USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 825 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 ASN : amide:sc= -0.166 K(o=0.81,f=-1.8) USER MOD Set 1.2: A 22 THR OG1 : rot -18:sc= 0.976 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.101 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.0968 K(o=0.097,f=-1.4) USER MOD Single : A 17 GLN : amide:sc= 0.425 X(o=0.43,f=-0.032) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc=-0.00767 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -87:sc= 1.5 USER MOD Single : A 54 GLN : amide:sc= -0.384 X(o=-0.38,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.82) USER MOD Single : A 59 THR OG1 : rot 72:sc= 1.3 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 101:sc= 1.26 USER MOD Single : A 69 SER OG : rot 180:sc=-0.00595 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot -152:sc= 0 USER MOD Single : A 79 CYS SG : rot -62:sc= -0.0173 USER MOD Single : A 85 THR OG1 : rot 121:sc= 1.23 USER MOD Single : A 91 GLN : amide:sc= 0.383 K(o=0.38,f=-1.8!) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.323 8.801 11.476 1.00 0.00 N ATOM 2 CA GLY A 1 18.492 7.911 11.431 1.00 0.00 C ATOM 3 C GLY A 1 18.260 6.770 10.453 1.00 0.00 C ATOM 4 O GLY A 1 17.119 6.518 10.061 1.00 0.00 O ATOM 0 H1 GLY A 1 17.582 9.734 11.096 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.556 8.395 10.903 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.003 8.904 12.460 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.375 8.477 11.135 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.689 7.510 12.425 1.00 0.00 H new ATOM 8 N MET A 2 19.343 6.098 10.047 1.00 0.00 N ATOM 9 CA MET A 2 19.344 5.051 9.026 1.00 0.00 C ATOM 10 C MET A 2 18.642 3.783 9.538 1.00 0.00 C ATOM 11 O MET A 2 19.262 2.872 10.088 1.00 0.00 O ATOM 12 CB MET A 2 20.788 4.832 8.529 1.00 0.00 C ATOM 13 CG MET A 2 20.866 4.266 7.105 1.00 0.00 C ATOM 14 SD MET A 2 21.020 2.466 6.928 1.00 0.00 S ATOM 15 CE MET A 2 22.727 2.198 7.479 1.00 0.00 C ATOM 0 H MET A 2 20.270 6.275 10.433 1.00 0.00 H new ATOM 0 HA MET A 2 18.759 5.358 8.159 1.00 0.00 H new ATOM 0 HB2 MET A 2 21.324 5.781 8.564 1.00 0.00 H new ATOM 0 HB3 MET A 2 21.299 4.152 9.210 1.00 0.00 H new ATOM 0 HG2 MET A 2 19.972 4.582 6.568 1.00 0.00 H new ATOM 0 HG3 MET A 2 21.718 4.728 6.605 1.00 0.00 H new ATOM 0 HE1 MET A 2 22.964 1.136 7.425 1.00 0.00 H new ATOM 0 HE2 MET A 2 23.409 2.755 6.836 1.00 0.00 H new ATOM 0 HE3 MET A 2 22.836 2.542 8.508 1.00 0.00 H new ATOM 25 N SER A 3 17.316 3.772 9.404 1.00 0.00 N ATOM 26 CA SER A 3 16.408 2.739 9.883 1.00 0.00 C ATOM 27 C SER A 3 15.203 2.632 8.927 1.00 0.00 C ATOM 28 O SER A 3 14.056 2.536 9.375 1.00 0.00 O ATOM 29 CB SER A 3 15.984 3.088 11.322 1.00 0.00 C ATOM 30 OG SER A 3 17.083 3.233 12.208 1.00 0.00 O ATOM 0 H SER A 3 16.822 4.529 8.931 1.00 0.00 H new ATOM 0 HA SER A 3 16.895 1.764 9.899 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.410 4.015 11.310 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.322 2.308 11.698 1.00 0.00 H new ATOM 0 HG SER A 3 16.754 3.455 13.104 1.00 0.00 H new ATOM 36 N ALA A 4 15.468 2.703 7.614 1.00 0.00 N ATOM 37 CA ALA A 4 14.518 2.831 6.509 1.00 0.00 C ATOM 38 C ALA A 4 13.447 3.880 6.806 1.00 0.00 C ATOM 39 O ALA A 4 12.250 3.597 6.874 1.00 0.00 O ATOM 40 CB ALA A 4 13.975 1.468 6.066 1.00 0.00 C ATOM 0 H ALA A 4 16.429 2.669 7.275 1.00 0.00 H new ATOM 0 HA ALA A 4 15.052 3.213 5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 4 13.273 1.606 5.244 1.00 0.00 H new ATOM 0 HB2 ALA A 4 14.801 0.837 5.736 1.00 0.00 H new ATOM 0 HB3 ALA A 4 13.465 0.990 6.902 1.00 0.00 H new ATOM 46 N ASP A 5 13.919 5.113 6.969 1.00 0.00 N ATOM 47 CA ASP A 5 13.114 6.279 7.293 1.00 0.00 C ATOM 48 C ASP A 5 12.119 6.633 6.181 1.00 0.00 C ATOM 49 O ASP A 5 12.097 6.021 5.106 1.00 0.00 O ATOM 50 CB ASP A 5 14.041 7.456 7.639 1.00 0.00 C ATOM 51 CG ASP A 5 14.604 8.221 6.433 1.00 0.00 C ATOM 52 OD1 ASP A 5 15.106 7.605 5.472 1.00 0.00 O ATOM 53 OD2 ASP A 5 14.626 9.475 6.530 1.00 0.00 O ATOM 0 H ASP A 5 14.911 5.332 6.875 1.00 0.00 H new ATOM 0 HA ASP A 5 12.502 6.045 8.164 1.00 0.00 H new ATOM 0 HB2 ASP A 5 13.493 8.156 8.269 1.00 0.00 H new ATOM 0 HB3 ASP A 5 14.875 7.079 8.231 1.00 0.00 H new ATOM 58 N GLY A 6 11.241 7.594 6.470 1.00 0.00 N ATOM 59 CA GLY A 6 10.244 8.136 5.556 1.00 0.00 C ATOM 60 C GLY A 6 10.584 9.573 5.190 1.00 0.00 C ATOM 61 O GLY A 6 11.693 10.042 5.438 1.00 0.00 O ATOM 0 H GLY A 6 11.207 8.033 7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 6 10.199 7.526 4.654 1.00 0.00 H new ATOM 0 HA3 GLY A 6 9.258 8.096 6.018 1.00 0.00 H new ATOM 65 N SER A 7 9.630 10.300 4.620 1.00 0.00 N ATOM 66 CA SER A 7 9.745 11.742 4.449 1.00 0.00 C ATOM 67 C SER A 7 8.387 12.321 4.827 1.00 0.00 C ATOM 68 O SER A 7 8.162 12.680 5.978 1.00 0.00 O ATOM 69 CB SER A 7 10.227 12.105 3.030 1.00 0.00 C ATOM 70 OG SER A 7 11.347 11.318 2.644 1.00 0.00 O ATOM 0 H SER A 7 8.758 9.907 4.265 1.00 0.00 H new ATOM 0 HA SER A 7 10.509 12.177 5.094 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.414 11.957 2.319 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.493 13.161 2.994 1.00 0.00 H new ATOM 0 HG SER A 7 11.628 11.570 1.740 1.00 0.00 H new ATOM 76 N GLU A 8 7.440 12.289 3.894 1.00 0.00 N ATOM 77 CA GLU A 8 6.132 12.915 4.031 1.00 0.00 C ATOM 78 C GLU A 8 5.013 11.877 3.947 1.00 0.00 C ATOM 79 O GLU A 8 3.838 12.209 3.918 1.00 0.00 O ATOM 80 CB GLU A 8 6.029 13.988 2.946 1.00 0.00 C ATOM 81 CG GLU A 8 6.951 15.180 3.253 1.00 0.00 C ATOM 82 CD GLU A 8 7.856 15.507 2.069 1.00 0.00 C ATOM 83 OE1 GLU A 8 8.880 14.820 1.853 1.00 0.00 O ATOM 84 OE2 GLU A 8 7.522 16.460 1.326 1.00 0.00 O ATOM 0 H GLU A 8 7.566 11.815 3.000 1.00 0.00 H new ATOM 0 HA GLU A 8 6.019 13.380 5.011 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.295 13.559 1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.998 14.333 2.869 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.348 16.053 3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.561 14.953 4.127 1.00 0.00 H new ATOM 91 N TYR A 9 5.361 10.596 3.933 1.00 0.00 N ATOM 92 CA TYR A 9 4.413 9.510 3.764 1.00 0.00 C ATOM 93 C TYR A 9 3.397 9.523 4.899 1.00 0.00 C ATOM 94 O TYR A 9 2.199 9.480 4.645 1.00 0.00 O ATOM 95 CB TYR A 9 5.172 8.184 3.676 1.00 0.00 C ATOM 96 CG TYR A 9 6.243 8.102 2.594 1.00 0.00 C ATOM 97 CD1 TYR A 9 6.218 8.949 1.461 1.00 0.00 C ATOM 98 CD2 TYR A 9 7.261 7.133 2.714 1.00 0.00 C ATOM 99 CE1 TYR A 9 7.174 8.820 0.443 1.00 0.00 C ATOM 100 CE2 TYR A 9 8.199 6.983 1.675 1.00 0.00 C ATOM 101 CZ TYR A 9 8.157 7.821 0.540 1.00 0.00 C ATOM 102 OH TYR A 9 9.081 7.701 -0.450 1.00 0.00 O ATOM 0 H TYR A 9 6.325 10.281 4.041 1.00 0.00 H new ATOM 0 HA TYR A 9 3.856 9.637 2.836 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.642 7.991 4.641 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.450 7.385 3.507 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.452 9.706 1.379 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.320 6.512 3.595 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.155 9.484 -0.409 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.959 6.219 1.747 1.00 0.00 H new ATOM 0 HH TYR A 9 9.694 6.966 -0.238 1.00 0.00 H new ATOM 112 N GLY A 10 3.852 9.687 6.140 1.00 0.00 N ATOM 113 CA GLY A 10 2.983 9.791 7.297 1.00 0.00 C ATOM 114 C GLY A 10 2.210 11.108 7.364 1.00 0.00 C ATOM 115 O GLY A 10 1.540 11.382 8.360 1.00 0.00 O ATOM 0 H GLY A 10 4.845 9.751 6.366 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.274 8.963 7.284 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.582 9.684 8.202 1.00 0.00 H new ATOM 119 N ARG A 11 2.329 11.994 6.367 1.00 0.00 N ATOM 120 CA ARG A 11 1.408 13.109 6.228 1.00 0.00 C ATOM 121 C ARG A 11 0.100 12.635 5.589 1.00 0.00 C ATOM 122 O ARG A 11 -0.890 13.359 5.660 1.00 0.00 O ATOM 123 CB ARG A 11 2.011 14.243 5.394 1.00 0.00 C ATOM 124 CG ARG A 11 3.439 14.678 5.759 1.00 0.00 C ATOM 125 CD ARG A 11 3.593 16.141 6.174 1.00 0.00 C ATOM 126 NE ARG A 11 3.570 16.277 7.635 1.00 0.00 N ATOM 127 CZ ARG A 11 4.621 16.297 8.464 1.00 0.00 C ATOM 128 NH1 ARG A 11 5.875 16.265 8.015 1.00 0.00 N ATOM 129 NH2 ARG A 11 4.413 16.341 9.772 1.00 0.00 N ATOM 0 H ARG A 11 3.054 11.953 5.651 1.00 0.00 H new ATOM 0 HA ARG A 11 1.208 13.497 7.227 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.004 13.938 4.348 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.358 15.112 5.477 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.796 14.048 6.573 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.088 14.491 4.903 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.530 16.537 5.783 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.789 16.734 5.737 1.00 0.00 H new ATOM 0 HE ARG A 11 2.650 16.366 8.067 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.057 16.224 7.012 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.653 16.282 8.674 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.461 16.359 10.137 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.205 16.357 10.414 1.00 0.00 H new ATOM 143 N TYR A 12 0.093 11.470 4.931 1.00 0.00 N ATOM 144 CA TYR A 12 -1.029 10.976 4.148 1.00 0.00 C ATOM 145 C TYR A 12 -1.491 9.609 4.643 1.00 0.00 C ATOM 146 O TYR A 12 -2.690 9.357 4.752 1.00 0.00 O ATOM 147 CB TYR A 12 -0.619 10.860 2.670 1.00 0.00 C ATOM 148 CG TYR A 12 0.318 11.930 2.136 1.00 0.00 C ATOM 149 CD1 TYR A 12 0.053 13.299 2.324 1.00 0.00 C ATOM 150 CD2 TYR A 12 1.511 11.534 1.508 1.00 0.00 C ATOM 151 CE1 TYR A 12 0.986 14.265 1.899 1.00 0.00 C ATOM 152 CE2 TYR A 12 2.429 12.489 1.042 1.00 0.00 C ATOM 153 CZ TYR A 12 2.171 13.864 1.236 1.00 0.00 C ATOM 154 OH TYR A 12 3.071 14.789 0.797 1.00 0.00 O ATOM 0 H TYR A 12 0.891 10.834 4.933 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.851 11.683 4.258 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.146 9.889 2.523 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.525 10.868 2.064 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.868 13.610 2.795 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.724 10.483 1.382 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.797 15.313 2.079 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.330 12.173 0.537 1.00 0.00 H new ATOM 0 HH TYR A 12 3.824 14.334 0.366 1.00 0.00 H new ATOM 164 N PHE A 13 -0.533 8.711 4.870 1.00 0.00 N ATOM 165 CA PHE A 13 -0.725 7.395 5.458 1.00 0.00 C ATOM 166 C PHE A 13 -0.714 7.562 6.975 1.00 0.00 C ATOM 167 O PHE A 13 -0.091 8.491 7.484 1.00 0.00 O ATOM 168 CB PHE A 13 0.396 6.450 4.999 1.00 0.00 C ATOM 169 CG PHE A 13 0.393 6.189 3.501 1.00 0.00 C ATOM 170 CD1 PHE A 13 1.049 7.058 2.611 1.00 0.00 C ATOM 171 CD2 PHE A 13 -0.303 5.084 2.981 1.00 0.00 C ATOM 172 CE1 PHE A 13 0.984 6.836 1.228 1.00 0.00 C ATOM 173 CE2 PHE A 13 -0.402 4.887 1.596 1.00 0.00 C ATOM 174 CZ PHE A 13 0.246 5.766 0.714 1.00 0.00 C ATOM 0 H PHE A 13 0.443 8.895 4.636 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.673 6.960 5.141 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.358 6.875 5.284 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.299 5.501 5.526 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.606 7.900 2.995 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.767 4.379 3.655 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.509 7.497 0.554 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.977 4.059 1.208 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.175 5.617 -0.353 1.00 0.00 H new ATOM 184 N GLU A 14 -1.340 6.643 7.703 1.00 0.00 N ATOM 185 CA GLU A 14 -1.353 6.628 9.159 1.00 0.00 C ATOM 186 C GLU A 14 -1.320 5.163 9.594 1.00 0.00 C ATOM 187 O GLU A 14 -1.659 4.268 8.817 1.00 0.00 O ATOM 188 CB GLU A 14 -2.583 7.415 9.655 1.00 0.00 C ATOM 189 CG GLU A 14 -2.681 7.658 11.174 1.00 0.00 C ATOM 190 CD GLU A 14 -3.297 6.522 11.985 1.00 0.00 C ATOM 191 OE1 GLU A 14 -4.014 5.686 11.402 1.00 0.00 O ATOM 192 OE2 GLU A 14 -3.051 6.468 13.214 1.00 0.00 O ATOM 0 H GLU A 14 -1.863 5.872 7.287 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.488 7.121 9.603 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.593 8.383 9.154 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.479 6.882 9.337 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.680 7.853 11.558 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.268 8.561 11.342 1.00 0.00 H new ATOM 199 N GLN A 15 -0.884 4.918 10.825 1.00 0.00 N ATOM 200 CA GLN A 15 -0.577 3.602 11.389 1.00 0.00 C ATOM 201 C GLN A 15 -1.743 2.622 11.442 1.00 0.00 C ATOM 202 O GLN A 15 -1.529 1.437 11.670 1.00 0.00 O ATOM 203 CB GLN A 15 0.016 3.846 12.780 1.00 