1.00 0.00 C ATOM 564 SD MET A 38 8.287 -0.823 -2.774 1.00 0.00 S ATOM 565 CE MET A 38 8.690 -2.549 -3.031 1.00 0.00 C ATOM 0 H MET A 38 6.052 1.405 -6.144 1.00 0.00 H new ATOM 0 HA MET A 38 7.602 -0.582 -7.619 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.874 -1.977 -5.575 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.833 -0.510 -5.533 1.00 0.00 H new ATOM 0 HG2 MET A 38 6.907 0.535 -4.183 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.266 -1.089 -4.031 1.00 0.00 H new ATOM 0 HE1 MET A 38 8.572 -3.094 -2.094 1.00 0.00 H new ATOM 0 HE2 MET A 38 8.023 -2.970 -3.783 1.00 0.00 H new ATOM 0 HE3 MET A 38 9.721 -2.635 -3.373 1.00 0.00 H new ATOM 575 N TYR A 39 5.541 -1.952 -7.746 1.00 0.00 N ATOM 576 CA TYR A 39 4.286 -2.669 -7.938 1.00 0.00 C ATOM 577 C TYR A 39 3.747 -3.189 -6.609 1.00 0.00 C ATOM 578 O TYR A 39 4.365 -4.035 -5.963 1.00 0.00 O ATOM 579 CB TYR A 39 4.482 -3.832 -8.912 1.00 0.00 C ATOM 580 CG TYR A 39 3.193 -4.335 -9.522 1.00 0.00 C ATOM 581 CD1 TYR A 39 2.586 -3.655 -10.570 1.00 0.00 C ATOM 582 CD2 TYR A 39 2.584 -5.491 -9.051 1.00 0.00 C ATOM 583 CE1 TYR A 39 1.408 -4.111 -11.130 1.00 0.00 C ATOM 584 CE2 TYR A 39 1.407 -5.955 -9.605 1.00 0.00 C ATOM 585 CZ TYR A 39 0.822 -5.261 -10.644 1.00 0.00 C ATOM 586 OH TYR A 39 -0.350 -5.720 -11.199 1.00 0.00 O ATOM 0 H TYR A 39 6.284 -2.221 -8.391 1.00 0.00 H new ATOM 0 HA TYR A 39 3.560 -1.972 -8.356 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.153 -3.517 -9.711 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.972 -4.654 -8.390 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.043 -2.755 -10.954 1.00 0.00 H new ATOM 0 HD2 TYR A 39 3.039 -6.037 -8.237 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.949 -3.570 -11.944 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.947 -6.856 -9.227 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.548 -6.614 -10.851 1.00 0.00 H new ATOM 596 N VAL A 40 2.588 -2.677 -6.207 1.00 0.00 N ATOM 597 CA VAL A 40 1.963 -3.090 -4.956 1.00 0.00 C ATOM 598 C VAL A 40 0.790 -4.030 -5.212 1.00 0.00 C ATOM 599 O VAL A 40 -0.133 -3.700 -5.957 1.00 0.00 O ATOM 600 CB VAL A 40 1.466 -1.876 -4.149 1.00 0.00 C ATOM 601 CG1 VAL A 40 0.717 -2.331 -2.906 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.632 -0.972 -3.777 1.00 0.00 C ATOM 0 H VAL A 40 2.063 -1.976 -6.729 1.00 0.00 H new ATOM 0 HA VAL A 40 2.726 -3.613 -4.379 1.00 0.00 H new ATOM 0 HB VAL A 40 0.776 -1.306 -4.771 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.374 -1.459 -2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.141 -2.935 -3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.381 -2.925 -2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.264 -0.119 -3.207 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.347 -1.530 -3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.122 -0.618 -4.684 1.00 0.00 H new ATOM 612 N VAL A 41 0.832 -5.204 -4.590 1.00 0.00 N ATOM 613 CA VAL A 41 -0.228 -6.192 -4.748 1.00 0.00 C ATOM 614 C VAL A 41 -0.858 -6.542 -3.405 1.00 0.00 C ATOM 615 O VAL A 41 -0.160 -6.716 -2.405 1.00 0.00 O ATOM 616 CB VAL A 41 0.300 -7.481 -5.407 1.00 0.00 C ATOM 617 CG1 VAL A 41 -0.800 -8.528 -5.490 1.00 0.00 C ATOM 618 CG2 VAL A 41 0.866 -7.180 -6.786 1.00 0.00 C ATOM 0 H VAL A 41 1.590 -5.494 -3.972 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.983 -5.745 -5.394 1.00 0.00 H new ATOM 0 HB VAL A 41 1.103 -7.882 -4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.408 -9.431 -5.958 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.154 -8.764 -4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.627 -8.140 -6.085 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.234 -8.101 -7.237 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.084 -6.755 -7.415 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.686 -6.467 -6.695 1.00 0.00 H new ATOM 628 N LEU A 42 -2.183 -6.646 -3.389 1.00 0.00 N ATOM 629 CA LEU A 42 -2.909 -6.976 -2.167 1.00 0.00 C ATOM 630 C LEU A 42 -3.429 -8.409 -2.215 1.00 0.00 C ATOM 631 O LEU A 42 -4.383 -8.710 -2.932 1.00 0.00 O ATOM 632 CB LEU A 42 -4.073 -6.005 -1.964 1.00 0.00 C ATOM 633 CG LEU A 42 -4.978 -6.284 -0.763 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.273 -5.914 0.533 1.00 0.00 C ATOM 635 CD2 LEU A 42 -6.289 -5.523 -0.896 1.00 0.00 C ATOM 0 H LEU A 42 -2.776 -6.507 -4.207 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.220 -6.886 -1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.667 -4.999 -1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.686 -6.011 -2.865 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.201 -7.351 -0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.932 -6.119 1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.362 -6.503 0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.020 -4.854 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.921 -5.733 -0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.085 -4.453 -0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.801 -5.837 -1.806 1.00 0.00 H new ATOM 647 N ARG A 43 -2.798 -9.288 -1.443 1.00 0.00 N ATOM 648 CA ARG A 43 -3.198 -10.689 -1.396 1.00 0.00 C ATOM 649 C ARG A 43 -3.690 -11.068 -0.002 1.00 0.00 C ATOM 650 O ARG A 43 -2.898 -11.217 0.927 1.00 0.00 O ATOM 651 CB ARG A 43 -2.028 -11.590 -1.798 1.00 0.00 C ATOM 652 CG ARG A 43 -1.697 -11.533 -3.280 1.00 0.00 C ATOM 653 CD ARG A 43 -0.520 -12.433 -3.623 1.00 0.00 C ATOM 654 NE ARG A 43 -0.363 -12.603 -5.065 1.00 0.00 N ATOM 655 CZ ARG A 43 0.705 -13.158 -5.628 1.00 0.00 C ATOM 656 NH1 ARG A 43 1.704 -13.595 -4.873 1.00 0.00 N ATOM 657 NH2 ARG A 43 0.774 -13.278 -6.947 1.00 0.00 N ATOM 0 H ARG A 43 -2.008 -9.055 -0.842 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.016 -10.831 -2.102 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.146 -11.302 -1.226 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.263 -12.619 -1.526 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.569 -11.835 -3.860 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.466 -10.506 -3.563 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.394 -12.009 -3.206 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.661 -13.408 -3.156 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.114 -12.278 -5.673 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.653 -13.505 -3.858 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.523 -14.021 -5.307 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.007 -12.944 -7.530 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.594 -13.704 -7.378 1.00 0.00 H new ATOM 671 N GLY A 44 -5.003 -11.222 0.135 1.00 0.00 N ATOM 672 CA GLY A 44 -5.578 -11.581 1.418 1.00 0.00 C ATOM 673 C GLY A 44 -5.583 -10.422 2.396 1.00 0.00 C ATOM 674 O GLY A 44 -6.399 -9.507 2.281 1.00 0.00 O ATOM 0 H GLY A 44 -5.679 -11.105 -0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.599 -11.932 1.270 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.015 -12.411 1.846 1.00 0.00 H new ATOM 678 N HIS A 45 -4.670 -10.461 3.362 1.00 0.00 N ATOM 679 CA HIS A 45 -4.573 -9.407 4.365 1.00 0.00 C ATOM 680 C HIS A 45 -3.152 -8.856 4.439 1.00 0.00 C ATOM 681 O HIS A 45 -2.798 -8.149 5.382 1.00 0.00 O ATOM 682 CB HIS A 45 -4.999 -9.936 5.735 1.00 0.00 C ATOM 683 CG HIS A 45 -6.042 -11.008 5.664 1.00 0.00 C ATOM 684 ND1 HIS A 45 -5.738 -12.353 5.646 1.00 0.00 N ATOM 685 CD2 HIS A 45 -7.392 -10.928 5.610 1.00 0.00 C ATOM 686 CE1 HIS A 45 -6.856 -13.054 5.581 1.00 0.00 C ATOM 687 NE2 HIS A 45 -7.875 -12.213 5.559 1.00 0.00 N ATOM 0 H HIS A 45 -3.987 -11.211 3.471 1.00 0.00 H new ATOM 0 HA HIS A 45 -5.243 -8.598 4.072 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.123 -10.326 6.253 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.380 -9.108 6.333 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.980 -10.022 5.607 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.925 -14.131 5.551 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.860 -12.475 5.512 1.00 0.00 H new ATOM 696 N SER A 46 -2.342 -9.186 3.437 1.00 0.00 N ATOM 697 CA SER A 46 -0.958 -8.729 3.391 1.00 0.00 C ATOM 698 C SER A 46 -0.674 -7.988 2.088 1.00 0.00 C ATOM 699 O SER A 46 -1.206 -8.336 1.033 1.00 0.00 O ATOM 700 CB SER A 46 -0.002 -9.914 3.536 1.00 0.00 C ATOM 701 OG SER A 46 -0.100 -10.494 4.825 1.00 0.00 O ATOM 0 H SER A 46 -2.621 -9.768 2.647 1.00 0.00 H new ATOM 0 HA SER A 46 -0.801 -8.041 4.222 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.230 -10.664 2.778 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.021 -9.583 3.360 1.00 0.00 H new ATOM 0 HG SER A 46 0.520 -11.250 4.891 1.00 0.00 H new ATOM 707 N LEU A 47 0.167 -6.963 2.169 1.00 0.00 N ATOM 708 CA LEU A 47 0.524 -6.171 0.997 1.00 0.00 C ATOM 709 C LEU A 47 1.913 -6.544 0.490 1.00 0.00 C ATOM 710 O LEU A 47 2.919 -6.264 1.142 1.00 0.00 O ATOM 711 CB LEU A 47 0.474 -4.679 1.331 1.00 0.00 C ATOM 712 CG LEU A 47 -0.874 -3.988 1.118 1.00 0.00 C ATOM 713 CD1 LEU A 47 -0.854 -2.586 1.707 1.00 0.00 C ATOM 714 CD2 LEU A 47 -1.221 -3.942 -0.363 1.00 0.00 C ATOM 0 H LEU A 47 0.615 -6.661 3.034 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.199 -6.385 0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.765 -4.551 2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.222 -4.166 0.726 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.642 -4.565 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.821 -2.110 1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.651 -2.644 2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.075 -1.998 1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.183 -3.447 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.451 -3.388 -0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.278 -4.957 -0.755 1.00 0.00 H new ATOM 726 N TYR A 48 1.961 -7.175 -0.678 1.00 0.00 N ATOM 727 CA TYR A 48 3.227 -7.586 -1.273 1.00 0.00 C ATOM 728 C TYR A 48 3.670 -6.598 -2.349 1.00 0.00 C ATOM 729 O TYR A 48 3.032 -6.474 -3.395 1.00 0.00 O ATOM 730 CB TYR A 48 3.101 -8.988 -1.873 1.00 0.00 C ATOM 731 CG TYR A 48 2.741 -10.050 -0.859 1.00 0.00 C ATOM 732 CD1 TYR A 48 3.627 -10.404 0.150 1.00 0.00 C ATOM 733 CD2 TYR A 48 1.513 -10.699 -0.911 1.00 0.00 C ATOM 734 CE1 TYR A 48 3.302 -11.374 1.078 1.00 0.00 C ATOM 735 CE2 TYR A 48 1.179 -11.670 0.014 1.00 0.00 C ATOM 736 CZ TYR A 48 2.077 -12.004 1.006 1.00 0.00 C ATOM 737 OH TYR A 48 1.749 -12.971 1.929 1.00 0.00 O ATOM 0 H TYR A 48 1.138 -7.413 -1.231 1.00 0.00 H new ATOM 0 HA TYR A 48 3.981 -7.601 -0.486 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.342 -8.972 -2.655 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.044 -9.257 -2.349 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.587 -9.912 0.210 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.808 -10.440 -1.687 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.003 -11.638 1.856 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.220 -12.164 -0.040 1.00 0.00 H new ATOM 0 HH TYR A 48 0.851 -13.314 1.738 1.00 0.00 H new ATOM 747 N LEU A 49 4.767 -5.898 -2.083 1.00 0.00 N ATOM 748 CA LEU A 49 5.298 -4.921 -3.028 1.00 0.00 C ATOM 749 C LEU A 49 6.365 -5.549 -3.919 1.00 0.00 C ATOM 750 O LEU A 49 6.961 -6.567 -3.567 1.00 0.00 O ATOM 751 CB LEU A 49 5.883 -3.724 -2.277 1.00 0.00 C ATOM 752 CG LEU A 49 4.956 -3.045 -1.268 1.00 0.00 C ATOM 753 CD1 LEU A 49 5.106 -3.681 0.105 1.00 0.00 C ATOM 754 CD2 LEU A 49 5.243 -1.552 -1.200 1.00 0.00 C ATOM 0 H LEU A 49 5.306 -5.988 -1.222 1.00 0.00 H new ATOM 0 HA LEU A 49 4.478 -4.580 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.780 -4.053 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.197 -2.980 -3.009 1.00 0.00 H new ATOM 0 HG LEU A 49 3.927 -3.182 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.439 -3.185 0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.850 -4.739 0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.136 -3.575 0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.574 -1.085 -0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.277 -1.394 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.084 -1.106 -2.182 1.00 0.00 H new ATOM 766 N TYR A 50 6.601 -4.934 -5.072 1.00 0.00 N ATOM 767 CA TYR A 50 7.597 -5.432 -6.014 1.00 0.00 C ATOM 768 C TYR A 50 8.176 -4.294 -6.848 1.00 0.00 C ATOM 769 O TYR A 50 7.441 -3.454 -7.369 1.00 0.00 O ATOM 770 CB TYR A 50 6.978 -6.488 -6.931 1.00 0.00 C ATOM 771 CG TYR A 50 6.251 -7.586 -6.187 1.00 0.00 C ATOM 772 CD1 TYR A 50 6.952 -8.597 -5.542 1.00 0.00 C ATOM 773 CD2 TYR A 50 4.863 -7.611 -6.129 1.00 0.00 C ATOM 774 CE1 TYR A 50 6.293 -9.602 -4.862 1.00 0.00 C ATOM 775 CE2 TYR A 50 4.195 -8.612 -5.450 1.00 0.00 C ATOM 776 CZ TYR A 50 4.914 -9.605 -4.818 1.00 0.00 C ATOM 777 OH TYR A 50 4.253 -10.604 -4.141 1.00 0.00 O ATOM 0 H TYR A 50 6.117 -4.090 -5.377 1.00 0.00 H new ATOM 0 HA TYR A 50 8.406 -5.886 -5.442 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.282 -6.001 -7.614 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.764 -6.933 -7.541 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.032 -8.597 -5.573 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.297 -6.835 -6.623 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.854 -10.381 -4.367 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.116 -8.617 -5.414 1.00 0.00 H new ATOM 0 HH TYR A 50 4.681 -11.465 -4.330 1.00 0.00 H new ATOM 787 N LYS A 51 9.498 -4.273 -6.971 1.00 0.00 N ATOM 788 CA LYS A 51 10.179 -3.240 -7.743 1.00 0.00 C ATOM 789 C LYS A 51 9.858 -3.371 -9.229 1.00 0.00 C ATOM 790 O LYS A 51 9.996 -2.413 -9.990 1.00 0.00 O ATOM 791 CB LYS A 51 11.692 -3.327 -7.528 1.00 0.00 C ATOM 792 CG LYS A 51 12.201 -4.747 -7.352 1.00 0.00 C ATOM 793 CD LYS A 51 13.649 -4.879 -7.791 1.00 0.00 C ATOM 794 CE LYS A 51 14.255 -6.194 -7.326 1.00 0.00 C ATOM 795 NZ LYS A 51 14.771 -6.104 -5.931 1.00 0.00 N ATOM 0 H LYS A 51 10.120 -4.960 -6.546 1.00 0.00 H new ATOM 0 HA LYS A 51 9.824 -2.269 -7.396 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.198 -2.872 -8.379 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.960 -2.742 -6.648 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.109 -5.040 -6.306 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.581 -5.431 -7.931 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.708 -4.814 -8.877 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.229 -4.048 -7.390 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.504 -6.981 -7.385 1.00 0.00 H new ATOM 0 HE3 LYS A 51 15.067 -6.477 -7.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 15.176 -7.020 -5.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.506 -5.370 -5.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.991 -5.859 -5.288 1.00 0.00 H new ATOM 809 N ASP A 52 9.430 -4.561 -9.634 1.00 0.00 N ATOM 810 CA ASP A 52 9.087 -4.817 -11.028 1.00 0.00 C ATOM 811 C ASP A 52 7.911 -5.783 -11.131 1.00 0.00 C ATOM 812 O ASP A 52 7.574 -6.472 -10.167 1.00 0.00 O ATOM 813 CB ASP A 52 10.295 -5.382 -11.777 1.00 0.00 C ATOM 814 CG ASP A 52 10.995 -6.480 -11.002 1.00 0.00 C ATOM 815 OD1 ASP A 52 10.354 -7.518 -10.733 1.00 0.00 O ATOM 816 OD2 ASP A 52 12.184 -6.302 -10.662 1.00 0.00 O ATOM 0 H ASP A 52 9.312 -5.364 -9.017 1.00 0.00 H new ATOM 0 HA ASP A 52 8.796 -3.871 -11.484 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.971 -5.772 -12.742 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.002 -4.577 -11.980 1.00 0.00 H new ATOM 821 N LYS A 53 7.290 -5.829 -12.304 1.00 0.00 N ATOM 822 CA LYS A 53 6.151 -6.710 -12.534 1.00 0.00 C ATOM 823 C LYS A 53 6.576 -7.958 -13.301 1.00 0.00 C ATOM 824 O LYS A 53 5.806 -8.504 -14.091 1.00 0.00 O ATOM 825 CB LYS A 53 5.056 -5.972 -13.306 1.00 0.00 C ATOM 826 CG LYS A 53 3.658 -6.497 -13.031 1.00 0.00 C ATOM 827 CD LYS A 53 2.628 -5.844 -13.938 1.00 0.00 C ATOM 828 CE LYS A 53 1.359 -6.678 -14.031 1.00 0.00 C ATOM 829 NZ LYS A 53 0.521 -6.283 -15.196 1.00 0.00 N ATOM 0 H LYS A 53 7.556 -5.266 -13.112 1.00 0.00 H new ATOM 0 HA LYS A 53 5.759 -7.016 -11.564 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.094 -4.913 -13.051 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.261 -6.050 -14.374 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.639 -7.577 -13.176 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.397 -6.311 -11.989 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.385 -4.851 -13.559 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.051 -5.711 -14.934 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.623 -7.732 -14.114 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.782 -6.565 -13.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.334 -6.874 -15.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.248 -5.284 -15.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.063 -6.415 -16.074 1.00 0.00 H new ATOM 843 N ARG A 54 7.805 -8.405 -13.062 1.00 0.00 N ATOM 844 CA ARG A 54 8.331 -9.589 -13.731 1.00 0.00 C ATOM 845 C ARG A 54 7.600 -10.845 -13.266 1.00 0.00 C ATOM 846 O ARG A 54 7.162 -11.656 -14.081 1.00 0.00 O ATOM 847 CB ARG A 54 9.830 -9.729 -13.461 1.00 0.00 C ATOM 848 CG ARG A 54 10.417 -11.043 -13.950 1.00 0.00 C ATOM 849 CD ARG A 54 11.936 -10.999 -13.978 1.00 0.00 C ATOM 850 NE ARG A 54 12.517 -11.268 -12.665 1.00 0.00 N ATOM 851 CZ ARG A 54 13.808 -11.506 -12.467 1.00 0.00 C ATOM 852 NH1 ARG A 54 14.650 -11.507 -13.492 1.00 0.00 N ATOM 853 NH2 ARG A 54 14.261 -11.742 -11.243 1.00 0.00 N ATOM 0 H ARG A 54 8.455 -7.965 -12.410 1.00 0.00 H new ATOM 0 HA ARG A 54 8.171 -9.472 -14.803 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.356 -8.904 -13.942 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.008 -9.638 -12.389 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.087 -11.854 -13.300 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.040 -11.262 -14.949 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.306 -11.732 -14.695 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.264 -10.019 -14.325 1.00 0.00 H new ATOM 0 HE ARG A 54 11.896 -11.273 -11.855 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.306 -11.325 -14.435 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.641 -11.690 -13.337 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.617 -11.741 -10.452 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.253 -11.925 -11.093 1.00 0.00 H new ATOM 867 N GLU A 55 7.474 -10.999 -11.952 1.00 0.00 N ATOM 868 CA GLU A 55 6.798 -12.157 -11.380 1.00 0.00 C ATOM 869 C GLU A 55 6.122 -11.796 -10.060 1.00 0.00 C ATOM 870 O GLU A 55 6.727 -11.163 -9.195 1.00 0.00 O ATOM 871 CB GLU A 55 7.793 -13.299 -11.160 1.00 0.00 C ATOM 872 CG GLU A 55 8.014 -14.159 -12.393 1.00 0.00 C ATOM 873 CD GLU A 55 9.271 -15.002 -12.299 1.00 0.00 C ATOM 874 OE1 GLU A 55 9.477 -15.645 -11.249 1.00 0.00 O ATOM 875 OE2 GLU A 55 10.049 -15.018 -13.276 1.00 0.00 O ATOM 0 H GLU A 55 7.831 -10.336 -11.264 1.00 0.00 H new ATOM 0 HA GLU A 55 6.032 -12.482 -12.084 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.748 -12.881 -10.843 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.435 -13.930 -10.347 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.153 -14.812 -12.535 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.076 -13.518 -13.272 1.00 0.00 H new ATOM 882 N GLN A 56 4.865 -12.203 -9.915 1.00 0.00 N ATOM 883 CA GLN A 56 4.107 -11.921 -8.702 1.00 0.00 C ATOM 884 C GLN A 56 4.033 -13.154 -7.808 1.00 0.00 C ATOM 885 O GLN A 56 4.201 -13.064 -6.591 1.00 0.00 O ATOM 886 CB GLN A 56 2.696 -11.447 -9.056 1.00 0.00 C ATOM 887 CG GLN A 56 2.604 -9.953 -9.318 1.00 0.00 C ATOM 888 CD GLN A 56 3.143 -9.565 -10.680 1.00 0.00 C ATOM 889 OE1 GLN A 56 4.353 -9.436 -10.869 1.00 0.00 O ATOM 890 NE2 GLN A 56 2.245 -9.377 -11.641 1.00 0.00 N ATOM 0 H GLN A 56 4.351 -12.729 -10.622 1.00 0.00 H new ATOM 0 HA GLN A 56 4.622 -11.130 -8.157 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.352 -11.984 -9.940 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.019 -11.707 -8.242 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.563 -9.638 -9.240 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.158 -9.418 -8.547 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.252 -9.494 -11.441 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.549 -9.115 -12.579 1.00 0.00 H new ATOM 899 N THR A 57 3.779 -14.308 -8.418 1.00 0.00 N ATOM 900 CA THR A 57 3.681 -15.559 -7.677 1.00 0.00 C ATOM 901 C THR A 57 4.648 -15.578 -6.499 1.00 0.00 C ATOM 902 O THR A 57 4.291 -15.991 -5.395 1.00 0.00 O ATOM 903 CB THR A 57 3.968 -16.772 -8.583 1.00 0.00 C ATOM 904 OG1 THR A 57 5.275 -16.655 -9.157 1.00 0.00 O ATOM 905 CG2 THR A 57 2.930 -16.879 -9.689 1.00 0.00 C ATOM 0 H THR A 57 3.637 -14.402 -9.424 1.00 0.00 H new ATOM 0 HA THR A 57 2.659 -15.627 -7.305 1.00 0.00 H new ATOM 0 HB THR A 57 3.919 -17.674 -7.973 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.451 -17.430 -9.730 