USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 845 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 THR OG1 : rot -25:sc= -0.111 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 175:sc= 0.315! (180deg=0.254) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 166:sc= 1.05 (180deg=0.915) USER MOD Single : A 19 GLN : amide:sc= -0.326 X(o=-0.33,f=0) USER MOD Single : A 25 SER OG : rot -82:sc= 1.57 USER MOD Single : A 35 HIS : no HD1:sc= 0.546 K(o=0.55,f=-2.5!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.00407 K(o=0.0041,f=-7.2!) USER MOD Single : A 43 GLN : amide:sc= -2.41! K(o=-2.4!,f=-1.1) USER MOD Single : A 45 THR OG1 : rot 79:sc= 0.709 USER MOD Single : A 48 LYS NZ :NH3+ -171:sc=-0.00563 (180deg=-0.104) USER MOD Single : A 53 GLN : amide:sc= -3.84! K(o=-3.8!,f=-0.87) USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.119 USER MOD Single : A 83 HIS : no HE2:sc= -0.548 K(o=-0.55,f=-3.9!) USER MOD Single : A 85 TYR OH : rot -99:sc=0.000253 USER MOD Single : A 91 SER OG : rot -23:sc= 0.404 USER MOD Single : A 94 THR OG1 : rot -90:sc= -0.768 USER MOD Single : A 108 GLN : amide:sc= -7.1! C(o=-7.1!,f=-5.7!) USER MOD Single : A 112 HIS : no HD1:sc= -1.22 K(o=-1.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 9.414 -3.665 11.109 1.00 0.00 N ATOM 21 CA THR A 2 9.223 -3.708 9.633 1.00 0.00 C ATOM 22 C THR A 2 7.900 -3.075 9.150 1.00 0.00 C ATOM 23 O THR A 2 6.814 -3.421 9.611 1.00 0.00 O ATOM 24 CB THR A 2 9.326 -5.151 9.058 1.00 0.00 C ATOM 25 OG1 THR A 2 8.318 -6.008 9.617 1.00 0.00 O ATOM 26 CG2 THR A 2 10.707 -5.750 9.325 1.00 0.00 C ATOM 0 HA THR A 2 10.044 -3.103 9.250 1.00 0.00 H new ATOM 0 HB THR A 2 9.170 -5.080 7.982 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.049 -5.667 10.495 1.00 0.00 H new ATOM 0 HG21 THR A 2 10.752 -6.758 8.913 1.00 0.00 H new ATOM 0 HG22 THR A 2 11.470 -5.131 8.853 1.00 0.00 H new ATOM 0 HG23 THR A 2 10.885 -5.789 10.400 1.00 0.00 H new ATOM 34 N LEU A 3 8.001 -2.156 8.184 1.00 0.00 N ATOM 35 CA LEU A 3 6.821 -1.483 7.609 1.00 0.00 C ATOM 36 C LEU A 3 6.782 -1.624 6.077 1.00 0.00 C ATOM 37 O LEU A 3 7.823 -1.736 5.428 1.00 0.00 O ATOM 38 CB LEU A 3 6.821 0.013 7.979 1.00 0.00 C ATOM 39 CG LEU A 3 6.899 0.326 9.482 1.00 0.00 C ATOM 40 CD1 LEU A 3 6.861 1.834 9.726 1.00 0.00 C ATOM 41 CD2 LEU A 3 5.775 -0.374 10.239 1.00 0.00 C ATOM 0 H LEU A 3 8.889 -1.857 7.780 1.00 0.00 H new ATOM 0 HA LEU A 3 5.937 -1.966 8.026 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.665 0.492 7.482 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.915 0.468 7.578 1.00 0.00 H new ATOM 0 HG LEU A 3 7.849 -0.053 9.858 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.917 2.031 10.797 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.707 2.305 9.225 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.931 2.243 9.330 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.850 -0.139 11.301 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.812 -0.033 9.858 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.859 -1.452 10.100 1.00 0.00 H new ATOM 53 N ILE A 4 5.576 -1.619 5.502 1.00 0.00 N ATOM 54 CA ILE A 4 5.409 -1.620 4.037 1.00 0.00 C ATOM 55 C ILE A 4 4.534 -0.440 3.588 1.00 0.00 C ATOM 56 O ILE A 4 3.653 0.010 4.328 1.00 0.00 O ATOM 57 CB ILE A 4 4.806 -2.947 3.490 1.00 0.00 C ATOM 58 CG1 ILE A 4 3.424 -3.251 4.109 1.00 0.00 C ATOM 59 CG2 ILE A 4 5.773 -4.108 3.722 1.00 0.00 C ATOM 60 CD1 ILE A 4 3.473 -3.887 5.486 1.00 0.00 C ATOM 0 H ILE A 4 4.699 -1.614 6.023 1.00 0.00 H new ATOM 0 HA ILE A 4 6.412 -1.521 3.621 1.00 0.00 H new ATOM 0 HB ILE A 4 4.658 -2.824 2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.857 -2.322 4.172 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.877 -3.913 3.437 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.336 -5.028 3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.713 -3.907 3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.960 -4.218 4.790 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.458 -4.064 5.841 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.009 -4.835 5.430 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.988 -3.219 6.177 1.00 0.00 H new ATOM 72 N TYR A 5 4.780 0.062 2.375 1.00 0.00 N ATOM 73 CA TYR A 5 4.106 1.275 1.886 1.00 0.00 C ATOM 74 C TYR A 5 3.514 1.091 0.477 1.00 0.00 C ATOM 75 O TYR A 5 4.111 0.448 -0.385 1.00 0.00 O ATOM 76 CB TYR A 5 5.096 2.452 1.871 1.00 0.00 C ATOM 77 CG TYR A 5 5.737 2.741 3.218 1.00 0.00 C ATOM 78 CD1 TYR A 5 5.146 3.619 4.120 1.00 0.00 C ATOM 79 CD2 TYR A 5 6.931 2.130 3.588 1.00 0.00 C ATOM 80 CE1 TYR A 5 5.725 3.879 5.347 1.00 0.00 C ATOM 81 CE2 TYR A 5 7.513 2.384 4.814 1.00 0.00 C ATOM 82 CZ TYR A 5 6.907 3.259 5.688 1.00 0.00 C ATOM 83 OH TYR A 5 7.486 3.516 6.909 1.00 0.00 O ATOM 0 H TYR A 5 5.438 -0.349 1.713 1.00 0.00 H new ATOM 0 HA TYR A 5 3.281 1.481 2.568 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.881 2.243 1.144 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.575 3.346 1.529 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.219 4.106 3.857 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.411 1.445 2.904 1.00 0.00 H new ATOM 0 HE1 TYR A 5 5.253 4.565 6.035 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.439 1.899 5.086 1.00 0.00 H new ATOM 0 HH TYR A 5 8.314 2.998 6.994 1.00 0.00 H new ATOM 93 N LYS A 6 2.331 1.666 0.253 1.00 0.00 N ATOM 94 CA LYS A 6 1.708 1.689 -1.079 1.00 0.00 C ATOM 95 C LYS A 6 1.149 3.085 -1.402 1.00 0.00 C ATOM 96 O LYS A 6 0.386 3.652 -0.620 1.00 0.00 O ATOM 97 CB LYS A 6 0.582 0.648 -1.175 1.00 0.00 C ATOM 98 CG LYS A 6 -0.122 0.635 -2.534 1.00 0.00 C ATOM 99 CD LYS A 6 -1.294 -0.345 -2.572 1.00 0.00 C ATOM 100 CE LYS A 6 -0.847 -1.796 -2.423 1.00 0.00 C ATOM 101 NZ LYS A 6 0.046 -2.226 -3.534 1.00 0.00 N ATOM 0 H LYS A 6 1.780 2.125 0.978 1.00 0.00 H new ATOM 0 HA LYS A 6 2.481 1.443 -1.807 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.995 -0.342 -0.979 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.153 0.847 -0.395 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.483 1.638 -2.763 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.596 0.369 -3.310 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.994 -0.100 -1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.831 -0.228 -3.514 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.327 -1.918 -1.473 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.724 -2.443 -2.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.392 -3.189 -3.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.484 -2.215 -4.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.854 -1.575 -3.602 1.00 0.00 H new ATOM 115 N ILE A 7 1.532 3.633 -2.555 1.00 0.00 N ATOM 116 CA ILE A 7 1.070 4.962 -2.977 1.00 0.00 C ATOM 117 C ILE A 7 -0.058 4.852 -4.020 1.00 0.00 C ATOM 118 O ILE A 7 0.061 4.115 -4.999 1.00 0.00 O ATOM 119 CB ILE A 7 2.228 5.819 -3.574 1.00 0.00 C ATOM 120 CG1 ILE A 7 3.381 6.005 -2.562 1.00 0.00 C ATOM 121 CG2 ILE A 7 1.708 7.181 -4.032 1.00 0.00 C ATOM 122 CD1 ILE A 7 4.247 4.775 -2.356 1.00 0.00 C ATOM 0 H ILE A 7 2.162 3.179 -3.217 1.00 0.00 H new ATOM 0 HA ILE A 7 0.694 5.456 -2.081 1.00 0.00 H new ATOM 0 HB ILE A 7 2.621 5.279 -4.436 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.014 6.826 -2.899 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.959 6.301 -1.601 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.531 7.764 -4.445 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.943 7.040 -4.796 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.279 7.711 -3.182 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.029 4.998 -1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.632 3.955 -1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.703 4.488 -3.304 1.00 0.00 H new ATOM 134 N LEU A 8 -1.150 5.582 -3.798 1.00 0.00 N ATOM 135 CA LEU A 8 -2.281 5.604 -4.739 1.00 0.00 C ATOM 136 C LEU A 8 -3.079 6.912 -4.603 1.00 0.00 C ATOM 137 O LEU A 8 -2.906 7.654 -3.638 1.00 0.00 O ATOM 138 CB LEU A 8 -3.212 4.397 -4.508 1.00 0.00 C ATOM 139 CG LEU A 8 -4.047 4.416 -3.208 1.00 0.00 C ATOM 140 CD1 LEU A 8 -5.024 3.243 -3.179 1.00 0.00 C ATOM 141 CD2 LEU A 8 -3.153 4.389 -1.970 1.00 0.00 C ATOM 0 H LEU A 8 -1.280 6.169 -2.974 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.874 5.544 -5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.896 4.326 -5.353 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.606 3.491 -4.512 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.614 5.347 -3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.603 3.274 -2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.699 3.310 -4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.469 2.306 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.773 4.403 -1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.547 3.483 -1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.500 5.262 -1.974 1.00 0.00 H new ATOM 153 N SER A 9 -3.949 7.196 -5.568 1.00 0.00 N ATOM 154 CA SER A 9 -4.789 8.402 -5.504 1.00 0.00 C ATOM 155 C SER A 9 -5.967 8.182 -4.548 1.00 0.00 C ATOM 156 O SER A 9 -6.528 7.084 -4.487 1.00 0.00 O ATOM 157 CB SER A 9 -5.318 8.780 -6.895 1.00 0.00 C ATOM 158 OG SER A 9 -6.333 7.887 -7.328 1.00 0.00 O ATOM 0 H SER A 9 -4.095 6.619 -6.397 1.00 0.00 H new ATOM 0 HA SER A 9 -4.171 9.220 -5.133 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.712 9.796 -6.871 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.497 8.773 -7.612 1.00 0.00 H new ATOM 0 HG SER A 9 -6.649 8.157 -8.216 1.00 0.00 H new ATOM 164 N ARG A 10 -6.354 9.217 -3.801 1.00 0.00 N ATOM 165 CA ARG A 10 -7.439 9.072 -2.822 1.00 0.00 C ATOM 166 C ARG A 10 -8.769 8.669 -3.485 1.00 0.00 C ATOM 167 O ARG A 10 -9.624 8.061 -2.845 1.00 0.00 O ATOM 168 CB ARG A 10 -7.632 10.347 -1.988 1.00 0.00 C ATOM 169 CG ARG A 10 -8.691 10.171 -0.903 1.00 0.00 C ATOM 170 CD ARG A 10 -8.828 11.381 0.008 1.00 0.00 C ATOM 171 NE ARG A 10 -9.959 11.222 0.925 1.00 0.00 N ATOM 172 CZ ARG A 10 -10.324 12.097 1.822 1.00 0.00 C ATOM 173 NH1 ARG A 10 -9.667 13.201 1.977 1.00 0.00 N ATOM 174 NH2 ARG A 10 -11.354 11.859 2.570 1.00 0.00 N ATOM 0 H ARG A 10 -5.943 10.149 -3.850 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.136 8.266 -2.153 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.684 10.624 -1.527 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.920 11.168 -2.644 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.653 9.969 -1.374 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.442 9.298 -0.300 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.909 11.517 0.578 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.966 12.280 -0.593 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.503 10.362 0.857 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.853 13.396 1.394 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.963 13.876 2.682 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.877 10.990 2.457 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.643 12.540 3.272 1.00 0.00 H new ATOM 188 N ALA A 11 -8.938 8.995 -4.765 1.00 0.00 N ATOM 189 CA ALA A 11 -10.130 8.572 -5.513 1.00 0.00 C ATOM 190 C ALA A 11 -10.275 7.041 -5.513 1.00 0.00 C ATOM 191 O ALA A 11 -11.384 6.509 -5.539 1.00 0.00 O ATOM 192 CB ALA A 11 -10.075 9.099 -6.942 1.00 0.00 C ATOM 0 H ALA A 11 -8.272 9.547 -5.307 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.004 8.992 -5.015 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.965 8.777 -7.483 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.034 10.188 -6.927 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.187 8.709 -7.440 1.00 0.00 H new ATOM 198 N GLU A 12 -9.142 6.341 -5.493 1.00 0.00 N ATOM 199 CA GLU A 12 -9.128 4.873 -5.413 1.00 0.00 C ATOM 200 C GLU A 12 -9.112 4.400 -3.945 1.00 0.00 C ATOM 201 O GLU A 12 -9.714 3.381 -3.594 1.00 0.00 O ATOM 202 CB GLU A 12 -7.909 