0.00 C ATOM 204 CG GLN A 15 0.738 2.612 13.319 1.00 0.00 C ATOM 205 CD GLN A 15 1.946 2.938 14.198 1.00 0.00 C ATOM 206 OE1 GLN A 15 2.928 3.517 13.730 1.00 0.00 O ATOM 207 NE2 GLN A 15 1.946 2.534 15.457 1.00 0.00 N ATOM 0 H GLN A 15 -0.726 5.671 11.495 1.00 0.00 H new ATOM 0 HA GLN A 15 0.127 3.105 10.721 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.713 4.683 12.735 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.780 4.130 13.469 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.033 2.013 13.895 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.066 1.999 12.480 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.130 2.055 15.839 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.762 2.701 16.046 1.00 0.00 H new ATOM 216 N LEU A 16 -2.957 3.104 11.280 1.00 0.00 N ATOM 217 CA LEU A 16 -4.191 2.354 11.426 1.00 0.00 C ATOM 218 C LEU A 16 -5.101 2.587 10.215 1.00 0.00 C ATOM 219 O LEU A 16 -6.214 2.053 10.170 1.00 0.00 O ATOM 220 CB LEU A 16 -4.888 2.742 12.741 1.00 0.00 C ATOM 221 CG LEU A 16 -4.176 2.236 14.005 1.00 0.00 C ATOM 222 CD1 LEU A 16 -2.876 2.913 14.363 1.00 0.00 C ATOM 223 CD2 LEU A 16 -5.133 2.366 15.199 1.00 0.00 C ATOM 0 H LEU A 16 -3.120 4.079 11.030 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.963 1.289 11.467 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.965 3.828 12.791 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.905 2.350 12.729 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.907 1.205 13.775 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.472 2.468 15.272 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.163 2.785 13.549 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.052 3.976 14.527 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.638 2.010 16.102 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.414 3.411 15.328 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.027 1.770 15.016 1.00 0.00 H new ATOM 235 N GLN A 17 -4.650 3.380 9.231 1.00 0.00 N ATOM 236 CA GLN A 17 -5.403 3.652 8.017 1.00 0.00 C ATOM 237 C GLN A 17 -5.269 2.451 7.100 1.00 0.00 C ATOM 238 O GLN A 17 -4.344 1.657 7.225 1.00 0.00 O ATOM 239 CB GLN A 17 -4.846 4.878 7.274 1.00 0.00 C ATOM 240 CG GLN A 17 -5.760 6.099 7.380 1.00 0.00 C ATOM 241 CD GLN A 17 -5.227 7.382 6.729 1.00 0.00 C ATOM 242 OE1 GLN A 17 -5.758 8.461 6.973 1.00 0.00 O ATOM 243 NE2 GLN A 17 -4.251 7.323 5.836 1.00 0.00 N ATOM 0 H GLN A 17 -3.745 3.849 9.265 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.441 3.847 8.288 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.865 5.128 7.678 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.703 4.627 6.223 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.720 5.853 6.925 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.949 6.299 8.435 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.804 6.430 5.627 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.946 8.170 5.357 1.00 0.00 H new ATOM 252 N LYS A 18 -6.110 2.378 6.075 1.00 0.00 N ATOM 253 CA LYS A 18 -6.063 1.302 5.113 1.00 0.00 C ATOM 254 C LYS A 18 -5.703 1.755 3.707 1.00 0.00 C ATOM 255 O LYS A 18 -5.890 2.917 3.352 1.00 0.00 O ATOM 256 CB LYS A 18 -7.322 0.490 5.282 1.00 0.00 C ATOM 257 CG LYS A 18 -8.618 1.046 4.735 1.00 0.00 C ATOM 258 CD LYS A 18 -9.551 1.631 5.812 1.00 0.00 C ATOM 259 CE LYS A 18 -11.026 1.636 5.381 1.00 0.00 C ATOM 260 NZ LYS A 18 -11.330 2.650 4.351 1.00 0.00 N ATOM 0 H LYS A 18 -6.841 3.066 5.894 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.225 0.632 5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.155 -0.481 4.816 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.461 0.312 6.348 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.389 1.823 4.006 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.145 0.254 4.203 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.447 1.052 6.730 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.240 2.650 6.041 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.289 0.650 4.999 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.652 1.817 6.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.339 2.602 4.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.108 3.597 4.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.757 2.466 3.503 1.00 0.00 H new ATOM 274 N VAL A 19 -5.163 0.832 2.919 1.00 0.00 N ATOM 275 CA VAL A 19 -4.502 1.050 1.636 1.00 0.00 C ATOM 276 C VAL A 19 -5.057 -0.015 0.676 1.00 0.00 C ATOM 277 O VAL A 19 -5.347 -1.141 1.102 1.00 0.00 O ATOM 278 CB VAL A 19 -2.977 0.974 1.838 1.00 0.00 C ATOM 279 CG1 VAL A 19 -2.519 2.135 2.733 1.00 0.00 C ATOM 280 CG2 VAL A 19 -2.465 -0.349 2.422 1.00 0.00 C ATOM 0 H VAL A 19 -5.176 -0.155 3.176 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.697 2.034 1.210 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.547 1.043 0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.440 2.081 2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.775 3.083 2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.017 2.067 3.700 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.381 -0.305 2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.918 -0.514 3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.732 -1.169 1.755 1.00 0.00 H new ATOM 290 N ASN A 20 -5.226 0.323 -0.606 1.00 0.00 N ATOM 291 CA ASN A 20 -5.331 -0.659 -1.678 1.00 0.00 C ATOM 292 C ASN A 20 -4.023 -1.445 -1.800 1.00 0.00 C ATOM 293 O ASN A 20 -3.007 -1.030 -1.242 1.00 0.00 O ATOM 294 CB ASN A 20 -5.632 0.052 -3.006 1.00 0.00 C ATOM 295 CG ASN A 20 -6.021 -0.956 -4.072 1.00 0.00 C ATOM 296 OD1 ASN A 20 -5.263 -1.265 -4.988 1.00 0.00 O ATOM 297 ND2 ASN A 20 -7.180 -1.557 -3.905 1.00 0.00 N ATOM 0 H ASN A 20 -5.293 1.289 -0.926 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.141 -1.350 -1.446 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.439 0.771 -2.866 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.757 0.614 -3.331 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.467 -2.298 -4.544 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.791 -1.282 -3.136 1.00 0.00 H new ATOM 304 N LEU A 21 -4.036 -2.554 -2.537 1.00 0.00 N ATOM 305 CA LEU A 21 -2.960 -3.530 -2.624 1.00 0.00 C ATOM 306 C LEU A 21 -2.848 -4.044 -4.065 1.00 0.00 C ATOM 307 O LEU A 21 -2.889 -5.253 -4.256 1.00 0.00 O ATOM 308 CB LEU A 21 -3.287 -4.723 -1.698 1.00 0.00 C ATOM 309 CG LEU A 21 -3.682 -4.456 -0.250 1.00 0.00 C ATOM 310 CD1 LEU A 21 -4.124 -5.790 0.358 1.00 0.00 C ATOM 311 CD2 LEU A 21 -2.527 -3.865 0.563 1.00 0.00 C ATOM 0 H LEU A 21 -4.837 -2.805 -3.116 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.022 -3.063 -2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.099 -5.284 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.415 -5.376 -1.685 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.488 -3.722 -0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.415 -5.638 1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.973 -6.182 -0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.299 -6.501 0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.855 -3.691 1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.689 -4.561 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.214 -2.921 0.117 1.00 0.00 H new ATOM 323 N THR A 22 -2.803 -3.198 -5.095 1.00 0.00 N ATOM 324 CA THR A 22 -2.733 -3.665 -6.486 1.00 0.00 C ATOM 325 C THR A 22 -1.473 -4.538 -6.660 1.00 0.00 C ATOM 326 O THR A 22 -0.385 -3.963 -6.687 1.00 0.00 O ATOM 327 CB THR A 22 -2.697 -2.466 -7.463 1.00 0.00 C ATOM 328 OG1 THR A 22 -3.475 -1.343 -7.059 1.00 0.00 O ATOM 329 CG2 THR A 22 -3.124 -2.868 -8.875 1.00 0.00 C ATOM 0 H THR A 22 -2.814 -2.183 -4.995 1.00 0.00 H new ATOM 0 HA THR A 22 -3.621 -4.255 -6.713 1.00 0.00 H new ATOM 0 HB THR A 22 -1.651 -2.158 -7.453 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.123 -1.622 -6.378 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.085 -1.997 -9.529 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.451 -3.637 -9.254 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.142 -3.257 -8.850 1.00 0.00 H new ATOM 337 N VAL A 23 -1.547 -5.879 -6.719 1.00 0.00 N ATOM 338 CA VAL A 23 -0.359 -6.703 -6.938 1.00 0.00 C ATOM 339 C VAL A 23 -0.306 -6.988 -8.435 1.00 0.00 C ATOM 340 O VAL A 23 -1.223 -7.614 -8.962 1.00 0.00 O ATOM 341 CB VAL A 23 -0.422 -7.996 -6.087 1.00 0.00 C ATOM 342 CG1 VAL A 23 0.751 -8.937 -6.399 1.00 0.00 C ATOM 343 CG2 VAL A 23 -0.415 -7.740 -4.567 1.00 0.00 C ATOM 0 H VAL A 23 -2.414 -6.407 -6.618 1.00 0.00 H new ATOM 0 HA VAL A 23 0.552 -6.193 -6.623 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.373 -8.452 -6.362 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.673 -9.833 -5.783 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.723 -9.217 -7.452 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.692 -8.430 -6.184 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.461 -8.692 -4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.499 -7.215 -4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.278 -7.132 -4.296 1.00 0.00 H new ATOM 353 N ARG A 24 0.757 -6.570 -9.135 1.00 0.00 N ATOM 354 CA ARG A 24 1.033 -7.079 -10.475 1.00 0.00 C ATOM 355 C ARG A 24 1.203 -8.588 -10.330 1.00 0.00 C ATOM 356 O ARG A 24 2.138 -9.012 -9.645 1.00 0.00 O ATOM 357 CB ARG A 24 2.324 -6.446 -11.025 1.00 0.00 C ATOM 358 CG ARG A 24 2.826 -7.113 -12.320 1.00 0.00 C ATOM 359 CD ARG A 24 4.294 -6.816 -12.643 1.00 0.00 C ATOM 360 NE ARG A 24 4.513 -5.492 -13.248 1.00 0.00 N ATOM 361 CZ ARG A 24 5.016 -5.254 -14.464 1.00 0.00 C ATOM 362 NH1 ARG A 24 5.072 -6.209 -15.377 1.00 0.00 N ATOM 363 NH2 ARG A 24 5.449 -4.040 -14.777 1.00 0.00 N ATOM 0 H ARG A 24 1.432 -5.886 -8.794 1.00 0.00 H new ATOM 0 HA ARG A 24 0.228 -6.836 -11.169 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.149 -5.387 -11.214 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.104 -6.510 -10.266 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.694 -8.192 -12.236 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.206 -6.780 -13.152 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.880 -6.888 -11.727 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.669 -7.582 -13.322 1.00 0.00 H new ATOM 0 HE ARG A 24 4.257 -4.680 -12.687 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.728 -7.144 -15.159 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.459 -6.010 -16.300 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.398 -3.288 -14.090 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.833 -3.859 -15.705 1.00 0.00 H new ATOM 377 N LEU A 25 0.360 -9.384 -10.983 1.00 0.00 N ATOM 378 CA LEU A 25 0.543 -10.823 -11.058 1.00 0.00 C ATOM 379 C LEU A 25 1.068 -11.126 -12.444 1.00 0.00 C ATOM 380 O LEU A 25 0.305 -11.342 -13.380 1.00 0.00 O ATOM 381 CB LEU A 25 -0.791 -11.514 -10.783 1.00 0.00 C ATOM 382 CG LEU A 25 -1.200 -11.602 -9.303 1.00 0.00 C ATOM 383 CD1 LEU A 25 -2.391 -12.553 -9.164 1.00 0.00 C ATOM 384 CD2 LEU A 25 -0.069 -12.077 -8.392 1.00 0.00 C ATOM 0 H LEU A 25 -0.468 -9.045 -11.474 1.00 0.00 H new ATOM 0 HA LEU A 25 1.251 -11.190 -10.315 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.573 -10.984 -11.327 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.748 -12.524 -11.190 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.463 -10.593 -8.986 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.684 -12.618 -8.116 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.228 -12.176 -9.752 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.110 -13.543 -9.525 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.424 -12.117 -7.362 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.256 -13.070 -8.703 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.769 -11.383 -8.460 1.00 0.00 H new ATOM 396 N GLY A 26 2.379 -11.083 -12.618 1.00 0.00 N ATOM 397 CA GLY A 26 2.967 -11.183 -13.944 1.00 0.00 C ATOM 398 C GLY A 26 2.626 -12.490 -14.660 1.00 0.00 C ATOM 399 O GLY A 26 2.530 -12.497 -15.891 1.00 0.00 O ATOM 0 H GLY A 26 3.054 -10.980 -11.861 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.624 -10.345 -14.550 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.050 -11.094 -13.861 1.00 0.00 H new ATOM 403 N ASP A 27 2.372 -13.561 -13.915 1.00 0.00 N ATOM 404 CA ASP A 27 2.017 -14.866 -14.452 1.00 0.00 C ATOM 405 C ASP A 27 0.513 -15.093 -14.512 1.00 0.00 C ATOM 406 O ASP A 27 0.085 -16.060 -15.141 1.00 0.00 O ATOM 407 CB ASP A 27 2.687 -15.960 -13.613 1.00 0.00 C ATOM 408 CG ASP A 27 4.154 -16.079 -13.983 1.00 0.00 C ATOM 409 OD1 ASP A 27 4.432 -16.750 -15.005 1.00 0.00 O ATOM 410 OD2 ASP A 27 5.014 -15.527 -13.267 1.00 0.00 O ATOM 0 H ASP A 27 2.409 -13.543 -12.896 1.00 0.00 H new ATOM 0 HA ASP A 27 2.377 -14.906 -15.480 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.590 -15.726 -12.553 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.185 -16.913 -13.777 1.00 0.00 H new ATOM 415 N THR A 28 -0.290 -14.231 -13.889 1.00 0.00 N ATOM 416 CA THR A 28 -1.691 -14.521 -13.604 1.00 0.00 C ATOM 417 C THR A 28 -2.600 -13.378 -14.067 1.00 0.00 C ATOM 418 O THR A 28 -3.591 -13.648 -14.749 1.00 0.00 O ATOM 419 CB THR A 28 -1.881 -14.844 -12.101 1.00 0.00 C ATOM 420 OG1 THR A 28 -0.651 -15.052 -11.411 1.00 0.00 O ATOM 421 CG2 THR A 28 -2.792 -16.048 -11.882 1.00 0.00 C ATOM 0 H THR A 28 0.015 -13.312 -13.568 1.00 0.00 H new ATOM 0 HA THR A 28 -1.984 -15.404 -14.171 1.00 0.00 H new ATOM 0 HB THR A 28 -2.355 -13.956 -11.682 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.834 -15.250 -10.469 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.896 -16.236 -10.813 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.773 -15.845 -12.311 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.359 -16.924 -12.365 1.00 0.00 H new ATOM 429 N GLY A 29 -2.277 -12.126 -13.730 1.00 0.00 N ATOM 430 CA GLY A 29 -3.100 -10.945 -13.958 1.00 0.00 C ATOM 431 C GLY A 29 -2.728 -9.759 -13.087 1.00 0.00 C ATOM 432 O GLY A 29 -1.615 -9.235 -13.189 1.00 0.00 O ATOM 0 H GLY A 29 -1.394 -11.903 -13.270 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.018 -10.654 -15.005 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.144 -11.202 -13.779 1.00 0.00 H new ATOM 436 N SER A 30 -3.620 -9.386 -12.176 1.00 0.00 N ATOM 437 CA SER A 30 -3.314 -8.582 -11.011 1.00 0.00 C ATOM 438 C SER A 30 -4.181 -9.103 -9.849 1.00 0.00 C ATOM 439 O SER A 30 -5.108 -9.893 -10.067 1.00 0.00 O ATOM 440 CB SER A 30 -3.511 -7.084 -11.314 1.00 0.00 C ATOM 441 OG SER A 30 -3.256 -6.732 -12.671 1.00 0.00 O ATOM 0 H SER A 30 -4.605 -9.646 -12.235 1.00 0.00 H new ATOM 0 HA SER A 30 -2.266 -8.673 -10.724 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.534 -6.804 -11.062 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.853 -6.503 -10.668 1.00 0.00 H new ATOM 0 HG SER A 30 -3.401 -5.770 -12.792 1.00 0.00 H new ATOM 447 N PHE A 31 -3.889 -8.716 -8.607 1.00 0.00 N ATOM 448 CA PHE A 31 -4.683 -9.075 -7.440 1.00 0.00 C ATOM 449 C PHE A 31 -4.729 -7.884 -6.517 1.00 0.00 C ATOM 450 O PHE A 31 -3.730 -7.531 -5.896 1.00 0.00 O ATOM 451 CB PHE A 31 -4.123 -10.288 -6.712 1.00 0.00 C ATOM 452 CG PHE A 31 -4.992 -10.723 -5.547 1.00 0.00 C ATOM 453 CD1 PHE A 31 -6.164 -11.475 -5.760 1.00 0.00 C ATOM 454 CD2 PHE A 31 -4.689 -10.253 -4.260 1.00 0.00 C ATOM 455 CE1 PHE A 31 -7.042 -11.723 -4.689 1.00 0.00 C ATOM 456 CE2 PHE A 31 -5.589 -10.455 -3.199 1.00 0.00 C ATOM 457 CZ PHE A 31 -6.767 -11.194 -3.415 1.00 0.00 C ATOM 0 H PHE A 31 -3.081 -8.135 -8.384 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.686 -9.347 -7.769 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.024 -11.115 -7.415 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.122 -10.058 -6.347 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.388 -11.860 -6.744 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.759 -9.733 -4.083 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.928 -12.320 -4.845 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.377 -10.045 -2.223 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.460 -11.355 -2.602 1.00 0.00 H new ATOM 467 N ASP A 32 -5.894 -7.268 -6.434 1.00 0.00 N ATOM 468 CA ASP A 32 -6.014 -5.870 -6.061 1.00 0.00 C ATOM 469 C ASP A 32 -6.970 -5.830 -4.881 1.00 0.00 C ATOM 470 O ASP A 32 -8.187 -5.906 -5.073 1.00 0.00 O ATOM 471 CB ASP A 32 -6.518 -5.034 -7.254 1.00 0.00 C ATOM 472 CG ASP A 32 -5.697 -5.122 -8.548 1.00 0.00 C ATOM 473 OD1 ASP A 32 -4.564 -5.640 -8.529 1.00 0.00 O ATOM 474 OD2 ASP A 32 -6.224 -4.634 -9.579 1.00 0.00 O ATOM 0 H ASP A 32 -6.786 -7.724 -6.624 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.054 -5.437 -5.782 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.540 -5.340 -7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.558 -3.989 -6.946 1.00 0.00 H new ATOM 479 N GLY A 33 -6.418 -5.823 -3.671 1.00 0.00 N ATOM 480 CA GLY A 33 -7.147 -6.030 -2.427 1.00 0.00 C ATOM 481 C GLY A 33 -7.093 -4.805 -1.517 1.00 0.00 C ATOM 482 O GLY A 33 -6.645 -3.731 -1.931 1.00 0.00 O ATOM 0 H GLY A 33 -5.420 -5.668 -3.527 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.187 -6.268 -2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.730 -6.889 -1.902 1.00 0.00 H new ATOM 486 N THR A 34 -7.501 -4.970 -0.258 1.00 0.00 N ATOM 487 CA THR A 34 -7.443 -3.925 0.763 1.00 0.00 C ATOM 488 C THR A 34 -6.793 -4.505 2.017 1.00 0.00 C ATOM 489 O THR A 34 -7.035 -5.672 2.338 1.00 0.00 O ATOM 490 CB THR A 34 -8.852 -3.360 1.072 1.00 0.00 C ATOM 491 OG1 THR A 34 -9.934 -4.145 0.590 1.00 0.00 O ATOM 492 CG2 THR A 34 -9.017 -1.957 0.488 1.00 0.00 C ATOM 0 H THR A 34 -7.888 -5.849 0.086 1.00 0.00 H new ATOM 0 HA THR A 34 -6.845 -3.091 0.395 1.00 0.00 H new ATOM 0 HB THR A 34 -8.899 -3.361 2.161 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.782 -3.716 0.830 1.00 0.00 H new ATOM 0 HG21 THR A 34 -10.014 -1.582 0.718 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.270 -1.292 0.922 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.884 -1.995 -0.593 1.00 0.00 H new ATOM 500 N ALA A 35 -6.020 -3.702 2.757 1.00 0.00 N ATOM 501 CA ALA A 35 -5.571 -4.057 4.096 1.00 0.00 C ATOM 502 C ALA A 35 -5.498 -2.804 4.947 1.00 0.00 C ATOM 503 O ALA A 35 -5.147 -1.739 4.430 1.00 0.00 O ATOM 504 CB ALA A 35 -4.187 -4.707 4.090 1.00 0.00 C ATOM 0 H ALA A 35 -5.692 -2.790 2.439 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.287 -4.773 4.498 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.896 -4.953 5.111 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.215 -5.617 3.491 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.462 -4.014 3.663 1.00 0.00 H new ATOM 510 N ALA A 36 -5.797 -2.934 6.240 1.00 0.00 N ATOM 511 CA ALA A 36 -5.471 -1.892 7.199 1.00 0.00 C ATOM 512 C ALA A 36 -3.981 -1.995 7.541 1.00 0.00 C ATOM 513 O ALA A 36 -3.407 -3.089 7.491 1.00 0.00 O ATOM 514 CB ALA A 36 -6.319 -2.062 8.459 1.00 0.00 C ATOM 0 H ALA A 36 -6.262 -3.749 6.641 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.683 -0.911 6.774 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.070 -1.278 9.174 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.375 -1.993 8.199 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.118 -3.036 8.904 1.00 0.00 H new ATOM 520 N ILE A 37 -3.372 -0.863 7.889 1.00 0.00 N ATOM 521 CA ILE A 37 -2.067 -0.753 8.518 1.00 0.00 C ATOM 522 C ILE A 37 -2.239 -1.100 10.002 1.00 0.00 C ATOM 523 O ILE A 37 -3.331 -1.026 10.565 1.00 0.00 O ATOM 524 CB ILE A 37 -1.482 0.668 8.259 1.00 0.00 C ATOM 525 CG1 ILE A 37 -1.339 0.907 6.734 1.00 0.00 C ATOM 526 CG2 ILE A 37 -0.083 0.873 8.874 1.00 0.00 C ATOM 527 CD1 ILE A 37 -0.899 2.308 6.294 1.00 0.00 C ATOM 0 H ILE A 37 -3.803 0.048 7.729 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.342 -1.450 8.097 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.178 1.365 8.726 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.621 0.186 6.343 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.298 0.688 6.264 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.266 1.883 8.657 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.136 0.732 9.954 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.612 0.150 8.447 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.837 2.345 5.206 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.625 3.043 6.641 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.078 2.533 6.721 1.00 0.00 H new ATOM 539 N THR A 38 -1.126 -1.477 10.621 1.00 0.00 N ATOM 540 CA THR A 38 -0.981 -1.735 12.042 1.00 0.00 C ATOM 541 C THR A 38 0.239 -1.027 12.642 1.00 0.00 C ATOM 542 O THR A 38 0.203 -0.641 13.812 1.00 0.00 O ATOM 543 CB THR A 38 -0.921 -3.259 12.263 1.00 0.00 C ATOM 544 OG1 THR A 38 -0.036 -3.917 11.363 1.00 0.00 O ATOM 545 CG2 THR A 38 -2.277 -3.919 12.045 1.00 0.00 C ATOM 0 H THR A 38 -0.253 -1.618 10.112 1.00 0.00 H new ATOM 0 HA THR A 38 -1.845 -1.324 12.564 1.00 0.00 H new ATOM 0 HB THR A 38 -0.577 -3.364 13.292 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.036 -4.879 11.549 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.190 -4.993 12.211 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.002 -3.501 12.744 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.611 -3.736 11.024 1.00 0.00 H new ATOM 553 N SER A 39 1.293 -0.841 11.839 1.00 0.00 N ATOM 554 CA SER A 39 2.559 -0.227 12.209 1.00 0.00 C ATOM 555 C SER A 39 3.052 0.537 10.972 1.00 0.00 C ATOM 556 O SER A 39 3.050 -0.041 9.882 1.00 0.00 O ATOM 557 CB SER A 39 3.544 -1.329 12.617 1.00 0.00 C ATOM 558 OG SER A 39 2.995 -2.179 13.612 1.00 0.00 O ATOM 0 H SER A 39 1.278 -1.133 10.862 1.00 0.00 H new ATOM 0 HA SER A 39 2.460 0.456 13.053 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.813 -1.920 11.741 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.463 -0.877 12.991 1.00 0.00 H new ATOM 0 HG SER A 39 3.648 -2.871 13.848 1.00 0.00 H new ATOM 564 N LEU A 40 3.450 1.806 11.101 1.00 0.00 N ATOM 565 CA LEU A 40 4.022 2.629 10.032 1.00 0.00 C ATOM 566 C LEU A 40 5.269 3.284 10.574 1.00 0.00 C ATOM 567 O LEU A 40 5.247 3.989 11.581 1.00 0.00 O ATOM 568 CB LEU A 40 3.013 3.687 9.537 1.00 0.00 C ATOM 569 CG LEU A 40 3.558 4.670 8.468 1.00 0.00 C ATOM 570 CD1 LEU A 40 3.471 4.077 7.060 1.00 0.00 C ATOM 571 CD2 LEU A 40 2.780 5.989 8.464 1.00 0.00 C ATOM 0 H LEU A 40 3.380 2.307 11.987 1.00 0.00 H new ATOM 0 HA LEU A 40 4.266 2.005 9.172 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.144 3.173 9.126 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.666 4.264 10.394 1.00 0.00 H new ATOM 0 HG LEU A 40 4.599 4.852 8.733 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.862 4.794 6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.058 3.160 7.015 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.431 3.854 6.823 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.191 6.652 7.702 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.731 5.792 8.246 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.864 6.464 9.441 1.00 0.00 H new ATOM 583 N LYS A 41 6.365 3.030 9.875 1.00 0.00 N ATOM 584 CA LYS A 41 7.703 3.396 10.238 1.00 0.00 C ATOM 585 C LYS A 41 8.358 3.874 8.948 1.00 0.00 C ATOM 586 O LYS A 41 9.006 3.108 8.239 1.00 0.00 O ATOM 587 CB LYS A 41 8.384 2.207 10.938 1.00 0.00 C ATOM 588 CG LYS A 41 8.164 0.792 10.358 1.00 0.00 C ATOM 589 CD LYS A 41 7.608 -0.229 11.360 1.00 0.00 C ATOM 590 CE LYS A 41 8.605 -0.525 12.486 1.00 0.00 C ATOM 591 NZ LYS A 41 8.282 -1.776 13.201 1.00 0.00 N ATOM 0 H LYS A 41 6.329 2.531 8.986 1.00 0.00 H new ATOM 0 HA LYS A 41 7.772 4.203 10.967 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.457 2.398 10.950 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.050 2.197 11.976 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.479 0.862 9.513 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.113 0.421 9.970 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.680 0.150 11.787 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.364 -1.154 10.838 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.610 -0.595 12.070 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.610 0.305 13.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.982 -1.936 13.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.333 -1.701 13.