USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 597 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 Single : A 1 GLY N :NH3+ -124:sc= 0.0841 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -47:sc= 0.292 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.348 X(o=0.35,f=-0.007) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.21) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.369 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 140:sc= 0.882 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 152:sc= 1.22 (180deg=0.568) USER MOD Single : A 57 THR OG1 : rot 69:sc= 0.853 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0.489 K(o=0.49,f=-0.61) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.00307 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.513 3.455 4.218 1.00 0.00 N ATOM 2 CA GLY A 1 26.377 2.625 4.676 1.00 0.00 C ATOM 3 C GLY A 1 26.679 1.911 5.990 1.00 0.00 C ATOM 4 O GLY A 1 27.665 2.239 6.654 1.00 0.00 O ATOM 0 H1 GLY A 1 27.194 4.436 4.083 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.269 3.432 4.931 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.875 3.081 3.317 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.496 3.255 4.801 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.136 1.887 3.910 1.00 0.00 H new ATOM 10 N PRO A 2 25.838 0.937 6.402 1.00 0.00 N ATOM 11 CA PRO A 2 26.035 0.156 7.630 1.00 0.00 C ATOM 12 C PRO A 2 27.316 -0.705 7.610 1.00 0.00 C ATOM 13 O PRO A 2 27.859 -1.038 6.546 1.00 0.00 O ATOM 14 CB PRO A 2 24.783 -0.720 7.786 1.00 0.00 C ATOM 15 CG PRO A 2 23.735 -0.022 6.920 1.00 0.00 C ATOM 16 CD PRO A 2 24.561 0.591 5.791 1.00 0.00 C ATOM 0 HA PRO A 2 26.170 0.830 8.476 1.00 0.00 H new ATOM 0 HB2 PRO A 2 24.965 -1.740 7.448 1.00 0.00 H new ATOM 0 HB3 PRO A 2 24.465 -0.781 8.827 1.00 0.00 H new ATOM 0 HG2 PRO A 2 22.994 -0.726 6.540 1.00 0.00 H new ATOM 0 HG3 PRO A 2 23.193 0.740 7.481 1.00 0.00 H new ATOM 0 HD2 PRO A 2 24.694 -0.115 4.971 1.00 0.00 H new ATOM 0 HD3 PRO A 2 24.070 1.472 5.376 1.00 0.00 H new ATOM 24 N GLY A 3 27.793 -1.113 8.790 1.00 0.00 N ATOM 25 CA GLY A 3 28.972 -1.977 8.945 1.00 0.00 C ATOM 26 C GLY A 3 28.796 -3.356 8.291 1.00 0.00 C ATOM 27 O GLY A 3 27.805 -4.046 8.552 1.00 0.00 O ATOM 0 H GLY A 3 27.366 -0.850 9.678 1.00 0.00 H new ATOM 0 HA2 GLY A 3 29.839 -1.482 8.507 1.00 0.00 H new ATOM 0 HA3 GLY A 3 29.182 -2.109 10.006 1.00 0.00 H new ATOM 31 N SER A 4 29.755 -3.755 7.448 1.00 0.00 N ATOM 32 CA SER A 4 29.755 -5.025 6.686 1.00 0.00 C ATOM 33 C SER A 4 28.487 -5.281 5.841 1.00 0.00 C ATOM 34 O SER A 4 28.103 -6.430 5.612 1.00 0.00 O ATOM 35 CB SER A 4 30.107 -6.222 7.592 1.00 0.00 C ATOM 36 OG SER A 4 31.352 -6.007 8.237 1.00 0.00 O ATOM 0 H SER A 4 30.584 -3.189 7.266 1.00 0.00 H new ATOM 0 HA SER A 4 30.546 -4.912 5.945 1.00 0.00 H new ATOM 0 HB2 SER A 4 29.324 -6.364 8.337 1.00 0.00 H new ATOM 0 HB3 SER A 4 30.151 -7.135 6.998 1.00 0.00 H new ATOM 0 HG SER A 4 31.561 -6.774 8.810 1.00 0.00 H new ATOM 42 N TYR A 5 27.825 -4.219 5.362 1.00 0.00 N ATOM 43 CA TYR A 5 26.579 -4.298 4.582 1.00 0.00 C ATOM 44 C TYR A 5 26.769 -4.962 3.210 1.00 0.00 C ATOM 45 O TYR A 5 27.755 -4.714 2.507 1.00 0.00 O ATOM 46 CB TYR A 5 25.968 -2.900 4.427 1.00 0.00 C ATOM 47 CG TYR A 5 24.618 -2.875 3.730 1.00 0.00 C ATOM 48 CD1 TYR A 5 23.449 -3.197 4.449 1.00 0.00 C ATOM 49 CD2 TYR A 5 24.531 -2.538 2.365 1.00 0.00 C ATOM 50 CE1 TYR A 5 22.198 -3.187 3.803 1.00 0.00 C ATOM 51 CE2 TYR A 5 23.280 -2.511 1.722 1.00 0.00 C ATOM 52 CZ TYR A 5 22.108 -2.829 2.441 1.00 0.00 C ATOM 53 OH TYR A 5 20.893 -2.814 1.826 1.00 0.00 O ATOM 0 H TYR A 5 28.146 -3.262 5.508 1.00 0.00 H new ATOM 0 HA TYR A 5 25.894 -4.937 5.139 1.00 0.00 H new ATOM 0 HB2 TYR A 5 25.861 -2.453 5.415 1.00 0.00 H new ATOM 0 HB3 TYR A 5 26.663 -2.274 3.868 1.00 0.00 H new ATOM 0 HD1 TYR A 5 23.513 -3.452 5.497 1.00 0.00 H new ATOM 0 HD2 TYR A 5 25.427 -2.300 1.811 1.00 0.00 H new ATOM 0 HE1 TYR A 5 21.306 -3.454 4.351 1.00 0.00 H new ATOM 0 HE2 TYR A 5 23.216 -2.247 0.677 1.00 0.00 H new ATOM 0 HH TYR A 5 21.003 -2.545 0.890 1.00 0.00 H new ATOM 63 N THR A 6 25.804 -5.796 2.812 1.00 0.00 N ATOM 64 CA THR A 6 25.807 -6.542 1.534 1.00 0.00 C ATOM 65 C THR A 6 24.394 -6.751 0.946 1.00 0.00 C ATOM 66 O THR A 6 24.194 -7.593 0.062 1.00 0.00 O ATOM 67 CB THR A 6 26.595 -7.860 1.712 1.00 0.00 C ATOM 68 OG1 THR A 6 26.899 -8.469 0.474 1.00 0.00 O ATOM 69 CG2 THR A 6 25.893 -8.888 2.608 1.00 0.00 C ATOM 0 H THR A 6 24.976 -5.981 3.378 1.00 0.00 H new ATOM 0 HA THR A 6 26.317 -5.936 0.785 1.00 0.00 H new ATOM 0 HB THR A 6 27.515 -7.556 2.210 1.00 0.00 H new ATOM 0 HG1 THR A 6 26.098 -8.479 -0.091 1.00 0.00 H new ATOM 0 HG21 THR A 6 26.508 -9.785 2.684 1.00 0.00 H new ATOM 0 HG22 THR A 6 25.745 -8.464 3.601 1.00 0.00 H new ATOM 0 HG23 THR A 6 24.926 -9.147 2.177 1.00 0.00 H new ATOM 77 N GLY A 7 23.388 -6.013 1.435 1.00 0.00 N ATOM 78 CA GLY A 7 21.989 -6.165 1.012 1.00 0.00 C ATOM 79 C GLY A 7 21.726 -5.736 -0.441 1.00 0.00 C ATOM 80 O GLY A 7 22.255 -4.723 -0.908 1.00 0.00 O ATOM 0 H GLY A 7 23.523 -5.289 2.140 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.695 -7.208 1.131 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.354 -5.577 1.674 1.00 0.00 H new ATOM 84 N ALA A 8 20.902 -6.513 -1.150 1.00 0.00 N ATOM 85 CA ALA A 8 20.498 -6.283 -2.543 1.00 0.00 C ATOM 86 C ALA A 8 19.082 -6.840 -2.825 1.00 0.00 C ATOM 87 O ALA A 8 18.569 -7.677 -2.074 1.00 0.00 O ATOM 88 CB ALA A 8 21.541 -6.929 -3.470 1.00 0.00 C ATOM 0 H ALA A 8 20.480 -7.354 -0.755 1.00 0.00 H new ATOM 0 HA ALA A 8 20.454 -5.210 -2.730 1.00 0.00 H new ATOM 0 HB1 ALA A 8 21.255 -6.767 -4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 8 22.517 -6.480 -3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 8 21.592 -7.999 -3.271 1.00 0.00 H new ATOM 94 N GLY A 9 18.459 -6.399 -3.920 1.00 0.00 N ATOM 95 CA GLY A 9 17.129 -6.855 -4.349 1.00 0.00 C ATOM 96 C GLY A 9 16.668 -6.254 -5.682 1.00 0.00 C ATOM 97 O GLY A 9 17.293 -5.334 -6.221 1.00 0.00 O ATOM 0 H GLY A 9 18.868 -5.704 -4.545 1.00 0.00 H new ATOM 0 HA2 GLY A 9 17.138 -7.942 -4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 9 16.402 -6.603 -3.577 1.00 0.00 H new ATOM 101 N GLU A 10 15.565 -6.784 -6.212 1.00 0.00 N ATOM 102 CA GLU A 10 14.922 -6.378 -7.467 1.00 0.00 C ATOM 103 C GLU A 10 13.380 -6.478 -7.372 1.00 0.00 C ATOM 104 O GLU A 10 12.877 -7.210 -6.509 1.00 0.00 O ATOM 105 CB GLU A 10 15.476 -7.238 -8.615 1.00 0.00 C ATOM 106 CG GLU A 10 15.173 -8.739 -8.484 1.00 0.00 C ATOM 107 CD GLU A 10 15.801 -9.528 -9.647 1.00 0.00 C ATOM 108 OE1 GLU A 10 15.171 -9.635 -10.728 1.00 0.00 O ATOM 109 OE2 GLU A 10 16.932 -10.051 -9.494 1.00 0.00 O ATOM 0 H GLU A 10 15.068 -7.549 -5.755 1.00 0.00 H new ATOM 0 HA GLU A 10 15.152 -5.331 -7.665 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.062 -6.877 -9.556 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.556 -7.101 -8.668 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.560 -9.111 -7.535 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.095 -8.897 -8.472 1.00 0.00 H new ATOM 116 N PRO A 11 12.599 -5.795 -8.239 1.00 0.00 N ATOM 117 CA PRO A 11 11.140 -5.905 -8.268 1.00 0.00 C ATOM 118 C PRO A 11 10.669 -7.352 -8.523 1.00 0.00 C ATOM 119 O PRO A 11 11.116 -8.002 -9.470 1.00 0.00 O ATOM 120 CB PRO A 11 10.657 -4.941 -9.361 1.00 0.00 C ATOM 121 CG PRO A 11 11.789 -3.922 -9.444 1.00 0.00 C ATOM 122 CD PRO A 11 13.027 -4.766 -9.173 1.00 0.00 C ATOM 0 HA PRO A 11 10.714 -5.640 -7.300 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.504 -5.452 -10.311 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.710 -4.471 -9.095 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.832 -3.445 -10.423 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.672 -3.128 -8.707 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.411 -5.206 -10.093 1.00 0.00 H new ATOM 0 HD3 PRO A 11 13.829 -4.161 -8.750 1.00 0.00 H new ATOM 130 N SER A 12 9.760 -7.850 -7.681 1.00 0.00 N ATOM 131 CA SER A 12 9.175 -9.196 -7.768 1.00 0.00 C ATOM 132 C SER A 12 7.764 -9.222 -7.180 1.00 0.00 C ATOM 133 O SER A 12 7.539 -8.732 -6.067 1.00 0.00 O ATOM 134 CB SER A 12 10.064 -10.200 -7.019 1.00 0.00 C ATOM 135 OG SER A 12 9.439 -11.474 -6.979 1.00 0.00 O ATOM 0 H SER A 12 9.397 -7.312 -6.894 1.00 0.00 H new ATOM 0 HA SER A 12 9.114 -9.473 -8.821 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.033 -10.278 -7.512 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.250 -9.846 -6.005 1.00 0.00 H new ATOM 0 HG SER A 12 10.015 -12.106 -6.501 1.00 0.00 H new ATOM 141 N GLN A 13 6.824 -9.854 -7.891 1.00 0.00 N ATOM 142 CA GLN A 13 5.453 -10.046 -7.411 1.00 0.00 C ATOM 143 C GLN A 13 5.387 -10.865 -6.109 1.00 0.00 C ATOM 144 O GLN A 13 4.490 -10.640 -5.294 1.00 0.00 O ATOM 145 CB GLN A 13 4.591 -10.660 -8.531 1.00 0.00 C ATOM 146 CG GLN A 13 5.009 -12.082 -8.936 1.00 0.00 C