USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 669 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 38 TYR OH : rot -157:sc= 0.267 USER MOD Set 1.2: A 39 GLN : amide:sc= -5.13! C(o=-5.1!,f=-9.1!) USER MOD Set 1.3: A 84 GLN : amide:sc= -0.199 K(o=-5.1,f=-6) USER MOD Set 2.1: A 57 MET CE :methyl 149:sc= -1.62! (180deg=-2.68!) USER MOD Set 2.2: A 65 CYS SG : rot -67:sc= 0.617 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0851 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 40:sc= 0.505 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl -174:sc= -0.483 (180deg=-0.689) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 25 GLN : amide:sc= -0.0116 X(o=-0.012,f=-0.19) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -1.93 K(o=-1.9,f=-3!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.14) USER MOD Single : A 44 LYS NZ :NH3+ 156:sc= -0.0584 (180deg=-0.379) USER MOD Single : A 45 TYR OH : rot 165:sc= -0.597 USER MOD Single : A 48 SER OG : rot 125:sc= 0.164 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 21:sc= 0.482 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot -90:sc= -0.525 USER MOD Single : A 64 ASN : amide:sc= -0.245 K(o=-0.25,f=-1) USER MOD Single : A 80 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.3) USER MOD Single : A 82 HIS : no HD1:sc= -0.186 X(o=-0.19,f=-0.11) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.04 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.433 40.843 15.331 1.00 0.00 N ATOM 2 CA GLY A 1 16.172 40.176 15.063 1.00 0.00 C ATOM 3 C GLY A 1 16.347 38.916 14.238 1.00 0.00 C ATOM 4 O GLY A 1 17.465 38.436 14.054 1.00 0.00 O ATOM 0 H1 GLY A 1 17.554 40.957 16.358 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.215 40.272 14.951 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.434 41.778 14.876 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.690 39.924 16.007 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.506 40.861 14.538 1.00 0.00 H new ATOM 8 N SER A 2 15.238 38.378 13.740 1.00 0.00 N ATOM 9 CA SER A 2 15.273 37.164 12.934 1.00 0.00 C ATOM 10 C SER A 2 15.907 36.014 13.712 1.00 0.00 C ATOM 11 O SER A 2 16.825 35.354 13.226 1.00 0.00 O ATOM 12 CB SER A 2 16.049 37.408 11.639 1.00 0.00 C ATOM 13 OG SER A 2 15.377 38.340 10.809 1.00 0.00 O ATOM 0 H SER A 2 14.304 38.764 13.881 1.00 0.00 H new ATOM 0 HA SER A 2 14.247 36.891 12.688 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.047 37.779 11.874 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.176 36.466 11.105 1.00 0.00 H new ATOM 0 HG SER A 2 15.894 38.480 9.989 1.00 0.00 H new ATOM 19 N SER A 3 15.409 35.781 14.922 1.00 0.00 N ATOM 20 CA SER A 3 15.928 34.714 15.769 1.00 0.00 C ATOM 21 C SER A 3 14.940 34.374 16.881 1.00 0.00 C ATOM 22 O SER A 3 14.360 35.262 17.504 1.00 0.00 O ATOM 23 CB SER A 3 17.273 35.122 16.373 1.00 0.00 C ATOM 24 OG SER A 3 18.351 34.654 15.582 1.00 0.00 O ATOM 0 H SER A 3 14.647 36.317 15.338 1.00 0.00 H new ATOM 0 HA SER A 3 16.070 33.828 15.150 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.323 36.208 16.456 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.358 34.721 17.383 1.00 0.00 H new ATOM 0 HG SER A 3 18.130 34.760 14.633 1.00 0.00 H new ATOM 30 N GLY A 4 14.755 33.080 17.125 1.00 0.00 N ATOM 31 CA GLY A 4 13.838 32.644 18.162 1.00 0.00 C ATOM 32 C GLY A 4 14.554 32.043 19.354 1.00 0.00 C ATOM 33 O GLY A 4 15.770 32.177 19.489 1.00 0.00 O ATOM 0 H GLY A 4 15.224 32.326 16.623 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.238 33.492 18.492 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.149 31.908 17.747 1.00 0.00 H new ATOM 37 N SER A 5 13.798 31.379 20.224 1.00 0.00 N ATOM 38 CA SER A 5 14.367 30.760 21.414 1.00 0.00 C ATOM 39 C SER A 5 14.050 29.268 21.455 1.00 0.00 C ATOM 40 O SER A 5 13.297 28.759 20.624 1.00 0.00 O ATOM 41 CB SER A 5 13.831 31.440 22.675 1.00 0.00 C ATOM 42 OG SER A 5 14.318 32.767 22.785 1.00 0.00 O ATOM 0 H SER A 5 12.790 31.257 20.126 1.00 0.00 H new ATOM 0 HA SER A 5 15.449 30.884 21.375 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.741 31.450 22.651 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.126 30.867 23.554 1.00 0.00 H new ATOM 0 HG SER A 5 13.960 33.181 23.598 1.00 0.00 H new ATOM 48 N SER A 6 14.631 28.572 22.427 1.00 0.00 N ATOM 49 CA SER A 6 14.415 27.137 22.575 1.00 0.00 C ATOM 50 C SER A 6 14.911 26.384 21.344 1.00 0.00 C ATOM 51 O SER A 6 15.327 26.989 20.357 1.00 0.00 O ATOM 52 CB SER A 6 12.931 26.845 22.802 1.00 0.00 C ATOM 53 OG SER A 6 12.728 26.159 24.025 1.00 0.00 O ATOM 0 H SER A 6 15.255 28.978 23.124 1.00 0.00 H new ATOM 0 HA SER A 6 14.982 26.796 23.441 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.370 27.780 22.808 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.544 26.246 21.977 1.00 0.00 H new ATOM 0 HG SER A 6 11.771 25.985 24.148 1.00 0.00 H new ATOM 59 N GLY A 7 14.863 25.057 21.412 1.00 0.00 N ATOM 60 CA GLY A 7 15.311 24.241 20.298 1.00 0.00 C ATOM 61 C GLY A 7 14.375 23.082 20.015 1.00 0.00 C ATOM 62 O GLY A 7 14.801 22.039 19.522 1.00 0.00 O ATOM 0 H GLY A 7 14.522 24.533 22.218 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.394 24.863 19.407 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.308 23.855 20.512 1.00 0.00 H new ATOM 66 N GLN A 8 13.097 23.266 20.330 1.00 0.00 N ATOM 67 CA GLN A 8 12.099 22.225 20.109 1.00 0.00 C ATOM 68 C GLN A 8 12.536 20.908 20.742 1.00 0.00 C ATOM 69 O GLN A 8 12.809 19.933 20.043 1.00 0.00 O ATOM 70 CB GLN A 8 11.859 22.030 18.611 1.00 0.00 C ATOM 71 CG GLN A 8 11.058 23.153 17.972 1.00 0.00 C ATOM 72 CD GLN A 8 9.624 22.755 17.682 1.00 0.00 C ATOM 73 OE1 GLN A 8 8.822 22.572 18.598 1.00 0.00 O ATOM 74 NE2 GLN A 8 9.293 22.620 16.403 1.00 0.00 N ATOM 0 H GLN A 8 12.728 24.125 20.738 1.00 0.00 H new ATOM 0 HA GLN A 8 11.169 22.542 20.581 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.821 21.948 18.105 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.335 21.087 18.455 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.064 24.020 18.633 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.542 23.456 17.044 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.990 22.782 15.676 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.342 22.355 16.148 1.00 0.00 H new ATOM 83 N MET A 9 12.601 20.888 22.069 1.00 0.00 N ATOM 84 CA MET A 9 13.005 19.690 22.796 1.00 0.00 C ATOM 85 C MET A 9 12.093 19.449 23.995 1.00 0.00 C ATOM 86 O MET A 9 11.896 20.336 24.825 1.00 0.00 O ATOM 87 CB MET A 9 14.457 19.815 23.261 1.00 0.00 C ATOM 88 CG MET A 9 15.456 19.178 22.309 1.00 0.00 C ATOM 89 SD MET A 9 16.520 17.971 23.124 1.00 0.00 S ATOM 90 CE MET A 9 15.499 16.503 23.032 1.00 0.00 C ATOM 0 H MET A 9 12.379 21.687 22.663 1.00 0.00 H new ATOM 0 HA MET A 9 12.920 18.839 22.120 1.00 0.00 H new ATOM 0 HB2 MET A 9 14.702 20.870 23.380 1.00 0.00 H new ATOM 0 HB3 MET A 9 14.557 19.352 24.243 1.00 0.00 H new ATOM 0 HG2 MET A 9 14.918 18.691 21.496 1.00 0.00 H new ATOM 0 HG3 MET A 9 16.073 19.957 21.861 1.00 0.00 H new ATOM 0 HE1 MET A 9 15.973 15.695 23.588 1.00 0.00 H new ATOM 0 HE2 MET A 9 14.520 16.713 23.462 1.00 0.00 H new ATOM 0 HE3 MET A 9 15.382 16.206 21.990 1.00 0.00 H new ATOM 100 N SER A 10 11.540 18.243 24.080 1.00 0.00 N ATOM 101 CA SER A 10 10.647 17.887 25.176 1.00 0.00 C ATOM 102 C SER A 10 11.015 16.525 25.756 1.00 0.00 C ATOM 103 O SER A 10 10.884 15.497 25.090 1.00 0.00 O ATOM 104 CB SER A 10 9.195 17.873 24.694 1.00 0.00 C ATOM 105 OG SER A 10 8.951 18.928 23.780 1.00 0.00 O ATOM 0 H SER A 10 11.695 17.496 23.403 1.00 0.00 H new ATOM 0 HA SER A 10 10.756 18.637 25.959 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.976 16.917 24.218 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.524 17.965 25.548 1.00 0.00 H new ATOM 0 HG SER A 10 8.017 18.896 23.486 1.00 0.00 H new ATOM 111 N LEU A 11 11.475 16.526 27.002 1.00 0.00 N ATOM 112 CA LEU A 11 11.863 15.291 27.675 1.00 0.00 C ATOM 113 C LEU A 11 11.582 15.375 29.172 1.00 0.00 C ATOM 114 O LEU A 11 12.454 15.089 29.993 1.00 0.00 O ATOM 115 CB LEU A 11 13.346 15.001 27.438 1.00 0.00 C ATOM 116 CG LEU A 11 14.295 16.189 27.598 1.00 0.00 C ATOM 117 CD1 LEU A 11 15.527 15.784 28.393 1.00 0.00 C ATOM 118 CD2 LEU A 11 14.694 16.741 26.237 1.00 0.00 C ATOM 0 H LEU A 11 11.589 17.368 27.567 1.00 0.00 H new ATOM 0 HA LEU A 11 11.269 14.478 27.258 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.657 14.217 28.128 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.461 14.602 26.430 1.00 0.00 H new ATOM 0 HG LEU A 11 13.775 16.974 28.147 1.00 0.00 H new ATOM 0 HD11 LEU A 11 16.191 16.642 28.497 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.225 15.437 29.381 1.00 0.00 H new ATOM 0 HD13 LEU A 11 16.049 14.982 27.871 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.369 17.586 26.371 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.196 15.963 25.662 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.803 17.070 25.702 1.00 0.00 H new ATOM 130 N GLU A 12 10.360 15.767 29.519 1.00 0.00 N ATOM 131 CA GLU A 12 9.966 15.887 30.918 1.00 0.00 C ATOM 132 C GLU A 12 9.234 14.632 31.386 1.00 0.00 C ATOM 133 O GLU A 12 9.754 13.861 32.191 1.00 0.00 O ATOM 134 CB GLU A 12 9.075 17.115 31.116 1.00 0.00 C ATOM 135 CG GLU A 12 9.850 18.392 31.391 1.00 0.00 C ATOM 136 CD GLU A 12 9.001 19.637 31.228 1.00 0.00 C ATOM 137 OE1 GLU A 12 7.915 19.700 31.841 1.00 0.00 O ATOM 138 OE2 GLU A 12 9.422 20.549 30.486 1.00 0.00 O ATOM 0 H GLU A 12 9.627 16.007 28.852 1.00 0.00 H new ATOM 0 HA GLU A 12 10.870 16.003 31.516 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.463 17.256 30.225 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.393 16.928 31.945 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.249 18.359 32.405 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.703 18.448 30.715 1.00 0.00 H new ATOM 145 N GLY A 13 8.022 14.436 30.875 1.00 0.00 N ATOM 146 CA GLY A 13 7.237 13.275 31.253 1.00 0.00 C ATOM 147 C GLY A 13 5.745 13.534 31.177 1.00 0.00 C ATOM 148 O GLY A 13 5.194 14.279 31.988 1.00 0.00 O ATOM 0 H GLY A 13 7.570 15.060 30.207 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.491 12.440 30.600 1.00 0.00 H new ATOM 0 HA3 GLY A 13 7.500 12.977 32.268 1.00 0.00 H new ATOM 152 N THR A 14 5.088 12.919 30.198 1.00 0.00 N ATOM 153 CA THR A 14 3.652 13.089 30.017 1.00 0.00 C ATOM 154 C THR A 14 3.073 11.981 29.144 1.00 0.00 C ATOM 155 O THR A 14 3.590 11.696 28.065 1.00 0.00 O ATOM 156 CB THR A 14 3.324 14.452 29.381 1.00 0.00 C ATOM 157 OG1 THR A 14 1.905 14.614 29.274 1.00 0.00 O ATOM 158 CG2 THR A 14 3.959 14.575 28.004 1.00 0.00 C ATOM 0 H THR A 14 5.528 12.299 29.518 1.00 0.00 H new ATOM 0 HA