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.303 -2.573 12.533 1.00 0.00 H new ATOM 605 N GLY A 42 8.146 5.148 8.633 1.00 0.00 N ATOM 606 CA GLY A 42 8.775 5.809 7.513 1.00 0.00 C ATOM 607 C GLY A 42 8.309 5.263 6.173 1.00 0.00 C ATOM 608 O GLY A 42 7.125 5.338 5.858 1.00 0.00 O ATOM 0 H GLY A 42 7.520 5.754 9.163 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.561 6.877 7.560 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.856 5.697 7.590 1.00 0.00 H new ATOM 612 N SER A 43 9.235 4.772 5.350 1.00 0.00 N ATOM 613 CA SER A 43 8.917 4.137 4.070 1.00 0.00 C ATOM 614 C SER A 43 8.200 2.809 4.238 1.00 0.00 C ATOM 615 O SER A 43 7.612 2.333 3.273 1.00 0.00 O ATOM 616 CB SER A 43 10.169 4.100 3.183 1.00 0.00 C ATOM 617 OG SER A 43 11.384 3.725 3.822 1.00 0.00 O ATOM 0 H SER A 43 10.234 4.804 5.553 1.00 0.00 H new ATOM 0 HA SER A 43 8.184 4.744 3.538 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.986 3.407 2.362 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.305 5.087 2.742 1.00 0.00 H new ATOM 0 HG SER A 43 11.805 4.518 4.216 1.00 0.00 H new ATOM 623 N LEU A 44 8.169 2.261 5.447 1.00 0.00 N ATOM 624 CA LEU A 44 7.651 0.933 5.738 1.00 0.00 C ATOM 625 C LEU A 44 6.305 1.032 6.440 1.00 0.00 C ATOM 626 O LEU A 44 6.156 1.810 7.380 1.00 0.00 O ATOM 627 CB LEU A 44 8.647 0.182 6.627 1.00 0.00 C ATOM 628 CG LEU A 44 8.434 -1.347 6.627 1.00 0.00 C ATOM 629 CD1 LEU A 44 9.011 -1.996 5.361 1.00 0.00 C ATOM 630 CD2 LEU A 44 9.090 -1.988 7.850 1.00 0.00 C ATOM 0 H LEU A 44 8.515 2.745 6.276 1.00 0.00 H new ATOM 0 HA LEU A 44 7.516 0.391 4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.660 0.401 6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.563 0.553 7.648 1.00 0.00 H new ATOM 0 HG LEU A 44 7.358 -1.516 6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.843 -3.072 5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.519 -1.580 4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.081 -1.797 5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.926 -3.065 7.828 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.161 -1.783 7.838 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.651 -1.573 8.758 1.00 0.00 H new ATOM 642 N ALA A 45 5.361 0.172 6.074 1.00 0.00 N ATOM 643 CA ALA A 45 4.152 -0.100 6.835 1.00 0.00 C ATOM 644 C ALA A 45 4.046 -1.621 6.987 1.00 0.00 C ATOM 645 O ALA A 45 4.746 -2.355 6.287 1.00 0.00 O ATOM 646 CB ALA A 45 2.925 0.483 6.123 1.00 0.00 C ATOM 0 H ALA A 45 5.420 -0.371 5.212 1.00 0.00 H new ATOM 0 HA ALA A 45 4.194 0.371 7.817 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.030 0.270 6.707 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.043 1.562 6.020 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.829 0.033 5.135 1.00 0.00 H new ATOM 652 N TRP A 46 3.150 -2.086 7.854 1.00 0.00 N ATOM 653 CA TRP A 46 2.786 -3.486 8.071 1.00 0.00 C ATOM 654 C TRP A 46 1.273 -3.610 8.117 1.00 0.00 C ATOM 655 O TRP A 46 0.599 -2.767 8.717 1.00 0.00 O ATOM 656 CB TRP A 46 3.405 -4.017 9.366 1.00 0.00 C ATOM 657 CG TRP A 46 4.767 -4.606 9.158 1.00 0.00 C ATOM 658 CD1 TRP A 46 5.931 -3.919 9.135 1.00 0.00 C ATOM 659 CD2 TRP A 46 5.110 -5.984 8.817 1.00 0.00 C ATOM 660 NE1 TRP A 46 6.976 -4.794 8.898 1.00 0.00 N ATOM 661 CE2 TRP A 46 6.522 -6.072 8.645 1.00 0.00 C ATOM 662 CE3 TRP A 46 4.366 -7.162 8.598 1.00 0.00 C ATOM 663 CZ2 TRP A 46 7.162 -7.266 8.278 1.00 0.00 C ATOM 664 CZ3 TRP A 46 4.993 -8.359 8.212 1.00 0.00 C ATOM 665 CH2 TRP A 46 6.388 -8.416 8.050 1.00 0.00 C ATOM 0 H TRP A 46 2.626 -1.457 8.462 1.00 0.00 H new ATOM 0 HA TRP A 46 3.174 -4.084 7.247 1.00 0.00 H new ATOM 0 HB2 TRP A 46 3.472 -3.206 10.091 1.00 0.00 H new ATOM 0 HB3 TRP A 46 2.748 -4.774 9.794 1.00 0.00 H new ATOM 0 HD1 TRP A 46 6.030 -2.853 9.279 1.00 0.00 H new ATOM 0 HE1 TRP A 46 7.960 -4.527 8.909 1.00 0.00 H new ATOM 0 HE3 TRP A 46 3.294 -7.144 8.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 8.236 -7.300 8.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.398 -9.243 8.038 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.862 -9.339 7.752 1.00 0.00 H new ATOM 676 N LEU A 47 0.756 -4.659 7.482 1.00 0.00 N ATOM 677 CA LEU A 47 -0.624 -4.788 7.037 1.00 0.00 C ATOM 678 C LEU A 47 -1.238 -6.094 7.535 1.00 0.00 C ATOM 679 O LEU A 47 -0.508 -7.009 7.925 1.00 0.00 O ATOM 680 CB LEU A 47 -0.630 -4.786 5.499 1.00 0.00 C ATOM 681 CG LEU A 47 -0.158 -3.472 4.852 1.00 0.00 C ATOM 682 CD1 LEU A 47 0.002 -3.692 3.356 1.00 0.00 C ATOM 683 CD2 LEU A 47 -1.133 -2.314 5.067 1.00 0.00 C ATOM 0 H LEU A 47 1.317 -5.480 7.254 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.210 -3.960 7.435 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.007 -5.597 5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.641 -5.002 5.154 1.00 0.00 H new ATOM 0 HG LEU A 47 0.785 -3.201 5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.336 -2.767 2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.739 -4.476 3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.955 -3.991 2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.743 -1.416 4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.100 -2.567 4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.252 -2.132 6.135 1.00 0.00 H new ATOM 695 N GLU A 48 -2.569 -6.182 7.508 1.00 0.00 N ATOM 696 CA GLU A 48 -3.335 -7.321 8.046 1.00 0.00 C ATOM 697 C GLU A 48 -4.535 -7.779 7.205 1.00 0.00 C ATOM 698 O GLU A 48 -5.453 -8.405 7.741 1.00 0.00 O ATOM 699 CB GLU A 48 -3.759 -6.987 9.492 1.00 0.00 C ATOM 700 CG GLU A 48 -4.689 -5.765 9.560 1.00 0.00 C ATOM 701 CD GLU A 48 -5.568 -5.776 10.809 1.00 0.00 C ATOM 702 OE1 GLU A 48 -5.047 -5.570 11.931 1.00 0.00 O ATOM 703 OE2 GLU A 48 -6.798 -5.943 10.662 1.00 0.00 O ATOM 0 H GLU A 48 -3.160 -5.454 7.106 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.666 -8.181 8.016 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.263 -7.849 9.929 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.870 -6.798 10.094 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.090 -4.854 9.547 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.322 -5.743 8.673 1.00 0.00 H new ATOM 710 N LEU A 49 -4.543 -7.513 5.894 1.00 0.00 N ATOM 711 CA LEU A 49 -5.722 -7.673 5.031 1.00 0.00 C ATOM 712 C LEU A 49 -6.949 -6.925 5.588 1.00 0.00 C ATOM 713 O LEU A 49 -6.821 -6.071 6.471 1.00 0.00 O ATOM 714 CB LEU A 49 -5.984 -9.170 4.736 1.00 0.00 C ATOM 715 CG LEU A 49 -5.382 -9.691 3.419 1.00 0.00 C ATOM 716 CD1 LEU A 49 -5.922 -11.098 3.132 1.00 0.00 C ATOM 717 CD2 LEU A 49 -5.702 -8.832 2.188 1.00 0.00 C ATOM 0 H LEU A 49 -3.720 -7.176 5.394 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.515 -7.201 4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.584 -9.762 5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.061 -9.337 4.716 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.303 -9.670 3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.496 -11.468 2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.646 -11.767 3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.008 -11.060 3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.238 -9.273 1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.782 -8.787 2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.314 -7.824 2.336 1.00 0.00 H new ATOM 729 N PHE A 50 -8.122 -7.135 4.983 1.00 0.00 N ATOM 730 CA PHE A 50 -9.401 -6.595 5.446 1.00 0.00 C ATOM 731 C PHE A 50 -10.483 -7.666 5.617 1.00 0.00 C ATOM 732 O PHE A 50 -11.554 -7.367 6.148 1.00 0.00 O ATOM 733 CB PHE A 50 -9.900 -5.515 4.469 1.00 0.00 C ATOM 734 CG PHE A 50 -10.250 -4.221 5.154 1.00 0.00 C ATOM 735 CD1 PHE A 50 -11.514 -4.009 5.733 1.00 0.00 C ATOM 736 CD2 PHE A 50 -9.251 -3.248 5.266 1.00 0.00 C ATOM 737 CE1 PHE A 50 -11.774 -2.817 6.432 1.00 0.00 C ATOM 738 CE2 PHE A 50 -9.509 -2.081 5.995 1.00 0.00 C ATOM 739 CZ PHE A 50 -10.764 -1.859 6.581 1.00 0.00 C ATOM 0 H PHE A 50 -8.209 -7.699 4.138 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.217 -6.165 6.431 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.131 -5.327 3.720 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.776 -5.888 3.939 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.284 -4.761 5.641 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -8.290 -3.396 4.795 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -12.752 -2.641 6.854 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.731 -1.341 6.108 1.00 0.00 H new ATOM 0 HZ PHE A 50 -10.950 -0.956 7.143 1.00 0.00 H new ATOM 749 N GLY A 51 -10.281 -8.885 5.121 1.00 0.00 N ATOM 750 CA GLY A 51 -11.357 -9.851 4.945 1.00 0.00 C ATOM 751 C GLY A 51 -10.837 -11.150 4.341 1.00 0.00 C ATOM 752 O GLY A 51 -9.644 -11.272 4.037 1.00 0.00 O ATOM 0 H GLY A 51 -9.366 -9.228 4.830 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.826 -10.056 5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.127 -9.429 4.299 1.00 0.00 H new ATOM 756 N ALA A 52 -11.732 -12.114 4.143 1.00 0.00 N ATOM 757 CA ALA A 52 -11.413 -13.444 3.644 1.00 0.00 C ATOM 758 C ALA A 52 -11.039 -13.453 2.155 1.00 0.00 C ATOM 759 O ALA A 52 -10.633 -14.493 1.645 1.00 0.00 O ATOM 760 CB ALA A 52 -12.611 -14.367 3.891 1.00 0.00 C ATOM 0 H ALA A 52 -12.726 -11.986 4.331 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.535 -13.798 4.184 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.383 -15.366 3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.819 -14.415 4.960 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.484 -13.977 3.368 1.00 0.00 H new ATOM 766 N GLU A 53 -11.207 -12.351 1.423 1.00 0.00 N ATOM 767 CA GLU A 53 -10.750 -12.222 0.041 1.00 0.00 C ATOM 768 C GLU A 53 -9.232 -12.054 0.053 1.00 0.00 C ATOM 769 O GLU A 53 -8.718 -10.955 0.282 1.00 0.00 O ATOM 770 CB GLU A 53 -11.497 -11.075 -0.655 1.00 0.00 C ATOM 771 CG GLU A 53 -12.779 -11.660 -1.266 1.00 0.00 C ATOM 772 CD GLU A 53 -13.737 -10.648 -1.895 1.00 0.00 C ATOM 773 OE1 GLU A 53 -13.429 -9.436 -1.974 1.00 0.00 O ATOM 774 OE2 GLU A 53 -14.825 -11.085 -2.335 1.00 0.00 O ATOM 0 H GLU A 53 -11.670 -11.514 1.778 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.976 -13.116 -0.541 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -11.738 -10.286 0.058 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -10.874 -10.626 -1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -12.497 -12.387 -2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -13.314 -12.204 -0.488 1.00 0.00 H new ATOM 781 N GLN A 54 -8.525 -13.171 -0.111 1.00 0.00 N ATOM 782 CA GLN A 54 -7.083 -13.319 0.014 1.00 0.00 C ATOM 783 C GLN A 54 -6.563 -14.028 -1.255 1.00 0.00 C ATOM 784 O GLN A 54 -7.338 -14.744 -1.899 1.00 0.00 O ATOM 785 CB GLN A 54 -6.778 -14.100 1.312 1.00 0.00 C ATOM 786 CG GLN A 54 -7.331 -15.540 1.335 1.00 0.00 C ATOM 787 CD GLN A 54 -7.047 -16.315 2.625 1.00 0.00 C ATOM 788 OE1 GLN A 54 -6.990 -17.543 2.617 1.00 0.00 O ATOM 789 NE2 GLN A 54 -6.893 -15.659 3.762 1.00 0.00 N ATOM 0 H GLN A 54 -8.978 -14.053 -0.351 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.574 -12.358 0.090 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.698 -14.136 1.454 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.193 -13.551 2.158 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.409 -15.503 1.180 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.907 -16.091 0.496 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.940 -14.640 3.773 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.728 -16.172 4.628 1.00 0.00 H new ATOM 798 N PRO A 55 -5.288 -13.844 -1.633 1.00 0.00 N ATOM 799 CA PRO A 55 -4.746 -14.331 -2.900 1.00 0.00 C ATOM 800 C PRO A 55 -4.575 -15.862 -2.930 1.00 0.00 C ATOM 801 O PRO A 55 -4.691 -16.528 -1.893 1.00 0.00 O ATOM 802 CB PRO A 55 -3.402 -13.610 -3.063 1.00 0.00 C ATOM 803 CG PRO A 55 -2.987 -13.256 -1.646 1.00 0.00 C ATOM 804 CD PRO A 55 -4.311 -13.032 -0.932 1.00 0.00 C ATOM 0 HA PRO A 55 -5.430 -14.120 -3.722 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.663 -14.251 -3.545 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.502 -12.718 -3.682 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.413 -14.059 -1.184 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.362 -12.363 -1.622 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.243 -13.323 0.116 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.592 -11.979 -0.953 1.00 0.00 H new ATOM 812 N PRO A 56 -4.258 -16.427 -4.111 1.00 0.00 N ATOM 813 CA PRO A 56 -3.813 -17.811 -4.214 1.00 0.00 C ATOM 814 C PRO A 56 -2.487 -18.028 -3.453 1.00 0.00 C ATOM 815 O PRO A 56 -1.700 -17.086 -3.307 1.00 0.00 O ATOM 816 CB PRO A 56 -3.669 -18.098 -5.717 1.00 0.00 C ATOM 817 CG PRO A 56 -3.754 -16.756 -6.434 1.00 0.00 C ATOM 818 CD PRO A 56 -4.259 -15.755 -5.405 1.00 0.00 C ATOM 0 HA PRO A 56 -4.526 -18.497 -3.757 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.719 -18.589 -5.927 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.457 -18.769 -6.059 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.779 -16.459 -6.820 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.431 -16.813 -7.287 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.619 -14.873 -5.381 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.262 -15.414 -5.660 1.00 0.00 H new ATOM 826 N PRO A 57 -2.181 -19.272 -3.032 1.00 0.00 N ATOM 827 CA PRO A 57 -0.900 -19.618 -2.413 1.00 0.00 C ATOM 828 C PRO A 57 0.226 -19.476 -3.439 1.00 0.00 C ATOM 829 O PRO A 57 -0.049 -19.303 -4.624 1.00 0.00 O ATOM 830 CB PRO A 57 -1.057 -21.078 -1.978 1.00 0.00 C ATOM 831 CG PRO A 57 -1.975 -21.642 -3.059 1.00 0.00 C ATOM 832 CD PRO A 57 -2.948 -20.486 -3.292 1.00 0.00 C ATOM 0 HA PRO A 57 -0.649 -18.970 -1.573 