ATOM 147 CD GLN A 13 4.147 -12.630 -10.076 1.00 0.00 C ATOM 148 OE1 GLN A 13 4.479 -12.541 -11.254 1.00 0.00 O ATOM 149 NE2 GLN A 13 3.003 -13.208 -9.782 1.00 0.00 N ATOM 0 H GLN A 13 6.994 -10.247 -8.817 1.00 0.00 H new ATOM 0 HA GLN A 13 5.045 -9.068 -7.156 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.551 -10.677 -8.206 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.640 -10.015 -9.408 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.055 -12.079 -9.242 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.931 -12.743 -8.073 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.709 -13.292 -8.809 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.409 -13.573 -10.527 1.00 0.00 H new ATOM 158 N ALA A 14 6.338 -11.779 -5.883 1.00 0.00 N ATOM 159 CA ALA A 14 6.382 -12.631 -4.694 1.00 0.00 C ATOM 160 C ALA A 14 6.950 -11.891 -3.464 1.00 0.00 C ATOM 161 O ALA A 14 6.453 -12.064 -2.344 1.00 0.00 O ATOM 162 CB ALA A 14 7.198 -13.890 -5.020 1.00 0.00 C ATOM 0 H ALA A 14 7.108 -11.948 -6.531 1.00 0.00 H new ATOM 0 HA ALA A 14 5.364 -12.914 -4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.239 -14.534 -4.142 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.726 -14.427 -5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.210 -13.604 -5.307 1.00 0.00 H new ATOM 168 N ASP A 15 7.939 -11.014 -3.675 1.00 0.00 N ATOM 169 CA ASP A 15 8.469 -10.139 -2.619 1.00 0.00 C ATOM 170 C ASP A 15 7.471 -9.053 -2.217 1.00 0.00 C ATOM 171 O ASP A 15 7.342 -8.724 -1.035 1.00 0.00 O ATOM 172 CB ASP A 15 9.836 -9.551 -3.005 1.00 0.00 C ATOM 173 CG ASP A 15 10.950 -10.583 -3.285 1.00 0.00 C ATOM 174 OD1 ASP A 15 10.825 -11.781 -2.925 1.00 0.00 O ATOM 175 OD2 ASP A 15 11.998 -10.181 -3.840 1.00 0.00 O ATOM 0 H ASP A 15 8.394 -10.890 -4.579 1.00 0.00 H new ATOM 0 HA ASP A 15 8.624 -10.760 -1.737 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.708 -8.932 -3.893 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.168 -8.893 -2.202 1.00 0.00 H new ATOM 180 N LEU A 16 6.701 -8.569 -3.191 1.00 0.00 N ATOM 181 CA LEU A 16 5.568 -7.671 -2.958 1.00 0.00 C ATOM 182 C LEU A 16 4.439 -8.382 -2.202 1.00 0.00 C ATOM 183 O LEU A 16 3.971 -7.860 -1.202 1.00 0.00 O ATOM 184 CB LEU A 16 5.064 -7.090 -4.289 1.00 0.00 C ATOM 185 CG LEU A 16 6.016 -6.042 -4.895 1.00 0.00 C ATOM 186 CD1 LEU A 16 5.655 -5.780 -6.357 1.00 0.00 C ATOM 187 CD2 LEU A 16 5.925 -4.717 -4.142 1.00 0.00 C ATOM 0 H LEU A 16 6.847 -8.791 -4.176 1.00 0.00 H new ATOM 0 HA LEU A 16 5.910 -6.847 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.927 -7.902 -5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.086 -6.635 -4.132 1.00 0.00 H new ATOM 0 HG LEU A 16 7.028 -6.439 -4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.336 -5.037 -6.772 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.739 -6.707 -6.924 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.632 -5.409 -6.418 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.608 -3.996 -4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.905 -4.336 -4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.197 -4.872 -3.098 1.00 0.00 H new ATOM 199 N ASP A 17 4.033 -9.589 -2.606 1.00 0.00 N ATOM 200 CA ASP A 17 2.987 -10.353 -1.917 1.00 0.00 C ATOM 201 C ASP A 17 3.324 -10.621 -0.441 1.00 0.00 C ATOM 202 O ASP A 17 2.458 -10.485 0.426 1.00 0.00 O ATOM 203 CB ASP A 17 2.794 -11.685 -2.658 1.00 0.00 C ATOM 204 CG ASP A 17 1.695 -12.557 -2.036 1.00 0.00 C ATOM 205 OD1 ASP A 17 0.496 -12.289 -2.300 1.00 0.00 O ATOM 206 OD2 ASP A 17 2.024 -13.514 -1.296 1.00 0.00 O ATOM 0 H ASP A 17 4.420 -10.065 -3.421 1.00 0.00 H new ATOM 0 HA ASP A 17 2.071 -9.762 -1.926 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.545 -11.483 -3.700 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.734 -12.237 -2.656 1.00 0.00 H new ATOM 211 N ALA A 18 4.593 -10.930 -0.142 1.00 0.00 N ATOM 212 CA ALA A 18 5.076 -11.141 1.223 1.00 0.00 C ATOM 213 C ALA A 18 5.045 -9.848 2.066 1.00 0.00 C ATOM 214 O ALA A 18 4.572 -9.856 3.207 1.00 0.00 O ATOM 215 CB ALA A 18 6.492 -11.719 1.151 1.00 0.00 C ATOM 0 H ALA A 18 5.318 -11.041 -0.851 1.00 0.00 H new ATOM 0 HA ALA A 18 4.410 -11.842 1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.870 -11.883 2.160 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.471 -12.666 0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.145 -11.019 0.629 1.00 0.00 H new ATOM 221 N LEU A 19 5.508 -8.735 1.492 1.00 0.00 N ATOM 222 CA LEU A 19 5.498 -7.405 2.102 1.00 0.00 C ATOM 223 C LEU A 19 4.059 -6.933 2.393 1.00 0.00 C ATOM 224 O LEU A 19 3.753 -6.504 3.508 1.00 0.00 O ATOM 225 CB LEU A 19 6.192 -6.446 1.117 1.00 0.00 C ATOM 226 CG LEU A 19 6.411 -5.023 1.656 1.00 0.00 C ATOM 227 CD1 LEU A 19 7.806 -4.913 2.272 1.00 0.00 C ATOM 228 CD2 LEU A 19 6.285 -4.019 0.508 1.00 0.00 C ATOM 0 H LEU A 19 5.914 -8.736 0.556 1.00 0.00 H new ATOM 0 HA LEU A 19 6.022 -7.427 3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.158 -6.868 0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.596 -6.388 0.206 1.00 0.00 H new ATOM 0 HG LEU A 19 5.661 -4.808 2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.957 -3.903 2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.900 -5.627 3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.557 -5.131 1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.440 -3.010 0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.035 -4.239 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.290 -4.092 0.068 1.00 0.00 H new ATOM 240 N LEU A 20 3.173 -7.071 1.404 1.00 0.00 N ATOM 241 CA LEU A 20 1.768 -6.653 1.446 1.00 0.00 C ATOM 242 C LEU A 20 0.962 -7.480 2.459 1.00 0.00 C ATOM 243 O LEU A 20 0.216 -6.921 3.263 1.00 0.00 O ATOM 244 CB LEU A 20 1.172 -6.785 0.039 1.00 0.00 C ATOM 245 CG LEU A 20 1.707 -5.742 -0.964 1.00 0.00 C ATOM 246 CD1 LEU A 20 1.425 -6.160 -2.405 1.00 0.00 C ATOM 247 CD2 LEU A 20 1.036 -4.388 -0.750 1.00 0.00 C ATOM 0 H LEU A 20 3.426 -7.496 0.512 1.00 0.00 H new ATOM 0 HA LEU A 20 1.717 -5.615 1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.383 -7.784 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.088 -6.691 0.103 1.00 0.00 H new ATOM 0 HG LEU A 20 2.781 -5.673 -0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.815 -5.404 -3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.909 -7.115 -2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.349 -6.260 -2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.430 -3.669 -1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.040 -4.489 -0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.239 -4.037 0.262 1.00 0.00 H new ATOM 259 N SER A 21 1.141 -8.803 2.488 1.00 0.00 N ATOM 260 CA SER A 21 0.450 -9.696 3.431 1.00 0.00 C ATOM 261 C SER A 21 0.712 -9.304 4.893 1.00 0.00 C ATOM 262 O SER A 21 -0.195 -9.350 5.725 1.00 0.00 O ATOM 263 CB SER A 21 0.886 -11.139 3.164 1.00 0.00 C ATOM 264 OG SER A 21 0.169 -12.058 3.977 1.00 0.00 O ATOM 0 H SER A 21 1.774 -9.292 1.854 1.00 0.00 H new ATOM 0 HA SER A 21 -0.624 -9.603 3.273 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.727 -11.380 2.113 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.954 -11.239 3.355 1.00 0.00 H new ATOM 0 HG SER A 21 0.469 -12.970 3.782 1.00 0.00 H new ATOM 270 N ALA A 22 1.922 -8.814 5.199 1.00 0.00 N ATOM 271 CA ALA A 22 2.293 -8.381 6.545 1.00 0.00 C ATOM 272 C ALA A 22 1.682 -7.019 6.937 1.00 0.00 C ATOM 273 O ALA A 22 1.318 -6.836 8.098 1.00 0.00 O ATOM 274 CB ALA A 22 3.822 -8.386 6.648 1.00 0.00 C ATOM 0 H ALA A 22 2.670 -8.708 4.514 1.00 0.00 H new ATOM 0 HA ALA A 22 1.874 -9.083 7.266 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.120 -8.065 7.646 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.196 -9.393 6.463 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.239 -7.703 5.908 1.00 0.00 H new ATOM 280 N VAL A 23 1.507 -6.069 6.004 1.00 0.00 N ATOM 281 CA VAL A 23 0.900 -4.750 6.303 1.00 0.00 C ATOM 282 C VAL A 23 -0.634 -4.795 6.295 1.00 0.00 C ATOM 283 O VAL A 23 -1.267 -4.127 7.117 1.00 0.00 O ATOM 284 CB VAL A 23 1.473 -3.643 5.397 1.00 0.00 C ATOM 285 CG1 VAL A 23 1.295 -3.942 3.914 1.00 0.00 C ATOM 286 CG2 VAL A 23 0.888 -2.254 5.676 1.00 0.00 C ATOM 0 H VAL A 23 1.778 -6.186 5.028 1.00 0.00 H new ATOM 0 HA VAL A 23 1.180 -4.492 7.324 1.00 0.00 H new ATOM 0 HB VAL A 23 2.534 -3.633 5.645 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.718 -3.128 3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.807 -4.872 3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.233 -4.040 3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.339 -1.527 5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.190 -2.275 5.519 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.099 -1.971 6.707 1.00 0.00 H new ATOM 296 N ARG A 24 -1.244 -5.661 5.471 1.00 0.00 N ATOM 297 CA ARG A 24 -2.691 -5.969 5.506 1.00 0.00 C ATOM 298 C ARG A 24 -3.117 -6.613 6.834 1.00 0.00 C ATOM 299 O ARG A 24 -4.243 -6.418 7.291 1.00 0.00 O ATOM 300 CB ARG A 24 -3.020 -6.888 4.313 1.00 0.00 C ATOM 301 CG ARG A 24 -4.507 -7.007 3.947 1.00 0.00 C ATOM 302 CD ARG A 24 -5.121 -5.722 3.356 1.00 0.00 C ATOM 303 NE ARG A 24 -6.418 -6.017 2.712 1.00 0.00 N ATOM 304 CZ ARG A 24 -6.914 -5.469 1.613 1.00 0.00 C ATOM 305 NH1 ARG A 24 -6.386 -4.431 1.040 1.00 0.00 N ATOM 306 NH2 ARG A 24 -7.983 -5.961 1.055 1.00 0.00 N ATOM 0 H ARG A 24 -0.742 -6.177 4.749 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.253 -5.038 5.429 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.479 -6.525 3.439 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.639 -7.885 4.532 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.628 -7.817 3.228 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.067 -7.286 4.839 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.260 -4.982 4.144 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.437 -5.287 2.627 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.997 -6.723 3.166 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.550 -4.000 1.436 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.807 -4.046 0.194 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.444 -6.774 1.464 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.359 -5.534 0.209 1.00 0.00 H new ATOM 320 N ASP A 25 -2.198 -7.332 7.483 1.00 0.00 N ATOM 321 CA ASP A 25 -2.339 -7.933 8.819 1.00 0.00 C ATOM 322 C ASP A 25 -1.742 -7.063 9.958 1.00 0.00 C ATOM 323 O ASP A 25 -1.582 -7.524 11.088 1.00 0.00 O ATOM 324 CB ASP A 25 -1.737 -9.347 8.768 1.00 0.00 C ATOM 325 CG ASP A 25 -2.116 -10.251 9.952 1.00 0.00 C ATOM 326 OD1 ASP A 25 -3.272 -10.201 10.439 1.00 0.00 O ATOM 327 OD2 ASP A 25 -1.268 -11.085 10.352 1.00 0.00 O ATOM 0 H ASP A 25 -1.285 -7.523 7.071 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.398 -7.993 9.071 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.056 -9.829 7.844 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.651 -9.263 8.726 1.00 0.00 H new ATOM 332 N ASN A 26 -1.391 -5.804 9.662 1.00 0.00 N ATOM 333 CA ASN A 26 -0.850 -4.776 10.570 1.00 0.00 C ATOM 334 C ASN A 26 0.425 -5.166 11.360 1.00 0.00 C ATOM 335 O ASN A 26 0.694 -4.602 12.426 1.00 0.00 O ATOM 336 CB ASN A 26 -1.987 -4.112 11.383 1.00 0.00 C ATOM 337 CG ASN A 26 -2.614 -4.974 12.472 1.00 0.00 C ATOM 338 OD1 ASN A 26 -3.779 -5.351 12.407 1.00 0.00 O ATOM 339 ND2 ASN A 26 -1.887 -5.292 13.522 1.00 0.00 N ATOM 0 H ASN A 26 -1.484 -5.448 8.711 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.430 -3.993 9.939 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.597 -3.205 11.844 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.772 -3.806 10.691 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.293 -5.848 14.274 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.917 -4.982 13.584 1.00 0.00 H new ATOM 346 N ARG A 27 1.224 -6.102 10.827 1.00 0.00 N ATOM 347 CA ARG A 27 2.543 -6.504 11.350 1.00 0.00 C ATOM 348 C ARG A 27 3.726 -5.769 10.702 1.00 0.00 C ATOM 349 O ARG A 27 4.824 -5.779 11.260 1.00 0.00 O ATOM 350 CB ARG A 27 2.684 -8.034 11.267 1.00 0.00 C ATOM 351 CG ARG A 27 1.846 -8.676 12.380 1.00 0.00 C ATOM 352 CD ARG A 27 2.053 -10.185 12.478 1.00 0.00 C ATOM 353 NE ARG A 27 1.400 -10.912 11.370 1.00 0.00 N ATOM 354 CZ ARG A 27 1.942 -11.720 10.480 1.00 0.00 C ATOM 355 NH1 ARG A 27 3.209 -12.016 10.450 1.00 0.00 N ATOM 356 NH2 ARG A 27 1.169 -12.252 9.587 1.00 0.00 N ATOM 0 H ARG A 27 0.962 -6.620 9.989 1.00 0.00 H new ATOM 0 HA ARG A 27 2.584 -6.198 12.395 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.351 -8.390 10.292 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.730 -8.321 11.371 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.103 -8.216 13.334 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.791 -8.469 12.200 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.121 -10.404 12.475 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.657 -10.543 13.428 1.00 0.00 H new ATOM 0 HE ARG A 27 0.394 -10.770 11.282 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.843 -11.615 11.141 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.568 -12.649 9.735 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.171 -12.042 9.586 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.558 -12.881 8.885 1.00 0.00 H new ATOM 370 N LEU A 28 3.500 -5.101 9.568 1.00 0.00 N ATOM 371 CA LEU A 28 4.449 -4.212 8.886 1.00 0.00 C ATOM 372 C LEU A 28 3.808 -2.812 8.751 1.00 0.00 C ATOM 373 O LEU A 28 2.601 -2.712 8.522 1.00 0.00 O ATOM 374 CB LEU A 28 4.813 -4.879 7.538 1.00 0.00 C ATOM 375 CG LEU A 28 6.164 -4.550 6.878 1.00 0.00 C ATOM 376 CD1 LEU A 28 6.365 -3.070 6.610 1.00 0.00 C ATOM 377 CD2 LEU A 28 7.355 -5.007 7.714 1.00 0.00 C ATOM 0 H LEU A 28 2.609 -5.167 9.076 1.00 0.00 H new ATOM 0 HA LEU A 28 5.376 -4.065 9.440 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.774 -5.958 7.685 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.029 -4.626 6.824 1.00 0.00 H new ATOM 0 HG LEU A 28 6.122 -5.094 5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.338 -2.913 6.144 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.581 -2.711 5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.320 -2.521 7.550 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.281 -4.749 7.200 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.329 -4.512 8.685 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.307 -6.087 7.855 1.00 0.00 H new ATOM 389 N SER A 29 4.583 -1.734 8.912 1.00 0.00 N ATOM 390 CA SER A 29 4.079 -0.344 8.856 1.00 0.00 C ATOM 391 C SER A 29 4.118 0.251 7.438 1.00 0.00 C ATOM 392 O SER A 29 4.937 -0.148 6.613 1.00 0.00 O ATOM 393 CB SER A 29 4.855 0.555 9.829 1.00 0.00 C ATOM 394 OG SER A 29 4.649 0.136 11.174 1.00 0.00 O ATOM 0 H SER A 29 5.586 -1.795 9.086 1.00 0.00 H new ATOM 0 HA SER A 29 3.032 -0.384 9.157 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.918 0.523 9.592 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.533 1.590 9.712 1.00 0.00 H new ATOM 0 HG SER A 29 5.153 0.720 11.779 1.00 0.00 H new ATOM 400 N ILE A 30 3.279 1.257 7.174 1.00 0.00 N ATOM 401 CA ILE A 30 3.173 1.965 5.886 1.00 0.00 C ATOM 402 C ILE A 30 4.540 2.474 5.403 1.00 0.00 C ATOM 403 O ILE A 30 4.948 2.184 4.281 1.00 0.00 O ATOM 404 CB ILE A 30 2.183 3.150 6.044 1.00 0.00 C ATOM 405 CG1 ILE A 30 0.739 2.702 6.360 1.00 0.00 C ATOM 406 CG2 ILE A 30 2.183 4.082 4.823 1.00 0.00 C ATOM 407 CD1 ILE A 30 0.021 1.965 5.223 1.00 0.00 C ATOM 0 H ILE A 30 2.630 1.617 7.874 1.00 0.00 H new ATOM 0 HA ILE A 30 2.805 1.267 5.134 1.00 0.00 H new ATOM 0 HB ILE A 30 2.553 3.706 6.905 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.760 2.053 7.236 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.153 3.581 6.629 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.474 4.894 4.985 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.181 4.495 4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.894 3.519 3.936 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.985 1.693 5.544 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.040 2.614 4.350 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.576 1.063 4.966 1.00 0.00 H new ATOM 419 N GLU A 31 5.272 3.207 6.247 1.00 0.00 N ATOM 420 CA GLU A 31 6.546 3.822 5.843 1.00 0.00 C ATOM 421 C GLU A 31 7.710 2.814 5.841 1.00 0.00 C ATOM 422 O GLU A 31 8.678 2.991 5.104 1.00 0.00 O ATOM 423 CB GLU A 31 6.846 5.060 6.704 1.00 0.00 C ATOM 424 CG GLU A 31 5.782 6.153 6.507 1.00 0.00 C ATOM 425 CD GLU A 31 6.149 7.492 7.181 1.00 0.00 C ATOM 426 OE1 GLU A 31 6.740 7.493 8.292 1.00 0.00 O ATOM 427 OE2 GLU A 31 5.811 8.561 6.613 1.00 0.00 O ATOM 0 H GLU A 31 5.007 3.391 7.215 1.00 0.00 H new ATOM 0 HA GLU A 31 6.440 4.154 4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.885 4.773 7.755 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.828 5.456 6.445 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.636 6.320 5.440 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.831 5.801 6.908 1.00 0.00 H new ATOM 434 N GLN A 32 7.595 1.706 6.581 1.00 0.00 N ATOM 435 CA GLN A 32 8.538 0.591 6.523 1.00 0.00 C ATOM 436 C GLN A 32 8.370 -0.202 5.216 1.00 0.00 C ATOM 437 O GLN A 32 9.359 -0.522 4.561 1.00 0.00 O ATOM 438 CB GLN A 32 8.358 -0.289 7.768 1.00 0.00 C ATOM 439 CG GLN A 32 8.913 0.347 9.050 1.00 0.00 C ATOM 440 CD GLN A 32 10.427 0.554 9.003 1.00 0.00 C ATOM 441 OE1 GLN A 32 10.927 1.667 8.874 1.00 0.00 O ATOM 442 NE2 GLN A 32 11.218 -0.494 9.090 1.00 0.00 N ATOM 0 H GLN A 32 6.834 1.559 7.244 1.00 0.00 H new ATOM 0 HA GLN A 32 9.559 0.973 6.522 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.297 -0.499 7.905 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.853 -1.246 7.602 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.425 1.308 9.214 