THR A 14 3.200 13.041 31.008 1.00 0.00 H new ATOM 0 HB THR A 14 3.731 15.234 30.022 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.705 15.484 28.870 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.713 15.546 27.575 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.041 14.481 28.093 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.578 13.785 27.356 1.00 0.00 H new ATOM 166 N GLU A 15 1.998 11.361 29.619 1.00 0.00 N ATOM 167 CA GLU A 15 1.349 10.284 28.881 1.00 0.00 C ATOM 168 C GLU A 15 -0.141 10.564 28.706 1.00 0.00 C ATOM 169 O GLU A 15 -0.646 11.597 29.146 1.00 0.00 O ATOM 170 CB GLU A 15 1.548 8.949 29.602 1.00 0.00 C ATOM 171 CG GLU A 15 0.758 8.832 30.894 1.00 0.00 C ATOM 172 CD GLU A 15 1.528 8.117 31.987 1.00 0.00 C ATOM 173 OE1 GLU A 15 2.630 8.586 32.341 1.00 0.00 O ATOM 174 OE2 GLU A 15 1.029 7.088 32.488 1.00 0.00 O ATOM 0 H GLU A 15 1.558 11.586 30.511 1.00 0.00 H new ATOM 0 HA GLU A 15 1.808 10.227 27.894 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.258 8.138 28.934 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.608 8.818 29.821 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.485 9.829 31.240 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.171 8.296 30.700 1.00 0.00 H new ATOM 181 N LYS A 16 -0.839 9.636 28.061 1.00 0.00 N ATOM 182 CA LYS A 16 -2.271 9.780 27.828 1.00 0.00 C ATOM 183 C LYS A 16 -2.561 11.003 26.964 1.00 0.00 C ATOM 184 O LYS A 16 -1.644 11.646 26.455 1.00 0.00 O ATOM 185 CB LYS A 16 -3.017 9.894 29.160 1.00 0.00 C ATOM 186 CG LYS A 16 -4.305 9.091 29.206 1.00 0.00 C ATOM 187 CD LYS A 16 -4.106 7.758 29.907 1.00 0.00 C ATOM 188 CE LYS A 16 -5.371 6.914 29.870 1.00 0.00 C ATOM 189 NZ LYS A 16 -5.409 5.922 30.980 1.00 0.00 N ATOM 0 H LYS A 16 -0.436 8.776 27.690 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.619 8.893 27.299 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.361 9.560 29.964 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.245 10.943 29.350 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.074 9.664 29.724 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.664 8.919 28.191 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.290 7.214 29.431 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.813 7.931 30.943 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.243 7.564 29.934 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.432 6.393 28.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.286 5.367 30.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.590 5.285 30.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.377 6.420 31.892 1.00 0.00 H new ATOM 203 N ALA A 17 -3.843 11.320 26.806 1.00 0.00 N ATOM 204 CA ALA A 17 -4.252 12.468 26.007 1.00 0.00 C ATOM 205 C ALA A 17 -4.618 13.652 26.895 1.00 0.00 C ATOM 206 O ALA A 17 -5.291 13.492 27.913 1.00 0.00 O ATOM 207 CB ALA A 17 -5.425 12.096 25.111 1.00 0.00 C ATOM 0 H ALA A 17 -4.615 10.798 27.221 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.410 12.763 25.381 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.720 12.963 24.520 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.131 11.285 24.445 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.265 11.773 25.726 1.00 0.00 H new ATOM 213 N SER A 18 -4.169 14.841 26.504 1.00 0.00 N ATOM 214 CA SER A 18 -4.446 16.052 27.268 1.00 0.00 C ATOM 215 C SER A 18 -5.946 16.317 27.341 1.00 0.00 C ATOM 216 O SER A 18 -6.413 17.068 28.197 1.00 0.00 O ATOM 217 CB SER A 18 -3.735 17.251 26.637 1.00 0.00 C ATOM 218 OG SER A 18 -2.328 17.090 26.680 1.00 0.00 O ATOM 0 H SER A 18 -3.612 14.991 25.663 1.00 0.00 H new ATOM 0 HA SER A 18 -4.071 15.907 28.281 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.059 17.367 25.603 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.016 18.163 27.164 1.00 0.00 H new ATOM 0 HG SER A 18 -1.897 17.868 26.269 1.00 0.00 H new ATOM 224 N TRP A 19 -6.695 15.694 26.439 1.00 0.00 N ATOM 225 CA TRP A 19 -8.144 15.862 26.400 1.00 0.00 C ATOM 226 C TRP A 19 -8.852 14.582 26.830 1.00 0.00 C ATOM 227 O TRP A 19 -10.042 14.401 26.569 1.00 0.00 O ATOM 228 CB TRP A 19 -8.595 16.262 24.995 1.00 0.00 C ATOM 229 CG TRP A 19 -7.944 15.456 23.911 1.00 0.00 C ATOM 230 CD1 TRP A 19 -6.802 15.769 23.230 1.00 0.00 C ATOM 231 CD2 TRP A 19 -8.399 14.206 23.382 1.00 0.00 C ATOM 232 NE1 TRP A 19 -6.519 14.789 22.310 1.00 0.00 N ATOM 233 CE2 TRP A 19 -7.483 13.818 22.384 1.00 0.00 C ATOM 234 CE3 TRP A 19 -9.488 13.375 23.656 1.00 0.00 C ATOM 235 CZ2 TRP A 19 -7.627 12.637 21.661 1.00 0.00 C ATOM 236 CZ3 TRP A 19 -9.630 12.203 22.937 1.00 0.00 C ATOM 237 CH2 TRP A 19 -8.703 11.843 21.950 1.00 0.00 C ATOM 0 H TRP A 19 -6.324 15.068 25.725 1.00 0.00 H new ATOM 0 HA TRP A 19 -8.411 16.655 27.098 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -9.677 16.149 24.922 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -8.373 17.317 24.836 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.209 16.657 23.391 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -5.721 14.785 21.675 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -10.206 13.644 24.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -6.915 12.358 20.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -10.469 11.554 23.139 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -8.841 10.920 21.406 1.00 0.00 H new ATOM 248 N LEU A 20 -8.114 13.696 27.490 1.00 0.00 N ATOM 249 CA LEU A 20 -8.672 12.432 27.957 1.00 0.00 C ATOM 250 C LEU A 20 -8.922 12.469 29.461 1.00 0.00 C ATOM 251 O LEU A 20 -7.999 12.672 30.249 1.00 0.00 O ATOM 252 CB LEU A 20 -7.729 11.278 27.613 1.00 0.00 C ATOM 253 CG LEU A 20 -8.068 10.487 26.349 1.00 0.00 C ATOM 254 CD1 LEU A 20 -7.010 9.428 26.081 1.00 0.00 C ATOM 255 CD2 LEU A 20 -9.444 9.849 26.472 1.00 0.00 C ATOM 0 H LEU A 20 -7.128 13.830 27.714 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.626 12.276 27.453 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.721 11.679 27.507 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.711 10.587 28.456 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.083 11.177 25.506 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.269 8.876 25.178 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.040 9.908 25.948 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.961 8.740 26.925 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.668 9.290 25.563 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.456 9.172 27.327 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.194 10.627 26.614 1.00 0.00 H new ATOM 267 N GLY A 21 -10.176 12.268 29.853 1.00 0.00 N ATOM 268 CA GLY A 21 -10.524 12.280 31.262 1.00 0.00 C ATOM 269 C GLY A 21 -11.448 13.427 31.621 1.00 0.00 C ATOM 270 O GLY A 21 -12.103 13.402 32.662 1.00 0.00 O ATOM 0 H GLY A 21 -10.957 12.097 29.220 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.003 11.336 31.523 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.614 12.351 31.857 1.00 0.00 H new ATOM 274 N GLU A 22 -11.498 14.437 30.758 1.00 0.00 N ATOM 275 CA GLU A 22 -12.346 15.600 30.992 1.00 0.00 C ATOM 276 C GLU A 22 -13.320 15.805 29.835 1.00 0.00 C ATOM 277 O GLU A 22 -12.976 15.581 28.674 1.00 0.00 O ATOM 278 CB GLU A 22 -11.490 16.854 31.180 1.00 0.00 C ATOM 279 CG GLU A 22 -12.250 18.025 31.778 1.00 0.00 C ATOM 280 CD GLU A 22 -12.669 17.778 33.214 1.00 0.00 C ATOM 281 OE1 GLU A 22 -11.775 17.644 34.077 1.00 0.00 O ATOM 282 OE2 GLU A 22 -13.888 17.718 33.476 1.00 0.00 O ATOM 0 H GLU A 22 -10.962 14.473 29.891 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.920 15.421 31.901 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.644 16.613 31.824 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.080 17.152 30.215 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.627 18.918 31.734 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.136 18.224 31.175 1.00 0.00 H new ATOM 289 N GLN A 23 -14.536 16.231 30.161 1.00 0.00 N ATOM 290 CA GLN A 23 -15.560 16.464 29.149 1.00 0.00 C ATOM 291 C GLN A 23 -15.101 17.515 28.143 1.00 0.00 C ATOM 292 O GLN A 23 -14.189 18.301 28.401 1.00 0.00 O ATOM 293 CB GLN A 23 -16.866 16.909 29.809 1.00 0.00 C ATOM 294 CG GLN A 23 -17.765 15.753 30.219 1.00 0.00 C ATOM 295 CD GLN A 23 -18.973 16.207 31.015 1.00 0.00 C ATOM 296 OE1 GLN A 23 -19.301 17.394 31.044 1.00 0.00 O ATOM 297 NE2 GLN A 23 -19.642 15.263 31.666 1.00 0.00 N ATOM 0 H GLN A 23 -14.836 16.422 31.117 1.00 0.00 H new ATOM 0 HA GLN A 23 -15.730 15.528 28.617 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -16.633 17.507 30.690 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -17.410 17.555 29.120 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -18.100 15.224 29.327 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -17.189 15.043 30.813 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -19.334 14.292 31.614 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -20.464 15.509 32.218 1.00 0.00 H new ATOM 306 N PRO A 24 -15.746 17.530 26.967 1.00 0.00 N ATOM 307 CA PRO A 24 -15.422 18.479 25.898 1.00 0.00 C ATOM 308 C PRO A 24 -15.824 19.908 26.249 1.00 0.00 C ATOM 309 O PRO A 24 -15.484 20.851 25.536 1.00 0.00 O ATOM 310 CB PRO A 24 -16.241 17.970 24.710 1.00 0.00 C ATOM 311 CG PRO A 24 -17.380 17.231 25.324 1.00 0.00 C ATOM 312 CD PRO A 24 -16.843 16.623 26.591 1.00 0.00 C ATOM 0 HA PRO A 24 -14.350 18.525 25.706 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.592 18.794 24.089 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.646 17.319 24.069 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.212 17.902 25.535 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.755 16.461 24.650 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.606 16.572 27.367 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.486 15.606 26.429 1.00 0.00 H new ATOM 320 N GLN A 25 -16.550 20.059 27.353 1.00 0.00 N ATOM 321 CA GLN A 25 -16.998 21.373 27.797 1.00 0.00 C ATOM 322 C GLN A 25 -15.918 22.068 28.619 1.00 0.00 C ATOM 323 O GLN A 25 -15.888 23.295 28.715 1.00 0.00 O ATOM 324 CB GLN A 25 -18.280 21.246 28.622 1.00 0.00 C ATOM 325 CG GLN A 25 -19.332 20.357 27.978 1.00 0.00 C ATOM 326 CD GLN A 25 -20.724 20.952 28.053 1.00 0.00 C ATOM 327 OE1 GLN A 25 -20.945 22.096 27.654 1.00 0.00 O ATOM 328 NE2 GLN A 25 -21.673 20.177 28.565 1.00 0.00 N ATOM 0 H GLN A 25 -16.840 19.288 27.955 1.00 0.00 H new ATOM 0 HA GLN A 25 -17.201 21.977 26.913 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.031 20.847 29.605 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.702 22.239 28.778 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -19.069 20.188 26.934 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.330 