4.328 -6.176 1.00 0.00 C ATOM 203 CG GLU A 12 -7.763 2.810 -6.138 1.00 0.00 C ATOM 204 CD GLU A 12 -6.626 2.313 -7.021 1.00 0.00 C ATOM 205 OE1 GLU A 12 -5.464 2.710 -6.786 1.00 0.00 O ATOM 206 OE2 GLU A 12 -6.890 1.537 -7.970 1.00 0.00 O ATOM 0 H GLU A 12 -8.215 6.765 -5.531 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.037 4.486 -5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.975 4.648 -7.216 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.007 4.777 -5.761 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.588 2.490 -5.111 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.697 2.350 -6.460 1.00 0.00 H new ATOM 213 N TRP A 13 -8.430 5.160 -3.092 1.00 0.00 N ATOM 214 CA TRP A 13 -8.362 4.862 -1.654 1.00 0.00 C ATOM 215 C TRP A 13 -9.754 4.911 -0.990 1.00 0.00 C ATOM 216 O TRP A 13 -10.172 3.956 -0.329 1.00 0.00 O ATOM 217 CB TRP A 13 -7.402 5.847 -0.967 1.00 0.00 C ATOM 218 CG TRP A 13 -7.344 5.718 0.529 1.00 0.00 C ATOM 219 CD1 TRP A 13 -7.413 6.736 1.441 1.00 0.00 C ATOM 220 CD2 TRP A 13 -7.220 4.506 1.290 1.00 0.00 C ATOM 221 NE1 TRP A 13 -7.327 6.232 2.716 1.00 0.00 N ATOM 222 CE2 TRP A 13 -7.213 4.867 2.650 1.00 0.00 C ATOM 223 CE3 TRP A 13 -7.116 3.151 0.954 1.00 0.00 C ATOM 224 CZ2 TRP A 13 -7.102 3.925 3.671 1.00 0.00 C ATOM 225 CZ3 TRP A 13 -7.007 2.219 1.968 1.00 0.00 C ATOM 226 CH2 TRP A 13 -7.004 2.609 3.312 1.00 0.00 C ATOM 0 H TRP A 13 -7.912 5.994 -3.369 1.00 0.00 H new ATOM 0 HA TRP A 13 -7.986 3.846 -1.537 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.400 5.700 -1.371 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.702 6.864 -1.220 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -7.519 7.782 1.195 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -7.345 6.784 3.574 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -7.121 2.840 -0.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.094 4.224 4.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -6.923 1.171 1.719 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -6.923 1.855 4.081 1.00 0.00 H new ATOM 237 N ASP A 14 -10.461 6.028 -1.162 1.00 0.00 N ATOM 238 CA ASP A 14 -11.820 6.177 -0.629 1.00 0.00 C ATOM 239 C ASP A 14 -12.771 5.101 -1.175 1.00 0.00 C ATOM 240 O ASP A 14 -13.713 4.698 -0.492 1.00 0.00 O ATOM 241 CB ASP A 14 -12.360 7.584 -0.924 1.00 0.00 C ATOM 242 CG ASP A 14 -11.887 8.618 0.090 1.00 0.00 C ATOM 243 OD1 ASP A 14 -10.799 8.443 0.673 1.00 0.00 O ATOM 244 OD2 ASP A 14 -12.619 9.605 0.323 1.00 0.00 O ATOM 0 H ASP A 14 -10.117 6.845 -1.666 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.767 6.041 0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.044 7.888 -1.922 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.450 7.557 -0.929 1.00 0.00 H new ATOM 249 N ALA A 15 -12.525 4.630 -2.400 1.00 0.00 N ATOM 250 CA ALA A 15 -13.278 3.493 -2.941 1.00 0.00 C ATOM 251 C ALA A 15 -13.137 2.278 -2.018 1.00 0.00 C ATOM 252 O ALA A 15 -14.126 1.668 -1.616 1.00 0.00 O ATOM 253 CB ALA A 15 -12.807 3.142 -4.349 1.00 0.00 C ATOM 0 H ALA A 15 -11.820 5.012 -3.030 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.329 3.778 -2.996 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.382 2.296 -4.725 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.952 4.000 -5.006 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.749 2.879 -4.324 1.00 0.00 H new ATOM 259 N ALA A 16 -11.895 1.958 -1.663 1.00 0.00 N ATOM 260 CA ALA A 16 -11.608 0.855 -0.743 1.00 0.00 C ATOM 261 C ALA A 16 -12.296 1.058 0.618 1.00 0.00 C ATOM 262 O ALA A 16 -12.955 0.154 1.133 1.00 0.00 O ATOM 263 CB ALA A 16 -10.104 0.711 -0.558 1.00 0.00 C ATOM 0 H ALA A 16 -11.066 2.448 -1.999 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.007 -0.060 -1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.899 -0.111 0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.637 0.506 -1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.698 1.635 -0.148 1.00 0.00 H new ATOM 269 N LYS A 17 -12.145 2.254 1.194 1.00 0.00 N ATOM 270 CA LYS A 17 -12.767 2.572 2.489 1.00 0.00 C ATOM 271 C LYS A 17 -14.303 2.501 2.419 1.00 0.00 C ATOM 272 O LYS A 17 -14.961 2.173 3.407 1.00 0.00 O ATOM 273 CB LYS A 17 -12.316 3.954 2.989 1.00 0.00 C ATOM 274 CG LYS A 17 -10.830 4.022 3.334 1.00 0.00 C ATOM 275 CD LYS A 17 -10.468 5.313 4.073 1.00 0.00 C ATOM 276 CE LYS A 17 -10.687 6.553 3.214 1.00 0.00 C ATOM 277 NZ LYS A 17 -10.283 7.800 3.919 1.00 0.00 N ATOM 0 H LYS A 17 -11.601 3.016 0.789 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.433 1.817 3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.538 4.698 2.224 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.898 4.220 3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.562 3.164 3.951 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.242 3.952 2.419 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.069 5.391 4.979 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.425 5.270 4.385 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.117 6.459 2.290 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.739 6.619 2.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.221 8.581 3.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.989 8.032 4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.356 7.660 4.369 1.00 0.00 H new ATOM 291 N ALA A 18 -14.867 2.807 1.252 1.00 0.00 N ATOM 292 CA ALA A 18 -16.311 2.664 1.029 1.00 0.00 C ATOM 293 C ALA A 18 -16.699 1.186 0.868 1.00 0.00 C ATOM 294 O ALA A 18 -17.759 0.753 1.322 1.00 0.00 O ATOM 295 CB ALA A 18 -16.740 3.463 -0.197 1.00 0.00 C ATOM 0 H ALA A 18 -14.350 3.155 0.445 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.830 3.057 1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.813 3.347 -0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.507 4.517 -0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -16.207 3.097 -1.075 1.00 0.00 H new ATOM 301 N GLN A 19 -15.823 0.424 0.214 1.00 0.00 N ATOM 302 CA GLN A 19 -16.007 -1.021 0.016 1.00 0.00 C ATOM 303 C GLN A 19 -15.812 -1.804 1.322 1.00 0.00 C ATOM 304 O GLN A 19 -16.343 -2.904 1.489 1.00 0.00 O ATOM 305 CB GLN A 19 -15.005 -1.525 -1.037 1.00 0.00 C ATOM 306 CG GLN A 19 -15.298 -1.036 -2.453 1.00 0.00 C ATOM 307 CD GLN A 19 -14.118 -1.181 -3.412 1.00 0.00 C ATOM 308 OE1 GLN A 19 -13.990 -0.422 -4.370 1.00 0.00 O ATOM 309 NE2 GLN A 19 -13.238 -2.133 -3.165 1.00 0.00 N ATOM 0 H GLN A 19 -14.963 0.788 -0.196 1.00 0.00 H new ATOM 0 HA GLN A 19 -17.029 -1.185 -0.325 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.002 -1.205 -0.753 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -15.005 -2.615 -1.032 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -16.148 -1.591 -2.851 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.594 0.012 -2.411 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.366 -2.751 -2.363 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.430 -2.251 -3.776 1.00 0.00 H new ATOM 318 N GLY A 20 -15.033 -1.235 2.238 1.00 0.00 N ATOM 319 CA GLY A 20 -14.690 -1.928 3.474 1.00 0.00 C ATOM 320 C GLY A 20 -13.448 -2.798 3.321 1.00 0.00 C ATOM 321 O GLY A 20 -12.826 -3.202 4.309 1.00 0.00 O ATOM 0 H GLY A 20 -14.630 -0.302 2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.524 -1.196 4.265 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -15.530 -2.549 3.786 1.00 0.00 H new ATOM 325 N ARG A 21 -13.062 -3.062 2.076 1.00 0.00 N ATOM 326 CA ARG A 21 -11.920 -3.932 1.790 1.00 0.00 C ATOM 327 C ARG A 21 -11.077 -3.389 0.623 1.00 0.00 C ATOM 328 O ARG A 21 -11.598 -2.765 -0.302 1.00 0.00 O ATOM 329 CB ARG A 21 -12.419 -5.347 1.470 1.00 0.00 C ATOM 330 CG ARG A 21 -11.317 -6.400 1.448 1.00 0.00 C ATOM 331 CD ARG A 21 -11.875 -7.803 1.245 1.00 0.00 C ATOM 332 NE ARG A 21 -10.913 -8.842 1.618 1.00 0.00 N ATOM 333 CZ ARG A 21 -11.230 -10.098 1.799 1.00 0.00 C ATOM 334 NH1 ARG A 21 -12.449 -10.496 1.637 1.00 0.00 N ATOM 335 NH2 ARG A 21 -10.329 -10.953 2.157 1.00 0.00 N ATOM 0 H ARG A 21 -13.522 -2.687 1.247 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.282 -3.961 2.673 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.167 -5.634 2.209 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -12.917 -5.336 0.500 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.612 -6.171 0.649 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.761 -6.363 2.385 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.782 -7.920 1.838 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.159 -7.931 0.200 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.938 -8.570 1.744 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.172 -9.829 1.366 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.688 -11.477 1.780 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.366 -10.649 2.300 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.581 -11.931 2.297 1.00 0.00 H new ATOM 349 N PHE A 22 -9.770 -3.628 0.689 1.00 0.00 N ATOM 350 CA PHE A 22 -8.835 -3.213 -0.360 1.00 0.00 C ATOM 351 C PHE A 22 -8.175 -4.439 -1.021 1.00 0.00 C ATOM 352 O PHE A 22 -7.119 -4.904 -0.584 1.00 0.00 O ATOM 353 CB PHE A 22 -7.765 -2.282 0.236 1.00 0.00 C ATOM 354 CG PHE A 22 -6.780 -1.726 -0.770 1.00 0.00 C ATOM 355 CD1 PHE A 22 -7.206 -0.863 -1.771 1.00 0.00 C ATOM 356 CD2 PHE A 22 -5.430 -2.054 -0.708 1.00 0.00 C ATOM 357 CE1 PHE A 22 -6.310 -0.345 -2.688 1.00 0.00 C ATOM 358 CE2 PHE A 22 -4.534 -1.536 -1.622 1.00 0.00 C ATOM 359 CZ PHE A 22 -4.974 -0.680 -2.611 1.00 0.00 C ATOM 0 H PHE A 22 -9.327 -4.114 1.469 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.388 -2.673 -1.129 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.263 -1.450 0.734 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.213 -2.828 1.001 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.250 -0.593 -1.834 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.078 -2.722 0.064 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.656 0.322 -3.464 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.489 -1.801 -1.563 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.273 -0.273 -3.324 1.00 0.00 H new ATOM 369 N GLU A 23 -8.819 -4.982 -2.054 1.00 0.00 N ATOM 370 CA GLU A 23 -8.250 -6.107 -2.814 1.00 0.00 C ATOM 371 C GLU A 23 -6.975 -5.688 -3.561 1.00 0.00 C ATOM 372 O GLU A 23 -6.206 -6.531 -4.028 1.00 0.00 O ATOM 373 CB GLU A 23 -9.270 -6.678 -3.816 1.00 0.00 C ATOM 374 CG GLU A 23 -10.566 -7.183 -3.181 1.00 0.00 C ATOM 375 CD GLU A 23 -11.593 -6.083 -2.958 1.00 0.00 C ATOM 376 OE1 GLU A 23 -12.408 -5.838 -3.872 1.00 0.00 O ATOM 377 OE2 GLU A 23 -11.598 -5.468 -1.875 1.00 0.00 O ATOM 0 H GLU A 23 -9.730 -4.667 -2.386 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.995 -6.882 -2.091 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.514 -5.907 -4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.804 -7.498 -4.362 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.000 -7.952 -3.820 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.335 -7.655 -2.226 1.00 0.00 H new ATOM 384 N GLY A 24 -6.766 -4.379 -3.680 1.00 0.00 N ATOM 385 CA GLY A 24 -5.577 -3.855 -4.336 1.00 0.00 C ATOM 386 C GLY A 24 -5.887 -2.738 -5.328 1.00 0.00 C ATOM 387 O GLY A 24 -7.049 -2.405 -5.561 1.00 0.00 O ATOM 0 H GLY A 24 -7.405 -3.665 -3.330 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.887 -3.481 -3.580 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.069 -4.666 -4.858 1.00 0.00 H new ATOM 391 N SER A 25 -4.843 -2.145 -5.899 1.00 0.00 N ATOM 392 CA SER A 25 -5.006 -1.119 -6.938 1.00 0.00 C ATOM 393 C SER A 25 -5.402 -1.764 -8.270 1.00 0.00 C ATOM 394 O SER A 25 -5.590 -2.978 -8.345 1.00 0.00 O ATOM 395 CB SER A 25 -3.697 -0.344 -7.133 1.00 0.00 C ATOM 396 OG SER A 25 -2.687 -1.180 -7.688 1.00 0.00 O ATOM 0 H SER A 25 -3.873 -2.353 -5.664 1.00 0.00 H new ATOM 0 HA SER A 25 -5.792 -0.436 -6.616 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.869 0.509 -7.790 