USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 607 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 SER N :NH3+ -178:sc= 0.00296 (180deg=0.00289) USER MOD Single : A 1 SER OG : rot 16:sc= 1.13 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc=-0.00402 K(o=-0.004,f=-0.52) USER MOD Single : A 37 SER OG : rot 114:sc= 1.22 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 148:sc= -0.0525! USER MOD Single : A 48 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 54 SER OG : rot 180:sc= -0.0276 USER MOD Single : A 56 SER OG : rot -53:sc= 0.937 USER MOD Single : A 58 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.392) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -11.499 -8.535 -8.743 1.00 0.00 N ATOM 2 CA SER A 1 -10.332 -7.872 -8.095 1.00 0.00 C ATOM 3 C SER A 1 -9.040 -8.356 -8.756 1.00 0.00 C ATOM 4 O SER A 1 -8.599 -9.467 -8.541 1.00 0.00 O ATOM 5 CB SER A 1 -10.306 -8.226 -6.607 1.00 0.00 C ATOM 6 OG SER A 1 -10.050 -9.617 -6.459 1.00 0.00 O ATOM 0 H1 SER A 1 -12.380 -8.181 -8.317 1.00 0.00 H new ATOM 0 H2 SER A 1 -11.497 -8.323 -9.761 1.00 0.00 H new ATOM 0 H3 SER A 1 -11.436 -9.564 -8.603 1.00 0.00 H new ATOM 0 HA SER A 1 -10.417 -6.791 -8.210 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.536 -7.647 -6.097 1.00 0.00 H new ATOM 0 HB3 SER A 1 -11.258 -7.968 -6.143 1.00 0.00 H new ATOM 0 HG SER A 1 -9.697 -9.976 -7.300 1.00 0.00 H new ATOM 14 N GLU A 2 -8.427 -7.529 -9.558 1.00 0.00 N ATOM 15 CA GLU A 2 -7.165 -7.942 -10.233 1.00 0.00 C ATOM 16 C GLU A 2 -5.968 -7.365 -9.472 1.00 0.00 C ATOM 17 O GLU A 2 -6.050 -6.308 -8.877 1.00 0.00 O ATOM 18 CB GLU A 2 -7.158 -7.417 -11.670 1.00 0.00 C ATOM 19 CG GLU A 2 -8.343 -8.009 -12.436 1.00 0.00 C ATOM 20 CD GLU A 2 -9.530 -7.048 -12.363 1.00 0.00 C ATOM 21 OE1 GLU A 2 -10.260 -7.111 -11.388 1.00 0.00 O ATOM 22 OE2 GLU A 2 -9.689 -6.264 -13.284 1.00 0.00 O ATOM 0 H GLU A 2 -8.746 -6.585 -9.775 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.099 -9.030 -10.245 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.218 -6.329 -11.671 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.223 -7.685 -12.162 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.067 -8.184 -13.476 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.617 -8.975 -12.012 1.00 0.00 H new ATOM 29 N ILE A 3 -4.857 -8.050 -9.488 1.00 0.00 N ATOM 30 CA ILE A 3 -3.658 -7.539 -8.765 1.00 0.00 C ATOM 31 C ILE A 3 -2.919 -6.534 -9.650 1.00 0.00 C ATOM 32 O ILE A 3 -3.073 -6.520 -10.855 1.00 0.00 O ATOM 33 CB ILE A 3 -2.728 -8.706 -8.434 1.00 0.00 C ATOM 34 CG1 ILE A 3 -1.647 -8.236 -7.459 1.00 0.00 C ATOM 35 CG2 ILE A 3 -2.069 -9.215 -9.718 1.00 0.00 C ATOM 36 CD1 ILE A 3 -1.203 -9.407 -6.582 1.00 0.00 C ATOM 0 H ILE A 3 -4.728 -8.940 -9.970 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.971 -7.050 -7.843 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.305 -9.511 -7.978 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.795 -7.837 -8.010 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.031 -7.428 -6.837 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.406 -10.047 -9.481 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.838 -9.550 -10.414 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.493 -8.410 -10.175 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.433 -9.070 -5.888 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.057 -9.785 -6.020 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.802 -10.201 -7.211 1.00 0.00 H new ATOM 48 N ILE A 4 -2.115 -5.690 -9.061 1.00 0.00 N ATOM 49 CA ILE A 4 -1.366 -4.686 -9.869 1.00 0.00 C ATOM 50 C ILE A 4 0.110 -4.707 -9.465 1.00 0.00 C ATOM 51 O ILE A 4 0.469 -4.319 -8.371 1.00 0.00 O ATOM 52 CB ILE A 4 -1.946 -3.294 -9.616 1.00 0.00 C ATOM 53 CG1 ILE A 4 -3.394 -3.247 -10.111 1.00 0.00 C ATOM 54 CG2 ILE A 4 -1.118 -2.251 -10.368 1.00 0.00 C ATOM 55 CD1 ILE A 4 -4.341 -3.149 -8.914 1.00 0.00 C ATOM 0 H ILE A 4 -1.945 -5.653 -8.056 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.456 -4.929 -10.928 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.919 -3.079 -8.548 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.536 -2.391 -10.771 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.619 -4.140 -10.694 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.532 -1.259 -10.187 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.087 -2.283 -10.017 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.145 -2.466 -11.436 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.372 -3.116 -9.267 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.206 -4.019 -8.271 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.121 -2.243 -8.350 1.00 0.00 H new ATOM 67 N ARG A 5 0.967 -5.156 -10.339 1.00 0.00 N ATOM 68 CA ARG A 5 2.419 -5.201 -10.005 1.00 0.00 C ATOM 69 C ARG A 5 3.081 -3.888 -10.424 1.00 0.00 C ATOM 70 O ARG A 5 2.488 -3.070 -11.101 1.00 0.00 O ATOM 71 CB ARG A 5 3.078 -6.365 -10.748 1.00 0.00 C ATOM 72 CG ARG A 5 2.766 -6.258 -12.242 1.00 0.00 C ATOM 73 CD ARG A 5 3.946 -6.800 -13.051 1.00 0.00 C ATOM 74 NE ARG A 5 3.465 -7.856 -13.985 1.00 0.00 N ATOM 75 CZ ARG A 5 3.047 -7.531 -15.178 1.00 0.00 C ATOM 76 NH1 ARG A 5 1.826 -7.103 -15.347 1.00 0.00 N ATOM 77 NH2 ARG A 5 3.849 -7.634 -16.201 1.00 0.00 N ATOM 0 H ARG A 5 0.725 -5.494 -11.271 1.00 0.00 H new ATOM 0 HA ARG A 5 2.540 -5.341 -8.931 1.00 0.00 H new ATOM 0 HB2 ARG A 5 4.156 -6.348 -10.589 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.712 -7.314 -10.356 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.862 -6.820 -12.477 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.574 -5.219 -12.511 1.00 0.00 H new ATOM 0 HD2 ARG A 5 4.419 -5.993 -13.610 1.00 0.00 H new ATOM 0 HD3 ARG A 5 4.702 -7.209 -12.381 1.00 0.00 H new ATOM 0 HE ARG A 5 3.462 -8.833 -13.692 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.198 -7.022 -14.547 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.499 -6.849 -16.279 1.00 0.00 H new ATOM 0 HH21 ARG A 5 4.803 -7.969 -16.069 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.522 -7.380 -17.133 1.00 0.00 H new ATOM 91 N VAL A 6 4.306 -3.679 -10.028 1.00 0.00 N ATOM 92 CA VAL A 6 5.007 -2.419 -10.404 1.00 0.00 C ATOM 93 C VAL A 6 4.750 -2.115 -11.885 1.00 0.00 C ATOM 94 O VAL A 6 4.703 -3.015 -12.699 1.00 0.00 O ATOM 95 CB VAL A 6 6.509 -2.587 -10.170 1.00 0.00 C ATOM 96 CG1 VAL A 6 7.256 -1.370 -10.721 1.00 0.00 C ATOM 97 CG2 VAL A 6 6.778 -2.710 -8.668 1.00 0.00 C ATOM 0 H VAL A 6 4.852 -4.327 -9.460 1.00 0.00 H new ATOM 0 HA VAL A 6 4.633 -1.596 -9.795 1.00 0.00 H new ATOM 0 HB VAL A 6 6.856 -3.486 -10.680 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.326 -1.493 -10.553 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.065 -1.279 -11.790 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.910 -0.470 -10.213 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.848 -2.830 -8.499 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.429 -1.810 -8.161 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.249 -3.577 -8.273 1.00 0.00 H new ATOM 107 N PRO A 7 4.589 -0.851 -12.189 1.00 0.00 N ATOM 108 CA PRO A 7 4.334 -0.393 -13.566 1.00 0.00 C ATOM 109 C PRO A 7 5.636 -0.379 -14.373 1.00 0.00 C ATOM 110 O PRO A 7 6.711 -0.566 -13.840 1.00 0.00 O ATOM 111 CB PRO A 7 3.793 1.026 -13.379 1.00 0.00 C ATOM 112 CG PRO A 7 4.294 1.504 -11.995 1.00 0.00 C ATOM 113 CD PRO A 7 4.646 0.238 -11.192 1.00 0.00 C ATOM 0 HA PRO A 7 3.645 -1.037 -14.112 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.150 1.685 -14.170 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.704 1.036 -13.423 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.165 2.150 -12.101 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.526 2.085 -11.485 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.636 0.314 -10.742 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.938 0.072 -10.380 1.00 0.00 H new ATOM 121 N ASP A 8 5.546 -0.159 -15.657 1.00 0.00 N ATOM 122 CA ASP A 8 6.777 -0.132 -16.496 1.00 0.00 C ATOM 123 C ASP A 8 7.398 1.266 -16.447 1.00 0.00 C ATOM 124 O ASP A 8 6.971 2.169 -17.138 1.00 0.00 O ATOM 125 CB ASP A 8 6.417 -0.480 -17.942 1.00 0.00 C ATOM 126 CG ASP A 8 7.690 -0.524 -18.790 1.00 0.00 C ATOM 127 OD1 ASP A 8 8.496 -1.412 -18.566 1.00 0.00 O ATOM 128 OD2 ASP A 8 7.836 0.331 -19.647 1.00 0.00 O ATOM 0 H ASP A 8 4.674 0.003 -16.160 1.00 0.00 H new ATOM 0 HA ASP A 8 7.492 -0.861 -16.114 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.909 -1.444 -17.979 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.725 0.260 -18.344 1.00 0.00 H new ATOM 133 N ILE A 9 8.401 1.452 -15.634 1.00 0.00 N ATOM 134 CA ILE A 9 9.049 2.793 -15.542 1.00 0.00 C ATOM 135 C ILE A 9 10.366 2.775 -16.319 1.00 0.00 C ATOM 136 O ILE A 9 10.972 3.800 -16.556 1.00 0.00 O ATOM 137 CB ILE A 9 9.330 3.155 -14.074 1.00 0.00 C ATOM 138 CG1 ILE A 9 8.887 2.017 -13.146 1.00 0.00 C ATOM 139 CG2 ILE A 9 8.565 4.427 -13.709 1.00 0.00 C ATOM 140 