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.664 -0.287 9.901 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.819 -1.427 9.198 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.230 -0.374 9.050 1.00 0.00 H new ATOM 451 N ALA A 33 7.136 -0.432 4.763 1.00 0.00 N ATOM 452 CA ALA A 33 6.873 -1.074 3.474 1.00 0.00 C ATOM 453 C ALA A 33 7.377 -0.230 2.285 1.00 0.00 C ATOM 454 O ALA A 33 7.791 -0.789 1.267 1.00 0.00 O ATOM 455 CB ALA A 33 5.378 -1.395 3.374 1.00 0.00 C ATOM 0 H ALA A 33 6.293 -0.179 5.278 1.00 0.00 H new ATOM 0 HA ALA A 33 7.436 -2.006 3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.172 -1.874 2.417 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.095 -2.067 4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.802 -0.473 3.450 1.00 0.00 H new ATOM 461 N VAL A 34 7.435 1.101 2.424 1.00 0.00 N ATOM 462 CA VAL A 34 8.071 1.990 1.445 1.00 0.00 C ATOM 463 C VAL A 34 9.597 1.929 1.563 1.00 0.00 C ATOM 464 O VAL A 34 10.254 1.761 0.541 1.00 0.00 O ATOM 465 CB VAL A 34 7.543 3.431 1.564 1.00 0.00 C ATOM 466 CG1 VAL A 34 8.249 4.390 0.597 1.00 0.00 C ATOM 467 CG2 VAL A 34 6.045 3.486 1.248 1.00 0.00 C ATOM 0 H VAL A 34 7.039 1.594 3.225 1.00 0.00 H new ATOM 0 HA VAL A 34 7.804 1.638 0.449 1.00 0.00 H new ATOM 0 HB VAL A 34 7.739 3.740 2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.842 5.394 0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.317 4.403 0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.090 4.056 -0.428 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.692 4.513 1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.874 3.131 0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.502 2.853 1.949 1.00 0.00 H new ATOM 477 N THR A 35 10.183 1.986 2.766 1.00 0.00 N ATOM 478 CA THR A 35 11.657 1.996 2.910 1.00 0.00 C ATOM 479 C THR A 35 12.327 0.684 2.474 1.00 0.00 C ATOM 480 O THR A 35 13.453 0.691 1.976 1.00 0.00 O ATOM 481 CB THR A 35 12.104 2.461 4.309 1.00 0.00 C ATOM 482 OG1 THR A 35 13.318 3.177 4.212 1.00 0.00 O ATOM 483 CG2 THR A 35 12.314 1.342 5.328 1.00 0.00 C ATOM 0 H THR A 35 9.672 2.026 3.648 1.00 0.00 H new ATOM 0 HA THR A 35 12.017 2.744 2.204 1.00 0.00 H new ATOM 0 HB THR A 35 11.280 3.076 4.670 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.596 3.471 5.104 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.627 1.771 6.280 1.00 0.00 H new ATOM 0 HG22 THR A 35 11.381 0.795 5.466 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.084 0.660 4.966 1.00 0.00 H new ATOM 491 N LEU A 36 11.615 -0.445 2.572 1.00 0.00 N ATOM 492 CA LEU A 36 12.058 -1.754 2.072 1.00 0.00 C ATOM 493 C LEU A 36 11.880 -1.924 0.546 1.00 0.00 C ATOM 494 O LEU A 36 12.471 -2.840 -0.040 1.00 0.00 O ATOM 495 CB LEU A 36 11.336 -2.860 2.866 1.00 0.00 C ATOM 496 CG LEU A 36 11.624 -2.877 4.382 1.00 0.00 C ATOM 497 CD1 LEU A 36 10.850 -4.017 5.044 1.00 0.00 C ATOM 498 CD2 LEU A 36 13.111 -3.038 4.687 1.00 0.00 C ATOM 0 H LEU A 36 10.695 -0.476 3.011 1.00 0.00 H new ATOM 0 HA LEU A 36 13.133 -1.831 2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.262 -2.749 2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.617 -3.827 2.448 1.00 0.00 H new ATOM 0 HG LEU A 36 11.302 -1.915 4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.057 -4.024 6.114 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.782 -3.874 4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.159 -4.967 4.608 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.262 -3.044 5.766 1.00 0.00 H new ATOM 0 HD22 LEU A 36 13.469 -3.977 4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.664 -2.208 4.248 1.00 0.00 H new ATOM 510 N LEU A 37 11.103 -1.047 -0.102 1.00 0.00 N ATOM 511 CA LEU A 37 10.964 -0.948 -1.557 1.00 0.00 C ATOM 512 C LEU A 37 12.030 0.016 -2.121 1.00 0.00 C ATOM 513 O LEU A 37 12.860 -0.372 -2.949 1.00 0.00 O ATOM 514 CB LEU A 37 9.528 -0.491 -1.867 1.00 0.00 C ATOM 515 CG LEU A 37 8.989 -0.761 -3.284 1.00 0.00 C ATOM 516 CD1 LEU A 37 7.697 0.038 -3.426 1.00 0.00 C ATOM 517 CD2 LEU A 37 9.896 -0.359 -4.446 1.00 0.00 C ATOM 0 H LEU A 37 10.533 -0.362 0.393 1.00 0.00 H new ATOM 0 HA LEU A 37 11.131 -1.912 -2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.859 -0.974 -1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.469 0.582 -1.683 1.00 0.00 H new ATOM 0 HG LEU A 37 8.880 -1.843 -3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.277 -0.123 -4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.982 -0.290 -2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.908 1.099 -3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.406 -0.599 -5.390 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.092 0.712 -4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.838 -0.903 -4.377 1.00 0.00 H new ATOM 529 N THR A 38 12.039 1.260 -1.624 1.00 0.00 N ATOM 530 CA THR A 38 12.985 2.335 -1.944 1.00 0.00 C ATOM 531 C THR A 38 13.363 3.079 -0.646 1.00 0.00 C ATOM 532 O THR A 38 12.484 3.722 -0.056 1.00 0.00 O ATOM 533 CB THR A 38 12.381 3.336 -2.950 1.00 0.00 C ATOM 534 OG1 THR A 38 11.974 2.682 -4.140 1.00 0.00 O ATOM 535 CG2 THR A 38 13.376 4.418 -3.376 1.00 0.00 C ATOM 0 H THR A 38 11.341 1.561 -0.944 1.00 0.00 H new ATOM 0 HA THR A 38 13.870 1.890 -2.399 1.00 0.00 H new ATOM 0 HB THR A 38 11.537 3.787 -2.429 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.593 3.338 -4.760 1.00 0.00 H new ATOM 0 HG21 THR A 38 12.897 5.094 -4.084 1.00 0.00 H new ATOM 0 HG22 THR A 38 13.700 4.980 -2.500 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.241 3.952 -3.848 1.00 0.00 H new ATOM 543 N PRO A 39 14.636 3.046 -0.191 1.00 0.00 N ATOM 544 CA PRO A 39 15.053 3.625 1.093 1.00 0.00 C ATOM 545 C PRO A 39 14.692 5.105 1.281 1.00 0.00 C ATOM 546 O PRO A 39 14.825 5.922 0.363 1.00 0.00 O ATOM 547 CB PRO A 39 16.568 3.398 1.185 1.00 0.00 C ATOM 548 CG PRO A 39 16.741 2.101 0.391 1.00 0.00 C ATOM 549 CD PRO A 39 15.733 2.262 -0.745 1.00 0.00 C ATOM 0 HA PRO A 39 14.508 3.133 1.899 1.00 0.00 H new ATOM 0 HB2 PRO A 39 17.132 4.222 0.749 1.00 0.00 H new ATOM 0 HB3 PRO A 39 16.904 3.293 2.217 1.00 0.00 H new ATOM 0 HG2 PRO A 39 17.758 1.989 0.016 1.00 0.00 H new ATOM 0 HG3 PRO A 39 16.527 1.223 1.000 1.00 0.00 H new ATOM 0 HD2 PRO A 39 16.183 2.768 -1.599 1.00 0.00 H new ATOM 0 HD3 PRO A 39 15.382 1.292 -1.097 1.00 0.00 H new ATOM 557 N ARG A 40 14.244 5.455 2.490 1.00 0.00 N ATOM 558 CA ARG A 40 13.802 6.803 2.890 1.00 0.00 C ATOM 559 C ARG A 40 14.788 7.508 3.832 1.00 0.00 C ATOM 560 O ARG A 40 15.684 6.885 4.417 1.00 0.00 O ATOM 561 CB ARG A 40 12.383 6.730 3.492 1.00 0.00 C ATOM 562 CG ARG A 40 11.303 6.182 2.534 1.00 0.00 C ATOM 563 CD ARG A 40 11.236 6.873 1.164 1.00 0.00 C ATOM 564 NE ARG A 40 11.078 8.336 1.289 1.00 0.00 N ATOM 565 CZ ARG A 40 11.810 9.284 0.738 1.00 0.00 C ATOM 566 NH1 ARG A 40 12.810 9.039 -0.057 1.00 0.00 N ATOM 567 NH2 ARG A 40 11.531 10.525 1.009 1.00 0.00 N ATOM 0 H ARG A 40 14.175 4.781 3.253 1.00 0.00 H new ATOM 0 HA ARG A 40 13.774 7.420 1.992 1.00 0.00 H new ATOM 0 HB2 ARG A 40 12.413 6.101 4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.089 7.728 3.816 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.483 5.118 2.379 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.330 6.273 3.018 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.144 6.653 0.602 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.402 6.466 0.593 1.00 0.00 H new ATOM 0 HE ARG A 40 10.306 8.653 1.875 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.060 8.076 -0.280 1.00 0.00 H new ATOM 0 HH12 ARG A 40 13.344 9.810 -0.457 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.759 10.749 1.637 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.084 11.275 0.594 1.00 0.00 H new ATOM 581 N ARG A 41 14.610 8.829 3.969 1.00 0.00 N ATOM 582 CA ARG A 41 15.437 9.758 4.770 1.00 0.00 C ATOM 583 C ARG A 41 14.573 10.541 5.775 1.00 0.00 C ATOM 584 O ARG A 41 13.342 10.441 5.751 1.00 0.00 O ATOM 585 CB ARG A 41 16.202 10.675 3.789 1.00 0.00 C ATOM 586 CG ARG A 41 17.589 11.139 4.263 1.00 0.00 C ATOM 587 CD ARG A 41 18.618 10.004 4.397 1.00 0.00 C ATOM 588 NE ARG A 41 18.906 9.357 3.102 1.00 0.00 N ATOM 589 CZ ARG A 41 19.535 8.209 2.910 1.00 0.00 C ATOM 590 NH1 ARG A 41 20.002 7.494 3.898 1.00 0.00 N ATOM 591 NH2 ARG A 41 19.722 7.758 1.702 1.00 0.00 N ATOM 0 H ARG A 41 13.843 9.311 3.500 1.00 0.00 H new ATOM 0 HA ARG A 41 16.160 9.210 5.375 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.318 10.148 2.842 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.591 11.556 3.591 1.00 0.00 H new ATOM 0 HG2 ARG A 41 17.971 11.881 3.562 1.00 0.00 H new ATOM 0 HG3 ARG A 41 17.484 11.636 5.227 1.00 0.00 H new ATOM 0 HD2 ARG A 41 19.542 10.401 4.816 1.00 0.00 H new ATOM 0 HD3 ARG A 41 18.245 9.258 5.099 1.00 0.00 H new ATOM 0 HE ARG A 41 18.586 9.847 2.266 1.00 0.00 H new ATOM 0 HH11 ARG A 41 19.887 7.816 4.859 1.00 0.00 H new ATOM 0 HH12 ARG A 41 20.481 6.614 3.709 1.00 