19.384 28.469 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.446 19.235 28.883 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -22.629 20.524 28.640 1.00 0.00 H new ATOM 337 N PHE A 26 -15.031 21.275 29.212 1.00 0.00 N ATOM 338 CA PHE A 26 -13.949 21.814 30.028 1.00 0.00 C ATOM 339 C PHE A 26 -12.598 21.596 29.352 1.00 0.00 C ATOM 340 O PHE A 26 -11.641 21.151 29.985 1.00 0.00 O ATOM 341 CB PHE A 26 -13.951 21.160 31.412 1.00 0.00 C ATOM 342 CG PHE A 26 -15.262 21.289 32.134 1.00 0.00 C ATOM 343 CD1 PHE A 26 -16.300 20.408 31.875 1.00 0.00 C ATOM 344 CD2 PHE A 26 -15.456 22.290 33.071 1.00 0.00 C ATOM 345 CE1 PHE A 26 -17.507 20.525 32.537 1.00 0.00 C ATOM 346 CE2 PHE A 26 -16.661 22.411 33.737 1.00 0.00 C ATOM 347 CZ PHE A 26 -17.687 21.527 33.471 1.00 0.00 C ATOM 0 H PHE A 26 -15.040 20.257 29.143 1.00 0.00 H new ATOM 0 HA PHE A 26 -14.111 22.886 30.140 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.706 20.103 31.306 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.165 21.610 32.019 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.164 19.621 31.148 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.656 22.984 33.284 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -18.309 19.834 32.325 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.800 23.197 34.465 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.629 21.618 33.992 1.00 0.00 H new ATOM 357 N TRP A 27 -12.530 21.913 28.064 1.00 0.00 N ATOM 358 CA TRP A 27 -11.298 21.751 27.302 1.00 0.00 C ATOM 359 C TRP A 27 -10.546 23.074 27.196 1.00 0.00 C ATOM 360 O TRP A 27 -11.123 24.143 27.394 1.00 0.00 O ATOM 361 CB TRP A 27 -11.605 21.212 25.904 1.00 0.00 C ATOM 362 CG TRP A 27 -11.747 19.720 25.861 1.00 0.00 C ATOM 363 CD1 TRP A 27 -11.759 18.867 26.927 1.00 0.00 C ATOM 364 CD2 TRP A 27 -11.894 18.907 24.692 1.00 0.00 C ATOM 365 NE1 TRP A 27 -11.905 17.572 26.491 1.00 0.00 N ATOM 366 CE2 TRP A 27 -11.990 17.570 25.124 1.00 0.00 C ATOM 367 CE3 TRP A 27 -11.955 19.178 23.322 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -12.144 16.509 24.235 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -12.107 18.124 22.441 1.00 0.00 C ATOM 370 CH2 TRP A 27 -12.201 16.804 22.900 1.00 0.00 C ATOM 0 H TRP A 27 -13.313 22.284 27.526 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.666 21.036 27.829 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -12.526 21.668 25.541 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -10.809 21.514 25.223 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -11.667 19.166 27.961 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -11.944 16.746 27.088 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -11.885 20.193 22.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -12.216 15.490 24.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.154 18.322 21.380 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.321 16.003 22.186 1.00 0.00 H new ATOM 381 N SER A 28 -9.257 22.994 26.882 1.00 0.00 N ATOM 382 CA SER A 28 -8.426 24.185 26.753 1.00 0.00 C ATOM 383 C SER A 28 -8.135 24.488 25.286 1.00 0.00 C ATOM 384 O SER A 28 -8.339 23.644 24.413 1.00 0.00 O ATOM 385 CB SER A 28 -7.114 24.003 27.518 1.00 0.00 C ATOM 386 OG SER A 28 -7.144 24.694 28.754 1.00 0.00 O ATOM 0 H SER A 28 -8.765 22.117 26.712 1.00 0.00 H new ATOM 0 HA SER A 28 -8.972 25.027 27.179 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.937 22.942 27.695 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.284 24.368 26.914 1.00 0.00 H new ATOM 0 HG SER A 28 -6.295 24.560 29.224 1.00 0.00 H new ATOM 392 N LYS A 29 -7.658 25.700 25.023 1.00 0.00 N ATOM 393 CA LYS A 29 -7.337 26.117 23.663 1.00 0.00 C ATOM 394 C LYS A 29 -6.359 25.144 23.012 1.00 0.00 C ATOM 395 O LYS A 29 -6.326 25.005 21.788 1.00 0.00 O ATOM 396 CB LYS A 29 -6.742 27.527 23.667 1.00 0.00 C ATOM 397 CG LYS A 29 -7.675 28.579 24.241 1.00 0.00 C ATOM 398 CD LYS A 29 -6.911 29.638 25.019 1.00 0.00 C ATOM 399 CE LYS A 29 -7.841 30.715 25.555 1.00 0.00 C ATOM 400 NZ LYS A 29 -7.269 32.078 25.383 1.00 0.00 N ATOM 0 H LYS A 29 -7.485 26.411 25.734 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.260 26.120 23.083 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.817 27.520 24.244 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.479 27.804 22.646 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.233 29.052 23.433 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.405 28.102 24.895 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.379 29.170 25.847 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.159 30.093 24.374 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.800 30.656 25.040 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.035 30.534 26.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.933 32.783 25.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.366 32.143 25.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.107 32.262 24.372 1.00 0.00 H new ATOM 414 N THR A 30 -5.565 24.469 23.837 1.00 0.00 N ATOM 415 CA THR A 30 -4.587 23.508 23.341 1.00 0.00 C ATOM 416 C THR A 30 -5.217 22.133 23.147 1.00 0.00 C ATOM 417 O THR A 30 -5.004 21.483 22.125 1.00 0.00 O ATOM 418 CB THR A 30 -3.389 23.380 24.300 1.00 0.00 C ATOM 419 OG1 THR A 30 -3.181 24.617 24.992 1.00 0.00 O ATOM 420 CG2 THR A 30 -2.126 23.000 23.541 1.00 0.00 C ATOM 0 H THR A 30 -5.580 24.570 24.852 1.00 0.00 H new ATOM 0 HA THR A 30 -4.235 23.883 22.380 1.00 0.00 H new ATOM 0 HB THR A 30 -3.612 22.593 25.021 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.419 24.527 25.601 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.293 22.915 24.239 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.277 22.044 23.039 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.902 23.768 22.800 1.00 0.00 H new ATOM 428 N GLN A 31 -5.993 21.698 24.134 1.00 0.00 N ATOM 429 CA GLN A 31 -6.653 20.400 24.071 1.00 0.00 C ATOM 430 C GLN A 31 -7.458 20.261 22.783 1.00 0.00 C ATOM 431 O GLN A 31 -7.377 19.243 22.095 1.00 0.00 O ATOM 432 CB GLN A 31 -7.570 20.210 25.281 1.00 0.00 C ATOM 433 CG GLN A 31 -6.849 20.331 26.614 1.00 0.00 C ATOM 434 CD GLN A 31 -7.784 20.181 27.798 1.00 0.00 C ATOM 435 OE1 GLN A 31 -7.736 20.966 28.746 1.00 0.00 O ATOM 436 NE2 GLN A 31 -8.643 19.169 27.750 1.00 0.00 N ATOM 0 H GLN A 31 -6.180 22.225 24.987 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.883 19.629 24.083 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.369 20.950 25.241 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.041 19.229 25.219 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.070 19.571 26.672 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.353 21.300 26.668 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.649 18.543 26.945 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.297 19.018 28.518 1.00 0.00 H new ATOM 445 N VAL A 32 -8.234 21.291 22.461 1.00 0.00 N ATOM 446 CA VAL A 32 -9.052 21.284 21.254 1.00 0.00 C ATOM 447 C VAL A 32 -8.218 20.940 20.026 1.00 0.00 C ATOM 448 O VAL A 32 -8.444 19.919 19.374 1.00 0.00 O ATOM 449 CB VAL A 32 -9.736 22.647 21.032 1.00 0.00 C ATOM 450 CG1 VAL A 32 -10.650 22.594 19.818 1.00 0.00 C ATOM 451 CG2 VAL A 32 -10.509 23.063 22.274 1.00 0.00 C ATOM 0 H VAL A 32 -8.313 22.141 23.019 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.817 20.520 21.395 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.965 23.395 20.844 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.124 23.565 19.677 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -10.065 22.344 18.933 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.417 21.835 19.973 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.986 24.028 22.100 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.271 22.316 22.495 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.825 23.144 23.118 1.00 0.00 H new ATOM 461 N LEU A 33 -7.252 21.798 19.714 1.00 0.00 N ATOM 462 CA LEU A 33 -6.382 21.585 18.563 1.00 0.00 C ATOM 463 C LEU A 33 -5.618 20.271 18.693 1.00 0.00 C ATOM 464 O LEU A 33 -5.242 19.658 17.694 1.00 0.00 O ATOM 465 CB LEU A 33 -5.399 22.748 18.420 1.00 0.00 C ATOM 466 CG LEU A 33 -6.018 24.124 18.173 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.069 25.224 18.622 1.00 0.00 C ATOM 468 CD2 LEU A 33 -6.375 24.292 16.703 1.00 0.00 C ATOM 0 H LEU A 33 -7.052 22.647 20.242 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.007 21.534 17.671 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.795 22.801 19.326 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.720 22.524 17.597 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.934 24.200 18.760 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.526 26.196 18.439 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.863 25.115 19.687 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.136 25.150 18.063 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.814 25.277 16.546 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.474 24.195 16.097 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.092 23.524 16.413 1.00 0.00 H new ATOM 480 N ASP A 34 -5.395 19.843 19.931 1.00 0.00 N ATOM 481 CA ASP A 34 -4.678 18.600 20.192 1.00 0.00 C ATOM 482 C ASP A 34 -5.551 17.392 19.869 1.00 0.00 C ATOM 483 O ASP A 34 -5.046 16.320 19.533 1.00 0.00 O ATOM 484 CB ASP A 34 -4.229 18.543 21.653 1.00 0.00 C ATOM 485 CG ASP A 34 -2.867 19.174 21.864 1.00 0.00 C ATOM 486 OD1 ASP A 34 -2.697 20.355 21.497 1.00 0.00 O ATOM 487 OD2 ASP A 34 -1.970 18.486 22.397 1.00 0.00 O ATOM 0 H ASP A 34 -5.700 20.338 20.769 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.799 18.574 19.548 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.963 19.053 22.276 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.200 17.504 21.981 1.00 0.00 H new ATOM 492 N TRP A 35 -6.863 17.571 19.972 1.00 0.00 N ATOM 493 CA TRP A 35 -7.806 16.495 19.691 1.00 0.00 C ATOM 494 C TRP A 35 -8.000 16.319 18.189 1.00 0.00 C ATOM 495 O TRP A 35 -8.240 15.210 17.711 1.00 0.00 O ATOM 496 CB TRP A 35 -9.151 16.780 20.362 1.00 0.00 C ATOM 497 CG TRP A 35 -10.232 15.823 19.956 1.00 0.00 C ATOM 498 CD1 TRP A 35 -10.407 14.546 20.407 1.00 0.00 C ATOM 499 CD2 TRP A 35 -11.284 16.067 19.016 1.00 0.00 C ATOM 500 NE1 TRP A 35 -11.505 13.981 19.805 1.00 0.00 N ATOM 501 CE2 TRP A 35 -12.061 14.894 18.948 1.00 0.00 C ATOM 502 CE3 TRP A 35 -11.646 17.162 18.228 1.00 0.00 C ATOM 503 CZ2 TRP A 35 -13.176 14.788 18.121 1.00 0.00 C ATOM 504 CZ3 TRP A 35 -12.753 17.055 17.408 1.00 0.00 C ATOM 505 CH2 TRP A 35 -13.508 15.876 17.360 1.00 0.00 C ATOM 0 H TRP A 35 -7.298 18.451 20.248 1.00 0.00 H new ATOM 0 HA TRP A 35 -7.395 15.570 20.096 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -9.025 16.737 21.444 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -9.463 17.795 20.117 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.775 14.053 21.131 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -11.850 13.035 19.969 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -11.071 18.076 18.