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.360 0.054 -6.176 1.00 0.00 H new ATOM 0 HG SER A 25 -2.275 -1.712 -6.976 1.00 0.00 H new ATOM 402 N ALA A 26 -5.524 -0.960 -9.322 1.00 0.00 N ATOM 403 CA ALA A 26 -5.733 -1.497 -10.670 1.00 0.00 C ATOM 404 C ALA A 26 -4.636 -2.515 -11.024 1.00 0.00 C ATOM 405 O ALA A 26 -4.890 -3.525 -11.688 1.00 0.00 O ATOM 406 CB ALA A 26 -5.763 -0.367 -11.696 1.00 0.00 C ATOM 0 H ALA A 26 -5.483 0.058 -9.272 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.695 -2.009 -10.690 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.919 -0.783 -12.691 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.576 0.319 -11.458 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.815 0.171 -11.672 1.00 0.00 H new ATOM 412 N VAL A 27 -3.420 -2.244 -10.547 1.00 0.00 N ATOM 413 CA VAL A 27 -2.269 -3.121 -10.785 1.00 0.00 C ATOM 414 C VAL A 27 -2.297 -4.355 -9.864 1.00 0.00 C ATOM 415 O VAL A 27 -2.199 -5.490 -10.331 1.00 0.00 O ATOM 416 CB VAL A 27 -0.933 -2.359 -10.584 1.00 0.00 C ATOM 417 CG1 VAL A 27 0.267 -3.261 -10.883 1.00 0.00 C ATOM 418 CG2 VAL A 27 -0.896 -1.097 -11.451 1.00 0.00 C ATOM 0 H VAL A 27 -3.205 -1.418 -9.989 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.337 -3.456 -11.820 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.871 -2.058 -9.538 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.190 -2.700 -10.734 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.252 -4.120 -10.213 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.215 -3.606 -11.916 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.049 -0.577 -11.296 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.989 -1.374 -12.501 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.721 -0.441 -11.174 1.00 0.00 H new ATOM 428 N ASP A 28 -2.437 -4.130 -8.555 1.00 0.00 N ATOM 429 CA ASP A 28 -2.487 -5.235 -7.587 1.00 0.00 C ATOM 430 C ASP A 28 -3.638 -6.205 -7.907 1.00 0.00 C ATOM 431 O ASP A 28 -3.476 -7.421 -7.840 1.00 0.00 O ATOM 432 CB ASP A 28 -2.655 -4.705 -6.159 1.00 0.00 C ATOM 433 CG ASP A 28 -1.548 -3.754 -5.731 1.00 0.00 C ATOM 434 OD1 ASP A 28 -0.394 -4.197 -5.577 1.00 0.00 O ATOM 435 OD2 ASP A 28 -1.836 -2.560 -5.505 1.00 0.00 O ATOM 0 H ASP A 28 -2.517 -3.201 -8.141 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.541 -5.772 -7.662 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.614 -4.193 -6.081 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.686 -5.548 -5.468 1.00 0.00 H new ATOM 440 N LEU A 29 -4.799 -5.654 -8.259 1.00 0.00 N ATOM 441 CA LEU A 29 -5.974 -6.463 -8.607 1.00 0.00 C ATOM 442 C LEU A 29 -5.773 -7.196 -9.947 1.00 0.00 C ATOM 443 O LEU A 29 -6.245 -8.320 -10.122 1.00 0.00 O ATOM 444 CB LEU A 29 -7.231 -5.580 -8.667 1.00 0.00 C ATOM 445 CG LEU A 29 -8.559 -6.323 -8.909 1.00 0.00 C ATOM 446 CD1 LEU A 29 -8.838 -7.324 -7.789 1.00 0.00 C ATOM 447 CD2 LEU A 29 -9.714 -5.330 -9.050 1.00 0.00 C ATOM 0 H LEU A 29 -4.955 -4.647 -8.312 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.105 -7.215 -7.829 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.310 -5.028 -7.730 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.098 -4.844 -9.460 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.470 -6.880 -9.842 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.781 -7.835 -7.984 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.031 -8.056 -7.746 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.901 -6.797 -6.837 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.643 -5.874 -9.220 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.801 -4.741 -8.137 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.522 -4.666 -9.893 1.00 0.00 H new ATOM 459 N ALA A 30 -5.076 -6.551 -10.891 1.00 0.00 N ATOM 460 CA ALA A 30 -4.730 -7.191 -12.170 1.00 0.00 C ATOM 461 C ALA A 30 -3.918 -8.475 -11.939 1.00 0.00 C ATOM 462 O ALA A 30 -4.251 -9.541 -12.461 1.00 0.00 O ATOM 463 CB ALA A 30 -3.952 -6.223 -13.057 1.00 0.00 C ATOM 0 H ALA A 30 -4.741 -5.592 -10.796 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.657 -7.461 -12.676 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.704 -6.712 -13.999 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.561 -5.341 -13.255 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.034 -5.923 -12.551 1.00 0.00 H new ATOM 469 N ASP A 31 -2.850 -8.360 -11.153 1.00 0.00 N ATOM 470 CA ASP A 31 -2.046 -9.519 -10.748 1.00 0.00 C ATOM 471 C ASP A 31 -2.828 -10.443 -9.796 1.00 0.00 C ATOM 472 O ASP A 31 -2.674 -11.665 -9.825 1.00 0.00 O ATOM 473 CB ASP A 31 -0.758 -9.048 -10.056 1.00 0.00 C ATOM 474 CG ASP A 31 0.203 -8.338 -10.994 1.00 0.00 C ATOM 475 OD1 ASP A 31 -0.250 -7.549 -11.846 1.00 0.00 O ATOM 476 OD2 ASP A 31 1.428 -8.554 -10.865 1.00 0.00 O ATOM 0 H ASP A 31 -2.517 -7.471 -10.780 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.799 -10.082 -11.648 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.018 -8.377 -9.237 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.255 -9.909 -9.615 1.00 0.00 H new ATOM 481 N GLY A 32 -3.662 -9.845 -8.949 1.00 0.00 N ATOM 482 CA GLY A 32 -4.398 -10.596 -7.933 1.00 0.00 C ATOM 483 C GLY A 32 -3.705 -10.569 -6.575 1.00 0.00 C ATOM 484 O GLY A 32 -4.351 -10.430 -5.533 1.00 0.00 O ATOM 0 H GLY A 32 -3.846 -8.842 -8.945 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.401 -10.181 -7.834 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.511 -11.630 -8.260 1.00 0.00 H new ATOM 488 N PHE A 33 -2.380 -10.687 -6.594 1.00 0.00 N ATOM 489 CA PHE A 33 -1.572 -10.693 -5.370 1.00 0.00 C ATOM 490 C PHE A 33 -0.976 -9.300 -5.101 1.00 0.00 C ATOM 491 O PHE A 33 -0.169 -8.797 -5.888 1.00 0.00 O ATOM 492 CB PHE A 33 -0.453 -11.736 -5.489 1.00 0.00 C ATOM 493 CG PHE A 33 -0.956 -13.113 -5.853 1.00 0.00 C ATOM 494 CD1 PHE A 33 -1.458 -13.967 -4.880 1.00 0.00 C ATOM 495 CD2 PHE A 33 -0.938 -13.549 -7.173 1.00 0.00 C ATOM 496 CE1 PHE A 33 -1.930 -15.223 -5.214 1.00 0.00 C ATOM 497 CE2 PHE A 33 -1.408 -14.805 -7.510 1.00 0.00 C ATOM 498 CZ PHE A 33 -1.905 -15.642 -6.530 1.00 0.00 C ATOM 0 H PHE A 33 -1.835 -10.781 -7.451 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.216 -10.954 -4.530 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.262 -11.407 -6.243 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.085 -11.792 -4.542 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.480 -13.646 -3.849 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.552 -12.899 -7.944 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.318 -15.876 -4.446 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.387 -15.132 -8.539 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.274 -16.623 -6.792 1.00 0.00 H new ATOM 508 N ILE A 34 -1.352 -8.703 -3.973 1.00 0.00 N ATOM 509 CA ILE A 34 -0.992 -7.314 -3.659 1.00 0.00 C ATOM 510 C ILE A 34 0.525 -7.116 -3.483 1.00 0.00 C ATOM 511 O ILE A 34 1.165 -7.757 -2.643 1.00 0.00 O ATOM 512 CB ILE A 34 -1.723 -6.831 -2.378 1.00 0.00 C ATOM 513 CG1 ILE A 34 -3.246 -6.967 -2.547 1.00 0.00 C ATOM 514 CG2 ILE A 34 -1.344 -5.386 -2.049 1.00 0.00 C ATOM 515 CD1 ILE A 34 -4.042 -6.565 -1.319 1.00 0.00 C ATOM 0 H ILE A 34 -1.911 -9.160 -3.253 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.309 -6.718 -4.515 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.409 -7.461 -1.546 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.564 -6.354 -3.390 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.482 -8.001 -2.798 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.868 -5.069 -1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.268 -5.320 -1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.625 -4.738 -2.879 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.106 -6.689 -1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.755 -7.195 -0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.837 -5.522 -1.078 1.00 0.00 H new ATOM 527 N HIS A 35 1.090 -6.215 -4.288 1.00 0.00 N ATOM 528 CA HIS A 35 2.504 -5.840 -4.178 1.00 0.00 C ATOM 529 C HIS A 35 2.690 -4.764 -3.093 1.00 0.00 C ATOM 530 O HIS A 35 2.043 -3.714 -3.135 1.00 0.00 O ATOM 531 CB HIS A 35 3.028 -5.308 -5.523 1.00 0.00 C ATOM 532 CG HIS A 35 2.908 -6.275 -6.663 1.00 0.00 C ATOM 533 ND1 HIS A 35 3.985 -6.956 -7.192 1.00 0.00 N ATOM 534 CD2 HIS A 35 1.834 -6.654 -7.398 1.00 0.00 C ATOM 535 CE1 HIS A 35 3.582 -7.705 -8.196 1.00 0.00 C ATOM 536 NE2 HIS A 35 2.284 -7.544 -8.341 1.00 0.00 N ATOM 0 H HIS A 35 0.587 -5.727 -5.029 1.00 0.00 H new ATOM 0 HA HIS A 35 3.070 -6.730 -3.902 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.484 -4.398 -5.776 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.076 -5.031 -5.407 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.816 -6.319 -7.266 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.210 -8.344 -8.799 1.00 0.00 H new ATOM 0 HE2 HIS A 35 1.705 -8.007 -9.042 1.00 0.00 H new ATOM 545 N LEU A 36 3.561 -5.026 -2.122 1.00 0.00 N ATOM 546 CA LEU A 36 3.813 -4.068 -1.037 1.00 0.00 C ATOM 547 C LEU A 36 5.238 -3.506 -1.099 1.00 0.00 C ATOM 548 O LEU A 36 5.430 -2.312 -1.325 1.00 0.00 O ATOM 549 CB LEU A 36 3.546 -4.729 0.323 1.00 0.00 C ATOM 550 CG LEU A 36 2.094 -5.184 0.550 1.00 0.00 C ATOM 551 CD1 LEU A 36 1.948 -5.892 1.894 1.00 0.00 C ATOM 552 CD2 LEU A 36 1.136 -3.995 0.457 1.00 0.00 C ATOM 0 H LEU A 36 4.104 -5.887 -2.060 1.00 0.00 H new ATOM 0 HA LEU A 36 3.129 -3.229 -1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.202 -5.593 0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.819 -4.027 1.111 1.00 0.00 H new ATOM 0 HG LEU A 36 1.835 -5.895 -0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.912 -6.204 2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.597 -6.768 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.231 -5.211 2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.114 -4.337 0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.397 -3.257 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.213 -3.542 -0.531 1.00 0.00 H new ATOM 564 N SER A 37 6.222 -4.382 -0.911 1.00 0.00 N ATOM 565 CA SER A 37 7.652 -4.002 -0.940 1.00 0.00 C ATOM 566 C SER A 37 8.063 -3.223 0.321 1.00 0.00 C ATOM 567 O SER A 37 7.234 -2.597 0.983 1.00 0.00 O ATOM 568 CB SER A 37 7.995 -3.182 -2.200 1.00 0.00 C ATOM 569 OG SER A 37 7.634 -3.875 -3.390 1.00 0.00 O ATOM 0 H SER A 37 6.063 -5.374 -0.734 1.00 0.00 H new ATOM 0 HA SER A 37 8.219 -4.932 -0.967 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.476 -2.224 -2.164 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.063 -2.965 -2.214 1.00 0.00 H new ATOM 0 HG SER A 37 7.863 -3.327 -4.170 1.00 0.00 H new ATOM 575 N ALA A 38 9.352 -3.278 0.657 1.00 0.00 N ATOM 576 CA ALA A 38 9.874 -2.606 1.857 1.00 0.00 C ATOM 577 C ALA A 38 10.079 -1.093 1.637 1.00 0.00 C ATOM 578 O ALA A 38 9.781 -0.566 0.564 1.00 0.00 O ATOM 579 CB ALA A 38 11.177 -3.266 2.295 1.00 0.00 C ATOM 0 H ALA A 38 10.057 -3.780 0.118 1.00 0.00 H new ATOM 0 HA ALA A 38 9.130 -2.713 2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.558 -2.764 3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 38 10.995 -4.316 2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.911 -3.190 1.493 1.00 0.00 H new ATOM 585 N GLY A 39 10.618 -0.410 2.655 1.00 0.00 N ATOM 586 CA GLY A 39 10.750 1.051 2.626 1.00 0.00 C ATOM 587 C GLY A 39 11.464 1.594 1.386 1.00 0.00 C ATOM 588 O GLY A 39 10.860 2.311 0.580 1.00 0.00 O ATOM 0 H GLY A 39 10.969 -0.846 3.508 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.756 1.495 2.682 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.294 1.373 3.514 1.00 0.00 H new ATOM 592 N GLU A 40 12.749 1.261 1.229 1.00 0.00 N ATOM 593 CA GLU A 40 13.529 1.729 0.071 1.00 0.00 C ATOM 594 C GLU A 40 12.861 1.317 -1.249 1.00 0.00 C ATOM 595 O GLU A 40 12.679 2.137 -2.151 1.00 0.00 O ATOM 596 CB GLU A 40 14.970 1.185 0.106 1.00 0.00 C ATOM 597 CG GLU A 40 15.825 1.704 1.264 1.00 0.00 C ATOM 598 CD GLU A 40 15.421 