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= -1.18! K(o=-1.2!,f=-0.073) USER MOD Set 1.2: A 69 SER OG : rot 180:sc=-0.000329 USER MOD Single : A 1 GLY N :NH3+ -151:sc= 1.18 (180deg=0.56) 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 1:sc= 1.29 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.327 K(o=-0.33,f=-3.1!) USER MOD Single : A 17 GLN : amide:sc= -0.789! K(o=-0.79!,f=-0.048) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -80:sc= 1.22 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.133 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 166:sc= 1.06 USER MOD Single : A 39 SER OG : rot 9:sc= 0.516 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -130:sc= 0.193 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 59 THR OG1 : rot 74:sc= 1.31 USER MOD Single : A 61 SER OG : rot 63:sc= 1.11 USER MOD Single : A 67 SER OG : rot 180:sc= -0.662 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0957 USER MOD Single : A 77 CYS SG : rot -29:sc= -2.13! USER MOD Single : A 79 CYS SG : rot 180:sc= -0.0203 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0749 USER MOD Single : A 91 GLN : amide:sc= 0.814 K(o=0.81,f=0) USER MOD Single : A 104 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.18) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.942 22.491 -4.169 1.00 0.00 N ATOM 2 CA GLY A 1 9.289 21.925 -4.298 1.00 0.00 C ATOM 3 C GLY A 1 9.947 21.905 -2.939 1.00 0.00 C ATOM 4 O GLY A 1 10.642 22.854 -2.589 1.00 0.00 O ATOM 0 H1 GLY A 1 7.324 22.088 -4.902 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.558 22.263 -3.230 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.987 23.524 -4.284 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.236 20.915 -4.705 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.881 22.518 -4.994 1.00 0.00 H new ATOM 8 N MET A 2 9.694 20.867 -2.145 1.00 0.00 N ATOM 9 CA MET A 2 10.193 20.756 -0.785 1.00 0.00 C ATOM 10 C MET A 2 10.103 19.294 -0.383 1.00 0.00 C ATOM 11 O MET A 2 9.021 18.801 -0.062 1.00 0.00 O ATOM 12 CB MET A 2 9.474 21.719 0.182 1.00 0.00 C ATOM 13 CG MET A 2 7.952 21.601 0.332 1.00 0.00 C ATOM 14 SD MET A 2 6.921 21.729 -1.153 1.00 0.00 S ATOM 15 CE MET A 2 5.304 21.431 -0.404 1.00 0.00 C ATOM 0 H MET A 2 9.128 20.070 -2.437 1.00 0.00 H new ATOM 0 HA MET A 2 11.235 21.070 -0.732 1.00 0.00 H new ATOM 0 HB2 MET A 2 9.916 21.589 1.170 1.00 0.00 H new ATOM 0 HB3 MET A 2 9.698 22.737 -0.136 1.00 0.00 H new ATOM 0 HG2 MET A 2 7.739 20.640 0.801 1.00 0.00 H new ATOM 0 HG3 MET A 2 7.627 22.374 1.028 1.00 0.00 H new ATOM 0 HE1 MET A 2 4.533 21.472 -1.174 1.00 0.00 H new ATOM 0 HE2 MET A 2 5.296 20.447 0.066 1.00 0.00 H new ATOM 0 HE3 MET A 2 5.105 22.194 0.349 1.00 0.00 H new ATOM 25 N SER A 3 11.211 18.575 -0.522 1.00 0.00 N ATOM 26 CA SER A 3 11.360 17.169 -0.178 1.00 0.00 C ATOM 27 C SER A 3 12.819 16.786 -0.426 1.00 0.00 C ATOM 28 O SER A 3 13.452 17.402 -1.286 1.00 0.00 O ATOM 29 CB SER A 3 10.401 16.313 -1.023 1.00 0.00 C ATOM 30 OG SER A 3 10.242 16.769 -2.362 1.00 0.00 O ATOM 0 H SER A 3 12.070 18.978 -0.896 1.00 0.00 H new ATOM 0 HA SER A 3 11.108 16.993 0.868 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.767 15.287 -1.041 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.425 16.294 -0.538 1.00 0.00 H new ATOM 0 HG SER A 3 9.622 16.178 -2.838 1.00 0.00 H new ATOM 36 N ALA A 4 13.339 15.781 0.282 1.00 0.00 N ATOM 37 CA ALA A 4 14.710 15.302 0.122 1.00 0.00 C ATOM 38 C ALA A 4 14.785 13.782 0.297 1.00 0.00 C ATOM 39 O ALA A 4 15.468 13.106 -0.475 1.00 0.00 O ATOM 40 CB ALA A 4 15.613 16.004 1.145 1.00 0.00 C ATOM 0 H ALA A 4 12.811 15.272 0.991 1.00 0.00 H new ATOM 0 HA ALA A 4 15.051 15.536 -0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 4 16.637 15.650 1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 4 15.581 17.081 0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 4 15.263 15.781 2.153 1.00 0.00 H new ATOM 46 N ASP A 5 14.082 13.250 1.292 1.00 0.00 N ATOM 47 CA ASP A 5 14.087 11.856 1.729 1.00 0.00 C ATOM 48 C ASP A 5 12.667 11.295 1.550 1.00 0.00 C ATOM 49 O ASP A 5 11.729 12.031 1.221 1.00 0.00 O ATOM 50 CB ASP A 5 14.548 11.835 3.201 1.00 0.00 C ATOM 51 CG ASP A 5 15.053 10.496 3.756 1.00 0.00 C ATOM 52 OD1 ASP A 5 14.584 9.415 3.350 1.00 0.00 O ATOM 53 OD2 ASP A 5 15.880 10.534 4.696 1.00 0.00 O ATOM 0 H ASP A 5 13.450 13.820 1.854 1.00 0.00 H new ATOM 0 HA ASP A 5 14.766 11.234 1.147 1.00 0.00 H new ATOM 0 HB2 ASP A 5 15.344 12.571 3.317 1.00 0.00 H new ATOM 0 HB3 ASP A 5 13.715 12.166 3.821 1.00 0.00 H new ATOM 58 N GLY A 6 12.477 10.005 1.794 1.00 0.00 N ATOM 59 CA GLY A 6 11.194 9.343 1.879 1.00 0.00 C ATOM 60 C GLY A 6 10.743 9.316 3.336 1.00 0.00 C ATOM 61 O GLY A 6 10.988 8.339 4.043 1.00 0.00 O ATOM 0 H GLY A 6 13.257 9.365 1.945 1.00 0.00 H new ATOM 0 HA2 GLY A 6 10.459 9.867 1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 6 11.268 8.328 1.489 1.00 0.00 H new ATOM 65 N SER A 7 10.109 10.390 3.803 1.00 0.00 N ATOM 66 CA SER A 7 9.611 10.538 5.169 1.00 0.00 C ATOM 67 C SER A 7 8.172 11.086 5.149 1.00 0.00 C ATOM 68 O SER A 7 7.337 10.658 5.950 1.00 0.00 O ATOM 69 CB SER A 7 10.607 11.423 5.931 1.00 0.00 C ATOM 70 OG SER A 7 10.587 11.170 7.323 1.00 0.00 O ATOM 0 H SER A 7 9.922 11.207 3.222 1.00 0.00 H new ATOM 0 HA SER A 7 9.547 9.582 5.688 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.612 11.251 5.546 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.371 12.472 5.750 1.00 0.00 H new ATOM 0 HG SER A 7 11.236 11.752 7.771 1.00 0.00 H new ATOM 76 N GLU A 8 7.849 11.897 4.134 1.00 0.00 N ATOM 77 CA GLU A 8 6.549 12.393 3.659 1.00 0.00 C ATOM 78 C GLU A 8 5.456 11.333 3.461 1.00 0.00 C ATOM 79 O GLU A 8 4.363 11.669 3.016 1.00 0.00 O ATOM 80 CB GLU A 8 6.807 13.060 2.296 1.00 0.00 C ATOM 81 CG GLU A 8 7.315 14.499 2.410 1.00 0.00 C ATOM 82 CD GLU A 8 8.455 14.814 1.450 1.00 0.00 C ATOM 83 OE1 GLU A 8 8.375 14.391 0.273 1.00 0.00 O ATOM 84 OE2 GLU A 8 9.428 15.462 1.899 1.00 0.00 O ATOM 0 H GLU A 8 8.595 12.271 3.547 1.00 0.00 H new ATOM 0 HA GLU A 8 6.168 13.059 4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.536 12.468 1.742 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.884 13.053 1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.489 15.184 2.220 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.650 14.679 3.432 1.00 0.00 H new ATOM 91 N TYR A 9 5.711 10.065 3.747 1.00 0.00 N ATOM 92 CA TYR A 9 4.709 9.024 3.652 1.00 0.00 C ATOM 93 C TYR A 9 3.702 9.154 4.801 1.00 0.00 C ATOM 94 O TYR A 9 2.499 9.176 4.554 1.00 0.00 O ATOM 95 CB TYR A 9 5.432 7.675 3.652 1.00 0.00 C ATOM 96 CG TYR A 9 6.515 7.543 2.588 1.00 0.00 C ATOM 97 CD1 TYR A 9 6.221 7.760 1.229 1.00 0.00 C ATOM 98 CD2 TYR A 9 7.832 7.234 2.960 1.00 0.00 C ATOM 99 CE1 TYR A 9 7.223 7.675 0.240 1.00 0.00 C ATOM 100 CE2 TYR A 9 8.828 7.109 1.983 1.00 0.00 C ATOM 101 CZ TYR A 9 8.540 7.334 0.620 1.00 0.00 C ATOM 102 OH TYR A 9 9.545 7.245 -0.294 1.00 0.00 O ATOM 0 H TYR A 9 6.625 9.732 4.053 1.00 0.00 H new ATOM 0 HA TYR A 9 4.135 9.112 2.730 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.881 7.517 4.632 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.698 6.883 3.506 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.208 7.996 0.938 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.078 7.092 4.002 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.986 7.868 -0.796 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.831 6.836 2.277 1.00 0.00 H new ATOM 0 HH TYR A 9 9.197 7.460 -1.185 1.00 0.00 H new ATOM 112 N GLY A 10 4.168 9.271 6.049 1.00 0.00 N ATOM 113 CA GLY A 10 3.332 9.072 7.231 1.00 0.00 C ATOM 114 C GLY A 10 2.327 10.194 7.444 1.00 0.00 C ATOM 115 O GLY A 10 1.272 10.009 8.040 1.00 0.00 O ATOM 0 H GLY A 10 5.137 9.507 6.265 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.798 8.126 7.137 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.970 8.991 8.111 1.00 0.00 H new ATOM 119 N ARG A 11 2.636 11.372 6.903 1.00 0.00 N ATOM 120 CA ARG A 11 1.717 12.498 6.885 1.00 0.00 C ATOM 121 C ARG A 11 0.437 12.198 6.099 1.00 0.00 C ATOM 122 O ARG A 11 -0.545 12.911 6.282 1.00 0.00 O ATOM 123 CB ARG A 11 2.421 13.750 6.349 1.00 0.00 C ATOM 124 CG ARG A 11 3.147 13.501 5.032 1.00 0.00 C ATOM 125 CD ARG A 11 3.534 14.800 4.341 1.00 0.00 C ATOM 126 NE ARG A 11 4.634 15.492 5.025 1.00 0.00 N ATOM 127 CZ ARG A 11 5.392 16.426 4.447 1.00 0.00 C ATOM 128 NH1 ARG A 11 5.096 16.863 3.225 1.00 0.00 N ATOM 129 NH2 ARG A 11 6.452 16.889 5.090 1.00 0.00 N ATOM 0 H ARG A 11 3.536 11.568 6.464 1.00 0.00 H new ATOM 0 HA ARG A 11 1.408 12.684 7.913 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.686 14.543 6.209 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.136 14.105 7.091 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.043 12.908 5.218 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.509 12.915 4.371 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.826 14.588 3.312 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.666 15.458 4.297 1.00 0.00 H new ATOM 0 HE ARG A 11 4.829 15.245 5.995 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.289 16.484 2.729 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.676 17.577 2.784 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.682 16.532 6.017 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.039 17.603 4.658 1.00 0.00 H new ATOM 143 N TYR A 12 0.455 11.212 5.198 1.00 0.00 N ATOM 144 CA TYR A 12 -0.668 10.826 4.362 1.00 0.00 C ATOM 145 C TYR A 12 -1.173 9.430 4.714 1.00 0.00 C ATOM 146 O TYR A 12 -2.382 9.214 4.706 1.00 0.00 O ATOM 147 CB TYR A 12 -0.237 10.860 2.893 1.00 0.00 C ATOM 148 CG TYR A 12 0.522 12.096 2.428 1.00 0.00 C ATOM 149 CD1 TYR A 12 0.223 13.366 2.951 1.00 0.00 C ATOM 150 CD2 TYR A 12 1.536 11.975 1.462 1.00 0.00 C ATOM 151 CE1 TYR A 12 0.841 14.518 2.443 1.00 0.00 C ATOM 152 CE2 TYR A 12 2.180 13.118 0.951 1.00 0.00 C ATOM 153 CZ TYR A 12 1.816 14.401 1.427 1.00 0.00 C ATOM 154 OH TYR A 12 2.411 15.521 0.927 1.00 0.00 O ATOM 0 H TYR A 12 1.286 10.644 5.030 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.482 11.531 4.534 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.386 9.987 2.702 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.129 10.757 2.275 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.492 13.456 3.755 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.824 10.996 1.108 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.573 15.491 2.827 1.00 0.00 H new ATOM 0 HE2 TYR A 12 2.949 13.017 0.199 1.00 0.00 H new ATOM 0 HH TYR A 12 3.058 15.267 0.236 1.00 0.00 H new ATOM 164 N PHE A 13 -0.270 8.486 4.982 1.00 0.00 N ATOM 165 CA PHE A 13 -0.569 7.107 5.348 1.00 0.00 C ATOM 166 C PHE A 13 -0.381 6.952 6.845 1.00 0.00 C ATOM 167 O PHE A 13 0.742 6.998 7.338 1.00 0.00 O ATOM 168 CB PHE A 13 0.365 6.126 4.642 1.00 0.00 C ATOM 169 CG PHE A 13 0.252 6.140 3.139 1.00 0.00 C ATOM 170 CD1 PHE A 13 -0.736 5.362 2.516 1.00 0.00 C ATOM 171 CD2 PHE A 13 1.103 6.947 2.364 1.00 0.00 C ATOM 172 CE1 PHE A 13 -0.896 5.421 1.125 1.00 0.00 C ATOM 173 CE2 PHE A 13 0.933 7.014 0.974 1.00 0.00 C ATOM 174 CZ PHE A 13 -0.086 6.274 0.358 1.00 0.00 C ATOM 0 H PHE A 13 0.732 8.673 4.948 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.594 6.887 5.050 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.393 6.356 4.920 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.155 5.119 5.002 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.372 4.719 3.107 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.888 7.516 2.840 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.644 4.809 0.642 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.586 7.635 0.379 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.248 6.360 -0.706 1.00 0.00 H new ATOM 184 N GLU A 14 -1.480 6.734 7.547 1.00 0.00 N ATOM 185 CA GLU A 14 -1.438 6.476 8.977 1.00 0.00 C ATOM 186 C GLU A 14 -1.238 4.984 9.231 1.00 0.00 C ATOM 187 O GLU A 14 -1.675 4.139 8.451 1.00 0.00 O ATOM 188 CB GLU A 14 -2.732 6.981 9.630 1.00 0.00 C ATOM 189 CG GLU A 14 -2.683 6.977 11.162 1.00 0.00 C ATOM 190 CD GLU A 14 -3.970 7.524 11.762 1.00 0.00 C ATOM 191 OE1 GLU A 14 -4.113 8.763 11.831 1.00 0.00 O ATOM 192 OE2 GLU A 14 -4.821 6.704 12.173 1.00 0.00 O ATOM 0 H GLU A 14 -2.418 6.731 7.147 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.598 7.010 9.421 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.934 7.994 9.283 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.564 6.359 9.299 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.517 5.961 11.519 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.838 7.576 11.502 1.00 0.00 H new ATOM 199 N GLN A 15 -0.726 4.687 10.420 1.00 0.00 N ATOM 200 CA GLN A 15 -0.705 3.397 11.105 1.00 0.00 C ATOM 201 C GLN A 15 -2.034 2.653 11.059 1.00 0.00 C ATOM 202 O GLN A 15 -2.048 1.436 11.223 1.00 0.00 O ATOM 203 CB GLN A 15 -0.429 3.691 12.593 1.00 0.00 C ATOM 204 CG GLN A 15 0.031 2.489 13.440 1.00 0.00 C ATOM 205 CD GLN A 15 1.396 2.671 14.096 1.00 0.00 C ATOM 206 OE1 GLN A 15 2.314 3.239 13.505 1.00 0.00 O ATOM 207 NE2 GLN A 15 1.567 2.167 15.306 1.00 0.00 N ATOM 0 H GLN A 15 -0.273 5.408 10.981 1.00 0.00 H new ATOM 0 HA GLN A 15 0.044 2.777 10.612 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.333 4.468 12.655 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.337 4.099 13.038 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.710 2.301 14.217 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.060 1.603 12.806 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.793 1.700 15.778 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.473 2.245 15.768 1.00 0.00 H new ATOM 216 N LEU A 16 -3.139 3.380 10.944 1.00 0.00 N ATOM 217 CA LEU A 16 -4.490 2.864 11.017 1.00 0.00 C ATOM 218 C LEU A 16 -5.308 3.472 9.869 1.00 0.00 C ATOM 219 O LEU A 16 -6.451 3.902 10.043 1.00 0.00 O ATOM 220 CB LEU A 16 -5.137 3.137 12.386 1.00 0.00 C ATOM 221 CG LEU A 16 -4.727 2.107 13.443 1.00 0.00 C ATOM 222 CD1 LEU A 16 -3.466 2.480 14.183 1.00 0.00 C ATOM 223 CD2 LEU A 16 -5.875 1.867 14.415 1.00 0.00 C ATOM 0 H LEU A 16 -3.111 4.388 10.791 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.466 1.780 10.910 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.855 4.134 12.726 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.222 3.132 12.279 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.502 1.183 12.911 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.233 1.708 14.916 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.642 2.569 13.475 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.611 3.432 14.693 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.572 1.133 15.162 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.134 2.803 14.910 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.741 1.493 13.870 1.00 0.00 H new ATOM 235 N GLN A 17 -4.702 3.568 8.692 1.00 0.00 N ATOM 236 CA GLN A 17 -5.387 3.803 7.430 1.00 0.00 C ATOM 237 C GLN A 17 -5.256 2.563 6.558 1.00 0.00 C ATOM 238 O GLN A 17 -4.337 1.778 6.741 1.00 0.00 O ATOM 239 CB GLN A 17 -4.760 5.024 6.757 1.00 0.00 C ATOM 240 CG GLN A 17 -5.711 6.225 6.851 1.00 0.00 C ATOM 241 CD GLN A 17 -4.986 7.515 6.505 1.00 0.00 C ATOM 242 OE1 GLN A 17 -4.761 8.376 7.355 1.00 0.00 O ATOM 243 NE2 GLN A 17 -4.570 7.660 5.262 1.00 0.00 N ATOM 0 H GLN A 17 -3.691 3.482 8.588 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.447 3.998 7.590 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.810 5.264 7.235 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.544 4.802 5.712 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.553 6.082 6.173 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.121 6.292 7.859 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.766 6.936 4.571 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.052 8.496 4.992 1.00 0.00 H new ATOM 252 N LYS A 18 -6.119 2.390 5.558 1.00 0.00 N ATOM 253 CA LYS A 18 -6.110 1.211 4.700 1.00 0.00 C ATOM 254 C LYS A 18 -5.654 1.581 3.293 1.00 0.00 C ATOM 255 O LYS A 18 -5.906 2.704 2.860 1.00 0.00 O ATOM 256 CB LYS A 18 -7.471 0.533 4.846 1.00 0.00 C ATOM 257 CG LYS A 18 -8.626 1.042 4.001 1.00 0.00 C ATOM 258 CD LYS A 18 -9.766 1.644 4.823 1.00 0.00 C ATOM 259 CE LYS A 18 -11.053 1.588 3.993 1.00 0.00 C ATOM 260 NZ LYS A 18 -12.120 2.380 4.621 1.00 0.00 N ATOM 0 H LYS A 18 -6.845 3.066 5.321 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.374 0.463 4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.340 -0.526 4.625 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.768 0.606 5.892 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.253 1.795 3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.016 0.220 3.401 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.893 1.092 5.754 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.534 2.675 5.092 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.859 1.965 2.989 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.377 0.553 3.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.981 2.326 4.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.319 2.004 5.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.816 3.372 4.698 1.00 0.00 H new ATOM 274 N VAL A 19 -4.982 0.678 2.583 1.00 0.00 N ATOM 275 CA VAL A 19 -4.398 0.932 1.266 1.00 0.00 C ATOM 276 C VAL A 19 -4.905 -0.139 0.285 1.00 0.00 C ATOM 277 O VAL A 19 -5.256 -1.252 0.697 1.00 0.00 O ATOM 278 CB VAL A 19 -2.867 1.020 1.356 1.00 0.00 C ATOM 279 CG1 VAL A 19 -2.443 2.234 2.209 1.00 0.00 C ATOM 280 CG2 VAL A 19 -2.138 -0.232 1.853 1.00 0.00 C ATOM 0 H VAL A 19 -4.824 -0.274 2.914 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.717 1.901 0.883 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.555 1.132 0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.355 2.280 2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.823 3.149 1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.851 2.132 3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.064 -0.044 1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.481 -0.478 2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.349 -1.066 1.183 1.00 0.00 H new ATOM 290 N ASN A 20 -4.916 0.182 -1.016 1.00 0.00 N ATOM 291 CA ASN A 20 -5.002 -0.814 -2.089 1.00 0.00 C ATOM 292 C ASN A 20 -3.833 -1.790 -2.018 1.00 0.00 C ATOM 293 O ASN A 20 -2.777 -1.475 -1.465 1.00 0.00 O ATOM 294 CB ASN A 20 -4.951 -0.151 -3.485 1.00 0.00 C ATOM 295 CG ASN A 20 -6.244 -0.064 -4.272 1.00 0.00 C ATOM 296 OD1 ASN A 20 -6.218 0.490 -5.370 1.00 0.00 O ATOM 297 ND2 ASN A 20 -7.381 -0.539 -3.792 1.00 0.00 N ATOM 0 H ASN A 20 -4.865 1.143 -1.353 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.951 -1.331 -1.951 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.565 0.861 -3.362 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.227 -0.697 -4.089 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.241 -0.447 -4.333 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.398 -0.998 -2.881 1.00 0.00 H new ATOM 304 N LEU A 21 -4.026 -2.931 -2.675 1.00 0.00 N ATOM 305 CA LEU A 21 -3.162 -4.097 -2.697 1.00 0.00 C ATOM 306 C LEU A 21 -3.132 -4.648 -4.130 1.00 0.00 C ATOM 307 O LEU A 21 -3.312 -5.852 -4.306 1.00 0.00 O ATOM 308 CB LEU A 21 -3.732 -5.179 -1.754 1.00 0.00 C ATOM 309 CG LEU A 21 -3.983 -4.802 -0.291 1.00 0.00 C ATOM 310 CD1 LEU A 21 -4.547 -6.046 0.402 1.00 0.00 C ATOM 311 CD2 LEU A 21 -2.704 -4.375 0.440 1.00 0.00 C ATOM 0 H LEU A 21 -4.857 -3.070 -3.249 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.158 -3.825 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.676 -5.525 -2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.047 -6.027 -1.767 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.667 -3.954 -0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.741 -5.822 1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.476 -6.343 -0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.825 -6.860 0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.943 -4.119 1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.986 -5.195 0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.273 -3.507 -0.058 1.00 0.00 H new ATOM 323 N THR A 22 -2.996 -3.818 -5.173 1.00 0.00 N ATOM 324 CA THR A 22 -3.004 -4.357 -6.532 1.00 0.00 C ATOM 325 C THR A 22 -1.720 -5.166 -6.663 1.00 0.00 C ATOM 326 O THR A 22 -0.644 -4.582 -6.546 1.00 0.00 O ATOM 327 CB THR A 22 -3.069 -3.226 -7.564 1.00 0.00 C ATOM 328 OG1 THR A 22 -4.095 -2.312 -7.224 1.00 0.00 O ATOM 329 CG2 THR A 22 -3.254 -3.721 -9.000 1.00 0.00 C ATOM 0 H THR A 22 -2.883 -2.807 -5.105 1.00 0.00 H new ATOM 0 HA THR A 22 -3.878 -4.981 -6.717 1.00 0.00 H new ATOM 0 HB THR A 22 -2.101 -2.725 -7.534 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.961 -2.671 -7.509 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.292 -2.868 -9.677 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.418 -4.365 -9.274 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.184 -4.284 -9.074 1.00 0.00 H new ATOM 337 N VAL A 23 -1.811 -6.488 -6.830 1.00 0.00 N ATOM 338 CA VAL A 23 -0.600 -7.318 -6.917 1.00 0.00 C ATOM 339 C VAL A 23 -0.439 -7.735 -8.358 1.00 0.00 C ATOM 340 O VAL A 23 -1.151 -8.632 -8.790 1.00 0.00 O ATOM 341 CB VAL A 23 -0.591 -8.555 -5.989 1.00 0.00 C ATOM 342 CG1 VAL A 23 0.771 -9.264 -6.076 1.00 0.00 C ATOM 343 CG2 VAL A 23 -0.812 -8.218 -4.520 1.00 0.00 C ATOM 0 H VAL A 23 -2.689 -7.001 -6.907 1.00 0.00 H new ATOM 0 HA VAL A 23 0.238 -6.715 -6.568 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.413 -9.182 -6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.771 -10.134 -5.420 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.950 -9.583 -7.103 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.559 -8.577 -5.767 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.793 -9.134 -3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.022 -7.549 -4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.779 -7.729 -4.400 1.00 0.00 H new ATOM 353 N ARG A 24 0.499 -7.132 -9.092 1.00 0.00 N ATOM 354 CA ARG A 24 0.946 -7.656 -10.381 1.00 0.00 C ATOM 355 C ARG A 24 1.288 -9.134 -10.218 1.00 0.00 C ATOM 356 O ARG A 24 2.265 -9.437 -9.530 1.00 0.00 O ATOM 357 CB ARG A 24 2.129 -6.810 -10.888 1.00 0.00 C ATOM 358 CG ARG A 24 3.094 -7.499 -11.863 1.00 0.00 C ATOM 359 CD ARG A 24 4.192 -6.533 -12.300 1.00 0.00 C ATOM 360 NE ARG A 24 3.708 -5.564 -13.292 1.00 0.00 N ATOM 361 CZ ARG A 24 4.441 -4.581 -13.817 1.00 0.00 C ATOM 362 NH1 ARG A 24 5.586 -4.226 -13.247 1.00 0.00 N ATOM 363 NH2 ARG A 24 4.046 -3.963 -14.920 1.00 0.00 N ATOM 0 H ARG A 24 0.967 -6.271 -8.810 1.00 0.00 H new ATOM 0 HA ARG A 24 0.162 -7.586 -11.135 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.729 -5.921 -11.375 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.701 -6.470 -10.024 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.539 -8.373 -11.387 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.546 -7.855 -12.735 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.574 -6.000 -11.429 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.025 -7.097 -12.720 1.00 0.00 H new ATOM 0 HE ARG A 24 2.740 -5.649 -13.602 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.907 -4.705 -12.406 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.145 -3.474 -13.650 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.175 -4.238 -15.375 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.613 -3.212 -15.315 1.00 0.00 H new ATOM 377 N LEU A 25 0.548 -10.042 -10.863 1.00 0.00 N ATOM 378 CA LEU A 25 0.956 -11.437 -10.981 1.00 0.00 C ATOM 379 C LEU A 25 1.391 -11.564 -12.423 1.00 0.00 C ATOM 380 O LEU A 25 0.592 -11.888 -13.305 1.00 0.00 O ATOM 381 CB LEU A 25 -0.140 -12.441 -10.572 1.00 0.00 C ATOM 382 CG LEU A 25 -0.662 -12.275 -9.131 1.00 0.00 C ATOM 383 CD1 LEU A 25 -1.763 -13.302 -8.857 1.00 0.00 C ATOM 384 CD2 LEU A 25 0.462 -12.422 -8.108 1.00 0.00 C ATOM 0 H LEU A 25 -0.342 -9.829 -11.313 1.00 0.00 H new ATOM 0 HA LEU A 25 1.758 -11.690 -10.288 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.979 -12.343 -11.261 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.251 -13.452 -10.688 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.070 -11.269 -9.032 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.128 -13.180 -7.837 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.584 -13.150 -9.557 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.361 -14.308 -8.981 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.058 -12.299 -7.103 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.911 -13.411 -8.200 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.221 -11.661 -8.289 1.00 0.00 H new ATOM 396 N GLY A 26 2.616 -11.110 -12.684 1.00 0.00 N ATOM 397 CA GLY A 26 3.250 -11.186 -13.995 1.00 0.00 C ATOM 398 C GLY A 26 2.692 -10.176 -14.996 1.00 0.00 C ATOM 399 O GLY A 26 3.237 -10.056 -16.091 1.00 0.00 O ATOM 0 H GLY A 26 3.205 -10.671 -11.976 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.322 -11.021 -13.883 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.122 -12.192 -14.395 1.00 0.00 H new ATOM 403 N ASP A 27 1.637 -9.446 -14.605 1.00 0.00 N ATOM 404 CA ASP A 27 0.801 -8.505 -15.362 1.00 0.00 C ATOM 405 C ASP A 27 -0.168 -9.223 -16.306 1.00 0.00 C ATOM 406 O ASP A 27 -1.024 -8.585 -16.913 1.00 0.00 O ATOM 407 CB ASP A 27 