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.100 -21.598 -1.946 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.499 -21.161 -0.985 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.426 -21.901 -3.965 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.488 -22.545 -2.727 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.333 -20.496 -4.312 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.808 -20.557 -2.626 1.00 0.00 H new ATOM 840 N ASN A 58 1.492 -19.571 -3.016 1.00 0.00 N ATOM 841 CA ASN A 58 2.702 -19.452 -3.853 1.00 0.00 C ATOM 842 C ASN A 58 2.815 -18.179 -4.707 1.00 0.00 C ATOM 843 O ASN A 58 3.799 -18.018 -5.433 1.00 0.00 O ATOM 844 CB ASN A 58 2.967 -20.726 -4.680 1.00 0.00 C ATOM 845 CG ASN A 58 2.100 -20.846 -5.933 1.00 0.00 C ATOM 846 OD1 ASN A 58 2.241 -20.097 -6.897 1.00 0.00 O ATOM 847 ND2 ASN A 58 1.180 -21.796 -5.948 1.00 0.00 N ATOM 0 H ASN A 58 1.716 -19.741 -2.036 1.00 0.00 H new ATOM 0 HA ASN A 58 3.502 -19.342 -3.121 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.016 -20.744 -4.974 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.798 -21.598 -4.049 1.00 0.00 H new ATOM 0 HD21 ASN A 58 0.580 -21.912 -6.765 1.00 0.00 H new ATOM 0 HD22 ASN A 58 1.071 -22.413 -5.143 1.00 0.00 H new ATOM 854 N THR A 59 1.850 -17.266 -4.624 1.00 0.00 N ATOM 855 CA THR A 59 1.665 -16.214 -5.604 1.00 0.00 C ATOM 856 C THR A 59 2.239 -14.893 -5.084 1.00 0.00 C ATOM 857 O THR A 59 3.003 -14.250 -5.805 1.00 0.00 O ATOM 858 CB THR A 59 0.174 -16.159 -5.972 1.00 0.00 C ATOM 859 OG1 THR A 59 -0.279 -17.425 -6.402 1.00 0.00 O ATOM 860 CG2 THR A 59 -0.081 -15.223 -7.142 1.00 0.00 C ATOM 0 H THR A 59 1.170 -17.241 -3.864 1.00 0.00 H new ATOM 0 HA THR A 59 2.218 -16.418 -6.521 1.00 0.00 H new ATOM 0 HB THR A 59 -0.343 -15.819 -5.075 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.339 -18.029 -5.633 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.146 -15.211 -7.373 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.245 -14.216 -6.880 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.475 -15.570 -8.013 1.00 0.00 H new ATOM 868 N LEU A 60 1.928 -14.492 -3.843 1.00 0.00 N ATOM 869 CA LEU A 60 2.578 -13.338 -3.228 1.00 0.00 C ATOM 870 C LEU A 60 4.056 -13.662 -3.067 1.00 0.00 C ATOM 871 O LEU A 60 4.406 -14.806 -2.770 1.00 0.00 O ATOM 872 CB LEU A 60 1.949 -12.992 -1.866 1.00 0.00 C ATOM 873 CG LEU A 60 0.731 -12.056 -1.982 1.00 0.00 C ATOM 874 CD1 LEU A 60 0.077 -11.896 -0.608 1.00 0.00 C ATOM 875 CD2 LEU A 60 1.099 -10.652 -2.491 1.00 0.00 C ATOM 0 H LEU A 60 1.234 -14.950 -3.253 1.00 0.00 H new ATOM 0 HA LEU A 60 2.446 -12.465 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.646 -13.913 -1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.702 -12.521 -1.234 1.00 0.00 H new ATOM 0 HG LEU A 60 0.055 -12.516 -2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.785 -11.234 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.248 -12.871 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.797 -11.469 0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.199 -10.039 -2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.807 -10.190 -1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.551 -10.730 -3.480 1.00 0.00 H new ATOM 887 N SER A 61 4.922 -12.665 -3.228 1.00 0.00 N ATOM 888 CA SER A 61 6.328 -12.766 -2.887 1.00 0.00 C ATOM 889 C SER A 61 6.821 -11.461 -2.276 1.00 0.00 C ATOM 890 O SER A 61 6.202 -10.411 -2.444 1.00 0.00 O ATOM 891 CB SER A 61 7.153 -13.078 -4.125 1.00 0.00 C ATOM 892 OG SER A 61 6.732 -14.267 -4.775 1.00 0.00 O ATOM 0 H SER A 61 4.658 -11.754 -3.604 1.00 0.00 H new ATOM 0 HA SER A 61 6.443 -13.572 -2.162 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.085 -12.243 -4.823 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.202 -13.174 -3.844 1.00 0.00 H new ATOM 0 HG SER A 61 7.291 -14.424 -5.565 1.00 0.00 H new ATOM 898 N GLU A 62 7.976 -11.519 -1.617 1.00 0.00 N ATOM 899 CA GLU A 62 8.493 -10.465 -0.744 1.00 0.00 C ATOM 900 C GLU A 62 9.012 -9.236 -1.502 1.00 0.00 C ATOM 901 O GLU A 62 9.327 -8.213 -0.911 1.00 0.00 O ATOM 902 CB GLU A 62 9.603 -11.023 0.164 1.00 0.00 C ATOM 903 CG GLU A 62 9.196 -12.256 0.979 1.00 0.00 C ATOM 904 CD GLU A 62 10.316 -12.853 1.840 1.00 0.00 C ATOM 905 OE1 GLU A 62 11.328 -12.178 2.141 1.00 0.00 O ATOM 906 OE2 GLU A 62 10.178 -14.040 2.198 1.00 0.00 O ATOM 0 H GLU A 62 8.598 -12.325 -1.677 1.00 0.00 H new ATOM 0 HA GLU A 62 7.648 -10.127 -0.145 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.465 -11.278 -0.452 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.923 -10.239 0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.362 -11.987 1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.834 -13.023 0.295 1.00 0.00 H new ATOM 913 N GLY A 63 9.059 -9.288 -2.825 1.00 0.00 N ATOM 914 CA GLY A 63 9.520 -8.219 -3.689 1.00 0.00 C ATOM 915 C GLY A 63 8.578 -8.097 -4.868 1.00 0.00 C ATOM 916 O GLY A 63 9.019 -7.719 -5.953 1.00 0.00 O ATOM 0 H GLY A 63 8.763 -10.114 -3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.557 -7.279 -3.138 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.533 -8.425 -4.036 1.00 0.00 H new ATOM 920 N ALA A 64 7.303 -8.455 -4.679 1.00 0.00 N ATOM 921 CA ALA A 64 6.272 -8.122 -5.640 1.00 0.00 C ATOM 922 C ALA A 64 6.205 -6.605 -5.660 1.00 0.00 C ATOM 923 O ALA A 64 6.287 -5.972 -4.602 1.00 0.00 O ATOM 924 CB ALA A 64 4.947 -8.780 -5.235 1.00 0.00 C ATOM 0 H ALA A 64 6.971 -8.975 -3.867 1.00 0.00 H new ATOM 0 HA ALA A 64 6.487 -8.494 -6.642 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.177 -8.525 -5.963 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.073 -9.862 -5.204 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.649 -8.421 -4.250 1.00 0.00 H new ATOM 930 N GLU A 65 6.120 -6.023 -6.852 1.00 0.00 N ATOM 931 CA GLU A 65 5.736 -4.641 -6.994 1.00 0.00 C ATOM 932 C GLU A 65 4.241 -4.631 -6.707 1.00 0.00 C ATOM 933 O GLU A 65 3.477 -5.431 -7.268 1.00 0.00 O ATOM 934 CB GLU A 65 6.127 -4.074 -8.367 1.00 0.00 C ATOM 935 CG GLU A 65 5.557 -4.823 -9.572 1.00 0.00 C ATOM 936 CD GLU A 65 5.935 -4.149 -10.887 1.00 0.00 C ATOM 937 OE1 GLU A 65 7.036 -4.421 -11.418 1.00 0.00 O ATOM 938 OE2 GLU A 65 5.085 -3.439 -11.473 1.00 0.00 O ATOM 0 H GLU A 65 6.315 -6.499 -7.733 1.00 0.00 H new ATOM 0 HA GLU A 65 6.260 -3.979 -6.305 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.801 -3.035 -8.419 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.214 -4.071 -8.444 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.925 -5.849 -9.570 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.471 -4.874 -9.488 1.00 0.00 H new ATOM 945 N VAL A 66 3.856 -3.784 -5.763 1.00 0.00 N ATOM 946 CA VAL A 66 2.479 -3.603 -5.341 1.00 0.00 C ATOM 947 C VAL A 66 2.240 -2.103 -5.221 1.00 0.00 C ATOM 948 O VAL A 66 3.160 -1.364 -4.867 1.00 0.00 O ATOM 949 CB VAL A 66 2.173 -4.385 -4.043 1.00 0.00 C ATOM 950 CG1 VAL A 66 2.485 -5.877 -4.222 1.00 0.00 C ATOM 951 CG2 VAL A 66 2.950 -3.881 -2.816 1.00 0.00 C ATOM 0 H VAL A 66 4.512 -3.189 -5.257 1.00 0.00 H new ATOM 0 HA VAL A 66 1.786 -4.016 -6.074 1.00 0.00 H new ATOM 0 HB VAL A 66 1.111 -4.223 -3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.263 -6.409 -3.297 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.875 -6.282 -5.029 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.540 -6.001 -4.467 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.682 -4.479 -1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.020 -3.970 -3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.699 -2.837 -2.630 1.00 0.00 H new ATOM 961 N SER A 67 1.022 -1.644 -5.497 1.00 0.00 N ATOM 962 CA SER A 67 0.709 -0.225 -5.453 1.00 0.00 C ATOM 963 C SER A 67 -0.450 -0.007 -4.511 1.00 0.00 C ATOM 964 O SER A 67 -1.427 -0.755 -4.476 1.00 0.00 O ATOM 965 CB SER A 67 0.480 0.300 -6.860 1.00 0.00 C ATOM 966 OG SER A 67 0.457 1.710 -6.939 1.00 0.00 O ATOM 0 H SER A 67 0.235 -2.240 -5.754 1.00 0.00 H new ATOM 0 HA SER A 67 1.545 0.353 -5.058 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.266 -0.080 -7.513 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.465 -0.092 -7.236 1.00 0.00 H new ATOM 0 HG SER A 67 1.323 2.034 -7.265 1.00 0.00 H new ATOM 972 N VAL A 68 -0.256 1.021 -3.704 1.00 0.00 N ATOM 973 CA VAL A 68 -1.085 1.348 -2.575 1.00 0.00 C ATOM 974 C VAL A 68 -1.986 2.483 -3.011 1.00 0.00 C ATOM 975 O VAL A 68 -1.564 3.295 -3.833 1.00 0.00 O ATOM 976 CB VAL A 68 -0.222 1.764 -1.377 1.00 0.00 C ATOM 977 CG1 VAL A 68 1.012 0.890 -1.128 1.00 0.00 C ATOM 978 CG2 VAL A 68 0.089 3.233 -1.261 1.00 0.00 C ATOM 0 H VAL A 68 0.518 1.673 -3.829 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.674 0.487 -2.258 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.906 1.560 -0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.555 1.266 -0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.699 -0.137 -0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.661 0.919 -2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.704 3.406 -0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.629 3.562 -2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.840 3.796 -1.172 1.00 0.00 H new ATOM 988 N SER A 69 -3.133 2.654 -2.356 1.00 0.00 N ATOM 989 CA SER A 69 -3.880 3.893 -2.472 1.00 0.00 C ATOM 990 C SER A 69 -4.679 4.159 -1.197 1.00 0.00 C ATOM 991 O SER A 69 -5.355 3.254 -0.702 1.00 0.00 O ATOM 992 CB SER A 69 -4.700 3.833 -3.776 1.00 0.00 C ATOM 993 OG SER A 69 -5.908 3.100 -3.739 1.00 0.00 O ATOM 0 H SER A 69 -3.557 1.955 -1.747 1.00 0.00 H new ATOM 0 HA SER A 69 -3.227 4.762 -2.555 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.932 4.854 -4.078 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.068 3.406 -4.555 1.00 0.00 H new ATOM 0 HG SER A 69 -6.339 3.135 -4.619 1.00 0.00 H new ATOM 999 N VAL A 70 -4.631 5.385 -0.671 1.00 0.00 N ATOM 1000 CA VAL A 70 -5.447 5.835 0.449 1.00 0.00 C ATOM 1001 C VAL A 70 -5.955 7.244 0.165 1.00 0.00 C ATOM 1002 O VAL A 70 -5.291 8.066 -0.466 1.00 0.00 O ATOM 1003 CB VAL A 70 -4.679 5.748 1.782 1.00 0.00 C ATOM 1004 CG1 VAL A 70 -3.473 6.693 1.865 1.00 0.00 C ATOM 1005 CG2 VAL A 70 -5.630 6.023 2.955 1.00 0.00 C ATOM 0 H VAL A 70 -4.005 6.108 -1.025 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.306 5.173 0.556 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.284 4.734 1.838 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.984 6.574 2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.768 6.453 1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.810 7.724 1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.079 5.959 3.893 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.056 7.021 2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.431 5.284 2.954 1.00 0.00 H new ATOM 1015 N TRP A 71 -7.159 7.524 0.637 1.00 0.00 N ATOM 1016 CA TRP A 71 -7.780 8.823 0.534 1.00 0.00 C ATOM 1017 C TRP A 71 -7.529 9.569 1.840 1.00 0.00 C ATOM 1018 O TRP A 71 -7.730 9.024 2.929 1.00 0.00 O ATOM 1019 CB TRP A 71 -9.268 8.614 0.276 1.00 0.00 C ATOM 1020 CG TRP A 71 -9.594 7.943 -1.029 1.00 0.00 C ATOM 1021 CD1 TRP A 71 -9.745 6.612 -1.199 1.00 0.00 C ATOM 1022 CD2 TRP A 71 -9.822 8.531 -2.349 1.00 0.00 C ATOM 1023 NE1 TRP A 71 -10.056 6.338 -2.513 1.00 0.00 N ATOM 1024 CE2 TRP A 71 -10.126 7.483 -3.269 1.00 0.00 C ATOM 1025 CE3 TRP A 71 -9.796 9.841 -2.866 1.00 0.00 C ATOM 1026 CZ2 TRP A 71 -10.389 7.726 -4.627 1.00 0.00 C ATOM 1027 CZ3 TRP A 71 -10.110 10.106 -4.213 1.00 0.00 C ATOM 1028 CH2 TRP A 71 -10.404 9.048 -5.095 1.00 0.00 C ATOM 0 H TRP A 71 -7.741 6.834 1.113 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.369 9.414 -0.284 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -9.683 8.018 1.089 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.767 9.583 0.305 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -9.638 5.872 -0.420 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.215 5.400 -2.880 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.529 10.660 -2.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -10.577 6.905 -5.