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.154 -17.743 -10.315 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.940 -16.997 -9.249 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.951 -15.974 -10.297 1.00 0.00 H new ATOM 913 N THR A 58 5.876 -15.128 -6.740 1.00 0.00 N ATOM 914 CA THR A 58 6.895 -15.093 -5.699 1.00 0.00 C ATOM 915 C THR A 58 6.702 -13.893 -4.780 1.00 0.00 C ATOM 916 O THR A 58 6.165 -12.858 -5.175 1.00 0.00 O ATOM 917 CB THR A 58 8.312 -15.041 -6.302 1.00 0.00 C ATOM 918 OG1 THR A 58 8.447 -13.886 -7.136 1.00 0.00 O ATOM 919 CG2 THR A 58 8.602 -16.295 -7.112 1.00 0.00 C ATOM 0 H THR A 58 6.188 -14.783 -7.648 1.00 0.00 H new ATOM 0 HA THR A 58 6.787 -16.011 -5.121 1.00 0.00 H new ATOM 0 HB THR A 58 9.029 -14.983 -5.483 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.351 -13.859 -7.514 1.00 0.00 H new ATOM 0 HG21 THR A 58 9.608 -16.235 -7.528 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.527 -17.170 -6.467 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.879 -16.380 -7.923 1.00 0.00 H new ATOM 927 N PRO A 59 7.149 -14.031 -3.523 1.00 0.00 N ATOM 928 CA PRO A 59 7.037 -12.967 -2.521 1.00 0.00 C ATOM 929 C PRO A 59 7.956 -11.788 -2.822 1.00 0.00 C ATOM 930 O PRO A 59 8.685 -11.795 -3.815 1.00 0.00 O ATOM 931 CB PRO A 59 7.460 -13.657 -1.222 1.00 0.00 C ATOM 932 CG PRO A 59 8.340 -14.778 -1.657 1.00 0.00 C ATOM 933 CD PRO A 59 7.799 -15.237 -2.983 1.00 0.00 C ATOM 0 HA PRO A 59 6.033 -12.543 -2.487 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.991 -12.970 -0.563 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.595 -14.024 -0.669 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.375 -14.448 -1.750 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.328 -15.589 -0.929 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.593 -15.593 -3.639 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.090 -16.057 -2.866 1.00 0.00 H new ATOM 941 N SER A 60 7.918 -10.778 -1.960 1.00 0.00 N ATOM 942 CA SER A 60 8.746 -9.590 -2.136 1.00 0.00 C ATOM 943 C SER A 60 10.207 -9.973 -2.345 1.00 0.00 C ATOM 944 O SER A 60 10.583 -11.135 -2.193 1.00 0.00 O ATOM 945 CB SER A 60 8.617 -8.668 -0.922 1.00 0.00 C ATOM 946 OG SER A 60 8.776 -9.391 0.287 1.00 0.00 O ATOM 0 H SER A 60 7.323 -10.758 -1.132 1.00 0.00 H new ATOM 0 HA SER A 60 8.396 -9.062 -3.023 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.367 -7.879 -0.979 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.642 -8.182 -0.933 1.00 0.00 H new ATOM 0 HG SER A 60 8.980 -8.769 1.016 1.00 0.00 H new ATOM 952 N GLU A 61 11.027 -8.986 -2.695 1.00 0.00 N ATOM 953 CA GLU A 61 12.447 -9.220 -2.927 1.00 0.00 C ATOM 954 C GLU A 61 13.282 -8.694 -1.763 1.00 0.00 C ATOM 955 O GLU A 61 14.059 -9.433 -1.159 1.00 0.00 O ATOM 956 CB GLU A 61 12.891 -8.552 -4.230 1.00 0.00 C ATOM 957 CG GLU A 61 12.419 -9.278 -5.478 1.00 0.00 C ATOM 958 CD GLU A 61 13.193 -10.557 -5.736 1.00 0.00 C ATOM 959 OE1 GLU A 61 14.382 -10.617 -5.358 1.00 0.00 O ATOM 960 OE2 GLU A 61 12.611 -11.497 -6.316 1.00 0.00 O ATOM 0 H GLU A 61 10.732 -8.018 -2.824 1.00 0.00 H new ATOM 0 HA GLU A 61 12.603 -10.296 -3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 61 12.515 -7.529 -4.251 1.00 0.00 H new ATOM 0 HB3 GLU A 61 13.979 -8.491 -4.245 1.00 0.00 H new ATOM 0 HG2 GLU A 61 11.359 -9.513 -5.379 1.00 0.00 H new ATOM 0 HG3 GLU A 61 12.520 -8.617 -6.339 1.00 0.00 H new ATOM 967 N GLU A 62 13.115 -7.411 -1.454 1.00 0.00 N ATOM 968 CA GLU A 62 13.854 -6.786 -0.364 1.00 0.00 C ATOM 969 C GLU A 62 12.900 -6.183 0.664 1.00 0.00 C ATOM 970 O GLU A 62 13.187 -6.174 1.860 1.00 0.00 O ATOM 971 CB GLU A 62 14.788 -5.703 -0.906 1.00 0.00 C ATOM 972 CG GLU A 62 15.787 -6.217 -1.929 1.00 0.00 C ATOM 973 CD GLU A 62 16.668 -5.117 -2.489 1.00 0.00 C ATOM 974 OE1 GLU A 62 16.119 -4.124 -3.009 1.00 0.00 O ATOM 975 OE2 GLU A 62 17.907 -5.249 -2.405 1.00 0.00 O ATOM 0 H GLU A 62 12.475 -6.785 -1.943 1.00 0.00 H new ATOM 0 HA GLU A 62 14.449 -7.556 0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.190 -4.913 -1.360 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.331 -5.254 -0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 62 16.414 -6.980 -1.467 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.249 -6.698 -2.746 1.00 0.00 H new ATOM 982 N GLU A 63 11.766 -5.680 0.187 1.00 0.00 N ATOM 983 CA GLU A 63 10.772 -5.073 1.064 1.00 0.00 C ATOM 984 C GLU A 63 9.872 -6.138 1.685 1.00 0.00 C ATOM 985 O GLU A 63 9.204 -6.890 0.976 1.00 0.00 O ATOM 986 CB GLU A 63 9.924 -4.063 0.288 1.00 0.00 C ATOM 987 CG GLU A 63 10.717 -2.878 -0.237 1.00 0.00 C ATOM 988 CD GLU A 63 11.309 -2.033 0.875 1.00 0.00 C ATOM 989 OE1 GLU A 63 12.308 -2.469 1.484 1.00 0.00 O ATOM 990 OE2 GLU A 63 10.772 -0.936 1.134 1.00 0.00 O ATOM 0 H GLU A 63 11.513 -5.681 -0.801 1.00 0.00 H new ATOM 0 HA GLU A 63 11.299 -4.555 1.865 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.447 -4.570 -0.551 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.127 -3.698 0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.519 -3.239 -0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.068 -2.257 -0.855 1.00 0.00 H new ATOM 997 N GLN A 64 9.863 -6.196 3.012 1.00 0.00 N ATOM 998 CA GLN A 64 9.048 -7.169 3.729 1.00 0.00 C ATOM 999 C GLN A 64 7.564 -6.841 3.594 1.00 0.00 C ATOM 1000 O GLN A 64 7.171 -5.686 3.430 1.00 0.00 O ATOM 1001 CB GLN A 64 9.441 -7.207 5.206 1.00 0.00 C ATOM 1002 CG GLN A 64 8.748 -6.148 6.048 1.00 0.00 C ATOM 1003 CD GLN A 64 9.266 -4.751 5.770 1.00 0.00 C ATOM 1004 OE1 GLN A 64 10.255 -4.573 5.059 1.00 0.00 O ATOM 1005 NE2 GLN A 64 8.599 -3.749 6.332 1.00 0.00 N ATOM 0 H GLN A 64 10.411 -5.580 3.613 1.00 0.00 H new ATOM 0 HA GLN A 64 9.227 -8.150 3.288 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.206 -8.192 5.610 1.00 0.00 H new ATOM 0 HB3 GLN A 64 10.520 -7.077 5.290 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.676 -6.179 5.854 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.888 -6.380 7.104 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.784 -3.942 6.914 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.902 -2.787 6.181 1.00 0.00 H new ATOM 1014 N PRO A 65 6.719 -7.881 3.663 1.00 0.00 N ATOM 1015 CA PRO A 65 5.266 -7.728 3.551 1.00 0.00 C ATOM 1016 C PRO A 65 4.661 -7.029 4.764 1.00 0.00 C ATOM 1017 O PRO A 65 5.138 -7.192 5.887 1.00 0.00 O ATOM 1018 CB PRO A 65 4.763 -9.171 3.459 1.00 0.00 C ATOM 1019 CG PRO A 65 5.814 -9.982 4.135 1.00 0.00 C ATOM 1020 CD PRO A 65 7.118 -9.285 3.857 1.00 0.00 C ATOM 0 HA PRO A 65 4.986 -7.110 2.698 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.797 -9.286 3.951 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.631 -9.479 2.422 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.627 -10.047 5.207 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.827 -11.002 3.751 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.817 -9.393 4.687 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.609 -9.689 2.972 1.00 0.00 H new ATOM 1028 N ILE A 66 3.609 -6.252 4.530 1.00 0.00 N ATOM 1029 CA ILE A 66 2.938 -5.531 5.604 1.00 0.00 C ATOM 1030 C ILE A 66 1.507 -6.024 5.788 1.00 0.00 C ATOM 1031 O ILE A 66 0.772 -6.204 4.818 1.00 0.00 O ATOM 1032 CB ILE A 66 2.917 -4.014 5.336 1.00 0.00 C ATOM 1033 CG1 ILE A 66 4.293 -3.538 4.866 1.00 0.00 C ATOM 1034 CG2 ILE A 66 2.487 -3.261 6.586 1.00 0.00 C ATOM 1035 CD1 ILE A 66 4.246 -2.261 4.057 1.00 0.00 C ATOM 0 H ILE A 66 3.203 -6.106 3.606 1.00 0.00 H new ATOM 0 HA ILE A 66 3.505 -5.723 6.515 1.00 0.00 H new ATOM 0 HB ILE A 66 2.194 -3.809 4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.932 -3.384 5.736 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.754 -4.322 4.266 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.477 -2.191 6.381 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.488 -3.583 6.879 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.187 -3.469 7.395 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.256 -1.983 3.757 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.634 -2.415 3.169 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.814 -1.463 4.661 1.00 0.00 H new ATOM 1047 N SER A 67 1.117 -6.238 7.041 1.00 0.00 N ATOM 1048 CA SER A 67 -0.226 -6.712 7.353 1.00 0.00 C ATOM 1049 C SER A 67 -1.216 -5.553 7.391 1.00 0.00 C ATOM 1050 O SER A 67 -0.944 -4.508 7.983 1.00 0.00 O ATOM 1051 CB SER A 67 -0.231 -7.447 8.695 1.00 0.00 C ATOM 1052 OG SER A 67 0.860 -8.346 8.789 1.00 0.00 O ATOM 0 H SER A 67 1.712 -6.091 7.856 1.00 0.00 H new ATOM 0 HA SER A 67 -0.533 -7.403 6.567 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.181 -6.724 9.509 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.167 -7.993 8.810 1.00 0.00 H new ATOM 0 HG SER A 67 0.835 -8.802 9.656 1.00 0.00 H new ATOM 1058 N VAL A 68 -2.367 -5.744 6.754 1.00 0.00 N ATOM 1059 CA VAL A 68 -3.400 -4.716 6.714 1.00 0.00 C ATOM 1060 C VAL A 68 -4.647 -5.160 7.469 1.00 0.00 C ATOM 1061 O VAL A 68 -5.619 -4.414 7.575 1.00 0.00 O ATOM 1062 CB VAL A 68 -3.787 -4.364 5.265 1.00 0.00 C ATOM 1063 CG1 VAL A 68 -2.560 -3.940 4.472 1.00 0.00 C ATOM 1064 CG2 VAL A 68 -4.481 -5.543 4.599 1.00 0.00 C ATOM 0 H VAL A 68 -2.608 -6.602 6.258 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.984 -3.831 7.195 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.483 -3.526 5.286 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.853 -3.695 3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.109 -3.065 4.940 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.837 -4.756 4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.748 -5.278 3.576 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.810 -6.402 4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.384 -5.796 5.155 1.00 0.00 H new ATOM 1074 N ASN A 69 -4.612 -6.382 7.991 1.00 0.00 N ATOM 1075 CA ASN A 69 -5.741 -6.927 8.737 1.00 0.00 C ATOM 1076 C ASN A 69 -6.332 -5.878 9.674 1.00 0.00 C ATOM 1077 O ASN A 69 -7.548 -5.791 9.836 1.00 0.00 O ATOM 1078 CB ASN A 69 -5.304 -8.155 9.539 1.00 0.00 C ATOM 1079 CG ASN A 69 -6.480 -8.910 10.127 1.00 0.00 C ATOM 1080 OD1 ASN A 69 -7.282 -9.496 9.399 1.00 0.00 O ATOM 1081 ND2 ASN A 69 -6.589 -8.898 11.450 1.00 0.00 N ATOM 0 H ASN A 69 -3.815 -7.013 7.911 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.508 -7.222 8.021 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.733 -8.823 8.894 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.638 -7.842 10.343 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -7.361 -9.388 11.903 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.901 -8.399 12.014 1.00 0.00 H new ATOM 1088 N ALA A 70 -5.461 -5.083 10.287 1.00 0.00 N ATOM 1089 CA ALA A 70 -5.896 -4.038 11.206 1.00 0.00 C ATOM 1090 C ALA A 70 -5.201 -2.716 10.902 1.00 0.00 C ATOM 1091 O ALA A 70 -4.488 -2.170 11.745 1.00 0.00 O ATOM 1092 CB ALA A 70 -5.633 -4.457 12.645 1.00 0.00 C ATOM 0 H ALA A 70 -4.450 -5.143 10.164 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.968 -3.894 11.072 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.963 -3.667 13.320 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.182 -5.373 12.863 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.566 -4.631 12.784 1.00 0.00 H new ATOM 1098 N CYS A 71 -5.412 -2.206 9.694 1.00 0.00 N ATOM 1099 CA CYS A 71 -4.803 -0.947 9.278 1.00 0.00 C ATOM 1100 C CYS A 71 -5.819 0.190 9.326 1.00 0.00 C ATOM 1101 O CYS A 71 -6.996 -0.027 9.617 1.00 0.00 O ATOM 1102 CB CYS A 71 -4.230 -1.075 7.866 1.00 0.00 C ATOM 1103 SG CYS A 71 -5.458 -0.893 6.551 1.00 0.00 S ATOM 0 H CYS A 71 -6.000 -2.644 8.985 1.00 0.00 H new ATOM 0 HA CYS A 71 -3.994 -0.717 9.971 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.454 -0.321 7.731 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -3.749 -2.048 7.767 1.00 0.00 H new ATOM 0 HG CYS A 71 -4.926 -1.222 5.412 1.00 0.00 H new ATOM 1109 N LEU A 72 -5.356 1.402 9.042 1.00 0.00 N ATOM 1110 CA LEU A 72 -6.223 2.575 9.055 1.00 0.00 C ATOM 1111 C LEU A 72 -5.933 3.480 7.862 1.00 0.00 C ATOM 1112 O LEU A 72 -4.921 4.182 7.835 1.00 0.00 O ATOM 1113 CB LEU A 72 -6.040 3.355 10.358 1.00 0.00 C ATOM 1114 CG LEU A 72 -6.653 2.725 11.609 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.671 1.760 12.256 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -7.075 3.802 12.597 1.00 0.00 C ATOM 0 H LEU A 72 -4.385 1.598 8.800 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.256 2.233 8.986 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.972 3.491 10.530 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.471 4.348 10.227 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.540 2.165 11.313 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.124 1.321 13.145 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.419 0.969 11.549 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.765 2.297 12.538 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.509 3.335 13.481 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.205 4.390 12.888 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.814 4.454 12.131 1.00 0.00 H new ATOM 1128 N ILE A 73 -6.826 3.460 6.879 1.00 0.00 N ATOM 1129 CA ILE A 73 -6.667 4.281 5.685 1.00 0.00 C ATOM 1130 C ILE A 73 -7.368 5.626 5.846 1.00 0.00 C ATOM 1131 O ILE A 73 -8.424 5.716 6.472 1.00 0.00 O ATOM 1132 CB ILE A 73 -7.222 3.572 4.436 1.00 0.00 C ATOM 1133 CG1 ILE A 73 -6.282 2.445 4.003 1.00 0.00 C ATOM 1134 CG2 ILE A 73 -7.419 4.570 3.304 1.00 0.00 C ATOM 1135 CD1 ILE A 73 -6.947 1.408 3.125 1.00 0.00 C ATOM 0 H ILE A 73 -7.668 2.884 6.886 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.597 4.444 5.554 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.190 3.137 4.683 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.436 2.874 3.467 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.882 1.955 4.891 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.812 4.054 2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.123 5.341 3.617 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.463 5.031 3.055 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.222 0.640 2.856 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.776 0.951 3.665 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.323 1.885 2.220 1.00 0.00 H new ATOM 1147 N ASP A 74 -6.774 6.668 5.275 1.00 0.00 N ATOM 1148 CA ASP A 74 -7.342 8.009 5.352 1.00 0.00 C ATOM 1149 C ASP A 74 -6.757 8.910 4.269 1.00 0.00 C ATOM 1150 O ASP A 74 -5.554 9.170 4.248 1.00 0.00 O ATOM 1151 CB ASP A 74 -7.085 8.616 6.732 1.00 0.00 C ATOM 1152 CG ASP A 74 -7.789 7.857 7.839 1.00 0.00 C ATOM 1153 OD1 ASP A 74 -8.985 8.126 8.075 1.00 0.00 O ATOM 1154 OD2 ASP A 74 -7.144 6.993 8.470 1.00 0.00 O ATOM 0 H ASP A 74 -5.899 6.610 4.754 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.417 7.931 5.192 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.013 8.626 6.927 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.419 9.653 6.737 1.00 0.00 H new ATOM 1159 N ILE A 75 -7.616 9.382 3.372 1.00 0.00 N ATOM 1160 CA ILE A 75 -7.184 10.254 2.287 1.00 0.00 C ATOM 1161 C ILE A 75 -6.101 11.220 2.755 1.00 0.00 C ATOM 1162 O ILE A 75 -6.396 12.275 3.317 1.00 0.00 O ATOM 1163 CB ILE A 75 -8.362 11.062 1.710 1.00 0.00 C ATOM 1164 CG1 ILE A 75 -9.447 10.119 1.186 1.00 0.00 C ATOM 1165 CG2 ILE A 75 -7.878 11.988 0.605 1.00 0.00 C ATOM 1166 CD1 ILE A 75 -10.671 10.838 0.665 1.00 0.00 C ATOM 0 H ILE A 75 -8.615 9.175 3.375 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.780 9.609 1.507 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.790 11.671 2.506 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.029 9.505 0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.746 9.442 1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.722 12.552 0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.137 12.679 1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.428 11.398 -0.193 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.398 10.108 0.310 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -11.113 11.431 1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.385 11.494 -0.157 1.00 0.00 H new ATOM 1178 N SER A 76 -4.845 10.852 2.519 1.00 0.00 N ATOM 1179 CA SER A 76 -3.717 11.685 2.918 1.00 0.00 C ATOM 1180 C SER A 76 -4.061 13.166 2.787 1.00 0.00 C ATOM 1181 O SER A 76 -4.862 13.556 1.937 1.00 0.00 O ATOM 1182 CB SER A 76 -2.488 11.358 2.067 1.00 0.00 C ATOM 1183 OG SER A 76 -1.382 12.162 2.440 1.00 0.00 O ATOM 0 H SER A 76 -4.584 9.983 2.054 1.00 0.00 H new ATOM 0 HA SER A 76 -3.493 11.473 3.964 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.232 10.305 2.182 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.718 11.517 1.013 1.00 0.00 H new ATOM 0 HG SER A 76 -0.609 11.933 1.883 1.00 0.00 H new ATOM 1189 N TYR A 77 -3.451 13.986 3.636 1.00 0.00 N ATOM 1190 CA TYR A 77 -3.694 15.423 3.618 1.00 0.00 C ATOM 1191 C TYR A 77 -3.659 15.964 2.192 1.00 0.00 C ATOM 1192 O TYR A 77 -3.008 15.395 1.316 1.00 0.00 O ATOM 1193 CB TYR A 77 -2.655 16.148 4.475 1.00 0.00 C ATOM 1194 CG TYR A 77 -1.239 15.670 4.243 1.00 0.00 C ATOM 1195 CD1 TYR A 77 -0.731 14.578 4.936 1.00 0.00 C ATOM 1196 CD2 TYR A 77 -0.409 16.312 3.332 1.00 0.00 C ATOM 1197 CE1 TYR A 77 0.562 14.139 4.727 1.00 0.00 C ATOM 1198 CE2 TYR A 77 0.885 15.879 3.116 1.00 0.00 C ATOM 1199 CZ TYR A 77 1.366 14.792 3.816 1.00 0.00 C ATOM 1200 OH TYR A 77 2.655 14.358 3.606 1.00 0.00 O ATOM 0 H TYR A 77 -2.785 13.680 4.345 1.00 0.00 H new ATOM 0 HA TYR A 77 -4.686 15.603 4.032 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.707 17.217 4.268 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.907 16.014 5.527 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.357 14.064 5.650 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -0.782 17.164 2.783 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.942 13.289 5.274 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.516 16.389 2.403 1.00 0.00 H new ATOM 0 HH TYR A 77 3.086 14.925 2.933 1.00 0.00 H new ATOM 1210 N SER A 78 -4.366 17.067 1.967 1.00 0.00 N ATOM 1211 CA SER A 78 -4.420 17.684 0.647 1.00 0.00 C ATOM 1212 C SER A 78 -3.381 18.795 0.523 1.00 0.00 C ATOM 1213 O SER A 78 -3.670 19.875 0.011 1.00 0.00 O ATOM 1214 CB SER A 78 -5.817 18.246 0.380 1.00 0.00 C ATOM 1215 OG SER A 78 -6.813 17.262 0.599 1.00 0.00 O ATOM 0 H SER A 78 -4.909 17.551 2.682 1.00 0.00 H new ATOM 0 HA SER A 78 -4.197 16.917 -0.094 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.998 19.102 1.030 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.877 18.607 -0.647 1.00 0.00 H new ATOM 0 HG SER A 78 -7.697 17.647 0.423 1.00 0.00 H new ATOM 1221 N GLU A 79 -2.170 18.519 0.998 1.00 0.00 N ATOM 1222 CA GLU A 79 -1.088 19.495 0.942 1.00 0.00 C ATOM 1223 C GLU A 79 0.022 19.024 0.006 1.00 0.00 C ATOM 1224 O GLU A 79 0.699 19.832 -0.631 1.00 0.00 O ATOM 1225 CB GLU A 79 -0.520 19.741 2.341 1.00 0.00 C ATOM 1226 CG GLU A 79 0.252 21.044 2.464 1.00 0.00 C ATOM 1227 CD GLU A 79 1.634 20.964 1.846 1.00 0.00 C ATOM 1228 OE1 GLU A 79 2.301 19.922 2.015 1.00 0.00 O ATOM 1229 OE2 GLU A 79 2.049 21.945 1.193 1.00 0.00 O ATOM 0 H GLU A 79 -1.914 17.629 1.425 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.495 20.429 0.554 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.338 19.744 3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.136 18.913 2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.312 21.843 1.982 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.344 21.309 3.517 1.00 0.00 H new ATOM 1236 N THR A 80 0.204 17.709 -0.072 1.00 0.00 N ATOM 1237 CA THR A 80 1.231 17.129 -0.928 1.00 0.00 C ATOM 1238 C THR A 80 0.868 17.277 -2.401 1.00 0.00 C ATOM 1239 O THR A 80 -0.218 16.884 -2.826 1.00 0.00 O ATOM 1240 CB THR A 80 1.449 15.638 -0.612 1.00 0.00 C ATOM 1241 OG1 THR A 80 2.500 15.112 -1.431 1.00 0.00 O ATOM 1242 CG2 THR A 80 0.173 14.843 -0.843 1.00 0.00 C ATOM 0 H THR A 80 -0.347 17.026 0.448 1.00 0.00 H new ATOM 0 HA THR A 80 2.154 17.674 -0.728 1.00 0.00 H new ATOM 0 HB THR A 80 1.728 15.549 0.438 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.634 14.164 -1.223 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.352 13.793 -0.613 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.617 15.226 -0.197 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.132 14.939 -1.885 1.00 0.00 H new ATOM 1250 N LYS A 81 1.785 17.845 -3.177 1.00 0.00 N ATOM 1251 CA LYS A 81 1.563 18.044 -4.604 1.00 0.00 C ATOM 1252 C LYS A 81 0.917 16.812 -5.231 1.00 0.00 C ATOM 1253 O LYS A 81 0.256 16.905 -6.265 1.00 0.00 O ATOM 1254 CB LYS A 81 2.886 18.354 -5.309 1.00 0.00 C ATOM 1255 CG LYS A 81 3.927 17.259 -5.156 1.00 0.00 C ATOM 1256 CD LYS A 81 5.218 17.613 -5.875 1.00 0.00 C ATOM 1257 CE LYS A 81 5.082 17.445 -7.380 1.00 0.00 C ATOM 1258 NZ LYS A 81 6.178 18.134 -8.116 1.00 0.00 N ATOM 0 H LYS A 81 2.690 18.176 -2.841 1.00 0.00 H new ATOM 0 HA LYS A 81 0.886 18.890 -4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.694 18.516 -6.370 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.290 19.286 -4.913 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.132 17.096 -4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.533 16.323 -5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.492 18.643 -5.646 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.025 16.979 -5.509 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.088 16.384 -7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.120 17.843 -7.