CD1 ILE A 9 9.173 2.401 -11.694 1.00 0.00 C ATOM 0 H ILE A 9 8.801 0.734 -15.029 1.00 0.00 H new ATOM 0 HA ILE A 9 8.376 3.538 -15.967 1.00 0.00 H new ATOM 0 HB ILE A 9 10.401 3.315 -13.952 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.823 1.819 -13.278 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.416 1.099 -13.401 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.763 4.685 -12.669 1.00 0.00 H new ATOM 0 HG22 ILE A 9 8.889 5.244 -14.353 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.496 4.260 -13.844 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.858 1.592 -11.035 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.241 2.577 -11.568 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.624 3.308 -11.443 1.00 0.00 H new ATOM 152 N GLY A 10 10.815 1.616 -16.717 1.00 0.00 N ATOM 153 CA GLY A 10 12.094 1.533 -17.477 1.00 0.00 C ATOM 154 C GLY A 10 13.241 1.215 -16.517 1.00 0.00 C ATOM 155 O GLY A 10 14.342 0.907 -16.930 1.00 0.00 O ATOM 0 H GLY A 10 10.351 0.723 -16.549 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.024 0.762 -18.244 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.286 2.476 -17.990 1.00 0.00 H new ATOM 159 N GLY A 11 12.993 1.285 -15.239 1.00 0.00 N ATOM 160 CA GLY A 11 14.070 0.986 -14.252 1.00 0.00 C ATOM 161 C GLY A 11 13.444 0.625 -12.905 1.00 0.00 C ATOM 162 O GLY A 11 12.280 0.283 -12.822 1.00 0.00 O ATOM 0 H GLY A 11 12.091 1.536 -14.834 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.687 0.162 -14.610 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.725 1.850 -14.140 1.00 0.00 H new ATOM 166 N ASP A 12 14.204 0.698 -11.847 1.00 0.00 N ATOM 167 CA ASP A 12 13.650 0.359 -10.506 1.00 0.00 C ATOM 168 C ASP A 12 12.932 1.580 -9.928 1.00 0.00 C ATOM 169 O ASP A 12 13.354 2.704 -10.109 1.00 0.00 O ATOM 170 CB ASP A 12 14.790 -0.051 -9.572 1.00 0.00 C ATOM 171 CG ASP A 12 15.683 1.160 -9.292 1.00 0.00 C ATOM 172 OD1 ASP A 12 15.908 1.929 -10.211 1.00 0.00 O ATOM 173 OD2 ASP A 12 16.125 1.296 -8.163 1.00 0.00 O ATOM 0 H ASP A 12 15.185 0.978 -11.853 1.00 0.00 H new ATOM 0 HA ASP A 12 12.944 -0.466 -10.602 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.386 -0.442 -8.638 1.00 0.00 H new ATOM 0 HB3 ASP A 12 15.376 -0.851 -10.025 1.00 0.00 H new ATOM 178 N GLY A 13 11.847 1.368 -9.234 1.00 0.00 N ATOM 179 CA GLY A 13 11.102 2.517 -8.646 1.00 0.00 C ATOM 180 C GLY A 13 11.136 2.422 -7.120 1.00 0.00 C ATOM 181 O GLY A 13 11.199 1.347 -6.557 1.00 0.00 O ATOM 0 H GLY A 13 11.445 0.449 -9.049 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.547 3.457 -8.972 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.070 2.513 -8.998 1.00 0.00 H new ATOM 185 N GLU A 14 11.094 3.538 -6.445 1.00 0.00 N ATOM 186 CA GLU A 14 11.124 3.511 -4.956 1.00 0.00 C ATOM 187 C GLU A 14 9.977 4.362 -4.407 1.00 0.00 C ATOM 188 O GLU A 14 9.902 5.550 -4.653 1.00 0.00 O ATOM 189 CB GLU A 14 12.459 4.072 -4.461 1.00 0.00 C ATOM 190 CG GLU A 14 13.335 2.930 -3.945 1.00 0.00 C ATOM 191 CD GLU A 14 14.673 2.937 -4.686 1.00 0.00 C ATOM 192 OE1 GLU A 14 14.667 3.214 -5.875 1.00 0.00 O ATOM 193 OE2 GLU A 14 15.680 2.665 -4.054 1.00 0.00 O ATOM 0 H GLU A 14 11.040 4.468 -6.861 1.00 0.00 H new ATOM 0 HA GLU A 14 11.012 2.484 -4.609 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.967 4.597 -5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.288 4.800 -3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.500 3.040 -2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.830 1.975 -4.093 1.00 0.00 H new ATOM 200 N VAL A 15 9.084 3.765 -3.667 1.00 0.00 N ATOM 201 CA VAL A 15 7.943 4.542 -3.104 1.00 0.00 C ATOM 202 C VAL A 15 8.468 5.538 -2.067 1.00 0.00 C ATOM 203 O VAL A 15 9.485 5.318 -1.439 1.00 0.00 O ATOM 204 CB VAL A 15 6.954 3.585 -2.437 1.00 0.00 C ATOM 205 CG1 VAL A 15 5.645 4.322 -2.149 1.00 0.00 C ATOM 206 CG2 VAL A 15 6.678 2.406 -3.373 1.00 0.00 C ATOM 0 H VAL A 15 9.095 2.774 -3.428 1.00 0.00 H new ATOM 0 HA VAL A 15 7.440 5.083 -3.906 1.00 0.00 H new ATOM 0 HB VAL A 15 7.378 3.218 -1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.940 3.640 -1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.840 5.164 -1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.221 4.689 -3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.973 1.723 -2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.254 2.775 -4.307 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.610 1.880 -3.580 1.00 0.00 H new ATOM 216 N ILE A 16 7.781 6.631 -1.881 1.00 0.00 N ATOM 217 CA ILE A 16 8.241 7.640 -0.885 1.00 0.00 C ATOM 218 C ILE A 16 7.163 7.831 0.182 1.00 0.00 C ATOM 219 O ILE A 16 7.454 8.063 1.339 1.00 0.00 O ATOM 220 CB ILE A 16 8.502 8.971 -1.591 1.00 0.00 C ATOM 221 CG1 ILE A 16 9.566 8.774 -2.673 1.00 0.00 C ATOM 222 CG2 ILE A 16 8.998 10.000 -0.573 1.00 0.00 C ATOM 223 CD1 ILE A 16 10.871 8.306 -2.028 1.00 0.00 C ATOM 0 H ILE A 16 6.921 6.869 -2.375 1.00 0.00 H new ATOM 0 HA ILE A 16 9.161 7.293 -0.414 1.00 0.00 H new ATOM 0 HB ILE A 16 7.578 9.326 -2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 16 9.225 8.040 -3.403 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.729 9.707 -3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.184 10.949 -1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.242 10.141 0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.922 9.644 -0.116 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.628 8.166 -2.799 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.214 9.056 -1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.703 7.362 -1.509 1.00 0.00 H new ATOM 235 N GLU A 17 5.917 7.736 -0.195 1.00 0.00 N ATOM 236 CA GLU A 17 4.821 7.914 0.800 1.00 0.00 C ATOM 237 C GLU A 17 3.474 7.643 0.128 1.00 0.00 C ATOM 238 O GLU A 17 3.230 8.058 -0.988 1.00 0.00 O ATOM 239 CB GLU A 17 4.845 9.346 1.335 1.00 0.00 C ATOM 240 CG GLU A 17 4.675 10.328 0.175 1.00 0.00 C ATOM 241 CD GLU A 17 4.855 11.759 0.685 1.00 0.00 C ATOM 242 OE1 GLU A 17 4.595 11.987 1.854 1.00 0.00 O ATOM 243 OE2 GLU A 17 5.251 12.602 -0.102 1.00 0.00 O ATOM 0 H GLU A 17 5.611 7.543 -1.149 1.00 0.00 H new ATOM 0 HA GLU A 17 4.963 7.216 1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.047 9.486 2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.786 9.537 1.852 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.405 10.115 -0.606 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.688 10.212 -0.272 1.00 0.00 H new ATOM 250 N LEU A 18 2.594 6.949 0.798 1.00 0.00 N ATOM 251 CA LEU A 18 1.267 6.652 0.204 1.00 0.00 C ATOM 252 C LEU A 18 0.216 7.575 0.823 1.00 0.00 C ATOM 253 O LEU A 18 0.237 7.851 2.006 1.00 0.00 O ATOM 254 CB LEU A 18 0.888 5.192 0.479 1.00 0.00 C ATOM 255 CG LEU A 18 1.688 4.632 1.660 1.00 0.00 C ATOM 256 CD1 LEU A 18 1.045 3.329 2.139 1.00 0.00 C ATOM 257 CD2 LEU A 18 3.126 4.357 1.216 1.00 0.00 C ATOM 0 H LEU A 18 2.742 6.575 1.735 1.00 0.00 H new ATOM 0 HA LEU A 18 1.311 6.815 -0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.179 5.123 0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.075 4.590 -0.410 1.00 0.00 H new ATOM 0 HG LEU A 18 1.691 5.357 2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.614 2.930 2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.020 3.524 2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.043 2.604 1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.696 3.959 2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.123 3.632 0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.585 5.285 0.874 1.00 0.00 H new ATOM 269 N LEU A 19 -0.705 8.055 0.032 1.00 0.00 N ATOM 270 CA LEU A 19 -1.757 8.959 0.576 1.00 0.00 C ATOM 271 C LEU A 19 -3.096 8.221 0.613 1.00 0.00 C ATOM 272 O LEU A 19 -4.141 8.800 0.396 1.00 0.00 O ATOM 273 CB LEU A 19 -1.879 10.195 -0.319 1.00 0.00 C ATOM 274 CG LEU A 19 -1.928 9.760 -1.785 1.00 0.00 C ATOM 275 CD1 LEU A 19 -3.030 10.535 -2.511 1.00 0.00 C ATOM 276 CD2 LEU A 19 -0.579 10.053 -2.447 1.00 0.00 C ATOM 0 H LEU A 19 -0.774 7.860 -0.967 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.485 9.267 1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.779 10.754 -0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.032 10.861 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.138 8.692 -1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.065 10.225 -3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.991 10.329 -2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.820 11.603 -2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.612 9.744 -3.492 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.371 11.121 -2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.207 9.503 -1.930 1.00 0.00 H new ATOM 288 N VAL A 20 -3.073 6.946 0.887 1.00 0.00 N ATOM 289 CA VAL A 20 -4.346 6.171 0.937 1.00 0.00 C ATOM 290 C VAL A 20 -4.255 5.113 2.039 1.00 0.00 C ATOM 291 O VAL A 20 -3.258 4.999 2.723 1.00 0.00 O ATOM 292 CB VAL A 20 -4.580 5.486 -0.410 1.00 0.00 C ATOM 293 CG1 VAL A 20 -4.436 6.512 -1.536 1.00 0.00 C ATOM 294 CG2 VAL A 20 -3.548 4.373 -0.602 1.00 0.00 C ATOM 0 H VAL A 20 -2.229 6.407 1.078 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.175 6.847 1.149 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.583 5.060 -0.431 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.603 6.024 -2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.170 7.306 -1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.433 6.937 -1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.714 3.884 -1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.545 4.799 -0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.648 3.641 0.200 1.00 0.00 H new ATOM 304 N LYS A 21 -5.289 4.338 2.215 1.00 0.00 N ATOM 305 CA LYS A 21 -5.262 3.288 3.273 1.00 0.00 C ATOM 306 C LYS A 21 -6.041 2.061 2.793 1.00 0.00 C ATOM 307 O LYS A 21 -6.563 2.035 1.696 1.00 0.00 O ATOM 308 CB LYS A 21 -5.905 3.833 4.550 1.00 0.00 C ATOM 309 CG LYS A 21 -4.819 4.392 5.471 1.00 0.00 C ATOM 310 CD LYS A 21 -4.537 3.393 6.594 1.00 0.00 C ATOM 311 CE LYS A 21 -4.011 4.139 7.822 1.00 0.00 C ATOM 312 NZ LYS A 21 -5.056 4.150 8.883 1.00 0.00 N ATOM 0 H LYS A 21 -6.151 4.386 1.673 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.229 3.006 3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.624 4.614 4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.456 3.042 5.059 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.909 4.583 4.903 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.139 5.346 5.890 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.447 2.849 6.848 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.806 2.655 6.263 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.106 3.657 8.193 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.741 5.160 7.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.698 4.657 9.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.908 4.628 8.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.293 3.172 9.147 1.00 0.00 H new ATOM 326 N THR A 22 -6.122 1.044 3.607 1.00 0.00 N ATOM 327 CA THR A 22 -6.868 -0.179 3.197 1.00 0.00 C ATOM 328 C THR A 22 -8.367 0.049 3.390 1.00 0.00 C ATOM 329 O THR A 22 -8.812 0.471 4.439 1.00 0.00 O ATOM 330 CB THR A 22 -6.417 -1.363 4.056 1.00 0.00 C ATOM 331 OG1 THR A 22 -7.008 -2.557 3.563 1.00 0.00 O ATOM 332 CG2 THR A 22 -6.850 -1.139 5.506 1.00 0.00 C ATOM 0 H THR A 22 -5.704 1.007 4.537 1.00 0.00 H new ATOM 0 HA THR A 22 -6.666 -0.393 2.148 1.00 0.00 H new ATOM 0 HB THR A 22 -5.331 -1.450 4.013 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.718 -3.316 4.111 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.528 -1.983 6.116 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.395 -0.223 5.884 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.935 -1.051 5.552 1.00 0.00 H new ATOM 340 N GLY A 23 -9.154 -0.227 2.385 1.00 0.00 N ATOM 341 CA GLY A 23 -10.625 -0.026 2.512 1.00 0.00 C ATOM 342 C GLY A 23 -11.011 1.332 1.922 1.00 0.00 C ATOM 343 O GLY A 23 -12.166 1.710 1.916 1.00 0.00 O ATOM 0 H GLY A 23 -8.841 -0.583 1.482 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.157 -0.823 1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.920 -0.075 3.560 1.00 0.00 H new ATOM 347 N ASP A 24 -10.055 2.071 1.427 1.00 0.00 N ATOM 348 CA ASP A 24 -10.372 3.403 0.839 1.00 0.00 C ATOM 349 C ASP A 24 -10.881 3.221 -0.593 1.00 0.00 C ATOM 350 O ASP A 24 -10.305 2.496 -1.379 1.00 0.00 O ATOM 351 CB ASP A 24 -9.111 4.269 0.826 1.00 0.00 C ATOM 352 CG ASP A 24 -8.969 4.986 2.170 1.00 0.00 C ATOM 353 OD1 ASP A 24 -9.786 4.737 3.041 1.00 0.00 O ATOM 354 OD2 ASP A 24 -8.047 5.773 2.305 1.00 0.00 O ATOM 0 H ASP A 24 -9.069 1.810 1.405 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.141 3.890 1.439 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.234 3.650 0.638 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.166 4.998 0.017 1.00 0.00 H new ATOM 359 N LEU A 25 -11.957 3.875 -0.938 1.00 0.00 N ATOM 360 CA LEU A 25 -12.501 3.738 -2.318 1.00 0.00 C ATOM 361 C LEU A 25 -11.870 4.798 -3.222 1.00 0.00 C ATOM 362 O LEU A 25 -12.171 5.971 -3.124 1.00 0.00 O ATOM 363 CB LEU A 25 -14.019 3.930 -2.289 1.00 0.00 C ATOM 364 CG LEU A 25 -14.647 3.211 -3.484 1.00 0.00 C ATOM 365 CD1 LEU A 25 -15.833 2.368 -3.007 1.00 0.00 C ATOM 366 CD2 LEU A 25 -15.135 4.244 -4.502 1.00 0.00 C ATOM 0 H LEU A 25 -12.482 4.498 -0.324 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.268 2.746 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.428 3.537 -1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.263 4.992 -2.321 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.904 2.564 -3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -16.281 1.855 -3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -15.488 1.632 -2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.576 3.016 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -15.583 3.732 -5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -15.878 4.891 -4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -14.292 4.846 -4.842 1.00 0.00 H new ATOM 378 N ILE A 26 -10.996 4.396 -4.104 1.00 0.00 N ATOM 379 CA ILE A 26 -10.347 5.377 -5.013 1.00 0.00 C ATOM 380 C ILE A 26 -11.161 5.484 -6.304 1.00 0.00 C ATOM 381 O ILE A 26 -12.248 4.949 -6.408 1.00 0.00 O ATOM 382 CB ILE A 26 -8.932 4.895 -5.336 1.00 0.00 C ATOM 383 CG1 ILE A 26 -8.340 4.198 -4.108 1.00 0.00 C ATOM 384 CG2 ILE A 26 -8.052 6.088 -5.714 1.00 0.00 C ATOM 385 CD1 ILE A 26 -6.890 3.801 -4.397 1.00 0.00 C ATOM 0 H ILE A 26 -10.704 3.427 -4.233 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.300 6.355 -4.534 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.972 4.197 -6.172 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.381 4.862 -3.244 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.928 3.314 -3.859 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.045 5.739 -5.943 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.471 6.587 -6.588 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.012 6.789 -4.881 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.468 3.305 -3.523 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.862 3.122 -5.249 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.307 4.693 -4.625 1.00 0.00 H new ATOM 397 N GLU A 27 -10.650 6.170 -7.288 1.00 0.00 N ATOM 398 CA GLU A 27 -11.397 6.308 -8.569 1.00 0.00 C ATOM 399 C GLU A 27 -10.406 6.384 -9.733 1.00 0.00 C ATOM 400 O GLU A 27 -9.206 6.389 -9.539 1.00 0.00 O ATOM 401 CB GLU A 27 -12.238 7.586 -8.532 1.00 0.00 C ATOM 402 CG GLU A 27 -13.693 7.250 -8.866 1.00 0.00 C ATOM 403 CD GLU A 27 -13.916 7.387 -10.373 1.00 0.00 C ATOM 404 OE1 GLU A 27 -13.224 8.185 -10.984 1.00 0.00 O ATOM 405 OE2 GLU A 27 -14.775 6.693 -10.891 1.00 0.00 O ATOM 0 H GLU A 27 -9.746 6.642 -7.260 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.050 5.446 -8.704 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.177 8.046 -7.545 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.848 8.311 -9.246 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.926 6.235 -8.544 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.365 7.918 -8.326 1.00 0.00 H new ATOM 412 N VAL A 28 -10.897 6.442 -10.940 1.00 0.00 N ATOM 413 CA VAL A 28 -9.982 6.518 -12.113 1.00 0.00 C ATOM 414 C VAL A 28 -9.514 7.961 -12.303 1.00 0.00 C ATOM 415 O VAL A 28 -9.949 8.651 -13.203 1.00 0.00 O ATOM 416 CB VAL A 28 -10.721 6.052 -13.369 1.00 0.00 C ATOM 417 CG1 VAL A 28 -11.895 6.993 -13.649 1.00 0.00 C ATOM 418 CG2 VAL A 28 -9.762 6.067 -14.561 1.00 0.00 C ATOM 0 H VAL A 28 -11.892 6.440 -11.165 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.118 5.876 -11.941 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.094 5.040 -13.215 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -12.422 6.661 -14.544 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -12.579 6.983 -12.801 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.521 8.005 -13.802 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.289 5.735 -15.456 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.388 7.079 -14.715 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.925 5.397 -14.363 1.00 0.00 H new ATOM 428 N GLU A 29 -8.627 8.422 -11.462 1.00 0.00 N ATOM 429 CA GLU A 29 -8.129 9.819 -11.591 1.00 0.00 C ATOM 430 C GLU A 29 -7.455 10.241 -10.284 1.00 0.00 C ATOM 431 O GLU A 29 -6.580 11.084 -10.269 1.00 0.00 O ATOM 432 CB GLU A 29 -9.299 10.758 -11.889 1.00 0.00 C ATOM 433 CG GLU A 29 -9.159 11.316 -13.306 1.00 0.00 C ATOM 434 CD GLU A 29 -9.518 12.803 -13.309 1.00 0.00 C ATOM 435 OE1 GLU A 29 -8.853 13.554 -12.613 1.00 0.00 O ATOM 436 OE2 GLU A 29 -10.451 13.167 -14.005 1.00 0.00 O ATOM 0 H GLU A 29 -8.226 7.889 -10.690 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.408 9.872 -12.407 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.243 10.222 -11.790 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.318 11.574 -11.166 