USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 577 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 5 LYS NZ :NH3+ 146:sc= -0.239 (180deg=-1.14!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0791 USER MOD Single : A 20 THR OG1 : rot -10:sc= 0.959 USER MOD Single : A 22 HIS : no HD1:sc= -7.13! C(o=-7.1!,f=-13!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 144:sc=-0.000792 (180deg=-0.136) USER MOD Single : A 40 THR OG1 : rot 103:sc= 0.958 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -150:sc= -0.371 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 -8.563 8.461 -0.183 1.00 0.00 N ATOM 14 CA ILE A 2 -7.284 7.983 0.413 1.00 0.00 C ATOM 15 C ILE A 2 -6.223 7.865 -0.683 1.00 0.00 C ATOM 16 O ILE A 2 -6.240 6.949 -1.480 1.00 0.00 O ATOM 17 CB ILE A 2 -7.503 6.614 1.060 1.00 0.00 C ATOM 18 CG1 ILE A 2 -8.806 6.634 1.862 1.00 0.00 C ATOM 19 CG2 ILE A 2 -6.335 6.298 1.996 1.00 0.00 C ATOM 20 CD1 ILE A 2 -9.162 5.209 2.292 1.00 0.00 C ATOM 0 HA ILE A 2 -6.948 8.693 1.169 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.563 5.851 0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.697 7.273 2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -9.610 7.055 1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.492 5.323 2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.406 6.285 1.427 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.274 7.060 2.773 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -10.090 5.223 2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -9.289 4.583 1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -8.361 4.805 2.911 1.00 0.00 H new ATOM 32 N ASP A 3 -5.299 8.785 -0.729 1.00 0.00 N ATOM 33 CA ASP A 3 -4.238 8.725 -1.774 1.00 0.00 C ATOM 34 C ASP A 3 -3.334 7.518 -1.514 1.00 0.00 C ATOM 35 O ASP A 3 -2.795 7.355 -0.437 1.00 0.00 O ATOM 36 CB ASP A 3 -3.404 10.007 -1.727 1.00 0.00 C ATOM 37 CG ASP A 3 -2.529 10.092 -2.980 1.00 0.00 C ATOM 38 OD1 ASP A 3 -1.712 9.206 -3.169 1.00 0.00 O ATOM 39 OD2 ASP A 3 -2.691 11.040 -3.729 1.00 0.00 O ATOM 0 H ASP A 3 -5.233 9.576 -0.088 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.700 8.628 -2.756 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -4.058 10.877 -1.667 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.780 10.015 -0.833 1.00 0.00 H new ATOM 44 N ILE A 4 -3.164 6.671 -2.491 1.00 0.00 N ATOM 45 CA ILE A 4 -2.295 5.476 -2.298 1.00 0.00 C ATOM 46 C ILE A 4 -0.962 5.695 -3.016 1.00 0.00 C ATOM 47 O ILE A 4 -0.915 5.895 -4.214 1.00 0.00 O ATOM 48 CB ILE A 4 -2.990 4.242 -2.877 1.00 0.00 C ATOM 49 CG1 ILE A 4 -4.498 4.350 -2.643 1.00 0.00 C ATOM 50 CG2 ILE A 4 -2.456 2.985 -2.187 1.00 0.00 C ATOM 51 CD1 ILE A 4 -4.774 4.471 -1.143 1.00 0.00 C ATOM 0 H ILE A 4 -3.589 6.754 -3.414 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.114 5.325 -1.234 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.791 4.181 -3.947 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.897 5.218 -3.168 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.003 3.473 -3.047 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.951 2.106 -2.599 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.381 2.908 -2.353 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.655 3.045 -1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.848 4.548 -0.976 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.389 3.590 -0.630 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.281 5.362 -0.753 1.00 0.00 H new ATOM 63 N LYS A 5 0.125 5.658 -2.294 1.00 0.00 N ATOM 64 CA LYS A 5 1.454 5.863 -2.936 1.00 0.00 C ATOM 65 C LYS A 5 2.451 4.844 -2.381 1.00 0.00 C ATOM 66 O LYS A 5 2.137 4.072 -1.498 1.00 0.00 O ATOM 67 CB LYS A 5 1.951 7.279 -2.636 1.00 0.00 C ATOM 68 CG LYS A 5 1.536 7.677 -1.219 1.00 0.00 C ATOM 69 CD LYS A 5 2.582 8.625 -0.628 1.00 0.00 C ATOM 70 CE LYS A 5 2.195 10.072 -0.943 1.00 0.00 C ATOM 71 NZ LYS A 5 0.905 10.398 -0.272 1.00 0.00 N ATOM 0 H LYS A 5 0.150 5.495 -1.287 1.00 0.00 H new ATOM 0 HA LYS A 5 1.362 5.731 -4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.036 7.323 -2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.536 7.982 -3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.560 8.161 -1.237 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.440 6.789 -0.594 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.650 8.482 0.450 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.565 8.402 -1.042 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.976 10.751 -0.602 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.102 10.209 -2.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.909 11.396 0.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.119 10.234 -0.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.786 9.792 0.565 1.00 0.00 H new ATOM 85 N ALA A 6 3.651 4.835 -2.894 1.00 0.00 N ATOM 86 CA ALA A 6 4.666 3.865 -2.396 1.00 0.00 C ATOM 87 C ALA A 6 5.278 4.391 -1.093 1.00 0.00 C ATOM 88 O ALA A 6 5.243 5.576 -0.828 1.00 0.00 O ATOM 89 CB ALA A 6 5.767 3.696 -3.444 1.00 0.00 C ATOM 0 H ALA A 6 3.972 5.457 -3.636 1.00 0.00 H new ATOM 0 HA ALA A 6 4.189 2.902 -2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.510 2.986 -3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.332 3.323 -4.371 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.244 4.658 -3.629 1.00 0.00 H new ATOM 95 N PRO A 7 5.823 3.487 -0.319 1.00 0.00 N ATOM 96 CA PRO A 7 6.456 3.820 0.968 1.00 0.00 C ATOM 97 C PRO A 7 7.851 4.412 0.742 1.00 0.00 C ATOM 98 O PRO A 7 8.476 4.179 -0.274 1.00 0.00 O ATOM 99 CB PRO A 7 6.545 2.470 1.684 1.00 0.00 C ATOM 100 CG PRO A 7 6.493 1.386 0.581 1.00 0.00 C ATOM 101 CD PRO A 7 5.858 2.049 -0.657 1.00 0.00 C ATOM 0 HA PRO A 7 5.901 4.564 1.539 1.00 0.00 H new ATOM 0 HB2 PRO A 7 7.468 2.395 2.259 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.721 2.348 2.387 1.00 0.00 H new ATOM 0 HG2 PRO A 7 7.493 1.017 0.353 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.903 0.529 0.907 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.449 1.865 -1.554 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.858 1.660 -0.848 1.00 0.00 H new ATOM 109 N THR A 8 8.342 5.174 1.680 1.00 0.00 N ATOM 110 CA THR A 8 9.694 5.778 1.516 1.00 0.00 C ATOM 111 C THR A 8 10.755 4.677 1.573 1.00 0.00 C ATOM 112 O THR A 8 10.888 3.980 2.559 1.00 0.00 O ATOM 113 CB THR A 8 9.943 6.784 2.643 1.00 0.00 C ATOM 114 OG1 THR A 8 8.998 7.842 2.548 1.00 0.00 O ATOM 115 CG2 THR A 8 11.359 7.350 2.522 1.00 0.00 C ATOM 0 H THR A 8 7.866 5.404 2.552 1.00 0.00 H new ATOM 0 HA THR A 8 9.750 6.288 0.554 1.00 0.00 H new ATOM 0 HB THR A 8 9.836 6.285 3.606 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.155 8.486 3.270 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.535 8.066 3.325 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.083 6.538 2.595 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.470 7.850 1.560 1.00 0.00 H new ATOM 123 N PHE A 9 11.511 4.515 0.521 1.00 0.00 N ATOM 124 CA PHE A 9 12.562 3.459 0.517 1.00 0.00 C ATOM 125 C PHE A 9 13.730 3.896 1.404 1.00 0.00 C ATOM 126 O PHE A 9 13.946 5.075 1.606 1.00 0.00 O ATOM 127 CB PHE A 9 13.061 3.243 -0.914 1.00 0.00 C ATOM 128 CG PHE A 9 11.885 2.981 -1.823 1.00 0.00 C ATOM 129 CD1 PHE A 9 11.008 1.924 -1.549 1.00 0.00 C ATOM 130 CD2 PHE A 9 11.671 3.797 -2.943 1.00 0.00 C ATOM 131 CE1 PHE A 9 9.916 1.682 -2.393 1.00 0.00 C ATOM 132 CE2 PHE A 9 10.579 3.554 -3.788 1.00 0.00 C ATOM 133 CZ PHE A 9 9.702 2.496 -3.513 1.00 0.00 C ATOM 0 H PHE A 9 11.446 5.067 -0.334 1.00 0.00 H new ATOM 0 HA PHE A 9 12.144 2.529 0.901 1.00 0.00 H new ATOM 0 HB2 PHE A 9 13.610 4.121 -1.255 1.00 0.00 H new ATOM 0 HB3 PHE A 9 13.753 2.402 -0.946 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.173 1.295 -0.687 1.00 0.00 H new ATOM 0 HD2 PHE A 9 12.347 4.612 -3.155 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.239 0.868 -2.180 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.414 4.182 -4.651 1.00 0.00 H new ATOM 0 HZ PHE A 9 8.861 2.308 -4.164 1.00 0.00 H new ATOM 143 N PRO A 10 14.451 2.928 1.909 1.00 0.00 N ATOM 144 CA PRO A 10 15.610 3.173 2.784 1.00 0.00 C ATOM 145 C PRO A 10 16.826 3.593 1.955 1.00 0.00 C ATOM 146 O PRO A 10 16.735 3.794 0.759 1.00 0.00 O ATOM 147 CB PRO A 10 15.847 1.816 3.454 1.00 0.00 C ATOM 148 CG PRO A 10 15.203 0.755 2.529 1.00 0.00 C ATOM 149 CD PRO A 10 14.176 1.498 1.655 1.00 0.00 C ATOM 0 HA PRO A 10 15.443 3.974 3.504 1.00 0.00 H new ATOM 0 HB2 PRO A 10 16.913 1.626 3.580 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.399 1.789 4.447 1.00 0.00 H new ATOM 0 HG2 PRO A 10 15.959 