1.639 -7.433 -16.088 1.00 0.00 C ATOM 408 CG ASP A 27 1.450 -6.013 -15.568 1.00 0.00 C ATOM 409 OD1 ASP A 27 1.126 -5.802 -14.381 1.00 0.00 O ATOM 410 OD2 ASP A 27 1.899 -5.084 -16.269 1.00 0.00 O ATOM 0 H ASP A 27 1.313 -9.509 -13.640 1.00 0.00 H new ATOM 0 HA ASP A 27 0.188 -7.976 -14.632 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.693 -7.698 -16.005 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.388 -7.453 -17.149 1.00 0.00 H new ATOM 415 N THR A 28 -0.082 -10.551 -16.407 1.00 0.00 N ATOM 416 CA THR A 28 -1.041 -11.373 -17.131 1.00 0.00 C ATOM 417 C THR A 28 -2.234 -11.740 -16.231 1.00 0.00 C ATOM 418 O THR A 28 -3.330 -11.965 -16.743 1.00 0.00 O ATOM 419 CB THR A 28 -0.295 -12.585 -17.728 1.00 0.00 C ATOM 420 OG1 THR A 28 -1.145 -13.372 -18.530 1.00 0.00 O ATOM 421 CG2 THR A 28 0.378 -13.492 -16.688 1.00 0.00 C ATOM 0 H THR A 28 0.671 -11.090 -15.979 1.00 0.00 H new ATOM 0 HA THR A 28 -1.480 -10.823 -17.963 1.00 0.00 H new ATOM 0 HB THR A 28 0.496 -12.141 -18.332 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.642 -14.130 -18.894 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.878 -14.317 -17.194 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.110 -12.916 -16.122 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.376 -13.888 -16.008 1.00 0.00 H new ATOM 429 N GLY A 29 -2.052 -11.765 -14.906 1.00 0.00 N ATOM 430 CA GLY A 29 -3.076 -12.164 -13.950 1.00 0.00 C ATOM 431 C GLY A 29 -3.534 -10.990 -13.107 1.00 0.00 C ATOM 432 O GLY A 29 -4.612 -10.424 -13.289 1.00 0.00 O ATOM 0 H GLY A 29 -1.170 -11.502 -14.466 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.928 -12.586 -14.483 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.685 -12.948 -13.302 1.00 0.00 H new ATOM 436 N SER A 30 -2.646 -10.654 -12.183 1.00 0.00 N ATOM 437 CA SER A 30 -2.802 -9.785 -11.029 1.00 0.00 C ATOM 438 C SER A 30 -3.925 -10.184 -10.067 1.00 0.00 C ATOM 439 O SER A 30 -4.709 -11.101 -10.324 1.00 0.00 O ATOM 440 CB SER A 30 -2.739 -8.294 -11.405 1.00 0.00 C ATOM 441 OG SER A 30 -1.812 -8.129 -12.474 1.00 0.00 O ATOM 0 H SER A 30 -1.697 -11.024 -12.230 1.00 0.00 H new ATOM 0 HA SER A 30 -1.920 -9.951 -10.410 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.725 -7.938 -11.702 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.432 -7.700 -10.544 1.00 0.00 H new ATOM 0 HG SER A 30 -1.765 -7.182 -12.723 1.00 0.00 H new ATOM 447 N PHE A 31 -3.905 -9.571 -8.890 1.00 0.00 N ATOM 448 CA PHE A 31 -4.871 -9.702 -7.817 1.00 0.00 C ATOM 449 C PHE A 31 -5.105 -8.289 -7.289 1.00 0.00 C ATOM 450 O PHE A 31 -4.319 -7.382 -7.567 1.00 0.00 O ATOM 451 CB PHE A 31 -4.293 -10.644 -6.744 1.00 0.00 C ATOM 452 CG PHE A 31 -5.093 -10.734 -5.455 1.00 0.00 C ATOM 453 CD1 PHE A 31 -6.266 -11.509 -5.402 1.00 0.00 C ATOM 454 CD2 PHE A 31 -4.694 -9.992 -4.324 1.00 0.00 C ATOM 455 CE1 PHE A 31 -7.040 -11.534 -4.227 1.00 0.00 C ATOM 456 CE2 PHE A 31 -5.471 -10.016 -3.153 1.00 0.00 C ATOM 457 CZ PHE A 31 -6.645 -10.786 -3.105 1.00 0.00 C ATOM 0 H PHE A 31 -3.156 -8.922 -8.647 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.819 -10.133 -8.140 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.209 -11.644 -7.170 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.282 -10.315 -6.502 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.572 -12.085 -6.263 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.789 -9.404 -4.358 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.940 -12.130 -4.188 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.166 -9.443 -2.290 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.244 -10.803 -2.206 1.00 0.00 H new ATOM 467 N ASP A 32 -6.140 -8.090 -6.487 1.00 0.00 N ATOM 468 CA ASP A 32 -6.363 -6.881 -5.735 1.00 0.00 C ATOM 469 C ASP A 32 -7.173 -7.275 -4.499 1.00 0.00 C ATOM 470 O ASP A 32 -7.968 -8.222 -4.548 1.00 0.00 O ATOM 471 CB ASP A 32 -7.209 -5.878 -6.518 1.00 0.00 C ATOM 472 CG ASP A 32 -6.564 -5.036 -7.613 1.00 0.00 C ATOM 473 OD1 ASP A 32 -6.554 -5.454 -8.793 1.00 0.00 O ATOM 474 OD2 ASP A 32 -6.256 -3.855 -7.305 1.00 0.00 O ATOM 0 H ASP A 32 -6.866 -8.792 -6.342 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.401 -6.425 -5.501 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.030 -6.431 -6.974 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.650 -5.191 -5.796 1.00 0.00 H new ATOM 479 N GLY A 33 -7.063 -6.479 -3.437 1.00 0.00 N ATOM 480 CA GLY A 33 -7.869 -6.586 -2.229 1.00 0.00 C ATOM 481 C GLY A 33 -7.788 -5.292 -1.442 1.00 0.00 C ATOM 482 O GLY A 33 -7.435 -4.247 -2.000 1.00 0.00 O ATOM 0 H GLY A 33 -6.386 -5.717 -3.396 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.906 -6.799 -2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.517 -7.417 -1.618 1.00 0.00 H new ATOM 486 N THR A 34 -8.132 -5.348 -0.159 1.00 0.00 N ATOM 487 CA THR A 34 -7.888 -4.250 0.763 1.00 0.00 C ATOM 488 C THR A 34 -7.282 -4.831 2.042 1.00 0.00 C ATOM 489 O THR A 34 -7.557 -5.973 2.416 1.00 0.00 O ATOM 490 CB THR A 34 -9.195 -3.470 1.031 1.00 0.00 C ATOM 491 OG1 THR A 34 -9.958 -3.249 -0.144 1.00 0.00 O ATOM 492 CG2 THR A 34 -8.879 -2.076 1.572 1.00 0.00 C ATOM 0 H THR A 34 -8.587 -6.155 0.268 1.00 0.00 H new ATOM 0 HA THR A 34 -7.186 -3.534 0.336 1.00 0.00 H new ATOM 0 HB THR A 34 -9.755 -4.083 1.737 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.773 -2.754 0.083 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.809 -1.538 1.756 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.321 -2.165 2.504 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.282 -1.529 0.842 1.00 0.00 H new ATOM 500 N ALA A 35 -6.476 -4.044 2.752 1.00 0.00 N ATOM 501 CA ALA A 35 -6.040 -4.340 4.102 1.00 0.00 C ATOM 502 C ALA A 35 -5.978 -3.014 4.813 1.00 0.00 C ATOM 503 O ALA A 35 -5.691 -2.002 4.172 1.00 0.00 O ATOM 504 CB ALA A 35 -4.641 -4.954 4.103 1.00 0.00 C ATOM 0 H ALA A 35 -6.104 -3.166 2.391 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.720 -5.047 4.577 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.338 -5.167 5.128 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.650 -5.880 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.936 -4.254 3.654 1.00 0.00 H new ATOM 510 N ALA A 36 -6.186 -3.014 6.117 1.00 0.00 N ATOM 511 CA ALA A 36 -5.897 -1.892 6.987 1.00 0.00 C ATOM 512 C ALA A 36 -4.425 -1.984 7.414 1.00 0.00 C ATOM 513 O ALA A 36 -3.877 -3.087 7.494 1.00 0.00 O ATOM 514 CB ALA A 36 -6.893 -1.986 8.147 1.00 0.00 C ATOM 0 H ALA A 36 -6.572 -3.818 6.613 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.016 -0.917 6.514 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.723 -1.162 8.840 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.910 -1.930 7.759 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.755 -2.933 8.669 1.00 0.00 H new ATOM 520 N ILE A 37 -3.746 -0.845 7.586 1.00 0.00 N ATOM 521 CA ILE A 37 -2.436 -0.769 8.219 1.00 0.00 C ATOM 522 C ILE A 37 -2.651 -1.070 9.710 1.00 0.00 C ATOM 523 O ILE A 37 -3.741 -0.883 10.271 1.00 0.00 O ATOM 524 CB ILE A 37 -1.749 0.607 7.936 1.00 0.00 C ATOM 525 CG1 ILE A 37 -1.542 0.804 6.410 1.00 0.00 C ATOM 526 CG2 ILE A 37 -0.356 0.771 8.584 1.00 0.00 C ATOM 527 CD1 ILE A 37 -1.132 2.205 5.937 1.00 0.00 C ATOM 0 H ILE A 37 -4.102 0.062 7.283 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.741 -1.501 7.808 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.426 1.342 8.371 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.781 0.098 6.078 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.469 0.534 5.905 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.047 1.753 8.337 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.445 0.677 9.666 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.314 -0.002 8.207 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.021 2.205 4.853 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.899 2.925 6.223 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.184 2.482 6.399 1.00 0.00 H new ATOM 539 N THR A 38 -1.582 -1.525 10.346 1.00 0.00 N ATOM 540 CA THR A 38 -1.487 -1.875 11.749 1.00 0.00 C ATOM 541 C THR A 38 -0.242 -1.275 12.401 1.00 0.00 C ATOM 542 O THR A 38 -0.218 -1.107 13.623 1.00 0.00 O ATOM 543 CB THR A 38 -1.530 -3.407 11.894 1.00 0.00 C ATOM 544 OG1 THR A 38 -0.501 -4.046 11.162 1.00 0.00 O ATOM 545 CG2 THR A 38 -2.888 -3.953 11.437 1.00 0.00 C ATOM 0 H THR A 38 -0.698 -1.668 9.858 1.00 0.00 H new ATOM 0 HA THR A 38 -2.339 -1.448 12.278 1.00 0.00 H new ATOM 0 HB THR A 38 -1.378 -3.625 12.951 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.424 -4.979 11.453 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.900 -5.037 11.547 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.679 -3.518 12.048 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.052 -3.692 10.391 1.00 0.00 H new ATOM 553 N SER A 39 0.797 -0.942 11.629 1.00 0.00 N ATOM 554 CA SER A 39 2.019 -0.297 12.087 1.00 0.00 C ATOM 555 C SER A 39 2.663 0.408 10.895 1.00 0.00 C ATOM 556 O SER A 39 2.806 -0.199 9.830 1.00 0.00 O ATOM 557 CB SER A 39 2.955 -1.355 12.664 1.00 0.00 C ATOM 558 OG SER A 39 2.418 -1.875 13.867 1.00 0.00 O ATOM 0 H SER A 39 0.804 -1.125 10.626 1.00 0.00 H new ATOM 0 HA SER A 39 1.807 0.436 12.865 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.097 -2.159 11.942 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.936 -0.920 12.853 1.00 0.00 H new ATOM 0 HG SER A 39 1.502 -1.548 13.985 1.00 0.00 H new ATOM 564 N LEU A 40 3.079 1.664 11.051 1.00 0.00 N ATOM 565 CA LEU A 40 3.702 2.464 9.999 1.00 0.00 C ATOM 566 C LEU A 40 5.023 3.007 10.520 1.00 0.00 C ATOM 567 O LEU A 40 5.165 3.280 11.711 1.00 0.00 O ATOM 568 CB LEU A 40 2.712 3.553 9.576 1.00 0.00 C ATOM 569 CG LEU A 40 3.209 4.707 8.688 1.00 0.00 C ATOM 570 CD1 LEU A 40 4.013 5.785 9.426 1.00 0.00 C ATOM 571 CD2 LEU A 40 3.846 4.322 7.349 1.00 0.00 C ATOM 0 H LEU A 40 2.990 2.165 11.935 1.00 0.00 H new ATOM 0 HA LEU A 40 3.932 1.876 9.111 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.890 3.065 9.052 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.297 3.991 10.484 1.00 0.00 H new ATOM 0 HG LEU A 40 2.262 5.166 8.405 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.321 6.556 8.720 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.394 6.231 10.204 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.896 5.334 9.879 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.154 5.224 6.820 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.717 3.692 7.528 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.121 3.776 6.745 1.00 0.00 H new ATOM 583 N LYS A 41 6.001 3.142 9.629 1.00 0.00 N ATOM 584 CA LYS A 41 7.350 3.616 9.951 1.00 0.00 C ATOM 585 C LYS A 41 8.098 4.086 8.698 1.00 0.00 C ATOM 586 O LYS A 41 8.877 3.331 8.109 1.00 0.00 O ATOM 587 CB LYS A 41 8.139 2.505 10.670 1.00 0.00 C ATOM 588 CG LYS A 41 9.511 3.013 11.147 1.00 0.00 C ATOM 589 CD LYS A 41 10.483 1.872 11.438 1.00 0.00 C ATOM 590 CE LYS A 41 10.310 1.327 12.856 1.00 0.00 C ATOM 591 NZ LYS A 41 11.407 0.412 13.210 1.00 0.00 N ATOM 0 H LYS A 41 5.879 2.921 8.641 1.00 0.00 H new ATOM 0 HA LYS A 41 7.257 4.475 10.615 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.566 2.143 11.524 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.276 1.659 9.996 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.938 3.666 10.386 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.380 3.614 12.047 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.327 1.069 10.718 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.506 2.224 11.306 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.279 2.154 13.565 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.357 0.804 12.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.265 0.057 14.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.420 -0.388 12.