1.136 2.615 1.00 0.00 C ATOM 599 OE1 GLU A 40 15.456 -0.101 2.774 1.00 0.00 O ATOM 600 OE2 GLU A 40 15.082 1.921 3.527 1.00 0.00 O ATOM 0 H GLU A 40 13.270 0.675 1.881 1.00 0.00 H new ATOM 0 HA GLU A 40 13.563 2.817 0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.931 0.097 0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.462 1.439 -0.833 1.00 0.00 H new ATOM 0 HG2 GLU A 40 16.870 1.459 1.073 1.00 0.00 H new ATOM 0 HG3 GLU A 40 15.754 2.791 1.299 1.00 0.00 H new ATOM 607 N GLN A 41 12.471 0.046 -1.336 1.00 0.00 N ATOM 608 CA GLN A 41 11.834 -0.497 -2.542 1.00 0.00 C ATOM 609 C GLN A 41 10.567 0.301 -2.903 1.00 0.00 C ATOM 610 O GLN A 41 10.255 0.504 -4.082 1.00 0.00 O ATOM 611 CB GLN A 41 11.473 -1.978 -2.325 1.00 0.00 C ATOM 612 CG GLN A 41 12.571 -2.795 -1.649 1.00 0.00 C ATOM 613 CD GLN A 41 12.205 -4.265 -1.490 1.00 0.00 C ATOM 614 OE1 GLN A 41 11.573 -4.657 -0.518 1.00 0.00 O ATOM 615 NE2 GLN A 41 12.611 -5.092 -2.431 1.00 0.00 N ATOM 0 H GLN A 41 12.584 -0.633 -0.583 1.00 0.00 H new ATOM 0 HA GLN A 41 12.541 -0.413 -3.368 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.568 -2.035 -1.720 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.241 -2.429 -3.290 1.00 0.00 H new ATOM 0 HG2 GLN A 41 13.488 -2.715 -2.233 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.781 -2.370 -0.667 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.136 -4.737 -3.230 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.400 -6.088 -2.361 1.00 0.00 H new ATOM 624 N ALA A 42 9.848 0.751 -1.874 1.00 0.00 N ATOM 625 CA ALA A 42 8.625 1.535 -2.056 1.00 0.00 C ATOM 626 C ALA A 42 8.921 2.937 -2.617 1.00 0.00 C ATOM 627 O ALA A 42 8.294 3.364 -3.585 1.00 0.00 O ATOM 628 CB ALA A 42 7.862 1.639 -0.736 1.00 0.00 C ATOM 0 H ALA A 42 10.094 0.584 -0.898 1.00 0.00 H new ATOM 0 HA ALA A 42 8.006 1.015 -2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.955 2.224 -0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.596 0.640 -0.390 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.490 2.127 0.010 1.00 0.00 H new ATOM 634 N GLN A 43 9.883 3.648 -2.016 1.00 0.00 N ATOM 635 CA GLN A 43 10.237 5.004 -2.472 1.00 0.00 C ATOM 636 C GLN A 43 10.851 4.982 -3.886 1.00 0.00 C ATOM 637 O GLN A 43 10.628 5.900 -4.679 1.00 0.00 O ATOM 638 CB GLN A 43 11.192 5.695 -1.479 1.00 0.00 C ATOM 639 CG GLN A 43 11.605 7.110 -1.897 1.00 0.00 C ATOM 640 CD GLN A 43 12.399 7.846 -0.824 1.00 0.00 C ATOM 641 OE1 GLN A 43 13.612 7.708 -0.732 1.00 0.00 O ATOM 642 NE2 GLN A 43 11.732 8.671 -0.027 1.00 0.00 N ATOM 0 H GLN A 43 10.427 3.314 -1.221 1.00 0.00 H new ATOM 0 HA GLN A 43 9.313 5.581 -2.515 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.713 5.741 -0.501 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.088 5.084 -1.366 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.202 7.053 -2.807 1.00 0.00 H new ATOM 0 HG3 GLN A 43 10.711 7.686 -2.138 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.721 8.768 -0.124 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.230 9.208 0.683 1.00 0.00 H new ATOM 651 N GLU A 44 11.616 3.933 -4.202 1.00 0.00 N ATOM 652 CA GLU A 44 12.170 3.763 -5.556 1.00 0.00 C ATOM 653 C GLU A 44 11.052 3.562 -6.589 1.00 0.00 C ATOM 654 O GLU A 44 11.012 4.240 -7.617 1.00 0.00 O ATOM 655 CB GLU A 44 13.145 2.574 -5.616 1.00 0.00 C ATOM 656 CG GLU A 44 14.379 2.727 -4.731 1.00 0.00 C ATOM 657 CD GLU A 44 15.395 1.615 -4.953 1.00 0.00 C ATOM 658 OE1 GLU A 44 15.216 0.509 -4.399 1.00 0.00 O ATOM 659 OE2 GLU A 44 16.370 1.836 -5.704 1.00 0.00 O ATOM 0 H GLU A 44 11.867 3.192 -3.547 1.00 0.00 H new ATOM 0 HA GLU A 44 12.715 4.676 -5.796 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.613 1.668 -5.324 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.468 2.436 -6.648 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.849 3.690 -4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.074 2.733 -3.685 1.00 0.00 H new ATOM 666 N THR A 45 10.147 2.621 -6.314 1.00 0.00 N ATOM 667 CA THR A 45 8.980 2.398 -7.181 1.00 0.00 C ATOM 668 C THR A 45 8.122 3.664 -7.260 1.00 0.00 C ATOM 669 O THR A 45 7.623 4.031 -8.322 1.00 0.00 O ATOM 670 CB THR A 45 8.095 1.230 -6.676 1.00 0.00 C ATOM 671 OG1 THR A 45 8.871 0.025 -6.576 1.00 0.00 O ATOM 672 CG2 THR A 45 6.903 0.996 -7.605 1.00 0.00 C ATOM 0 H THR A 45 10.195 2.003 -5.504 1.00 0.00 H new ATOM 0 HA THR A 45 9.366 2.141 -8.168 1.00 0.00 H new ATOM 0 HB THR A 45 7.717 1.502 -5.691 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.407 0.048 -5.756 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.301 0.171 -7.224 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.294 1.899 -7.650 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.263 0.752 -8.604 1.00 0.00 H new ATOM 680 N ALA A 46 7.970 4.333 -6.122 1.00 0.00 N ATOM 681 CA ALA A 46 7.187 5.564 -6.043 1.00 0.00 C ATOM 682 C ALA A 46 7.772 6.667 -6.935 1.00 0.00 C ATOM 683 O ALA A 46 7.046 7.310 -7.687 1.00 0.00 O ATOM 684 CB ALA A 46 7.102 6.040 -4.599 1.00 0.00 C ATOM 0 H ALA A 46 8.381 4.042 -5.235 1.00 0.00 H new ATOM 0 HA ALA A 46 6.184 5.344 -6.407 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.516 6.958 -4.552 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.623 5.273 -3.991 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.106 6.230 -4.219 1.00 0.00 H new ATOM 690 N ALA A 47 9.087 6.871 -6.849 1.00 0.00 N ATOM 691 CA ALA A 47 9.772 7.909 -7.634 1.00 0.00 C ATOM 692 C ALA A 47 9.487 7.775 -9.135 1.00 0.00 C ATOM 693 O ALA A 47 9.271 8.765 -9.837 1.00 0.00 O ATOM 694 CB ALA A 47 11.276 7.839 -7.384 1.00 0.00 C ATOM 0 H ALA A 47 9.704 6.331 -6.243 1.00 0.00 H new ATOM 0 HA ALA A 47 9.387 8.876 -7.310 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.778 8.610 -7.968 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.477 7.998 -6.324 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.649 6.859 -7.681 1.00 0.00 H new ATOM 700 N LYS A 48 9.485 6.539 -9.613 1.00 0.00 N ATOM 701 CA LYS A 48 9.315 6.246 -11.026 1.00 0.00 C ATOM 702 C LYS A 48 7.834 6.146 -11.438 1.00 0.00 C ATOM 703 O LYS A 48 7.440 6.654 -12.489 1.00 0.00 O ATOM 704 CB LYS A 48 10.022 4.924 -11.332 1.00 0.00 C ATOM 705 CG LYS A 48 11.491 4.900 -10.919 1.00 0.00 C ATOM 706 CD LYS A 48 12.130 3.535 -11.165 1.00 0.00 C ATOM 707 CE LYS A 48 13.578 3.490 -10.686 1.00 0.00 C ATOM 708 NZ LYS A 48 14.433 4.497 -11.372 1.00 0.00 N ATOM 0 H LYS A 48 9.602 5.710 -9.030 1.00 0.00 H new ATOM 0 HA LYS A 48 9.747 7.068 -11.597 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.498 4.116 -10.822 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.952 4.724 -12.401 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.037 5.662 -11.475 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.575 5.155 -9.863 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.553 2.766 -10.651 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.092 3.303 -12.229 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.608 3.664 -9.610 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.985 2.494 -10.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.430 4.329 -11.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.309 4.414 -12.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.158 5.452 -11.066 1.00 0.00 H new ATOM 722 N TRP A 49 7.018 5.500 -10.604 1.00 0.00 N ATOM 723 CA TRP A 49 5.664 5.088 -11.015 1.00 0.00 C ATOM 724 C TRP A 49 4.519 5.825 -10.285 1.00 0.00 C ATOM 725 O TRP A 49 3.353 5.633 -10.636 1.00 0.00 O ATOM 726 CB TRP A 49 5.508 3.574 -10.809 1.00 0.00 C ATOM 727 CG TRP A 49 6.547 2.759 -11.535 1.00 0.00 C ATOM 728 CD1 TRP A 49 7.575 2.050 -10.978 1.00 0.00 C ATOM 729 CD2 TRP A 49 6.663 2.581 -12.952 1.00 0.00 C ATOM 730 NE1 TRP A 49 8.315 1.437 -11.960 1.00 0.00 N ATOM 731 CE2 TRP A 49 7.778 1.751 -13.180 1.00 0.00 C ATOM 732 CE3 TRP A 49 5.932 3.045 -14.051 1.00 0.00 C ATOM 733 CZ2 TRP A 49 8.174 1.370 -14.460 1.00 0.00 C ATOM 734 CZ3 TRP A 49 6.328 2.667 -15.321 1.00 0.00 C ATOM 735 CH2 TRP A 49 7.441 1.838 -15.516 1.00 0.00 C ATOM 0 H TRP A 49 7.263 5.250 -9.646 1.00 0.00 H new ATOM 0 HA TRP A 49 5.574 5.360 -12.067 1.00 0.00 H new ATOM 0 HB2 TRP A 49 5.563 3.353 -9.743 1.00 0.00 H new ATOM 0 HB3 TRP A 49 4.517 3.269 -11.147 1.00 0.00 H new ATOM 0 HD1 TRP A 49 7.776 1.982 -9.919 1.00 0.00 H new ATOM 0 HE1 TRP A 49 9.131 0.845 -11.806 1.00 0.00 H new ATOM 0 HE3 TRP A 49 5.075 3.686 -13.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 9.029 0.728 -14.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 5.770 3.017 -16.177 1.00 0.00 H new ATOM 0 HH2 TRP A 49 7.726 1.563 -16.521 1.00 0.00 H new ATOM 746 N PHE A 50 4.821 6.658 -9.284 1.00 0.00 N ATOM 747 CA PHE A 50 3.751 7.302 -8.488 1.00 0.00 C ATOM 748 C PHE A 50 4.087 8.733 -8.039 1.00 0.00 C ATOM 749 O PHE A 50 3.470 9.700 -8.490 1.00 0.00 O ATOM 750 CB PHE A 50 3.411 6.453 -7.251 1.00 0.00 C ATOM 751 CG PHE A 50 2.671 5.179 -7.565 1.00 0.00 C ATOM 752 CD1 PHE A 50 1.347 5.222 -7.978 1.00 0.00 C ATOM 753 CD2 PHE A 50 3.295 3.944 -7.453 1.00 0.00 C ATOM 754 CE1 PHE A 50 0.660 4.059 -8.271 1.00 0.00 C ATOM 755 CE2 PHE A 50 2.612 2.779 -7.744 1.00 0.00 C ATOM 756 CZ PHE A 50 1.294 2.836 -8.153 1.00 0.00 C ATOM 0 H PHE A 50 5.771 6.903 -9.004 1.00 0.00 H new ATOM 0 HA PHE A 50 2.891 7.368 -9.155 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.335 6.205 -6.729 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.809 7.051 -6.567 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.848 6.175 -8.072 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.326 3.893 -7.135 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.370 4.105 -8.592 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.108 1.824 -7.652 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.759 1.926 -8.380 1.00 0.00 H new ATOM 766 N ARG A 51 5.037 8.855 -7.121 1.00 0.00 N ATOM 767 CA ARG A 51 5.370 10.137 -6.498 1.00 0.00 C ATOM 768 C ARG A 51 5.786 11.211 -7.521 1.00 0.00 C ATOM 769 O ARG A 51 6.949 11.313 -7.917 1.00 0.00 O ATOM 770 CB ARG A 51 6.466 9.943 -5.441 1.00 0.00 C ATOM 771 CG ARG A 51 5.971 9.341 -4.126 1.00 0.00 C ATOM 772 CD ARG A 51 4.876 10.192 -3.481 1.00 0.00 C ATOM 773 NE ARG A 51 4.569 9.756 -2.118 1.00 0.00 N ATOM 774 CZ ARG A 51 3.420 9.939 -1.519 1.00 0.00 C ATOM 775 NH1 ARG A 51 2.436 10.515 -2.129 1.00 0.00 N ATOM 776 NH2 ARG A 51 3.265 9.546 -0.298 1.00 0.00 N ATOM 0 H ARG A 51 5.599 8.073 -6.786 1.00 0.00 H new ATOM 0 HA ARG A 51 4.463 10.503 -6.017 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.242 9.298 -5.853 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.930 10.907 -5.234 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.589 8.337 -4.309 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.808 9.243 -3.435 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.191 11.235 -3.465 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.973 10.141 -4.089 1.00 0.00 H new ATOM 0 HE ARG A 51 5.303 9.275 -1.598 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.549 10.834 -3.091 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.547 10.650 -1.648 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.036 9.095 0.195 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.371 9.686 0.173 1.00 0.00 H new ATOM 790 N GLY A 52 4.801 11.992 -7.950 1.00 0.00 N ATOM 791 CA GLY A 52 5.041 13.118 -8.846 1.00 0.00 C ATOM 792 C GLY A 52 3.755 13.866 -9.181 1.00 0.00 C ATOM 793 O GLY A 52 3.652 14.510 -10.227 1.00 0.00 O ATOM 0 H GLY A 52 3.823 11.865 -7.690 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.750 13.805 -8.383 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.501 12.757 -9.766 1.00 0.00 H new ATOM 797 N GLN A 53 2.782 13.802 -8.270 1.00 0.00 N ATOM 798 CA GLN A 53 1.446 14.370 -8.508 1.00 0.00 C ATOM 799 C GLN A 53 0.636 14.479 -7.205 1.00 0.00 C ATOM 800 O GLN A 53 1.089 14.046 -6.143 1.00 0.00 O ATOM 801 CB GLN A 53 0.678 13.535 -9.553 1.00 