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.125 11.125 -4.571 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -10.640 9.254 -6.128 1.00 0.00 H new ATOM 1039 N THR A 72 -7.097 10.820 1.728 1.00 0.00 N ATOM 1040 CA THR A 72 -6.944 11.721 2.852 1.00 0.00 C ATOM 1041 C THR A 72 -7.410 13.089 2.324 1.00 0.00 C ATOM 1042 O THR A 72 -6.731 13.742 1.538 1.00 0.00 O ATOM 1043 CB THR A 72 -5.523 11.648 3.458 1.00 0.00 C ATOM 1044 OG1 THR A 72 -5.329 12.718 4.352 1.00 0.00 O ATOM 1045 CG2 THR A 72 -4.428 11.706 2.394 1.00 0.00 C ATOM 0 H THR A 72 -6.840 11.239 0.834 1.00 0.00 H new ATOM 0 HA THR A 72 -7.552 11.459 3.718 1.00 0.00 H new ATOM 0 HB THR A 72 -5.450 10.690 3.972 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.428 12.666 4.734 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.451 11.651 2.874 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.543 10.867 1.708 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.508 12.641 1.840 1.00 0.00 H new ATOM 1053 N GLY A 73 -8.685 13.400 2.584 1.00 0.00 N ATOM 1054 CA GLY A 73 -9.244 14.745 2.585 1.00 0.00 C ATOM 1055 C GLY A 73 -8.864 15.703 1.455 1.00 0.00 C ATOM 1056 O GLY A 73 -8.628 16.872 1.734 1.00 0.00 O ATOM 0 H GLY A 73 -9.379 12.687 2.808 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.330 14.651 2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.964 15.218 3.526 1.00 0.00 H new ATOM 1060 N GLY A 74 -8.809 15.284 0.185 1.00 0.00 N ATOM 1061 CA GLY A 74 -8.519 16.223 -0.896 1.00 0.00 C ATOM 1062 C GLY A 74 -8.255 15.518 -2.220 1.00 0.00 C ATOM 1063 O GLY A 74 -8.725 15.965 -3.271 1.00 0.00 O ATOM 0 H GLY A 74 -8.959 14.320 -0.112 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.358 16.909 -1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.651 16.825 -0.628 1.00 0.00 H new ATOM 1067 N ALA A 75 -7.531 14.406 -2.184 1.00 0.00 N ATOM 1068 CA ALA A 75 -7.309 13.572 -3.349 1.00 0.00 C ATOM 1069 C ALA A 75 -7.062 12.137 -2.902 1.00 0.00 C ATOM 1070 O ALA A 75 -7.089 11.805 -1.708 1.00 0.00 O ATOM 1071 CB ALA A 75 -6.117 14.106 -4.153 1.00 0.00 C ATOM 0 H ALA A 75 -7.080 14.059 -1.337 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.190 13.593 -3.991 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.956 13.475 -5.027 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.324 15.127 -4.476 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.224 14.097 -3.529 1.00 0.00 H new ATOM 1077 N LEU A 76 -6.808 11.289 -3.890 1.00 0.00 N ATOM 1078 CA LEU A 76 -6.287 9.955 -3.704 1.00 0.00 C ATOM 1079 C LEU A 76 -4.773 10.062 -3.665 1.00 0.00 C ATOM 1080 O LEU A 76 -4.143 10.403 -4.669 1.00 0.00 O ATOM 1081 CB LEU A 76 -6.725 9.064 -4.865 1.00 0.00 C ATOM 1082 CG LEU A 76 -6.611 7.544 -4.648 1.00 0.00 C ATOM 1083 CD1 LEU A 76 -6.008 6.868 -5.879 1.00 0.00 C ATOM 1084 CD2 LEU A 76 -6.054 7.054 -3.322 1.00 0.00 C ATOM 0 H LEU A 76 -6.966 11.524 -4.870 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.661 9.515 -2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.763 9.298 -5.101 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.132 9.329 -5.740 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.643 7.210 -4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.936 5.794 -5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.644 7.054 -6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.013 7.273 -6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.034 5.964 -3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.042 7.436 -3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.686 7.410 -2.508 1.00 0.00 H new ATOM 1096 N CYS A 77 -4.191 9.778 -2.510 1.00 0.00 N ATOM 1097 CA CYS A 77 -2.764 9.644 -2.347 1.00 0.00 C ATOM 1098 C CYS A 77 -2.443 8.188 -2.612 1.00 0.00 C ATOM 1099 O CYS A 77 -2.818 7.323 -1.818 1.00 0.00 O ATOM 1100 CB CYS A 77 -2.376 10.041 -0.925 1.00 0.00 C ATOM 1101 SG CYS A 77 -2.426 11.843 -0.754 1.00 0.00 S ATOM 0 H CYS A 77 -4.714 9.633 -1.646 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.210 10.289 -3.029 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.058 9.580 -0.210 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.376 9.673 -0.695 1.00 0.00 H new ATOM 0 HG CYS A 77 -1.591 12.214 0.171 1.00 0.00 H new ATOM 1107 N ARG A 78 -1.807 7.883 -3.742 1.00 0.00 N ATOM 1108 CA ARG A 78 -1.448 6.500 -4.022 1.00 0.00 C ATOM 1109 C ARG A 78 0.051 6.481 -4.202 1.00 0.00 C ATOM 1110 O ARG A 78 0.659 7.515 -4.486 1.00 0.00 O ATOM 1111 CB ARG A 78 -2.248 5.936 -5.211 1.00 0.00 C ATOM 1112 CG ARG A 78 -1.568 5.929 -6.583 1.00 0.00 C ATOM 1113 CD ARG A 78 -0.820 4.620 -6.931 1.00 0.00 C ATOM 1114 NE ARG A 78 -0.532 4.507 -8.381 1.00 0.00 N ATOM 1115 CZ ARG A 78 -1.035 3.592 -9.226 1.00 0.00 C ATOM 1116 NH1 ARG A 78 -1.762 2.581 -8.761 1.00 0.00 N ATOM 1117 NH2 ARG A 78 -0.849 3.687 -10.538 1.00 0.00 N ATOM 0 H ARG A 78 -1.537 8.556 -4.459 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.714 5.831 -3.203 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.530 4.911 -4.970 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.171 6.509 -5.297 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.323 6.114 -7.348 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.861 6.757 -6.626 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.115 4.579 -6.372 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.419 3.766 -6.614 1.00 0.00 H new ATOM 0 HE ARG A 78 0.112 5.192 -8.776 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.939 2.498 -7.760 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.143 1.888 -9.405 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.315 4.466 -10.922 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.240 2.980 -11.161 1.00 0.00 H new ATOM 1131 N CYS A 79 0.642 5.308 -4.021 1.00 0.00 N ATOM 1132 CA CYS A 79 2.094 5.186 -4.105 1.00 0.00 C ATOM 1133 C CYS A 79 2.435 3.820 -4.650 1.00 0.00 C ATOM 1134 O CYS A 79 1.854 2.829 -4.213 1.00 0.00 O ATOM 1135 CB CYS A 79 2.715 5.410 -2.719 1.00 0.00 C ATOM 1136 SG CYS A 79 4.518 5.656 -2.823 1.00 0.00 S ATOM 0 H CYS A 79 0.149 4.438 -3.818 1.00 0.00 H new ATOM 0 HA CYS A 79 2.502 5.942 -4.776 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.255 6.280 -2.250 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.500 4.553 -2.081 1.00 0.00 H new ATOM 0 HG CYS A 79 5.074 4.589 -3.314 1.00 0.00 H new ATOM 1142 N ASP A 80 3.391 3.753 -5.566 1.00 0.00 N ATOM 1143 CA ASP A 80 3.960 2.474 -5.959 1.00 0.00 C ATOM 1144 C ASP A 80 4.894 1.999 -4.844 1.00 0.00 C ATOM 1145 O ASP A 80 5.370 2.782 -4.018 1.00 0.00 O ATOM 1146 CB ASP A 80 4.677 2.581 -7.313 1.00 0.00 C ATOM 1147 CG ASP A 80 3.721 2.782 -8.494 1.00 0.00 C ATOM 1148 OD1 ASP A 80 2.569 2.278 -8.436 1.00 0.00 O ATOM 1149 OD2 ASP A 80 4.150 3.416 -9.487 1.00 0.00 O ATOM 0 H ASP A 80 3.785 4.562 -6.046 1.00 0.00 H new ATOM 0 HA ASP A 80 3.169 1.737 -6.094 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.380 3.413 -7.279 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.262 1.676 -7.479 1.00 0.00 H new ATOM 1154 N GLY A 81 5.164 0.703 -4.794 1.00 0.00 N ATOM 1155 CA GLY A 81 5.881 0.092 -3.701 1.00 0.00 C ATOM 1156 C GLY A 81 6.367 -1.296 -4.045 1.00 0.00 C ATOM 1157 O GLY A 81 6.149 -1.798 -5.154 1.00 0.00 O ATOM 0 H GLY A 81 4.886 0.045 -5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.732 0.717 -3.432 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.233 0.042 -2.826 1.00 0.00 H new ATOM 1161 N ARG A 82 7.030 -1.923 -3.077 1.00 0.00 N ATOM 1162 CA ARG A 82 7.311 -3.351 -3.088 1.00 0.00 C ATOM 1163 C ARG A 82 6.820 -3.930 -1.775 1.00 0.00 C ATOM 1164 O ARG A 82 6.656 -3.195 -0.800 1.00 0.00 O ATOM 1165 CB ARG A 82 8.789 -3.676 -3.334 1.00 0.00 C ATOM 1166 CG ARG A 82 9.321 -2.858 -4.511 1.00 0.00 C ATOM 1167 CD ARG A 82 10.291 -3.616 -5.394 1.00 0.00 C ATOM 1168 NE ARG A 82 11.630 -3.815 -4.824 1.00 0.00 N ATOM 1169 CZ ARG A 82 12.664 -4.314 -5.514 1.00 0.00 C ATOM 1170 NH1 ARG A 82 12.515 -4.673 -6.794 1.00 0.00 N ATOM 1171 NH2 ARG A 82 13.846 -4.449 -4.922 1.00 0.00 N ATOM 0 H ARG A 82 7.391 -1.444 -2.252 1.00 0.00 H new ATOM 0 HA ARG A 82 6.785 -3.807 -3.927 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.371 -3.458 -2.438 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.906 -4.740 -3.539 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.480 -2.521 -5.117 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.815 -1.965 -4.127 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.862 -4.592 -5.623 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.391 -3.082 -6.339 1.00 0.00 H new ATOM 0 HE ARG A 82 11.781 -3.559 -3.848 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.609 -4.567 -7.251 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.307 -5.052 -7.313 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.962 -4.173 -3.947 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.637 -4.828 -5.443 1.00 0.00 H new ATOM 1185 N VAL A 83 6.648 -5.245 -1.733 1.00 0.00 N ATOM 1186 CA VAL A 83 6.241 -5.967 -0.535 1.00 0.00 C ATOM 1187 C VAL A 83 7.308 -5.822 0.569 1.00 0.00 C ATOM 1188 O VAL A 83 6.978 -5.684 1.742 1.00 0.00 O ATOM 1189 CB VAL A 83 5.891 -7.396 -1.000 1.00 0.00 C ATOM 1190 CG1 VAL A 83 5.669 -8.397 0.114 1.00 0.00 C ATOM 1191 CG2 VAL A 83 4.564 -7.343 -1.770 1.00 0.00 C ATOM 0 H VAL A 83 6.790 -5.849 -2.543 1.00 0.00 H new ATOM 0 HA VAL A 83 5.352 -5.565 -0.048 1.00 0.00 H new ATOM 0 HB VAL A 83 6.749 -7.724 -1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.429 -9.370 -0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.574 -8.479 0.716 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.844 -8.064 0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.299 -8.345 -2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.779 -6.961 -1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.670 -6.686 -2.633 1.00 0.00 H new ATOM 1201 N GLU A 84 8.582 -5.714 0.219 1.00 0.00 N ATOM 1202 CA GLU A 84 9.750 -5.719 1.105 1.00 0.00 C ATOM 1203 C GLU A 84 9.960 -7.059 1.833 1.00 0.00 C ATOM 1204 O GLU A 84 10.972 -7.715 1.591 1.00 0.00 O ATOM 1205 CB GLU A 84 9.687 -4.511 2.057 1.00 0.00 C ATOM 1206 CG GLU A 84 11.055 -3.997 2.521 1.00 0.00 C ATOM 1207 CD GLU A 84 11.814 -4.972 3.434 1.00 0.00 C ATOM 1208 OE1 GLU A 84 11.299 -5.289 4.527 1.00 0.00 O ATOM 1209 OE2 GLU A 84 12.953 -5.378 3.109 1.00 0.00 O ATOM 0 H GLU A 84 8.851 -5.613 -0.760 1.00 0.00 H new ATOM 0 HA GLU A 84 10.641 -5.614 0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.157 -3.699 1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.099 -4.785 2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.668 -3.785 1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.917 -3.054 3.050 1.00 0.00 H new ATOM 1216 N THR A 85 9.074 -7.474 2.737 1.00 0.00 N ATOM 1217 CA THR A 85 9.270 -8.653 3.600 1.00 0.00 C ATOM 1218 C THR A 85 7.901 -9.217 3.954 1.00 0.00 C ATOM 1219 O THR A 85 7.233 -8.670 4.840 1.00 0.00 O ATOM 1220 CB THR A 85 10.048 -8.282 4.884 1.00 0.00 C ATOM 1221 OG1 THR A 85 11.384 -7.925 4.613 1.00 0.00 O ATOM 1222 CG2 THR A 85 10.080 -9.442 5.889 1.00 0.00 C ATOM 0 H THR A 85 8.186 -6.999 2.898 1.00 0.00 H new ATOM 0 HA THR A 85 9.860 -9.399 3.068 1.00 0.00 H new ATOM 0 HB THR A 85 9.514 -7.431 5.306 1.00 0.00 H new ATOM 0 HG1 THR A 85 11.549 -7.011 4.927 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.636 -9.139 6.776 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.061 -9.706 6.172 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.566 -10.305 5.433 1.00 0.00 H new ATOM 1230 N LEU A 86 7.428 -10.224 3.217 1.00 0.00 N ATOM 1231 CA LEU A 86 6.142 -10.875 3.479 1.00 0.00 C ATOM 1232 C LEU A 86 6.274 -11.681 4.779 1.00 0.00 C ATOM 1233 O LEU A 86 7.390 -11.981 5.216 1.00 0.00 O ATOM 1234 CB LEU A 86 5.748 -11.766 2.280 1.00 0.00 C ATOM 1235 CG LEU A 86 4.235 -12.036 2.135 1.00 0.00 C ATOM 1236 CD1 LEU A 86 3.598 -10.999 1.202 1.00 0.00 C ATOM 1237 CD2 LEU A 86 3.940 -13.403 1.520 1.00 0.00 C ATOM 0 H LEU A 86 7.928 -10.613 2.418 1.00 0.00 H new ATOM 0 HA LEU A 86 5.348 -10.138 3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.107 -11.296 1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.265 -12.721 2.372 1.00 0.00 H new ATOM 0 HG LEU A 86 3.826 -11.988 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.531 -11.201 1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.744 -10.001 1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.066 -11.058 0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.862 -13.541 1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.387 -13.460 0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.361 -14.185 2.152 1.00 0.00 H new ATOM 1249 N ARG A 87 5.160 -12.057 5.406 1.00 0.00 N ATOM 1250 CA ARG A 87 5.144 -12.906 6.601 1.00 0.00 C ATOM 1251 C ARG A 87 4.111 -14.011 6.431 1.00 0.00 C ATOM 1252 O ARG A 87 4.367 -15.139 6.842 1.00 0.00 O ATOM 1253 CB ARG A 87 4.881 -12.040 7.847 1.00 0.00 C ATOM 1254 CG ARG A 87 4.565 -12.832 9.124 1.00 0.00 C ATOM 1255 CD ARG A 87 4.063 -11.908 10.239 1.00 0.00 C ATOM 1256 NE ARG A 87 3.165 -12.652 11.138 1.00 0.00 N ATOM 1257 CZ ARG A 87 3.518 -13.364 12.209 1.00 0.00 C ATOM 1258 NH1 ARG A 87 4.733 -13.250 12.736 1.00 0.00 N ATOM 1259 