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.313 0.920 13.158 1.00 0.00 H new ATOM 605 N GLY A 42 7.950 5.354 8.327 1.00 0.00 N ATOM 606 CA GLY A 42 8.687 5.916 7.204 1.00 0.00 C ATOM 607 C GLY A 42 8.305 5.185 5.925 1.00 0.00 C ATOM 608 O GLY A 42 7.116 5.101 5.610 1.00 0.00 O ATOM 0 H GLY A 42 7.324 6.012 8.790 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.467 6.979 7.107 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.759 5.828 7.379 1.00 0.00 H new ATOM 612 N SER A 43 9.283 4.659 5.188 1.00 0.00 N ATOM 613 CA SER A 43 9.060 3.884 3.971 1.00 0.00 C ATOM 614 C SER A 43 8.682 2.436 4.306 1.00 0.00 C ATOM 615 O SER A 43 9.238 1.493 3.740 1.00 0.00 O ATOM 616 CB SER A 43 10.293 3.985 3.067 1.00 0.00 C ATOM 617 OG SER A 43 11.439 3.385 3.636 1.00 0.00 O ATOM 0 H SER A 43 10.270 4.762 5.426 1.00 0.00 H new ATOM 0 HA SER A 43 8.214 4.297 3.421 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.077 3.510 2.110 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.502 5.035 2.861 1.00 0.00 H new ATOM 0 HG SER A 43 12.193 4.010 3.589 1.00 0.00 H new ATOM 623 N LEU A 44 7.783 2.239 5.265 1.00 0.00 N ATOM 624 CA LEU A 44 7.358 0.925 5.719 1.00 0.00 C ATOM 625 C LEU A 44 5.946 1.038 6.270 1.00 0.00 C ATOM 626 O LEU A 44 5.701 1.881 7.132 1.00 0.00 O ATOM 627 CB LEU A 44 8.309 0.429 6.820 1.00 0.00 C ATOM 628 CG LEU A 44 8.220 -1.091 7.031 1.00 0.00 C ATOM 629 CD1 LEU A 44 9.124 -1.790 6.015 1.00 0.00 C ATOM 630 CD2 LEU A 44 8.653 -1.467 8.451 1.00 0.00 C ATOM 0 H LEU A 44 7.322 3.005 5.756 1.00 0.00 H new ATOM 0 HA LEU A 44 7.377 0.217 4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.333 0.698 6.560 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.074 0.937 7.755 1.00 0.00 H new ATOM 0 HG LEU A 44 7.187 -1.408 6.892 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.066 -2.869 6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.798 -1.540 5.005 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.153 -1.460 6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.582 -2.547 8.579 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.683 -1.149 8.614 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.002 -0.973 9.173 1.00 0.00 H new ATOM 642 N ALA A 45 5.031 0.183 5.829 1.00 0.00 N ATOM 643 CA ALA A 45 3.747 -0.031 6.487 1.00 0.00 C ATOM 644 C ALA A 45 3.522 -1.534 6.588 1.00 0.00 C ATOM 645 O ALA A 45 3.989 -2.263 5.716 1.00 0.00 O ATOM 646 CB ALA A 45 2.620 0.643 5.696 1.00 0.00 C ATOM 0 H ALA A 45 5.161 -0.388 4.994 1.00 0.00 H new ATOM 0 HA ALA A 45 3.750 0.412 7.483 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.669 0.473 6.201 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.811 1.714 5.632 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.578 0.221 4.692 1.00 0.00 H new ATOM 652 N TRP A 46 2.808 -1.985 7.617 1.00 0.00 N ATOM 653 CA TRP A 46 2.414 -3.372 7.822 1.00 0.00 C ATOM 654 C TRP A 46 0.903 -3.469 7.723 1.00 0.00 C ATOM 655 O TRP A 46 0.218 -2.636 8.324 1.00 0.00 O ATOM 656 CB TRP A 46 2.907 -3.845 9.191 1.00 0.00 C ATOM 657 CG TRP A 46 4.287 -4.420 9.135 1.00 0.00 C ATOM 658 CD1 TRP A 46 5.444 -3.717 9.130 1.00 0.00 C ATOM 659 CD2 TRP A 46 4.664 -5.818 8.956 1.00 0.00 C ATOM 660 NE1 TRP A 46 6.509 -4.598 9.085 1.00 0.00 N ATOM 661 CE2 TRP A 46 6.086 -5.900 8.927 1.00 0.00 C ATOM 662 CE3 TRP A 46 3.950 -7.020 8.770 1.00 0.00 C ATOM 663 CZ2 TRP A 46 6.765 -7.111 8.731 1.00 0.00 C ATOM 664 CZ3 TRP A 46 4.620 -8.238 8.546 1.00 0.00 C ATOM 665 CH2 TRP A 46 6.025 -8.287 8.525 1.00 0.00 C ATOM 0 H TRP A 46 2.476 -1.368 8.358 1.00 0.00 H new ATOM 0 HA TRP A 46 2.860 -4.012 7.061 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.894 -3.007 9.888 1.00 0.00 H new ATOM 0 HB3 TRP A 46 2.220 -4.595 9.582 1.00 0.00 H new ATOM 0 HD1 TRP A 46 5.523 -2.640 9.157 1.00 0.00 H new ATOM 0 HE1 TRP A 46 7.487 -4.319 9.160 1.00 0.00 H new ATOM 0 HE3 TRP A 46 2.871 -7.006 8.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 7.845 -7.139 8.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.050 -9.142 8.389 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.533 -9.224 8.351 1.00 0.00 H new ATOM 676 N LEU A 47 0.408 -4.445 6.956 1.00 0.00 N ATOM 677 CA LEU A 47 -1.006 -4.655 6.679 1.00 0.00 C ATOM 678 C LEU A 47 -1.418 -6.057 7.116 1.00 0.00 C ATOM 679 O LEU A 47 -0.565 -6.944 7.151 1.00 0.00 O ATOM 680 CB LEU A 47 -1.328 -4.505 5.182 1.00 0.00 C ATOM 681 CG LEU A 47 -0.505 -3.588 4.264 1.00 0.00 C ATOM 682 CD1 LEU A 47 -0.251 -2.217 4.881 1.00 0.00 C ATOM 683 CD2 LEU A 47 0.793 -4.223 3.776 1.00 0.00 C ATOM 0 H LEU A 47 1.007 -5.132 6.497 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.557 -3.896 7.235 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.286 -5.504 4.749 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.364 -4.172 5.114 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.128 -3.441 3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.334 -1.610 4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.203 -1.725 5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.298 -2.335 5.815 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.323 -3.520 3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.419 -4.475 4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.566 -5.129 3.214 1.00 0.00 H new ATOM 695 N GLU A 48 -2.710 -6.276 7.402 1.00 0.00 N ATOM 696 CA GLU A 48 -3.173 -7.525 8.053 1.00 0.00 C ATOM 697 C GLU A 48 -4.470 -8.134 7.487 1.00 0.00 C ATOM 698 O GLU A 48 -5.118 -8.957 8.147 1.00 0.00 O ATOM 699 CB GLU A 48 -3.199 -7.331 9.584 1.00 0.00 C ATOM 700 CG GLU A 48 -1.772 -7.238 10.147 1.00 0.00 C ATOM 701 CD GLU A 48 -1.662 -7.171 11.676 1.00 0.00 C ATOM 702 OE1 GLU A 48 -2.601 -7.553 12.413 1.00 0.00 O ATOM 703 OE2 GLU A 48 -0.623 -6.655 12.154 1.00 0.00 O ATOM 0 H GLU A 48 -3.456 -5.611 7.196 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.440 -8.293 7.804 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.752 -6.425 9.831 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.726 -8.163 10.052 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.207 -8.102 9.798 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.293 -6.353 9.728 1.00 0.00 H new ATOM 710 N LEU A 49 -4.765 -7.810 6.225 1.00 0.00 N ATOM 711 CA LEU A 49 -5.957 -8.111 5.408 1.00 0.00 C ATOM 712 C LEU A 49 -7.304 -7.761 6.049 1.00 0.00 C ATOM 713 O LEU A 49 -7.520 -7.962 7.243 1.00 0.00 O ATOM 714 CB LEU A 49 -5.977 -9.579 4.944 1.00 0.00 C ATOM 715 CG LEU A 49 -5.505 -9.847 3.501 1.00 0.00 C ATOM 716 CD1 LEU A 49 -5.848 -11.291 3.117 1.00 0.00 C ATOM 717 CD2 LEU A 49 -6.140 -8.949 2.429 1.00 0.00 C ATOM 0 H LEU A 49 -4.096 -7.264 5.681 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.849 -7.445 4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.352 -10.160 5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.995 -9.956 5.047 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.435 -9.639 3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.516 -11.485 2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.346 -11.978 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.926 -11.438 3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.743 -9.216 1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.221 -9.087 2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.907 -7.906 2.643 1.00 0.00 H new ATOM 729 N PHE A 50 -8.246 -7.246 5.250 1.00 0.00 N ATOM 730 CA PHE A 50 -9.547 -6.782 5.749 1.00 0.00 C ATOM 731 C PHE A 50 -10.579 -7.902 5.940 1.00 0.00 C ATOM 732 O PHE A 50 -11.747 -7.617 6.237 1.00 0.00 O ATOM 733 CB PHE A 50 -10.114 -5.693 4.822 1.00 0.00 C ATOM 734 CG PHE A 50 -10.337 -4.379 5.533 1.00 0.00 C ATOM 735 CD1 PHE A 50 -11.267 -4.279 6.582 1.00 0.00 C ATOM 736 CD2 PHE A 50 -9.580 -3.256 5.170 1.00 0.00 C ATOM 737 CE1 PHE A 50 -11.441 -3.063 7.266 1.00 0.00 C ATOM 738 CE2 PHE A 50 -9.788 -2.037 5.820 1.00 0.00 C ATOM 739 CZ PHE A 50 -10.710 -1.930 6.870 1.00 0.00 C ATOM 0 H PHE A 50 -8.129 -7.139 4.242 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.359 -6.372 6.741 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.429 -5.538 3.989 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -11.058 -6.037 4.399 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -11.852 -5.142 6.865 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -8.838 -3.333 4.389 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -12.134 -3.000 8.092 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -9.231 -1.166 5.509 1.00 0.00 H new ATOM 0 HZ PHE A 50 -10.858 -0.985 7.371 1.00 0.00 H new ATOM 749 N GLY A 51 -10.199 -9.159 5.717 1.00 0.00 N ATOM 750 CA GLY A 51 -11.177 -10.215 5.548 1.00 0.00 C ATOM 751 C GLY A 51 -11.816 -10.104 4.169 1.00 0.00 C ATOM 752 O GLY A 51 -11.263 -9.480 3.256 1.00 0.00 O ATOM 0 H GLY A 51 -9.227 -9.463 5.651 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.699 -11.188 5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.942 -10.143 6.321 1.00 0.00 H new ATOM 756 N ALA A 52 -12.986 -10.725 4.034 1.00 0.00 N ATOM 757 CA ALA A 52 -13.765 -10.935 2.823 1.00 0.00 C ATOM 758 C ALA A 52 -13.104 -11.999 1.950 1.00 0.00 C ATOM 759 O ALA A 52 -13.643 -13.105 1.857 1.00 0.00 O ATOM 760 CB ALA A 52 -14.053 -9.629 2.071 1.00 0.00 C ATOM 0 H ALA A 52 -13.452 -11.130 4.846 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.747 -11.311 3.112 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.637 -9.845 1.176 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.615 -8.954 2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.112 -9.159 1.785 1.00 0.00 H new ATOM 766 N GLU A 53 -11.956 -11.686 1.353 1.00 0.00 N ATOM 767 CA GLU A 53 -11.215 -12.516 0.407 1.00 0.00 C ATOM 768 C GLU A 53 -9.703 -12.292 0.582 1.00 0.00 C ATOM 769 O GLU A 53 -9.280 -11.383 1.303 1.00 0.00 O ATOM 770 CB GLU A 53 -11.668 -12.179 -1.025 1.00 0.00 C ATOM 771 CG GLU A 53 -13.048 -12.783 -1.348 1.00 0.00 C ATOM 772 CD GLU A 53 -13.373 -12.836 -2.847 1.00 0.00 C ATOM 773 OE1 GLU A 53 -12.458 -13.070 -3.673 1.00 0.00 O ATOM 774 OE2 GLU A 53 -14.565 -12.684 -3.211 1.00 0.00 O ATOM 0 H GLU A 53 -11.492 -10.795 1.527 1.00 0.00 H new ATOM 0 HA GLU A 53 -11.420 -13.570 0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -11.708 -11.097 -1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -10.932 -12.554 -1.736 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.095 -13.793 -0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -13.816 -12.199 -0.841 1.00 0.00 H new ATOM 781 N GLN A 54 -8.882 -13.129 -0.060 1.00 0.00 N ATOM 782 CA GLN A 54 -7.425 -13.186 0.097 1.00 0.00 C ATOM 783 C GLN A 54 -6.780 -13.698 -1.202 1.00 0.00 C ATOM 784 O GLN A 54 -7.488 -14.306 -2.006 1.00 0.00 O ATOM 785 CB GLN A 54 -7.098 -14.103 1.295 1.00 0.00 C ATOM 786 CG GLN A 54 -7.574 -15.560 1.138 1.00 0.00 C ATOM 787 CD GLN A 54 -7.508 -16.307 2.467 1.00 0.00 C ATOM 788 OE1 GLN A 54 -8.488 -16.366 3.210 1.00 0.00 O ATOM 789 NE2 GLN A 54 -6.364 -16.858 2.828 1.00 0.00 N ATOM 0 H GLN A 54 -9.229 -13.814 -0.731 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.020 -12.193 0.293 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.019 -14.102 1.452 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.551 -13.682 2.192 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.597 -15.573 0.761 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.955 -16.070 0.400 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.555 -16.806 2.209 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.289 -17.336 3.726 1.00 0.00 H new ATOM 798 N PRO A 55 -5.473 -13.490 -1.438 1.00 0.00 N ATOM 799 CA PRO A 55 -4.804 -13.995 -2.635 1.00 0.00 C ATOM 800 C PRO A 55 -4.628 -15.519 -2.605 1.00 0.00 C ATOM 801 O PRO A 55 -4.821 -16.148 -1.559 1.00 0.00 O ATOM 802 CB PRO A 55 -3.437 -13.302 -2.687 1.00 0.00 C ATOM 803 CG PRO A 55 -3.187 -12.865 -1.253 1.00 0.00 C ATOM 804 CD PRO A 55 -4.571 -12.675 -0.646 1.00 0.00 C ATOM 0 HA PRO A 55 -5.406 -13.780 -3.518 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.659 -13.980 -3.038 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.448 -12.450 -3.367 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.617 -13.616 -0.706 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.611 -11.940 -1.218 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.584 -12.983 0.399 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.868 -11.627 -0.673 1.00 0.00 H new ATOM 812 N PRO A 56 -4.201 -16.122 -3.728 1.00 0.00 N ATOM 813 CA PRO A 56 -3.747 -17.505 -3.740 1.00 0.00 C ATOM 814 C PRO A 56 -2.461 -17.673 -2.911 1.00 0.00 C ATOM 815 O PRO A 56 -1.643 -16.746 -2.849 1.00 0.00 O ATOM 816 CB PRO A 56 -3.487 -17.828 -5.219 1.00 0.00 C ATOM 817 CG PRO A 56 -3.212 -16.466 -5.842 1.00 0.00 C ATOM 818 CD PRO A 56 -4.106 -15.526 -5.051 1.00 0.00 C ATOM 0 HA PRO A 56 -4.484 -18.176 -3.298 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.639 -18.502 -5.339 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.347 -18.313 -5.680 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.161 -16.189 -5.754 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.457 -16.454 -6.904 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.680 -14.524 -5.003 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.089 -15.433 -5.514 1.00 0.00 H new ATOM 826 N PRO A 57 -2.208 -18.884 -2.383 1.00 0.00 N ATOM 827 CA PRO A 57 -0.971 -19.202 -1.691 1.00 0.00 C ATOM 828 C PRO A 57 0.202 -19.273 -2.655 1.00 0.00 C ATOM 829 O PRO A 57 0.033 -19.316 -3.878 1.00 0.00 O ATOM 830 CB PRO A 57 -1.212 -20.543 -0.999 1.00 0.00 C ATOM 