0.270 1.911 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.720 -0.027 3.114 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.297 1.250 0.600 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.155 1.234 1.929 1.00 0.00 H new ATOM 157 N GLU A 11 17.965 3.728 2.579 1.00 0.00 N ATOM 158 CA GLU A 11 19.184 4.135 1.825 1.00 0.00 C ATOM 159 C GLU A 11 19.669 2.963 0.969 1.00 0.00 C ATOM 160 O GLU A 11 19.931 3.110 -0.208 1.00 0.00 O ATOM 161 CB GLU A 11 20.283 4.535 2.811 1.00 0.00 C ATOM 162 CG GLU A 11 20.302 6.057 2.965 1.00 0.00 C ATOM 163 CD GLU A 11 19.507 6.457 4.209 1.00 0.00 C ATOM 164 OE1 GLU A 11 19.497 5.684 5.154 1.00 0.00 O ATOM 165 OE2 GLU A 11 18.922 7.527 4.196 1.00 0.00 O ATOM 0 H GLU A 11 18.103 3.574 3.578 1.00 0.00 H new ATOM 0 HA GLU A 11 18.947 4.982 1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 11 20.108 4.063 3.778 1.00 0.00 H new ATOM 0 HB3 GLU A 11 21.251 4.183 2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.329 6.411 3.048 1.00 0.00 H new ATOM 0 HG3 GLU A 11 19.873 6.528 2.080 1.00 0.00 H new ATOM 172 N SER A 12 19.793 1.802 1.553 1.00 0.00 N ATOM 173 CA SER A 12 20.263 0.621 0.778 1.00 0.00 C ATOM 174 C SER A 12 19.576 0.598 -0.589 1.00 0.00 C ATOM 175 O SER A 12 20.118 0.104 -1.558 1.00 0.00 O ATOM 176 CB SER A 12 19.919 -0.659 1.542 1.00 0.00 C ATOM 177 OG SER A 12 21.017 -1.560 1.463 1.00 0.00 O ATOM 0 H SER A 12 19.588 1.621 2.536 1.00 0.00 H new ATOM 0 HA SER A 12 21.342 0.685 0.640 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.698 -0.427 2.584 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.025 -1.119 1.121 1.00 0.00 H new ATOM 0 HG SER A 12 20.802 -2.381 1.953 1.00 0.00 H new ATOM 183 N ILE A 13 18.386 1.128 -0.675 1.00 0.00 N ATOM 184 CA ILE A 13 17.667 1.135 -1.980 1.00 0.00 C ATOM 185 C ILE A 13 17.349 2.577 -2.380 1.00 0.00 C ATOM 186 O ILE A 13 17.090 3.420 -1.543 1.00 0.00 O ATOM 187 CB ILE A 13 16.365 0.343 -1.849 1.00 0.00 C ATOM 188 CG1 ILE A 13 16.686 -1.108 -1.484 1.00 0.00 C ATOM 189 CG2 ILE A 13 15.608 0.378 -3.178 1.00 0.00 C ATOM 190 CD1 ILE A 13 15.845 -1.530 -0.279 1.00 0.00 C ATOM 0 H ILE A 13 17.881 1.556 0.101 1.00 0.00 H new ATOM 0 HA ILE A 13 18.296 0.677 -2.743 1.00 0.00 H new ATOM 0 HB ILE A 13 15.748 0.787 -1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.479 -1.761 -2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.747 -1.210 -1.254 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.680 -0.187 -3.083 1.00 0.00 H new ATOM 0 HG22 ILE A 13 15.379 1.411 -3.439 1.00 0.00 H new ATOM 0 HG23 ILE A 13 16.225 -0.066 -3.960 1.00 0.00 H new ATOM 0 HD11 ILE A 13 16.074 -2.564 -0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 13 16.074 -0.884 0.569 1.00 0.00 H new ATOM 0 HD13 ILE A 13 14.787 -1.444 -0.526 1.00 0.00 H new ATOM 202 N ALA A 14 17.368 2.869 -3.651 1.00 0.00 N ATOM 203 CA ALA A 14 17.066 4.257 -4.102 1.00 0.00 C ATOM 204 C ALA A 14 15.767 4.263 -4.911 1.00 0.00 C ATOM 205 O ALA A 14 15.341 5.286 -5.408 1.00 0.00 O ATOM 206 CB ALA A 14 18.213 4.769 -4.976 1.00 0.00 C ATOM 0 H ALA A 14 17.580 2.207 -4.397 1.00 0.00 H new ATOM 0 HA ALA A 14 16.953 4.904 -3.232 1.00 0.00 H new ATOM 0 HB1 ALA A 14 17.993 5.784 -5.307 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.138 4.767 -4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 14 18.326 4.121 -5.845 1.00 0.00 H new ATOM 212 N ASP A 15 15.133 3.130 -5.048 1.00 0.00 N ATOM 213 CA ASP A 15 13.863 3.077 -5.826 1.00 0.00 C ATOM 214 C ASP A 15 13.307 1.651 -5.798 1.00 0.00 C ATOM 215 O ASP A 15 13.794 0.799 -5.081 1.00 0.00 O ATOM 216 CB ASP A 15 14.133 3.490 -7.274 1.00 0.00 C ATOM 217 CG ASP A 15 15.527 3.016 -7.689 1.00 0.00 C ATOM 218 OD1 ASP A 15 15.690 1.823 -7.886 1.00 0.00 O ATOM 219 OD2 ASP A 15 16.407 3.853 -7.802 1.00 0.00 O ATOM 0 H ASP A 15 15.439 2.240 -4.655 1.00 0.00 H new ATOM 0 HA ASP A 15 13.138 3.759 -5.383 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.380 3.058 -7.933 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.061 4.573 -7.374 1.00 0.00 H new ATOM 224 N GLY A 16 12.290 1.385 -6.571 1.00 0.00 N ATOM 225 CA GLY A 16 11.706 0.015 -6.588 1.00 0.00 C ATOM 226 C GLY A 16 10.977 -0.215 -7.914 1.00 0.00 C ATOM 227 O GLY A 16 11.119 0.546 -8.850 1.00 0.00 O ATOM 0 H GLY A 16 11.839 2.057 -7.191 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.493 -0.728 -6.460 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.014 -0.107 -5.755 1.00 0.00 H new ATOM 231 N THR A 17 10.199 -1.258 -8.001 1.00 0.00 N ATOM 232 CA THR A 17 9.463 -1.535 -9.267 1.00 0.00 C ATOM 233 C THR A 17 8.130 -2.213 -8.944 1.00 0.00 C ATOM 234 O THR A 17 8.074 -3.167 -8.194 1.00 0.00 O ATOM 235 CB THR A 17 10.302 -2.457 -10.154 1.00 0.00 C ATOM 236 OG1 THR A 17 11.601 -1.904 -10.312 1.00 0.00 O ATOM 237 CG2 THR A 17 9.636 -2.599 -11.522 1.00 0.00 C ATOM 0 H THR A 17 10.041 -1.931 -7.251 1.00 0.00 H new ATOM 0 HA THR A 17 9.277 -0.598 -9.791 1.00 0.00 H new ATOM 0 HB THR A 17 10.378 -3.439 -9.688 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.141 -2.494 -10.879 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.235 -3.256 -12.152 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.640 -3.024 -11.399 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.557 -1.619 -11.992 1.00 0.00 H new ATOM 245 N VAL A 18 7.055 -1.727 -9.503 1.00 0.00 N ATOM 246 CA VAL A 18 5.728 -2.345 -9.228 1.00 0.00 C ATOM 247 C VAL A 18 5.849 -3.869 -9.303 1.00 0.00 C ATOM 248 O VAL A 18 6.817 -4.400 -9.807 1.00 0.00 O ATOM 249 CB VAL A 18 4.715 -1.862 -10.268 1.00 0.00 C ATOM 250 CG1 VAL A 18 3.334 -2.430 -9.938 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.655 -0.333 -10.247 1.00 0.00 C ATOM 0 H VAL A 18 7.039 -0.929 -10.138 1.00 0.00 H new ATOM 0 HA VAL A 18 5.392 -2.056 -8.232 1.00 0.00 H new ATOM 0 HB VAL A 18 5.020 -2.202 -11.258 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.612 -2.086 -10.679 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.376 -3.519 -9.951 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.028 -2.090 -8.948 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.934 0.013 -10.987 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.350 0.006 -9.257 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.639 0.073 -10.482 1.00 0.00 H new ATOM 261 N ALA A 19 4.872 -4.575 -8.803 1.00 0.00 N ATOM 262 CA ALA A 19 4.931 -6.063 -8.845 1.00 0.00 C ATOM 263 C ALA A 19 3.825 -6.593 -9.759 1.00 0.00 C ATOM 264 O ALA A 19 4.076 -7.046 -10.858 1.00 0.00 O ATOM 265 CB ALA A 19 4.740 -6.622 -7.435 1.00 0.00 C ATOM 0 H ALA A 19 4.036 -4.186 -8.367 1.00 0.00 H new ATOM 0 HA ALA A 19 5.901 -6.376 -9.231 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.783 -7.711 -7.466 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.530 -6.246 -6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.771 -6.308 -7.047 1.00 0.00 H new ATOM 271 N THR A 20 2.599 -6.538 -9.314 1.00 0.00 N ATOM 272 CA THR A 20 1.477 -7.038 -10.156 1.00 0.00 C ATOM 273 C THR A 20 0.161 -6.432 -9.666 1.00 0.00 C ATOM 274 O THR A 20 -0.130 -6.429 -8.486 1.00 0.00 O ATOM 275 CB THR A 20 1.404 -8.564 -10.057 1.00 0.00 C ATOM 276 OG1 THR A 20 2.557 -9.132 -10.663 1.00 0.00 O ATOM 277 CG2 THR A 20 0.148 -9.065 -10.773 1.00 0.00 C ATOM 0 H THR A 20 2.327 -6.168 -8.403 1.00 0.00 H new ATOM 0 HA THR A 20 1.646 -6.749 -11.193 1.00 0.00 H new ATOM 0 HB THR A 20 1.362 -8.859 -9.008 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.053 -8.434 -11.140 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.097 -10.151 -10.702 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.735 -8.629 -10.306 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.186 -8.772 -11.822 1.00 0.00 H new ATOM 285 N TRP A 21 -0.636 -5.917 -10.561 1.00 0.00 N ATOM 286 CA TRP A 21 -1.926 -5.311 -10.153 1.00 0.00 C ATOM 287 C TRP A 21 -3.020 -6.381 -10.165 1.00 0.00 C ATOM 288 O TRP A 21 -3.774 -6.500 -11.111 1.00 0.00 O ATOM 289 CB TRP A 21 -2.279 -4.206 -11.143 1.00 0.00 C ATOM 290 CG TRP A 21 -1.720 -2.906 -10.663 1.00 0.00 C ATOM 291 CD1 TRP A 21 -0.576 -2.336 -11.107 1.00 0.00 C ATOM 292 CD2 TRP A 21 -2.261 -2.005 -9.655 1.00 0.00 C ATOM 293 NE1 TRP A 21 -0.382 -1.143 -10.433 1.00 0.00 N ATOM 294 CE2 TRP A 21 -1.391 -0.898 -9.532 1.00 0.00 C ATOM 295 CE3 TRP A 21 -3.410 -2.041 -8.844 1.00 0.00 C ATOM 296 CZ2 TRP A 21 -1.646 0.136 -8.640 1.00 0.00 C ATOM 297 CZ3 TRP A 21 -3.674 -0.997 -7.940 1.00 0.00 C ATOM 298 CH2 TRP A 21 -2.791 0.090 -7.838 1.00 0.00 C ATOM 0 H TRP A 21 -0.444 -5.892 -11.563 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.844 -4.898 -9.148 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.878 -4.444 -12.128 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.361 -4.131 -11.249 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.078 -2.745 -11.863 1.00 0.00 H new ATOM 0 HE1 TRP A 21 0.412 -0.522 -10.586 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -4.093 -2.875 -8.