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.050 17.996 -9.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.157 19.151 -7.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.094 17.737 -7.825 1.00 0.00 H new ATOM 1272 N ARG A 82 1.113 15.660 -4.598 1.00 0.00 N ATOM 1273 CA ARG A 82 0.549 14.410 -5.093 1.00 0.00 C ATOM 1274 C ARG A 82 -0.959 14.367 -4.866 1.00 0.00 C ATOM 1275 O ARG A 82 -1.432 14.485 -3.736 1.00 0.00 O ATOM 1276 CB ARG A 82 1.214 13.217 -4.404 1.00 0.00 C ATOM 1277 CG ARG A 82 2.669 13.020 -4.798 1.00 0.00 C ATOM 1278 CD ARG A 82 3.439 12.266 -3.725 1.00 0.00 C ATOM 1279 NE ARG A 82 4.560 11.515 -4.282 1.00 0.00 N ATOM 1280 CZ ARG A 82 5.694 12.077 -4.685 1.00 0.00 C ATOM 1281 NH1 ARG A 82 5.856 13.390 -4.592 1.00 0.00 N ATOM 1282 NH2 ARG A 82 6.669 11.326 -5.181 1.00 0.00 N ATOM 0 H ARG A 82 1.658 15.566 -3.741 1.00 0.00 H new ATOM 0 HA ARG A 82 0.740 14.354 -6.165 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.154 13.352 -3.324 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.656 12.312 -4.644 1.00 0.00 H new ATOM 0 HG2 ARG A 82 2.721 12.471 -5.738 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.136 13.990 -4.968 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.809 12.971 -2.981 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.765 11.582 -3.208 1.00 0.00 H new ATOM 0 HE ARG A 82 4.467 10.503 -4.366 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.109 13.970 -4.210 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.728 13.820 -4.902 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.548 10.316 -5.253 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.539 11.759 -5.490 1.00 0.00 H new ATOM 1296 N LYS A 83 -1.711 14.196 -5.949 1.00 0.00 N ATOM 1297 CA LYS A 83 -3.165 14.136 -5.870 1.00 0.00 C ATOM 1298 C LYS A 83 -3.654 12.692 -5.929 1.00 0.00 C ATOM 1299 O LYS A 83 -3.007 11.832 -6.526 1.00 0.00 O ATOM 1300 CB LYS A 83 -3.793 14.944 -7.008 1.00 0.00 C ATOM 1301 CG LYS A 83 -3.418 16.416 -6.986 1.00 0.00 C ATOM 1302 CD LYS A 83 -2.119 16.672 -7.732 1.00 0.00 C ATOM 1303 CE LYS A 83 -2.328 16.654 -9.238 1.00 0.00 C ATOM 1304 NZ LYS A 83 -3.051 17.867 -9.713 1.00 0.00 N ATOM 0 H LYS A 83 -1.336 14.097 -6.892 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.469 14.566 -4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.486 14.513 -7.961 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.878 14.853 -6.952 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.219 17.003 -7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.318 16.751 -5.954 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.710 17.637 -7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.385 15.915 -7.456 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.362 16.588 -9.738 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.892 15.763 -9.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.982 17.929 -10.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.051 17.806 -9.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.625 18.714 -9.287 1.00 0.00 H new ATOM 1318 N ASN A 84 -4.800 12.434 -5.307 1.00 0.00 N ATOM 1319 CA ASN A 84 -5.375 11.094 -5.289 1.00 0.00 C ATOM 1320 C ASN A 84 -4.493 10.133 -4.499 1.00 0.00 C ATOM 1321 O ASN A 84 -4.309 8.980 -4.888 1.00 0.00 O ATOM 1322 CB ASN A 84 -5.560 10.577 -6.718 1.00 0.00 C ATOM 1323 CG ASN A 84 -6.274 11.577 -7.607 1.00 0.00 C ATOM 1324 OD1 ASN A 84 -7.375 12.029 -7.291 1.00 0.00 O ATOM 1325 ND2 ASN A 84 -5.649 11.927 -8.725 1.00 0.00 N ATOM 0 H ASN A 84 -5.349 13.135 -4.809 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.348 11.150 -4.800 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.585 10.345 -7.147 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.127 9.646 -6.694 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.081 12.596 -9.362 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -4.737 11.527 -8.946 1.00 0.00 H new ATOM 1332 N VAL A 85 -3.949 10.617 -3.386 1.00 0.00 N ATOM 1333 CA VAL A 85 -3.087 9.801 -2.540 1.00 0.00 C ATOM 1334 C VAL A 85 -3.765 9.479 -1.213 1.00 0.00 C ATOM 1335 O VAL A 85 -4.287 10.367 -0.538 1.00 0.00 O ATOM 1336 CB VAL A 85 -1.746 10.505 -2.260 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -1.976 11.833 -1.556 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -0.834 9.607 -1.438 1.00 0.00 C ATOM 0 H VAL A 85 -4.090 11.570 -3.050 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.897 8.875 -3.082 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.256 10.707 -3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.017 12.315 -1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.588 12.478 -2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.488 11.659 -0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.109 10.121 -1.250 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.315 9.371 -0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.642 8.685 -1.986 1.00 0.00 H new ATOM 1348 N PHE A 86 -3.754 8.203 -0.843 1.00 0.00 N ATOM 1349 CA PHE A 86 -4.369 7.762 0.403 1.00 0.00 C ATOM 1350 C PHE A 86 -3.307 7.337 1.413 1.00 0.00 C ATOM 1351 O PHE A 86 -2.312 6.707 1.055 1.00 0.00 O ATOM 1352 CB PHE A 86 -5.333 6.603 0.140 1.00 0.00 C ATOM 1353 CG PHE A 86 -4.775 5.559 -0.784 1.00 0.00 C ATOM 1354 CD1 PHE A 86 -4.631 5.819 -2.138 1.00 0.00 C ATOM 1355 CD2 PHE A 86 -4.397 4.317 -0.300 1.00 0.00 C ATOM 1356 CE1 PHE A 86 -4.118 4.860 -2.991 1.00 0.00 C ATOM 1357 CE2 PHE A 86 -3.883 3.355 -1.149 1.00 0.00 C ATOM 1358 CZ PHE A 86 -3.745 3.626 -2.496 1.00 0.00 C ATOM 0 H PHE A 86 -3.325 7.456 -1.389 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.927 8.601 0.820 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.594 6.135 1.089 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.256 6.998 -0.285 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.923 6.782 -2.531 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.505 4.098 0.752 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.009 5.076 -4.044 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.589 2.392 -0.759 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.346 2.874 -3.161 1.00 0.00 H new ATOM 1368 N ARG A 87 -3.527 7.685 2.677 1.00 0.00 N ATOM 1369 CA ARG A 87 -2.589 7.342 3.738 1.00 0.00 C ATOM 1370 C ARG A 87 -3.048 6.094 4.487 1.00 0.00 C ATOM 1371 O ARG A 87 -4.176 6.032 4.979 1.00 0.00 O ATOM 1372 CB ARG A 87 -2.441 8.510 4.715 1.00 0.00 C ATOM 1373 CG ARG A 87 -1.238 8.385 5.636 1.00 0.00 C ATOM 1374 CD ARG A 87 -0.873 9.723 6.260 1.00 0.00 C ATOM 1375 NE ARG A 87 -2.036 10.394 6.834 1.00 0.00 N ATOM 1376 CZ ARG A 87 -2.518 10.125 8.043 1.00 0.00 C ATOM 1377 NH1 ARG A 87 -1.939 9.204 8.801 1.00 0.00 N ATOM 1378 NH2 ARG A 87 -3.580 10.779 8.495 1.00 0.00 N ATOM 0 H ARG A 87 -4.347 8.204 2.991 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.622 7.135 3.280 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.360 9.438 4.149 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.345 8.584 5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.454 7.662 6.423 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.387 8.000 5.074 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.124 9.569 7.036 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.421 10.365 5.504 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.504 11.108 6.276 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.122 8.700 8.457 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.311 8.999 9.729 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.027 11.489 7.915 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.950 10.572 9.423 1.00 0.00 H new ATOM 1392 N LEU A 88 -2.168 5.102 4.568 1.00 0.00 N ATOM 1393 CA LEU A 88 -2.483 3.855 5.256 1.00 0.00 C ATOM 1394 C LEU A 88 -1.542 3.631 6.436 1.00 0.00 C ATOM 1395 O LEU A 88 -0.324 3.755 6.306 1.00 0.00 O ATOM 1396 CB LEU A 88 -2.390 2.676 4.285 1.00 0.00 C ATOM 1397 CG LEU A 88 -2.353 1.285 4.919 1.00 0.00 C ATOM 1398 CD1 LEU A 88 -2.983 0.258 3.990 1.00 0.00 C ATOM 1399 CD2 LEU A 88 -0.923 0.892 5.260 1.00 0.00 C ATOM 0 H LEU A 88 -1.231 5.137 4.166 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.502 3.926 5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.242 2.722 3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.493 2.801 3.678 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.931 1.312 5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.948 -0.726 4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.020 0.531 3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.433 0.232 3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.916 -0.101 5.710 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.322 0.882 4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.506 1.612 5.963 1.00 0.00 H new ATOM 1411 N THR A 89 -2.116 3.299 7.588 1.00 0.00 N ATOM 1412 CA THR A 89 -1.329 3.057 8.791 1.00 0.00 C ATOM 1413 C THR A 89 -1.619 1.676 9.369 1.00 0.00 C ATOM 1414 O THR A 89 -2.710 1.421 9.879 1.00 0.00 O ATOM 1415 CB THR A 89 -1.610 4.121 9.869 1.00 0.00 C ATOM 1416 OG1 THR A 89 -1.344 5.428 9.348 1.00 0.00 O ATOM 1417 CG2 THR A 89 -0.756 3.878 11.104 1.00 0.00 C ATOM 0 H THR A 89 -3.123 3.192 7.713 1.00 0.00 H new ATOM 0 HA THR A 89 -0.280 3.113 8.500 1.00 0.00 H new ATOM 0 HB THR A 89 -2.660 4.051 10.153 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.527 6.099 10.039 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.972 4.642 11.851 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.982 2.894 11.515 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.299 3.924 10.832 1.00 0.00 H new ATOM 1425 N THR A 90 -0.634 0.787 9.287 1.00 0.00 N ATOM 1426 CA THR A 90 -0.783 -0.569 9.801 1.00 0.00 C ATOM 1427 C THR A 90 -0.282 -0.670 11.237 1.00 0.00 C ATOM 1428 O THR A 90 0.634 0.048 11.637 