0.00 C ATOM 802 CG GLN A 53 0.590 12.043 -9.232 1.00 0.00 C ATOM 803 CD GLN A 53 -0.211 11.262 -10.264 1.00 0.00 C ATOM 804 OE1 GLN A 53 -0.272 11.629 -11.433 1.00 0.00 O ATOM 805 NE2 GLN A 53 -0.825 10.174 -9.845 1.00 0.00 N ATOM 0 H GLN A 53 2.891 13.362 -7.356 1.00 0.00 H new ATOM 0 HA GLN A 53 1.583 15.379 -8.898 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.332 13.934 -9.647 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.160 13.657 -10.523 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.597 11.629 -9.172 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.133 11.914 -8.251 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.756 9.894 -8.867 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.369 9.612 -10.499 1.00 0.00 H new ATOM 814 N ALA A 54 -0.566 15.050 -7.296 1.00 0.00 N ATOM 815 CA ALA A 54 -1.396 15.327 -6.113 1.00 0.00 C ATOM 816 C ALA A 54 -2.295 14.139 -5.719 1.00 0.00 C ATOM 817 O ALA A 54 -2.453 13.181 -6.476 1.00 0.00 O ATOM 818 CB ALA A 54 -2.250 16.567 -6.363 1.00 0.00 C ATOM 0 H ALA A 54 -0.992 15.332 -8.179 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.717 15.499 -5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.863 16.769 -5.485 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.602 17.422 -6.558 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.895 16.397 -7.225 1.00 0.00 H new ATOM 824 N ASN A 55 -2.868 14.218 -4.509 1.00 0.00 N ATOM 825 CA ASN A 55 -3.842 13.229 -4.003 1.00 0.00 C ATOM 826 C ASN A 55 -3.230 11.831 -3.808 1.00 0.00 C ATOM 827 O ASN A 55 -3.954 10.837 -3.708 1.00 0.00 O ATOM 828 CB ASN A 55 -5.061 13.146 -4.934 1.00 0.00 C ATOM 829 CG ASN A 55 -5.840 14.447 -4.989 1.00 0.00 C ATOM 830 OD1 ASN A 55 -5.872 15.213 -4.028 1.00 0.00 O ATOM 831 ND2 ASN A 55 -6.487 14.699 -6.107 1.00 0.00 N ATOM 0 H ASN A 55 -2.671 14.970 -3.849 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.157 13.580 -3.020 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.730 12.882 -5.938 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.719 12.346 -4.595 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.038 15.553 -6.196 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.438 14.040 -6.884 1.00 0.00 H new ATOM 838 N LEU A 56 -1.906 11.761 -3.716 1.00 0.00 N ATOM 839 CA LEU A 56 -1.213 10.480 -3.547 1.00 0.00 C ATOM 840 C LEU A 56 -1.142 10.048 -2.076 1.00 0.00 C ATOM 841 O LEU A 56 -0.220 10.430 -1.345 1.00 0.00 O ATOM 842 CB LEU A 56 0.200 10.556 -4.132 1.00 0.00 C ATOM 843 CG LEU A 56 0.274 10.875 -5.628 1.00 0.00 C ATOM 844 CD1 LEU A 56 1.719 10.809 -6.114 1.00 0.00 C ATOM 845 CD2 LEU A 56 -0.621 9.926 -6.423 1.00 0.00 C ATOM 0 H LEU A 56 -1.289 12.572 -3.755 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.793 9.730 -4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.760 11.316 -3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.700 9.604 -3.955 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.090 11.890 -5.788 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.755 11.038 -7.179 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.321 11.534 -5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.114 9.808 -5.945 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.556 10.168 -7.484 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.294 8.899 -6.264 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.653 10.034 -6.089 1.00 0.00 H new ATOM 857 N VAL A 57 -2.115 9.248 -1.655 1.00 0.00 N ATOM 858 CA VAL A 57 -2.154 8.710 -0.295 1.00 0.00 C ATOM 859 C VAL A 57 -1.059 7.650 -0.085 1.00 0.00 C ATOM 860 O VAL A 57 -0.789 6.830 -0.965 1.00 0.00 O ATOM 861 CB VAL A 57 -3.540 8.087 0.023 1.00 0.00 C ATOM 862 CG1 VAL A 57 -3.589 7.549 1.453 1.00 0.00 C ATOM 863 CG2 VAL A 57 -4.653 9.107 -0.212 1.00 0.00 C ATOM 0 H VAL A 57 -2.896 8.954 -2.241 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.976 9.544 0.384 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.695 7.246 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.572 7.119 1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.826 6.781 1.579 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.405 8.363 2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.617 8.652 0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.497 9.971 0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.640 9.426 -1.254 1.00 0.00 H new ATOM 873 N LEU A 58 -0.430 7.682 1.084 1.00 0.00 N ATOM 874 CA LEU A 58 0.630 6.738 1.430 1.00 0.00 C ATOM 875 C LEU A 58 0.137 5.721 2.466 1.00 0.00 C ATOM 876 O LEU A 58 0.061 6.020 3.662 1.00 0.00 O ATOM 877 CB LEU A 58 1.849 7.498 1.974 1.00 0.00 C ATOM 878 CG LEU A 58 3.052 6.626 2.378 1.00 0.00 C ATOM 879 CD1 LEU A 58 3.601 5.862 1.178 1.00 0.00 C ATOM 880 CD2 LEU A 58 4.144 7.479 3.018 1.00 0.00 C ATOM 0 H LEU A 58 -0.638 8.360 1.817 1.00 0.00 H new ATOM 0 HA LEU A 58 0.918 6.196 0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.178 8.210 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.535 8.077 2.842 1.00 0.00 H new ATOM 0 HG LEU A 58 2.709 5.898 3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.450 5.254 1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.823 5.216 0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.923 6.569 0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.985 6.844 3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.479 8.234 2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.749 7.968 3.908 1.00 0.00 H new ATOM 892 N LEU A 59 -0.220 4.528 2.004 1.00 0.00 N ATOM 893 CA LEU A 59 -0.685 3.469 2.899 1.00 0.00 C ATOM 894 C LEU A 59 0.486 2.835 3.655 1.00 0.00 C ATOM 895 O LEU A 59 1.267 2.071 3.088 1.00 0.00 O ATOM 896 CB LEU A 59 -1.445 2.392 2.118 1.00 0.00 C ATOM 897 CG LEU A 59 -2.670 2.894 1.335 1.00 0.00 C ATOM 898 CD1 LEU A 59 -3.394 1.732 0.656 1.00 0.00 C ATOM 899 CD2 LEU A 59 -3.616 3.671 2.250 1.00 0.00 C ATOM 0 H LEU A 59 -0.197 4.268 1.018 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.362 3.922 3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.756 1.918 1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.771 1.621 2.816 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.322 3.573 0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.257 2.111 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.715 1.235 -0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.728 1.020 1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.475 4.017 1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.956 3.022 3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.092 4.529 2.671 1.00 0.00 H new ATOM 911 N ALA A 60 0.601 3.170 4.933 1.00 0.00 N ATOM 912 CA ALA A 60 1.661 2.640 5.790 1.00 0.00 C ATOM 913 C ALA A 60 1.116 1.546 6.715 1.00 0.00 C ATOM 914 O ALA A 60 0.439 1.833 7.705 1.00 0.00 O ATOM 915 CB ALA A 60 2.291 3.768 6.604 1.00 0.00 C ATOM 0 H ALA A 60 -0.033 3.814 5.406 1.00 0.00 H new ATOM 0 HA ALA A 60 2.429 2.195 5.157 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.079 3.362 7.239 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.715 4.511 5.929 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.529 4.237 7.227 1.00 0.00 H new ATOM 921 N VAL A 61 1.390 0.293 6.372 1.00 0.00 N ATOM 922 CA VAL A 61 0.921 -0.848 7.164 1.00 0.00 C ATOM 923 C VAL A 61 2.073 -1.461 7.972 1.00 0.00 C ATOM 924 O VAL A 61 3.200 -1.575 7.478 1.00 0.00 O ATOM 925 CB VAL A 61 0.291 -1.938 6.258 1.00 0.00 C ATOM 926 CG1 VAL A 61 -0.266 -3.096 7.090 1.00 0.00 C ATOM 927 CG2 VAL A 61 -0.797 -1.337 5.367 1.00 0.00 C ATOM 0 H VAL A 61 1.936 0.036 5.549 1.00 0.00 H new ATOM 0 HA VAL A 61 0.159 -0.477 7.850 1.00 0.00 H new ATOM 0 HB VAL A 61 1.078 -2.337 5.617 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.701 -3.844 6.427 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.539 -3.548 7.669 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.033 -2.721 7.767 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.226 -2.118 4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.578 -0.902 5.990 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.363 -0.562 4.735 1.00 0.00 H new ATOM 937 N GLU A 62 1.794 -1.848 9.215 1.00 0.00 N ATOM 938 CA GLU A 62 2.811 -2.465 10.070 1.00 0.00 C ATOM 939 C GLU A 62 2.998 -3.950 9.710 1.00 0.00 C ATOM 940 O GLU A 62 2.087 -4.757 9.891 1.00 0.00 O ATOM 941 CB GLU A 62 2.429 -2.343 11.560 1.00 0.00 C ATOM 942 CG GLU A 62 1.784 -1.014 11.955 1.00 0.00 C ATOM 943 CD GLU A 62 2.632 0.212 11.639 1.00 0.00 C ATOM 944 OE1 GLU A 62 3.543 0.535 12.431 1.00 0.00 O ATOM 945 OE2 GLU A 62 2.374 0.873 10.607 1.00 0.00 O ATOM 0 H GLU A 62 0.878 -1.747 9.653 1.00 0.00 H new ATOM 0 HA GLU A 62 3.748 -1.935 9.901 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.742 -3.152 11.811 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.326 -2.488 12.163 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.827 -0.921 11.442 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.573 -1.030 13.024 1.00 0.00 H new ATOM 952 N ALA A 63 4.184 -4.313 9.220 1.00 0.00 N ATOM 953 CA ALA A 63 4.498 -5.716 8.889 1.00 0.00 C ATOM 954 C ALA A 63 4.951 -6.494 10.137 1.00 0.00 C ATOM 955 O ALA A 63 5.590 -7.542 10.041 1.00 0.00 O ATOM 956 CB ALA A 63 5.572 -5.769 7.805 1.00 0.00 C ATOM 0 H ALA A 63 4.947 -3.660 9.041 1.00 0.00 H new ATOM 0 HA ALA A 63 3.591 -6.190 8.513 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.798 -6.808 7.567 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.211 -5.262 6.910 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.475 -5.275 8.163 1.00 0.00 H new ATOM 962 N GLU A 64 4.580 -5.979 11.305 1.00 0.00 N ATOM 963 CA GLU A 64 4.995 -6.545 12.589 1.00 0.00 C ATOM 964 C GLU A 64 4.315 -7.899 12.907 1.00 0.00 C ATOM 965 O GLU A 64 4.971 -8.798 13.441 1.00 0.00 O ATOM 966 CB GLU A 64 4.730 -5.531 13.707 1.00 0.00 C ATOM 967 CG GLU A 64 5.256 -5.957 15.070 1.00 0.00 C ATOM 968 CD GLU A 64 5.173 -4.840 16.092 1.00 0.00 C ATOM 969 OE1 GLU A 64 6.073 -3.974 16.097 1.00 0.00 O ATOM 970 OE2 GLU A 64 4.205 -4.819 16.882 1.00 0.00 O ATOM 0 H GLU A 64 3.983 -5.157 11.391 1.00 0.00 H new ATOM 0 HA GLU A 64 6.063 -6.752 12.520 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.186 -4.579 13.435 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.656 -5.360 13.781 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.686 -6.815 15.425 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.292 -6.281 14.972 1.00 0.00 H new ATOM 977 N PRO A 65 2.996 -8.075 12.628 1.00 0.00 N ATOM 978 CA PRO A 65 2.337 -9.385 12.788 1.00 0.00 C ATOM 979 C PRO A 65 3.049 -10.487 11.983 1.00 0.00 C ATOM 980 O PRO A 65 3.635 -11.406 12.560 1.00 0.00 O ATOM 981 CB PRO A 65 0.904 -9.149 12.268 1.00 0.00 C ATOM 982 CG PRO A 65 0.960 -7.854 11.520 1.00 0.00 C ATOM 983 CD PRO A 65 2.042 -7.044 12.179 1.00 0.00 C ATOM 0 HA PRO A 65 2.358 -9.732 13.821 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.583 -9.964 11.619 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.191 -9.097 13.091 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.184 -8.021 10.466 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.002 -7.336 11.564 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.503 -6.343 11.483 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.657 -6.458 13.014 1.00 0.00 H new ATOM 991 N LEU A 66 2.991 -10.380 10.652 1.00 0.00 N ATOM 992 CA LEU A 66 3.763 -11.247 9.748 1.00 0.00 C ATOM 993 C LEU A 66 3.564 -12.747 10.063 1.00 0.00 C ATOM 994 O LEU A 66 4.520 -13.468 10.366 1.00 0.00 O ATOM 995 CB LEU A 66 5.256 -10.866 9.818 1.00 0.00 C ATOM 996 CG LEU A 66 6.137 -11.397 8.675 1.00 0.00 C ATOM 997 CD1 LEU A 66 5.683 -10.826 7.335 1.00 0.00 C ATOM 998 CD2 LEU A 66 7.605 -11.067 8.934 1.00 0.00 C ATOM 0 H LEU A 66 2.411 -9.694 10.170 1.00 0.00 H new ATOM 0 HA LEU A 66 3.394 -11.089 8.735 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.334 -9.779 9.836 