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.139 11.177 -13.663 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.813 10.772 -13.988 1.00 0.00 H new ATOM 443 N GLN A 30 -7.856 9.662 -9.185 1.00 0.00 N ATOM 444 CA GLN A 30 -7.237 10.030 -7.881 1.00 0.00 C ATOM 445 C GLN A 30 -5.825 9.447 -7.804 1.00 0.00 C ATOM 446 O GLN A 30 -5.592 8.308 -8.159 1.00 0.00 O ATOM 447 CB GLN A 30 -8.084 9.467 -6.738 1.00 0.00 C ATOM 448 CG GLN A 30 -7.984 10.392 -5.523 1.00 0.00 C ATOM 449 CD GLN A 30 -8.422 9.636 -4.267 1.00 0.00 C ATOM 450 OE1 GLN A 30 -9.362 8.867 -4.304 1.00 0.00 O ATOM 451 NE2 GLN A 30 -7.776 9.822 -3.149 1.00 0.00 N ATOM 0 H GLN A 30 -8.585 8.951 -9.134 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.187 11.116 -7.796 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.123 9.375 -7.053 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.740 8.466 -6.476 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.960 10.748 -5.407 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.612 11.271 -5.669 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.987 10.467 -3.117 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.060 9.322 -2.307 1.00 0.00 H new ATOM 460 N GLY A 31 -4.878 10.218 -7.345 1.00 0.00 N ATOM 461 CA GLY A 31 -3.481 9.706 -7.248 1.00 0.00 C ATOM 462 C GLY A 31 -3.449 8.477 -6.338 1.00 0.00 C ATOM 463 O GLY A 31 -4.447 8.092 -5.762 1.00 0.00 O ATOM 0 H GLY A 31 -5.011 11.180 -7.033 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.108 9.448 -8.239 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.825 10.481 -6.853 1.00 0.00 H new ATOM 467 N LEU A 32 -2.308 7.856 -6.205 1.00 0.00 N ATOM 468 CA LEU A 32 -2.213 6.652 -5.332 1.00 0.00 C ATOM 469 C LEU A 32 -0.930 6.725 -4.501 1.00 0.00 C ATOM 470 O LEU A 32 -0.969 6.790 -3.288 1.00 0.00 O ATOM 471 CB LEU A 32 -2.185 5.392 -6.202 1.00 0.00 C ATOM 472 CG LEU A 32 -2.763 4.216 -5.415 1.00 0.00 C ATOM 473 CD1 LEU A 32 -3.866 3.545 -6.234 1.00 0.00 C ATOM 474 CD2 LEU A 32 -1.654 3.203 -5.127 1.00 0.00 C ATOM 0 H LEU A 32 -1.439 8.130 -6.663 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.076 6.616 -4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.762 5.553 -7.112 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.162 5.171 -6.508 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.179 4.578 -4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.278 2.707 -5.672 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.656 4.267 -6.440 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.451 3.183 -7.175 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.065 2.364 -4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.238 2.842 -6.067 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.868 3.681 -4.542 1.00 0.00 H new ATOM 486 N VAL A 33 0.206 6.715 -5.142 1.00 0.00 N ATOM 487 CA VAL A 33 1.488 6.784 -4.385 1.00 0.00 C ATOM 488 C VAL A 33 2.449 7.739 -5.094 1.00 0.00 C ATOM 489 O VAL A 33 2.187 8.198 -6.189 1.00 0.00 O ATOM 490 CB VAL A 33 2.114 5.389 -4.314 1.00 0.00 C ATOM 491 CG1 VAL A 33 1.101 4.404 -3.725 1.00 0.00 C ATOM 492 CG2 VAL A 33 2.505 4.935 -5.722 1.00 0.00 C ATOM 0 H VAL A 33 0.302 6.662 -6.156 1.00 0.00 H new ATOM 0 HA VAL A 33 1.295 7.147 -3.376 1.00 0.00 H new ATOM 0 HB VAL A 33 3.001 5.420 -3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.547 3.411 -3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.820 4.727 -2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.214 4.372 -4.358 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.951 3.942 -5.673 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.617 4.904 -6.354 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.226 5.636 -6.143 1.00 0.00 H new ATOM 502 N VAL A 34 3.561 8.041 -4.482 1.00 0.00 N ATOM 503 CA VAL A 34 4.536 8.966 -5.122 1.00 0.00 C ATOM 504 C VAL A 34 5.910 8.294 -5.188 1.00 0.00 C ATOM 505 O VAL A 34 6.596 8.164 -4.194 1.00 0.00 O ATOM 506 CB VAL A 34 4.637 10.252 -4.300 1.00 0.00 C ATOM 507 CG1 VAL A 34 5.572 11.237 -5.002 1.00 0.00 C ATOM 508 CG2 VAL A 34 3.247 10.878 -4.164 1.00 0.00 C ATOM 0 H VAL A 34 3.836 7.687 -3.566 1.00 0.00 H new ATOM 0 HA VAL A 34 4.199 9.206 -6.131 1.00 0.00 H new ATOM 0 HB VAL A 34 5.032 10.020 -3.311 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.643 12.153 -4.415 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.562 10.792 -5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.179 11.470 -5.992 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.317 11.795 -3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.853 11.109 -5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.580 10.177 -3.663 1.00 0.00 H new ATOM 518 N LEU A 35 6.317 7.866 -6.352 1.00 0.00 N ATOM 519 CA LEU A 35 7.645 7.204 -6.480 1.00 0.00 C ATOM 520 C LEU A 35 8.677 8.220 -6.973 1.00 0.00 C ATOM 521 O LEU A 35 8.345 9.183 -7.635 1.00 0.00 O ATOM 522 CB LEU A 35 7.546 6.049 -7.480 1.00 0.00 C ATOM 523 CG LEU A 35 6.461 5.071 -7.026 1.00 0.00 C ATOM 524 CD1 LEU A 35 5.245 5.195 -7.946 1.00 0.00 C ATOM 525 CD2 LEU A 35 7.005 3.643 -7.091 1.00 0.00 C ATOM 0 H LEU A 35 5.787 7.946 -7.220 1.00 0.00 H new ATOM 0 HA LEU A 35 7.953 6.817 -5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.312 6.433 -8.473 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.505 5.536 -7.555 1.00 0.00 H new ATOM 0 HG LEU A 35 6.167 5.303 -6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.472 4.498 -7.623 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.858 6.213 -7.902 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.538 4.962 -8.970 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.233 2.945 -6.768 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.298 3.412 -8.115 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.872 3.554 -6.437 1.00 0.00 H new ATOM 537 N GLU A 36 9.925 8.013 -6.657 1.00 0.00 N ATOM 538 CA GLU A 36 10.977 8.968 -7.109 1.00 0.00 C ATOM 539 C GLU A 36 11.951 8.250 -8.045 1.00 0.00 C ATOM 540 O GLU A 36 12.175 7.061 -7.929 1.00 0.00 O ATOM 541 CB GLU A 36 11.737 9.502 -5.893 1.00 0.00 C ATOM 542 CG GLU A 36 12.530 10.747 -6.294 1.00 0.00 C ATOM 543 CD GLU A 36 12.123 11.920 -5.401 1.00 0.00 C ATOM 544 OE1 GLU A 36 10.935 12.175 -5.295 1.00 0.00 O ATOM 545 OE2 GLU A 36 13.008 12.545 -4.837 1.00 0.00 O ATOM 0 H GLU A 36 10.263 7.224 -6.105 1.00 0.00 H new ATOM 0 HA GLU A 36 10.510 9.798 -7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.039 9.745 -5.092 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.411 8.737 -5.507 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.599 10.557 -6.198 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.342 10.990 -7.340 1.00 0.00 H new ATOM 552 N SER A 37 12.530 8.961 -8.972 1.00 0.00 N ATOM 553 CA SER A 37 13.490 8.318 -9.914 1.00 0.00 C ATOM 554 C SER A 37 14.810 9.091 -9.904 1.00 0.00 C ATOM 555 O SER A 37 14.951 10.091 -9.228 1.00 0.00 O ATOM 556 CB SER A 37 12.903 8.330 -11.325 1.00 0.00 C ATOM 557 OG SER A 37 11.539 7.933 -11.271 1.00 0.00 O ATOM 0 H SER A 37 12.380 9.959 -9.119 1.00 0.00 H new ATOM 0 HA SER A 37 13.670 7.289 -9.604 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.986 9.327 -11.757 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.465 7.655 -11.970 1.00 0.00 H new ATOM 0 HG SER A 37 10.969 8.686 -11.532 1.00 0.00 H new ATOM 563 N ALA A 38 15.781 8.635 -10.648 1.00 0.00 N ATOM 564 CA ALA A 38 17.091 9.344 -10.681 1.00 0.00 C ATOM 565 C ALA A 38 16.860 10.830 -10.962 1.00 0.00 C ATOM 566 O ALA A 38 17.487 11.688 -10.373 1.00 0.00 O ATOM 567 CB ALA A 38 17.968 8.746 -11.783 1.00 0.00 C ATOM 0 H ALA A 38 15.723 7.802 -11.234 1.00 0.00 H new ATOM 0 HA ALA A 38 17.590 9.230 -9.719 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.926 9.265 -11.807 1.00 0.00 H new ATOM 0 HB2 ALA A 38 18.133 7.687 -11.582 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.470 8.859 -12.746 1.00 0.00 H new ATOM 573 N LYS A 39 15.966 11.141 -11.861 1.00 0.00 N ATOM 574 CA LYS A 39 15.695 12.571 -12.179 1.00 0.00 C ATOM 575 C LYS A 39 14.305 12.701 -12.802 1.00 0.00 C ATOM 576 O LYS A 39 14.086 13.494 -13.696 1.00 0.00 O ATOM 577 CB LYS A 39 16.747 13.080 -13.168 1.00 0.00 C ATOM 578 CG LYS A 39 16.762 12.182 -14.405 1.00 0.00 C ATOM 579 CD LYS A 39 17.169 13.005 -15.630 1.00 0.00 C ATOM 580 CE LYS A 39 17.139 12.117 -16.875 1.00 0.00 C ATOM 581 NZ LYS A 39 18.532 11.860 -17.336 1.00 0.00 N ATOM 0 H LYS A 39 15.412 10.466 -12.389 1.00 0.00 H new ATOM 0 HA LYS A 39 15.739 13.162 -11.264 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.525 14.108 -13.455 1.00 0.00 H new ATOM 0 HB3 LYS A 39 17.730 13.086 -12.698 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.460 11.357 -14.260 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.777 11.743 -14.560 1.00 0.00 H new ATOM 0 HD2 LYS A 39 16.491 13.849 -15.756 1.00 0.00 H new ATOM 0 HD3 LYS A 39 18.168 13.417 -15.489 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.639 11.175 -16.651 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.566 12.601 -17.