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -0.964 0.970 -8.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.559 -1.031 -7.322 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -2.996 0.889 -7.141 1.00 0.00 H new ATOM 309 N HIS A 22 -3.110 -7.163 -9.123 1.00 0.00 N ATOM 310 CA HIS A 22 -4.161 -8.233 -9.080 1.00 0.00 C ATOM 311 C HIS A 22 -5.484 -7.668 -9.602 1.00 0.00 C ATOM 312 O HIS A 22 -6.022 -8.130 -10.588 1.00 0.00 O ATOM 313 CB HIS A 22 -4.364 -8.735 -7.643 1.00 0.00 C ATOM 314 CG HIS A 22 -3.065 -8.662 -6.898 1.00 0.00 C ATOM 315 ND1 HIS A 22 -2.624 -7.487 -6.319 1.00 0.00 N ATOM 316 CD2 HIS A 22 -2.078 -9.589 -6.673 1.00 0.00 C ATOM 317 CE1 HIS A 22 -1.417 -7.726 -5.788 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.035 -8.994 -5.971 1.00 0.00 N ATOM 0 H HIS A 22 -2.507 -7.112 -8.302 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.835 -9.065 -9.704 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.119 -8.131 -7.139 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.732 -9.761 -7.654 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.107 -10.621 -6.992 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.824 -6.984 -5.274 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.166 -9.431 -5.662 1.00 0.00 H new ATOM 326 N LYS A 23 -6.014 -6.672 -8.946 1.00 0.00 N ATOM 327 CA LYS A 23 -7.302 -6.079 -9.404 1.00 0.00 C ATOM 328 C LYS A 23 -7.022 -4.839 -10.253 1.00 0.00 C ATOM 329 O LYS A 23 -5.887 -4.493 -10.510 1.00 0.00 O ATOM 330 CB LYS A 23 -8.142 -5.686 -8.187 1.00 0.00 C ATOM 331 CG LYS A 23 -8.021 -6.766 -7.111 1.00 0.00 C ATOM 332 CD LYS A 23 -9.106 -6.556 -6.052 1.00 0.00 C ATOM 333 CE LYS A 23 -10.171 -7.647 -6.188 1.00 0.00 C ATOM 334 NZ LYS A 23 -10.575 -8.117 -4.833 1.00 0.00 N ATOM 0 H LYS A 23 -5.611 -6.243 -8.113 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.846 -6.810 -10.001 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.805 -4.727 -7.794 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.185 -5.562 -8.477 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.122 -7.754 -7.560 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.035 -6.725 -6.649 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.666 -6.585 -5.055 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.560 -5.573 -6.172 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.038 -7.260 -6.724 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.781 -8.480 -6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.299 -8.858 -4.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.746 -8.502 -4.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.963 -7.319 -4.290 1.00 0.00 H new ATOM 348 N LYS A 24 -8.051 -4.166 -10.692 1.00 0.00 N ATOM 349 CA LYS A 24 -7.847 -2.947 -11.525 1.00 0.00 C ATOM 350 C LYS A 24 -8.493 -1.743 -10.836 1.00 0.00 C ATOM 351 O LYS A 24 -9.249 -1.900 -9.896 1.00 0.00 O ATOM 352 CB LYS A 24 -8.490 -3.155 -12.898 1.00 0.00 C ATOM 353 CG LYS A 24 -7.402 -3.194 -13.972 1.00 0.00 C ATOM 354 CD LYS A 24 -7.051 -4.648 -14.292 1.00 0.00 C ATOM 355 CE LYS A 24 -5.747 -5.026 -13.588 1.00 0.00 C ATOM 356 NZ LYS A 24 -5.261 -6.335 -14.110 1.00 0.00 N ATOM 0 H LYS A 24 -9.025 -4.408 -10.509 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.779 -2.765 -11.647 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.058 -4.085 -12.908 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.193 -2.349 -13.107 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.747 -2.686 -14.872 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.515 -2.663 -13.626 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.856 -5.307 -13.967 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.946 -4.779 -15.369 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.995 -4.255 -13.754 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.907 -5.089 -12.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.374 -6.592 -13.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.977 -7.068 -13.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.093 -6.260 -15.133 1.00 0.00 H new ATOM 370 N PRO A 25 -8.177 -0.573 -11.328 1.00 0.00 N ATOM 371 CA PRO A 25 -8.711 0.689 -10.786 1.00 0.00 C ATOM 372 C PRO A 25 -10.155 0.901 -11.251 1.00 0.00 C ATOM 373 O PRO A 25 -10.405 1.491 -12.282 1.00 0.00 O ATOM 374 CB PRO A 25 -7.784 1.755 -11.378 1.00 0.00 C ATOM 375 CG PRO A 25 -7.148 1.126 -12.641 1.00 0.00 C ATOM 376 CD PRO A 25 -7.258 -0.401 -12.472 1.00 0.00 C ATOM 0 HA PRO A 25 -8.737 0.712 -9.697 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.341 2.657 -11.631 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.017 2.045 -10.660 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.667 1.455 -13.541 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.107 1.431 -12.744 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.650 -0.874 -13.372 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.285 -0.851 -12.273 1.00 0.00 H new ATOM 384 N GLY A 26 -11.106 0.423 -10.495 1.00 0.00 N ATOM 385 CA GLY A 26 -12.532 0.597 -10.893 1.00 0.00 C ATOM 386 C GLY A 26 -13.300 -0.698 -10.619 1.00 0.00 C ATOM 387 O GLY A 26 -14.071 -1.157 -11.438 1.00 0.00 O ATOM 0 H GLY A 26 -10.957 -0.080 -9.620 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.978 1.421 -10.337 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.597 0.854 -11.950 1.00 0.00 H new ATOM 391 N GLU A 27 -13.096 -1.289 -9.474 1.00 0.00 N ATOM 392 CA GLU A 27 -13.814 -2.554 -9.150 1.00 0.00 C ATOM 393 C GLU A 27 -14.259 -2.527 -7.687 1.00 0.00 C ATOM 394 O GLU A 27 -14.126 -1.530 -7.005 1.00 0.00 O ATOM 395 CB GLU A 27 -12.880 -3.744 -9.377 1.00 0.00 C ATOM 396 CG GLU A 27 -11.695 -3.656 -8.413 1.00 0.00 C ATOM 397 CD GLU A 27 -12.015 -4.440 -7.138 1.00 0.00 C ATOM 398 OE1 GLU A 27 -12.557 -5.527 -7.256 1.00 0.00 O ATOM 399 OE2 GLU A 27 -11.712 -3.940 -6.067 1.00 0.00 O ATOM 0 H GLU A 27 -12.463 -0.951 -8.749 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.688 -2.651 -9.794 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.420 -4.678 -9.222 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.524 -3.749 -10.407 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.798 -4.058 -8.885 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.487 -2.614 -8.169 1.00 0.00 H new ATOM 406 N ALA A 28 -14.788 -3.615 -7.198 1.00 0.00 N ATOM 407 CA ALA A 28 -15.241 -3.651 -5.779 1.00 0.00 C ATOM 408 C ALA A 28 -14.093 -4.133 -4.889 1.00 0.00 C ATOM 409 O ALA A 28 -13.484 -5.153 -5.143 1.00 0.00 O ATOM 410 CB ALA A 28 -16.426 -4.609 -5.645 1.00 0.00 C ATOM 0 H ALA A 28 -14.926 -4.480 -7.720 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.546 -2.651 -5.470 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.757 -4.635 -4.607 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.244 -4.266 -6.278 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.122 -5.609 -5.954 1.00 0.00 H new ATOM 416 N VAL A 29 -13.793 -3.408 -3.846 1.00 0.00 N ATOM 417 CA VAL A 29 -12.686 -3.825 -2.942 1.00 0.00 C ATOM 418 C VAL A 29 -13.194 -3.873 -1.500 1.00 0.00 C ATOM 419 O VAL A 29 -14.145 -3.205 -1.144 1.00 0.00 O ATOM 420 CB VAL A 29 -11.538 -2.819 -3.043 1.00 0.00 C ATOM 421 CG1 VAL A 29 -11.993 -1.466 -2.496 1.00 0.00 C ATOM 422 CG2 VAL A 29 -10.345 -3.324 -2.227 1.00 0.00 C ATOM 0 H VAL A 29 -14.267 -2.545 -3.582 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.331 -4.813 -3.236 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.245 -2.707 -4.087 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -11.174 -0.750 -2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -12.842 -1.106 -3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.287 -1.576 -1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.526 -2.608 -2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -10.639 -3.436 -1.183 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -10.019 -4.288 -2.618 1.00 0.00 H new ATOM 432 N LYS A 30 -12.569 -4.658 -0.665 1.00 0.00 N ATOM 433 CA LYS A 30 -13.017 -4.748 0.753 1.00 0.00 C ATOM 434 C LYS A 30 -11.801 -4.679 1.678 1.00 0.00 C ATOM 435 O LYS A 30 -10.805 -5.340 1.458 1.00 0.00 O ATOM 436 CB LYS A 30 -13.752 -6.071 0.973 1.00 0.00 C ATOM 437 CG LYS A 30 -15.024 -5.821 1.786 1.00 0.00 C ATOM 438 CD LYS A 30 -16.014 -5.010 0.948 1.00 0.00 C ATOM 439 CE LYS A 30 -16.941 -5.962 0.189 1.00 0.00 C ATOM 440 NZ LYS A 30 -16.528 -6.019 -1.242 1.00 0.00 N ATOM 0 H LYS A 30 -11.767 -5.241 -0.904 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.689 -3.919 0.975 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.004 -6.523 0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.106 -6.775 1.497 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.472 -6.770 2.081 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -14.782 -5.284 2.703 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.599 -4.353 1.592 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.476 -4.373 0.246 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.899 -6.957 0.631 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.973 -5.622 0.