1.00 0.00 O ATOM 1429 CB THR A 90 -0.023 -1.587 8.931 1.00 0.00 C ATOM 1430 OG1 THR A 90 1.378 -1.531 9.222 1.00 0.00 O ATOM 1431 CG2 THR A 90 -0.249 -1.311 7.452 1.00 0.00 C ATOM 0 H THR A 90 0.276 0.982 8.869 1.00 0.00 H new ATOM 0 HA THR A 90 -1.847 -0.802 9.773 1.00 0.00 H new ATOM 0 HB THR A 90 -0.403 -2.582 9.161 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.751 -0.694 8.874 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.298 -2.043 6.858 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.313 -1.383 7.227 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.106 -0.309 7.210 1.00 0.00 H new ATOM 1439 N SER A 91 -0.888 -1.568 12.008 1.00 0.00 N ATOM 1440 CA SER A 91 -0.504 -1.761 13.402 1.00 0.00 C ATOM 1441 C SER A 91 0.995 -2.015 13.522 1.00 0.00 C ATOM 1442 O SER A 91 1.592 -1.787 14.575 1.00 0.00 O ATOM 1443 CB SER A 91 -1.281 -2.931 14.009 1.00 0.00 C ATOM 1444 OG SER A 91 -1.025 -4.134 13.305 1.00 0.00 O ATOM 0 H SER A 91 -1.646 -2.173 11.691 1.00 0.00 H new ATOM 0 HA SER A 91 -0.746 -0.850 13.950 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.002 -3.052 15.056 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.349 -2.713 13.986 1.00 0.00 H new ATOM 0 HG SER A 91 -1.532 -4.866 13.714 1.00 0.00 H new ATOM 1450 N ASP A 92 1.598 -2.487 12.437 1.00 0.00 N ATOM 1451 CA ASP A 92 3.028 -2.772 12.419 1.00 0.00 C ATOM 1452 C ASP A 92 3.825 -1.527 12.039 1.00 0.00 C ATOM 1453 O ASP A 92 4.733 -1.115 12.761 1.00 0.00 O ATOM 1454 CB ASP A 92 3.332 -3.906 11.440 1.00 0.00 C ATOM 1455 CG ASP A 92 2.491 -5.139 11.703 1.00 0.00 C ATOM 1456 OD1 ASP A 92 2.844 -5.914 12.617 1.00 0.00 O ATOM 1457 OD2 ASP A 92 1.480 -5.331 10.995 1.00 0.00 O ATOM 0 H ASP A 92 1.119 -2.681 11.558 1.00 0.00 H new ATOM 0 HA ASP A 92 3.325 -3.080 13.422 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.155 -3.560 10.422 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.388 -4.168 11.509 1.00 0.00 H new ATOM 1462 N CYS A 93 3.479 -0.935 10.902 1.00 0.00 N ATOM 1463 CA CYS A 93 4.163 0.262 10.424 1.00 0.00 C ATOM 1464 C CYS A 93 3.201 1.174 9.670 1.00 0.00 C ATOM 1465 O CYS A 93 2.029 0.844 9.493 1.00 0.00 O ATOM 1466 CB CYS A 93 5.335 -0.122 9.520 1.00 0.00 C ATOM 1467 SG CYS A 93 5.114 -1.692 8.651 1.00 0.00 S ATOM 0 H CYS A 93 2.729 -1.264 10.294 1.00 0.00 H new ATOM 0 HA CYS A 93 4.544 0.803 11.290 1.00 0.00 H new ATOM 0 HB2 CYS A 93 5.488 0.669 8.786 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.242 -0.177 10.122 1.00 0.00 H new ATOM 0 HG CYS A 93 6.156 -1.929 7.911 1.00 0.00 H new ATOM 1473 N GLU A 94 3.705 2.322 9.229 1.00 0.00 N ATOM 1474 CA GLU A 94 2.888 3.283 8.496 1.00 0.00 C ATOM 1475 C GLU A 94 3.525 3.625 7.152 1.00 0.00 C ATOM 1476 O GLU A 94 4.747 3.581 7.003 1.00 0.00 O ATOM 1477 CB GLU A 94 2.697 4.557 9.321 1.00 0.00 C ATOM 1478 CG GLU A 94 1.744 5.556 8.686 1.00 0.00 C ATOM 1479 CD GLU A 94 1.527 6.785 9.547 1.00 0.00 C ATOM 1480 OE1 GLU A 94 1.598 6.659 10.788 1.00 0.00 O ATOM 1481 OE2 GLU A 94 1.287 7.872 8.982 1.00 0.00 O ATOM 0 H GLU A 94 4.674 2.609 9.366 1.00 0.00 H new ATOM 0 HA GLU A 94 1.915 2.828 8.312 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.323 4.288 10.309 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.666 5.034 9.467 1.00 0.00 H new ATOM 0 HG2 GLU A 94 2.137 5.861 7.716 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.785 5.071 8.503 1.00 0.00 H new ATOM 1488 N CYS A 95 2.689 3.964 6.178 1.00 0.00 N ATOM 1489 CA CYS A 95 3.169 4.312 4.845 1.00 0.00 C ATOM 1490 C CYS A 95 2.092 5.046 4.053 1.00 0.00 C ATOM 1491 O CYS A 95 0.981 5.256 4.543 1.00 0.00 O ATOM 1492 CB CYS A 95 3.605 3.054 4.092 1.00 0.00 C ATOM 1493 SG CYS A 95 2.279 1.851 3.837 1.00 0.00 S ATOM 0 H CYS A 95 1.676 4.006 6.286 1.00 0.00 H new ATOM 0 HA CYS A 95 4.027 4.975 4.957 1.00 0.00 H new ATOM 0 HB2 CYS A 95 4.008 3.345 3.122 1.00 0.00 H new ATOM 0 HB3 CYS A 95 4.414 2.575 4.643 1.00 0.00 H new ATOM 0 HG CYS A 95 1.875 1.905 2.602 1.00 0.00 H new ATOM 1499 N LEU A 96 2.427 5.435 2.828 1.00 0.00 N ATOM 1500 CA LEU A 96 1.488 6.147 1.968 1.00 0.00 C ATOM 1501 C LEU A 96 1.317 5.427 0.634 1.00 0.00 C ATOM 1502 O LEU A 96 2.077 4.515 0.307 1.00 0.00 O ATOM 1503 CB LEU A 96 1.971 7.579 1.729 1.00 0.00 C ATOM 1504 CG LEU A 96 1.503 8.623 2.743 1.00 0.00 C ATOM 1505 CD1 LEU A 96 2.393 9.855 2.690 1.00 0.00 C ATOM 1506 CD2 LEU A 96 0.051 9.001 2.489 1.00 0.00 C ATOM 0 H LEU A 96 3.342 5.270 2.408 1.00 0.00 H new ATOM 0 HA LEU A 96 0.522 6.174 2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.061 7.576 1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.642 7.891 0.738 1.00 0.00 H new ATOM 0 HG LEU A 96 1.575 8.190 3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.045 10.587 3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.420 9.572 2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.353 10.290 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.265 9.745 3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.047 9.414 1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.577 8.115 2.579 1.00 0.00 H new ATOM 1518 N PHE A 97 0.315 5.843 -0.133 1.00 0.00 N ATOM 1519 CA PHE A 97 0.045 5.239 -1.432 1.00 0.00 C ATOM 1520 C PHE A 97 -0.643 6.234 -2.362 1.00 0.00 C ATOM 1521 O PHE A 97 -1.713 6.754 -2.048 1.00 0.00 O ATOM 1522 CB PHE A 97 -0.826 3.992 -1.266 1.00 0.00 C ATOM 1523 CG PHE A 97 -0.132 2.867 -0.553 1.00 0.00 C ATOM 1524 CD1 PHE A 97 0.807 2.087 -1.208 1.00 0.00 C ATOM 1525 CD2 PHE A 97 -0.420 2.588 0.774 1.00 0.00 C ATOM 1526 CE1 PHE A 97 1.447 1.051 -0.554 1.00 0.00 C ATOM 1527 CE2 PHE A 97 0.217 1.554 1.433 1.00 0.00 C ATOM 1528 CZ PHE A 97 1.151 0.784 0.768 1.00 0.00 C ATOM 0 H PHE A 97 -0.324 6.596 0.123 1.00 0.00 H new ATOM 0 HA PHE A 97 0.998 4.952 -1.877 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.728 4.259 -0.715 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.144 3.647 -2.250 1.00 0.00 H new ATOM 0 HD1 PHE A 97 1.042 2.291 -2.242 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.151 3.186 1.299 1.00 0.00 H new ATOM 0 HE1 PHE A 97 2.178 0.451 -1.076 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.015 1.348 2.467 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.649 -0.025 1.281 1.00 0.00 H new ATOM 1538 N GLN A 98 -0.021 6.492 -3.508 1.00 0.00 N ATOM 1539 CA GLN A 98 -0.572 7.425 -4.483 1.00 0.00 C ATOM 1540 C GLN A 98 -1.225 6.678 -5.641 1.00 0.00 C ATOM 1541 O GLN A 98 -0.934 5.507 -5.881 1.00 0.00 O ATOM 1542 CB GLN A 98 0.525 8.351 -5.011 1.00 0.00 C ATOM 1543 CG GLN A 98 0.020 9.392 -5.997 1.00 0.00 C ATOM 1544 CD GLN A 98 1.046 10.470 -6.285 1.00 0.00 C ATOM 1545 OE1 GLN A 98 2.241 10.283 -6.054 1.00 0.00 O ATOM 1546 NE2 GLN A 98 0.584 11.607 -6.791 1.00 0.00 N ATOM 0 H GLN A 98 0.865 6.068 -3.784 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.334 8.024 -3.985 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.997 8.858 -4.170 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.296 7.750 -5.493 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.256 8.900 -6.930 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.885 9.853 -5.601 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.415 11.719 -6.967 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.228 12.369 -7.004 1.00 0.00 H new ATOM 1555 N ALA A 99 -2.110 7.365 -6.357 1.00 0.00 N ATOM 1556 CA ALA A 99 -2.804 6.767 -7.491 1.00 0.00 C ATOM 1557 C ALA A 99 -2.747 7.679 -8.712 1.00 0.00 C ATOM 1558 O ALA A 99 -2.242 8.799 -8.638 1.00 0.00 O ATOM 1559 CB ALA A 99 -4.249 6.461 -7.125 1.00 0.00 C ATOM 0 H ALA A 99 -2.363 8.336 -6.172 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.300 5.834 -7.743 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.755 6.015 -7.981 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.272 5.765 -6.287 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.757 7.384 -6.844 1.00 0.00 H new ATOM 1565 N GLU A 100 -3.268 7.192 -9.834 1.00 0.00 N ATOM 1566 CA GLU A 100 -3.275 7.965 -11.070 1.00 0.00 C ATOM 1567 C GLU A 100 -4.582 8.736 -11.223 1.00 0.00 C ATOM 1568 O GLU A 100 -4.593 9.967 -11.224 1.00 0.00 O ATOM 1569 CB GLU A 100 -3.070 7.043 -12.275 1.00 0.00 C ATOM 1570 CG GLU A 100 -2.254 7.673 -13.391 1.00 0.00 C ATOM 1571 CD GLU A 100 -2.282 6.854 -14.667 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -1.919 5.661 -14.615 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -2.668 7.408 -15.718 1.00 0.00 O ATOM 0 H GLU A 100 -3.690 6.267 -9.912 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.455 8.681 -11.025 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -2.574 6.131 -11.944 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -4.044 6.751 -12.668 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.637 8.673 -13.597 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.222 7.789 -13.061 1.00 0.00 H new ATOM 1580 N ASP A 101 -5.683 8.003 -11.353 1.00 0.00 N ATOM 1581 CA ASP A 101 -6.997 8.617 -11.506 1.00 0.00 C ATOM 1582 C ASP A 101 -7.836 8.425 -10.247 1.00 0.00 C ATOM 1583 O ASP A 101 -7.832 7.352 -9.644 1.00 0.00 O ATOM 1584 CB ASP A 101 -7.723 8.024 -12.714 1.00 0.00 C ATOM 1585 CG ASP A 101 -7.290 8.659 -14.020 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -6.095 8.549 -14.366 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -8.145 9.268 -14.696 1.00 0.00 O ATOM 0 H ASP A 101 -5.691 6.983 -11.355 1.00 0.00 H new ATOM 0 HA ASP A 101 -6.855 9.686 -11.667 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -7.536 6.951 -12.756 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -8.798 8.155 -12.589 1.00 0.00 H new ATOM 1592 N ARG A 102 -8.554 9.473 -9.855 1.00 0.00 N ATOM 1593 CA ARG A 102 -9.397 9.420 -8.666 1.00 0.00 C ATOM 1594 C ARG A 102 -10.153 8.097 -8.594 1.00 0.00 C ATOM 1595 O ARG A 102 -10.078 7.382 -7.595 1.00 0.00 O ATOM 1596 CB ARG A 102 -10.387 10.586 -8.665 1.00 0.00 C ATOM 1597 CG ARG A 102 -11.261 10.642 -7.422 1.00 0.00 C ATOM 1598 CD ARG A 102 -12.437 11.587 -7.610 1.00 0.00 C ATOM 1599 NE ARG A 102 -13.538 10.954 -8.332 1.00 0.00 N ATOM 1600 CZ ARG A 102 -14.638 11.597 -8.706 1.00 0.00 C ATOM 1601 NH1 ARG A 102 -14.783 12.886 -8.429 1.00 0.00 N ATOM 1602 NH2 ARG A 102 -15.595 10.952 -9.360 1.00 0.00 N ATOM 0 H ARG A 102 -8.569 10.369 -10.343 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.753 9.498 -7.790 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.834 11.521 -8.752 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -11.026 