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -13.758 13.879 18.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -13.041 17.895 16.793 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -14.369 15.825 16.710 1.00 0.00 H new ATOM 516 N ILE A 36 -7.894 17.418 17.451 1.00 0.00 N ATOM 517 CA ILE A 36 -8.056 17.384 16.002 1.00 0.00 C ATOM 518 C ILE A 36 -7.011 16.483 15.354 1.00 0.00 C ATOM 519 O ILE A 36 -7.343 15.601 14.560 1.00 0.00 O ATOM 520 CB ILE A 36 -7.954 18.793 15.391 1.00 0.00 C ATOM 521 CG1 ILE A 36 -8.973 19.731 16.041 1.00 0.00 C ATOM 522 CG2 ILE A 36 -8.165 18.734 13.885 1.00 0.00 C ATOM 523 CD1 ILE A 36 -8.922 21.144 15.504 1.00 0.00 C ATOM 0 H ILE A 36 -7.697 18.343 17.832 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.050 16.983 15.804 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.955 19.184 15.583 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.974 19.329 15.888 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.800 19.753 17.117 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.090 19.738 13.467 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.404 18.096 13.436 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.153 18.325 13.672 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.671 21.753 16.010 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.932 21.565 15.681 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.125 21.134 14.433 1.00 0.00 H new ATOM 535 N SER A 37 -5.747 16.708 15.697 1.00 0.00 N ATOM 536 CA SER A 37 -4.652 15.918 15.147 1.00 0.00 C ATOM 537 C SER A 37 -4.926 14.426 15.307 1.00 0.00 C ATOM 538 O SER A 37 -4.581 13.624 14.439 1.00 0.00 O ATOM 539 CB SER A 37 -3.336 16.283 15.835 1.00 0.00 C ATOM 540 OG SER A 37 -2.310 15.368 15.491 1.00 0.00 O ATOM 0 H SER A 37 -5.456 17.432 16.354 1.00 0.00 H new ATOM 0 HA SER A 37 -4.572 16.143 14.084 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.039 17.292 15.548 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.476 16.288 16.916 1.00 0.00 H new ATOM 0 HG SER A 37 -1.479 15.624 15.942 1.00 0.00 H new ATOM 546 N TYR A 38 -5.548 14.061 16.422 1.00 0.00 N ATOM 547 CA TYR A 38 -5.867 12.665 16.698 1.00 0.00 C ATOM 548 C TYR A 38 -6.817 12.105 15.644 1.00 0.00 C ATOM 549 O TYR A 38 -6.613 11.005 15.131 1.00 0.00 O ATOM 550 CB TYR A 38 -6.490 12.527 18.088 1.00 0.00 C ATOM 551 CG TYR A 38 -7.618 11.522 18.149 1.00 0.00 C ATOM 552 CD1 TYR A 38 -7.372 10.163 17.996 1.00 0.00 C ATOM 553 CD2 TYR A 38 -8.929 11.931 18.360 1.00 0.00 C ATOM 554 CE1 TYR A 38 -8.399 9.241 18.050 1.00 0.00 C ATOM 555 CE2 TYR A 38 -9.962 11.016 18.417 1.00 0.00 C ATOM 556 CZ TYR A 38 -9.692 9.672 18.262 1.00 0.00 C ATOM 557 OH TYR A 38 -10.719 8.757 18.317 1.00 0.00 O ATOM 0 H TYR A 38 -5.842 14.712 17.150 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.939 12.093 16.665 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.715 12.234 18.797 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -6.864 13.500 18.408 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.360 9.822 17.832 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.144 12.982 18.482 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.191 8.188 17.927 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.975 11.351 18.582 1.00 0.00 H new ATOM 0 HH TYR A 38 -11.565 9.202 18.101 1.00 0.00 H new ATOM 567 N GLN A 39 -7.857 12.870 15.328 1.00 0.00 N ATOM 568 CA GLN A 39 -8.839 12.451 14.335 1.00 0.00 C ATOM 569 C GLN A 39 -8.293 12.622 12.922 1.00 0.00 C ATOM 570 O GLN A 39 -8.742 11.959 11.987 1.00 0.00 O ATOM 571 CB GLN A 39 -10.132 13.253 14.496 1.00 0.00 C ATOM 572 CG GLN A 39 -11.166 12.569 15.376 1.00 0.00 C ATOM 573 CD GLN A 39 -12.358 12.062 14.589 1.00 0.00 C ATOM 574 OE1 GLN A 39 -12.985 12.810 13.838 1.00 0.00 O ATOM 575 NE2 GLN A 39 -12.678 10.784 14.756 1.00 0.00 N ATOM 0 H GLN A 39 -8.041 13.782 15.745 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.052 11.394 14.496 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.894 14.229 14.920 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.565 13.430 13.511 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.698 11.734 15.898 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.509 13.269 16.138 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.131 10.200 15.388 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.471 10.387 14.252 1.00 0.00 H new ATOM 584 N VAL A 40 -7.321 13.517 12.773 1.00 0.00 N ATOM 585 CA VAL A 40 -6.713 13.775 11.473 1.00 0.00 C ATOM 586 C VAL A 40 -5.722 12.677 11.102 1.00 0.00 C ATOM 587 O VAL A 40 -5.554 12.352 9.927 1.00 0.00 O ATOM 588 CB VAL A 40 -5.988 15.134 11.453 1.00 0.00 C ATOM 589 CG1 VAL A 40 -5.312 15.359 10.109 1.00 0.00 C ATOM 590 CG2 VAL A 40 -6.960 16.261 11.765 1.00 0.00 C ATOM 0 H VAL A 40 -6.938 14.075 13.536 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.522 13.792 10.743 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.217 15.126 12.224 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.805 16.324 10.114 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.584 14.568 9.931 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.062 15.347 9.318 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.431 17.214 11.747 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.755 16.273 11.019 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.392 16.105 12.753 1.00 0.00 H new ATOM 600 N GLU A 41 -5.071 12.110 12.112 1.00 0.00 N ATOM 601 CA GLU A 41 -4.096 11.048 11.891 1.00 0.00 C ATOM 602 C GLU A 41 -4.786 9.692 11.773 1.00 0.00 C ATOM 603 O GLU A 41 -4.263 8.768 11.150 1.00 0.00 O ATOM 604 CB GLU A 41 -3.076 11.016 13.031 1.00 0.00 C ATOM 605 CG GLU A 41 -2.011 9.945 12.865 1.00 0.00 C ATOM 606 CD GLU A 41 -1.469 9.875 11.450 1.00 0.00 C ATOM 607 OE1 GLU A 41 -1.183 10.944 10.872 1.00 0.00 O ATOM 608 OE2 GLU A 41 -1.332 8.752 10.922 1.00 0.00 O ATOM 0 H GLU A 41 -5.200 12.368 13.090 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.577 11.255 10.955 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.592 11.990 13.102 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.601 10.852 13.972 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.191 10.144 13.555 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.430 8.976 13.138 1.00 0.00 H new ATOM 615 N LYS A 42 -5.964 9.580 12.377 1.00 0.00 N ATOM 616 CA LYS A 42 -6.728 8.339 12.341 1.00 0.00 C ATOM 617 C LYS A 42 -7.556 8.246 11.063 1.00 0.00 C ATOM 618 O LYS A 42 -7.672 7.178 10.464 1.00 0.00 O ATOM 619 CB LYS A 42 -7.645 8.244 13.562 1.00 0.00 C ATOM 620 CG LYS A 42 -7.593 6.895 14.259 1.00 0.00 C ATOM 621 CD LYS A 42 -6.888 6.988 15.602 1.00 0.00 C ATOM 622 CE LYS A 42 -5.872 5.869 15.776 1.00 0.00 C ATOM 623 NZ LYS A 42 -6.531 4.547 15.966 1.00 0.00 N ATOM 0 H LYS A 42 -6.411 10.335 12.898 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.023 7.508 12.358 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.370 9.022 14.274 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.671 8.444 13.252 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.606 6.520 14.404 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.075 6.176 13.624 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.387 7.952 15.685 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.624 6.941 16.405 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.222 5.829 14.902 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.237 6.085 16.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.805 3.811 16.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.131 4.577 16.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.117 4.329 15.135 1.00 0.00 H new ATOM 637 N ASN A 43 -8.128 9.373 10.651 1.00 0.00 N ATOM 638 CA ASN A 43 -8.944 9.419 9.443 1.00 0.00 C ATOM 639 C ASN A 43 -8.067 9.491 8.196 1.00 0.00 C ATOM 640 O ASN A 43 -8.567 9.494 7.071 1.00 0.00 O ATOM 641 CB ASN A 43 -9.889 10.621 9.486 1.00 0.00 C ATOM 642 CG ASN A 43 -11.055 10.406 10.431 1.00 0.00 C ATOM 643 OD1 ASN A 43 -12.216 10.511 10.035 1.00 0.00 O ATOM 644 ND2 ASN A 43 -10.751 10.103 11.687 1.00 0.00 N ATOM 0 H ASN A 43 -8.041 10.266 11.136 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.534 8.503 9.398 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.333 11.506 9.795 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.269 10.817 8.483 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.494 9.947 12.368 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.774 10.026 11.971 1.00 0.00 H new ATOM 651 N LYS A 44 -6.756 9.549 8.404 1.00 0.00 N ATOM 652 CA LYS A 44 -5.807 9.620 7.299 1.00 0.00 C ATOM 653 C LYS A 44 -5.999 10.905 6.499 1.00 0.00 C ATOM 654 O LYS A 44 -5.588 10.994 5.342 1.00 0.00 O ATOM 655 CB LYS A 44 -5.971 8.406 6.382 1.00 0.00 C ATOM 656 CG LYS A 44 -4.813 7.427 6.457 1.00 0.00 C ATOM 657 CD LYS A 44 -5.281 5.994 6.268 1.00 0.00 C ATOM 658 CE LYS A 44 -4.676 5.369 5.020 1.00 0.00 C ATOM 659 NZ LYS A 44 -3.190 5.318 5.091 1.00 0.00 N ATOM 0 H LYS A 44 -6.326 9.548 9.329 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.800 9.620 7.716 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.893 7.886 6.643 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.079 8.750 5.353 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.077 7.674 5.692 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.315 7.524 7.422 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.007 5.403 7.142 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.368 5.972 6.197 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.068 4.360 4.892 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.978 5.942 4.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.838 4.562 4.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.796 6.230 4.