831 CG PRO A 57 -2.253 -21.214 -1.891 1.00 0.00 C ATOM 832 CD PRO A 57 -3.092 -20.040 -2.386 1.00 0.00 C ATOM 0 HA PRO A 57 -0.710 -18.428 -0.969 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.298 -21.133 -0.934 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.579 -20.411 0.019 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.789 -21.754 -2.716 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.855 -21.934 -1.337 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.479 -20.232 -3.387 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.952 -19.875 -1.737 1.00 0.00 H new ATOM 840 N ASN A 58 1.409 -19.300 -2.084 1.00 0.00 N ATOM 841 CA ASN A 58 2.700 -19.391 -2.764 1.00 0.00 C ATOM 842 C ASN A 58 2.821 -18.374 -3.901 1.00 0.00 C ATOM 843 O ASN A 58 3.545 -18.581 -4.879 1.00 0.00 O ATOM 844 CB ASN A 58 2.960 -20.841 -3.213 1.00 0.00 C ATOM 845 CG ASN A 58 3.126 -21.823 -2.060 1.00 0.00 C ATOM 846 OD1 ASN A 58 3.114 -21.470 -0.882 1.00 0.00 O ATOM 847 ND2 ASN A 58 3.271 -23.100 -2.348 1.00 0.00 N ATOM 0 H ASN A 58 1.515 -19.256 -1.071 1.00 0.00 H new ATOM 0 HA ASN A 58 3.487 -19.125 -2.058 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.133 -21.170 -3.842 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.858 -20.865 -3.830 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.372 -23.784 -1.598 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.283 -23.405 -3.321 1.00 0.00 H new ATOM 854 N THR A 59 2.090 -17.264 -3.802 1.00 0.00 N ATOM 855 CA THR A 59 1.948 -16.263 -4.842 1.00 0.00 C ATOM 856 C THR A 59 2.394 -14.926 -4.272 1.00 0.00 C ATOM 857 O THR A 59 3.336 -14.341 -4.811 1.00 0.00 O ATOM 858 CB THR A 59 0.509 -16.280 -5.383 1.00 0.00 C ATOM 859 OG1 THR A 59 0.189 -17.574 -5.874 1.00 0.00 O ATOM 860 CG2 THR A 59 0.323 -15.302 -6.525 1.00 0.00 C ATOM 0 H THR A 59 1.563 -17.035 -2.960 1.00 0.00 H new ATOM 0 HA THR A 59 2.582 -16.471 -5.704 1.00 0.00 H new ATOM 0 HB THR A 59 -0.142 -15.998 -4.555 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.043 -18.183 -5.120 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.707 -15.346 -6.878 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.545 -14.292 -6.179 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.997 -15.563 -7.341 1.00 0.00 H new ATOM 868 N LEU A 60 1.803 -14.476 -3.157 1.00 0.00 N ATOM 869 CA LEU A 60 2.351 -13.343 -2.417 1.00 0.00 C ATOM 870 C LEU A 60 3.800 -13.662 -2.081 1.00 0.00 C ATOM 871 O LEU A 60 4.101 -14.764 -1.622 1.00 0.00 O ATOM 872 CB LEU A 60 1.564 -13.057 -1.130 1.00 0.00 C ATOM 873 CG LEU A 60 0.545 -11.917 -1.265 1.00 0.00 C ATOM 874 CD1 LEU A 60 -0.206 -11.774 0.052 1.00 0.00 C ATOM 875 CD2 LEU A 60 1.152 -10.552 -1.613 1.00 0.00 C ATOM 0 H LEU A 60 0.956 -14.877 -2.755 1.00 0.00 H new ATOM 0 HA LEU A 60 2.279 -12.448 -3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.042 -13.964 -0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.266 -12.811 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.104 -12.193 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.934 -10.967 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.722 -12.707 0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.500 -11.546 0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.358 -9.809 -1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.853 -10.256 -0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.677 -10.619 -2.566 1.00 0.00 H new ATOM 887 N SER A 61 4.696 -12.729 -2.374 1.00 0.00 N ATOM 888 CA SER A 61 6.129 -12.918 -2.264 1.00 0.00 C ATOM 889 C SER A 61 6.755 -11.606 -1.771 1.00 0.00 C ATOM 890 O SER A 61 6.122 -10.549 -1.823 1.00 0.00 O ATOM 891 CB SER A 61 6.672 -13.323 -3.637 1.00 0.00 C ATOM 892 OG SER A 61 6.051 -14.460 -4.233 1.00 0.00 O ATOM 0 H SER A 61 4.436 -11.799 -2.702 1.00 0.00 H new ATOM 0 HA SER A 61 6.376 -13.705 -1.552 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.565 -12.476 -4.315 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.739 -13.522 -3.542 1.00 0.00 H new ATOM 0 HG SER A 61 5.103 -14.269 -4.392 1.00 0.00 H new ATOM 898 N GLU A 62 7.993 -11.664 -1.290 1.00 0.00 N ATOM 899 CA GLU A 62 8.623 -10.606 -0.492 1.00 0.00 C ATOM 900 C GLU A 62 9.121 -9.421 -1.324 1.00 0.00 C ATOM 901 O GLU A 62 9.683 -8.470 -0.791 1.00 0.00 O ATOM 902 CB GLU A 62 9.790 -11.139 0.358 1.00 0.00 C ATOM 903 CG GLU A 62 9.433 -12.300 1.295 1.00 0.00 C ATOM 904 CD GLU A 62 10.454 -12.527 2.424 1.00 0.00 C ATOM 905 OE1 GLU A 62 11.290 -11.632 2.693 1.00 0.00 O ATOM 906 OE2 GLU A 62 10.395 -13.594 3.076 1.00 0.00 O ATOM 0 H GLU A 62 8.605 -12.465 -1.446 1.00 0.00 H new ATOM 0 HA GLU A 62 7.826 -10.248 0.160 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.588 -11.463 -0.310 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.188 -10.319 0.956 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.455 -12.110 1.736 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.346 -13.214 0.708 1.00 0.00 H new ATOM 913 N GLY A 63 8.935 -9.445 -2.631 1.00 0.00 N ATOM 914 CA GLY A 63 9.327 -8.392 -3.547 1.00 0.00 C ATOM 915 C GLY A 63 8.236 -8.178 -4.579 1.00 0.00 C ATOM 916 O GLY A 63 8.541 -7.654 -5.650 1.00 0.00 O ATOM 0 H GLY A 63 8.488 -10.232 -3.102 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.507 -7.468 -2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.262 -8.657 -4.042 1.00 0.00 H new ATOM 920 N ALA A 64 6.993 -8.590 -4.269 1.00 0.00 N ATOM 921 CA ALA A 64 5.855 -8.348 -5.135 1.00 0.00 C ATOM 922 C ALA A 64 5.753 -6.840 -5.290 1.00 0.00 C ATOM 923 O ALA A 64 5.742 -6.127 -4.285 1.00 0.00 O ATOM 924 CB ALA A 64 4.568 -8.954 -4.561 1.00 0.00 C ATOM 0 H ALA A 64 6.764 -9.096 -3.413 1.00 0.00 H new ATOM 0 HA ALA A 64 5.990 -8.828 -6.104 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.738 -8.752 -5.238 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.691 -10.031 -4.449 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.359 -8.510 -3.588 1.00 0.00 H new ATOM 930 N GLU A 65 5.754 -6.358 -6.526 1.00 0.00 N ATOM 931 CA GLU A 65 5.421 -4.991 -6.852 1.00 0.00 C ATOM 932 C GLU A 65 3.929 -4.869 -6.613 1.00 0.00 C ATOM 933 O GLU A 65 3.132 -5.572 -7.253 1.00 0.00 O ATOM 934 CB GLU A 65 5.747 -4.640 -8.303 1.00 0.00 C ATOM 935 CG GLU A 65 7.153 -5.042 -8.731 1.00 0.00 C ATOM 936 CD GLU A 65 7.483 -4.461 -10.103 1.00 0.00 C ATOM 937 OE1 GLU A 65 7.137 -5.071 -11.142 1.00 0.00 O ATOM 938 OE2 GLU A 65 8.148 -3.403 -10.169 1.00 0.00 O ATOM 0 H GLU A 65 5.992 -6.923 -7.341 1.00 0.00 H new ATOM 0 HA GLU A 65 6.005 -4.303 -6.240 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.024 -5.129 -8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.628 -3.566 -8.443 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.877 -4.689 -7.997 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.233 -6.129 -8.761 1.00 0.00 H new ATOM 945 N VAL A 66 3.572 -4.013 -5.670 1.00 0.00 N ATOM 946 CA VAL A 66 2.207 -3.775 -5.237 1.00 0.00 C ATOM 947 C VAL A 66 1.994 -2.260 -5.168 1.00 0.00 C ATOM 948 O VAL A 66 2.963 -1.517 -4.963 1.00 0.00 O ATOM 949 CB VAL A 66 1.926 -4.531 -3.916 1.00 0.00 C ATOM 950 CG1 VAL A 66 2.143 -6.040 -4.083 1.00 0.00 C ATOM 951 CG2 VAL A 66 2.817 -4.098 -2.746 1.00 0.00 C ATOM 0 H VAL A 66 4.252 -3.443 -5.166 1.00 0.00 H new ATOM 0 HA VAL A 66 1.478 -4.171 -5.943 1.00 0.00 H new ATOM 0 HB VAL A 66 0.889 -4.287 -3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.938 -6.544 -3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.470 -6.421 -4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.175 -6.229 -4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.557 -4.675 -1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.862 -4.274 -3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.666 -3.037 -2.547 1.00 0.00 H new ATOM 961 N SER A 67 0.764 -1.771 -5.319 1.00 0.00 N ATOM 962 CA SER A 67 0.464 -0.346 -5.348 1.00 0.00 C ATOM 963 C SER A 67 -0.591 0.010 -4.322 1.00 0.00 C ATOM 964 O SER A 67 -1.647 -0.621 -4.258 1.00 0.00 O ATOM 965 CB SER A 67 0.045 0.070 -6.749 1.00 0.00 C ATOM 966 OG SER A 67 -0.940 -0.755 -7.326 1.00 0.00 O ATOM 0 H SER A 67 -0.060 -2.363 -5.426 1.00 0.00 H new ATOM 0 HA SER A 67 1.366 0.207 -5.084 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.328 1.094 -6.716 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.924 0.072 -7.393 1.00 0.00 H new ATOM 0 HG SER A 67 -1.159 -0.425 -8.223 1.00 0.00 H new ATOM 972 N VAL A 68 -0.301 1.040 -3.534 1.00 0.00 N ATOM 973 CA VAL A 68 -1.185 1.516 -2.495 1.00 0.00 C ATOM 974 C VAL A 68 -2.232 2.405 -3.172 1.00 0.00 C ATOM 975 O VAL A 68 -2.067 2.788 -4.330 1.00 0.00 O ATOM 976 CB VAL A 68 -0.378 2.278 -1.420 1.00 0.00 C ATOM 977 CG1 VAL A 68 0.942 1.628 -1.003 1.00 0.00 C ATOM 978 CG2 VAL A 68 -0.228 3.752 -1.663 1.00 0.00 C ATOM 0 H VAL A 68 0.568 1.569 -3.606 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.683 0.694 -1.981 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.032 2.184 -0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.427 2.243 -0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.746 0.637 -0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.595 1.540 -1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.353 4.197 -0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.285 3.914 -2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.213 4.217 -1.700 1.00 0.00 H new ATOM 988 N SER A 69 -3.255 2.811 -2.424 1.00 0.00 N ATOM 989 CA SER A 69 -4.065 4.000 -2.612 1.00 0.00 C ATOM 990 C SER A 69 -4.848 4.199 -1.315 1.00 0.00 C ATOM 991 O SER A 69 -5.421 3.227 -0.819 1.00 0.00 O ATOM 992 CB SER A 69 -4.960 3.803 -3.844 1.00 0.00 C ATOM 993 OG SER A 69 -6.071 2.959 -3.648 1.00 0.00 O ATOM 0 H SER A 69 -3.557 2.274 -1.612 1.00 0.00 H new ATOM 0 HA SER A 69 -3.476 4.897 -2.805 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.318 4.778 -4.173 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.353 3.397 -4.653 1.00 0.00 H new ATOM 0 HG SER A 69 -6.583 2.893 -4.481 1.00 0.00 H new ATOM 999 N VAL A 70 -4.868 5.402 -0.738 1.00 0.00 N ATOM 1000 CA VAL A 70 -5.789 5.716 0.344 1.00 0.00 C ATOM 1001 C VAL A 70 -6.367 7.085 0.069 1.00 0.00 C ATOM 1002 O VAL A 70 -5.684 7.996 -0.389 1.00 0.00 O ATOM 1003 CB VAL A 70 -5.129 5.587 1.727 1.00 0.00 C ATOM 1004 CG1 VAL A 70 -3.945 6.520 1.977 1.00 0.00 C ATOM 1005 CG2 VAL A 70 -6.150 5.812 2.851 1.00 0.00 C ATOM 0 H VAL A 70 -4.255 6.172 -1.006 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.602 4.991 0.375 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.742 4.568 1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.553 6.349 2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.164 6.322 1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.273 7.556 1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.655 5.715 3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.576 6.811 2.761 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.945 5.070 2.774 1.00 0.00 H new ATOM 1015 N TRP A 71 -7.659 7.219 0.301 1.00 0.00 N ATOM 1016 CA TRP A 71 -8.303 8.510 0.321 1.00 0.00 C ATOM 1017 C TRP A 71 -8.024 9.061 1.708 1.00 0.00 C ATOM 1018 O TRP A 71 -8.474 8.470 2.689 1.00 0.00 O ATOM 1019 CB TRP A 71 -9.790 8.318 0.021 1.00 0.00 C ATOM 1020 CG TRP A 71 -10.073 7.779 -1.354 1.00 0.00 C ATOM 1021 CD1 TRP A 71 -10.033 6.480 -1.732 1.00 0.00 C ATOM 1022 CD2 TRP A 71 -10.375 8.528 -2.569 1.00 0.00 C ATOM 1023 NE1 TRP A 71 -10.243 6.388 -3.094 1.00 0.00 N ATOM 1024 CE2 TRP A 71 -10.459 7.623 -3.665 1.00 0.00 C ATOM 1025 CE3 TRP A 71 -10.504 9.897 -2.869 1.00 0.00 C ATOM 1026 CZ2 TRP A 71 -10.641 8.061 -4.989 1.00 0.00 C ATOM 1027 CZ3 TRP A 71 -10.788 10.349 -4.174 1.00 0.00 C ATOM 1028 CH2 TRP A 71 -10.858 9.431 -5.238 1.00 0.00 C ATOM 0 H TRP A 71 -8.287 6.435 0.480 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.938 9.211 -0.429 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.214 7.639 0.760 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -10.300 9.274 0.137 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -9.863 5.644 -1.070 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.239 5.511 -3.615 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -10.382 10.622 -2.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -10.615 7.355 -5.