0.00 H new ATOM 0 HH21 ARG A 41 19.383 8.290 0.901 1.00 0.00 H new ATOM 0 HH22 ARG A 41 20.207 6.873 1.558 1.00 0.00 H new ATOM 605 N GLY A 42 15.205 11.319 6.658 1.00 0.00 N ATOM 606 CA GLY A 42 14.527 12.165 7.657 1.00 0.00 C ATOM 607 C GLY A 42 13.618 13.250 7.045 1.00 0.00 C ATOM 608 O GLY A 42 13.832 13.692 5.909 1.00 0.00 O ATOM 0 H GLY A 42 16.222 11.383 6.703 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.929 11.530 8.310 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.280 12.646 8.282 1.00 0.00 H new ATOM 612 N GLY A 43 12.603 13.679 7.797 1.00 0.00 N ATOM 613 CA GLY A 43 11.513 14.542 7.315 1.00 0.00 C ATOM 614 C GLY A 43 10.430 13.783 6.524 1.00 0.00 C ATOM 615 O GLY A 43 10.480 12.559 6.363 1.00 0.00 O ATOM 0 H GLY A 43 12.510 13.432 8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.048 15.037 8.168 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.933 15.324 6.682 1.00 0.00 H new ATOM 619 N GLY A 44 9.428 14.521 6.034 1.00 0.00 N ATOM 620 CA GLY A 44 8.290 13.972 5.284 1.00 0.00 C ATOM 621 C GLY A 44 8.617 13.534 3.841 1.00 0.00 C ATOM 622 O GLY A 44 9.568 14.028 3.221 1.00 0.00 O ATOM 0 H GLY A 44 9.383 15.534 6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.894 13.115 5.828 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.499 14.721 5.251 1.00 0.00 H new ATOM 626 N SER A 45 7.790 12.636 3.294 1.00 0.00 N ATOM 627 CA SER A 45 7.883 12.107 1.915 1.00 0.00 C ATOM 628 C SER A 45 6.742 12.569 0.984 1.00 0.00 C ATOM 629 O SER A 45 6.680 12.137 -0.169 1.00 0.00 O ATOM 630 CB SER A 45 7.992 10.572 1.937 1.00 0.00 C ATOM 631 OG SER A 45 9.150 10.161 2.646 1.00 0.00 O ATOM 0 H SER A 45 7.007 12.239 3.813 1.00 0.00 H new ATOM 0 HA SER A 45 8.792 12.531 1.489 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.104 10.146 2.404 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.030 10.191 0.917 1.00 0.00 H new ATOM 0 HG SER A 45 8.938 9.375 3.192 1.00 0.00 H new ATOM 637 N GLY A 46 5.842 13.445 1.454 1.00 0.00 N ATOM 638 CA GLY A 46 4.736 14.008 0.665 1.00 0.00 C ATOM 639 C GLY A 46 3.543 13.062 0.440 1.00 0.00 C ATOM 640 O GLY A 46 3.412 12.016 1.081 1.00 0.00 O ATOM 0 H GLY A 46 5.863 13.789 2.414 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.376 14.908 1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.124 14.315 -0.306 1.00 0.00 H new ATOM 644 N GLY A 47 2.660 13.454 -0.478 1.00 0.00 N ATOM 645 CA GLY A 47 1.426 12.743 -0.837 1.00 0.00 C ATOM 646 C GLY A 47 0.589 13.496 -1.880 1.00 0.00 C ATOM 647 O GLY A 47 1.060 14.466 -2.488 1.00 0.00 O ATOM 0 H GLY A 47 2.787 14.311 -1.016 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.680 11.756 -1.225 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.827 12.588 0.060 1.00 0.00 H new ATOM 651 N GLY A 48 -0.656 13.060 -2.099 1.00 0.00 N ATOM 652 CA GLY A 48 -1.576 13.637 -3.092 1.00 0.00 C ATOM 653 C GLY A 48 -1.368 13.122 -4.527 1.00 0.00 C ATOM 654 O GLY A 48 -1.863 13.726 -5.482 1.00 0.00 O ATOM 0 H GLY A 48 -1.063 12.281 -1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.600 13.423 -2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.462 14.721 -3.088 1.00 0.00 H new ATOM 658 N SER A 49 -0.610 12.034 -4.686 1.00 0.00 N ATOM 659 CA SER A 49 -0.296 11.346 -5.950 1.00 0.00 C ATOM 660 C SER A 49 0.022 9.867 -5.676 1.00 0.00 C ATOM 661 O SER A 49 0.207 9.472 -4.519 1.00 0.00 O ATOM 662 CB SER A 49 0.891 12.042 -6.634 1.00 0.00 C ATOM 663 OG SER A 49 1.037 11.584 -7.972 1.00 0.00 O ATOM 0 H SER A 49 -0.169 11.578 -3.887 1.00 0.00 H new ATOM 0 HA SER A 49 -1.158 11.393 -6.615 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.739 13.121 -6.628 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.806 11.846 -6.075 1.00 0.00 H new ATOM 0 HG SER A 49 1.796 12.039 -8.392 1.00 0.00 H new ATOM 669 N MET A 50 0.107 9.035 -6.718 1.00 0.00 N ATOM 670 CA MET A 50 0.320 7.579 -6.637 1.00 0.00 C ATOM 671 C MET A 50 1.784 7.190 -6.360 1.00 0.00 C ATOM 672 O MET A 50 2.400 6.385 -7.060 1.00 0.00 O ATOM 673 CB MET A 50 -0.271 6.863 -7.867 1.00 0.00 C ATOM 674 CG MET A 50 -1.793 7.045 -8.020 1.00 0.00 C ATOM 675 SD MET A 50 -2.344 8.633 -8.706 1.00 0.00 S ATOM 676 CE MET A 50 -4.141 8.396 -8.633 1.00 0.00 C ATOM 0 H MET A 50 0.027 9.365 -7.680 1.00 0.00 H new ATOM 0 HA MET A 50 -0.229 7.228 -5.763 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.222 7.236 -8.765 1.00 0.00 H new ATOM 0 HB3 MET A 50 -0.047 5.799 -7.799 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.171 6.246 -8.658 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.254 6.916 -7.041 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.641 9.284 -9.020 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.419 7.532 -9.236 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.444 8.230 -7.599 1.00 0.00 H new ATOM 686 N ASP A 51 2.344 7.778 -5.309 1.00 0.00 N ATOM 687 CA ASP A 51 3.566 7.330 -4.634 1.00 0.00 C ATOM 688 C ASP A 51 3.340 6.008 -3.879 1.00 0.00 C ATOM 689 O ASP A 51 2.209 5.685 -3.493 1.00 0.00 O ATOM 690 CB ASP A 51 4.032 8.423 -3.670 1.00 0.00 C ATOM 691 CG ASP A 51 4.203 9.802 -4.333 1.00 0.00 C ATOM 692 OD1 ASP A 51 5.105 9.947 -5.196 1.00 0.00 O ATOM 693 OD2 ASP A 51 3.461 10.747 -3.973 1.00 0.00 O ATOM 0 H ASP A 51 1.946 8.615 -4.883 1.00 0.00 H new ATOM 0 HA ASP A 51 4.335 7.147 -5.385 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.312 8.508 -2.856 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.981 8.123 -3.226 1.00 0.00 H new ATOM 698 N ALA A 52 4.419 5.267 -3.598 1.00 0.00 N ATOM 699 CA ALA A 52 4.368 3.994 -2.868 1.00 0.00 C ATOM 700 C ALA A 52 3.644 4.115 -1.517 1.00 0.00 C ATOM 701 O ALA A 52 2.859 3.235 -1.166 1.00 0.00 O ATOM 702 CB ALA A 52 5.803 3.475 -2.672 1.00 0.00 C ATOM 0 H ALA A 52 5.363 5.538 -3.874 1.00 0.00 H new ATOM 0 HA ALA A 52 3.790 3.285 -3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.777 2.529 -2.131 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.271 3.324 -3.645 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.379 4.204 -2.102 1.00 0.00 H new ATOM 708 N LYS A 53 3.839 5.224 -0.784 1.00 0.00 N ATOM 709 CA LYS A 53 3.165 5.458 0.503 1.00 0.00 C ATOM 710 C LYS A 53 1.650 5.595 0.359 1.00 0.00 C ATOM 711 O LYS A 53 0.913 5.043 1.172 1.00 0.00 O ATOM 712 CB LYS A 53 3.733 6.695 1.204 1.00 0.00 C ATOM 713 CG LYS A 53 3.393 6.634 2.705 1.00 0.00 C ATOM 714 CD LYS A 53 3.371 8.019 3.344 1.00 0.00 C ATOM 715 CE LYS A 53 2.922 7.893 4.805 1.00 0.00 C ATOM 716 NZ LYS A 53 3.246 9.111 5.587 1.00 0.00 N ATOM 0 H LYS A 53 4.465 5.979 -1.065 1.00 0.00 H new ATOM 0 HA LYS A 53 3.359 4.576 1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.813 6.741 1.066 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.317 7.600 0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.421 6.159 2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.125 6.010 3.217 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.361 8.472 3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.692 8.674 2.798 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.848 7.713 4.841 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.405 7.029 5.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.564 9.215 6.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.207 9.028 5.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.195 9.945 4.968 1.00 0.00 H new ATOM 730 N GLU A 54 1.165 6.296 -0.663 1.00 0.00 N ATOM 731 CA GLU A 54 -0.280 6.448 -0.877 1.00 0.00 C ATOM 732 C GLU A 54 -0.914 5.144 -1.386 1.00 0.00 C ATOM 733 O GLU A 54 -2.008 4.780 -0.954 1.00 0.00 O ATOM 734 CB GLU A 54 -0.566 7.629 -1.817 1.00 0.00 C ATOM 735 CG GLU A 54 -2.042 8.034 -1.712 1.00 0.00 C ATOM 736 CD GLU A 54 -2.385 9.281 -2.541 1.00 0.00 C ATOM 737 OE1 GLU A 54 -2.022 10.409 -2.126 1.00 0.00 O ATOM 738 OE2 GLU A 54 -3.094 9.138 -3.567 1.00 0.00 O ATOM 0 H GLU A 54 1.746 6.768 -1.356 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.744 6.669 0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.071 8.474 -1.558 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.328 7.353 -2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.665 7.203 -2.042 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.288 8.221 -0.667 1.00 0.00 H new ATOM 745 N ILE A 55 -0.196 4.377 -2.213 1.00 0.00 N ATOM 746 CA ILE A 55 -0.581 3.015 -2.614 1.00 0.00 C ATOM 747 C ILE A 55 -0.701 2.106 -1.381 1.00 0.00 C ATOM 748 O ILE A 55 -1.708 1.417 -1.214 1.00 0.00 O ATOM 749 CB ILE A 55 0.426 2.467 -3.650 1.00 0.00 C ATOM 750 CG1 ILE A 55 0.359 3.271 -4.971 1.00 0.00 C ATOM 751 CG2 ILE A 55 0.156 0.980 -3.939 1.00 0.00 C ATOM 752 CD1 ILE A 55 1.633 3.143 -5.817 1.00 0.00 C ATOM 0 H ILE A 55 0.682 4.687 -2.630 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.562 3.039 -3.089 1.00 0.00 H new ATOM 0 HB ILE A 55 1.424 2.573 -3.225 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.495 2.928 -5.556 