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.661 -11.230 10.762 1.00 0.00 H new ATOM 0 HG LEU A 66 6.032 -12.481 8.635 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.319 -11.214 6.540 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.649 -11.117 7.147 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.755 -9.739 7.360 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.214 -11.450 8.115 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.728 -9.986 9.003 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.922 -11.529 9.869 1.00 0.00 H new ATOM 1010 N GLY A 67 2.317 -13.205 10.006 1.00 0.00 N ATOM 1011 CA GLY A 67 2.015 -14.622 10.219 1.00 0.00 C ATOM 1012 C GLY A 67 1.843 -15.386 8.906 1.00 0.00 C ATOM 1013 O GLY A 67 2.816 -15.628 8.188 1.00 0.00 O ATOM 0 H GLY A 67 1.502 -12.622 9.816 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.817 -15.078 10.799 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.104 -14.711 10.810 1.00 0.00 H new ATOM 1017 N GLU A 68 0.606 -15.785 8.598 1.00 0.00 N ATOM 1018 CA GLU A 68 0.279 -16.399 7.311 1.00 0.00 C ATOM 1019 C GLU A 68 -0.317 -15.357 6.352 1.00 0.00 C ATOM 1020 O GLU A 68 -0.896 -15.689 5.316 1.00 0.00 O ATOM 1021 CB GLU A 68 -0.677 -17.589 7.528 1.00 0.00 C ATOM 1022 CG GLU A 68 -1.798 -17.361 8.547 1.00 0.00 C ATOM 1023 CD GLU A 68 -2.884 -16.415 8.058 1.00 0.00 C ATOM 1024 OE1 GLU A 68 -3.752 -16.846 7.271 1.00 0.00 O ATOM 1025 OE2 GLU A 68 -2.885 -15.236 8.466 1.00 0.00 O ATOM 0 H GLU A 68 -0.190 -15.692 9.229 1.00 0.00 H new ATOM 0 HA GLU A 68 1.191 -16.778 6.850 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.128 -17.849 6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.090 -18.450 7.847 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.250 -18.321 8.798 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.367 -16.962 9.465 1.00 0.00 H new ATOM 1032 N ASP A 69 -0.150 -14.090 6.719 1.00 0.00 N ATOM 1033 CA ASP A 69 -0.645 -12.959 5.936 1.00 0.00 C ATOM 1034 C ASP A 69 0.392 -12.466 4.906 1.00 0.00 C ATOM 1035 O ASP A 69 0.212 -12.633 3.695 1.00 0.00 O ATOM 1036 CB ASP A 69 -1.056 -11.824 6.892 1.00 0.00 C ATOM 1037 CG ASP A 69 -0.081 -11.655 8.051 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -0.223 -12.380 9.058 1.00 0.00 O ATOM 1039 OD2 ASP A 69 0.843 -10.825 7.952 1.00 0.00 O ATOM 0 H ASP A 69 0.335 -13.816 7.573 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.513 -13.289 5.366 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.119 -10.889 6.335 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.052 -12.028 7.286 1.00 0.00 H new ATOM 1044 N LEU A 70 1.473 -11.864 5.392 1.00 0.00 N ATOM 1045 CA LEU A 70 2.504 -11.285 4.526 1.00 0.00 C ATOM 1046 C LEU A 70 3.719 -12.215 4.393 1.00 0.00 C ATOM 1047 O LEU A 70 4.215 -12.758 5.382 1.00 0.00 O ATOM 1048 CB LEU A 70 2.938 -9.923 5.089 1.00 0.00 C ATOM 1049 CG LEU A 70 4.016 -9.180 4.283 1.00 0.00 C ATOM 1050 CD1 LEU A 70 3.524 -8.899 2.869 1.00 0.00 C ATOM 1051 CD2 LEU A 70 4.420 -7.883 4.988 1.00 0.00 C ATOM 0 H LEU A 70 1.662 -11.762 6.389 1.00 0.00 H new ATOM 0 HA LEU A 70 2.081 -11.155 3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.058 -9.283 5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.307 -10.071 6.104 1.00 0.00 H new ATOM 0 HG LEU A 70 4.898 -9.817 4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.299 -8.373 2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.294 -9.840 2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.626 -8.283 2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.184 -7.373 4.401 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.548 -7.237 5.089 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.816 -8.115 5.977 1.00 0.00 H new ATOM 1063 N LYS A 71 4.202 -12.391 3.164 1.00 0.00 N ATOM 1064 CA LYS A 71 5.370 -13.242 2.909 1.00 0.00 C ATOM 1065 C LYS A 71 6.476 -12.478 2.169 1.00 0.00 C ATOM 1066 O LYS A 71 6.228 -11.854 1.137 1.00 0.00 O ATOM 1067 CB LYS A 71 4.966 -14.471 2.083 1.00 0.00 C ATOM 1068 CG LYS A 71 6.126 -15.429 1.807 1.00 0.00 C ATOM 1069 CD LYS A 71 5.750 -16.517 0.807 1.00 0.00 C ATOM 1070 CE LYS A 71 4.549 -17.331 1.266 1.00 0.00 C ATOM 1071 NZ LYS A 71 4.225 -18.415 0.304 1.00 0.00 N ATOM 0 H LYS A 71 3.806 -11.958 2.329 1.00 0.00 H new ATOM 0 HA LYS A 71 5.757 -13.559 3.877 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.178 -15.010 2.609 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.546 -14.139 1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.977 -14.865 1.425 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.443 -15.891 2.742 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.530 -16.060 -0.158 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.601 -17.181 0.658 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.754 -17.762 2.246 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.686 -16.675 1.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.402 -18.950 0.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.006 -18.001 -0.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.040 -19.055 0.214 1.00 0.00 H new ATOM 1085 N TRP A 72 7.694 -12.527 2.701 1.00 0.00 N ATOM 1086 CA TRP A 72 8.862 -11.973 2.008 1.00 0.00 C ATOM 1087 C TRP A 72 9.266 -12.889 0.845 1.00 0.00 C ATOM 1088 O TRP A 72 9.804 -13.976 1.063 1.00 0.00 O ATOM 1089 CB TRP A 72 10.035 -11.806 2.986 1.00 0.00 C ATOM 1090 CG TRP A 72 9.778 -10.785 4.059 1.00 0.00 C ATOM 1091 CD1 TRP A 72 9.036 -10.954 5.194 1.00 0.00 C ATOM 1092 CD2 TRP A 72 10.265 -9.438 4.098 1.00 0.00 C ATOM 1093 NE1 TRP A 72 9.027 -9.794 5.928 1.00 0.00 N ATOM 1094 CE2 TRP A 72 9.776 -8.850 5.279 1.00 0.00 C ATOM 1095 CE3 TRP A 72 11.068 -8.673 3.248 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 10.062 -7.533 5.630 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 11.353 -7.366 3.596 1.00 0.00 C ATOM 1098 CH2 TRP A 72 10.852 -6.806 4.779 1.00 0.00 C ATOM 0 H TRP A 72 7.902 -12.943 3.609 1.00 0.00 H new ATOM 0 HA TRP A 72 8.601 -10.992 1.610 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.248 -12.767 3.453 1.00 0.00 H new ATOM 0 HB3 TRP A 72 10.926 -11.519 2.427 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.531 -11.867 5.473 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.541 -9.658 6.814 1.00 0.00 H new ATOM 0 HE3 TRP A 72 11.459 -9.096 2.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.675 -7.100 6.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 11.972 -6.766 2.945 1.00 0.00 H new ATOM 0 HH2 TRP A 72 11.093 -5.782 5.024 1.00 0.00 H new ATOM 1109 N GLU A 73 8.991 -12.458 -0.383 1.00 0.00 N ATOM 1110 CA GLU A 73 9.215 -13.296 -1.568 1.00 0.00 C ATOM 1111 C GLU A 73 10.049 -12.555 -2.629 1.00 0.00 C ATOM 1112 O GLU A 73 9.827 -11.375 -2.898 1.00 0.00 O ATOM 1113 CB GLU A 73 7.851 -13.739 -2.129 1.00 0.00 C ATOM 1114 CG GLU A 73 7.920 -14.627 -3.373 1.00 0.00 C ATOM 1115 CD GLU A 73 7.701 -13.858 -4.669 1.00 0.00 C ATOM 1116 OE1 GLU A 73 6.538 -13.502 -4.958 1.00 0.00 O ATOM 1117 OE2 GLU A 73 8.682 -13.609 -5.400 1.00 0.00 O ATOM 0 H GLU A 73 8.612 -11.533 -0.589 1.00 0.00 H new ATOM 0 HA GLU A 73 9.788 -14.178 -1.283 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.311 -14.275 -1.348 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.267 -12.850 -2.368 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.893 -15.117 -3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.169 -15.413 -3.293 1.00 0.00 H new ATOM 1124 N ALA A 74 11.020 -13.255 -3.222 1.00 0.00 N ATOM 1125 CA ALA A 74 11.932 -12.645 -4.198 1.00 0.00 C ATOM 1126 C ALA A 74 12.088 -13.507 -5.461 1.00 0.00 C ATOM 1127 O ALA A 74 12.795 -14.518 -5.452 1.00 0.00 O ATOM 1128 CB ALA A 74 13.296 -12.401 -3.556 1.00 0.00 C ATOM 0 H ALA A 74 11.196 -14.244 -3.045 1.00 0.00 H new ATOM 0 HA ALA A 74 11.497 -11.694 -4.505 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.966 -11.948 -4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.182 -11.731 -2.704 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.714 -13.349 -3.219 1.00 0.00 H new ATOM 1134 N SER A 75 11.419 -13.099 -6.539 1.00 0.00 N ATOM 1135 CA SER A 75 11.543 -13.765 -7.847 1.00 0.00 C ATOM 1136 C SER A 75 13.008 -13.850 -8.301 1.00 0.00 C ATOM 1137 O SER A 75 13.488 -14.909 -8.713 1.00 0.00 O ATOM 1138 CB SER A 75 10.738 -12.994 -8.898 1.00 0.00 C ATOM 1139 OG SER A 75 11.209 -11.658 -9.006 1.00 0.00 O ATOM 0 H SER A 75 10.779 -12.305 -6.537 1.00 0.00 H new ATOM 0 HA SER A 75 11.156 -14.778 -7.742 1.00 0.00 H new ATOM 0 HB2 SER A 75 10.818 -13.493 -9.864 1.00 0.00 H new ATOM 0 HB3 SER A 75 9.682 -12.993 -8.627 1.00 0.00 H new ATOM 0 HG SER A 75 10.685 -11.180 -9.683 1.00 0.00 H new ATOM 1145 N ARG A 76 13.709 -12.723 -8.215 1.00 0.00 N ATOM 1146 CA ARG A 76 15.124 -12.636 -8.609 1.00 0.00 C ATOM 1147 C ARG A 76 16.073 -13.172 -7.516 1.00 0.00 C ATOM 1148 O ARG A 76 17.295 -13.079 -7.645 1.00 0.00 O ATOM 1149 CB ARG A 76 15.477 -11.177 -8.935 1.00 0.00 C ATOM 1150 CG ARG A 76 15.265 -10.218 -7.766 1.00 0.00 C ATOM 1151 CD ARG A 76 15.605 -8.773 -8.133 1.00 0.00 C ATOM 1152 NE ARG A 76 14.699 -8.219 -9.141 1.00 0.00 N ATOM 1153 CZ ARG A 76 14.408 -6.947 -9.247 1.00 0.00 C ATOM 1154 NH1 ARG A 76 14.935 -6.079 -8.444 1.00 0.00 N ATOM 1155 NH2 ARG A 76 13.591 -6.541 -10.165 1.00 0.00 N ATOM 0 H ARG A 76 13.320 -11.844 -7.873 1.00 0.00 H new ATOM 0 HA ARG A 76 15.259 -13.263 -9.490 1.00 0.00 H new ATOM 0 HB2 ARG A 76 16.519 -11.126 -9.250 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.872 -10.846 -9.779 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.227 -10.273 -7.438 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.883 -10.532 -6.925 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.565 -8.155 -7.236 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.628 -8.728 -8.506 1.00 0.00 H new ATOM 0 HE ARG A 76 14.267 -8.865 -9.802 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.585 -6.384 -7.719 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.701 -5.091 -8.536 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.172 -7.213 -10.808 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.366 -5.549 -10.245 1.00 0.00 H new ATOM 1169 N GLY A 77 15.512 -13.733 -6.445 1.00 0.00 N ATOM 1170 CA GLY A 77 16.329 -14.267 -5.357 1.00 0.00 C ATOM 1171 C GLY A 77 16.820 -13.192 -4.392 1.00 0.00 C ATOM 1172 O GLY A 77 16.415 -13.160 -3.230 1.00 0.00 O ATOM 0 H GLY A 77 14.506 -13.829 -6.308 1.00 0.00 H new ATOM 0 HA2 GLY A 77 15.749 -15.005 -4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 77 17.189 -14.788 -5.779 1.00 0.00 H new ATOM 1176 N GLY A 78 17.696 -12.311 -4.872 1.00 0.00 N ATOM 1177 CA GLY A 78 18.207 -11.227 -4.039 1.00 0.00 C ATOM 1178 C GLY A 78 17.210 -10.079 -3.879 1.00 0.00 C ATOM 1179 O GLY A 78 16.493 -9.745 -4.825 1.00 0.00 O ATOM 0 H GLY A 78 18.063 -12.326 -5.824 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.461 -11.621 -3.055 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.129 -10.843 -4.476 1.00 0.00 H new ATOM 1183 N ALA A 79 17.193 -9.455 -2.694 1.00 0.00 N ATOM 1184 CA ALA A 79 16.221 -8.397 -2.365 1.00 0.00 C ATOM 1185 C ALA A 79 14.789 -8.957 -2.303 1.00 0.00 C ATOM 1186 O ALA A 79 14.111 -9.088 -3.323 1.00 0.00 O ATOM 1187 CB ALA A 79 16.310 -7.234 -3.355 1.00 0.00 C ATOM 0 H ALA A 79 17.846 -9.665 -1.939 1.00 0.00 H new ATOM 0 HA ALA A 79 16.475 -8.014 -1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 79 15.581 -6.470 -3.085 1.00 0.00 H new ATOM 0 HB2 ALA A 79 17.312 -6.806 -3.324 1.00 0.00 H new ATOM 0 HB3 ALA A 79 16.101 -7.596 -4.362 1.00 0.00 H new ATOM 1193 N ARG A 80 14.337 -9.290 -1.098 1.00 0.00 N ATOM 1194 CA ARG A 80 13.055 -9.976 -0.912 1.00 0.00 C ATOM 1195 C ARG A 80 11.887 -8.984 -0.805 1.00 0.00 C ATOM 1196 O ARG A 80 11.831 -8.168 0.114 1.00 0.00 O ATOM 1197 CB ARG A 80 13.129 -10.861 0.338 1.00 0.00 C ATOM 1198 CG ARG A 80 14.371 -11.751 0.362 1.00 0.00 C ATOM 1199 CD ARG A 80 14.475 -12.568 1.645 1.00 0.00 C ATOM 1200 NE ARG A 80 13.518 -13.672 1.688 1.00 0.00 N ATOM 1201 CZ ARG A 80 13.328 -14.426 2.734 1.00 0.00 C ATOM 1202 NH1 ARG A 80 13.942 -14.170 3.844 1.00 0.00 N ATOM 1203 NH2 ARG A 80 12.516 -15.428 2.668 1.00 0.00 N ATOM 0 H ARG A 80 14.838 -9.097 -0.231 1.00 0.00 H new ATOM 0 HA ARG A 80 12.867 -10.596 -1.788 1.00 0.00 H new ATOM 0 HB2 ARG A 80 13.124 -10.229 1.226 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.238 -11.487 0.387 1.00 0.00 H new ATOM 0 HG2 ARG A 80 14.348 -12.425 -0.494 1.00 0.00 H new ATOM 0 HG3 ARG A 80 15.261 -11.131 0.256 1.00 0.00 H new ATOM 0 HD2 ARG A 80 15.486 -12.965 1.738 1.00 0.00 H new ATOM 0 HD3 ARG A 80 14.309 -11.915 2.502 1.00 0.00 H new ATOM 0 HE ARG A 80 12.967 -13.863 0.851 1.00 0.00 H new ATOM 0 HH11 ARG A 80 14.578 -13.375 3.903 1.00 0.00 H new ATOM 0 HH12 ARG A 80 13.790 -14.763 4.660 1.00 0.00 H new ATOM 0 HH21 ARG A 80 12.024 -15.629 1.798 1.00 0.00 H new ATOM 0 HH22 ARG A 80 12.367 -16.018 3.486 1.00 0.00 H new ATOM 1217 N PHE A 81 10.957 -9.067 -1.756 1.00 0.00 N ATOM 1218 CA PHE A 81 9.789 -8.182 -1.791 1.00 0.00 C ATOM 1219 C PHE A 81 8.608 -8.786 -1.004 1.00 0.00 C ATOM 1220 O PHE A 81 8.053 -9.816 -1.398 1.00 0.00 O ATOM 1221 CB PHE A 81 9.346 -7.939 -3.245 1.00 0.00 C ATOM 1222 CG PHE A 81 10.398 -7.323 -4.137 1.00 0.00 C ATOM 1223 CD1 PHE A 81 11.394 -8.107 -4.704 1.00 0.00 C ATOM 1224 CD2 PHE A 81 10.380 -5.964 -4.423 1.00 0.00 C ATOM 1225 CE1 PHE A 81 12.352 -7.549 -5.529 1.00 0.00 C ATOM 1226 CE2 PHE A 81 11.335 -5.402 -5.249 1.00 0.00 C ATOM 1227 CZ PHE A 81 12.321 -6.195 -5.803 1.00 0.00 C ATOM 0 H PHE A 81 10.989 -9.743 -2.519 1.00 0.00 H new ATOM 0 HA PHE A 81 10.078 -7.238 -1.328 1.00 0.00 H new ATOM 0 HB2 PHE A 81 9.035 -8.890 -3.678 1.00 0.00 H new ATOM 0 HB3 PHE A 81 8.470 -7.290 -3.239 1.00 0.00 H new ATOM 0 HD1 PHE A 81 11.420 -9.167 -4.498 1.00 0.00 H new ATOM 0 HD2 PHE A 81 9.610 -5.339 -3.995 1.00 0.00 H new ATOM 0 HE1 PHE A 81 13.124 -8.170 -5.959 1.00 0.00 H new ATOM 0 HE2 PHE A 81 11.310 -4.343 -5.461 1.00 0.00 H new ATOM 0 HZ PHE A 81 13.067 -5.757 -6.450 1.00 0.00 H new ATOM 1237 N PRO A 82 8.207 -8.170 0.124 1.00 0.00 N ATOM 1238 CA PRO A 82 7.020 -8.611 0.872 1.00 0.00 C ATOM 1239 C PRO A 82 5.735 -8.526 0.022 1.00 0.00 C ATOM 1240 O PRO A 82 5.314 -7.439 -0.390 1.00 0.00 O ATOM 1241 CB PRO A 82 6.960 -7.649 2.074 1.00 0.00 C ATOM 1242 CG PRO A 82 7.828 -6.490 1.704 1.00 0.00 C ATOM 1243 CD PRO A 82 8.879 -7.027 0.769 1.00 0.00 C ATOM 0 HA PRO A 82 7.089 -9.657 1.170 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.937 -7.327 2.267 1.00 0.00 H new ATOM 0 HB3 PRO A 82 7.319 -8.133 2.982 1.00 0.00 H new ATOM 0 HG2 PRO A 82 7.244 -5.706 1.222 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.285 -6.049 2.590 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.189 -6.279 0.040 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.775 -7.338 1.307 1.00 0.00 H new ATOM 1251 N HIS A 83 5.131 -9.682 -0.258 1.00 0.00 N ATOM 1252 CA HIS A 83 3.907 -9.754 -1.067 1.00 0.00 C ATOM 1253 C HIS A 83 2.724 -10.282 -0.248 1.00 0.00 C ATOM 1254 O HIS A 83 2.860 -11.240 0.518 1.00 0.00 O ATOM 1255 CB HIS A 83 4.131 -10.651 -2.292 1.00 0.00 C ATOM 1256 CG HIS A 83 5.204 -10.152 -3.206 1.00 0.00 C ATOM 1257 ND1 HIS A 83 6.121 -10.975 -3.820 1.00 0.00 N ATOM 1258 CD2 HIS A 83 5.501 -8.896 -3.616 1.00 0.00 C ATOM 1259 CE1 HIS A 83 6.933 -10.251 -4.561 1.00 0.00 C ATOM 1260 NE2 HIS A 83 6.578 -8.987 -4.457 1.00 0.00 N ATOM 0 H HIS A 83 5.470 -10.588 0.065 1.00 0.00 H new ATOM 0 HA HIS A 83 3.669 -8.743 -1.397 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.389 -11.655 -1.955 1.00 0.00 H new ATOM 0 HB3 HIS A 83 3.198 -10.732 -2.849 1.00 0.00 H new ATOM 0 HD1 HIS A 83 6.164 -11.989 -3.717 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.985 -7.991 -3.332 1.00 0.00 H new ATOM 0 HE1 HIS A 83 7.752 -10.630 -5.154 1.00 0.00 H new ATOM 1269 N LEU A 84 1.566 -9.651 -0.413 1.00 0.00 N ATOM 1270 CA LEU A 84 0.350 -10.065 0.288 1.00 0.00 C ATOM 1271 C LEU A 84 -0.528 -10.936 -0.625 1.00 0.00 C ATOM 1272 O LEU A 84 -1.154 -10.443 -1.565 1.00 0.00 O ATOM 1273 CB LEU A 84 -0.428 -8.830 0.768 1.00 0.00 C ATOM 1274 CG LEU A 84 -1.641 -9.117 1.671 1.00 0.00 C ATOM 1275 CD1 LEU A 84 -1.205 -9.803 2.963 1.00 0.00 C ATOM 1276 CD2 LEU A 84 -2.403 -7.830 1.975 1.00 0.00 C ATOM 0 H LEU A 84 1.441 -8.847 -1.028 1.00 0.00 H new ATOM 0 HA LEU A 84 0.632 -10.659 1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.258 -8.178 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.771 -8.277 -0.106 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.309 -9.792 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.079 -9.996 3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.713 -10.746 2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.511 -9.157 3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.257 -8.055 2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.743 -7.128 2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.755 -7.387 1.043 1.00 0.00 H new ATOM 1288 N TYR A 85 -0.568 -12.235 -0.343 1.00 0.00 N ATOM 1289 CA TYR A 85 -1.296 -13.200 -1.182 1.00 0.00 C ATOM 1290 C TYR A 85 -2.799 -13.256 -0.842 1.00 0.00 C ATOM 1291 O TYR A 85 -3.441 -14.294 -1.013 1.00 0.00 O ATOM 1292 CB TYR A 85 -0.679 -14.599 -1.019 1.00 0.00 C ATOM 1293 CG TYR A 85 0.752 -14.718 -1.517 1.00 0.00 C ATOM 1294 CD1 TYR A 85 1.823 -14.288 -0.738 1.00 0.00 C ATOM 1295 CD2 TYR A 85 1.033 -15.276 -2.760 1.00 0.00 C ATOM 1296 CE1 TYR A 85 3.124 -14.407 -1.186 1.00 0.00 C ATOM 1297 CE2 TYR A 85 2.332 -15.402 -3.212 1.00 0.00 C ATOM 1298 CZ TYR A 85 3.372 -14.967 -2.421 1.00 0.00 C ATOM 1299 OH TYR A 85 4.669 -15.101 -2.860 1.00 0.00 O ATOM 0 H TYR A 85 -0.104 -12.652 0.464 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.205 -12.865 -2.215 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.708 -14.874 0.035 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.298 -15.320 -1.554 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.633 -13.854 0.233 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.220 -15.617 -3.383 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.943 -14.063 -0.572 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.531 -15.839 -4.179 1.00 0.00 H new ATOM 0 HH TYR A 85 4.886 -14.364 -3.468 1.00 0.00 H new ATOM 1309 N ARG A 86 -3.363 -12.135 -0.395 1.00 0.00 N ATOM 1310 CA ARG A 86 -4.776 -12.091 0.005 1.00 0.00 C ATOM 1311 C ARG A 86 -5.319 -10.648 -0.017 1.00 0.00 C ATOM 1312 O ARG A 86 -4.594 -9.703 0.297 1.00 0.00 O ATOM 1313 CB ARG A 86 -4.934 -12.702 1.410 1.00 0.00 C ATOM 1314 CG ARG A 86 -4.424 -11.810 2.544 1.00 0.00 C ATOM 1315 CD ARG A 86 -3.862 -12.619 3.709 1.00 0.00 C ATOM 1316 NE ARG A 86 -4.756 -13.692 4.142 1.00 0.00 N ATOM 1317 CZ ARG A 86 -4.567 -14.401 5.218 1.00 0.00 C ATOM 1318 NH1 ARG A 86 -3.629 -14.089 6.049 1.00 0.00 N ATOM 1319 NH2 ARG A 86 -5.334 -15.406 5.482 1.00 0.00 N ATOM 0 H ARG A 86 -2.870 -11.247 -0.300 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.356 -12.674 -0.711 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.988 -12.922 1.582 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.401 -13.652 1.443 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.651 -11.145 2.160 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.238 -11.180 2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.903 -13.048 3.418 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.671 -11.951 4.549 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.574 -13.897 3.569 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.031 -13.283 5.864 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.486 -14.648 6.890 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.094 -15.649 4.846 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.180 -15.957 6.327 1.00 0.00 H new ATOM 1333 N PRO A 87 -6.597 -10.456 -0.409 1.00 0.00 N ATOM 1334 CA PRO A 87 -7.235 -9.125 -0.417 1.00 0.00 C ATOM 1335 C PRO A 87 -7.217 -8.440 0.968 1.00 0.00 C ATOM 1336 O PRO A 87 -7.803 -8.941 1.936 1.00 0.00 O ATOM 1337 CB PRO A 87 -8.681 -9.412 -0.872 1.00 0.00 C ATOM 1338 CG PRO A 87 -8.866 -10.885 -0.702 1.00 0.00 C ATOM 1339 CD PRO A 87 -7.509 -11.501 -0.902 1.00 0.00 C ATOM 0 HA PRO A 87 -6.704 -8.432 -1.070 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -9.400 -8.854 -0.272 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -8.833 -9.114 -1.909 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.257 -11.117 0.289 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -9.581 -11.274 -1.426 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.400 -12.429 -0.341 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.323 -11.738 -1.950 1.00 0.00 H new ATOM 1347 N LEU A 88 -6.566 -7.278 1.040 1.00 0.00 N ATOM 1348 CA LEU A 88 -6.350 -6.562 2.306 1.00 0.00 C ATOM 1349 C LEU A 88 -7.649 -5.926 2.831 1.00 0.00 C ATOM 1350 O LEU A 88 -8.517 -5.538 2.056 1.00 0.00 O ATOM 1351 CB LEU A 88 -5.278 -5.478 2.092 1.00 0.00 C ATOM 1352 CG LEU A 88 -4.851 -4.687 3.341 1.00 0.00 C ATOM 1353 CD1 LEU A 88 -4.232 -5.611 4.387 1.00 0.00 C ATOM 1354 CD2 LEU A 88 -3.874 -3.576 2.962 1.00 0.00 C ATOM 0 H LEU A 88 -6.173 -6.805 0.226 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.015 -7.279 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.393 -5.951 1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.649 -4.771 1.350 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.741 -4.233 3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.939 -5.028 5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.961 -6.365 4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.354 -6.101 3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.583 -3.027 3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.989 -4.012 2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.353 -2.895 2.258 1.00 0.00 H new ATOM 1366 N LEU A 89 -7.785 -5.829 4.151 1.00 0.00 N ATOM 1367 CA LEU A 89 -8.961 -5.192 4.766 1.00 0.00 C ATOM 1368 C LEU A 89 -8.657 -3.725 5.120 1.00 0.00 C ATOM 1369 O LEU A 89 -7.527 -3.396 5.476 1.00 0.00 O ATOM 1370 CB LEU A 89 -9.376 -5.958 6.032 1.00 0.00 C ATOM 1371 CG LEU A 89 -9.536 -7.478 5.859 1.00 0.00 C ATOM 1372 CD1 LEU A 89 -9.973 -8.129 7.168 1.00 0.00 C ATOM 1373 CD2 LEU A 89 -10.523 -7.800 4.739 1.00 0.00 C ATOM 0 H LEU A 89 -7.100 -6.181 4.820 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.781 -5.217 4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.633 -5.774 6.808 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.320 -5.549 6.391 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.565 -7.889 5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.080 -9.204 7.022 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.223 -7.940 7.936 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.928 -7.709 7.482 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.618 -8.881 4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.496 -7.371 4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.160 -7.378 3.802 1.00 0.00 H new ATOM 1385 N VAL A 90 -9.658 -2.844 5.034 1.00 0.00 N ATOM 1386 CA VAL A 90 -9.449 -1.422 5.362 1.00 0.00 C ATOM 1387 C VAL A 90 -9.081 -1.235 6.846 1.00 0.00 C ATOM 1388 O VAL A 90 -8.211 -0.433 7.183 1.00 0.00 O ATOM 1389 CB VAL A 90 -10.691 -0.562 5.011 1.00 0.00 C ATOM 1390 CG1 VAL A 90 -10.534 0.873 5.519 1.00 0.00 C ATOM 1391 CG2 VAL A 90 -10.925 -0.574 3.504 1.00 0.00 C ATOM 0 H VAL A 90 -10.608 -3.080 4.746 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.614 -1.079 4.751 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.558 -0.996 5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.421 1.451 5.257 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.413 0.864 6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.656 1.328 5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.799 