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.665 -6.984 -1.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.105 -5.355 -1.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.525 -5.758 -1.324 1.00 0.00 H new ATOM 454 N ARG A 31 -11.872 -3.883 2.710 1.00 0.00 N ATOM 455 CA ARG A 31 -10.723 -3.769 3.649 1.00 0.00 C ATOM 456 C ARG A 31 -10.150 -5.160 3.933 1.00 0.00 C ATOM 457 O ARG A 31 -10.873 -6.132 4.026 1.00 0.00 O ATOM 458 CB ARG A 31 -11.196 -3.136 4.959 1.00 0.00 C ATOM 459 CG ARG A 31 -9.988 -2.612 5.739 1.00 0.00 C ATOM 460 CD ARG A 31 -10.099 -3.045 7.203 1.00 0.00 C ATOM 461 NE ARG A 31 -10.816 -1.995 7.978 1.00 0.00 N ATOM 462 CZ ARG A 31 -12.107 -1.851 7.844 1.00 0.00 C ATOM 463 NH1 ARG A 31 -12.905 -2.846 8.121 1.00 0.00 N ATOM 464 NH2 ARG A 31 -12.598 -0.715 7.432 1.00 0.00 N ATOM 0 H ARG A 31 -12.680 -3.305 2.943 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.951 -3.145 3.200 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -11.890 -2.321 4.752 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.737 -3.871 5.556 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.066 -2.997 5.304 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.942 -1.525 5.673 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.633 -3.993 7.274 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.106 -3.207 7.622 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.299 -1.388 8.614 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.520 -3.734 8.442 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.914 -2.735 8.017 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.973 0.062 7.214 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.606 -0.603 7.328 1.00 0.00 H new ATOM 478 N ASP A 32 -8.856 -5.263 4.068 1.00 0.00 N ATOM 479 CA ASP A 32 -8.239 -6.590 4.346 1.00 0.00 C ATOM 480 C ASP A 32 -8.230 -7.426 3.065 1.00 0.00 C ATOM 481 O ASP A 32 -8.506 -8.609 3.082 1.00 0.00 O ATOM 482 CB ASP A 32 -9.051 -7.315 5.422 1.00 0.00 C ATOM 483 CG ASP A 32 -8.192 -8.408 6.060 1.00 0.00 C ATOM 484 OD1 ASP A 32 -7.307 -8.065 6.828 1.00 0.00 O ATOM 485 OD2 ASP A 32 -8.434 -9.568 5.771 1.00 0.00 O ATOM 0 H ASP A 32 -8.200 -4.485 3.998 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.216 -6.449 4.696 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.381 -6.607 6.182 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.948 -7.752 4.983 1.00 0.00 H new ATOM 490 N GLU A 33 -7.914 -6.821 1.953 1.00 0.00 N ATOM 491 CA GLU A 33 -7.888 -7.582 0.672 1.00 0.00 C ATOM 492 C GLU A 33 -6.715 -7.100 -0.184 1.00 0.00 C ATOM 493 O GLU A 33 -6.616 -5.935 -0.516 1.00 0.00 O ATOM 494 CB GLU A 33 -9.199 -7.355 -0.083 1.00 0.00 C ATOM 495 CG GLU A 33 -9.413 -8.489 -1.087 1.00 0.00 C ATOM 496 CD GLU A 33 -10.893 -8.878 -1.109 1.00 0.00 C ATOM 497 OE1 GLU A 33 -11.696 -8.105 -0.612 1.00 0.00 O ATOM 498 OE2 GLU A 33 -11.198 -9.942 -1.622 1.00 0.00 O ATOM 0 H GLU A 33 -7.673 -5.833 1.876 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.770 -8.645 0.883 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.032 -7.314 0.618 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.171 -6.397 -0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.094 -8.174 -2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.803 -9.351 -0.814 1.00 0.00 H new ATOM 505 N LEU A 34 -5.825 -7.986 -0.542 1.00 0.00 N ATOM 506 CA LEU A 34 -4.659 -7.582 -1.374 1.00 0.00 C ATOM 507 C LEU A 34 -5.122 -6.634 -2.483 1.00 0.00 C ATOM 508 O LEU A 34 -6.273 -6.638 -2.874 1.00 0.00 O ATOM 509 CB LEU A 34 -4.024 -8.826 -1.999 1.00 0.00 C ATOM 510 CG LEU A 34 -2.826 -8.412 -2.856 1.00 0.00 C ATOM 511 CD1 LEU A 34 -1.791 -7.704 -1.979 1.00 0.00 C ATOM 512 CD2 LEU A 34 -2.195 -9.657 -3.483 1.00 0.00 C ATOM 0 H LEU A 34 -5.857 -8.975 -0.293 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.926 -7.074 -0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.705 -9.516 -1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.757 -9.353 -2.610 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.159 -7.736 -3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.938 -7.409 -2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.240 -6.818 -1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.458 -8.380 -1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.341 -9.364 -4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.862 -10.332 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.931 -10.163 -4.107 1.00 0.00 H new ATOM 524 N ILE A 35 -4.237 -5.823 -2.992 1.00 0.00 N ATOM 525 CA ILE A 35 -4.630 -4.876 -4.074 1.00 0.00 C ATOM 526 C ILE A 35 -3.455 -4.683 -5.036 1.00 0.00 C ATOM 527 O ILE A 35 -3.630 -4.599 -6.235 1.00 0.00 O ATOM 528 CB ILE A 35 -5.013 -3.529 -3.459 1.00 0.00 C ATOM 529 CG1 ILE A 35 -5.964 -3.759 -2.283 1.00 0.00 C ATOM 530 CG2 ILE A 35 -5.706 -2.665 -4.514 1.00 0.00 C ATOM 531 CD1 ILE A 35 -7.304 -4.280 -2.805 1.00 0.00 C ATOM 0 H ILE A 35 -3.259 -5.775 -2.706 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.482 -5.281 -4.619 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.115 -3.021 -3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.530 -4.475 -1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.112 -2.829 -1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.979 -1.705 -4.076 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.029 -2.502 -5.353 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.604 -3.172 -4.866 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.982 -4.444 -1.967 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.739 -3.548 -3.486 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.148 -5.220 -3.335 1.00 0.00 H new ATOM 543 N VAL A 36 -2.258 -4.612 -4.519 1.00 0.00 N ATOM 544 CA VAL A 36 -1.076 -4.424 -5.407 1.00 0.00 C ATOM 545 C VAL A 36 0.189 -4.868 -4.669 1.00 0.00 C ATOM 546 O VAL A 36 0.338 -4.651 -3.484 1.00 0.00 O ATOM 547 CB VAL A 36 -0.954 -2.947 -5.785 1.00 0.00 C ATOM 548 CG1 VAL A 36 -0.549 -2.134 -4.555 1.00 0.00 C ATOM 549 CG2 VAL A 36 0.112 -2.788 -6.873 1.00 0.00 C ATOM 0 H VAL A 36 -2.048 -4.676 -3.523 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.199 -5.021 -6.310 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.914 -2.587 -6.157 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.463 -1.082 -4.827 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.306 -2.247 -3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.410 -2.492 -4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.201 -1.736 -7.144 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.070 -3.149 -6.499 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.175 -3.366 -7.751 1.00 0.00 H new ATOM 559 N ASP A 37 1.103 -5.490 -5.364 1.00 0.00 N ATOM 560 CA ASP A 37 2.358 -5.948 -4.702 1.00 0.00 C ATOM 561 C ASP A 37 3.510 -5.023 -5.098 1.00 0.00 C ATOM 562 O ASP A 37 3.559 -4.511 -6.199 1.00 0.00 O ATOM 563 CB ASP A 37 2.675 -7.377 -5.146 1.00 0.00 C ATOM 564 CG ASP A 37 1.962 -8.369 -4.225 1.00 0.00 C ATOM 565 OD1 ASP A 37 0.808 -8.130 -3.911 1.00 0.00 O ATOM 566 OD2 ASP A 37 2.582 -9.350 -3.850 1.00 0.00 O ATOM 0 H ASP A 37 1.035 -5.700 -6.360 1.00 0.00 H new ATOM 0 HA ASP A 37 2.229 -5.924 -3.620 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.355 -7.528 -6.177 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.751 -7.547 -5.118 1.00 0.00 H new ATOM 571 N ILE A 38 4.439 -4.803 -4.209 1.00 0.00 N ATOM 572 CA ILE A 38 5.587 -3.912 -4.535 1.00 0.00 C ATOM 573 C ILE A 38 6.849 -4.755 -4.730 1.00 0.00 C ATOM 574 O ILE A 38 7.068 -5.730 -4.039 1.00 0.00 O ATOM 575 CB ILE A 38 5.807 -2.923 -3.389 1.00 0.00 C ATOM 576 CG1 ILE A 38 4.539 -2.090 -3.185 1.00 0.00 C ATOM 577 CG2 ILE A 38 6.976 -1.997 -3.729 1.00 0.00 C ATOM 578 CD1 ILE A 38 4.767 -1.080 -2.059 1.00 0.00 C ATOM 0 H ILE A 38 4.452 -5.202 -3.270 1.00 0.00 H new ATOM 