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.952 11.401 -4.357 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.077 9.774 -6.239 1.00 0.00 H new ATOM 1039 N THR A 72 -7.224 10.117 1.809 1.00 0.00 N ATOM 1040 CA THR A 72 -7.105 10.861 3.055 1.00 0.00 C ATOM 1041 C THR A 72 -7.676 12.263 2.812 1.00 0.00 C ATOM 1042 O THR A 72 -8.421 12.457 1.842 1.00 0.00 O ATOM 1043 CB THR A 72 -5.672 10.732 3.613 1.00 0.00 C ATOM 1044 OG1 THR A 72 -5.660 11.177 4.953 1.00 0.00 O ATOM 1045 CG2 THR A 72 -4.603 11.442 2.782 1.00 0.00 C ATOM 0 H THR A 72 -6.651 10.475 1.045 1.00 0.00 H new ATOM 0 HA THR A 72 -7.701 10.459 3.875 1.00 0.00 H new ATOM 0 HB THR A 72 -5.402 9.677 3.559 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.753 11.097 5.316 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.627 11.300 3.246 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.590 11.026 1.775 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.829 12.507 2.732 1.00 0.00 H new ATOM 1053 N GLY A 73 -7.413 13.200 3.725 1.00 0.00 N ATOM 1054 CA GLY A 73 -7.896 14.567 3.648 1.00 0.00 C ATOM 1055 C GLY A 73 -7.646 15.140 2.257 1.00 0.00 C ATOM 1056 O GLY A 73 -6.526 15.072 1.737 1.00 0.00 O ATOM 0 H GLY A 73 -6.846 13.019 4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.962 14.596 3.875 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.394 15.180 4.397 1.00 0.00 H new ATOM 1060 N GLY A 74 -8.692 15.676 1.635 1.00 0.00 N ATOM 1061 CA GLY A 74 -8.626 16.245 0.307 1.00 0.00 C ATOM 1062 C GLY A 74 -8.869 15.187 -0.765 1.00 0.00 C ATOM 1063 O GLY A 74 -9.898 15.242 -1.443 1.00 0.00 O ATOM 0 H GLY A 74 -9.621 15.724 2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.368 17.038 0.212 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.649 16.703 0.154 1.00 0.00 H new ATOM 1067 N ALA A 75 -7.925 14.272 -0.994 1.00 0.00 N ATOM 1068 CA ALA A 75 -7.783 13.602 -2.282 1.00 0.00 C ATOM 1069 C ALA A 75 -7.318 12.161 -2.110 1.00 0.00 C ATOM 1070 O ALA A 75 -6.993 11.716 -1.003 1.00 0.00 O ATOM 1071 CB ALA A 75 -6.779 14.391 -3.130 1.00 0.00 C ATOM 0 H ALA A 75 -7.243 13.978 -0.295 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.752 13.570 -2.779 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.659 13.905 -4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.146 15.407 -3.277 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.817 14.423 -2.619 1.00 0.00 H new ATOM 1077 N LEU A 76 -7.273 11.425 -3.221 1.00 0.00 N ATOM 1078 CA LEU A 76 -6.719 10.092 -3.237 1.00 0.00 C ATOM 1079 C LEU A 76 -5.226 10.220 -3.415 1.00 0.00 C ATOM 1080 O LEU A 76 -4.751 10.743 -4.424 1.00 0.00 O ATOM 1081 CB LEU A 76 -7.342 9.297 -4.371 1.00 0.00 C ATOM 1082 CG LEU A 76 -6.957 7.813 -4.438 1.00 0.00 C ATOM 1083 CD1 LEU A 76 -5.985 7.534 -5.563 1.00 0.00 C ATOM 1084 CD2 LEU A 76 -6.645 7.128 -3.123 1.00 0.00 C ATOM 0 H LEU A 76 -7.620 11.744 -4.125 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.932 9.564 -2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.426 9.368 -4.286 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.065 9.768 -5.314 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.883 7.301 -4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.738 6.472 -5.576 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.439 7.812 -6.514 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.076 8.116 -5.411 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.388 6.085 -3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.805 7.629 -2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.517 7.177 -2.471 1.00 0.00 H new ATOM 1096 N CYS A 77 -4.498 9.752 -2.417 1.00 0.00 N ATOM 1097 CA CYS A 77 -3.072 9.669 -2.412 1.00 0.00 C ATOM 1098 C CYS A 77 -2.742 8.232 -2.752 1.00 0.00 C ATOM 1099 O CYS A 77 -3.219 7.317 -2.073 1.00 0.00 O ATOM 1100 CB CYS A 77 -2.540 10.068 -1.044 1.00 0.00 C ATOM 1101 SG CYS A 77 -3.168 9.253 0.421 1.00 0.00 S ATOM 0 H CYS A 77 -4.917 9.407 -1.554 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.610 10.344 -3.132 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.460 9.924 -1.060 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -2.717 11.137 -0.924 1.00 0.00 H new ATOM 0 HG CYS A 77 -4.392 8.869 0.213 1.00 0.00 H new ATOM 1107 N ARG A 78 -1.980 7.997 -3.815 1.00 0.00 N ATOM 1108 CA ARG A 78 -1.559 6.640 -4.114 1.00 0.00 C ATOM 1109 C ARG A 78 -0.082 6.682 -4.426 1.00 0.00 C ATOM 1110 O ARG A 78 0.490 7.746 -4.665 1.00 0.00 O ATOM 1111 CB ARG A 78 -2.456 6.011 -5.200 1.00 0.00 C ATOM 1112 CG ARG A 78 -1.950 6.070 -6.643 1.00 0.00 C ATOM 1113 CD ARG A 78 -1.172 4.822 -7.101 1.00 0.00 C ATOM 1114 NE ARG A 78 -1.242 4.674 -8.564 1.00 0.00 N ATOM 1115 CZ ARG A 78 -2.170 3.992 -9.247 1.00 0.00 C ATOM 1116 NH1 ARG A 78 -2.998 3.164 -8.627 1.00 0.00 N ATOM 1117 NH2 ARG A 78 -2.280 4.156 -10.562 1.00 0.00 N ATOM 0 H ARG A 78 -1.650 8.709 -4.466 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.688 5.971 -3.263 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.618 4.965 -4.941 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.428 6.503 -5.162 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.802 6.215 -7.307 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.307 6.943 -6.753 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.131 4.901 -6.788 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.583 3.934 -6.620 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.514 5.135 -9.110 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.933 3.040 -7.617 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.700 2.651 -9.160 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.658 4.801 -11.049 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.987 3.637 -11.083 1.00 0.00 H new ATOM 1131 N CYS A 79 0.532 5.516 -4.357 1.00 0.00 N ATOM 1132 CA CYS A 79 1.962 5.357 -4.524 1.00 0.00 C ATOM 1133 C CYS A 79 2.184 3.922 -4.988 1.00 0.00 C ATOM 1134 O CYS A 79 1.279 3.084 -4.898 1.00 0.00 O ATOM 1135 CB CYS A 79 2.636 5.680 -3.177 1.00 0.00 C ATOM 1136 SG CYS A 79 4.440 5.836 -3.307 1.00 0.00 S ATOM 0 H CYS A 79 0.042 4.639 -4.180 1.00 0.00 H new ATOM 0 HA CYS A 79 2.398 6.028 -5.264 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.224 6.609 -2.784 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.395 4.896 -2.459 1.00 0.00 H new ATOM 0 HG CYS A 79 4.937 6.110 -2.137 1.00 0.00 H new ATOM 1142 N ASP A 80 3.386 3.632 -5.461 1.00 0.00 N ATOM 1143 CA ASP A 80 3.748 2.355 -6.046 1.00 0.00 C ATOM 1144 C ASP A 80 4.941 1.844 -5.253 1.00 0.00 C ATOM 1145 O ASP A 80 5.795 2.621 -4.823 1.00 0.00 O ATOM 1146 CB ASP A 80 4.079 2.523 -7.531 1.00 0.00 C ATOM 1147 CG ASP A 80 2.845 2.806 -8.398 1.00 0.00 C ATOM 1148 OD1 ASP A 80 2.219 1.824 -8.860 1.00 0.00 O ATOM 1149 OD2 ASP A 80 2.523 3.995 -8.647 1.00 0.00 O ATOM 0 H ASP A 80 4.157 4.299 -5.447 1.00 0.00 H new ATOM 0 HA ASP A 80 2.927 1.640 -5.996 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.792 3.339 -7.647 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.569 1.619 -7.892 1.00 0.00 H new ATOM 1154 N GLY A 81 4.963 0.542 -5.002 1.00 0.00 N ATOM 1155 CA GLY A 81 5.763 -0.059 -3.950 1.00 0.00 C ATOM 1156 C GLY A 81 6.221 -1.477 -4.254 1.00 0.00 C ATOM 1157 O GLY A 81 5.962 -1.995 -5.345 1.00 0.00 O ATOM 0 H GLY A 81 4.416 -0.135 -5.534 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.639 0.565 -3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.184 -0.065 -3.026 1.00 0.00 H new ATOM 1161 N ARG A 82 6.883 -2.109 -3.280 1.00 0.00 N ATOM 1162 CA ARG A 82 7.159 -3.547 -3.249 1.00 0.00 C ATOM 1163 C ARG A 82 6.801 -4.043 -1.841 1.00 0.00 C ATOM 1164 O ARG A 82 6.732 -3.225 -0.922 1.00 0.00 O ATOM 1165 CB ARG A 82 8.620 -3.884 -3.574 1.00 0.00 C ATOM 1166 CG ARG A 82 9.006 -3.362 -4.963 1.00 0.00 C ATOM 1167 CD ARG A 82 9.965 -4.290 -5.696 1.00 0.00 C ATOM 1168 NE ARG A 82 11.281 -4.420 -5.041 1.00 0.00 N ATOM 1169 CZ ARG A 82 12.348 -3.626 -5.192 1.00 0.00 C ATOM 1170 NH1 ARG A 82 12.301 -2.511 -5.911 1.00 0.00 N ATOM 1171 NH2 ARG A 82 13.486 -3.950 -4.592 1.00 0.00 N ATOM 0 H ARG A 82 7.253 -1.618 -2.466 1.00 0.00 H new ATOM 0 HA ARG A 82 6.563 -4.040 -4.017 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.275 -3.445 -2.821 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.766 -4.963 -3.533 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.104 -3.233 -5.561 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.465 -2.379 -4.862 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.510 -5.277 -5.777 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.109 -3.921 -6.711 1.00 0.00 H new ATOM 0 HE ARG A 82 11.390 -5.205 -4.399 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.432 -2.236 -6.369 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.134 -1.929 -6.005 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.540 -4.795 -4.024 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.307 -3.354 -4.699 1.00 0.00 H new ATOM 1185 N VAL A 83 6.647 -5.351 -1.633 1.00 0.00 N ATOM 1186 CA VAL A 83 6.361 -5.933 -0.316 1.00 0.00 C ATOM 1187 C VAL A 83 7.526 -5.727 0.670 1.00 0.00 C ATOM 1188 O VAL A 83 7.320 -5.426 1.844 1.00 0.00 O ATOM 1189 CB VAL A 83 5.966 -7.410 -0.511 1.00 0.00 C ATOM 1190 CG1 VAL A 83 5.992 -8.248 0.769 1.00 0.00 C ATOM 1191 CG2 VAL A 83 4.546 -7.487 -1.088 1.00 0.00 C ATOM 0 H VAL A 83 6.717 -6.044 -2.378 1.00 0.00 H new ATOM 0 HA VAL A 83 5.521 -5.416 0.147 1.00 0.00 H new ATOM 0 HB VAL A 83 6.715 -7.824 -1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.701 -9.273 0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.998 -8.242 1.187 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.295 -7.827 1.494 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.266 -8.531 -1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.847 -7.012 -0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.515 -6.973 -2.049 1.00 0.00 H new ATOM 1201 N GLU A 84 8.761 -5.865 0.203 1.00 0.00 N ATOM 1202 CA GLU A 84 10.017 -5.971 0.967 1.00 0.00 C ATOM 1203 C GLU A 84 10.114 -7.238 1.836 1.00 0.00 C ATOM 1204 O GLU A 84 11.155 -7.894 1.863 1.00 0.00 O ATOM 1205 CB GLU A 84 10.161 -4.763 1.882 1.00 0.00 C ATOM 1206 CG GLU A 84 11.561 -4.448 2.374 1.00 0.00 C ATOM 1207 CD GLU A 84 12.505 -3.760 1.395 1.00 0.00 C ATOM 1208 OE1 GLU A 84 12.079 -3.059 0.458 1.00 0.00 O ATOM 1209 OE2 GLU A 84 13.728 -3.849 1.659 1.00 0.00 O ATOM 0 H GLU A 84 8.934 -5.910 -0.801 1.00 0.00 H new ATOM 0 HA GLU A 84 10.814 -6.020 0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.780 -3.888 1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.521 -4.915 2.751 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.474 -3.818 3.259 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.025 -5.382 2.692 1.00 0.00 H new ATOM 1216 N THR A 85 9.073 -7.542 2.615 1.00 0.00 N ATOM 1217 CA THR A 85 9.087 -8.519 3.691 1.00 0.00 C ATOM 1218 C THR A 85 7.657 -9.034 3.870 1.00 0.00 C ATOM 1219 O THR A 85 6.805 -8.346 4.435 1.00 0.00 O ATOM 1220 CB THR A 85 9.616 -7.847 4.980 1.00 0.00 C ATOM 1221 OG1 THR A 85 10.790 -7.068 4.774 1.00 0.00 O ATOM 1222 CG2 THR A 85 9.905 -8.886 6.064 1.00 0.00 C ATOM 0 H THR A 85 8.164 -7.093 2.504 1.00 0.00 H new ATOM 0 HA THR A 85 9.743 -9.359 3.462 1.00 0.00 H new ATOM 0 HB THR A 85 8.820 -7.175 5.299 1.00 0.00 H new ATOM 0 HG1 THR A 85 11.072 -6.670 5.624 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.275 -8.385 6.958 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.989 -9.426 6.304 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.657 -9.588 5.704 1.00 0.00 H new ATOM 1230 N LEU A 86 7.364 -10.228 3.352 1.00 0.00 N ATOM 1231 CA LEU A 86 6.092 -10.895 3.617 1.00 0.00 C ATOM 1232 C LEU A 86 6.178 -11.604 4.974 1.00 0.00 C ATOM 1233 O LEU A 86 7.282 -11.887 5.445 1.00 0.00 O ATOM 1234 CB LEU A 86 5.786 -11.893 2.488 1.00 0.00 C ATOM 1235 CG LEU A 86 4.279 -12.174 2.341 1.00 0.00 C ATOM 1236 CD1 LEU A 86 3.654 -11.154 1.385 1.00 0.00 C ATOM 1237 CD2 LEU A 86 4.010 -13.578 1.802 1.00 0.00 C ATOM 0 H LEU A 86 7.994 -10.753 2.745 1.00 0.00 H new ATOM 0 HA LEU A 86 5.282 -10.166 3.651 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.173 -11.502 1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.309 -12.829 2.683 1.00 0.00 H new ATOM 0 HG LEU A 86 3.835 -12.095 3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.588 -11.356 1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.797 -10.149 1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.132 -11.230 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.935 -13.734 1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.474 -13.686 0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.429 -14.317 2.485 1.00 0.00 H new ATOM 1249 N ARG A 87 5.043 -11.958 5.588 1.00 0.00 N ATOM 1250 CA ARG A 87 4.995 -12.792 6.795 1.00 0.00 C ATOM 1251 C ARG A 87 3.945 -13.891 6.682 1.00 0.00 C ATOM 1252 O ARG A 87 4.240 -15.031 7.042 1.00 0.00 O ATOM 1253 CB ARG A 87 4.826 -11.892 8.026 1.00 0.00 C ATOM 1254 CG ARG A 87 4.576 -12.640 9.340 1.00 0.00 C ATOM 1255 CD ARG A 87 4.980 -11.799 10.559 1.00 0.00 C ATOM 1256 NE ARG A 87 6.265 -12.276 11.097 1.00 