NH2 ARG A 87 2.629 -14.199 12.730 1.00 0.00 N ATOM 0 H ARG A 87 4.229 -11.778 5.095 1.00 0.00 H new ATOM 0 HA ARG A 87 6.113 -13.386 6.737 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.756 -11.416 8.030 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.048 -11.369 7.637 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.811 -13.589 8.908 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.459 -13.359 9.459 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.908 -11.510 10.802 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.537 -11.056 9.808 1.00 0.00 H new ATOM 0 HE ARG A 87 2.169 -12.619 10.919 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.411 -12.611 12.321 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.987 -13.802 13.555 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.703 -14.284 12.311 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.872 -14.756 13.549 1.00 0.00 H new ATOM 1273 N ASP A 88 2.942 -13.694 5.890 1.00 0.00 N ATOM 1274 CA ASP A 88 1.895 -14.638 5.547 1.00 0.00 C ATOM 1275 C ASP A 88 1.161 -14.066 4.335 1.00 0.00 C ATOM 1276 O ASP A 88 1.312 -12.891 4.000 1.00 0.00 O ATOM 1277 CB ASP A 88 0.890 -14.830 6.703 1.00 0.00 C ATOM 1278 CG ASP A 88 1.426 -15.634 7.890 1.00 0.00 C ATOM 1279 OD1 ASP A 88 1.483 -16.875 7.759 1.00 0.00 O ATOM 1280 OD2 ASP A 88 1.670 -15.077 8.986 1.00 0.00 O ATOM 0 H ASP A 88 2.690 -12.730 5.670 1.00 0.00 H new ATOM 0 HA ASP A 88 2.338 -15.612 5.339 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.575 -13.849 7.059 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.002 -15.329 6.315 1.00 0.00 H new ATOM 1285 N ASP A 89 0.248 -14.843 3.759 1.00 0.00 N ATOM 1286 CA ASP A 89 -0.618 -14.492 2.621 1.00 0.00 C ATOM 1287 C ASP A 89 -1.544 -13.294 2.931 1.00 0.00 C ATOM 1288 O ASP A 89 -2.236 -12.787 2.045 1.00 0.00 O ATOM 1289 CB ASP A 89 -1.435 -15.740 2.198 1.00 0.00 C ATOM 1290 CG ASP A 89 -0.690 -16.699 1.255 1.00 0.00 C ATOM 1291 OD1 ASP A 89 0.111 -16.231 0.415 1.00 0.00 O ATOM 1292 OD2 ASP A 89 -0.837 -17.935 1.438 1.00 0.00 O ATOM 0 H ASP A 89 0.077 -15.793 4.089 1.00 0.00 H new ATOM 0 HA ASP A 89 0.017 -14.175 1.794 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.729 -16.287 3.094 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -2.352 -15.410 1.710 1.00 0.00 H new ATOM 1297 N ARG A 90 -1.545 -12.816 4.182 1.00 0.00 N ATOM 1298 CA ARG A 90 -2.382 -11.745 4.728 1.00 0.00 C ATOM 1299 C ARG A 90 -1.658 -10.794 5.678 1.00 0.00 C ATOM 1300 O ARG A 90 -2.242 -9.774 6.035 1.00 0.00 O ATOM 1301 CB ARG A 90 -3.584 -12.357 5.463 1.00 0.00 C ATOM 1302 CG ARG A 90 -3.183 -13.339 6.578 1.00 0.00 C ATOM 1303 CD ARG A 90 -4.401 -14.045 7.178 1.00 0.00 C ATOM 1304 NE ARG A 90 -4.025 -15.369 7.697 1.00 0.00 N ATOM 1305 CZ ARG A 90 -3.482 -15.676 8.878 1.00 0.00 C ATOM 1306 NH1 ARG A 90 -3.222 -14.737 9.788 1.00 0.00 N ATOM 1307 NH2 ARG A 90 -3.176 -16.945 9.139 1.00 0.00 N ATOM 0 H ARG A 90 -0.915 -13.196 4.888 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.692 -11.148 3.870 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.184 -11.555 5.894 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.216 -12.876 4.742 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.493 -14.082 6.178 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.652 -12.801 7.363 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.821 -13.439 7.981 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.177 -14.152 6.420 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.202 -16.156 7.073 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.438 -13.760 9.589 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.807 -14.995 10.683 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.357 -17.667 8.442 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.761 -17.195 10.036 1.00 0.00 H new ATOM 1321 N GLN A 91 -0.439 -11.106 6.128 1.00 0.00 N ATOM 1322 CA GLN A 91 0.339 -10.219 6.972 1.00 0.00 C ATOM 1323 C GLN A 91 1.647 -10.000 6.260 1.00 0.00 C ATOM 1324 O GLN A 91 2.330 -10.960 5.910 1.00 0.00 O ATOM 1325 CB GLN A 91 0.659 -10.802 8.342 1.00 0.00 C ATOM 1326 CG GLN A 91 -0.548 -11.088 9.234 1.00 0.00 C ATOM 1327 CD GLN A 91 -0.081 -11.245 10.674 1.00 0.00 C ATOM 1328 OE1 GLN A 91 0.154 -12.349 11.164 1.00 0.00 O ATOM 1329 NE2 GLN A 91 0.123 -10.147 11.384 1.00 0.00 N ATOM 0 H GLN A 91 0.030 -11.986 5.912 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.241 -9.311 7.138 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.213 -11.730 8.202 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.320 -10.112 8.866 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -1.270 -10.275 9.160 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.054 -11.995 8.902 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -0.072 -9.233 10.976 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.476 -10.215 12.339 1.00 0.00 H new ATOM 1338 N PHE A 92 1.985 -8.747 6.038 1.00 0.00 N ATOM 1339 CA PHE A 92 3.149 -8.387 5.263 1.00 0.00 C ATOM 1340 C PHE A 92 3.441 -6.905 5.458 1.00 0.00 C ATOM 1341 O PHE A 92 2.590 -6.124 5.898 1.00 0.00 O ATOM 1342 CB PHE A 92 2.888 -8.791 3.800 1.00 0.00 C ATOM 1343 CG PHE A 92 1.571 -8.425 3.162 1.00 0.00 C ATOM 1344 CD1 PHE A 92 1.417 -7.158 2.583 1.00 0.00 C ATOM 1345 CD2 PHE A 92 0.555 -9.387 3.036 1.00 0.00 C ATOM 1346 CE1 PHE A 92 0.251 -6.848 1.870 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -0.642 -9.055 2.381 1.00 0.00 C ATOM 1348 CZ PHE A 92 -0.789 -7.792 1.782 1.00 0.00 C ATOM 0 H PHE A 92 1.457 -7.949 6.392 1.00 0.00 H new ATOM 0 HA PHE A 92 4.045 -8.915 5.589 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.680 -8.354 3.192 1.00 0.00 H new ATOM 0 HB3 PHE A 92 2.996 -9.874 3.734 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.198 -6.419 2.686 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.694 -10.378 3.441 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.151 -5.886 1.389 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.450 -9.770 2.338 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.699 -7.546 1.255 1.00 0.00 H new ATOM 1358 N ALA A 93 4.686 -6.544 5.184 1.00 0.00 N ATOM 1359 CA ALA A 93 5.155 -5.185 5.064 1.00 0.00 C ATOM 1360 C ALA A 93 4.780 -4.597 3.699 1.00 0.00 C ATOM 1361 O ALA A 93 4.309 -5.292 2.805 1.00 0.00 O ATOM 1362 CB ALA A 93 6.678 -5.147 5.236 1.00 0.00 C ATOM 0 H ALA A 93 5.427 -7.229 5.033 1.00 0.00 H new ATOM 0 HA ALA A 93 4.681 -4.587 5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.029 -4.119 5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.943 -5.535 6.220 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.147 -5.760 4.466 1.00 0.00 H new ATOM 1368 N ILE A 94 5.086 -3.322 3.499 1.00 0.00 N ATOM 1369 CA ILE A 94 5.233 -2.701 2.188 1.00 0.00 C ATOM 1370 C ILE A 94 6.218 -1.550 2.333 1.00 0.00 C ATOM 1371 O ILE A 94 6.255 -0.905 3.385 1.00 0.00 O ATOM 1372 CB ILE A 94 3.892 -2.151 1.651 1.00 0.00 C ATOM 1373 CG1 ILE A 94 2.953 -1.639 2.761 1.00 0.00 C ATOM 1374 CG2 ILE A 94 3.200 -3.156 0.721 1.00 0.00 C ATOM 1375 CD1 ILE A 94 1.884 -0.671 2.247 1.00 0.00 C ATOM 0 H ILE A 94 5.244 -2.671 4.268 1.00 0.00 H new ATOM 0 HA ILE A 94 5.584 -3.452 1.480 1.00 0.00 H new ATOM 0 HB ILE A 94 4.141 -1.273 1.054 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.465 -2.490 3.236 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.546 -1.141 3.529 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.261 -2.734 0.364 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.848 -3.371 -0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.999 -4.078 1.267 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.256 -0.348 3.077 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.365 0.197 1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.268 -1.172 1.500 1.00 0.00 H new ATOM 1387 N ARG A 95 6.958 -1.238 1.268 1.00 0.00 N ATOM 1388 CA ARG A 95 7.932 -0.150 1.218 1.00 0.00 C ATOM 1389 C ARG A 95 7.583 0.757 0.044 1.00 0.00 C ATOM 1390 O ARG A 95 7.691 0.344 -1.107 1.00 0.00 O ATOM 1391 CB ARG A 95 9.324 -0.790 1.123 1.00 0.00 C ATOM 1392 CG ARG A 95 10.489 0.099 1.540 1.00 0.00 C ATOM 1393 CD ARG A 95 10.829 1.240 0.592 1.00 0.00 C ATOM 1394 NE ARG A 95 11.782 2.129 1.266 1.00 0.00 N ATOM 1395 CZ ARG A 95 12.668 2.951 0.711 1.00 0.00 C ATOM 1396 NH1 ARG A 95 12.919 2.900 -0.589 1.00 0.00 N ATOM 1397 NH2 ARG A 95 13.273 3.825 1.504 1.00 0.00 N ATOM 0 H ARG A 95 6.893 -1.753 0.390 1.00 0.00 H new ATOM 0 HA ARG A 95 7.919 0.481 2.107 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.335 -1.686 1.743 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.486 -1.112 0.094 1.00 0.00 H new ATOM 0 HG2 ARG A 95 10.266 0.521 2.520 1.00 0.00 H new ATOM 0 HG3 ARG A 95 11.374 -0.526 1.657 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.259 0.852 -0.331 1.00 0.00 H new ATOM 0 HD3 ARG A 95 9.927 1.788 0.318 1.00 0.00 H new ATOM 0 HE ARG A 95 11.763 2.115 2.286 1.00 0.00 H new ATOM 0 HH11 ARG A 95 12.430 2.225 -1.177 1.00 0.00 H new ATOM 0 HH12 ARG A 95 13.601 3.536 -1.002 1.00 0.00 H new ATOM 0 HH21 ARG A 95 13.052 3.849 2.499 1.00 0.00 H new ATOM 0 HH22 ARG A 95 13.959 4.474 1.118 1.00 0.00 H new ATOM 1411 N LEU A 96 7.188 1.988 0.370 1.00 0.00 N ATOM 1412 CA LEU A 96 6.757 3.028 -0.554 1.00 0.00 C ATOM 1413 C LEU A 96 7.974 3.541 -1.317 1.00 0.00 C ATOM 1414 O LEU A 96 8.994 3.857 -0.687 1.00 0.00 O ATOM 1415 CB LEU A 96 6.125 4.200 0.234 1.00 0.00 C ATOM 1416 CG LEU A 96 5.004 3.822 1.222 1.00 0.00 C ATOM 1417 CD1 LEU A 96 4.478 5.031 1.994 1.00 0.00 C ATOM 1418 CD2 LEU A 96 3.837 3.056 0.595 1.00 0.00 C ATOM 0 H LEU A 96 7.160 2.300 1.341 1.00 0.00 H new ATOM 0 HA LEU A 96 6.020 2.620 -1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.915 4.707 0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.725 4.919 -0.481 1.00 0.00 H new ATOM 0 HG LEU A 96 5.489 3.138 1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.690 4.712 2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.291 5.481 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.077 5.763 1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.095 2.831 1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.380 3.665 -0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.204 2.126 0.161 1.00 0.00 H new ATOM 1430 N VAL A 97 7.873 3.670 -2.641 1.00 0.00 N ATOM 1431 CA VAL A 97 8.899 4.225 -3.507 1.00 0.00 C ATOM 1432 C VAL A 97 8.264 5.103 -4.589 1.00 0.00 C ATOM 1433 O VAL A 97 7.100 4.931 -4.940 1.00 0.00 O ATOM 1434 CB VAL A 97 9.744 3.090 -4.121 1.00 0.00 C ATOM 1435 CG1 VAL A 97 10.480 2.275 -3.044 1.00 0.00 C ATOM 1436 CG2 VAL A 97 8.954 2.146 -5.041 1.00 0.00 C ATOM 0 H VAL A 97 7.040 3.378 -3.153 1.00 0.00 H new ATOM 0 HA VAL A 97 9.564 4.856 -2.917 1.00 0.00 H new ATOM 0 HB VAL A 97 10.475 3.602 -4.747 1.00 0.00 H new ATOM 0 HG11 VAL A 97 11.063 1.486 -3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.146 2.931 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.753 1.830 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.620 1.377 -5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.149 1.676 -4.476 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.531 2.715 -5.869 1.00 0.00 H new ATOM 1446 N GLY A 98 9.048 6.014 -5.167 1.00 0.00 N ATOM 1447 CA GLY A 98 8.602 6.828 -6.288 1.00 0.00 C ATOM 1448 C GLY A 98 7.764 8.021 -5.843 1.00 0.00 C ATOM 1449 O GLY A 98 7.174 8.687 -6.688 1.00 0.00 O ATOM 0 H GLY A 98 10.005 6.204 -4.870 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.470 7.184 -6.843 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.018 6.212 -6.971 1.00 0.00 H new ATOM 1453 N ARG A 99 7.774 8.343 -4.543 1.00 0.00 N ATOM 1454 CA ARG A 99 6.957 9.335 -3.856 1.00 0.00 C ATOM 1455 C ARG A 99 5.445 9.083 -3.964 1.00 0.00 C ATOM 1456 O ARG A 99 4.967 8.281 -4.761 1.00 0.00 O ATOM 1457 CB ARG A 99 7.357 10.720 -4.363 1.00 0.00 C ATOM 1458 CG ARG A 99 7.249 11.792 -3.283 1.00 0.00 C ATOM 1459 CD ARG A 99 7.660 13.081 -3.962 1.00 0.00 C ATOM 1460 NE ARG A 99 7.607 14.209 -3.019 1.00 0.00 N ATOM 1461 CZ ARG A 99 8.200 15.401 -3.127 1.00 0.00 C ATOM 1462 NH1 ARG A 99 9.062 15.680 -4.098 1.00 0.00 N ATOM 1463 NH2 ARG A 99 7.913 16.337 -2.239 1.00 0.00 N ATOM 0 H ARG A 99 8.409 7.874 -3.897 1.00 0.00 H new ATOM 0 HA ARG A 99 7.155 9.260 -2.787 1.00 0.00 H new ATOM 0 HB2 ARG A 99 8.381 10.685 -4.735 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.721 10.992 -5.205 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.233 11.858 -2.894 1.00 0.00 H new ATOM 0 HG3 ARG A 99 7.900 11.567 -2.438 1.00 0.00 H new ATOM 0 HD2 ARG A 99 8.670 12.981 -4.360 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.002 