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 18.512 11.256 -18.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 18.994 12.763 -17.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.064 11.381 -16.582 1.00 0.00 H new ATOM 595 N ALA A 40 13.361 11.928 -12.338 1.00 0.00 N ATOM 596 CA ALA A 40 11.986 12.008 -12.906 1.00 0.00 C ATOM 597 C ALA A 40 10.971 11.580 -11.843 1.00 0.00 C ATOM 598 O ALA A 40 10.605 10.424 -11.749 1.00 0.00 O ATOM 599 CB ALA A 40 11.878 11.078 -14.116 1.00 0.00 C ATOM 0 H ALA A 40 13.483 11.245 -11.590 1.00 0.00 H new ATOM 0 HA ALA A 40 11.780 13.032 -13.216 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.872 11.137 -14.531 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.601 11.381 -14.873 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.084 10.053 -13.807 1.00 0.00 H new ATOM 605 N SER A 41 10.512 12.502 -11.043 1.00 0.00 N ATOM 606 CA SER A 41 9.520 12.147 -9.988 1.00 0.00 C ATOM 607 C SER A 41 8.115 12.132 -10.594 1.00 0.00 C ATOM 608 O SER A 41 7.689 13.080 -11.223 1.00 0.00 O ATOM 609 CB SER A 41 9.579 13.183 -8.865 1.00 0.00 C ATOM 610 OG SER A 41 8.683 12.803 -7.828 1.00 0.00 O ATOM 0 H SER A 41 10.780 13.486 -11.074 1.00 0.00 H new ATOM 0 HA SER A 41 9.753 11.161 -9.586 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.594 13.257 -8.475 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.313 14.168 -9.249 1.00 0.00 H new ATOM 0 HG SER A 41 8.720 13.464 -7.106 1.00 0.00 H new ATOM 616 N MET A 42 7.391 11.061 -10.410 1.00 0.00 N ATOM 617 CA MET A 42 6.015 10.987 -10.976 1.00 0.00 C ATOM 618 C MET A 42 5.128 10.151 -10.052 1.00 0.00 C ATOM 619 O MET A 42 5.525 9.109 -9.569 1.00 0.00 O ATOM 620 CB MET A 42 6.067 10.337 -12.359 1.00 0.00 C ATOM 621 CG MET A 42 6.994 11.144 -13.269 1.00 0.00 C ATOM 622 SD MET A 42 6.460 10.962 -14.989 1.00 0.00 S ATOM 623 CE MET A 42 7.365 12.378 -15.660 1.00 0.00 C ATOM 0 H MET A 42 7.693 10.235 -9.893 1.00 0.00 H new ATOM 0 HA MET A 42 5.603 11.992 -11.063 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.424 9.311 -12.277 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.066 10.292 -12.789 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.978 12.195 -12.982 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.022 10.798 -13.158 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.176 12.456 -16.731 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.032 13.290 -15.165 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.433 12.241 -15.489 1.00 0.00 H new ATOM 633 N GLU A 43 3.927 10.597 -9.802 1.00 0.00 N ATOM 634 CA GLU A 43 3.015 9.827 -8.910 1.00 0.00 C ATOM 635 C GLU A 43 2.144 8.894 -9.755 1.00 0.00 C ATOM 636 O GLU A 43 2.119 8.981 -10.966 1.00 0.00 O ATOM 637 CB GLU A 43 2.120 10.796 -8.134 1.00 0.00 C ATOM 638 CG GLU A 43 1.496 11.802 -9.104 1.00 0.00 C ATOM 639 CD GLU A 43 0.188 12.334 -8.517 1.00 0.00 C ATOM 640 OE1 GLU A 43 -0.671 11.526 -8.208 1.00 0.00 O ATOM 641 OE2 GLU A 43 0.069 13.541 -8.384 1.00 0.00 O ATOM 0 H GLU A 43 3.538 11.462 -10.177 1.00 0.00 H new ATOM 0 HA GLU A 43 3.606 9.238 -8.208 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.338 10.246 -7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.703 11.319 -7.376 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.187 12.625 -9.285 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.308 11.326 -10.067 1.00 0.00 H new ATOM 648 N VAL A 44 1.430 8.002 -9.125 1.00 0.00 N ATOM 649 CA VAL A 44 0.561 7.067 -9.895 1.00 0.00 C ATOM 650 C VAL A 44 -0.806 6.959 -9.206 1.00 0.00 C ATOM 651 O VAL A 44 -0.875 6.694 -8.022 1.00 0.00 O ATOM 652 CB VAL A 44 1.218 5.686 -9.936 1.00 0.00 C ATOM 653 CG1 VAL A 44 0.391 4.753 -10.823 1.00 0.00 C ATOM 654 CG2 VAL A 44 2.631 5.810 -10.508 1.00 0.00 C ATOM 0 H VAL A 44 1.410 7.880 -8.113 1.00 0.00 H new ATOM 0 HA VAL A 44 0.429 7.441 -10.910 1.00 0.00 H new ATOM 0 HB VAL A 44 1.268 5.279 -8.926 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.859 3.769 -10.852 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.617 4.664 -10.417 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.341 5.161 -11.833 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.099 4.826 -10.537 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.580 6.218 -11.517 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.222 6.474 -9.877 1.00 0.00 H new ATOM 664 N PRO A 45 -1.854 7.167 -9.963 1.00 0.00 N ATOM 665 CA PRO A 45 -3.230 7.098 -9.443 1.00 0.00 C ATOM 666 C PRO A 45 -3.674 5.641 -9.302 1.00 0.00 C ATOM 667 O PRO A 45 -2.879 4.726 -9.395 1.00 0.00 O ATOM 668 CB PRO A 45 -4.057 7.817 -10.512 1.00 0.00 C ATOM 669 CG PRO A 45 -3.231 7.751 -11.818 1.00 0.00 C ATOM 670 CD PRO A 45 -1.771 7.489 -11.403 1.00 0.00 C ATOM 0 HA PRO A 45 -3.337 7.547 -8.455 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.027 7.337 -10.641 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.249 8.851 -10.225 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.597 6.957 -12.468 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.314 8.684 -12.376 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.338 6.666 -11.971 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.144 8.363 -11.580 1.00 0.00 H new ATOM 678 N SER A 46 -4.940 5.419 -9.081 1.00 0.00 N ATOM 679 CA SER A 46 -5.438 4.022 -8.935 1.00 0.00 C ATOM 680 C SER A 46 -5.730 3.442 -10.327 1.00 0.00 C ATOM 681 O SER A 46 -6.313 4.109 -11.159 1.00 0.00 O ATOM 682 CB SER A 46 -6.719 4.028 -8.098 1.00 0.00 C ATOM 683 OG SER A 46 -7.673 3.150 -8.682 1.00 0.00 O ATOM 0 H SER A 46 -5.652 6.145 -8.995 1.00 0.00 H new ATOM 0 HA SER A 46 -4.685 3.410 -8.438 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.500 3.716 -7.077 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.125 5.038 -8.043 1.00 0.00 H new ATOM 0 HG SER A 46 -8.227 2.754 -7.978 1.00 0.00 H new ATOM 689 N PRO A 47 -5.314 2.217 -10.540 1.00 0.00 N ATOM 690 CA PRO A 47 -5.516 1.526 -11.826 1.00 0.00 C ATOM 691 C PRO A 47 -6.953 1.009 -11.938 1.00 0.00 C ATOM 692 O PRO A 47 -7.344 0.444 -12.940 1.00 0.00 O ATOM 693 CB PRO A 47 -4.521 0.363 -11.768 1.00 0.00 C ATOM 694 CG PRO A 47 -4.226 0.116 -10.268 1.00 0.00 C ATOM 695 CD PRO A 47 -4.606 1.411 -9.525 1.00 0.00 C ATOM 0 HA PRO A 47 -5.360 2.173 -12.689 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.939 -0.529 -12.234 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.607 0.607 -12.309 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.804 -0.729 -9.894 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.174 -0.124 -10.115 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.243 1.204 -8.665 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.723 1.929 -9.150 1.00 0.00 H new ATOM 703 N LYS A 48 -7.738 1.198 -10.916 1.00 0.00 N ATOM 704 CA LYS A 48 -9.149 0.720 -10.960 1.00 0.00 C ATOM 705 C LYS A 48 -9.972 1.469 -9.911 1.00 0.00 C ATOM 706 O LYS A 48 -9.517 1.721 -8.814 1.00 0.00 O ATOM 707 CB LYS A 48 -9.188 -0.781 -10.664 1.00 0.00 C ATOM 708 CG LYS A 48 -9.450 -1.552 -11.960 1.00 0.00 C ATOM 709 CD LYS A 48 -10.859 -2.149 -11.922 1.00 0.00 C ATOM 710 CE LYS A 48 -11.892 -1.029 -12.057 1.00 0.00 C ATOM 711 NZ LYS A 48 -12.682 -1.232 -13.305 1.00 0.00 N ATOM 0 H LYS A 48 -7.464 1.663 -10.051 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.566 0.905 -11.950 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.243 -1.100 -10.224 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.969 -0.998 -9.935 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.348 -0.888 -12.818 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.711 -2.344 -12.080 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.982 -2.870 -12.730 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.012 -2.688 -10.987 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.554 -1.024 -11.191 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.393 -0.060 -12.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.385 -0.471 -13.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.044 -1.217 -14.