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.896 5.126 6.070 1.00 0.00 H new ATOM 673 N TYR A 45 -6.623 11.897 7.123 1.00 0.00 N ATOM 674 CA TYR A 45 -6.870 13.177 6.469 1.00 0.00 C ATOM 675 C TYR A 45 -5.558 13.890 6.156 1.00 0.00 C ATOM 676 O TYR A 45 -4.682 14.006 7.013 1.00 0.00 O ATOM 677 CB TYR A 45 -7.748 14.064 7.352 1.00 0.00 C ATOM 678 CG TYR A 45 -8.462 15.159 6.592 1.00 0.00 C ATOM 679 CD1 TYR A 45 -9.402 14.854 5.615 1.00 0.00 C ATOM 680 CD2 TYR A 45 -8.195 16.498 6.848 1.00 0.00 C ATOM 681 CE1 TYR A 45 -10.056 15.850 4.917 1.00 0.00 C ATOM 682 CE2 TYR A 45 -8.845 17.501 6.156 1.00 0.00 C ATOM 683 CZ TYR A 45 -9.774 17.173 5.191 1.00 0.00 C ATOM 684 OH TYR A 45 -10.423 18.169 4.498 1.00 0.00 O ATOM 0 H TYR A 45 -6.967 11.840 8.081 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.390 12.983 5.531 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.487 13.442 7.856 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.130 14.516 8.128 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.625 13.820 5.398 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.466 16.759 7.601 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.784 15.595 4.161 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.627 18.537 6.370 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.299 19.024 4.961 1.00 0.00 H new ATOM 694 N ASP A 46 -5.432 14.367 4.923 1.00 0.00 N ATOM 695 CA ASP A 46 -4.228 15.072 4.495 1.00 0.00 C ATOM 696 C ASP A 46 -3.894 16.209 5.456 1.00 0.00 C ATOM 697 O ASP A 46 -2.730 16.570 5.624 1.00 0.00 O ATOM 698 CB ASP A 46 -4.409 15.620 3.079 1.00 0.00 C ATOM 699 CG ASP A 46 -3.229 15.304 2.181 1.00 0.00 C ATOM 700 OD1 ASP A 46 -2.137 15.861 2.420 1.00 0.00 O ATOM 701 OD2 ASP A 46 -3.397 14.501 1.239 1.00 0.00 O ATOM 0 H ASP A 46 -6.148 14.279 4.202 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.400 14.363 4.498 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.316 15.201 2.643 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -4.548 16.700 3.125 1.00 0.00 H new ATOM 706 N ALA A 47 -4.924 16.769 6.082 1.00 0.00 N ATOM 707 CA ALA A 47 -4.739 17.864 7.026 1.00 0.00 C ATOM 708 C ALA A 47 -4.173 19.098 6.332 1.00 0.00 C ATOM 709 O ALA A 47 -3.530 19.937 6.963 1.00 0.00 O ATOM 710 CB ALA A 47 -3.827 17.432 8.165 1.00 0.00 C ATOM 0 H ALA A 47 -5.894 16.483 5.952 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.715 18.125 7.436 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.698 18.260 8.862 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.272 16.585 8.686 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.856 17.141 7.764 1.00 0.00 H new ATOM 716 N SER A 48 -4.415 19.202 5.029 1.00 0.00 N ATOM 717 CA SER A 48 -3.925 20.331 4.248 1.00 0.00 C ATOM 718 C SER A 48 -5.074 21.248 3.839 1.00 0.00 C ATOM 719 O SER A 48 -4.993 21.950 2.831 1.00 0.00 O ATOM 720 CB SER A 48 -3.185 19.836 3.004 1.00 0.00 C ATOM 721 OG SER A 48 -2.461 18.649 3.280 1.00 0.00 O ATOM 0 H SER A 48 -4.948 18.518 4.492 1.00 0.00 H new ATOM 0 HA SER A 48 -3.234 20.899 4.871 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.899 19.652 2.201 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.502 20.609 2.652 1.00 0.00 H new ATOM 0 HG SER A 48 -2.733 17.947 2.653 1.00 0.00 H new ATOM 727 N ALA A 49 -6.142 21.235 4.629 1.00 0.00 N ATOM 728 CA ALA A 49 -7.307 22.066 4.351 1.00 0.00 C ATOM 729 C ALA A 49 -7.815 22.742 5.620 1.00 0.00 C ATOM 730 O ALA A 49 -8.192 23.914 5.602 1.00 0.00 O ATOM 731 CB ALA A 49 -8.411 21.233 3.717 1.00 0.00 C ATOM 0 H ALA A 49 -6.225 20.658 5.466 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.007 22.845 3.650 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.275 21.867 3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.051 20.802 2.783 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.700 20.433 4.398 1.00 0.00 H new ATOM 737 N ILE A 50 -7.822 21.996 6.720 1.00 0.00 N ATOM 738 CA ILE A 50 -8.283 22.525 7.998 1.00 0.00 C ATOM 739 C ILE A 50 -7.587 23.839 8.332 1.00 0.00 C ATOM 740 O ILE A 50 -6.391 24.000 8.088 1.00 0.00 O ATOM 741 CB ILE A 50 -8.040 21.522 9.142 1.00 0.00 C ATOM 742 CG1 ILE A 50 -8.757 20.202 8.853 1.00 0.00 C ATOM 743 CG2 ILE A 50 -8.509 22.107 10.466 1.00 0.00 C ATOM 744 CD1 ILE A 50 -8.424 19.105 9.840 1.00 0.00 C ATOM 0 H ILE A 50 -7.514 21.024 6.752 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.354 22.700 7.900 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.970 21.325 9.212 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.833 20.373 8.862 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.495 19.868 7.849 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.331 21.387 11.265 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.958 23.024 10.674 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.575 22.329 10.408 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.968 18.199 9.574 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.353 18.906 9.815 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.711 19.419 10.843 1.00 0.00 H new ATOM 756 N ASP A 51 -8.343 24.776 8.894 1.00 0.00 N ATOM 757 CA ASP A 51 -7.798 26.077 9.265 1.00 0.00 C ATOM 758 C ASP A 51 -7.684 26.206 10.781 1.00 0.00 C ATOM 759 O ASP A 51 -8.550 26.792 11.432 1.00 0.00 O ATOM 760 CB ASP A 51 -8.676 27.199 8.710 1.00 0.00 C ATOM 761 CG ASP A 51 -8.172 27.725 7.381 1.00 0.00 C ATOM 762 OD1 ASP A 51 -8.509 27.124 6.339 1.00 0.00 O ATOM 763 OD2 ASP A 51 -7.441 28.738 7.381 1.00 0.00 O ATOM 0 H ASP A 51 -9.335 24.659 9.103 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.800 26.161 8.835 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.695 26.833 8.589 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.714 28.016 9.430 1.00 0.00 H new ATOM 768 N PHE A 52 -6.611 25.653 11.338 1.00 0.00 N ATOM 769 CA PHE A 52 -6.385 25.704 12.778 1.00 0.00 C ATOM 770 C PHE A 52 -6.487 27.136 13.294 1.00 0.00 C ATOM 771 O PHE A 52 -6.872 27.368 14.440 1.00 0.00 O ATOM 772 CB PHE A 52 -5.012 25.122 13.121 1.00 0.00 C ATOM 773 CG PHE A 52 -4.836 23.698 12.677 1.00 0.00 C ATOM 774 CD1 PHE A 52 -5.235 22.650 13.491 1.00 0.00 C ATOM 775 CD2 PHE A 52 -4.272 23.408 11.445 1.00 0.00 C ATOM 776 CE1 PHE A 52 -5.074 21.339 13.085 1.00 0.00 C ATOM 777 CE2 PHE A 52 -4.110 22.098 11.034 1.00 0.00 C ATOM 778 CZ PHE A 52 -4.510 21.063 11.855 1.00 0.00 C ATOM 0 H PHE A 52 -5.885 25.165 10.814 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.156 25.106 13.263 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.240 25.736 12.658 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.861 25.179 14.199 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.677 22.860 14.454 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.956 24.214 10.799 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.389 20.531 13.729 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.671 21.884 10.071 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.382 20.039 11.536 1.00 0.00 H new ATOM 788 N SER A 53 -6.139 28.093 12.440 1.00 0.00 N ATOM 789 CA SER A 53 -6.186 29.502 12.810 1.00 0.00 C ATOM 790 C SER A 53 -7.591 29.901 13.251 1.00 0.00 C ATOM 791 O SER A 53 -7.769 30.559 14.276 1.00 0.00 O ATOM 792 CB SER A 53 -5.741 30.375 11.635 1.00 0.00 C ATOM 793 OG SER A 53 -4.330 30.500 11.598 1.00 0.00 O ATOM 0 H SER A 53 -5.821 27.918 11.487 1.00 0.00 H new ATOM 0 HA SER A 53 -5.504 29.656 13.646 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.095 29.940 10.700 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.195 31.363 11.719 1.00 0.00 H new ATOM 0 HG SER A 53 -4.071 31.061 10.837 1.00 0.00 H new ATOM 799 N ARG A 54 -8.587 29.498 12.468 1.00 0.00 N ATOM 800 CA ARG A 54 -9.977 29.814 12.776 1.00 0.00 C ATOM 801 C ARG A 54 -10.454 29.031 13.996 1.00 0.00 C ATOM 802 O ARG A 54 -11.389 29.445 14.684 1.00 0.00 O ATOM 803 CB ARG A 54 -10.871 29.502 11.575 1.00 0.00 C ATOM 804 CG ARG A 54 -10.547 30.332 10.343 1.00 0.00 C ATOM 805 CD ARG A 54 -11.632 31.360 10.062 1.00 0.00 C ATOM 806 NE ARG A 54 -11.093 32.570 9.447 1.00 0.00 N ATOM 807 CZ ARG A 54 -10.593 32.609 8.218 1.00 0.00 C ATOM 808 NH1 ARG A 54 -10.563 31.512 7.475 1.00 0.00 N ATOM 809 NH2 ARG A 54 -10.122 33.749 7.728 1.00 0.00 N ATOM 0 H ARG A 54 -8.457 28.952 11.616 1.00 0.00 H new ATOM 0 HA ARG A 54 -10.041 30.879 13.001 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.775 28.445 11.326 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.911 29.671 11.853 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.592 30.839 10.485 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.434 29.676 9.480 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.384 30.923 9.405 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.135 31.620 10.993 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.101 33.432 9.992 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.925 30.634 7.847 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.178 31.546 6.531 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.144 34.596 8.296 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.738 33.778 6.784 1.00 0.00 H new ATOM 823 N CYS A 55 -9.808 27.901 14.257 1.00 0.00 N ATOM 824 CA CYS A 55 -10.168 27.060 15.394 1.00 0.00 C ATOM 825 C CYS A 55 -9.668 27.668 16.700 1.00 0.00 C ATOM 826 O CYS A 55 -8.739 27.152 17.321 1.00 0.00 O ATOM 827 CB CYS A 55 -9.590 25.655 15.217 1.00 0.00 C ATOM 828 SG CYS A 55 -10.088 24.485 16.503 1.00 0.00 S ATOM 0 H CYS A 55 -9.033 27.545 13.698 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.255 26.996 15.438 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -9.900 25.266 14.247 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.502 25.720 15.202 1.00 0.00 H new ATOM 0 HG CYS A 55 -11.170 24.912 17.083 1.00 0.00 H new ATOM 834 N ASP A 56 -10.289 28.768 17.110 1.00 0.00 N ATOM 835 CA ASP A 56 -9.908 29.448 18.342 1.00 0.00 C ATOM 836 C ASP A 56 -10.975 29.265 19.417 1.00 0.00 C ATOM 837 O ASP A 56 -11.654 30.217 19.799 1.00 0.00 O ATOM 838 CB ASP A 56 -9.681 30.938 18.079 1.00 0.00 C ATOM 839 CG ASP A 56 -8.322 31.218 17.470 1.00 0.00 C ATOM 840 OD1 ASP A 56 -7.683 30.263 16.980 1.00 0.00 O ATOM 841 OD2 ASP A 56 -7.896 32.392 17.483 1.00 0.00 O ATOM 0 H ASP A 56 -11.059 29.208 16.607 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.979 29.005 18.699 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.459 31.309 17.411 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.777 31.488 19.015 1.00 0.00 H new ATOM 846 N MET A 57 -11.117 28.034 19.899 1.00 0.00 N ATOM 847 CA MET A 57 -12.102 27.726 20.929 1.00 0.00 C ATOM 848 C MET A 57 -11.462 26.954 22.079 1.00 0.00 C ATOM 849 O MET A 57 -10.840 25.913 21.869 1.00 0.00 O ATOM 850 CB MET A 57 -13.257 26.917 20.336 1.00 0.00 C ATOM 851 CG MET A 57 -12.803 25.794 19.418 1.00 0.00 C ATOM 852 SD MET A 57 -13.038 26.185 17.674 1.00 0.00 S ATOM 853 CE MET A 57 -14.455 25.160 17.285 1.00 0.00 C ATOM 0 H MET A 57 -10.563 27.234 19.593 1.00 0.00 H new ATOM 0 HA MET A 57 -12.491 28.667 21.318 1.00 0.00 H new ATOM 0 HB2 MET A 57 -13.849 26.495 21.148 1.00 0.00 H new ATOM 0 HB3 MET A 57 -13.912 27.588 19.780 1.00 0.00 H new ATOM 0 HG2 MET A 57 -11.749 25.584 19.601 1.00 0.00 H new ATOM 0 HG3 MET A 