0.00 N ATOM 1257 CZ ARG A 87 6.426 -13.208 12.042 1.00 0.00 C ATOM 1258 NH1 ARG A 87 5.389 -13.628 12.756 1.00 0.00 N ATOM 1259 NH2 ARG A 87 7.628 -13.735 12.251 1.00 0.00 N ATOM 0 H ARG A 87 4.122 -11.670 5.257 1.00 0.00 H new ATOM 0 HA ARG A 87 5.938 -13.326 6.911 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.721 -11.281 8.137 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.994 -11.210 7.849 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.521 -12.903 9.413 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.138 -13.574 9.340 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.062 -10.750 10.276 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.209 -11.863 11.327 1.00 0.00 H new ATOM 0 HE ARG A 87 7.111 -11.856 10.713 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.461 -13.239 12.585 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.520 -14.339 13.475 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.424 -13.428 11.691 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.755 -14.446 12.971 1.00 0.00 H new ATOM 1273 N ASP A 88 2.773 -13.588 6.141 1.00 0.00 N ATOM 1274 CA ASP A 88 1.721 -14.522 5.763 1.00 0.00 C ATOM 1275 C ASP A 88 1.136 -13.990 4.453 1.00 0.00 C ATOM 1276 O ASP A 88 1.348 -12.834 4.091 1.00 0.00 O ATOM 1277 CB ASP A 88 0.562 -14.553 6.788 1.00 0.00 C ATOM 1278 CG ASP A 88 0.838 -15.066 8.201 1.00 0.00 C ATOM 1279 OD1 ASP A 88 1.523 -14.363 8.974 1.00 0.00 O ATOM 1280 OD2 ASP A 88 0.193 -16.052 8.638 1.00 0.00 O ATOM 0 H ASP A 88 2.515 -12.621 5.942 1.00 0.00 H new ATOM 0 HA ASP A 88 2.144 -15.524 5.695 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.173 -13.539 6.876 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.235 -15.165 6.365 1.00 0.00 H new ATOM 1285 N ASP A 89 0.238 -14.752 3.839 1.00 0.00 N ATOM 1286 CA ASP A 89 -0.654 -14.356 2.734 1.00 0.00 C ATOM 1287 C ASP A 89 -1.560 -13.166 3.092 1.00 0.00 C ATOM 1288 O ASP A 89 -2.264 -12.597 2.253 1.00 0.00 O ATOM 1289 CB ASP A 89 -1.563 -15.544 2.387 1.00 0.00 C ATOM 1290 CG ASP A 89 -0.962 -16.513 1.379 1.00 0.00 C ATOM 1291 OD1 ASP A 89 0.268 -16.759 1.419 1.00 0.00 O ATOM 1292 OD2 ASP A 89 -1.759 -17.089 0.617 1.00 0.00 O ATOM 0 H ASP A 89 0.098 -15.725 4.110 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.018 -14.060 1.899 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.797 -16.088 3.302 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -2.505 -15.164 1.992 1.00 0.00 H new ATOM 1297 N ARG A 90 -1.578 -12.800 4.368 1.00 0.00 N ATOM 1298 CA ARG A 90 -2.457 -11.807 4.954 1.00 0.00 C ATOM 1299 C ARG A 90 -1.691 -10.752 5.741 1.00 0.00 C ATOM 1300 O ARG A 90 -2.217 -9.656 5.881 1.00 0.00 O ATOM 1301 CB ARG A 90 -3.500 -12.508 5.837 1.00 0.00 C ATOM 1302 CG ARG A 90 -2.864 -13.473 6.844 1.00 0.00 C ATOM 1303 CD ARG A 90 -3.791 -13.773 8.009 1.00 0.00 C ATOM 1304 NE ARG A 90 -4.646 -14.919 7.698 1.00 0.00 N ATOM 1305 CZ ARG A 90 -5.838 -15.168 8.228 1.00 0.00 C ATOM 1306 NH1 ARG A 90 -6.526 -14.223 8.863 1.00 0.00 N ATOM 1307 NH2 ARG A 90 -6.326 -16.393 8.133 1.00 0.00 N ATOM 0 H ARG A 90 -0.945 -13.212 5.054 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.963 -11.279 4.145 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.080 -11.757 6.374 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.198 -13.056 5.204 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.603 -14.403 6.339 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -1.936 -13.044 7.221 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.205 -13.981 8.904 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.407 -12.900 8.226 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.295 -15.587 7.012 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.140 -13.283 8.951 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.440 -14.438 9.262 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.789 -17.121 7.661 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.239 -16.610 8.532 1.00 0.00 H new ATOM 1321 N GLN A 91 -0.488 -11.039 6.242 1.00 0.00 N ATOM 1322 CA GLN A 91 0.287 -10.127 7.065 1.00 0.00 C ATOM 1323 C GLN A 91 1.586 -9.892 6.336 1.00 0.00 C ATOM 1324 O GLN A 91 2.305 -10.849 6.052 1.00 0.00 O ATOM 1325 CB GLN A 91 0.615 -10.700 8.443 1.00 0.00 C ATOM 1326 CG GLN A 91 -0.613 -11.150 9.232 1.00 0.00 C ATOM 1327 CD GLN A 91 -0.282 -11.539 10.664 1.00 0.00 C ATOM 1328 OE1 GLN A 91 -0.920 -11.057 11.596 1.00 0.00 O ATOM 1329 NE2 GLN A 91 0.633 -12.478 10.874 1.00 0.00 N ATOM 0 H GLN A 91 -0.022 -11.932 6.080 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.295 -9.219 7.224 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.289 -11.548 8.322 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.151 -9.947 9.021 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -1.349 -10.346 9.239 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.073 -11.999 8.727 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.154 -12.867 10.088 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.815 -12.810 11.821 1.00 0.00 H new ATOM 1338 N PHE A 92 1.884 -8.654 6.007 1.00 0.00 N ATOM 1339 CA PHE A 92 3.115 -8.332 5.307 1.00 0.00 C ATOM 1340 C PHE A 92 3.414 -6.855 5.437 1.00 0.00 C ATOM 1341 O PHE A 92 2.548 -6.064 5.819 1.00 0.00 O ATOM 1342 CB PHE A 92 3.031 -8.789 3.840 1.00 0.00 C ATOM 1343 CG PHE A 92 1.746 -8.498 3.096 1.00 0.00 C ATOM 1344 CD1 PHE A 92 0.695 -9.432 3.135 1.00 0.00 C ATOM 1345 CD2 PHE A 92 1.612 -7.334 2.320 1.00 0.00 C ATOM 1346 CE1 PHE A 92 -0.500 -9.185 2.444 1.00 0.00 C ATOM 1347 CE2 PHE A 92 0.428 -7.103 1.598 1.00 0.00 C ATOM 1348 CZ PHE A 92 -0.631 -8.022 1.666 1.00 0.00 C ATOM 0 H PHE A 92 1.291 -7.850 6.212 1.00 0.00 H new ATOM 0 HA PHE A 92 3.946 -8.872 5.761 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.850 -8.322 3.294 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.201 -9.865 3.811 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.809 -10.345 3.701 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.419 -6.617 2.278 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.318 -9.887 2.510 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.333 -6.216 0.989 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.545 -7.836 1.121 1.00 0.00 H new ATOM 1358 N ALA A 93 4.662 -6.509 5.142 1.00 0.00 N ATOM 1359 CA ALA A 93 5.107 -5.144 5.020 1.00 0.00 C ATOM 1360 C ALA A 93 4.889 -4.674 3.576 1.00 0.00 C ATOM 1361 O ALA A 93 4.613 -5.481 2.687 1.00 0.00 O ATOM 1362 CB ALA A 93 6.584 -5.082 5.418 1.00 0.00 C ATOM 0 H ALA A 93 5.402 -7.192 4.979 1.00 0.00 H new ATOM 0 HA ALA A 93 4.541 -4.483 5.677 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.941 -4.056 5.332 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.698 -5.421 6.448 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.166 -5.725 4.758 1.00 0.00 H new ATOM 1368 N ILE A 94 5.086 -3.379 3.331 1.00 0.00 N ATOM 1369 CA ILE A 94 5.279 -2.771 2.022 1.00 0.00 C ATOM 1370 C ILE A 94 6.235 -1.578 2.171 1.00 0.00 C ATOM 1371 O ILE A 94 6.053 -0.704 3.025 1.00 0.00 O ATOM 1372 CB ILE A 94 3.937 -2.310 1.412 1.00 0.00 C ATOM 1373 CG1 ILE A 94 3.025 -1.545 2.401 1.00 0.00 C ATOM 1374 CG2 ILE A 94 3.224 -3.454 0.684 1.00 0.00 C ATOM 1375 CD1 ILE A 94 1.828 -0.861 1.736 1.00 0.00 C ATOM 0 H ILE A 94 5.116 -2.692 4.084 1.00 0.00 H new ATOM 0 HA ILE A 94 5.706 -3.511 1.345 1.00 0.00 H new ATOM 0 HB ILE A 94 4.188 -1.565 0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.660 -2.241 3.157 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.619 -0.793 2.921 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.284 -3.091 0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.858 -3.824 -0.122 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.022 -4.262 1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.236 -0.346 2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.184 -0.139 1.001 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.210 -1.610 1.240 1.00 0.00 H new ATOM 1387 N ARG A 95 7.253 -1.518 1.311 1.00 0.00 N ATOM 1388 CA ARG A 95 8.205 -0.415 1.220 1.00 0.00 C ATOM 1389 C ARG A 95 7.622 0.516 0.175 1.00 0.00 C ATOM 1390 O ARG A 95 7.329 0.087 -0.946 1.00 0.00 O ATOM 1391 CB ARG A 95 9.598 -0.978 0.881 1.00 0.00 C ATOM 1392 CG ARG A 95 10.815 -0.074 1.136 1.00 0.00 C ATOM 1393 CD ARG A 95 10.913 1.147 0.226 1.00 0.00 C ATOM 1394 NE ARG A 95 12.298 1.429 -0.199 1.00 0.00 N ATOM 1395 CZ ARG A 95 13.308 1.921 0.527 1.00 0.00 C ATOM 1396 NH1 ARG A 95 13.173 2.269 1.798 1.00 0.00 N ATOM 1397 NH2 ARG A 95 14.492 2.079 -0.038 1.00 0.00 N ATOM 0 H ARG A 95 7.442 -2.261 0.638 1.00 0.00 H new ATOM 0 HA ARG A 95 8.350 0.140 2.147 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.737 -1.896 1.452 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.601 -1.255 -0.173 1.00 0.00 H new ATOM 0 HG2 ARG A 95 10.786 0.265 2.172 1.00 0.00 H new ATOM 0 HG3 ARG A 95 11.721 -0.669 1.020 1.00 0.00 H new ATOM 0 HD2 ARG A 95 10.291 0.989 -0.655 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.513 2.017 0.747 1.00 0.00 H new ATOM 0 HE ARG A 95 12.513 1.222 -1.174 1.00 0.00 H new ATOM 0 HH11 ARG A 95 12.270 2.166 2.262 1.00 0.00 H new ATOM 0 HH12 ARG A 95 13.972 2.640 2.313 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.628 1.827 -1.017 1.00 0.00 H new ATOM 0 HH22 ARG A 95 15.270 2.453 0.505 1.00 0.00 H new ATOM 1411 N LEU A 96 7.326 1.755 0.561 1.00 0.00 N ATOM 1412 CA LEU A 96 6.875 2.769 -0.388 1.00 0.00 C ATOM 1413 C LEU A 96 8.126 3.219 -1.134 1.00 0.00 C ATOM 1414 O LEU A 96 9.095 3.593 -0.473 1.00 0.00 O ATOM 1415 CB LEU A 96 6.194 3.967 0.309 1.00 0.00 C ATOM 1416 CG LEU A 96 5.039 3.645 1.287 1.00 0.00 C ATOM 1417 CD1 LEU A 96 4.117 4.854 1.458 1.00 0.00 C ATOM 1418 CD2 LEU A 96 4.158 2.473 0.865 1.00 0.00 C ATOM 0 H LEU A 96 7.391 2.081 1.525 1.00 0.00 H new ATOM 0 HA LEU A 96 6.121 2.357 -1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.958 4.520 0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.809 4.634 -0.462 1.00 0.00 H new ATOM 0 HG LEU A 96 5.544 3.377 2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.313 4.603 2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.688 5.694 1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.692 5.127 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.376 2.319 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.702 2.690 -0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.765 1.571 0.786 1.00 0.00 H new ATOM 1430 N VAL A 97 8.131 3.172 -2.467 1.00 0.00 N ATOM 1431 CA VAL A 97 9.226 3.725 -3.257 1.00 0.00 C ATOM 1432 C VAL A 97 8.707 4.908 -4.056 1.00 0.00 C ATOM 1433 O VAL A 97 7.515 5.012 -4.347 1.00 0.00 O ATOM 1434 CB VAL A 97 9.894 2.675 -4.169 1.00 0.00 C ATOM 1435 CG1 VAL A 97 10.609 1.606 -3.348 1.00 0.00 C ATOM 1436 CG2 VAL A 97 8.959 1.982 -5.164 1.00 0.00 C ATOM 0 H VAL A 97 7.384 2.754 -3.022 1.00 0.00 H new ATOM 0 HA VAL A 97 10.008 4.058 -2.574 1.00 0.00 H new ATOM 0 HB VAL A 97 10.602 3.257 -4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 97 11.070 0.880 -4.018 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.379 2.073 -2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.890 1.100 -2.704 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.526 1.264 -5.756 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.170 1.462 -4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.514 2.726 -5.824 1.00 0.00 H new ATOM 1446 N GLY A 98 9.612 5.787 -4.468 1.00 0.00 N ATOM 1447 CA GLY A 98 9.272 7.010 -5.105 1.00 0.00 C ATOM 1448 C GLY A 98 8.706 7.943 -4.058 1.00 0.00 C ATOM 1449 O GLY A 98 9.013 7.889 -2.864 1.00 0.00 O ATOM 0 H GLY A 98 10.616 5.648 -4.357 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.151 7.452 -5.574 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.542 6.837 -5.896 1.00 0.00 H new ATOM 1453 N ARG A 99 7.894 8.834 -4.578 1.00 0.00 N ATOM 1454 CA ARG A 99 7.320 9.979 -3.894 1.00 0.00 C ATOM 1455 C ARG A 99 5.817 9.965 -4.123 1.00 0.00 C ATOM 1456 O ARG A 99 5.360 9.710 -5.235 1.00 0.00 O ATOM 1457 CB ARG A 99 7.997 11.235 -4.448 1.00 0.00 C ATOM 1458 CG ARG A 99 7.856 12.493 -3.584 1.00 0.00 C ATOM 1459 CD ARG A 99 6.508 13.189 -3.788 1.00 0.00 C ATOM 1460 NE ARG A 99 6.647 14.610 -4.148 1.00 0.00 N ATOM 1461 CZ ARG A 99 5.638 15.477 -4.286 1.00 0.00 C ATOM 1462 NH1 ARG A 99 4.385 15.121 -4.029 1.00 0.00 N ATOM 1463 NH2 ARG A 99 5.901 16.708 -4.703 1.00 0.00 N ATOM 0 H ARG A 99 7.595 8.778 -5.552 1.00 0.00 H new ATOM 0 HA ARG A 99 7.485 9.954 -2.817 1.00 0.00 H new ATOM 0 HB2 ARG A 99 9.058 11.025 -4.584 1.00 0.00 H new ATOM 0 HB3 ARG A 99 7.584 11.444 -5.435 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.968 12.224 -2.534 1.00 0.00 H