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.169 -2.150 -13.262 1.00 0.00 H new ATOM 725 N ALA A 49 -11.185 1.825 -10.239 1.00 0.00 N ATOM 726 CA ALA A 49 -12.035 2.558 -9.260 1.00 0.00 C ATOM 727 C ALA A 49 -12.729 1.554 -8.335 1.00 0.00 C ATOM 728 O ALA A 49 -13.763 1.008 -8.662 1.00 0.00 O ATOM 729 CB ALA A 49 -13.091 3.373 -10.011 1.00 0.00 C ATOM 0 H ALA A 49 -11.623 1.640 -11.142 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.412 3.228 -8.668 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.713 3.910 -9.295 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -12.598 4.087 -10.670 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -13.714 2.703 -10.603 1.00 0.00 H new ATOM 735 N GLY A 50 -12.166 1.307 -7.184 1.00 0.00 N ATOM 736 CA GLY A 50 -12.794 0.338 -6.242 1.00 0.00 C ATOM 737 C GLY A 50 -12.251 0.572 -4.830 1.00 0.00 C ATOM 738 O GLY A 50 -11.845 1.664 -4.484 1.00 0.00 O ATOM 0 H GLY A 50 -11.300 1.734 -6.856 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.877 0.457 -6.251 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.583 -0.683 -6.560 1.00 0.00 H new ATOM 742 N VAL A 51 -12.240 -0.445 -4.013 1.00 0.00 N ATOM 743 CA VAL A 51 -11.723 -0.280 -2.625 1.00 0.00 C ATOM 744 C VAL A 51 -10.405 -1.044 -2.478 1.00 0.00 C ATOM 745 O VAL A 51 -10.239 -2.123 -3.010 1.00 0.00 O ATOM 746 CB VAL A 51 -12.746 -0.834 -1.632 1.00 0.00 C ATOM 747 CG1 VAL A 51 -12.942 -2.331 -1.880 1.00 0.00 C ATOM 748 CG2 VAL A 51 -12.238 -0.617 -0.204 1.00 0.00 C ATOM 0 H VAL A 51 -12.566 -1.383 -4.246 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.555 0.778 -2.423 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.696 -0.317 -1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.671 -2.725 -1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.303 -2.487 -2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -11.992 -2.849 -1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.966 -1.011 0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.287 -1.134 -0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.098 0.449 -0.026 1.00 0.00 H new ATOM 758 N VAL A 52 -9.466 -0.492 -1.759 1.00 0.00 N ATOM 759 CA VAL A 52 -8.160 -1.187 -1.580 1.00 0.00 C ATOM 760 C VAL A 52 -8.381 -2.498 -0.823 1.00 0.00 C ATOM 761 O VAL A 52 -9.195 -2.578 0.076 1.00 0.00 O ATOM 762 CB VAL A 52 -7.211 -0.291 -0.782 1.00 0.00 C ATOM 763 CG1 VAL A 52 -5.948 -1.076 -0.422 1.00 0.00 C ATOM 764 CG2 VAL A 52 -6.830 0.926 -1.627 1.00 0.00 C ATOM 0 H VAL A 52 -9.547 0.409 -1.288 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.724 -1.400 -2.556 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.706 0.039 0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.272 -0.437 0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.218 -1.944 0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.453 -1.407 -1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.154 1.566 -1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.336 0.595 -2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.729 1.486 -1.884 1.00 0.00 H new ATOM 774 N LYS A 53 -7.662 -3.528 -1.178 1.00 0.00 N ATOM 775 CA LYS A 53 -7.831 -4.832 -0.479 1.00 0.00 C ATOM 776 C LYS A 53 -6.626 -5.084 0.429 1.00 0.00 C ATOM 777 O LYS A 53 -6.766 -5.306 1.616 1.00 0.00 O ATOM 778 CB LYS A 53 -7.936 -5.955 -1.512 1.00 0.00 C ATOM 779 CG LYS A 53 -8.454 -7.226 -0.835 1.00 0.00 C ATOM 780 CD LYS A 53 -9.967 -7.116 -0.633 1.00 0.00 C ATOM 781 CE LYS A 53 -10.418 -8.145 0.405 1.00 0.00 C ATOM 782 NZ LYS A 53 -11.690 -7.690 1.034 1.00 0.00 N ATOM 0 H LYS A 53 -6.965 -3.522 -1.922 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.740 -4.807 0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.608 -5.660 -2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.961 -6.142 -1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.220 -8.098 -1.446 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.958 -7.368 0.125 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.229 -6.111 -0.302 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.484 -7.285 -1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.561 -9.116 -0.068 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.648 -8.271 1.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.998 -8.389 1.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.539 -6.772 1.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.423 -7.591 0.303 1.00 0.00 H new ATOM 796 N SER A 54 -5.442 -5.052 -0.118 1.00 0.00 N ATOM 797 CA SER A 54 -4.230 -5.290 0.714 1.00 0.00 C ATOM 798 C SER A 54 -3.065 -4.461 0.167 1.00 0.00 C ATOM 799 O SER A 54 -2.646 -4.630 -0.961 1.00 0.00 O ATOM 800 CB SER A 54 -3.864 -6.773 0.670 1.00 0.00 C ATOM 801 OG SER A 54 -4.879 -7.487 -0.024 1.00 0.00 O ATOM 0 H SER A 54 -5.262 -4.871 -1.106 1.00 0.00 H new ATOM 0 HA SER A 54 -4.433 -4.997 1.744 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.904 -6.908 0.172 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.756 -7.163 1.682 1.00 0.00 H new ATOM 0 HG SER A 54 -4.646 -8.439 -0.055 1.00 0.00 H new ATOM 807 N VAL A 55 -2.539 -3.567 0.959 1.00 0.00 N ATOM 808 CA VAL A 55 -1.402 -2.729 0.483 1.00 0.00 C ATOM 809 C VAL A 55 -0.088 -3.484 0.697 1.00 0.00 C ATOM 810 O VAL A 55 0.385 -3.623 1.808 1.00 0.00 O ATOM 811 CB VAL A 55 -1.371 -1.418 1.271 1.00 0.00 C ATOM 812 CG1 VAL A 55 -0.394 -0.446 0.607 1.00 0.00 C ATOM 813 CG2 VAL A 55 -2.772 -0.801 1.286 1.00 0.00 C ATOM 0 H VAL A 55 -2.847 -3.381 1.913 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.528 -2.513 -0.578 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.048 -1.616 2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.372 0.488 1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.604 -0.885 0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.717 -0.247 -0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.752 0.133 1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.094 -0.603 0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.469 -1.493 1.758 1.00 0.00 H new ATOM 823 N SER A 56 0.505 -3.972 -0.357 1.00 0.00 N ATOM 824 CA SER A 56 1.786 -4.719 -0.213 1.00 0.00 C ATOM 825 C SER A 56 2.961 -3.743 -0.324 1.00 0.00 C ATOM 826 O SER A 56 4.106 -4.142 -0.402 1.00 0.00 O ATOM 827 CB SER A 56 1.892 -5.770 -1.319 1.00 0.00 C ATOM 828 OG SER A 56 2.670 -5.250 -2.389 1.00 0.00 O ATOM 0 H SER A 56 0.158 -3.886 -1.312 1.00 0.00 H new ATOM 0 HA SER A 56 1.811 -5.211 0.759 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.350 -6.679 -0.930 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.898 -6.041 -1.675 1.00 0.00 H new ATOM 0 HG SER A 56 2.306 -4.384 -2.667 1.00 0.00 H new ATOM 834 N VAL A 57 2.686 -2.467 -0.331 1.00 0.00 N ATOM 835 CA VAL A 57 3.788 -1.469 -0.437 1.00 0.00 C ATOM 836 C VAL A 57 3.703 -0.490 0.735 1.00 0.00 C ATOM 837 O VAL A 57 2.665 -0.325 1.345 1.00 0.00 O ATOM 838 CB VAL A 57 3.656 -0.701 -1.754 1.00 0.00 C ATOM 839 CG1 VAL A 57 3.922 -1.648 -2.926 1.00 0.00 C ATOM 840 CG2 VAL A 57 2.239 -0.132 -1.870 1.00 0.00 C ATOM 0 H VAL A 57 1.747 -2.073 -0.268 1.00 0.00 H new ATOM 0 HA VAL A 57 4.748 -1.984 -0.412 1.00 0.00 H new ATOM 0 HB VAL A 57 4.380 0.114 -1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.828 -1.101 -3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.929 -2.056 -2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.198 -2.463 -2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.142 0.416 -2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.517 -0.948 -1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.048 0.542 -1.035 1.00 0.00 H new ATOM 850 N LYS A 58 4.788 0.161 1.057 1.00 0.00 N ATOM 851 CA LYS A 58 4.769 1.128 2.189 1.00 0.00 C ATOM 852 C LYS A 58 5.543 2.388 1.798 1.00 0.00 C ATOM 853 O LYS A 58 5.961 2.546 0.668 1.00 0.00 O ATOM 854 CB LYS A 58 5.422 0.489 3.418 1.00 0.00 C ATOM 855 CG LYS A 58 4.540 0.721 4.645 1.00 0.00 C ATOM 856 CD LYS A 58 3.283 -0.147 4.544 1.00 0.00 C ATOM 857 CE LYS A 58 2.687 -0.348 5.938 1.00 0.00 C ATOM 858 NZ LYS A 58 2.488 0.978 6.590 1.00 0.00 N ATOM 0 H LYS A 58 5.687 0.064 0.584 1.00 0.00 H new ATOM 0 HA LYS A 58 3.738 1.393 2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.561 -0.580 3.254 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.411 0.918 3.582 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.091 0.477 5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.263 1.773 4.713 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.552 0.328 3.890 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.529 -1.111 4.100 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.736 -0.876 5.866 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.350 -0.967 6.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.808 0.882 7.