57 -13.355 24.886 19.660 1.00 0.00 H new ATOM 0 HE1 MET A 57 -15.049 25.640 16.508 1.00 0.00 H new ATOM 0 HE2 MET A 57 -14.114 24.187 16.932 1.00 0.00 H new ATOM 0 HE3 MET A 57 -15.065 25.028 18.179 1.00 0.00 H new ATOM 863 N ASP A 58 -11.619 27.471 23.292 1.00 0.00 N ATOM 864 CA ASP A 58 -11.057 26.830 24.475 1.00 0.00 C ATOM 865 C ASP A 58 -11.637 25.431 24.662 1.00 0.00 C ATOM 866 O ASP A 58 -10.900 24.454 24.788 1.00 0.00 O ATOM 867 CB ASP A 58 -11.328 27.678 25.719 1.00 0.00 C ATOM 868 CG ASP A 58 -12.766 28.154 25.793 1.00 0.00 C ATOM 869 OD1 ASP A 58 -13.110 29.116 25.074 1.00 0.00 O ATOM 870 OD2 ASP A 58 -13.547 27.565 26.569 1.00 0.00 O ATOM 0 H ASP A 58 -12.131 28.332 23.482 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.980 26.742 24.333 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.095 27.095 26.610 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.662 28.541 25.719 1.00 0.00 H new ATOM 875 N GLY A 59 -12.963 25.343 24.679 1.00 0.00 N ATOM 876 CA GLY A 59 -13.620 24.060 24.852 1.00 0.00 C ATOM 877 C GLY A 59 -15.129 24.166 24.769 1.00 0.00 C ATOM 878 O GLY A 59 -15.755 23.546 23.909 1.00 0.00 O ATOM 0 H GLY A 59 -13.595 26.137 24.576 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.265 23.368 24.089 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.341 23.640 25.818 1.00 0.00 H new ATOM 882 N ALA A 60 -15.717 24.951 25.666 1.00 0.00 N ATOM 883 CA ALA A 60 -17.162 25.135 25.690 1.00 0.00 C ATOM 884 C ALA A 60 -17.674 25.643 24.346 1.00 0.00 C ATOM 885 O ALA A 60 -18.787 25.319 23.930 1.00 0.00 O ATOM 886 CB ALA A 60 -17.553 26.097 26.803 1.00 0.00 C ATOM 0 H ALA A 60 -15.214 25.470 26.386 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.623 24.166 25.882 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.635 26.225 26.809 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.230 25.694 27.763 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.074 27.062 26.635 1.00 0.00 H new ATOM 892 N THR A 61 -16.854 26.441 23.669 1.00 0.00 N ATOM 893 CA THR A 61 -17.224 26.995 22.373 1.00 0.00 C ATOM 894 C THR A 61 -17.263 25.910 21.303 1.00 0.00 C ATOM 895 O THR A 61 -18.058 25.977 20.364 1.00 0.00 O ATOM 896 CB THR A 61 -16.244 28.099 21.933 1.00 0.00 C ATOM 897 OG1 THR A 61 -16.255 29.170 22.882 1.00 0.00 O ATOM 898 CG2 THR A 61 -16.611 28.631 20.556 1.00 0.00 C ATOM 0 H THR A 61 -15.929 26.718 23.997 1.00 0.00 H new ATOM 0 HA THR A 61 -18.218 27.427 22.486 1.00 0.00 H new ATOM 0 HB THR A 61 -15.244 27.668 21.884 1.00 0.00 H new ATOM 0 HG1 THR A 61 -15.628 29.867 22.596 1.00 0.00 H new ATOM 0 HG21 THR A 61 -15.905 29.409 20.267 1.00 0.00 H new ATOM 0 HG22 THR A 61 -16.573 27.819 19.830 1.00 0.00 H new ATOM 0 HG23 THR A 61 -17.618 29.047 20.583 1.00 0.00 H new ATOM 906 N LEU A 62 -16.401 24.910 21.449 1.00 0.00 N ATOM 907 CA LEU A 62 -16.337 23.809 20.494 1.00 0.00 C ATOM 908 C LEU A 62 -17.657 23.046 20.454 1.00 0.00 C ATOM 909 O LEU A 62 -18.232 22.836 19.385 1.00 0.00 O ATOM 910 CB LEU A 62 -15.196 22.857 20.858 1.00 0.00 C ATOM 911 CG LEU A 62 -15.068 21.602 19.995 1.00 0.00 C ATOM 912 CD1 LEU A 62 -14.804 21.975 18.545 1.00 0.00 C ATOM 913 CD2 LEU A 62 -13.963 20.700 20.526 1.00 0.00 C ATOM 0 H LEU A 62 -15.737 24.839 22.220 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.150 24.229 19.506 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -14.258 23.409 20.803 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -15.324 22.549 21.896 1.00 0.00 H new ATOM 0 HG LEU A 62 -16.010 21.055 20.041 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -14.716 21.068 17.946 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.629 22.580 18.169 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.877 22.545 18.479 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -13.886 19.811 19.899 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.015 21.238 20.511 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.195 20.404 21.549 1.00 0.00 H new ATOM 925 N CYS A 63 -18.133 22.636 21.625 1.00 0.00 N ATOM 926 CA CYS A 63 -19.387 21.897 21.724 1.00 0.00 C ATOM 927 C CYS A 63 -20.578 22.808 21.446 1.00 0.00 C ATOM 928 O CYS A 63 -21.636 22.349 21.016 1.00 0.00 O ATOM 929 CB CYS A 63 -19.524 21.268 23.111 1.00 0.00 C ATOM 930 SG CYS A 63 -19.556 19.460 23.102 1.00 0.00 S ATOM 0 H CYS A 63 -17.670 22.803 22.518 1.00 0.00 H new ATOM 0 HA CYS A 63 -19.374 21.106 20.974 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -18.694 21.603 23.734 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -20.439 21.635 23.576 1.00 0.00 H new ATOM 0 HG CYS A 63 -20.784 19.048 22.992 1.00 0.00 H new ATOM 936 N ASN A 64 -20.398 24.101 21.695 1.00 0.00 N ATOM 937 CA ASN A 64 -21.459 25.077 21.473 1.00 0.00 C ATOM 938 C ASN A 64 -21.650 25.345 19.983 1.00 0.00 C ATOM 939 O ASN A 64 -22.740 25.711 19.542 1.00 0.00 O ATOM 940 CB ASN A 64 -21.139 26.384 22.201 1.00 0.00 C ATOM 941 CG ASN A 64 -21.737 26.432 23.594 1.00 0.00 C ATOM 942 OD1 ASN A 64 -22.850 25.957 23.820 1.00 0.00 O ATOM 943 ND2 ASN A 64 -20.999 27.008 24.535 1.00 0.00 N ATOM 0 H ASN A 64 -19.528 24.497 22.050 1.00 0.00 H new ATOM 0 HA ASN A 64 -22.386 24.665 21.871 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -20.058 26.504 22.269 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -21.517 27.224 21.617 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -21.349 27.070 25.491 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -20.082 27.388 24.302 1.00 0.00 H new ATOM 950 N CYS A 65 -20.583 25.160 19.214 1.00 0.00 N ATOM 951 CA CYS A 65 -20.631 25.382 17.773 1.00 0.00 C ATOM 952 C CYS A 65 -21.696 24.504 17.123 1.00 0.00 C ATOM 953 O CYS A 65 -22.379 23.736 17.800 1.00 0.00 O ATOM 954 CB CYS A 65 -19.266 25.096 17.146 1.00 0.00 C ATOM 955 SG CYS A 65 -18.162 26.527 17.099 1.00 0.00 S ATOM 0 H CYS A 65 -19.674 24.857 19.564 1.00 0.00 H new ATOM 0 HA CYS A 65 -20.891 26.426 17.600 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -18.782 24.295 17.705 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -19.414 24.731 16.130 1.00 0.00 H new ATOM 0 HG CYS A 65 -18.645 27.421 16.289 1.00 0.00 H new ATOM 961 N ALA A 66 -21.834 24.626 15.807 1.00 0.00 N ATOM 962 CA ALA A 66 -22.815 23.844 15.066 1.00 0.00 C ATOM 963 C ALA A 66 -22.134 22.887 14.093 1.00 0.00 C ATOM 964 O ALA A 66 -20.970 23.073 13.736 1.00 0.00 O ATOM 965 CB ALA A 66 -23.771 24.764 14.322 1.00 0.00 C ATOM 0 H ALA A 66 -21.278 25.259 15.232 1.00 0.00 H new ATOM 0 HA ALA A 66 -23.383 23.249 15.781 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -24.498 24.166 13.773 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -24.291 25.402 15.036 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -23.209 25.384 13.623 1.00 0.00 H new ATOM 971 N LEU A 67 -22.865 21.863 13.669 1.00 0.00 N ATOM 972 CA LEU A 67 -22.331 20.875 12.737 1.00 0.00 C ATOM 973 C LEU A 67 -21.730 21.554 11.510 1.00 0.00 C ATOM 974 O LEU A 67 -20.541 21.406 11.228 1.00 0.00 O ATOM 975 CB LEU A 67 -23.431 19.902 12.308 1.00 0.00 C ATOM 976 CG LEU A 67 -23.138 19.066 11.062 1.00 0.00 C ATOM 977 CD1 LEU A 67 -21.800 18.357 11.197 1.00 0.00 C ATOM 978 CD2 LEU A 67 -24.254 18.060 10.821 1.00 0.00 C ATOM 0 H LEU A 67 -23.829 21.694 13.955 1.00 0.00 H new ATOM 0 HA LEU A 67 -21.543 20.320 13.246 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.632 19.224 13.137 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -24.344 20.471 12.133 1.00 0.00 H new ATOM 0 HG LEU A 67 -23.086 19.735 10.203 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.609 17.767 10.301 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -21.008 19.095 11.321 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -21.823 17.700 12.066 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -24.029 17.474 9.930 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -24.337 17.396 11.681 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -25.196 18.589 10.679 1.00 0.00 H new ATOM 990 N GLU A 68 -22.559 22.300 10.787 1.00 0.00 N ATOM 991 CA GLU A 68 -22.107 23.002 9.591 1.00 0.00 C ATOM 992 C GLU A 68 -20.866 23.839 9.888 1.00 0.00 C ATOM 993 O GLU A 68 -19.989 23.989 9.038 1.00 0.00 O ATOM 994 CB GLU A 68 -23.222 23.898 9.048 1.00 0.00 C ATOM 995 CG GLU A 68 -24.295 23.140 8.284 1.00 0.00 C ATOM 996 CD GLU A 68 -24.143 23.270 6.781 1.00 0.00 C ATOM 997 OE1 GLU A 68 -23.898 24.398 6.304 1.00 0.00 O ATOM 998 OE2 GLU A 68 -24.270 22.243 6.082 1.00 0.00 O ATOM 0 H GLU A 68 -23.546 22.434 11.008 1.00 0.00 H new ATOM 0 HA GLU A 68 -21.850 22.257 8.838 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -23.686 24.429 9.879 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -22.785 24.651 8.392 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -24.256 22.086 8.560 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -25.277 23.511 8.580 1.00 0.00 H new ATOM 1005 N GLU A 69 -20.800 24.380 11.100 1.00 0.00 N ATOM 1006 CA GLU A 69 -19.667 25.203 11.508 1.00 0.00 C ATOM 1007 C GLU A 69 -18.372 24.397 11.480 1.00 0.00 C ATOM 1008 O GLU A 69 -17.399 24.786 10.833 1.00 0.00 O ATOM 1009 CB GLU A 69 -19.899 25.768 12.911 1.00 0.00 C ATOM 1010 CG GLU A 69 -20.050 27.280 12.941 1.00 0.00 C ATOM 1011 CD GLU A 69 -20.265 27.817 14.342 1.00 0.00 C ATOM 1012 OE1 GLU A 69 -21.325 27.526 14.935 1.00 0.00 O ATOM 1013 OE2 GLU A 69 -19.371 28.530 14.847 1.00 0.00 O ATOM 0 H GLU A 69 -21.517 24.264 11.816 1.00 0.00 H new ATOM 0 HA GLU A 69 -19.576 26.028 10.802 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.795 25.313 13.333 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -19.065 25.482 13.551 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -19.159 27.739 12.513 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -20.891 27.570 12.312 1.00 0.00 H new ATOM 1020 N LEU A 70 -18.367 23.272 12.187 1.00 0.00 N ATOM 1021 CA LEU A 70 -17.191 22.410 12.244 1.00 0.00 C ATOM 1022 C LEU A 70 -16.769 21.971 10.845 1.00 0.00 C ATOM 1023 O LEU A 70 -15.601 21.664 10.606 1.00 0.00 O ATOM 1024 CB LEU A 70 -17.476 21.183 13.112 1.00 0.00 C ATOM 1025 CG LEU A 70 -18.118 21.457 14.472 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -18.233 20.172 15.277 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -17.317 22.499 15.239 1.00 0.00 C ATOM 0 H LEU A 70 -19.163 22.936 12.728 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.374 22.980 12.687 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -18.128 20.511 12.554 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.538 20.653 13.276 1.00 0.00 H new ATOM 0 HG LEU A 70 -19.122 21.848 14.306 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.692 20.387 16.242 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -18.849 