13.277 -4.808 1.00 0.00 H new ATOM 0 HE ARG A 99 7.048 14.063 -2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 99 9.292 14.972 -4.795 1.00 0.00 H new ATOM 0 HH12 ARG A 99 9.494 16.603 -4.147 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.250 16.142 -1.489 1.00 0.00 H new ATOM 0 HH22 ARG A 99 8.355 17.254 -2.304 1.00 0.00 H new ATOM 1477 N VAL A 100 4.688 9.796 -3.134 1.00 0.00 N ATOM 1478 CA VAL A 100 3.236 9.747 -3.079 1.00 0.00 C ATOM 1479 C VAL A 100 2.758 11.031 -3.761 1.00 0.00 C ATOM 1480 O VAL A 100 3.040 12.121 -3.263 1.00 0.00 O ATOM 1481 CB VAL A 100 2.764 9.705 -1.608 1.00 0.00 C ATOM 1482 CG1 VAL A 100 1.267 9.373 -1.546 1.00 0.00 C ATOM 1483 CG2 VAL A 100 3.545 8.710 -0.731 1.00 0.00 C ATOM 0 H VAL A 100 5.087 10.447 -2.458 1.00 0.00 H new ATOM 0 HA VAL A 100 2.836 8.860 -3.570 1.00 0.00 H new ATOM 0 HB VAL A 100 2.957 10.698 -1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.943 9.346 -0.506 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.703 10.136 -2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.090 8.401 -2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.156 8.738 0.287 1.00 0.00 H new ATOM 0 HG22 VAL A 100 3.433 7.704 -1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 100 4.600 8.982 -0.723 1.00 0.00 H new ATOM 1493 N ARG A 101 2.093 10.937 -4.910 1.00 0.00 N ATOM 1494 CA ARG A 101 1.389 12.053 -5.541 1.00 0.00 C ATOM 1495 C ARG A 101 -0.134 11.878 -5.398 1.00 0.00 C ATOM 1496 O ARG A 101 -0.643 10.782 -5.156 1.00 0.00 O ATOM 1497 CB ARG A 101 1.931 12.188 -6.983 1.00 0.00 C ATOM 1498 CG ARG A 101 1.352 13.340 -7.817 1.00 0.00 C ATOM 1499 CD ARG A 101 0.255 12.902 -8.800 1.00 0.00 C ATOM 1500 NE ARG A 101 -0.634 14.003 -9.206 1.00 0.00 N ATOM 1501 CZ ARG A 101 -0.412 14.963 -10.107 1.00 0.00 C ATOM 1502 NH1 ARG A 101 0.787 15.130 -10.661 1.00 0.00 N ATOM 1503 NH2 ARG A 101 -1.413 15.759 -10.460 1.00 0.00 N ATOM 0 H ARG A 101 2.027 10.068 -5.439 1.00 0.00 H new ATOM 0 HA ARG A 101 1.579 13.006 -5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 101 3.013 12.311 -6.933 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.740 11.253 -7.510 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.944 14.094 -7.144 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.159 13.814 -8.375 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.721 12.474 -9.687 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.341 12.113 -8.341 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.539 14.037 -8.737 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.560 14.518 -10.399 1.00 0.00 H new ATOM 0 HH12 ARG A 101 0.933 15.870 -11.347 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.336 15.633 -10.044 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.260 16.497 -11.147 1.00 0.00 H new ATOM 1517 N GLU A 102 -0.867 12.974 -5.577 1.00 0.00 N ATOM 1518 CA GLU A 102 -2.326 13.062 -5.632 1.00 0.00 C ATOM 1519 C GLU A 102 -2.800 12.616 -7.023 1.00 0.00 C ATOM 1520 O GLU A 102 -3.056 13.449 -7.899 1.00 0.00 O ATOM 1521 CB GLU A 102 -2.719 14.526 -5.361 1.00 0.00 C ATOM 1522 CG GLU A 102 -2.491 14.936 -3.893 1.00 0.00 C ATOM 1523 CD GLU A 102 -2.099 16.407 -3.709 1.00 0.00 C ATOM 1524 OE1 GLU A 102 -2.346 17.239 -4.606 1.00 0.00 O ATOM 1525 OE2 GLU A 102 -1.543 16.715 -2.623 1.00 0.00 O ATOM 0 H GLU A 102 -0.428 13.887 -5.696 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.792 12.417 -4.888 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.140 15.181 -6.012 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.769 14.670 -5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.401 14.740 -3.326 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.709 14.307 -3.468 1.00 0.00 H new ATOM 1532 N LEU A 103 -2.814 11.308 -7.298 1.00 0.00 N ATOM 1533 CA LEU A 103 -3.038 10.818 -8.663 1.00 0.00 C ATOM 1534 C LEU A 103 -4.475 11.023 -9.123 1.00 0.00 C ATOM 1535 O LEU A 103 -4.712 11.403 -10.270 1.00 0.00 O ATOM 1536 CB LEU A 103 -2.689 9.329 -8.822 1.00 0.00 C ATOM 1537 CG LEU A 103 -1.206 9.039 -9.085 1.00 0.00 C ATOM 1538 CD1 LEU A 103 -0.346 9.193 -7.831 1.00 0.00 C ATOM 1539 CD2 LEU A 103 -1.040 7.646 -9.693 1.00 0.00 C ATOM 0 H LEU A 103 -2.675 10.576 -6.602 1.00 0.00 H new ATOM 0 HA LEU A 103 -2.368 11.411 -9.286 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.993 8.801 -7.918 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -3.276 8.919 -9.644 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.852 9.784 -9.798 1.00 0.00 H new ATOM 0 HD11 LEU A 103 0.694 8.976 -8.074 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.426 10.214 -7.458 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.692 8.499 -7.065 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.017 7.452 -9.875 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.432 6.899 -9.003 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.586 7.593 -10.635 1.00 0.00 H new ATOM 1551 N GLN A 104 -5.424 10.716 -8.254 1.00 0.00 N ATOM 1552 CA GLN A 104 -6.859 10.658 -8.523 1.00 0.00 C ATOM 1553 C GLN A 104 -7.527 11.648 -7.574 1.00 0.00 C ATOM 1554 O GLN A 104 -6.935 12.009 -6.562 1.00 0.00 O ATOM 1555 CB GLN A 104 -7.339 9.219 -8.259 1.00 0.00 C ATOM 1556 CG GLN A 104 -8.202 8.566 -9.335 1.00 0.00 C ATOM 1557 CD GLN A 104 -8.501 7.117 -8.943 1.00 0.00 C ATOM 1558 OE1 GLN A 104 -9.423 6.848 -8.183 1.00 0.00 O ATOM 1559 NE2 GLN A 104 -7.723 6.154 -9.406 1.00 0.00 N ATOM 0 H GLN A 104 -5.205 10.487 -7.285 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.104 10.917 -9.553 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.461 8.593 -8.103 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -7.902 9.216 -7.326 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -9.133 9.120 -9.455 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -7.687 8.595 -10.295 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -6.955 6.379 -10.039 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -7.890 5.186 -9.130 1.00 0.00 H new ATOM 1568 N ARG A 105 -8.760 12.077 -7.843 1.00 0.00 N ATOM 1569 CA ARG A 105 -9.444 13.067 -6.991 1.00 0.00 C ATOM 1570 C ARG A 105 -10.965 12.966 -7.121 1.00 0.00 C ATOM 1571 O ARG A 105 -11.640 13.978 -7.251 1.00 0.00 O ATOM 1572 CB ARG A 105 -8.878 14.500 -7.200 1.00 0.00 C ATOM 1573 CG ARG A 105 -8.491 14.885 -8.634 1.00 0.00 C ATOM 1574 CD ARG A 105 -9.702 14.780 -9.573 1.00 0.00 C ATOM 1575 NE ARG A 105 -9.393 15.009 -10.992 1.00 0.00 N ATOM 1576 CZ ARG A 105 -9.897 16.010 -11.718 1.00 0.00 C ATOM 1577 NH1 ARG A 105 -10.214 17.174 -11.163 1.00 0.00 N ATOM 1578 NH2 ARG A 105 -10.128 15.807 -13.007 1.00 0.00 N ATOM 0 H ARG A 105 -9.310 11.759 -8.641 1.00 0.00 H new ATOM 0 HA ARG A 105 -9.227 12.827 -5.950 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -9.620 15.214 -6.844 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -7.998 14.614 -6.568 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -8.101 15.903 -8.649 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -7.693 14.232 -8.988 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -10.145 13.790 -9.466 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -10.455 15.502 -9.257 1.00 0.00 H new ATOM 0 HE ARG A 105 -8.752 14.362 -11.451 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -10.074 17.317 -10.163 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -10.598 17.925 -11.737 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -9.921 14.900 -13.426 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -10.513 16.558 -13.581 1.00 0.00 H new ATOM 1592 N ARG A 106 -11.485 11.733 -7.085 1.00 0.00 N ATOM 1593 CA ARG A 106 -12.911 11.408 -6.976 1.00 0.00 C ATOM 1594 C ARG A 106 -13.735 12.296 -7.916 1.00 0.00 C ATOM 1595 O ARG A 106 -14.413 13.226 -7.483 1.00 0.00 O ATOM 1596 CB ARG A 106 -13.341 11.454 -5.487 1.00 0.00 C ATOM 1597 CG ARG A 106 -13.909 10.130 -4.974 1.00 0.00 C ATOM 1598 CD ARG A 106 -14.073 10.221 -3.450 1.00 0.00 C ATOM 1599 NE ARG A 106 -15.012 9.210 -2.964 1.00 0.00 N ATOM 1600 CZ ARG A 106 -15.643 9.196 -1.788 1.00 0.00 C ATOM 1601 NH1 ARG A 106 -15.266 10.018 -0.809 1.00 0.00 N ATOM 1602 NH2 ARG A 106 -16.655 8.356 -1.621 1.00 0.00 N ATOM 0 H ARG A 106 -10.898 10.900 -7.133 1.00 0.00 H new ATOM 0 HA ARG A 106 -13.104 10.389 -7.311 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -12.481 11.732 -4.877 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -14.089 12.236 -5.357 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -14.870 9.923 -5.446 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -13.243 9.307 -5.234 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -13.105 10.086 -2.967 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -14.429 11.214 -3.177 1.00 0.00 H new ATOM 0 HE ARG A 106 -15.206 8.430 -3.593 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -14.490 10.664 -0.956 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -15.753 10.001 0.087 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -16.936 7.738 -2.383 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -17.152 8.327 -0.731 1.00 0.00 H new ATOM 1616 N GLU A 107 -13.577 12.045 -9.216 1.00 0.00 N ATOM 1617 CA GLU A 107 -14.165 12.812 -10.302 1.00 0.00 C ATOM 1618 C GLU A 107 -15.691 12.662 -10.287 1.00 0.00 C ATOM 1619 O GLU A 107 -16.256 11.829 -10.990 1.00 0.00 O ATOM 1620 CB GLU A 107 -13.551 12.366 -11.643 1.00 0.00 C ATOM 1621 CG GLU A 107 -12.050 12.699 -11.749 1.00 0.00 C ATOM 1622 CD GLU A 107 -11.473 12.491 -13.157 1.00 0.00 C ATOM 1623 OE1 GLU A 107 -12.072 11.741 -13.958 1.00 0.00 O ATOM 1624 OE2 GLU A 107 -10.408 13.097 -13.433 1.00 0.00 O ATOM 0 H GLU A 107 -13.010 11.266 -9.550 1.00 0.00 H new ATOM 0 HA GLU A 107 -13.943 13.871 -10.171 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -13.690 11.291 -11.762 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -14.085 12.849 -12.461 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -11.894 13.736 -11.451 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.498 12.078 -11.044 1.00 0.00 H new ATOM 1631 N TYR A 108 -16.344 13.468 -9.457 1.00 0.00 N ATOM 1632 CA TYR A 108 -17.776 13.567 -9.259 1.00 0.00 C ATOM 1633 C TYR A 108 -18.086 15.057 -9.402 1.00 0.00 C ATOM 1634 O TYR A 108 -17.643 15.872 -8.579 1.00 0.00 O ATOM 1635 CB TYR A 108 -18.191 12.995 -7.887 1.00 0.00 C ATOM 1636 CG TYR A 108 -18.452 11.491 -7.845 1.00 0.00 C ATOM 1637 CD1 TYR A 108 -17.395 10.570 -7.695 1.00 0.00 C ATOM 1638 CD2 TYR A 108 -19.775 11.009 -7.907 1.00 0.00 C ATOM 1639 CE1 TYR A 108 -17.659 9.186 -7.603 1.00 0.00 C ATOM 1640 CE2 TYR A 108 -20.044 9.631 -7.823 1.00 0.00 C ATOM 1641 CZ TYR A 108 -18.988 8.707 -7.669 1.00 0.00 C ATOM 1642 OH TYR A 108 -19.279 7.378 -7.573 1.00 0.00 O ATOM 0 H TYR A 108 -15.838 14.121 -8.858 1.00 0.00 H new ATOM 0 HA TYR A 108 -18.342 12.979 -9.981 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -17.408 13.229 -7.165 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -19.093 13.510 -7.557 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -16.376 10.926 -7.650 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -20.592 11.706 -8.020 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -16.842 8.490 -7.482 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -21.063 9.278 -7.877 1.00 0.00 H new ATOM 0 HH TYR A 108 -20.248 7.250 -7.640 1.00 0.00 H new ATOM 1652 N PHE A 109 -18.742 15.414 -10.504 1.00 0.00 N ATOM 1653 CA PHE A 109 -19.471 16.659 -10.678 1.00 0.00 C ATOM 1654 C PHE A 109 -20.920 16.266 -10.453 1.00 0.00 C ATOM 1655 O PHE A 109 -21.444 15.455 -11.253 1.00 0.00 O ATOM 1656 CB PHE A 109 -19.271 17.251 -12.085 1.00 0.00 C ATOM 1657 CG PHE A 109 -17.871 17.762 -12.386 1.00 0.00 C ATOM 1658 CD1 PHE A 109 -17.434 18.985 -11.844 1.00 0.00 C ATOM 1659 CD2 PHE A 109 -17.006 17.044 -13.232 1.00 0.00 C ATOM 1660 CE1 PHE A 109 -16.128 19.452 -12.080 1.00 0.00 C ATOM 1661 CE2 PHE A 109 -15.721 17.537 -13.516 1.00 0.00 C ATOM 1662 CZ PHE A 109 -15.269 18.726 -12.919 1.00 0.00 C ATOM 0 H PHE A 109 -18.779 14.817 -11.330 1.00 0.00 H new ATOM 0 HA PHE A 109 -19.128 17.434 -9.993 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -19.527 16.489 -12.821 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -19.975 18.072 -12.218 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -18.109 19.572 -11.240 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -17.331 16.110 -13.665 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -15.788 20.366 -11.617 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -15.078 16.999 -14.197 1.00 0.00 H new ATOM 0 HZ PHE A 109 -14.266 19.079 -13.105 1.00 0.00 H new TER 1672 PHE A 109