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.396 1.322 6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.120 1.656 5.892 1.00 0.00 H new ATOM 872 N LEU A 59 5.739 3.288 2.723 1.00 0.00 N ATOM 873 CA LEU A 59 6.486 4.536 2.402 1.00 0.00 C ATOM 874 C LEU A 59 7.989 4.280 2.540 1.00 0.00 C ATOM 875 O LEU A 59 8.442 3.689 3.500 1.00 0.00 O ATOM 876 CB LEU A 59 6.066 5.644 3.370 1.00 0.00 C ATOM 877 CG LEU A 59 6.455 5.251 4.796 1.00 0.00 C ATOM 878 CD1 LEU A 59 7.713 6.014 5.213 1.00 0.00 C ATOM 879 CD2 LEU A 59 5.309 5.599 5.749 1.00 0.00 C ATOM 0 H LEU A 59 5.414 3.212 3.687 1.00 0.00 H new ATOM 0 HA LEU A 59 6.262 4.842 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.548 6.583 3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.990 5.808 3.307 1.00 0.00 H new ATOM 0 HG LEU A 59 6.652 4.180 4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.989 5.733 6.229 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.530 5.768 4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.518 7.086 5.173 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.584 5.320 6.766 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.114 6.671 5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.412 5.055 5.453 1.00 0.00 H new ATOM 891 N GLY A 60 8.764 4.721 1.588 1.00 0.00 N ATOM 892 CA GLY A 60 10.236 4.502 1.665 1.00 0.00 C ATOM 893 C GLY A 60 10.560 3.056 1.286 1.00 0.00 C ATOM 894 O GLY A 60 11.677 2.601 1.434 1.00 0.00 O ATOM 0 H GLY A 60 8.442 5.223 0.761 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.752 5.189 0.994 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.593 4.713 2.673 1.00 0.00 H new ATOM 898 N ASP A 61 9.592 2.329 0.798 1.00 0.00 N ATOM 899 CA ASP A 61 9.847 0.913 0.411 1.00 0.00 C ATOM 900 C ASP A 61 10.407 0.867 -1.013 1.00 0.00 C ATOM 901 O ASP A 61 10.046 1.663 -1.858 1.00 0.00 O ATOM 902 CB ASP A 61 8.537 0.125 0.469 1.00 0.00 C ATOM 903 CG ASP A 61 8.315 -0.394 1.890 1.00 0.00 C ATOM 904 OD1 ASP A 61 9.148 -0.116 2.738 1.00 0.00 O ATOM 905 OD2 ASP A 61 7.318 -1.061 2.109 1.00 0.00 O ATOM 0 H ASP A 61 8.637 2.654 0.651 1.00 0.00 H new ATOM 0 HA ASP A 61 10.567 0.472 1.100 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.704 0.761 0.169 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.571 -0.708 -0.233 1.00 0.00 H new ATOM 910 N LYS A 62 11.287 -0.057 -1.285 1.00 0.00 N ATOM 911 CA LYS A 62 11.868 -0.151 -2.654 1.00 0.00 C ATOM 912 C LYS A 62 11.294 -1.375 -3.370 1.00 0.00 C ATOM 913 O LYS A 62 11.249 -2.460 -2.825 1.00 0.00 O ATOM 914 CB LYS A 62 13.390 -0.285 -2.554 1.00 0.00 C ATOM 915 CG LYS A 62 13.945 0.832 -1.669 1.00 0.00 C ATOM 916 CD LYS A 62 14.182 0.294 -0.256 1.00 0.00 C ATOM 917 CE LYS A 62 14.738 1.411 0.629 1.00 0.00 C ATOM 918 NZ LYS A 62 16.054 0.992 1.190 1.00 0.00 N ATOM 0 H LYS A 62 11.629 -0.750 -0.619 1.00 0.00 H new ATOM 0 HA LYS A 62 11.618 0.748 -3.217 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.653 -1.257 -2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.836 -0.232 -3.547 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.878 1.211 -2.086 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.246 1.668 -1.639 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.249 -0.085 0.161 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.881 -0.542 -0.286 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.853 2.326 0.048 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.040 1.631 1.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.432 1.751 1.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.931 0.129 1.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.718 0.803 0.413 1.00 0.00 H new ATOM 932 N LEU A 63 10.856 -1.210 -4.589 1.00 0.00 N ATOM 933 CA LEU A 63 10.286 -2.364 -5.339 1.00 0.00 C ATOM 934 C LEU A 63 10.759 -2.309 -6.793 1.00 0.00 C ATOM 935 O LEU A 63 10.664 -1.290 -7.449 1.00 0.00 O ATOM 936 CB LEU A 63 8.758 -2.298 -5.296 1.00 0.00 C ATOM 937 CG LEU A 63 8.285 -2.339 -3.842 1.00 0.00 C ATOM 938 CD1 LEU A 63 7.402 -1.124 -3.557 1.00 0.00 C ATOM 939 CD2 LEU A 63 7.480 -3.619 -3.606 1.00 0.00 C ATOM 0 H LEU A 63 10.869 -0.326 -5.097 1.00 0.00 H new ATOM 0 HA LEU A 63 10.621 -3.295 -4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.409 -1.384 -5.777 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.332 -3.133 -5.852 1.00 0.00 H new ATOM 0 HG LEU A 63 9.149 -2.323 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.065 -1.154 -2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.973 -0.211 -3.727 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.537 -1.139 -4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.142 -3.650 -2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.616 -3.633 -4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.108 -4.486 -3.809 1.00 0.00 H new ATOM 951 N LYS A 64 11.269 -3.396 -7.303 1.00 0.00 N ATOM 952 CA LYS A 64 11.748 -3.404 -8.714 1.00 0.00 C ATOM 953 C LYS A 64 10.631 -3.905 -9.631 1.00 0.00 C ATOM 954 O LYS A 64 9.844 -4.753 -9.259 1.00 0.00 O ATOM 955 CB LYS A 64 12.961 -4.331 -8.835 1.00 0.00 C ATOM 956 CG LYS A 64 13.565 -4.200 -10.234 1.00 0.00 C ATOM 957 CD LYS A 64 14.973 -4.800 -10.240 1.00 0.00 C ATOM 958 CE LYS A 64 15.684 -4.421 -11.540 1.00 0.00 C ATOM 959 NZ LYS A 64 15.524 -5.522 -12.533 1.00 0.00 N ATOM 0 H LYS A 64 11.375 -4.279 -6.804 1.00 0.00 H new ATOM 0 HA LYS A 64 12.031 -2.393 -9.007 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.705 -4.075 -8.081 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.663 -5.363 -8.651 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.937 -4.712 -10.962 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.604 -3.151 -10.528 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.539 -4.434 -9.383 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.918 -5.885 -10.146 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.269 -3.495 -11.938 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.742 -4.240 -11.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.007 -5.265 -13.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.940 -6.396 -12.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.513 -5.674 -12.723 1.00 0.00 H new ATOM 973 N GLU A 65 10.554 -3.384 -10.826 1.00 0.00 N ATOM 974 CA GLU A 65 9.489 -3.825 -11.767 1.00 0.00 C ATOM 975 C GLU A 65 9.347 -5.347 -11.706 1.00 0.00 C ATOM 976 O GLU A 65 10.298 -6.078 -11.901 1.00 0.00 O ATOM 977 CB GLU A 65 9.862 -3.405 -13.191 1.00 0.00 C ATOM 978 CG GLU A 65 8.737 -2.555 -13.784 1.00 0.00 C ATOM 979 CD GLU A 65 8.493 -2.971 -15.235 1.00 0.00 C ATOM 980 OE1 GLU A 65 9.335 -2.672 -16.067 1.00 0.00 O ATOM 981 OE2 GLU A 65 7.468 -3.582 -15.491 1.00 0.00 O ATOM 0 H GLU A 65 11.185 -2.670 -11.190 1.00 0.00 H new ATOM 0 HA GLU A 65 8.543 -3.362 -11.485 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.794 -2.839 -13.182 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.030 -4.287 -13.809 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.825 -2.681 -13.200 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.002 -1.499 -13.737 1.00 0.00 H new ATOM 988 N GLY A 66 8.166 -5.832 -11.434 1.00 0.00 N ATOM 989 CA GLY A 66 7.965 -7.307 -11.359 1.00 0.00 C ATOM 990 C GLY A 66 7.388 -7.674 -9.991 1.00 0.00 C ATOM 991 O GLY A 66 6.713 -8.672 -9.839 1.00 0.00 O ATOM 0 H GLY A 66 7.332 -5.271 -11.261 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.290 -7.633 -12.150 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.913 -7.822 -11.516 1.00 0.00 H new ATOM 995 N ASP A 67 7.647 -6.873 -8.993 1.00 0.00 N ATOM 996 CA ASP A 67 7.114 -7.177 -7.636 1.00 0.00 C ATOM 997 C ASP A 67 5.690 -6.628 -7.513 1.00 0.00 C ATOM 998 O ASP A 67 5.424 -5.489 -7.841 1.00 0.00 O ATOM 999 CB ASP A 67 8.004 -6.523 -6.578 1.00 0.00 C ATOM 1000 CG ASP A 67 9.229 -7.406 -6.325 1.00 0.00 C ATOM 1001 OD1 ASP A 67 9.795 -7.891 -7.290 1.00 0.00 O ATOM 1002 OD2 ASP A 67 9.579 -7.581 -5.169 1.00 0.00 O ATOM 0 H ASP A 67 8.205 -6.022 -9.060 1.00 0.00 H new ATOM 0 HA ASP A 67 7.103 -8.256 -7.484 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.318 -5.534 -6.912 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.445 -6.384 -5.653 1.00 0.00 H new ATOM 1007 N ALA A 68 4.774 -7.429 -7.043 1.00 0.00 N ATOM 1008 CA ALA A 68 3.370 -6.953 -6.900 1.00 0.00 C ATOM 1009 C ALA A 68 3.358 -5.610 -6.168 1.00 0.00 C ATOM 1010 O ALA A 68 4.386 -5.097 -5.773 1.00 0.00 O ATOM 1011 CB ALA A 68 2.564 -7.977 -6.097 1.00 0.00 C ATOM 0 H ALA A 68 4.937 -8.393 -6.752 1.00 0.00 H new ATOM 0 HA ALA A 68 2.925 -6.833 -7.888 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.536 -7.629 -5.992 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.572 -8.935 -6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.009 -8.097 -5.109 1.00 0.00 H new ATOM 1017 N ILE A 69 2.200 -5.035 -5.984 1.00 0.00 N ATOM 1018 CA ILE A 69 2.121 -3.725 -5.277 1.00 0.00 C ATOM 1019 C ILE A 69 0.838 -3.672 -4.447 1.00 0.00 C ATOM 1020 O ILE A 69 0.875 -3.617 -3.233 1.00 0.00 O ATOM 1021 CB ILE A 69 2.112 -2.592 -6.304 1.00 0.00 C ATOM 1022 CG1 ILE A 69 3.458 -2.555 -7.034 1.00 0.00 C ATOM 1023 CG2 ILE A 69 1.883 -1.259 -5.591 1.00 0.00 C ATOM 1024 CD1 ILE A 69 4.542 -2.047 -6.080 1.00 0.00 C ATOM 0 H ILE A 69 1.306 -5.416 -6.293 1.00 0.00 H new ATOM 0 HA ILE A 69 2.984 -3.613 -4.620 1.00 0.00 H new ATOM 0 HB ILE A 69 1.312 -2.761 -7.024 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.715 -3.550 -7.396 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.393 -1.905 -7.907 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.877 -0.451 -6.323 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.926 -1.285 -5.070 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.683 -1.089 -4.871 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.500 -2.020 -6.599 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.286 -1.044 -5.739 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.613 -2.715 -5.221 1.00 0.00 H new ATOM 1036 N ILE A 70 -0.297 -3.686 -5.089 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.581 -3.635 -4.335 1.00 0.00 C ATOM 