19.456 14.733 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.240 19.751 15.434 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -17.788 22.682 16.205 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -16.301 22.135 15.394 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -17.287 23.427 14.668 1.00 0.00 H new ATOM 1039 N ARG A 71 -17.727 21.945 9.925 1.00 0.00 N ATOM 1040 CA ARG A 71 -17.455 21.544 8.549 1.00 0.00 C ATOM 1041 C ARG A 71 -16.823 22.691 7.765 1.00 0.00 C ATOM 1042 O ARG A 71 -16.161 22.471 6.750 1.00 0.00 O ATOM 1043 CB ARG A 71 -18.744 21.091 7.863 1.00 0.00 C ATOM 1044 CG ARG A 71 -19.352 19.839 8.473 1.00 0.00 C ATOM 1045 CD ARG A 71 -20.782 19.627 8.002 1.00 0.00 C ATOM 1046 NE ARG A 71 -20.983 18.292 7.443 1.00 0.00 N ATOM 1047 CZ ARG A 71 -21.982 17.980 6.626 1.00 0.00 C ATOM 1048 NH1 ARG A 71 -22.867 18.902 6.273 1.00 0.00 N ATOM 1049 NH2 ARG A 71 -22.097 16.743 6.159 1.00 0.00 N ATOM 0 H ARG A 71 -18.699 22.197 10.107 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.753 20.711 8.571 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.474 21.899 7.910 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -18.539 20.908 6.808 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -18.748 18.972 8.205 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -19.334 19.917 9.560 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.465 19.776 8.838 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -21.031 20.376 7.250 1.00 0.00 H new ATOM 0 HE ARG A 71 -20.319 17.559 7.694 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -22.781 19.854 6.629 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -23.633 18.659 5.645 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -21.418 16.031 6.428 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -22.865 16.504 5.531 1.00 0.00 H new ATOM 1063 N LEU A 72 -17.033 23.913 8.241 1.00 0.00 N ATOM 1064 CA LEU A 72 -16.485 25.094 7.583 1.00 0.00 C ATOM 1065 C LEU A 72 -15.130 25.467 8.176 1.00 0.00 C ATOM 1066 O LEU A 72 -14.366 26.225 7.577 1.00 0.00 O ATOM 1067 CB LEU A 72 -17.454 26.271 7.716 1.00 0.00 C ATOM 1068 CG LEU A 72 -18.353 26.540 6.508 1.00 0.00 C ATOM 1069 CD1 LEU A 72 -19.810 26.619 6.935 1.00 0.00 C ATOM 1070 CD2 LEU A 72 -17.930 27.821 5.804 1.00 0.00 C ATOM 0 H LEU A 72 -17.578 24.112 9.080 1.00 0.00 H new ATOM 0 HA LEU A 72 -16.348 24.861 6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -18.089 26.097 8.585 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.875 27.171 7.920 1.00 0.00 H new ATOM 0 HG LEU A 72 -18.246 25.712 5.807 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -20.435 26.811 6.063 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -20.106 25.676 7.393 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -19.935 27.427 7.656 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -18.580 27.997 4.947 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -18.007 28.659 6.496 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -16.899 27.726 5.464 1.00 0.00 H new ATOM 1082 N VAL A 73 -14.836 24.928 9.355 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.572 25.202 10.027 1.00 0.00 C ATOM 1084 C VAL A 73 -12.592 24.048 9.845 1.00 0.00 C ATOM 1085 O VAL A 73 -11.377 24.244 9.852 1.00 0.00 O ATOM 1086 CB VAL A 73 -13.779 25.452 11.532 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -12.446 25.703 12.220 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -14.729 26.619 11.752 1.00 0.00 C ATOM 0 H VAL A 73 -15.457 24.299 9.864 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.159 26.102 9.570 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.226 24.561 11.972 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.612 25.878 13.283 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.801 24.834 12.092 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.968 26.578 11.779 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.864 26.782 12.821 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.312 27.518 11.298 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.693 26.395 11.295 1.00 0.00 H new ATOM 1098 N PHE A 74 -13.129 22.843 9.680 1.00 0.00 N ATOM 1099 CA PHE A 74 -12.302 21.656 9.496 1.00 0.00 C ATOM 1100 C PHE A 74 -12.617 20.974 8.168 1.00 0.00 C ATOM 1101 O PHE A 74 -12.379 19.779 7.999 1.00 0.00 O ATOM 1102 CB PHE A 74 -12.518 20.675 10.650 1.00 0.00 C ATOM 1103 CG PHE A 74 -12.615 21.341 11.993 1.00 0.00 C ATOM 1104 CD1 PHE A 74 -11.581 22.133 12.465 1.00 0.00 C ATOM 1105 CD2 PHE A 74 -13.741 21.175 12.783 1.00 0.00 C ATOM 1106 CE1 PHE A 74 -11.668 22.746 13.701 1.00 0.00 C ATOM 1107 CE2 PHE A 74 -13.834 21.786 14.020 1.00 0.00 C ATOM 1108 CZ PHE A 74 -12.796 22.573 14.478 1.00 0.00 C ATOM 0 H PHE A 74 -14.133 22.663 9.670 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.258 21.969 9.485 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -13.431 20.108 10.468 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.696 19.959 10.667 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -10.697 22.273 11.861 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -14.556 20.561 12.428 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.854 23.360 14.058 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -14.717 21.648 14.627 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.866 23.053 15.443 1.00 0.00 H new ATOM 1118 N GLY A 75 -13.156 21.744 7.228 1.00 0.00 N ATOM 1119 CA GLY A 75 -13.497 21.198 5.927 1.00 0.00 C ATOM 1120 C GLY A 75 -14.501 20.066 6.018 1.00 0.00 C ATOM 1121 O GLY A 75 -15.337 20.021 6.920 1.00 0.00 O ATOM 0 H GLY A 75 -13.363 22.736 7.344 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.904 21.991 5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.591 20.838 5.439 1.00 0.00 H new ATOM 1125 N PRO A 76 -14.426 19.125 5.065 1.00 0.00 N ATOM 1126 CA PRO A 76 -15.329 17.971 5.019 1.00 0.00 C ATOM 1127 C PRO A 76 -15.066 16.984 6.152 1.00 0.00 C ATOM 1128 O PRO A 76 -15.815 16.024 6.338 1.00 0.00 O ATOM 1129 CB PRO A 76 -15.015 17.329 3.666 1.00 0.00 C ATOM 1130 CG PRO A 76 -13.616 17.743 3.365 1.00 0.00 C ATOM 1131 CD PRO A 76 -13.454 19.115 3.959 1.00 0.00 C ATOM 0 HA PRO A 76 -16.372 18.264 5.135 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.105 16.244 3.712 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.704 17.673 2.895 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.900 17.044 3.797 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.436 17.759 2.290 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.438 19.281 4.316 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.667 19.896 3.230 1.00 0.00 H new ATOM 1139 N LEU A 77 -13.999 17.226 6.905 1.00 0.00 N ATOM 1140 CA LEU A 77 -13.638 16.358 8.021 1.00 0.00 C ATOM 1141 C LEU A 77 -14.571 16.579 9.207 1.00 0.00 C ATOM 1142 O LEU A 77 -14.758 15.690 10.036 1.00 0.00 O ATOM 1143 CB LEU A 77 -12.189 16.613 8.442 1.00 0.00 C ATOM 1144 CG LEU A 77 -11.640 15.702 9.540 1.00 0.00 C ATOM 1145 CD1 LEU A 77 -11.859 14.241 9.181 1.00 0.00 C ATOM 1146 CD2 LEU A 77 -10.162 15.980 9.773 1.00 0.00 C ATOM 0 H LEU A 77 -13.369 18.015 6.764 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.738 15.324 7.692 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.553 16.513 7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.106 17.646 8.779 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.179 15.912 10.464 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.462 13.608 9.974 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.926 14.051 9.065 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.346 14.015 8.246 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.787 15.323 10.558 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.608 15.798 8.852 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.031 17.019 10.076 1.00 0.00 H new ATOM 1158 N GLY A 78 -15.156 17.771 9.280 1.00 0.00 N ATOM 1159 CA GLY A 78 -16.064 18.086 10.367 1.00 0.00 C ATOM 1160 C GLY A 78 -17.153 17.045 10.532 1.00 0.00 C ATOM 1161 O GLY A 78 -17.532 16.707 11.654 1.00 0.00 O ATOM 0 H GLY A 78 -15.017 18.524 8.606 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -15.500 18.167 11.296 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -16.520 19.059 10.185 1.00 0.00 H new ATOM 1165 N ASP A 79 -17.659 16.538 9.414 1.00 0.00 N ATOM 1166 CA ASP A 79 -18.712 15.529 9.440 1.00 0.00 C ATOM 1167 C ASP A 79 -18.313 14.349 10.319 1.00 0.00 C ATOM 1168 O ASP A 79 -19.167 13.677 10.897 1.00 0.00 O ATOM 1169 CB ASP A 79 -19.019 15.045 8.022 1.00 0.00 C ATOM 1170 CG ASP A 79 -20.319 14.269 7.944 1.00 0.00 C ATOM 1171 OD1 ASP A 79 -21.214 14.523 8.778 1.00 0.00 O ATOM 1172 OD2 ASP A 79 -20.442 13.407 7.049 1.00 0.00 O ATOM 0 H ASP A 79 -17.357 16.809 8.478 1.00 0.00 H new ATOM 0 HA ASP A 79 -19.608 15.985 9.861 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -19.071 15.903 7.352 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.202 14.415 7.671 1.00 0.00 H new ATOM 1177 N GLN A 80 -17.010 14.102 10.414 1.00 0.00 N ATOM 1178 CA GLN A 80 -16.498 13.001 11.222 1.00 0.00 C ATOM 1179 C GLN A 80 -16.223 13.456 12.651 1.00 0.00 C ATOM 1180 O GLN A 80 -16.492 12.729 13.608 1.00 0.00 O ATOM 1181 CB GLN A 80 -15.221 12.436 10.599 1.00 0.00 C ATOM 1182 CG GLN A 80 -15.463 11.646 9.323 1.00 0.00 C ATOM 1183 CD GLN A 80 -16.546 10.597 9.483 1.00 0.00 C ATOM 1184 OE1 GLN A 80 -16.501 9.777 10.401 1.00 0.00 O ATOM 1185 NE2 GLN A 80 -17.527 10.617 8.589 1.00 0.00 N ATOM 0 H GLN A 80 -16.290 14.649 9.942 1.00 0.00 H new ATOM 0 HA GLN A 80 -17.257 12.220 11.250 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.538 13.258 10.383 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.726 11.792 11.326 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -15.742 12.332 8.523 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -14.535 11.162 9.019 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -17.524 11.314 7.845 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -18.283 9.935 8.646 1.00 0.00 H new ATOM 1194 N LEU A 81 -15.686 14.663 12.789 1.00 0.00 N ATOM 1195 CA LEU A 81 -15.373 15.216 14.103 1.00 0.00 C ATOM 1196 C LEU A 81 -16.640 15.392 14.934 1.00 0.00 C ATOM 1197 O LEU A 81 -16.698 14.978 16.092 1.00 0.00 O ATOM 1198 CB LEU A 81 -14.655 16.559 13.955 1.00 0.00 C ATOM 1199 CG LEU A 81 -13.344 16.536 13.170 1.00 0.00 C ATOM 1200 CD1 LEU A 81 -12.826 17.949 12.954 1.00 0.00 C ATOM 1201 CD2 LEU A 81 -12.305 15.690 13.892 1.00 0.00 C ATOM 0 H LEU A 81 -15.458 15.278 12.008 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.716 14.515 14.619 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.334 17.260 