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.186 4.322 -4.741 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.877 0.615 -4.671 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.253 0.407 -3.017 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.853 0.864 -4.334 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.524 3.729 -6.730 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.486 3.513 -5.248 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.795 2.096 -6.075 1.00 0.00 H new ATOM 764 N LEU A 56 0.270 2.157 -0.462 1.00 0.00 N ATOM 765 CA LEU A 56 0.219 1.456 0.827 1.00 0.00 C ATOM 766 C LEU A 56 -0.948 1.938 1.699 1.00 0.00 C ATOM 767 O LEU A 56 -1.662 1.111 2.264 1.00 0.00 O ATOM 768 CB LEU A 56 1.554 1.644 1.591 1.00 0.00 C ATOM 769 CG LEU A 56 2.555 0.482 1.569 1.00 0.00 C ATOM 770 CD1 LEU A 56 1.929 -0.856 1.958 1.00 0.00 C ATOM 771 CD2 LEU A 56 3.243 0.305 0.226 1.00 0.00 C ATOM 0 H LEU A 56 1.127 2.695 -0.595 1.00 0.00 H new ATOM 0 HA LEU A 56 0.062 0.399 0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.052 2.524 1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.317 1.864 2.632 1.00 0.00 H new ATOM 0 HG LEU A 56 3.296 0.767 2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.689 -1.637 1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.524 -0.788 2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.127 -1.099 1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.937 -0.534 0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.496 0.108 -0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.790 1.214 -0.025 1.00 0.00 H new ATOM 783 N THR A 57 -1.180 3.253 1.798 1.00 0.00 N ATOM 784 CA THR A 57 -2.294 3.818 2.581 1.00 0.00 C ATOM 785 C THR A 57 -3.653 3.315 2.077 1.00 0.00 C ATOM 786 O THR A 57 -4.464 2.831 2.868 1.00 0.00 O ATOM 787 CB THR A 57 -2.239 5.357 2.587 1.00 0.00 C ATOM 788 OG1 THR A 57 -1.017 5.808 3.134 1.00 0.00 O ATOM 789 CG2 THR A 57 -3.338 5.991 3.440 1.00 0.00 C ATOM 0 H THR A 57 -0.603 3.958 1.339 1.00 0.00 H new ATOM 0 HA THR A 57 -2.181 3.472 3.608 1.00 0.00 H new ATOM 0 HB THR A 57 -2.361 5.651 1.545 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.283 5.586 2.523 1.00 0.00 H new ATOM 0 HG21 THR A 57 -3.246 7.077 3.404 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.314 5.697 3.054 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.239 5.653 4.471 1.00 0.00 H new ATOM 797 N ARG A 58 -3.891 3.340 0.756 1.00 0.00 N ATOM 798 CA ARG A 58 -5.111 2.810 0.107 1.00 0.00 C ATOM 799 C ARG A 58 -5.284 1.302 0.331 1.00 0.00 C ATOM 800 O ARG A 58 -6.405 0.834 0.531 1.00 0.00 O ATOM 801 CB ARG A 58 -5.071 3.109 -1.405 1.00 0.00 C ATOM 802 CG ARG A 58 -5.178 4.606 -1.752 1.00 0.00 C ATOM 803 CD ARG A 58 -4.811 4.827 -3.228 1.00 0.00 C ATOM 804 NE ARG A 58 -4.809 6.263 -3.590 1.00 0.00 N ATOM 805 CZ ARG A 58 -5.803 6.982 -4.076 1.00 0.00 C ATOM 806 NH1 ARG A 58 -6.984 6.480 -4.306 1.00 0.00 N ATOM 807 NH2 ARG A 58 -5.614 8.241 -4.338 1.00 0.00 N ATOM 0 H ARG A 58 -3.228 3.737 0.090 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.965 3.309 0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.142 2.717 -1.818 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.887 2.575 -1.892 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.191 4.961 -1.563 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.513 5.185 -1.112 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.827 4.402 -3.424 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.520 4.294 -3.862 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.929 6.758 -3.446 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.167 5.496 -4.109 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.725 7.071 -4.682 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.703 8.666 -4.168 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.377 8.804 -4.714 1.00 0.00 H new ATOM 821 N PHE A 59 -4.189 0.548 0.344 1.00 0.00 N ATOM 822 CA PHE A 59 -4.185 -0.898 0.569 1.00 0.00 C ATOM 823 C PHE A 59 -4.436 -1.295 2.031 1.00 0.00 C ATOM 824 O PHE A 59 -5.196 -2.229 2.289 1.00 0.00 O ATOM 825 CB PHE A 59 -2.857 -1.456 0.047 1.00 0.00 C ATOM 826 CG PHE A 59 -2.722 -2.945 0.240 1.00 0.00 C ATOM 827 CD1 PHE A 59 -3.532 -3.832 -0.498 1.00 0.00 C ATOM 828 CD2 PHE A 59 -1.827 -3.443 1.200 1.00 0.00 C ATOM 829 CE1 PHE A 59 -3.466 -5.211 -0.248 1.00 0.00 C ATOM 830 CE2 PHE A 59 -1.735 -4.828 1.411 1.00 0.00 C ATOM 831 CZ PHE A 59 -2.561 -5.715 0.700 1.00 0.00 C ATOM 0 H PHE A 59 -3.256 0.933 0.195 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.021 -1.334 0.023 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.765 -1.224 -1.014 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.034 -0.954 0.556 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.202 -3.451 -1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.213 -2.764 1.773 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.113 -5.887 -0.787 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.024 -5.215 2.126 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.500 -6.778 0.882 1.00 0.00 H new ATOM 841 N LYS A 60 -3.862 -0.573 3.003 1.00 0.00 N ATOM 842 CA LYS A 60 -4.094 -0.844 4.436 1.00 0.00 C ATOM 843 C LYS A 60 -5.491 -0.396 4.896 1.00 0.00 C ATOM 844 O LYS A 60 -6.113 -1.055 5.728 1.00 0.00 O ATOM 845 CB LYS A 60 -2.978 -0.207 5.271 1.00 0.00 C ATOM 846 CG LYS A 60 -2.971 -0.762 6.710 1.00 0.00 C ATOM 847 CD LYS A 60 -1.817 -0.186 7.536 1.00 0.00 C ATOM 848 CE LYS A 60 -1.713 -0.835 8.926 1.00 0.00 C ATOM 849 NZ LYS A 60 -2.824 -0.419 9.818 1.00 0.00 N ATOM 0 H LYS A 60 -3.230 0.208 2.826 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.066 -1.923 4.589 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.014 -0.398 4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.111 0.875 5.296 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.918 -0.526 7.195 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.890 -1.849 6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.880 -0.332 6.998 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.955 0.889 7.649 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.719 -1.920 8.821 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.761 -0.564 9.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.716 -0.879 10.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.804 0.614 9.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.732 -0.700 9.396 1.00 0.00 H new ATOM 863 N ASP A 61 -6.024 0.679 4.305 1.00 0.00 N ATOM 864 CA ASP A 61 -7.422 1.115 4.471 1.00 0.00 C ATOM 865 C ASP A 61 -8.443 0.131 3.847 1.00 0.00 C ATOM 866 O ASP A 61 -9.631 0.167 4.170 1.00 0.00 O ATOM 867 CB ASP A 61 -7.565 2.517 3.859 1.00 0.00 C ATOM 868 CG ASP A 61 -8.956 3.136 4.099 1.00 0.00 C ATOM 869 OD1 ASP A 61 -9.308 3.391 5.276 1.00 0.00 O ATOM 870 OD2 ASP A 61 -9.677 3.409 3.110 1.00 0.00 O ATOM 0 H ASP A 61 -5.488 1.285 3.684 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.651 1.137 5.536 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.803 3.172 4.282 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.378 2.461 2.787 1.00 0.00 H new ATOM 875 N GLY A 62 -7.985 -0.772 2.971 1.00 0.00 N ATOM 876 CA GLY A 62 -8.814 -1.791 2.313 1.00 0.00 C ATOM 877 C GLY A 62 -9.559 -1.305 1.062 1.00 0.00 C ATOM 878 O GLY A 62 -10.353 -2.061 0.495 1.00 0.00 O ATOM 0 H GLY A 62 -7.005 -0.816 2.693 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.179 -2.633 2.037 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.544 -2.165 3.031 1.00 0.00 H new ATOM 882 N GLY A 63 -9.312 -0.072 0.609 1.00 0.00 N ATOM 883 CA GLY A 63 -9.852 0.476 -0.644 1.00 0.00 C ATOM 884 C GLY A 63 -9.174 -0.079 -1.903 1.00 0.00 C ATOM 885 O GLY A 63 -9.790 -0.089 -2.972 1.00 0.00 O ATOM 0 H GLY A 63 -8.719 0.588 1.112 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.920 0.262 -0.693 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.744 1.561 -0.632 1.00 0.00 H new ATOM 889 N LEU A 64 -7.933 -0.567 -1.784 1.00 0.00 N ATOM 890 CA LEU A 64 -7.156 -1.215 -2.847 1.00 0.00 C ATOM 891 C LEU A 64 -7.094 -2.741 -2.634 1.00 0.00 C ATOM 892 O LEU A 64 -6.949 -3.209 -1.501 1.00 0.00 O ATOM 893 CB LEU A 64 -5.748 -0.580 -2.879 1.00 0.00 C ATOM 894 CG LEU A 64 -4.994 -0.681 -4.212 1.00 0.00 C ATOM 895 CD1 LEU A 64 -5.622 0.208 -5.283 1.00 0.00 C ATOM 896 CD2 LEU A 64 -3.553 -0.207 -4.015 1.00 0.00 C ATOM 0 H LEU A 64 -7.420 -0.518 -0.904 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.640 -1.058 -3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.840 0.474 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.142 -1.050 -2.105 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.037 -1.722 -4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.061 0.110 -6.212 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.655 -0.097 -5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.599 1.247 -4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.014 -0.277 -4.960 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.554 0.828 -3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.062 -0.834 -3.270 1.00 0.00 H new ATOM 908 N ASP A 65 -7.154 -3.513 -3.717 1.00 0.00 N ATOM 909 CA ASP A 65 -6.898 -4.965 -3.711 1.00 0.00 C ATOM 910 C ASP A 65 -5.395 -5.263 -3.850 1.00 0.00 C ATOM 911 O ASP A 65 -4.616 -4.428 -4.329 1.00 0.00 O ATOM 912 CB ASP A 65 -7.699 -5.682 -4.814 1.00 0.00 C ATOM 913 CG ASP A 65 -7.486 -5.061 -6.196 1.00 0.00 C ATOM 914 OD1 ASP A 65 -8.228 -4.119 -6.567 1.00 0.00 O ATOM 915 OD2 ASP A 65 -6.571 -5.534 -6.909 1.00 0.00 O ATOM 0 H ASP A 65 -7.385 -3.149 -4.641 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.234 -5.351 -2.749 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.409 -6.732 -4.843 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.760 -5.651 -4.566 1.00 0.00 H new ATOM 920 N ARG A 66 -4.959 -6.461 -3.434 1.00 0.00 N ATOM 921 CA ARG A 66 -3.528 -6.823 -3.435 1.00 0.00 C ATOM 922 C ARG A 66 -2.945 -6.920 -4.849 1.00 0.00 C ATOM 923 O ARG A 66 -1.797 -6.545 -5.048 1.00 0.00 O ATOM 924 CB ARG A 66 -3.309 -8.103 -2.609 1.00 0.00 C ATOM 925 CG ARG A 66 -1.869 -8.180 -2.078 1.00 0.00 C ATOM 926 CD ARG A 66 -1.687 -9.251 -0.985 1.00 0.00 C ATOM 927 NE ARG A 66 -1.635 -10.615 -1.540 1.00 0.00 N ATOM 928 CZ ARG A 66 -2.595 -11.508 -1.675 1.00 0.00 C ATOM 929 NH1 ARG A 66 -3.832 -11.285 -1.350 1.00 0.00 N ATOM 930 NH2 ARG A 66 -2.276 -12.676 -2.150 1.00 0.00 N ATOM 0 H ARG A 66 -5.575 -7.198 -3.092 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.973 -6.016 -2.956 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.009 -8.125 -1.774 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.520 -8.977 -3.225 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.193 -8.395 -2.906 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.583 -7.208 -1.677 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.769 -9.051 -0.433 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.509 -9.182 -0.272 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.717 -10.913 -1.870 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.103 -10.379 -0.967 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.532 -12.016 -1.477 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.309 -12.876 -2.404 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.993 -13.392 -2.268 1.00 0.00 H new ATOM 944 N ALA A 67 -3.743 -7.325 -5.841 1.00 0.00 N ATOM 945 CA ALA A 67 -3.321 -7.397 -7.241 1.00 0.00 C ATOM 946 C ALA A 67 -2.985 -6.003 -7.820 1.00 0.00 C ATOM 947 O ALA A 67 -1.933 -5.823 -8.435 1.00 0.00 O ATOM 948 CB ALA A 67 -4.413 -8.114 -8.046 1.00 0.00 C ATOM 0 H ALA A 67 -4.710 -7.615 -5.692 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.395 -7.969 -7.309 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.113 -8.175 -9.092 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.556 -9.119 -7.650 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.347 -7.557 -7.969 1.00 0.00 H new ATOM 954 N ALA A 68 -3.823 -4.996 -7.559 1.00 0.00 N ATOM 955 CA ALA A 68 -3.550 -3.598 -7.899 1.00 0.00 C ATOM 956 C ALA A 68 -2.383 -3.025 -7.077 1.00 0.00 C ATOM 957 O ALA A 68 -1.544 -2.321 -7.637 1.00 0.00 O ATOM 958 CB ALA A 68 -4.832 -2.780 -7.708 1.00 0.00 C ATOM 0 H ALA A 68 -4.723 -5.132 -7.099 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.241 -3.541 -8.943 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.639 -1.737 -7.959 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.614 -3.171 -8.359 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.157 -2.849 -6.670 1.00 0.00 H new ATOM 964 N ALA A 69 -2.276 -3.358 -5.784 1.00 0.00 N ATOM 965 CA ALA A 69 -1.153 -2.925 -4.948 1.00 0.00 C ATOM 966 C ALA A 69 0.198 -3.427 -5.496 1.00 0.00 C ATOM 967 O ALA A 69 1.124 -2.633 -5.647 1.00 0.00 O ATOM 968 CB ALA A 69 -1.393 -3.372 -3.501 1.00 0.00 C ATOM 0 H ALA A 69 -2.961 -3.931 -5.292 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.097 -1.837 -4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.558 -3.051 -2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.316 -2.925 -3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.476 -4.458 -3.465 1.00 0.00 H new ATOM 974 N GLN A 70 0.294 -4.700 -5.898 1.00 0.00 N ATOM 975 CA GLN A 70 1.485 -5.240 -6.571 1.00 0.00 C ATOM 976 C GLN A 70 1.768 -4.539 -7.912 1.00 0.00 C ATOM 977 O GLN A 70 2.923 -4.225 -8.197 1.00 0.00 O ATOM 978 CB GLN A 70 1.333 -6.748 -6.826 1.00 0.00 C ATOM 979 CG GLN A 70 1.287 -7.602 -5.556 1.00 0.00 C ATOM 980 CD GLN A 70 0.824 -9.026 -5.858 1.00 0.00 C ATOM 981 OE1 GLN A 70 -0.339 -9.288 -6.123 1.00 0.00 O ATOM 982 NE2 GLN A 70 1.698 -10.011 -5.857 1.00 0.00 N ATOM 0 H GLN A 70 -0.450 -5.385 -5.767 1.00 0.00 H new ATOM 0 HA GLN A 70 2.324 -5.056 -5.900 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.420 -6.918 -7.397 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.164 -7.085 -7.446 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.276 -7.629 -5.098 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.613 -7.144 -4.832 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.677 -9.824 -5.640 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.396 -10.961 -6.074 1.00 0.00 H new ATOM 991 N ALA A 71 0.736 -4.254 -8.718 1.00 0.00 N ATOM 992 CA ALA A 71 0.893 -3.624 -10.027 1.00 0.00 C ATOM 993 C ALA A 71 1.468 -2.209 -9.891 1.00 0.00 C ATOM 994 O ALA A 71 2.446 -1.859 -10.550 1.00 0.00 O ATOM 995 CB ALA A 71 -0.477 -3.591 -10.721 1.00 0.00 C ATOM 0 H ALA A 71 -0.234 -4.457 -8.475 1.00 0.00 H new ATOM 0 HA ALA A 71 1.596 -4.202 -10.627 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.378 -3.123 -11.701 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.849 -4.609 -10.841 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.178 -3.018 -10.115 1.00 0.00 H new ATOM 1001 N LEU A 72 0.886 -1.422 -8.989 1.00 0.00 N ATOM 1002 CA LEU A 72 1.197 -0.017 -8.773 1.00 0.00 C ATOM 1003 C LEU A 72 2.546 0.189 -8.074 1.00 0.00 C ATOM 1004 O LEU A 72 3.310 1.075 -8.452 1.00 0.00 O ATOM 1005 CB LEU A 72 0.026 0.595 -7.978 1.00 0.00 C ATOM 1006 CG LEU A 72 -1.286 0.640 -8.782 1.00 0.00 C ATOM 1007 CD1 LEU A 72 -2.464 0.976 -7.874 1.00 0.00 C ATOM 1008 CD2 LEU A 72 -1.190 1.680 -9.889 1.00 0.00 C ATOM 0 H LEU A 72 0.155 -1.763 -8.365 1.00 0.00 H new ATOM 0 HA LEU A 72 1.306 0.489 -9.732 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.131 0.015 -7.068 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.292 1.606 -7.670 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.447 -0.344 -9.221 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.381 1.003 -8.463 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.553 0.216 -7.098 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.301 1.950 -7.412 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.124 1.702 -10.450 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.007 2.661 -9.451 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.370 1.423 -10.560 1.00 0.00 H new ATOM 1020 N LEU A 73 2.894 -0.681 -7.121 1.00 0.00 N ATOM 1021 CA LEU A 73 4.226 -0.711 -6.491 1.00 0.00 C ATOM 1022 C LEU A 73 5.339 -1.159 -7.454 1.00 0.00 C ATOM 1023 O LEU A 73 6.460 -0.651 -7.386 1.00 0.00 O ATOM 1024 CB LEU A 73 4.195 -1.600 -5.237 1.00 0.00 C ATOM 1025 CG LEU A 73 3.400 -1.016 -4.045 1.00 0.00 C ATOM 1026 CD1 LEU A 73 3.463 -1.984 -2.862 1.00 0.00 C ATOM 1027 CD2 LEU A 73 3.893 0.353 -3.571 1.00 0.00 C ATOM 0 H LEU A 73 2.258 -1.391 -6.759 1.00 0.00 H new ATOM 0 HA LEU A 73 4.468 0.312 -6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.765 -2.565 -5.504 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.220 -1.786 -4.915 1.00 0.00 H new ATOM 0 HG LEU A 73 2.381 -0.882 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.902 -1.571 -2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.030 -2.941 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.502 -2.131 -2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.282 0.690 -2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.933 0.275 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.816 1.070 -4.388 1.00 0.00 H new ATOM 1039 N ALA A 74 5.033 -2.061 -8.390 1.00 0.00 N ATOM 1040 CA ALA A 74 5.921 -2.426 -9.501 1.00 0.00 C ATOM 1041 C ALA A 74 5.962 -1.376 -10.641 1.00 0.00 C ATOM 1042 O ALA A 74 6.710 -1.543 -11.608 1.00 0.00 O ATOM 1043 CB ALA A 74 5.519 -3.814 -10.010 1.00 0.00 C ATOM 0 H ALA A 74 4.148 -2.567 -8.399 1.00 0.00 H new ATOM 0 HA ALA A 74 6.943 -2.450 -9.123 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.169 -4.101 -10.836 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.616 -4.540 -9.203 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.485 -3.790 -10.354 1.00 0.00 H new ATOM 1049 N GLY A 75 5.176 -0.294 -10.550 1.00 0.00 N ATOM 1050 CA GLY A 75 5.138 0.815 -11.524 1.00 