new ATOM 0 HG3 ARG A 99 8.661 13.188 -3.823 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.953 12.673 -4.572 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.920 13.107 -2.874 1.00 0.00 H new ATOM 0 HE ARG A 99 7.591 14.962 -4.305 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.178 14.171 -3.720 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.630 15.797 -4.140 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.861 16.981 -4.913 1.00 0.00 H new ATOM 0 HH22 ARG A 99 5.143 17.382 -4.814 1.00 0.00 H new ATOM 1477 N VAL A 100 5.053 10.244 -3.076 1.00 0.00 N ATOM 1478 CA VAL A 100 3.593 10.159 -3.117 1.00 0.00 C ATOM 1479 C VAL A 100 3.052 11.354 -3.905 1.00 0.00 C ATOM 1480 O VAL A 100 3.640 12.438 -3.854 1.00 0.00 O ATOM 1481 CB VAL A 100 2.998 10.107 -1.694 1.00 0.00 C ATOM 1482 CG1 VAL A 100 1.504 9.747 -1.705 1.00 0.00 C ATOM 1483 CG2 VAL A 100 3.700 9.063 -0.820 1.00 0.00 C ATOM 0 H VAL A 100 5.425 10.536 -2.172 1.00 0.00 H new ATOM 0 HA VAL A 100 3.296 9.236 -3.616 1.00 0.00 H new ATOM 0 HB VAL A 100 3.144 11.108 -1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.128 9.722 -0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.954 10.495 -2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.369 8.768 -2.165 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.251 9.059 0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 100 3.591 8.077 -1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 100 4.759 9.309 -0.738 1.00 0.00 H new ATOM 1493 N ARG A 101 1.915 11.212 -4.589 1.00 0.00 N ATOM 1494 CA ARG A 101 1.166 12.360 -5.092 1.00 0.00 C ATOM 1495 C ARG A 101 -0.328 12.069 -5.048 1.00 0.00 C ATOM 1496 O ARG A 101 -0.750 10.910 -5.019 1.00 0.00 O ATOM 1497 CB ARG A 101 1.651 12.798 -6.488 1.00 0.00 C ATOM 1498 CG ARG A 101 2.169 11.695 -7.427 1.00 0.00 C ATOM 1499 CD ARG A 101 2.206 12.260 -8.851 1.00 0.00 C ATOM 1500 NE ARG A 101 2.887 11.380 -9.812 1.00 0.00 N ATOM 1501 CZ ARG A 101 4.178 11.432 -10.156 1.00 0.00 C ATOM 1502 NH1 ARG A 101 5.037 12.218 -9.522 1.00 0.00 N ATOM 1503 NH2 ARG A 101 4.607 10.679 -11.158 1.00 0.00 N ATOM 0 H ARG A 101 1.493 10.309 -4.807 1.00 0.00 H new ATOM 0 HA ARG A 101 1.355 13.211 -4.438 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.828 13.309 -6.988 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.447 13.531 -6.355 1.00 0.00 H new ATOM 0 HG2 ARG A 101 3.163 11.370 -7.120 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.520 10.821 -7.381 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.185 12.435 -9.191 1.00 0.00 H new ATOM 0 HD3 ARG A 101 2.708 13.227 -8.837 1.00 0.00 H new ATOM 0 HE ARG A 101 2.320 10.660 -10.260 1.00 0.00 H new ATOM 0 HH11 ARG A 101 4.718 12.804 -8.750 1.00 0.00 H new ATOM 0 HH12 ARG A 101 6.016 12.237 -9.806 1.00 0.00 H new ATOM 0 HH21 ARG A 101 3.955 10.071 -11.655 1.00 0.00 H new ATOM 0 HH22 ARG A 101 5.589 10.707 -11.433 1.00 0.00 H new ATOM 1517 N GLU A 102 -1.132 13.132 -5.050 1.00 0.00 N ATOM 1518 CA GLU A 102 -2.582 13.075 -5.004 1.00 0.00 C ATOM 1519 C GLU A 102 -3.088 13.220 -6.430 1.00 0.00 C ATOM 1520 O GLU A 102 -3.465 14.301 -6.881 1.00 0.00 O ATOM 1521 CB GLU A 102 -3.210 14.035 -3.971 1.00 0.00 C ATOM 1522 CG GLU A 102 -2.556 15.406 -3.689 1.00 0.00 C ATOM 1523 CD GLU A 102 -3.297 16.609 -4.286 1.00 0.00 C ATOM 1524 OE1 GLU A 102 -4.477 16.849 -3.937 1.00 0.00 O ATOM 1525 OE2 GLU A 102 -2.679 17.368 -5.070 1.00 0.00 O ATOM 0 H GLU A 102 -0.774 14.086 -5.085 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.913 12.110 -4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -4.236 14.225 -4.287 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.263 13.500 -3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.482 15.542 -2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.538 15.394 -4.079 1.00 0.00 H new ATOM 1532 N LEU A 103 -2.991 12.115 -7.173 1.00 0.00 N ATOM 1533 CA LEU A 103 -3.199 12.084 -8.619 1.00 0.00 C ATOM 1534 C LEU A 103 -4.681 12.049 -9.006 1.00 0.00 C ATOM 1535 O LEU A 103 -4.977 12.007 -10.203 1.00 0.00 O ATOM 1536 CB LEU A 103 -2.528 10.880 -9.287 1.00 0.00 C ATOM 1537 CG LEU A 103 -1.135 10.506 -8.777 1.00 0.00 C ATOM 1538 CD1 LEU A 103 -1.229 9.317 -7.829 1.00 0.00 C ATOM 1539 CD2 LEU A 103 -0.261 10.149 -9.972 1.00 0.00 C ATOM 0 H LEU A 103 -2.762 11.203 -6.778 1.00 0.00 H new ATOM 0 HA LEU A 103 -2.744 13.009 -8.973 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.180 10.015 -9.165 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.458 11.078 -10.357 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.700 11.347 -8.236 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -0.233 9.058 -7.471 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.863 9.577 -6.981 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.658 8.465 -8.356 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.737 9.880 -9.625 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.700 9.306 -10.505 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.193 11.006 -10.642 1.00 0.00 H new ATOM 1551 N GLN A 104 -5.587 11.943 -8.027 1.00 0.00 N ATOM 1552 CA GLN A 104 -7.012 11.706 -8.210 1.00 0.00 C ATOM 1553 C GLN A 104 -7.782 12.451 -7.126 1.00 0.00 C ATOM 1554 O GLN A 104 -7.403 12.436 -5.955 1.00 0.00 O ATOM 1555 CB GLN A 104 -7.299 10.196 -8.142 1.00 0.00 C ATOM 1556 CG GLN A 104 -6.958 9.433 -9.426 1.00 0.00 C ATOM 1557 CD GLN A 104 -6.849 7.919 -9.223 1.00 0.00 C ATOM 1558 OE1 GLN A 104 -5.757 7.374 -9.093 1.00 0.00 O ATOM 1559 NE2 GLN A 104 -7.952 7.190 -9.172 1.00 0.00 N ATOM 0 H GLN A 104 -5.329 12.025 -7.044 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.330 12.072 -9.186 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.732 9.767 -7.316 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.355 10.048 -7.914 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -7.723 9.638 -10.175 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.015 9.808 -9.823 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -8.863 7.636 -9.279 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -7.891 6.182 -9.025 1.00 0.00 H new ATOM 1568 N ARG A 105 -8.871 13.113 -7.510 1.00 0.00 N ATOM 1569 CA ARG A 105 -9.539 14.147 -6.720 1.00 0.00 C ATOM 1570 C ARG A 105 -11.039 14.100 -6.994 1.00 0.00 C ATOM 1571 O ARG A 105 -11.472 14.397 -8.111 1.00 0.00 O ATOM 1572 CB ARG A 105 -8.962 15.521 -7.098 1.00 0.00 C ATOM 1573 CG ARG A 105 -7.651 15.848 -6.378 1.00 0.00 C ATOM 1574 CD ARG A 105 -7.133 17.199 -6.866 1.00 0.00 C ATOM 1575 NE ARG A 105 -6.217 17.811 -5.894 1.00 0.00 N ATOM 1576 CZ ARG A 105 -6.115 19.120 -5.657 1.00 0.00 C ATOM 1577 NH1 ARG A 105 -6.635 20.004 -6.500 1.00 0.00 N ATOM 1578 NH2 ARG A 105 -5.495 19.518 -4.557 1.00 0.00 N ATOM 0 H ARG A 105 -9.327 12.940 -8.406 1.00 0.00 H new ATOM 0 HA ARG A 105 -9.372 13.975 -5.657 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -8.795 15.553 -8.175 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -9.697 16.292 -6.867 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -7.811 15.874 -5.300 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -6.912 15.070 -6.572 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -6.620 17.070 -7.819 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -7.974 17.868 -7.045 1.00 0.00 H new ATOM 0 HE ARG A 105 -5.613 17.187 -5.359 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -7.119 19.685 -7.339 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -6.551 21.002 -6.308 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -5.108 18.829 -3.912 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -5.405 20.514 -4.354 1.00 0.00 H new ATOM 1592 N ARG A 106 -11.825 13.684 -5.998 1.00 0.00 N ATOM 1593 CA ARG A 106 -13.278 13.848 -5.998 1.00 0.00 C ATOM 1594 C ARG A 106 -13.621 15.249 -5.483 1.00 0.00 C ATOM 1595 O ARG A 106 -12.722 15.904 -4.965 1.00 0.00 O ATOM 1596 CB ARG A 106 -13.925 12.752 -5.131 1.00 0.00 C ATOM 1597 CG ARG A 106 -13.726 12.914 -3.606 1.00 0.00 C ATOM 1598 CD ARG A 106 -15.054 12.852 -2.831 1.00 0.00 C ATOM 1599 NE ARG A 106 -15.060 13.736 -1.657 1.00 0.00 N ATOM 1600 CZ ARG A 106 -14.384 13.611 -0.517 1.00 0.00 C ATOM 1601 NH1 ARG A 106 -13.622 12.551 -0.287 1.00 0.00 N ATOM 1602 NH2 ARG A 106 -14.480 14.566 0.393 1.00 0.00 N ATOM 0 H ARG A 106 -11.467 13.220 -5.163 1.00 0.00 H new ATOM 0 HA ARG A 106 -13.671 13.746 -7.009 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -14.994 12.729 -5.341 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -13.520 11.786 -5.433 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -13.060 12.130 -3.244 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -13.236 13.867 -3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -15.872 13.129 -3.495 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -15.237 11.826 -2.511 1.00 0.00 H new ATOM 0 HE ARG A 106 -15.663 14.556 -1.725 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -13.547 11.815 -0.989 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -13.111 12.471 0.592 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -15.065 15.382 0.216 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -13.969 14.486 1.272 1.00 0.00 H new ATOM 1616 N GLU A 107 -14.904 15.630 -5.501 1.00 0.00 N ATOM 1617 CA GLU A 107 -15.468 16.820 -4.840 1.00 0.00 C ATOM 1618 C GLU A 107 -14.562 18.036 -5.090 1.00 0.00 C ATOM 1619 O GLU A 107 -13.945 18.597 -4.181 1.00 0.00 O ATOM 1620 CB GLU A 107 -15.812 16.469 -3.379 1.00 0.00 C ATOM 1621 CG GLU A 107 -16.876 17.353 -2.694 1.00 0.00 C ATOM 1622 CD GLU A 107 -17.356 16.756 -1.354 1.00 0.00 C ATOM 1623 OE1 GLU A 107 -16.648 15.882 -0.796 1.00 0.00 O ATOM 1624 OE2 GLU A 107 -18.484 17.060 -0.892 1.00 0.00 O ATOM 0 H GLU A 107 -15.614 15.093 -6.000 1.00 0.00 H new ATOM 0 HA GLU A 107 -16.421 17.131 -5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -16.155 15.435 -3.348 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -14.896 16.519 -2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -16.463 18.347 -2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -17.729 17.475 -3.362 1.00 0.00 H new ATOM 1631 N TYR A 108 -14.409 18.344 -6.383 1.00 0.00 N ATOM 1632 CA TYR A 108 -13.515 19.374 -6.926 1.00 0.00 C ATOM 1633 C TYR A 108 -14.235 20.630 -7.434 1.00 0.00 C ATOM 1634 O TYR A 108 -13.578 21.589 -7.849 1.00 0.00 O ATOM 1635 CB TYR A 108 -12.447 18.805 -7.871 1.00 0.00 C ATOM 1636 CG TYR A 108 -12.811 18.872 -9.330 1.00 0.00 C ATOM 1637 CD1 TYR A 108 -14.130 18.602 -9.652 1.00 0.00 C ATOM 1638 CD2 TYR A 108 -11.911 19.297 -10.317 1.00 0.00 C ATOM 1639 CE1 TYR A 108 -14.576 18.676 -10.981 1.00 0.00 C ATOM 1640 CE2 TYR A 108 -12.338 19.408 -11.657 1.00 0.00 C ATOM 1641 CZ TYR A 108 -13.673 19.072 -11.995 1.00 0.00 C ATOM 1642 OH TYR A 108 -14.112 19.160 -13.280 1.00 0.00 O ATOM 0 H TYR A 108 -14.930 17.859 -7.114 1.00 0.00 H new ATOM 0 HA TYR A 108 -12.949 19.749 -6.073 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.515 19.348 -7.716 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.258 17.765 -7.603 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -14.825 18.331 -8.871 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.892 19.539 -10.052 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -15.599 18.433 -11.227 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -11.653 19.747 -12.420 1.00 0.00 H new ATOM 0 HH TYR A 108 -13.374 19.445 -13.859 1.00 0.00 H new ATOM 1652 N PHE A 109 -15.571 20.596 -7.423 1.00 0.00 N ATOM 1653 CA PHE A 109 -16.423 21.748 -7.688 1.00 0.00 C ATOM 1654 C PHE A 109 -16.471 22.652 -6.460 1.00 0.00 C ATOM 1655 O PHE A 109 -15.597 22.525 -5.571 1.00 0.00 O ATOM 1656 CB PHE A 109 -17.809 21.316 -8.210 1.00 0.00 C ATOM 1657 CG PHE A 109 -18.554 20.239 -7.435 1.00 0.00 C ATOM 1658 CD1 PHE A 109 -19.024 20.485 -6.132 1.00 0.00 C ATOM 1659 CD2 PHE A 109 -18.825 18.995 -8.041 1.00 0.00 C ATOM 1660 CE1 PHE A 109 -19.700 19.478 -5.417 1.00 0.00 C ATOM 1661 CE2 PHE A 109 -19.539 18.003 -7.343 1.00 0.00 C ATOM 1662 CZ PHE A 109 -19.971 18.242 -6.027 1.00 0.00 C ATOM 0 H PHE A 109 -16.097 19.745 -7.225 1.00 0.00 H new ATOM 0 HA PHE A 109 -15.994 22.343 -8.494 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -18.444 22.201 -8.248 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -17.687 20.967 -9.235 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -18.865 21.452 -5.678 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -18.483 18.802 -9.047 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -20.011 19.656 -4.398 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -19.755 17.058 -7.819 1.00 0.00 H new ATOM 0 HZ PHE A 109 -20.510 17.478 -5.486 1.00 0.00 H new TER 1672 PHE A 109