13.469 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -14.452 16.951 14.951 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.535 16.088 12.195 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.892 17.912 12.393 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.563 18.525 12.394 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.651 18.424 13.919 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.378 15.685 13.319 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.118 16.109 14.881 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.674 14.669 13.994 1.00 0.00 H new ATOM 1213 N HIS A 82 -17.654 16.009 14.335 1.00 0.00 N ATOM 1214 CA HIS A 82 -18.922 16.237 15.020 1.00 0.00 C ATOM 1215 C HIS A 82 -19.459 14.940 15.616 1.00 0.00 C ATOM 1216 O HIS A 82 -19.848 14.896 16.782 1.00 0.00 O ATOM 1217 CB HIS A 82 -19.947 16.832 14.054 1.00 0.00 C ATOM 1218 CG HIS A 82 -21.185 17.336 14.730 1.00 0.00 C ATOM 1219 ND1 HIS A 82 -22.395 16.677 14.674 1.00 0.00 N ATOM 1220 CD2 HIS A 82 -21.394 18.442 15.482 1.00 0.00 C ATOM 1221 CE1 HIS A 82 -23.296 17.357 15.361 1.00 0.00 C ATOM 1222 NE2 HIS A 82 -22.714 18.432 15.862 1.00 0.00 N ATOM 0 H HIS A 82 -17.623 16.360 13.378 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.747 16.943 15.832 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -19.483 17.652 13.505 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -20.226 16.075 13.321 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -20.660 19.192 15.736 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -24.332 17.081 15.491 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -23.171 19.140 16.437 1.00 0.00 H new ATOM 1230 N ALA A 83 -19.478 13.886 14.806 1.00 0.00 N ATOM 1231 CA ALA A 83 -19.966 12.587 15.254 1.00 0.00 C ATOM 1232 C ALA A 83 -19.286 12.162 16.551 1.00 0.00 C ATOM 1233 O ALA A 83 -19.909 11.546 17.415 1.00 0.00 O ATOM 1234 CB ALA A 83 -19.747 11.540 14.173 1.00 0.00 C ATOM 0 H ALA A 83 -19.161 13.906 13.837 1.00 0.00 H new ATOM 0 HA ALA A 83 -21.035 12.675 15.448 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -20.116 10.575 14.521 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -20.285 11.830 13.271 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -18.683 11.463 13.951 1.00 0.00 H new ATOM 1240 N GLN A 84 -18.006 12.496 16.679 1.00 0.00 N ATOM 1241 CA GLN A 84 -17.242 12.147 17.871 1.00 0.00 C ATOM 1242 C GLN A 84 -17.622 13.045 19.044 1.00 0.00 C ATOM 1243 O GLN A 84 -17.892 12.564 20.145 1.00 0.00 O ATOM 1244 CB GLN A 84 -15.742 12.259 17.592 1.00 0.00 C ATOM 1245 CG GLN A 84 -15.228 11.226 16.602 1.00 0.00 C ATOM 1246 CD GLN A 84 -14.336 10.188 17.252 1.00 0.00 C ATOM 1247 OE1 GLN A 84 -13.186 10.466 17.593 1.00 0.00 O ATOM 1248 NE2 GLN A 84 -14.863 8.981 17.428 1.00 0.00 N ATOM 0 H GLN A 84 -17.477 13.007 15.973 1.00 0.00 H new ATOM 0 HA GLN A 84 -17.479 11.116 18.135 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -15.526 13.256 17.209 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.198 12.153 18.530 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -16.075 10.728 16.130 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -14.674 11.731 15.811 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -15.821 8.794 17.130 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -14.310 8.241 17.861 1.00 0.00 H new ATOM 1257 N LEU A 85 -17.640 14.351 18.801 1.00 0.00 N ATOM 1258 CA LEU A 85 -17.987 15.317 19.837 1.00 0.00 C ATOM 1259 C LEU A 85 -19.376 15.037 20.400 1.00 0.00 C ATOM 1260 O LEU A 85 -19.675 15.382 21.543 1.00 0.00 O ATOM 1261 CB LEU A 85 -17.928 16.739 19.276 1.00 0.00 C ATOM 1262 CG LEU A 85 -16.562 17.424 19.325 1.00 0.00 C ATOM 1263 CD1 LEU A 85 -16.550 18.656 18.434 1.00 0.00 C ATOM 1264 CD2 LEU A 85 -16.202 17.795 20.756 1.00 0.00 C ATOM 0 H LEU A 85 -17.418 14.765 17.896 1.00 0.00 H new ATOM 0 HA LEU A 85 -17.262 15.222 20.646 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.262 16.713 18.239 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.641 17.355 19.825 1.00 0.00 H new ATOM 0 HG LEU A 85 -15.813 16.725 18.953 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.570 19.130 18.482 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.762 18.363 17.406 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -17.310 19.359 18.775 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.227 18.281 20.771 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -16.954 18.476 21.155 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -16.168 16.894 21.368 1.00 0.00 H new ATOM 1276 N ARG A 86 -20.221 14.408 19.590 1.00 0.00 N ATOM 1277 CA ARG A 86 -21.579 14.080 20.007 1.00 0.00 C ATOM 1278 C ARG A 86 -21.575 12.948 21.030 1.00 0.00 C ATOM 1279 O ARG A 86 -22.445 12.881 21.899 1.00 0.00 O ATOM 1280 CB ARG A 86 -22.426 13.685 18.796 1.00 0.00 C ATOM 1281 CG ARG A 86 -22.965 14.872 18.015 1.00 0.00 C ATOM 1282 CD ARG A 86 -24.199 14.497 17.211 1.00 0.00 C ATOM 1283 NE ARG A 86 -23.855 13.975 15.891 1.00 0.00 N ATOM 1284 CZ ARG A 86 -24.751 13.509 15.028 1.00 0.00 C ATOM 1285 NH1 ARG A 86 -26.039 13.501 15.345 1.00 0.00 N ATOM 1286 NH2 ARG A 86 -24.360 13.051 13.846 1.00 0.00 N ATOM 0 H ARG A 86 -19.989 14.115 18.641 1.00 0.00 H new ATOM 0 HA ARG A 86 -22.013 14.965 20.472 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -21.825 13.066 18.130 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -23.263 13.073 19.133 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -23.210 15.681 18.704 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -22.193 15.248 17.344 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -24.774 13.750 17.758 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -24.839 15.373 17.099 1.00 0.00 H new ATOM 0 HE ARG A 86 -22.873 13.968 15.617 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -26.343 13.853 16.253 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -26.725 13.143 14.681 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -23.370 13.056 13.599 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -25.049 12.693 13.184 1.00 0.00 H new ATOM 1300 N ASP A 87 -20.592 12.062 20.920 1.00 0.00 N ATOM 1301 CA ASP A 87 -20.474 10.933 21.836 1.00 0.00 C ATOM 1302 C ASP A 87 -19.795 11.355 23.135 1.00 0.00 C ATOM 1303 O ASP A 87 -20.157 10.890 24.217 1.00 0.00 O ATOM 1304 CB ASP A 87 -19.688 9.797 21.180 1.00 0.00 C ATOM 1305 CG ASP A 87 -20.525 8.548 20.989 1.00 0.00 C ATOM 1306 OD1 ASP A 87 -21.716 8.681 20.640 1.00 0.00 O ATOM 1307 OD2 ASP A 87 -19.989 7.437 21.189 1.00 0.00 O ATOM 0 H ASP A 87 -19.865 12.103 20.206 1.00 0.00 H new ATOM 0 HA ASP A 87 -21.478 10.581 22.071 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.313 10.130 20.213 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -18.820 9.558 21.794 1.00 0.00 H new ATOM 1312 N LEU A 88 -18.809 12.238 23.021 1.00 0.00 N ATOM 1313 CA LEU A 88 -18.078 12.723 24.187 1.00 0.00 C ATOM 1314 C LEU A 88 -19.037 13.238 25.255 1.00 0.00 C ATOM 1315 O LEU A 88 -18.894 12.923 26.437 1.00 0.00 O ATOM 1316 CB LEU A 88 -17.107 13.832 23.779 1.00 0.00 C ATOM 1317 CG LEU A 88 -15.809 13.376 23.111 1.00 0.00 C ATOM 1318 CD1 LEU A 88 -15.273 14.461 22.190 1.00 0.00 C ATOM 1319 CD2 LEU A 88 -14.772 13.004 24.160 1.00 0.00 C ATOM 0 H LEU A 88 -18.497 12.633 22.134 1.00 0.00 H new ATOM 0 HA LEU A 88 -17.513 11.889 24.604 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.624 14.508 23.098 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -16.851 14.409 24.668 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.023 12.492 22.511 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.349 14.119 21.724 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -16.010 14.679 21.417 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.075 15.364 22.768 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -13.855 12.682 23.667 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.562 13.870 24.787 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.155 12.193 24.779 1.00 0.00 H new ATOM 1331 N THR A 89 -20.016 14.031 24.832 1.00 0.00 N ATOM 1332 CA THR A 89 -21.000 14.588 25.752 1.00 0.00 C ATOM 1333 C THR A 89 -22.114 13.589 26.037 1.00 0.00 C ATOM 1334 O THR A 89 -22.347 13.216 27.187 1.00 0.00 O ATOM 1335 CB THR A 89 -21.618 15.885 25.194 1.00 0.00 C ATOM 1336 OG1 THR A 89 -22.068 15.675 23.851 1.00 0.00 O ATOM 1337 CG2 THR A 89 -20.609 17.022 25.225 1.00 0.00 C ATOM 0 H THR A 89 -20.149 14.302 23.858 1.00 0.00 H new ATOM 0 HA THR A 89 -20.474 14.814 26.679 1.00 0.00 H new ATOM 0 HB THR A 89 -22.466 16.157 25.822 1.00 0.00 H new ATOM 0 HG1 THR A 89 -22.461 16.503 23.504 1.00 0.00 H new ATOM 0 HG21 THR A 89 -21.068 17.927 24.826 1.00 0.00 H new ATOM 0 HG22 THR A 89 -20.291 17.199 26.253 1.00 0.00 H new ATOM 0 HG23 THR A 89 -19.743 16.757 24.618 1.00 0.00 H new ATOM 1345 N SER A 90 -22.801 13.158 24.984 1.00 0.00 N ATOM 1346 CA SER A 90 -23.894 12.203 25.122 1.00 0.00 C ATOM 1347 C SER A 90 -23.441 10.966 25.893 1.00 0.00 C ATOM 1348 O SER A 90 -22.748 10.104 25.353 1.00 0.00 O ATOM 1349 CB SER A 90 -24.421 11.795 23.745 1.00 0.00 C ATOM 1350 OG SER A 90 -25.632 11.068 23.857 1.00 0.00 O ATOM 0 H SER A 90 -22.620 13.455 24.025 1.00 0.00 H new ATOM 0 HA SER A 90 -24.696 12.685 25.681 1.00 0.00 H new ATOM 0 HB2 SER A 90 -24.582 12.684 23.136 1.00 0.00 H new ATOM 0 HB3 SER A 90 -23.675 11.188 23.232 1.00 0.00 H new ATOM 0 HG SER A 90 -25.949 10.820 22.963 1.00 0.00 H new ATOM 1356 N SER A 91 -23.837 10.888 27.159 1.00 0.00 N ATOM 1357 CA SER A 91 -23.470 9.760 28.007 1.00 0.00 C ATOM 1358 C SER A 91 -21.953 9.641 28.125 1.00 0.00 C ATOM 1359 O SER A 91 -21.210 10.412 27.519 1.00 0.00 O ATOM 1360 CB SER A 91 -24.052 8.461 27.445 1.00 0.00 C ATOM 1361 OG SER A 91 -25.207 8.067 28.165 1.00 0.00 O ATOM 0 H SER A 91 -24.412 11.593 27.620 1.00 0.00 H new ATOM 0 HA SER A 91 -23.883 9.935 29.001 1.00 0.00 H new ATOM 0 HB2 SER A 91 -24.304 8.597 26.393 1.00 0.00 H new ATOM 0 HB3 SER A 91 -23.302 7.672 27.494 1.00 0.00 H new ATOM 0 HG SER A 91 -25.561 7.236 27.786 1.00 0.00 H new ATOM 1367 N SER A 92 -21.502 8.668 28.910 1.00 0.00 N ATOM 1368 CA SER A 92 -20.074 8.449 29.112 1.00 0.00 C ATOM 1369 C SER A 92 -19.700 6.999 28.820 1.00 0.00 C ATOM 1370 O SER A 92 -20.486 6.250 28.242 1.00 0.00 O ATOM 1371 CB SER A 92 -19.679 8.811 30.545 1.00 0.00 C ATOM 1372 OG SER A 92 -18.304 8.555 30.774 1.00 0.00 O ATOM 0 H SER A 92 -22.104 8.019 29.416 1.00 0.00 H new ATOM 0 HA SER A 92 -19.531 9.092 28.419 1.00 0.00 H new ATOM 0 HB2 SER A 92 -19.892 9.864 30.730 1.00 0.00 H new ATOM 0 HB3 SER A 92 -20.281 8.236 31.248 1.00 0.00 H new ATOM 0 HG SER A 92 -18.076 8.796 31.696 1.00 0.00 H new TER 1378 SER A 92