10.510 -9.545 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.629 9.643 -7.190 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -10.664 10.968 -6.570 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -12.790 11.925 -6.636 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -12.108 12.472 -8.155 1.00 0.00 H new ATOM 0 HE ARG A 102 -13.457 9.963 -8.561 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -14.049 13.386 -7.928 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -15.629 13.378 -8.717 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -15.486 9.961 -9.576 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -16.440 11.447 -9.647 1.00 0.00 H new ATOM 1616 N ASP A 103 -10.880 7.778 -9.659 1.00 0.00 N ATOM 1617 CA ASP A 103 -11.650 6.541 -9.717 1.00 0.00 C ATOM 1618 C ASP A 103 -10.794 5.349 -9.299 1.00 0.00 C ATOM 1619 O ASP A 103 -11.251 4.471 -8.567 1.00 0.00 O ATOM 1620 CB ASP A 103 -12.197 6.322 -11.128 1.00 0.00 C ATOM 1621 CG ASP A 103 -13.127 5.126 -11.209 1.00 0.00 C ATOM 1622 OD1 ASP A 103 -14.011 5.002 -10.336 1.00 0.00 O ATOM 1623 OD2 ASP A 103 -12.970 4.316 -12.145 1.00 0.00 O ATOM 0 H ASP A 103 -10.952 8.359 -10.494 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.485 6.628 -9.022 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.731 7.216 -11.451 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -11.366 6.180 -11.819 1.00 0.00 H new ATOM 1628 N ASP A 104 -9.552 5.325 -9.769 1.00 0.00 N ATOM 1629 CA ASP A 104 -8.632 4.241 -9.445 1.00 0.00 C ATOM 1630 C ASP A 104 -8.283 4.251 -7.960 1.00 0.00 C ATOM 1631 O ASP A 104 -8.303 3.212 -7.300 1.00 0.00 O ATOM 1632 CB ASP A 104 -7.358 4.356 -10.282 1.00 0.00 C ATOM 1633 CG ASP A 104 -7.511 3.736 -11.657 1.00 0.00 C ATOM 1634 OD1 ASP A 104 -8.060 2.618 -11.746 1.00 0.00 O ATOM 1635 OD2 ASP A 104 -7.081 4.369 -12.644 1.00 0.00 O ATOM 0 H ASP A 104 -9.159 6.044 -10.376 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.125 3.297 -9.678 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -7.090 5.407 -10.388 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -6.536 3.869 -9.757 1.00 0.00 H new ATOM 1640 N MET A 105 -7.962 5.432 -7.441 1.00 0.00 N ATOM 1641 CA MET A 105 -7.607 5.577 -6.034 1.00 0.00 C ATOM 1642 C MET A 105 -8.705 5.014 -5.136 1.00 0.00 C ATOM 1643 O MET A 105 -8.458 4.125 -4.320 1.00 0.00 O ATOM 1644 CB MET A 105 -7.362 7.049 -5.697 1.00 0.00 C ATOM 1645 CG MET A 105 -6.760 7.264 -4.317 1.00 0.00 C ATOM 1646 SD MET A 105 -7.060 8.925 -3.681 1.00 0.00 S ATOM 1647 CE MET A 105 -8.851 8.963 -3.664 1.00 0.00 C ATOM 0 H MET A 105 -7.940 6.302 -7.973 1.00 0.00 H new ATOM 0 HA MET A 105 -6.691 5.014 -5.856 1.00 0.00 H new ATOM 0 HB2 MET A 105 -6.697 7.479 -6.446 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.306 7.590 -5.761 1.00 0.00 H new ATOM 0 HG2 MET A 105 -7.177 6.533 -3.625 1.00 0.00 H new ATOM 0 HG3 MET A 105 -5.686 7.084 -4.361 1.00 0.00 H new ATOM 0 HE1 MET A 105 -9.196 9.438 -2.746 1.00 0.00 H new ATOM 0 HE2 MET A 105 -9.211 9.529 -4.523 1.00 0.00 H new ATOM 0 HE3 MET A 105 -9.237 7.945 -3.713 1.00 0.00 H new ATOM 1657 N LEU A 106 -9.916 5.536 -5.292 1.00 0.00 N ATOM 1658 CA LEU A 106 -11.052 5.086 -4.494 1.00 0.00 C ATOM 1659 C LEU A 106 -11.117 3.562 -4.452 1.00 0.00 C ATOM 1660 O LEU A 106 -11.304 2.969 -3.390 1.00 0.00 O ATOM 1661 CB LEU A 106 -12.355 5.647 -5.065 1.00 0.00 C ATOM 1662 CG LEU A 106 -12.669 7.102 -4.715 1.00 0.00 C ATOM 1663 CD1 LEU A 106 -13.825 7.617 -5.558 1.00 0.00 C ATOM 1664 CD2 LEU A 106 -12.985 7.239 -3.233 1.00 0.00 C ATOM 0 H LEU A 106 -10.137 6.271 -5.963 1.00 0.00 H new ATOM 0 HA LEU A 106 -10.920 5.455 -3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -12.322 5.554 -6.151 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -13.179 5.024 -4.716 1.00 0.00 H new ATOM 0 HG LEU A 106 -11.789 7.706 -4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -14.034 8.654 -5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -13.560 7.557 -6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -14.711 7.010 -5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -13.206 8.281 -3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -13.849 6.622 -2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -12.127 6.912 -2.646 1.00 0.00 H new ATOM 1676 N ALA A 107 -10.958 2.936 -5.613 1.00 0.00 N ATOM 1677 CA ALA A 107 -10.995 1.482 -5.708 1.00 0.00 C ATOM 1678 C ALA A 107 -10.105 0.840 -4.648 1.00 0.00 C ATOM 1679 O ALA A 107 -10.556 -0.006 -3.876 1.00 0.00 O ATOM 1680 CB ALA A 107 -10.570 1.032 -7.098 1.00 0.00 C ATOM 0 H ALA A 107 -10.802 3.413 -6.501 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.020 1.158 -5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -10.603 -0.056 -7.154 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.248 1.454 -7.840 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -9.555 1.375 -7.297 1.00 0.00 H new ATOM 1686 N TRP A 108 -8.842 1.248 -4.617 1.00 0.00 N ATOM 1687 CA TRP A 108 -7.889 0.711 -3.652 1.00 0.00 C ATOM 1688 C TRP A 108 -8.399 0.892 -2.226 1.00 0.00 C ATOM 1689 O TRP A 108 -8.633 -0.084 -1.513 1.00 0.00 O ATOM 1690 CB TRP A 108 -6.530 1.395 -3.811 1.00 0.00 C ATOM 1691 CG TRP A 108 -5.635 0.714 -4.801 1.00 0.00 C ATOM 1692 CD1 TRP A 108 -5.303 1.160 -6.049 1.00 0.00 C ATOM 1693 CD2 TRP A 108 -4.959 -0.537 -4.627 1.00 0.00 C ATOM 1694 NE1 TRP A 108 -4.462 0.262 -6.661 1.00 0.00 N ATOM 1695 CE2 TRP A 108 -4.235 -0.787 -5.809 1.00 0.00 C ATOM 1696 CE3 TRP A 108 -4.894 -1.468 -3.588 1.00 0.00 C ATOM 1697 CZ2 TRP A 108 -3.457 -1.929 -5.978 1.00 0.00 C ATOM 1698 CZ3 TRP A 108 -4.123 -2.602 -3.757 1.00 0.00 C ATOM 1699 CH2 TRP A 108 -3.412 -2.825 -4.943 1.00 0.00 C ATOM 0 H TRP A 108 -8.454 1.949 -5.248 1.00 0.00 H new ATOM 0 HA TRP A 108 -7.776 -0.356 -3.846 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -6.685 2.428 -4.123 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -6.031 1.426 -2.842 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -5.650 2.083 -6.490 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.070 0.360 -7.598 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -5.437 -1.304 -2.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -2.909 -2.102 -6.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -4.068 -3.329 -2.961 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -2.817 -3.721 -5.043 1.00 0.00 H new ATOM 1710 N ILE A 109 -8.569 2.145 -1.817 1.00 0.00 N ATOM 1711 CA ILE A 109 -9.052 2.451 -0.477 1.00 0.00 C ATOM 1712 C ILE A 109 -10.143 1.476 -0.049 1.00 0.00 C ATOM 1713 O ILE A 109 -10.105 0.927 1.052 1.00 0.00 O ATOM 1714 CB ILE A 109 -9.601 3.888 -0.392 1.00 0.00 C ATOM 1715 CG1 ILE A 109 -8.462 4.901 -0.518 1.00 0.00 C ATOM 1716 CG2 ILE A 109 -10.354 4.090 0.915 1.00 0.00 C ATOM 1717 CD1 ILE A 109 -8.935 6.335 -0.607 1.00 0.00 C ATOM 0 H ILE A 109 -8.379 2.964 -2.395 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.199 2.355 0.195 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.295 4.046 -1.218 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -7.799 4.798 0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -7.874 4.665 -1.405 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.736 5.110 0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.186 3.388 0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.680 3.917 1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.074 6.997 -0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.574 6.454 -1.482 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.498 6.589 0.291 1.00 0.00 H new ATOM 1729 N LYS A 110 -11.116 1.262 -0.929 1.00 0.00 N ATOM 1730 CA LYS A 110 -12.217 0.349 -0.646 1.00 0.00 C ATOM 1731 C LYS A 110 -11.711 -1.080 -0.481 1.00 0.00 C ATOM 1732 O LYS A 110 -11.785 -1.654 0.606 1.00 0.00 O ATOM 1733 CB LYS A 110 -13.256 0.408 -1.768 1.00 0.00 C ATOM 1734 CG LYS A 110 -14.240 -0.750 -1.747 1.00 0.00 C ATOM 1735 CD LYS A 110 -15.031 -0.833 -3.042 1.00 0.00 C ATOM 1736 CE LYS A 110 -14.177 -1.362 -4.184 1.00 0.00 C ATOM 1737 NZ LYS A 110 -14.995 -2.069 -5.207 1.00 0.00 N ATOM 0 H LYS A 110 -11.164 1.709 -1.845 1.00 0.00 H new ATOM 0 HA LYS A 110 -12.683 0.660 0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.808 1.345 -1.692 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -12.741 0.419 -2.729 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -13.701 -1.684 -1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.925 -0.631 -0.908 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.895 -1.483 -2.901 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -15.414 0.155 -3.300 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -13.645 -0.534 -4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -13.423 -2.042 -3.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -14.376 -2.414 -5.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -15.483 -2.874 -4.