0.00 C ATOM 1051 C GLY A 75 4.274 0.578 -12.774 1.00 0.00 C ATOM 1052 O GLY A 75 4.299 1.401 -13.693 1.00 0.00 O ATOM 0 H GLY A 75 4.528 -0.159 -9.774 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.772 1.707 -11.016 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.158 1.027 -11.845 1.00 0.00 H new ATOM 1056 N ARG A 76 3.504 -0.520 -12.833 1.00 0.00 N ATOM 1057 CA ARG A 76 2.552 -0.847 -13.907 1.00 0.00 C ATOM 1058 C ARG A 76 1.171 -0.205 -13.684 1.00 0.00 C ATOM 1059 O ARG A 76 0.857 0.279 -12.595 1.00 0.00 O ATOM 1060 CB ARG A 76 2.422 -2.383 -14.006 1.00 0.00 C ATOM 1061 CG ARG A 76 2.353 -2.853 -15.465 1.00 0.00 C ATOM 1062 CD ARG A 76 1.630 -4.190 -15.641 1.00 0.00 C ATOM 1063 NE ARG A 76 0.161 -4.015 -15.614 1.00 0.00 N ATOM 1064 CZ ARG A 76 -0.729 -4.538 -16.440 1.00 0.00 C ATOM 1065 NH1 ARG A 76 -0.408 -5.369 -17.394 1.00 0.00 N ATOM 1066 NH2 ARG A 76 -1.988 -4.244 -16.319 1.00 0.00 N ATOM 0 H ARG A 76 3.528 -1.233 -12.104 1.00 0.00 H new ATOM 0 HA ARG A 76 2.938 -0.438 -14.841 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.272 -2.853 -13.512 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.526 -2.707 -13.476 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.846 -2.093 -16.060 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.366 -2.942 -15.858 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.927 -4.645 -16.586 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.931 -4.876 -14.849 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.208 -3.421 -14.871 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.566 -5.641 -17.527 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.131 -5.746 -18.007 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.295 -3.607 -15.584 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.670 -4.650 -16.959 1.00 0.00 H new ATOM 1080 N THR A 77 0.312 -0.262 -14.700 1.00 0.00 N ATOM 1081 CA THR A 77 -1.130 0.021 -14.577 1.00 0.00 C ATOM 1082 C THR A 77 -1.874 -1.131 -13.867 1.00 0.00 C ATOM 1083 O THR A 77 -1.399 -2.274 -13.927 1.00 0.00 O ATOM 1084 CB THR A 77 -1.768 0.258 -15.956 1.00 0.00 C ATOM 1085 OG1 THR A 77 -1.427 -0.797 -16.844 1.00 0.00 O ATOM 1086 CG2 THR A 77 -1.280 1.564 -16.579 1.00 0.00 C ATOM 0 H THR A 77 0.595 -0.509 -15.648 1.00 0.00 H new ATOM 0 HA THR A 77 -1.224 0.926 -13.976 1.00 0.00 H new ATOM 0 HB THR A 77 -2.847 0.304 -15.805 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.840 -0.636 -17.718 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.750 1.701 -17.553 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.543 2.398 -15.929 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.197 1.527 -16.701 1.00 0.00 H new ATOM 1094 N PRO A 78 -3.032 -0.884 -13.217 1.00 0.00 N ATOM 1095 CA PRO A 78 -3.878 -1.920 -12.607 1.00 0.00 C ATOM 1096 C PRO A 78 -4.434 -2.970 -13.591 1.00 0.00 C ATOM 1097 O PRO A 78 -4.066 -3.014 -14.765 1.00 0.00 O ATOM 1098 CB PRO A 78 -5.013 -1.160 -11.900 1.00 0.00 C ATOM 1099 CG PRO A 78 -4.396 0.203 -11.616 1.00 0.00 C ATOM 1100 CD PRO A 78 -3.546 0.431 -12.857 1.00 0.00 C ATOM 0 HA PRO A 78 -3.275 -2.517 -11.923 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -5.897 -1.078 -12.532 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -5.322 -1.661 -10.983 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.154 0.976 -11.493 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.796 0.198 -10.706 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -4.138 0.857 -13.667 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.734 1.129 -12.655 1.00 0.00 H new ATOM 1108 N ALA A 79 -5.322 -3.837 -13.094 1.00 0.00 N ATOM 1109 CA ALA A 79 -5.932 -4.969 -13.806 1.00 0.00 C ATOM 1110 C ALA A 79 -4.950 -6.068 -14.277 1.00 0.00 C ATOM 1111 O ALA A 79 -5.307 -6.917 -15.102 1.00 0.00 O ATOM 1112 CB ALA A 79 -6.898 -4.456 -14.889 1.00 0.00 C ATOM 0 H ALA A 79 -5.654 -3.766 -12.132 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.523 -5.519 -13.073 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.344 -5.303 -15.410 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.684 -3.862 -14.423 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.351 -3.839 -15.602 1.00 0.00 H new ATOM 1118 N ALA A 80 -3.738 -6.102 -13.714 1.00 0.00 N ATOM 1119 CA ALA A 80 -2.888 -7.295 -13.693 1.00 0.00 C ATOM 1120 C ALA A 80 -3.444 -8.352 -12.714 1.00 0.00 C ATOM 1121 O ALA A 80 -4.193 -8.010 -11.790 1.00 0.00 O ATOM 1122 CB ALA A 80 -1.458 -6.881 -13.325 1.00 0.00 C ATOM 0 H ALA A 80 -3.316 -5.294 -13.256 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.879 -7.755 -14.681 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.817 -7.763 -13.307 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.082 -6.174 -14.065 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.457 -6.411 -12.341 1.00 0.00 H new ATOM 1128 N ALA A 81 -3.067 -9.622 -12.879 1.00 0.00 N ATOM 1129 CA ALA A 81 -3.474 -10.724 -11.996 1.00 0.00 C ATOM 1130 C ALA A 81 -2.328 -11.736 -11.761 1.00 0.00 C ATOM 1131 O ALA A 81 -1.660 -12.124 -12.728 1.00 0.00 O ATOM 1132 CB ALA A 81 -4.703 -11.413 -12.606 1.00 0.00 C ATOM 0 H ALA A 81 -2.460 -9.921 -13.642 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.725 -10.316 -11.017 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.017 -12.234 -11.961 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.516 -10.692 -12.698 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.450 -11.802 -13.592 1.00 0.00 H new ATOM 1138 N PRO A 82 -2.093 -12.209 -10.519 1.00 0.00 N ATOM 1139 CA PRO A 82 -1.095 -13.234 -10.220 1.00 0.00 C ATOM 1140 C PRO A 82 -1.632 -14.630 -10.590 1.00 0.00 C ATOM 1141 O PRO A 82 -2.348 -15.267 -9.809 1.00 0.00 O ATOM 1142 CB PRO A 82 -0.793 -13.064 -8.724 1.00 0.00 C ATOM 1143 CG PRO A 82 -2.114 -12.554 -8.147 1.00 0.00 C ATOM 1144 CD PRO A 82 -2.697 -11.716 -9.286 1.00 0.00 C ATOM 0 HA PRO A 82 -0.179 -13.131 -10.801 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.492 -14.006 -8.266 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.018 -12.355 -8.557 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.776 -13.375 -7.872 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.957 -11.957 -7.249 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.782 -11.812 -9.321 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.475 -10.659 -9.142 1.00 0.00 H new ATOM 1152 N ARG A 83 -1.283 -15.115 -11.795 1.00 0.00 N ATOM 1153 CA ARG A 83 -1.666 -16.431 -12.365 1.00 0.00 C ATOM 1154 C ARG A 83 -3.185 -16.725 -12.275 1.00 0.00 C ATOM 1155 O ARG A 83 -3.597 -17.578 -11.482 1.00 0.00 O ATOM 1156 CB ARG A 83 -0.753 -17.531 -11.776 1.00 0.00 C ATOM 1157 CG ARG A 83 -0.891 -18.938 -12.396 1.00 0.00 C ATOM 1158 CD ARG A 83 -0.666 -19.011 -13.915 1.00 0.00 C ATOM 1159 NE ARG A 83 -1.879 -18.658 -14.684 1.00 0.00 N ATOM 1160 CZ ARG A 83 -1.955 -18.346 -15.962 1.00 0.00 C ATOM 1161 NH1 ARG A 83 -0.910 -18.300 -16.741 1.00 0.00 N ATOM 1162 NH2 ARG A 83 -3.112 -18.072 -16.481 1.00 0.00 N ATOM 0 H ARG A 83 -0.697 -14.578 -12.434 1.00 0.00 H new ATOM 0 HA ARG A 83 -1.494 -16.412 -13.441 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.283 -17.210 -11.884 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.954 -17.607 -10.707 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.180 -19.604 -11.907 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.888 -19.319 -12.174 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.145 -18.337 -14.192 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.349 -20.019 -14.184 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.757 -18.656 -14.166 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.015 -18.511 -16.366 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.018 -18.053 -17.725 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.951 -18.099 -15.901 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.183 -17.829 -17.469 1.00 0.00 H new ATOM 1176 N PRO A 84 -4.029 -16.033 -13.069 1.00 0.00 N ATOM 1177 CA PRO A 84 -5.478 -16.276 -13.131 1.00 0.00 C ATOM 1178 C PRO A 84 -5.828 -17.668 -13.708 1.00 0.00 C ATOM 1179 O PRO A 84 -6.891 -18.209 -13.331 1.00 0.00 O ATOM 1180 CB PRO A 84 -6.046 -15.128 -13.974 1.00 0.00 C ATOM 1181 CG PRO A 84 -4.892 -14.776 -14.914 1.00 0.00 C ATOM 1182 CD PRO A 84 -3.660 -15.008 -14.038 1.00 0.00 C ATOM 1183 OXT PRO A 84 -5.047 -18.212 -14.524 1.00 0.00 O ATOM 0 HA PRO A 84 -5.918 -16.292 -12.134 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -6.934 -15.436 -14.526 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.334 -14.278 -13.355 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.884 -15.411 -15.800 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.953 -13.745 -15.261 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -2.811 -15.331 -14.640 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -3.362 -14.088 -13.535 1.00 0.00 H new TER 1191 PRO A 84