0 HA ILE A 38 5.371 -3.364 -5.452 1.00 0.00 H new ATOM 0 HB ILE A 38 6.034 -3.472 -2.475 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.281 -1.570 -4.107 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.699 -2.740 -2.940 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.132 -1.293 -2.912 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.879 -2.590 -3.875 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.751 -1.448 -4.643 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.864 -0.487 -1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.005 -1.611 -1.137 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.595 -0.422 -2.323 1.00 0.00 H new ATOM 590 N GLU A 39 7.682 -4.388 -5.665 1.00 0.00 N ATOM 591 CA GLU A 39 8.927 -5.169 -5.902 1.00 0.00 C ATOM 592 C GLU A 39 10.127 -4.397 -5.348 1.00 0.00 C ATOM 593 O GLU A 39 10.315 -3.232 -5.637 1.00 0.00 O ATOM 594 CB GLU A 39 9.113 -5.389 -7.405 1.00 0.00 C ATOM 595 CG GLU A 39 9.757 -6.756 -7.646 1.00 0.00 C ATOM 596 CD GLU A 39 9.192 -7.368 -8.928 1.00 0.00 C ATOM 597 OE1 GLU A 39 8.296 -6.771 -9.501 1.00 0.00 O ATOM 598 OE2 GLU A 39 9.665 -8.424 -9.316 1.00 0.00 O ATOM 0 H GLU A 39 7.553 -3.581 -6.275 1.00 0.00 H new ATOM 0 HA GLU A 39 8.852 -6.133 -5.400 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.150 -5.334 -7.913 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.739 -4.601 -7.824 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.839 -6.651 -7.727 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.563 -7.415 -6.800 1.00 0.00 H new ATOM 605 N THR A 40 10.941 -5.037 -4.555 1.00 0.00 N ATOM 606 CA THR A 40 12.126 -4.340 -3.983 1.00 0.00 C ATOM 607 C THR A 40 13.406 -4.992 -4.511 1.00 0.00 C ATOM 608 O THR A 40 13.368 -6.020 -5.157 1.00 0.00 O ATOM 609 CB THR A 40 12.093 -4.443 -2.456 1.00 0.00 C ATOM 610 OG1 THR A 40 10.758 -4.665 -2.027 1.00 0.00 O ATOM 611 CG2 THR A 40 12.621 -3.146 -1.842 1.00 0.00 C ATOM 0 H THR A 40 10.836 -6.013 -4.278 1.00 0.00 H new ATOM 0 HA THR A 40 12.105 -3.290 -4.276 1.00 0.00 H new ATOM 0 HB THR A 40 12.721 -5.274 -2.134 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.642 -5.610 -1.795 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.597 -3.222 -0.755 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.647 -2.979 -2.171 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.997 -2.312 -2.162 1.00 0.00 H new ATOM 619 N ASP A 41 14.539 -4.400 -4.243 1.00 0.00 N ATOM 620 CA ASP A 41 15.820 -4.981 -4.730 1.00 0.00 C ATOM 621 C ASP A 41 15.808 -6.498 -4.523 1.00 0.00 C ATOM 622 O ASP A 41 16.071 -7.259 -5.432 1.00 0.00 O ATOM 623 CB ASP A 41 16.985 -4.371 -3.948 1.00 0.00 C ATOM 624 CG ASP A 41 18.283 -5.089 -4.323 1.00 0.00 C ATOM 625 OD1 ASP A 41 18.493 -5.315 -5.503 1.00 0.00 O ATOM 626 OD2 ASP A 41 19.045 -5.401 -3.422 1.00 0.00 O ATOM 0 H ASP A 41 14.631 -3.537 -3.707 1.00 0.00 H new ATOM 0 HA ASP A 41 15.937 -4.761 -5.791 1.00 0.00 H new ATOM 0 HB2 ASP A 41 17.068 -3.307 -4.170 1.00 0.00 H new ATOM 0 HB3 ASP A 41 16.804 -4.460 -2.877 1.00 0.00 H new ATOM 631 N LYS A 42 15.503 -6.942 -3.335 1.00 0.00 N ATOM 632 CA LYS A 42 15.474 -8.408 -3.072 1.00 0.00 C ATOM 633 C LYS A 42 14.416 -8.714 -2.011 1.00 0.00 C ATOM 634 O LYS A 42 14.543 -9.650 -1.246 1.00 0.00 O ATOM 635 CB LYS A 42 16.846 -8.864 -2.572 1.00 0.00 C ATOM 636 CG LYS A 42 17.761 -9.138 -3.766 1.00 0.00 C ATOM 637 CD LYS A 42 18.149 -10.618 -3.784 1.00 0.00 C ATOM 638 CE LYS A 42 18.902 -10.933 -5.078 1.00 0.00 C ATOM 639 NZ LYS A 42 18.899 -12.405 -5.308 1.00 0.00 N ATOM 0 H LYS A 42 15.273 -6.353 -2.535 1.00 0.00 H new ATOM 0 HA LYS A 42 15.229 -8.938 -3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 42 17.285 -8.098 -1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 42 16.743 -9.764 -1.966 1.00 0.00 H new ATOM 0 HG2 LYS A 42 17.254 -8.873 -4.694 1.00 0.00 H new ATOM 0 HG3 LYS A 42 18.655 -8.518 -3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 42 18.773 -10.852 -2.922 1.00 0.00 H new ATOM 0 HD3 LYS A 42 17.257 -11.240 -3.709 1.00 0.00 H new ATOM 0 HE2 LYS A 42 18.432 -10.422 -5.918 1.00 0.00 H new ATOM 0 HE3 LYS A 42 19.926 -10.566 -5.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 19.411 -12.620 -6.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 19.366 -12.882 -4.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 17.918 -12.742 -5.387 1.00 0.00 H new ATOM 653 N VAL A 43 13.371 -7.935 -1.958 1.00 0.00 N ATOM 654 CA VAL A 43 12.307 -8.182 -0.945 1.00 0.00 C ATOM 655 C VAL A 43 10.934 -7.960 -1.584 1.00 0.00 C ATOM 656 O VAL A 43 10.712 -6.988 -2.280 1.00 0.00 O ATOM 657 CB VAL A 43 12.485 -7.218 0.228 1.00 0.00 C ATOM 658 CG1 VAL A 43 11.853 -7.820 1.485 1.00 0.00 C ATOM 659 CG2 VAL A 43 13.977 -6.983 0.471 1.00 0.00 C ATOM 0 H VAL A 43 13.208 -7.138 -2.573 1.00 0.00 H new ATOM 0 HA VAL A 43 12.379 -9.208 -0.585 1.00 0.00 H new ATOM 0 HB VAL A 43 11.999 -6.270 -0.004 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.980 -7.132 2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.790 -7.989 1.313 1.00 0.00 H new ATOM 0 HG13 VAL A 43 12.338 -8.768 1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.106 -6.296 1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.462 -7.931 0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.428 -6.554 -0.424 1.00 0.00 H new ATOM 669 N VAL A 44 10.010 -8.852 -1.352 1.00 0.00 N ATOM 670 CA VAL A 44 8.653 -8.690 -1.946 1.00 0.00 C ATOM 671 C VAL A 44 7.708 -8.091 -0.903 1.00 0.00 C ATOM 672 O VAL A 44 7.711 -8.479 0.248 1.00 0.00 O ATOM 673 CB VAL A 44 8.124 -10.055 -2.388 1.00 0.00 C ATOM 674 CG1 VAL A 44 8.052 -10.991 -1.181 1.00 0.00 C ATOM 675 CG2 VAL A 44 6.726 -9.889 -2.988 1.00 0.00 C ATOM 0 H VAL A 44 10.136 -9.685 -0.777 1.00 0.00 H new ATOM 0 HA VAL A 44 8.711 -8.026 -2.808 1.00 0.00 H new ATOM 0 HB VAL A 44 8.794 -10.479 -3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.675 -11.964 -1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.047 -11.109 -0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.382 -10.568 -0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.348 -10.861 -3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.057 -9.465 -2.239 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.776 -9.222 -3.849 1.00 0.00 H new ATOM 685 N MET A 45 6.897 -7.146 -1.295 1.00 0.00 N ATOM 686 CA MET A 45 5.953 -6.523 -0.325 1.00 0.00 C ATOM 687 C MET A 45 4.525 -6.626 -0.865 1.00 0.00 C ATOM 688 O MET A 45 4.309 -6.916 -2.025 1.00 0.00 O ATOM 689 CB MET A 45 6.321 -5.051 -0.130 1.00 0.00 C ATOM 690 CG MET A 45 7.472 -4.938 0.869 1.00 0.00 C ATOM 691 SD MET A 45 6.831 -4.378 2.467 1.00 0.00 S ATOM 692 CE MET A 45 8.178 -5.021 3.490 1.00 0.00 C ATOM 0 H MET A 45 6.848 -6.779 -2.245 1.00 0.00 H new ATOM 0 HA MET A 45 6.017 -7.043 0.631 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.609 -4.608 -1.084 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.456 -4.494 0.232 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.966 -5.903 0.981 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.221 -4.237 0.500 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.985 -4.784 4.536 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.242 -6.102 3.369 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.119 -4.565 3.182 1.00 0.00 H new ATOM 702 N GLU A 46 3.549 -6.392 -0.033 1.00 0.00 N ATOM 703 CA GLU A 46 2.136 -6.477 -0.499 1.00 0.00 C ATOM 704 C GLU A 46 1.388 -5.205 -0.096 1.00 0.00 C ATOM 705 O GLU A 46 1.818 -4.469 0.770 1.00 0.00 O ATOM 706 CB GLU A 46 1.460 -7.691 0.141 1.00 0.00 C ATOM 707 CG GLU A 46 1.521 -7.565 1.665 1.00 0.00 C ATOM 708 CD GLU A 46 0.686 -8.677 2.304 1.00 0.00 C ATOM 709 OE1 GLU A 46 -0.113 -9.271 1.597 1.00 0.00 O ATOM 710 OE2 GLU A 46 0.862 -8.917 3.486 1.00 0.00 O ATOM 0 H GLU A 46 3.668 -6.146 0.950 1.00 0.00 H new ATOM 0 HA GLU A 46 2.117 -6.581 -1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.423 -7.758 -0.188 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.956 -8.607 -0.179 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.555 -7.631 2.005 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.145 -6.590 1.975 1.00 0.00 H new ATOM 717 N VAL A 47 0.271 -4.940 -0.715 1.00 0.00 N ATOM 718 CA VAL A 47 -0.503 -3.716 -0.367 1.00 0.00 C ATOM 719 C VAL A 47 -2.000 -4.037 -0.380 1.00 0.00 C ATOM 720 O VAL A 47 -2.590 -4.245 -1.421 1.00 0.00 O ATOM 721 CB VAL A 47 -0.208 -2.617 -1.390 1.00 0.00 C ATOM 722 CG1 VAL A 47 -1.136 -1.427 -1.144 1.00 0.00 C ATOM 723 CG2 VAL A 47 1.247 -2.166 -1.247 1.00 0.00 C ATOM 0 H VAL A 47 -0.139 -5.519 -1.448 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.214 -3.374 0.627 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.373 -3.004 -2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.925 -0.645 -1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.173 -1.747 -1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.972 -1.040 -0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.458 -1.383 -1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.411 -1.780 -0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.910 -3.013 -1.423 1.00 0.00 H new ATOM 733 N LEU A 48 -2.616 -4.079 0.769 1.00 0.00 N ATOM 734 CA LEU A 48 -4.068 -4.385 0.825 1.00 0.00 C ATOM 735 C LEU A 48 -4.850 -3.092 1.064 1.00 0.00 C ATOM 736 O LEU A 48 -4.333 -2.131 1.598 1.00 0.00 O ATOM 737 CB LEU A 48 -4.349 -5.368 1.969 1.00 0.00 C ATOM 738 CG LEU A 48 -3.215 -5.348 2.999 1.00 0.00 C ATOM 739 CD1 LEU A 48 -3.172 -3.981 3.685 1.00 0.00 C ATOM 740 CD2 LEU A 48 -3.461 -6.436 4.046 1.00 0.00 C ATOM 0 H LEU A 48 -2.173 -3.914 1.673 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.378 -4.833 -0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.290 -5.109 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.464 -6.375 1.568 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.265 -5.532 2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.365 -3.967 4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.999 -3.205 2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.122 -3.796 4.187 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.655 -6.424 4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.411 -6.251 4.547 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.492 -7.410 3.558 1.00 0.00 H new ATOM 752 N ALA A 49 -6.095 -3.061 0.672 1.00 0.00 N ATOM 753 CA ALA A 49 -6.909 -1.830 0.878 1.00 0.00 C ATOM 754 C ALA A 49 -7.206 -1.657 2.369 1.00 0.00 C ATOM 755 O ALA A 49 -7.398 -2.617 3.088 1.00 0.00 O ATOM 756 CB ALA A 49 -8.225 -1.954 0.106 1.00 0.00 C ATOM 0 H ALA A 49 -6.583 -3.834 0.219 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.355 -0.964 0.516 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.821 -1.054 0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.014 -2.076 -0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.779 -2.820 0.468 1.00 0.00 H new ATOM 762 N GLU A 50 -7.247 -0.441 2.838 1.00 0.00 N ATOM 763 CA GLU A 50 -7.532 -0.209 4.282 1.00 0.00 C ATOM 764 C GLU A 50 -8.990 0.226 4.451 1.00 0.00 C ATOM 765 O GLU A 50 -9.398 0.664 5.508 1.00 0.00 O ATOM 766 CB GLU A 50 -6.607 0.888 4.815 1.00 0.00 C ATOM 767 CG GLU A 50 -5.701 0.309 5.902 1.00 0.00 C ATOM 768 CD GLU A 50 -5.186 1.440 6.795 1.00 0.00 C ATOM 769 OE1 GLU A 50 -5.925 2.389 6.999 1.00 0.00 O ATOM 770 OE2 GLU A 50 -4.063 1.338 7.258 1.00 0.00 O ATOM 0 H GLU A 50 -7.096 0.402 2.284 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.361 -1.130 4.839 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.004 1.296 4.004 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.197 1.711 5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.251 -0.418 6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.863 -0.220 5.448 1.00 0.00 H new ATOM 777 N ALA A 51 -9.777 0.108 3.417 1.00 0.00 N ATOM 778 CA ALA A 51 -11.207 0.516 3.520 1.00 0.00 C ATOM 779 C ALA A 51 -11.911 0.244 2.189 1.00 0.00 C ATOM 780 O ALA A 51 -11.374 0.494 1.129 1.00 0.00 O ATOM 781 CB ALA A 51 -11.290 2.009 3.846 1.00 0.00 C ATOM 0 H ALA A 51 -9.492 -0.253 2.506 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.692 -0.055 4.311 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.336 2.307 3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.788 2.203 4.794 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.805 2.582 3.055 1.00 0.00 H new ATOM 787 N ASP A 52 -13.110 -0.267 2.236 1.00 0.00 N ATOM 788 CA ASP A 52 -13.847 -0.555 0.973 1.00 0.00 C ATOM 789 C ASP A 52 -13.994 0.737 0.166 1.00 0.00 C ATOM 790 O ASP A 52 -13.693 1.817 0.636 1.00 0.00 O ATOM 791 CB ASP A 52 -15.228 -1.145 1.317 1.00 0.00 C ATOM 792 CG ASP A 52 -16.268 -0.782 0.250 1.00 0.00 C ATOM 793 OD1 ASP A 52 -16.330 -1.478 -0.750 1.00 0.00 O ATOM 794 OD2 ASP A 52 -16.982 0.186 0.452 1.00 0.00 O ATOM 0 H ASP A 52 -13.611 -0.498 3.094 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.296 -1.279 0.372 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.152 -2.229 1.401 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.554 -0.772 2.288 1.00 0.00 H new ATOM 799 N GLY A 53 -14.454 0.629 -1.046 1.00 0.00 N ATOM 800 CA GLY A 53 -14.625 1.841 -1.896 1.00 0.00 C ATOM 801 C GLY A 53 -14.333 1.488 -3.355 1.00 0.00 C ATOM 802 O GLY A 53 -14.326 0.334 -3.735 1.00 0.00 O ATOM 0 H GLY A 53 -14.721 -0.250 -1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.641 2.225 -1.800 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.953 2.631 -1.561 1.00 0.00 H new ATOM 806 N VAL A 54 -14.090 2.474 -4.175 1.00 0.00 N ATOM 807 CA VAL A 54 -13.798 2.193 -5.609 1.00 0.00 C ATOM 808 C VAL A 54 -12.511 2.913 -6.018 1.00 0.00 C ATOM 809 O VAL A 54 -12.382 4.111 -5.861 1.00 0.00 O ATOM 810 CB VAL A 54 -14.957 2.692 -6.473 1.00 0.00 C ATOM 811 CG1 VAL A 54 -14.544 2.675 -7.945 1.00 0.00 C ATOM 812 CG2 VAL A 54 -16.169 1.778 -6.275 1.00 0.00 C ATOM 0 H VAL A 54 -14.081 3.460 -3.914 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.675 1.119 -5.751 1.00 0.00 H new ATOM 0 HB VAL A 54 -15.214 3.710 -6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.371 3.031 -8.559 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.680 3.324 -8.088 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.286 1.658 -8.239 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.996 2.132 -6.890 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.909 0.761 -6.567 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -16.466 1.789 -5.226 1.00 0.00 H new ATOM 822 N ILE A 55 -11.558 2.192 -6.541 1.00 0.00 N ATOM 823 CA ILE A 55 -10.281 2.834 -6.959 1.00 0.00 C ATOM 824 C ILE A 55 -10.567 3.905 -8.013 1.00 0.00 C ATOM 825 O ILE A 55 -11.637 3.956 -8.586 1.00 0.00 O ATOM 826 CB ILE A 55 -9.346 1.777 -7.543 1.00 0.00 C ATOM 827 CG1 ILE A 55 -8.835 0.886 -6.405 1.00 0.00 C ATOM 828 CG2 ILE A 55 -8.168 2.467 -8.236 1.00 0.00 C ATOM 829 CD1 ILE A 55 -7.594 0.120 -6.865 1.00 0.00 C ATOM 0 H ILE A 55 -11.609 1.185 -6.697 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.808 3.297 -6.093 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.879 1.167 -8.273 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.595 1.495 -5.533 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.614 0.186 -6.101 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.500 1.714 -8.653 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.540 3.106 -9.037 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.624 3.073 -7.512 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.235 -0.512 -6.053 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.848 -0.502 -7.723 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.814 0.827 -7.147 1.00 0.00 H new ATOM 841 N ALA A 56 -9.618 4.763 -8.275 1.00 0.00 N ATOM 842 CA ALA A 56 -9.838 5.828 -9.292 1.00 0.00 C ATOM 843 C ALA A 56 -9.110 5.458 -10.585 1.00 0.00 C ATOM 844 O ALA A 56 -9.722 5.207 -11.604 1.00 0.00 O ATOM 845 CB ALA A 56 -9.294 7.157 -8.764 1.00 0.00 C ATOM 0 H ALA A 56 -8.701 4.771 -7.828 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.905 5.925 -9.491 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.455 7.937 -9.508 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.812 7.422 -7.843 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.227 7.060 -8.565 1.00 0.00 H new ATOM 851 N GLU A 57 -7.806 5.421 -10.553 1.00 0.00 N ATOM 852 CA GLU A 57 -7.039 5.065 -11.780 1.00 0.00 C ATOM 853 C GLU A 57 -5.579 4.796 -11.411 1.00 0.00 C ATOM 854 O GLU A 57 -4.996 5.490 -10.602 1.00 0.00 O ATOM 855 CB GLU A 57 -7.107 6.225 -12.778 1.00 0.00 C ATOM 856 CG GLU A 57 -7.096 5.672 -14.204 1.00 0.00 C ATOM 857 CD GLU A 57 -8.533 5.446 -14.676 1.00 0.00 C ATOM 858 OE1 GLU A 57 -9.271 4.780 -13.966 1.00 0.00 O ATOM 859 OE2 GLU A 57 -8.873 5.940 -15.738 1.00 0.00 O ATOM 0 H GLU A 57 -7.238 5.622 -9.730 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.470 4.171 -12.230 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.011 6.810 -12.611 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.261 6.896 -12.630 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.588 6.368 -14.871 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.540 4.735 -14.238 1.00 0.00 H new ATOM 866 N ILE A 58 -4.986 3.791 -11.995 1.00 0.00 N ATOM 867 CA ILE A 58 -3.564 3.479 -11.676 1.00 0.00 C ATOM 868 C ILE A 58 -2.651 4.143 -12.709 1.00 0.00 C ATOM 869 O ILE A 58 -2.758 3.899 -13.894 1.00 0.00 O ATOM 870 CB ILE A 58 -3.354 1.965 -11.709 1.00 0.00 C ATOM 871 CG1 ILE A 58 -4.274 1.300 -10.683 1.00 0.00 C ATOM 872 CG2 ILE A 58 -1.898 1.643 -11.369 1.00 0.00 C ATOM 873 CD1 ILE A 58 -4.160 2.030 -9.344 1.00 0.00 C ATOM 0 H ILE A 58 -5.424 3.173 -12.678 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.324 3.858 -10.682 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.586 1.589 -12.705 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.305 1.323 -11.035 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.002 0.251 -10.561 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.749 0.563 -11.393 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.241 2.116 -12.099 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.665 2.020 -10.373 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.816 1.556 -8.614 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.130 1.983 -8.991 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.453 3.072 -9.472 1.00 0.00 H new ATOM 885 N VAL A 59 -1.753 4.983 -12.270 1.00 0.00 N ATOM 886 CA VAL A 59 -0.835 5.661 -13.227 1.00 0.00 C ATOM 887 C VAL A 59 0.422 4.810 -13.416 1.00 0.00 C ATOM 888 O VAL A 59 1.059 4.850 -14.449 1.00 0.00 O ATOM 889 CB VAL A 59 -0.446 7.034 -12.674 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.486 7.736 -13.663 1.00 0.00 C ATOM 891 CG2 VAL A 59 -1.706 7.878 -12.475 1.00 0.00 C ATOM 0 H VAL A 59 -1.616 5.228 -11.289 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.336 5.786 -14.187 1.00 0.00 H new ATOM 0 HB VAL A 59 0.064 6.910 -11.719 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.764 8.714 -13.270 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.384 7.135 -13.807 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.024 7.860 -14.618 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.430 8.856 -12.081 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.215 8.002 -13.431 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.371 7.378 -11.771 1.00 0.00 H new ATOM 901 N LYS A 60 0.784 4.041 -12.426 1.00 0.00 N ATOM 902 CA LYS A 60 1.999 3.189 -12.550 1.00 0.00 C ATOM 903 C LYS A 60 1.606 1.818 -13.104 1.00 0.00 C ATOM 904 O LYS A 60 0.647 1.214 -12.668 1.00 0.00 O ATOM 905 CB LYS A 60 2.644 3.017 -11.173 1.00 0.00 C ATOM 906 CG LYS A 60 4.030 3.665 -11.173 1.00 0.00 C ATOM 907 CD LYS A 60 3.885 5.181 -11.025 1.00 0.00 C ATOM 908 CE LYS A 60 3.907 5.834 -12.408 1.00 0.00 C ATOM 909 NZ LYS A 60 4.801 7.025 -12.382 1.00 0.00 N ATOM 0 H LYS A 60 0.290 3.966 -11.537 1.00 0.00 H new ATOM 0 HA LYS A 60 2.709 3.665 -13.227 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.018 3.474 -10.407 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.726 1.958 -10.928 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.630 3.265 -10.356 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.554 3.428 -12.099 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.952 5.419 -10.514 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.695 5.576 -10.412 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.257 5.120 -13.153 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.899 6.129 -12.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.816 7.469 -13.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.448 7.709 -11.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.764 6.730 -12.123 1.00 0.00 H new ATOM 923 N ASN A 61 2.340 1.323 -14.063 1.00 0.00 N ATOM 924 CA ASN A 61 2.006 -0.008 -14.643 1.00 0.00 C ATOM 925 C ASN A 61 2.898 -1.079 -14.012 1.00 0.00 C ATOM 926 O ASN A 61 3.886 -0.779 -13.372 1.00 0.00 O ATOM 927 CB ASN A 61 2.239 0.022 -16.155 1.00 0.00 C ATOM 928 CG ASN A 61 1.634 1.300 -16.740 1.00 0.00 C ATOM 929 OD1 ASN A 61 2.349 2.177 -17.183 1.00 0.00 O ATOM 930 ND2 ASN A 61 0.337 1.443 -16.761 1.00 0.00 N ATOM 0 H ASN A 61 3.155 1.782 -14.469 1.00 0.00 H new ATOM 0 HA ASN A 61 0.961 -0.240 -14.440 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.307 -0.019 -16.370 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.786 -0.853 -16.621 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.076 2.291 -17.149 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.263 0.707 -16.389 1.00 0.00 H new ATOM 937 N GLU A 62 2.557 -2.327 -14.186 1.00 0.00 N ATOM 938 CA GLU A 62 3.386 -3.415 -13.596 1.00 0.00 C ATOM 939 C GLU A 62 4.734 -3.479 -14.317 1.00 0.00 C ATOM 940 O GLU A 62 4.815 -3.315 -15.518 1.00 0.00 O ATOM 941 CB GLU A 62 2.660 -4.752 -13.756 1.00 0.00 C ATOM 942 CG GLU A 62 1.225 -4.622 -13.240 1.00 0.00 C ATOM 943 CD GLU A 62 0.405 -5.827 -13.706 1.00 0.00 C ATOM 944 OE1 GLU A 62 0.719 -6.930 -13.292 1.00 0.00 O ATOM 945 OE2 GLU A 62 -0.524 -5.625 -14.471 1.00 0.00 O ATOM 0 H GLU A 62 1.740 -2.640 -14.711 1.00 0.00 H new ATOM 0 HA GLU A 62 3.549 -3.213 -12.537 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.655 -5.051 -14.804 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.186 -5.531 -13.205 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.222 -4.566 -12.151 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.777 -3.699 -13.608 1.00 0.00 H new ATOM 952 N GLY A 63 5.793 -3.718 -13.593 1.00 0.00 N ATOM 953 CA GLY A 63 7.135 -3.793 -14.238 1.00 0.00 C ATOM 954 C GLY A 63 7.674 -2.381 -14.468 1.00 0.00 C ATOM 955 O GLY A 63 8.614 -2.180 -15.210 1.00 0.00 O ATOM 0 H GLY A 63 5.787 -3.865 -12.584 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.822 -4.357 -13.607 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.064 -4.325 -15.187 1.00 0.00 H new ATOM 959 N ASP A 64 7.088 -1.401 -13.837 1.00 0.00 N ATOM 960 CA ASP A 64 7.570 -0.003 -14.023 1.00 0.00 C ATOM 961 C ASP A 64 8.420 0.403 -12.817 1.00 0.00 C ATOM 962 O ASP A 64 8.487 -0.294 -11.824 1.00 0.00 O ATOM 963 CB ASP A 64 6.358 0.934 -14.178 1.00 0.00 C ATOM 964 CG ASP A 64 6.669 2.337 -13.639 1.00 0.00 C ATOM 965 OD1 ASP A 64 7.157 3.150 -14.407 1.00 0.00 O ATOM 966 OD2 ASP A 64 6.413 2.571 -12.470 1.00 0.00 O ATOM 0 H ASP A 64 6.297 -1.507 -13.201 1.00 0.00 H new ATOM 0 HA ASP A 64 8.184 0.068 -14.921 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.078 0.999 -15.229 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.503 0.518 -13.645 1.00 0.00 H new ATOM 971 N THR A 65 9.069 1.529 -12.903 1.00 0.00 N ATOM 972 CA THR A 65 9.919 1.993 -11.771 1.00 0.00 C ATOM 973 C THR A 65 9.132 2.991 -10.920 1.00 0.00 C ATOM 974 O THR A 65 8.386 3.803 -11.429 1.00 0.00 O ATOM 975 CB THR A 65 11.176 2.670 -12.321 1.00 0.00 C ATOM 976 OG1 THR A 65 11.787 1.821 -13.282 1.00 0.00 O ATOM 977 CG2 THR A 65 12.155 2.938 -11.177 1.00 0.00 C ATOM 0 H THR A 65 9.048 2.151 -13.711 1.00 0.00 H new ATOM 0 HA THR A 65 10.206 1.139 -11.157 1.00 0.00 H new ATOM 0 HB THR A 65 10.904 3.615 -12.792 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.591 2.254 -13.637 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.050 3.420 -11.570 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.685 3.590 -10.441 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.429 1.995 -10.704 1.00 0.00 H new ATOM 985 N VAL A 66 9.292 2.937 -9.626 1.00 0.00 N ATOM 986 CA VAL A 66 8.552 3.883 -8.743 1.00 0.00 C ATOM 987 C VAL A 66 9.541 4.599 -7.820 1.00 0.00 C ATOM 988 O VAL A 66 10.464 4.003 -7.301 1.00 0.00 O ATOM 989 CB VAL A 66 7.538 3.108 -7.901 1.00 0.00 C ATOM 990 CG1 VAL A 66 6.288 2.827 -8.736 1.00 0.00 C ATOM 991 CG2 VAL A 66 8.157 1.782 -7.452 1.00 0.00 C ATOM 0 H VAL A 66 9.903 2.279 -9.142 1.00 0.00 H new ATOM 0 HA VAL A 66 8.029 4.618 -9.355 1.00 0.00 H new ATOM 0 HB VAL A 66 7.266 3.699 -7.027 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.566 2.274 -8.135 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.846 3.770 -9.058 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.560 2.236 -9.611 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.435 1.228 -6.852 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.429 1.192 -8.328 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.048 1.980 -6.857 1.00 0.00 H new ATOM 1001 N LEU A 67 9.355 5.874 -7.611 1.00 0.00 N ATOM 1002 CA LEU A 67 10.284 6.626 -6.722 1.00 0.00 C ATOM 1003 C LEU A 67 9.658 6.769 -5.334 1.00 0.00 C ATOM 1004 O LEU A 67 8.486 6.510 -5.141 1.00 0.00 O ATOM 1005 CB LEU A 67 10.541 8.015 -7.311 1.00 0.00 C ATOM 1006 CG LEU A 67 12.031 8.346 -7.207 1.00 0.00 C ATOM 1007 CD1 LEU A 67 12.731 7.964 -8.511 1.00 0.00 C ATOM 1008 CD2 LEU A 67 12.201 9.847 -6.958 1.00 0.00 C ATOM 0 H LEU A 67 8.600 6.427 -8.017 1.00 0.00 H new ATOM 0 HA LEU A 67 11.227 6.085 -6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.223 8.044 -8.353 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.954 8.762 -6.777 1.00 0.00 H new ATOM 0 HG LEU A 67 12.472 7.787 -6.382 1.00 0.00 H new ATOM 0 HD11 LEU A 67 13.793 8.200 -8.437 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.608 6.896 -8.690 1.00 0.00 H new ATOM 0 HD13 LEU A 67 12.292 8.523 -9.337 1.00 0.00 H new ATOM 0 HD21 LEU A 67 13.262 10.086 -6.883 1.00 0.00 H new ATOM 0 HD22 LEU A 67 11.761 10.405 -7.784 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.701 10.121 -6.029 1.00 0.00 H new ATOM 1020 N SER A 68 10.428 7.178 -4.364 1.00 0.00 N ATOM 1021 CA SER A 68 9.876 7.338 -2.990 1.00 0.00 C ATOM 1022 C SER A 68 8.692 8.307 -3.024 1.00 0.00 C ATOM 1023 O SER A 68 8.787 9.399 -3.550 1.00 0.00 O ATOM 1024 CB SER A 68 10.961 7.890 -2.065 1.00 0.00 C ATOM 1025 OG SER A 68 10.404 8.132 -0.779 1.00 0.00 O ATOM 0 H SER A 68 11.417 7.408 -4.464 1.00 0.00 H new ATOM 0 HA SER A 68 9.541 6.369 -2.619 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.786 7.181 -1.989 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.371 8.813 -2.476 1.00 0.00 H new ATOM 0 HG SER A 68 10.879 8.875 -0.351 1.00 0.00 H new ATOM 1031 N GLY A 69 7.579 7.918 -2.467 1.00 0.00 N ATOM 1032 CA GLY A 69 6.390 8.818 -2.470 1.00 0.00 C ATOM 1033 C GLY A 69 5.785 8.864 -3.873 1.00 0.00 C ATOM 1034 O GLY A 69 5.105 9.804 -4.236 1.00 0.00 O ATOM 0 H GLY A 69 7.440 7.017 -2.010 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.649 8.461 -1.755 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.679 9.820 -2.155 1.00 0.00 H new ATOM 1038 N GLU A 70 6.027 7.857 -4.667 1.00 0.00 N ATOM 1039 CA GLU A 70 5.465 7.843 -6.046 1.00 0.00 C ATOM 1040 C GLU A 70 3.995 7.421 -5.994 1.00 0.00 C ATOM 1041 O GLU A 70 3.667 6.334 -5.561 1.00 0.00 O ATOM 1042 CB GLU A 70 6.250 6.854 -6.908 1.00 0.00 C ATOM 1043 CG GLU A 70 5.636 6.794 -8.309 1.00 0.00 C ATOM 1044 CD GLU A 70 5.588 8.202 -8.905 1.00 0.00 C ATOM 1045 OE1 GLU A 70 6.581 8.614 -9.482 1.00 0.00 O ATOM 1046 OE2 GLU A 70 4.559 8.845 -8.775 1.00 0.00 O ATOM 0 H GLU A 70 6.590 7.043 -4.420 1.00 0.00 H new ATOM 0 HA GLU A 70 5.541 8.841 -6.479 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.294 7.160 -6.970 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.234 5.865 -6.450 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.225 6.137 -8.948 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.631 6.374 -8.260 1.00 0.00 H new ATOM 1053 N LEU A 71 3.108 8.271 -6.434 1.00 0.00 N ATOM 1054 CA LEU A 71 1.661 7.916 -6.410 1.00 0.00 C ATOM 1055 C LEU A 71 1.396 6.781 -7.401 1.00 0.00 C ATOM 1056 O LEU A 71 1.917 6.769 -8.498 1.00 0.00 O ATOM 1057 CB LEU A 71 0.829 9.140 -6.801 1.00 0.00 C ATOM 1058 CG LEU A 71 -0.658 8.793 -6.719 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -1.454 10.044 -6.342 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -1.137 8.277 -8.077 1.00 0.00 C ATOM 0 H LEU A 71 3.323 9.195 -6.809 1.00 0.00 H new ATOM 0 HA LEU A 71 1.383 7.593 -5.407 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.056 9.974 -6.137 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.084 9.458 -7.812 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.809 8.023 -5.962 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.514 9.797 -6.284 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.114 10.414 -5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.302 10.814 -7.099 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.197 8.030 -8.019 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.985 9.047 -8.833 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.571 7.386 -8.348 1.00 0.00 H new ATOM 1072 N LEU A 72 0.590 5.827 -7.023 1.00 0.00 N ATOM 1073 CA LEU A 72 0.294 4.694 -7.946 1.00 0.00 C ATOM 1074 C LEU A 72 -1.204 4.666 -8.253 1.00 0.00 C ATOM 1075 O LEU A 72 -1.629 4.163 -9.274 1.00 0.00 O ATOM 1076 CB LEU A 72 0.704 3.377 -7.283 1.00 0.00 C ATOM 1077 CG LEU A 72 2.082 3.536 -6.639 1.00 0.00 C ATOM 1078 CD1 LEU A 72 2.007 3.128 -5.166 1.00 0.00 C ATOM 1079 CD2 LEU A 72 3.089 2.642 -7.363 1.00 0.00 C ATOM 0 H LEU A 72 0.124 5.783 -6.117 1.00 0.00 H new ATOM 0 HA LEU A 72 0.853 4.824 -8.873 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.031 3.093 -6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.727 2.577 -8.023 1.00 0.00 H new ATOM 0 HG LEU A 72 2.399 4.576 -6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.989 3.241 -4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.289 3.764 -4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.690 2.088 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.071 2.755 -6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.771 1.602 -7.289 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.143 2.931 -8.413 1.00 0.00 H new ATOM 1091 N GLY A 73 -2.010 5.202 -7.377 1.00 0.00 N ATOM 1092 CA GLY A 73 -3.480 5.205 -7.620 1.00 0.00 C ATOM 1093 C GLY A 73 -4.182 5.961 -6.492 1.00 0.00 C ATOM 1094 O GLY A 73 -3.643 6.132 -5.416 1.00 0.00 O ATOM 0 H GLY A 73 -1.714 5.638 -6.504 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.700 5.675 -8.579 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.853 4.182 -7.673 1.00 0.00 H new ATOM 1098 N LYS A 74 -5.383 6.414 -6.726 1.00 0.00 N ATOM 1099 CA LYS A 74 -6.119 7.159 -5.666 1.00 0.00 C ATOM 1100 C LYS A 74 -7.444 6.453 -5.374 1.00 0.00 C ATOM 1101 O LYS A 74 -8.175 6.086 -6.273 1.00 0.00 O ATOM 1102 CB LYS A 74 -6.396 8.586 -6.143 1.00 0.00 C ATOM 1103 CG LYS A 74 -5.605 9.574 -5.283 1.00 0.00 C ATOM 1104 CD LYS A 74 -6.044 11.003 -5.612 1.00 0.00 C ATOM 1105 CE LYS A 74 -7.558 11.126 -5.439 1.00 0.00 C ATOM 1106 NZ LYS A 74 -7.944 12.565 -5.449 1.00 0.00 N ATOM 0 H LYS A 74 -5.887 6.300 -7.606 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.516 7.190 -4.759 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.114 8.692 -7.190 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.462 8.802 -6.077 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.770 9.366 -4.226 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.537 9.459 -5.467 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.534 11.711 -4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.763 11.254 -6.635 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.071 10.595 -6.241 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.867 10.662 -4.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.974 12.649 -5.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.465 13.058 -4.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.663 12.994 -6.354 1.00 0.00 H new ATOM 1120 N LEU A 75 -7.762 6.260 -4.123 1.00 0.00 N ATOM 1121 CA LEU A 75 -9.040 5.578 -3.776 1.00 0.00 C ATOM 1122 C LEU A 75 -10.140 6.623 -3.580 1.00 0.00 C ATOM 1123 O LEU A 75 -9.888 7.726 -3.135 1.00 0.00 O ATOM 1124 CB LEU A 75 -8.857 4.782 -2.481 1.00 0.00 C ATOM 1125 CG LEU A 75 -10.029 3.813 -2.308 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -9.530 2.376 -2.464 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.636 3.993 -0.915 1.00 0.00 C ATOM 0 H LEU A 75 -7.192 6.545 -3.327 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.322 4.902 -4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.917 4.231 -2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.803 5.460 -1.629 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.786 4.019 -3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.364 1.686 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.096 2.247 -3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.773 2.169 -1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.471 3.304 -0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.879 3.787 -0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.991 5.017 -0.803 1.00 0.00 H new ATOM 1139 N THR A 76 -11.357 6.287 -3.908 1.00 0.00 N ATOM 1140 CA THR A 76 -12.470 7.262 -3.741 1.00 0.00 C ATOM 1141 C THR A 76 -13.202 6.988 -2.432 1.00 0.00 C ATOM 1142 O THR A 76 -12.673 6.390 -1.515 1.00 0.00 O ATOM 1143 CB THR A 76 -13.449 7.136 -4.918 1.00 0.00 C ATOM 1144 OG1 THR A 76 -14.211 8.329 -5.032 1.00 0.00 O ATOM 1145 CG2 THR A 76 -14.387 5.944 -4.703 1.00 0.00 C ATOM 0 H THR A 76 -11.628 5.379 -4.285 1.00 0.00 H new ATOM 0 HA THR A 76 -12.062 8.273 -3.719 1.00 0.00 H new ATOM 0 HB THR A 76 -12.881 6.976 -5.835 1.00 0.00 H new ATOM 0 HG1 THR A 76 -14.834 8.249 -5.784 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.075 5.866 -5.544 1.00 0.00 H new ATOM 0 HG22 THR A 76 -13.800 5.028 -4.628 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.953 6.088 -3.783 1.00 0.00 H new