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -15.698 -1.413 -5.603 1.00 0.00 H new ATOM 1751 N THR A 111 -11.197 -1.650 -1.566 1.00 0.00 N ATOM 1752 CA THR A 111 -10.678 -3.012 -1.541 1.00 0.00 C ATOM 1753 C THR A 111 -9.971 -3.307 -0.223 1.00 0.00 C ATOM 1754 O THR A 111 -10.335 -4.241 0.491 1.00 0.00 O ATOM 1755 CB THR A 111 -9.699 -3.261 -2.703 1.00 0.00 C ATOM 1756 OG1 THR A 111 -10.356 -3.036 -3.955 1.00 0.00 O ATOM 1757 CG2 THR A 111 -9.156 -4.682 -2.658 1.00 0.00 C ATOM 0 H THR A 111 -11.129 -1.189 -2.474 1.00 0.00 H new ATOM 0 HA THR A 111 -11.534 -3.679 -1.648 1.00 0.00 H new ATOM 0 HB THR A 111 -8.865 -2.566 -2.601 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.442 -2.072 -4.111 1.00 0.00 H new ATOM 0 HG21 THR A 111 -8.467 -4.835 -3.488 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.631 -4.841 -1.716 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.981 -5.390 -2.737 1.00 0.00 H new ATOM 1765 N ILE A 112 -8.960 -2.504 0.093 1.00 0.00 N ATOM 1766 CA ILE A 112 -8.204 -2.679 1.327 1.00 0.00 C ATOM 1767 C ILE A 112 -9.106 -2.545 2.549 1.00 0.00 C ATOM 1768 O ILE A 112 -9.279 -3.496 3.311 1.00 0.00 O ATOM 1769 CB ILE A 112 -7.058 -1.656 1.434 1.00 0.00 C ATOM 1770 CG1 ILE A 112 -6.166 -1.724 0.193 1.00 0.00 C ATOM 1771 CG2 ILE A 112 -6.241 -1.906 2.693 1.00 0.00 C ATOM 1772 CD1 ILE A 112 -5.498 -0.410 -0.144 1.00 0.00 C ATOM 0 H ILE A 112 -8.646 -1.727 -0.488 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.782 -3.684 1.299 1.00 0.00 H new ATOM 0 HB ILE A 112 -7.488 -0.656 1.495 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.399 -2.483 0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.766 -2.046 -0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -5.435 -1.175 2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -6.884 -1.812 3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -5.818 -2.910 2.659 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.882 -0.533 -1.035 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -6.259 0.348 -0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -4.871 -0.096 0.691 1.00 0.00 H new ATOM 1784 N GLN A 113 -9.680 -1.360 2.727 1.00 0.00 N ATOM 1785 CA GLN A 113 -10.565 -1.102 3.856 1.00 0.00 C ATOM 1786 C GLN A 113 -11.513 -2.275 4.083 1.00 0.00 C ATOM 1787 O GLN A 113 -11.925 -2.543 5.211 1.00 0.00 O ATOM 1788 CB GLN A 113 -11.368 0.179 3.620 1.00 0.00 C ATOM 1789 CG GLN A 113 -10.610 1.446 3.981 1.00 0.00 C ATOM 1790 CD GLN A 113 -11.531 2.615 4.271 1.00 0.00 C ATOM 1791 OE1 GLN A 113 -12.674 2.429 4.689 1.00 0.00 O ATOM 1792 NE2 GLN A 113 -11.037 3.827 4.051 1.00 0.00 N ATOM 0 H GLN A 113 -9.548 -0.563 2.104 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.949 -0.978 4.747 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.661 0.227 2.571 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.286 0.135 4.205 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -9.986 1.255 4.854 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -9.941 1.710 3.162 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -10.084 3.934 3.704 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -11.611 4.652 4.229 1.00 0.00 H new ATOM 1801 N GLU A 114 -11.855 -2.971 3.003 1.00 0.00 N ATOM 1802 CA GLU A 114 -12.756 -4.115 3.085 1.00 0.00 C ATOM 1803 C GLU A 114 -12.049 -5.321 3.696 1.00 0.00 C ATOM 1804 O GLU A 114 -12.636 -6.066 4.481 1.00 0.00 O ATOM 1805 CB GLU A 114 -13.291 -4.472 1.697 1.00 0.00 C ATOM 1806 CG GLU A 114 -14.370 -3.526 1.198 1.00 0.00 C ATOM 1807 CD GLU A 114 -15.734 -3.837 1.782 1.00 0.00 C ATOM 1808 OE1 GLU A 114 -15.910 -3.665 3.006 1.00 0.00 O ATOM 1809 OE2 GLU A 114 -16.627 -4.252 1.013 1.00 0.00 O ATOM 0 H GLU A 114 -11.522 -2.763 2.062 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.592 -3.841 3.729 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.464 -4.473 0.987 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.691 -5.486 1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -14.095 -2.502 1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.423 -3.582 0.111 1.00 0.00 H new ATOM 1816 N SER A 115 -10.785 -5.507 3.329 1.00 0.00 N ATOM 1817 CA SER A 115 -9.999 -6.625 3.836 1.00 0.00 C ATOM 1818 C SER A 115 -9.717 -6.459 5.326 1.00 0.00 C ATOM 1819 O SER A 115 -9.963 -7.366 6.121 1.00 0.00 O ATOM 1820 CB SER A 115 -8.682 -6.741 3.066 1.00 0.00 C ATOM 1821 OG SER A 115 -8.857 -7.468 1.862 1.00 0.00 O ATOM 0 H SER A 115 -10.284 -4.898 2.682 1.00 0.00 H new ATOM 0 HA SER A 115 -10.577 -7.538 3.693 1.00 0.00 H new ATOM 0 HB2 SER A 115 -8.300 -5.745 2.841 1.00 0.00 H new ATOM 0 HB3 SER A 115 -7.936 -7.236 3.688 1.00 0.00 H new ATOM 0 HG SER A 115 -8.173 -8.167 1.799 1.00 0.00 H new ATOM 1827 N SER A 116 -9.198 -5.293 5.697 1.00 0.00 N ATOM 1828 CA SER A 116 -8.878 -5.007 7.091 1.00 0.00 C ATOM 1829 C SER A 116 -10.118 -5.136 7.970 1.00 0.00 C ATOM 1830 O SER A 116 -10.104 -5.832 8.985 1.00 0.00 O ATOM 1831 CB SER A 116 -8.289 -3.602 7.223 1.00 0.00 C ATOM 1832 OG SER A 116 -9.214 -2.618 6.795 1.00 0.00 O ATOM 0 H SER A 116 -8.990 -4.531 5.052 1.00 0.00 H new ATOM 0 HA SER A 116 -8.139 -5.735 7.426 1.00 0.00 H new ATOM 0 HB2 SER A 116 -8.011 -3.417 8.261 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.377 -3.530 6.631 1.00 0.00 H new ATOM 0 HG SER A 116 -8.813 -1.729 6.891 1.00 0.00 H new ATOM 1838 N ASN A 117 -11.191 -4.459 7.573 1.00 0.00 N ATOM 1839 CA ASN A 117 -12.440 -4.496 8.324 1.00 0.00 C ATOM 1840 C ASN A 117 -12.861 -5.934 8.608 1.00 0.00 C ATOM 1841 O ASN A 117 -12.363 -6.873 7.986 1.00 0.00 O ATOM 1842 CB ASN A 117 -13.545 -3.772 7.552 1.00 0.00 C ATOM 1843 CG ASN A 117 -14.720 -3.401 8.436 1.00 0.00 C ATOM 1844 OD1 ASN A 117 -14.611 -3.397 9.663 1.00 0.00 O ATOM 1845 ND2 ASN A 117 -15.851 -3.087 7.816 1.00 0.00 N ATOM 0 H ASN A 117 -11.220 -3.878 6.735 1.00 0.00 H new ATOM 0 HA ASN A 117 -12.279 -3.989 9.275 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -13.136 -2.869 7.098 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -13.893 -4.408 6.738 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -16.675 -2.829 8.358 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -15.896 -3.104 6.797 1.00 0.00 H new ATOM 1852 N LEU A 118 -13.783 -6.100 9.551 1.00 0.00 N ATOM 1853 CA LEU A 118 -14.273 -7.424 9.918 1.00 0.00 C ATOM 1854 C LEU A 118 -14.910 -8.120 8.719 1.00 0.00 C ATOM 1855 O LEU A 118 -15.821 -7.584 8.090 1.00 0.00 O ATOM 1856 CB LEU A 118 -15.287 -7.316 11.058 1.00 0.00 C ATOM 1857 CG LEU A 118 -14.714 -6.980 12.435 1.00 0.00 C ATOM 1858 CD1 LEU A 118 -15.770 -6.315 13.304 1.00 0.00 C ATOM 1859 CD2 LEU A 118 -14.178 -8.234 13.111 1.00 0.00 C ATOM 0 H LEU A 118 -14.206 -5.334 10.075 1.00 0.00 H new ATOM 0 HA LEU A 118 -13.423 -8.020 10.251 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -16.019 -6.553 10.795 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -15.824 -8.262 11.131 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.888 -6.281 12.303 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -15.344 -6.083 14.280 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -16.107 -5.395 12.827 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -16.617 -6.990 13.428 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -13.774 -7.975 14.090 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.986 -8.956 13.231 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.390 -8.670 12.497 1.00 0.00 H new ATOM 1871 N ASN A 119 -14.425 -9.319 8.411 1.00 0.00 N ATOM 1872 CA ASN A 119 -14.948 -10.089 7.289 1.00 0.00 C ATOM 1873 C ASN A 119 -16.164 -10.908 7.711 1.00 0.00 C ATOM 1874 O ASN A 119 -16.301 -12.073 7.337 1.00 0.00 O ATOM 1875 CB ASN A 119 -13.865 -11.014 6.729 1.00 0.00 C ATOM 1876 CG ASN A 119 -12.990 -11.605 7.818 1.00 0.00 C ATOM 1877 OD1 ASN A 119 -11.957 -10.870 8.211 1.00 0.00 O flip ATOM 1878 ND2 ASN A 119 -13.242 -12.710 8.300 1.00 0.00 N flip ATOM 0 H ASN A 119 -13.671 -9.778 8.923 1.00 0.00 H new ATOM 0 HA ASN A 119 -15.256 -9.389 6.512 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -14.335 -11.821 6.167 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -13.242 -10.458 6.028 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -14.047 -13.240 7.967 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -12.645 -13.095 9.032 1.00 0.00 H new ATOM 1885 N SER A 120 -17.044 -10.291 8.493 1.00 0.00 N ATOM 1886 CA SER A 120 -18.247 -10.963 8.970 1.00 0.00 C ATOM 1887 C SER A 120 -19.394 -10.792 7.978 1.00 0.00 C ATOM 1888 O SER A 120 -20.530 -10.525 8.366 1.00 0.00 O ATOM 1889 CB SER A 120 -18.655 -10.415 10.338 1.00 0.00 C ATOM 1890 OG SER A 120 -19.698 -11.187 10.907 1.00 0.00 O ATOM 0 H SER A 120 -16.946 -9.326 8.810 1.00 0.00 H new ATOM 0 HA SER A 120 -18.026 -12.026 9.064 1.00 0.00 H new ATOM 0 HB2 SER A 120 -17.793 -10.415 11.005 1.00 0.00 H new ATOM 0 HB3 SER A 120 -18.979 -9.379 10.236 1.00 0.00 H new ATOM 0 HG SER A 120 -20.447 -11.239 10.278 1.00 0.00 H new ATOM 1896 N GLY A 121 -19.086 -10.948 6.694 1.00 0.00 N ATOM 1897 CA GLY A 121 -20.100 -10.808 5.666 1.00 0.00 C ATOM 1898 C GLY A 121 -21.080 -11.964 5.656 1.00 0.00 C ATOM 1899 O GLY A 121 -20.857 -13.000 6.282 1.00 0.00 O ATOM 0 H GLY A 121 -18.152 -11.169 6.348 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -20.644 -9.876 5.821 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -19.617 -10.737 4.691 1.00 0.00 H new ATOM 1903 N PRO A 122 -22.197 -11.792 4.934 1.00 0.00 N ATOM 1904 CA PRO A 122 -23.239 -12.818 4.830 1.00 0.00 C ATOM 1905 C PRO A 122 -22.783 -14.026 4.018 1.00 0.00 C ATOM 1906 O PRO A 122 -22.921 -14.052 2.795 1.00 0.00 O ATOM 1907 CB PRO A 122 -24.381 -12.093 4.114 1.00 0.00 C ATOM 1908 CG PRO A 122 -23.715 -11.007 3.342 1.00 0.00 C ATOM 1909 CD PRO A 122 -22.530 -10.582 4.163 1.00 0.00 C ATOM 0 HA PRO A 122 -23.516 -13.218 5.805 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -24.928 -12.768 3.456 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -25.101 -11.689 4.825 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -23.402 -11.362 2.360 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -24.395 -10.172 3.177 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -21.698 -10.265 3.534 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -22.773 -9.744 4.816 1.00 0.00 H new ATOM 1917 N SER A 123 -22.239 -15.025 4.706 1.00 0.00 N ATOM 1918 CA SER A 123 -21.760 -16.234 4.048 1.00 0.00 C ATOM 1919 C SER A 123 -22.704 -17.405 4.307 1.00 0.00 C ATOM 1920 O SER A 123 -22.265 -18.525 4.567 1.00 0.00 O ATOM 1921 CB SER A 123 -20.352 -16.582 4.536 1.00 0.00 C ATOM 1922 OG SER A 123 -20.340 -16.816 5.934 1.00 0.00 O ATOM 0 H SER A 123 -22.119 -15.020 5.719 1.00 0.00 H new ATOM 0 HA SER A 123 -21.729 -16.046 2.975 1.00 0.00 H new ATOM 0 HB2 SER A 123 -19.991 -17.467 4.013 1.00 0.00 H new ATOM 0 HB3 SER A 123 -19.668 -15.768 4.294 1.00 0.00 H new ATOM 0 HG SER A 123 -19.430 -17.038 6.221 1.00 0.00 H new ATOM 1928 N SER A 124 -24.004 -17.135 4.235 1.00 0.00 N ATOM 1929 CA SER A 124 -25.011 -18.164 4.465 1.00 0.00 C ATOM 1930 C SER A 124 -25.833 -18.412 3.204 1.00 0.00 C ATOM 1931 O SER A 124 -26.077 -17.497 2.418 1.00 0.00 O ATOM 1932 CB SER A 124 -25.933 -17.756 5.616 1.00 0.00 C ATOM 1933 OG SER A 124 -26.698 -16.612 5.276 1.00 0.00 O ATOM 0 H SER A 124 -24.384 -16.213 4.019 1.00 0.00 H new ATOM 0 HA SER A 124 -24.497 -19.088 4.730 1.00 0.00 H new ATOM 0 HB2 SER A 124 -26.599 -18.583 5.863 1.00 0.00 H new ATOM 0 HB3 SER A 124 -25.339 -17.549 6.506 1.00 0.00 H new ATOM 0 HG SER A 124 -27.280 -16.373 6.027 1.00 0.00 H new ATOM 1939 N GLY A 125 -26.258 -19.658 3.017 1.00 0.00 N ATOM 1940 CA GLY A 125 -27.048 -20.005 1.850 1.00 0.00 C ATOM 1941 C GLY A 125 -26.255 -20.793 0.827 1.00 0.00 C ATOM 1942 O GLY A 125 -25.634 -20.216 -0.065 1.00 0.00 O ATOM 0 H GLY A 125 -26.069 -20.433 3.653 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -27.914 -20.589 2.162 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -27.427 -19.094 1.388 1.00 0.00 H new TER 1946 GLY A 125