1038 C ILE A 70 -2.673 -4.346 -5.138 1.00 0.00 C ATOM 1039 O ILE A 70 -2.448 -4.802 -6.241 1.00 0.00 O ATOM 1040 CB ILE A 70 -1.982 -2.177 -4.109 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -1.942 -1.425 -5.442 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -1.008 -1.524 -3.127 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -3.237 -0.632 -5.621 1.00 0.00 C ATOM 0 H ILE A 70 -0.391 -3.731 -6.104 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.457 -4.131 -3.372 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.991 -2.138 -3.698 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.085 -0.752 -5.466 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.818 -2.129 -6.265 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.295 -0.485 -2.967 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.036 -2.059 -2.177 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.002 -1.563 -3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.208 -0.097 -6.570 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.086 -1.316 -5.616 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.342 0.083 -4.805 1.00 0.00 H new ATOM 1055 N GLU A 71 -3.855 -4.443 -4.593 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.960 -5.125 -5.326 1.00 0.00 C ATOM 1057 C GLU A 71 -6.280 -4.404 -5.045 1.00 0.00 C ATOM 1058 O GLU A 71 -6.543 -3.979 -3.936 1.00 0.00 O ATOM 1059 CB GLU A 71 -5.062 -6.577 -4.857 1.00 0.00 C ATOM 1060 CG GLU A 71 -6.079 -7.323 -5.723 1.00 0.00 C ATOM 1061 CD GLU A 71 -5.638 -8.779 -5.889 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -5.674 -9.504 -4.909 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -5.273 -9.143 -6.995 1.00 0.00 O ATOM 0 H GLU A 71 -4.103 -4.080 -3.673 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.755 -5.102 -6.396 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.088 -7.061 -4.923 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.365 -6.612 -3.810 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.066 -7.281 -5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.163 -6.844 -6.698 1.00 0.00 H new ATOM 1070 N LEU A 72 -7.114 -4.263 -6.039 1.00 0.00 N ATOM 1071 CA LEU A 72 -8.416 -3.570 -5.828 1.00 0.00 C ATOM 1072 C LEU A 72 -9.549 -4.597 -5.857 1.00 0.00 C ATOM 1073 O LEU A 72 -9.524 -5.544 -6.617 1.00 0.00 O ATOM 1074 CB LEU A 72 -8.633 -2.540 -6.940 1.00 0.00 C ATOM 1075 CG LEU A 72 -9.973 -1.834 -6.728 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -9.760 -0.319 -6.745 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -10.936 -2.226 -7.851 1.00 0.00 C ATOM 0 H LEU A 72 -6.950 -4.598 -6.988 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.407 -3.065 -4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.822 -1.812 -6.939 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.619 -3.031 -7.913 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.393 -2.130 -5.767 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.715 0.184 -6.594 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.072 -0.039 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.341 -0.021 -7.706 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.892 -1.724 -7.702 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.515 -1.928 -8.811 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.087 -3.305 -7.840 1.00 0.00 H new ATOM 1089 N GLU A 73 -10.545 -4.418 -5.032 1.00 0.00 N ATOM 1090 CA GLU A 73 -11.679 -5.385 -5.010 1.00 0.00 C ATOM 1091 C GLU A 73 -13.004 -4.618 -5.065 1.00 0.00 C ATOM 1092 O GLU A 73 -13.557 -4.268 -4.041 1.00 0.00 O ATOM 1093 CB GLU A 73 -11.619 -6.212 -3.725 1.00 0.00 C ATOM 1094 CG GLU A 73 -12.802 -7.182 -3.686 1.00 0.00 C ATOM 1095 CD GLU A 73 -12.282 -8.619 -3.638 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -11.391 -8.880 -2.847 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -12.784 -9.436 -4.393 1.00 0.00 O ATOM 0 H GLU A 73 -10.622 -3.644 -4.372 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.608 -6.049 -5.871 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.680 -6.764 -3.679 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.645 -5.555 -2.856 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.423 -6.980 -2.814 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.431 -7.041 -4.565 1.00 0.00 H new ATOM 1104 N PRO A 74 -13.472 -4.382 -6.264 1.00 0.00 N ATOM 1105 CA PRO A 74 -14.735 -3.658 -6.495 1.00 0.00 C ATOM 1106 C PRO A 74 -15.932 -4.581 -6.250 1.00 0.00 C ATOM 1107 O PRO A 74 -16.396 -5.262 -7.142 1.00 0.00 O ATOM 1108 CB PRO A 74 -14.649 -3.253 -7.969 1.00 0.00 C ATOM 1109 CG PRO A 74 -13.648 -4.228 -8.634 1.00 0.00 C ATOM 1110 CD PRO A 74 -12.787 -4.816 -7.499 1.00 0.00 C ATOM 0 HA PRO A 74 -14.870 -2.805 -5.830 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.627 -3.316 -8.446 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.311 -2.222 -8.069 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.174 -5.018 -9.170 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.026 -3.708 -9.363 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.732 -5.903 -7.563 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.764 -4.442 -7.540 1.00 0.00 H new ATOM 1118 N ALA A 75 -16.436 -4.607 -5.046 1.00 0.00 N ATOM 1119 CA ALA A 75 -17.603 -5.485 -4.746 1.00 0.00 C ATOM 1120 C ALA A 75 -18.403 -4.889 -3.587 1.00 0.00 C ATOM 1121 O ALA A 75 -19.595 -4.673 -3.689 1.00 0.00 O ATOM 1122 CB ALA A 75 -17.105 -6.879 -4.360 1.00 0.00 C ATOM 0 H ALA A 75 -16.091 -4.059 -4.258 1.00 0.00 H new ATOM 0 HA ALA A 75 -18.240 -5.558 -5.627 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -17.957 -7.522 -4.140 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -16.534 -7.303 -5.186 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -16.468 -6.807 -3.478 1.00 0.00 H new ATOM 1128 N ALA A 76 -17.759 -4.623 -2.483 1.00 0.00 N ATOM 1129 CA ALA A 76 -18.485 -4.042 -1.319 1.00 0.00 C ATOM 1130 C ALA A 76 -17.482 -3.384 -0.369 1.00 0.00 C ATOM 1131 O ALA A 76 -16.363 -3.835 -0.222 1.00 0.00 O ATOM 1132 CB ALA A 76 -19.234 -5.152 -0.580 1.00 0.00 C ATOM 0 H ALA A 76 -16.762 -4.783 -2.337 1.00 0.00 H new ATOM 0 HA ALA A 76 -19.197 -3.295 -1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -19.765 -4.728 0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -19.948 -5.621 -1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -18.523 -5.899 -0.228 1.00 0.00 H new ATOM 1138 N GLY A 77 -17.873 -2.319 0.276 1.00 0.00 N ATOM 1139 CA GLY A 77 -16.940 -1.634 1.215 1.00 0.00 C ATOM 1140 C GLY A 77 -16.574 -2.583 2.358 1.00 0.00 C ATOM 1141 O GLY A 77 -15.741 -3.456 2.209 1.00 0.00 O ATOM 0 H GLY A 77 -18.797 -1.894 0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -16.040 -1.322 0.686 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -17.405 -0.732 1.613 1.00 0.00 H new ATOM 1145 N ALA A 78 -17.189 -2.420 3.497 1.00 0.00 N ATOM 1146 CA ALA A 78 -16.875 -3.314 4.647 1.00 0.00 C ATOM 1147 C ALA A 78 -17.615 -4.643 4.477 1.00 0.00 C ATOM 1148 O ALA A 78 -18.354 -4.837 3.532 1.00 0.00 O ATOM 1149 CB ALA A 78 -17.320 -2.646 5.949 1.00 0.00 C ATOM 0 H ALA A 78 -17.895 -1.707 3.681 1.00 0.00 H new ATOM 0 HA ALA A 78 -15.801 -3.498 4.681 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -17.090 -3.300 6.790 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -16.793 -1.699 6.071 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -18.394 -2.462 5.915 1.00 0.00 H new ATOM 1155 N ARG A 79 -17.423 -5.560 5.386 1.00 0.00 N ATOM 1156 CA ARG A 79 -18.116 -6.874 5.275 1.00 0.00 C ATOM 1157 C ARG A 79 -19.524 -6.760 5.864 1.00 0.00 C ATOM 1158 O ARG A 79 -19.924 -7.670 6.570 1.00 0.00 O ATOM 1159 CB ARG A 79 -17.325 -7.935 6.044 1.00 0.00 C ATOM 1160 CG ARG A 79 -16.539 -8.801 5.058 1.00 0.00 C ATOM 1161 CD ARG A 79 -17.419 -9.956 4.579 1.00 0.00 C ATOM 1162 NE ARG A 79 -16.610 -11.205 4.519 1.00 0.00 N ATOM 1163 CZ ARG A 79 -17.107 -12.279 3.970 1.00 0.00 C ATOM 1164 NH1 ARG A 79 -18.400 -12.416 3.857 1.00 0.00 N ATOM 1165 NH2 ARG A 79 -16.312 -13.218 3.533 1.00 0.00 N ATOM 0 H ARG A 79 -16.817 -5.456 6.200 1.00 0.00 H new ATOM 0 HA ARG A 79 -18.184 -7.161 4.226 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -16.644 -7.457 6.747 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -18.003 -8.556 6.629 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.215 -8.200 4.208 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -15.639 -9.189 5.536 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -18.263 -10.089 5.256 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.831 -9.730 3.596 1.00 0.00 H new ATOM 0 HE ARG A 79 -15.667 -11.221 4.907 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -19.022 -11.683 4.198 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -18.788 -13.256 3.428 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -15.301 -13.112 3.621 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -16.702 -14.057 3.104 1.00 0.00 H new TER 1179 ARG A 79