0.032 3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.051 -0.165 2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.092 -1.598 3.170 1.00 0.00 H new ATOM 1401 N SER A 91 -9.728 -1.998 7.726 1.00 0.00 N ATOM 1402 CA SER A 91 -9.396 -1.979 9.163 1.00 0.00 C ATOM 1403 C SER A 91 -8.050 -2.671 9.429 1.00 0.00 C ATOM 1404 O SER A 91 -7.535 -2.653 10.550 1.00 0.00 O ATOM 1405 CB SER A 91 -10.499 -2.665 9.985 1.00 0.00 C ATOM 1406 OG SER A 91 -10.217 -2.633 11.382 1.00 0.00 O ATOM 0 H SER A 91 -10.483 -2.637 7.477 1.00 0.00 H new ATOM 0 HA SER A 91 -9.319 -0.936 9.469 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.453 -2.172 9.796 1.00 0.00 H new ATOM 0 HB3 SER A 91 -10.604 -3.700 9.659 1.00 0.00 H new ATOM 0 HG SER A 91 -9.253 -2.519 11.519 1.00 0.00 H new ATOM 1412 N GLU A 92 -7.496 -3.295 8.393 1.00 0.00 N ATOM 1413 CA GLU A 92 -6.194 -3.957 8.481 1.00 0.00 C ATOM 1414 C GLU A 92 -5.081 -3.037 7.934 1.00 0.00 C ATOM 1415 O GLU A 92 -3.891 -3.338 8.037 1.00 0.00 O ATOM 1416 CB GLU A 92 -6.259 -5.291 7.720 1.00 0.00 C ATOM 1417 CG GLU A 92 -5.053 -6.203 7.912 1.00 0.00 C ATOM 1418 CD GLU A 92 -5.344 -7.645 7.514 1.00 0.00 C ATOM 1419 OE1 GLU A 92 -5.454 -7.930 6.303 1.00 0.00 O ATOM 1420 OE2 GLU A 92 -5.482 -8.500 8.417 1.00 0.00 O ATOM 0 H GLU A 92 -7.932 -3.357 7.473 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.952 -4.164 9.523 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -7.155 -5.827 8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.370 -5.080 6.656 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.219 -5.827 7.319 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.741 -6.173 8.956 1.00 0.00 H new ATOM 1427 N VAL A 93 -5.492 -1.906 7.353 1.00 0.00 N ATOM 1428 CA VAL A 93 -4.561 -0.850 6.936 1.00 0.00 C ATOM 1429 C VAL A 93 -4.273 0.088 8.118 1.00 0.00 C ATOM 1430 O VAL A 93 -5.148 0.839 8.551 1.00 0.00 O ATOM 1431 CB VAL A 93 -5.130 -0.014 5.758 1.00 0.00 C ATOM 1432 CG1 VAL A 93 -4.090 0.983 5.243 1.00 0.00 C ATOM 1433 CG2 VAL A 93 -5.618 -0.921 4.632 1.00 0.00 C ATOM 0 H VAL A 93 -6.471 -1.696 7.159 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.643 -1.335 6.603 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.984 0.552 6.129 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.513 1.556 4.418 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.806 1.661 6.048 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.209 0.443 4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.012 -0.312 3.819 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.787 -1.524 4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.404 -1.577 5.007 1.00 0.00 H new ATOM 1443 N THR A 94 -3.049 0.047 8.636 1.00 0.00 N ATOM 1444 CA THR A 94 -2.710 0.778 9.864 1.00 0.00 C ATOM 1445 C THR A 94 -2.814 2.308 9.695 1.00 0.00 C ATOM 1446 O THR A 94 -3.680 2.944 10.295 1.00 0.00 O ATOM 1447 CB THR A 94 -1.292 0.416 10.366 1.00 0.00 C ATOM 1448 OG1 THR A 94 -1.065 -1.000 10.245 1.00 0.00 O ATOM 1449 CG2 THR A 94 -1.116 0.835 11.822 1.00 0.00 C ATOM 0 H THR A 94 -2.275 -0.480 8.231 1.00 0.00 H new ATOM 0 HA THR A 94 -3.447 0.468 10.605 1.00 0.00 H new ATOM 0 HB THR A 94 -0.568 0.951 9.751 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.346 -1.448 11.070 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.113 0.572 12.157 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.258 1.912 11.910 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.852 0.320 12.440 1.00 0.00 H new ATOM 1457 N ARG A 95 -1.927 2.902 8.890 1.00 0.00 N ATOM 1458 CA ARG A 95 -1.934 4.362 8.670 1.00 0.00 C ATOM 1459 C ARG A 95 -2.263 4.739 7.217 1.00 0.00 C ATOM 1460 O ARG A 95 -1.676 4.208 6.275 1.00 0.00 O ATOM 1461 CB ARG A 95 -0.579 4.997 9.053 1.00 0.00 C ATOM 1462 CG ARG A 95 -0.433 5.345 10.534 1.00 0.00 C ATOM 1463 CD ARG A 95 -0.183 4.120 11.405 1.00 0.00 C ATOM 1464 NE ARG A 95 1.106 3.485 11.121 1.00 0.00 N ATOM 1465 CZ ARG A 95 2.266 3.978 11.473 1.00 0.00 C ATOM 1466 NH1 ARG A 95 2.348 5.116 12.097 1.00 0.00 N ATOM 1467 NH2 ARG A 95 3.348 3.322 11.211 1.00 0.00 N ATOM 0 H ARG A 95 -1.198 2.403 8.381 1.00 0.00 H new ATOM 0 HA ARG A 95 -2.720 4.753 9.316 1.00 0.00 H new ATOM 0 HB2 ARG A 95 0.220 4.310 8.775 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -0.439 5.904 8.465 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.391 6.048 10.658 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.337 5.850 10.875 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.218 4.411 12.455 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.983 3.397 11.248 1.00 0.00 H new ATOM 0 HE ARG A 95 1.099 2.599 10.615 1.00 0.00 H new ATOM 0 HH11 ARG A 95 1.500 5.638 12.319 1.00 0.00 H new ATOM 0 HH12 ARG A 95 3.260 5.486 12.364 1.00 0.00 H new ATOM 0 HH21 ARG A 95 3.296 2.423 10.731 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.254 3.703 11.484 1.00 0.00 H new ATOM 1481 N GLU A 96 -3.203 5.669 7.052 1.00 0.00 N ATOM 1482 CA GLU A 96 -3.466 6.294 5.750 1.00 0.00 C ATOM 1483 C GLU A 96 -2.848 7.708 5.719 1.00 0.00 C ATOM 1484 O GLU A 96 -3.489 8.701 6.072 1.00 0.00 O ATOM 1485 CB GLU A 96 -4.983 6.335 5.456 1.00 0.00 C ATOM 1486 CG GLU A 96 -5.818 7.051 6.519 1.00 0.00 C ATOM 1487 CD GLU A 96 -7.312 7.036 6.213 1.00 0.00 C ATOM 1488 OE1 GLU A 96 -7.730 7.661 5.212 1.00 0.00 O ATOM 1489 OE2 GLU A 96 -8.076 6.412 6.980 1.00 0.00 O ATOM 0 H GLU A 96 -3.799 6.010 7.806 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.001 5.696 4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.141 6.827 4.496 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.348 5.313 5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.646 6.579 7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.480 8.084 6.603 1.00 0.00 H new ATOM 1496 N ALA A 97 -1.578 7.788 5.326 1.00 0.00 N ATOM 1497 CA ALA A 97 -0.817 9.039 5.423 1.00 0.00 C ATOM 1498 C ALA A 97 -1.035 9.948 4.207 1.00 0.00 C ATOM 1499 O ALA A 97 -1.104 9.482 3.072 1.00 0.00 O ATOM 1500 CB ALA A 97 0.667 8.736 5.595 1.00 0.00 C ATOM 0 H ALA A 97 -1.052 7.005 4.938 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.184 9.577 6.297 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.223 9.671 5.666 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.817 8.155 6.505 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.024 8.166 4.737 1.00 0.00 H new ATOM 1506 N ASP A 98 -1.142 11.249 4.453 1.00 0.00 N ATOM 1507 CA ASP A 98 -1.289 12.226 3.374 1.00 0.00 C ATOM 1508 C ASP A 98 0.074 12.612 2.779 1.00 0.00 C ATOM 1509 O ASP A 98 1.115 12.466 3.423 1.00 0.00 O ATOM 1510 CB ASP A 98 -2.020 13.467 3.885 1.00 0.00 C ATOM 1511 CG ASP A 98 -3.423 13.141 4.357 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -4.318 12.967 3.500 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -3.641 13.053 5.585 1.00 0.00 O ATOM 0 H ASP A 98 -1.130 11.654 5.389 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.879 11.768 2.580 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -1.455 13.910 4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.068 14.213 3.092 1.00 0.00 H new ATOM 1518 N LEU A 99 0.062 13.099 1.544 1.00 0.00 N ATOM 1519 CA LEU A 99 1.303 13.441 0.843 1.00 0.00 C ATOM 1520 C LEU A 99 1.796 14.866 1.164 1.00 0.00 C ATOM 1521 O LEU A 99 1.098 15.857 0.933 1.00 0.00 O ATOM 1522 CB LEU A 99 1.151 13.265 -0.686 1.00 0.00 C ATOM 1523 CG LEU A 99 0.275 14.297 -1.437 1.00 0.00 C ATOM 1524 CD1 LEU A 99 0.469 14.165 -2.945 1.00 0.00 C ATOM 1525 CD2 LEU A 99 -1.205 14.152 -1.081 1.00 0.00 C ATOM 0 H LEU A 99 -0.788 13.267 1.005 1.00 0.00 H new ATOM 0 HA LEU A 99 2.058 12.744 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.147 13.283 -1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.738 12.274 -0.872 1.00 0.00 H new ATOM 0 HG LEU A 99 0.597 15.289 -1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.154 14.898 -3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.515 14.341 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.184 13.162 -3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.785 14.894 -1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.548 13.153 -1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.338 14.305 -0.010 1.00 0.00 H new ATOM 1537 N ASP A 100 2.997 14.951 1.732 1.00 0.00 N ATOM 1538 CA ASP A 100 3.726 16.217 1.828 1.00 0.00 C ATOM 1539 C ASP A 100 4.992 16.129 0.965 1.00 0.00 C ATOM 1540 O ASP A 100 6.021 15.605 1.395 1.00 0.00 O ATOM 1541 CB ASP A 100 4.082 16.544 3.286 1.00 0.00 C ATOM 1542 CG ASP A 100 4.742 17.911 3.422 1.00 0.00 C ATOM 1543 OD1 ASP A 100 4.016 18.922 3.493 1.00 0.00 O ATOM 1544 OD2 ASP A 100 5.990 17.983 3.451 1.00 0.00 O ATOM 0 H ASP A 100 3.490 14.154 2.135 1.00 0.00 H new ATOM 0 HA ASP A 100 3.090 17.024 1.463 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.178 16.516 3.894 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.752 15.778 3.676 1.00 0.00 H new ATOM 1549 N LEU A 101 4.895 16.598 -0.271 1.00 0.00 N ATOM 1550 CA LEU A 101 5.976 16.442 -1.246 1.00 0.00 C ATOM 1551 C LEU A 101 6.790 17.721 -1.442 1.00 0.00 C ATOM 1552 O LEU A 101 6.327 18.829 -1.156 1.00 0.00 O ATOM 1553 CB LEU A 101 5.398 15.980 -2.589 1.00 0.00 C ATOM 1554 CG LEU A 101 4.945 14.516 -2.619 1.00 0.00 C ATOM 1555 CD1 LEU A 101 4.277 14.176 -3.950 1.00 0.00 C ATOM 1556 CD2 LEU A 101 6.134 13.594 -2.356 1.00 0.00 C ATOM 0 H LEU A 101 4.077 17.092 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 101 6.659 15.690 -0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.549 16.615 -2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.150 16.130 -3.364 1.00 0.00 H new ATOM 0 HG LEU A 101 4.207 14.367 -1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.965 13.132 -3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.405 14.814 -4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.983 14.339 -4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.802 12.556 -2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.892 13.750 -3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.558 13.817 -1.377 1.00 0.00 H new ATOM 1568 N ASP A 102 8.012 17.545 -1.935 1.00 0.00 N ATOM 1569 CA ASP A 102 8.904 18.675 -2.224 1.00 0.00 C ATOM 1570 C ASP A 102 10.010 18.269 -3.222 1.00 0.00 C ATOM 1571 O ASP A 102 10.136 17.092 -3.571 1.00 0.00 O ATOM 1572 CB ASP A 102 9.517 19.191 -0.910 1.00 0.00 C ATOM 1573 CG ASP A 102 10.177 20.552 -1.057 1.00 0.00 C ATOM 1574 OD1 ASP A 102 9.466 21.573 -0.971 1.00 0.00 O ATOM 1575 OD2 ASP A 102 11.407 20.608 -1.264 1.00 0.00 O ATOM 0 H ASP A 102 8.413 16.631 -2.145 1.00 0.00 H new ATOM 0 HA ASP A 102 8.324 19.473 -2.687 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.737 19.252 -0.151 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.255 18.472 -0.553 1.00 0.00 H new ATOM 1580 N ALA A 103 10.789 19.248 -3.690 1.00 0.00 N ATOM 1581 CA ALA A 103 11.925 19.008 -4.598 1.00 0.00 C ATOM 1582 C ALA A 103 11.498 18.379 -5.938 1.00 0.00 C ATOM 1583 O ALA A 103 11.329 19.079 -6.938 1.00 0.00 O ATOM 1584 CB ALA A 103 12.986 18.144 -3.916 1.00 0.00 C ATOM 0 H ALA A 103 10.654 20.231 -3.453 1.00 0.00 H new ATOM 0 HA ALA A 103 12.351 19.984 -4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 103 13.816 17.978 -4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 103 13.350 18.652 -3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.550 17.185 -3.636 1.00 0.00 H new ATOM 1590 N ASP A 104 11.334 17.056 -5.948 1.00 0.00 N ATOM 1591 CA ASP A 104 10.955 16.318 -7.160 1.00 0.00 C ATOM 1592 C ASP A 104 9.597 15.621 -6.982 1.00 0.00 C ATOM 1593 O ASP A 104 9.168 14.832 -7.831 1.00 0.00 O ATOM 1594 CB ASP A 104 12.031 15.276 -7.490 1.00 0.00 C ATOM 1595 CG ASP A 104 13.392 15.904 -7.733 1.00 0.00 C ATOM 1596 OD1 ASP A 104 13.622 16.414 -8.848 1.00 0.00 O ATOM 1597 OD2 ASP A 104 14.244 15.875 -6.818 1.00 0.00 O ATOM 0 H ASP A 104 11.458 16.467 -5.125 1.00 0.00 H new ATOM 0 HA ASP A 104 10.869 17.031 -7.980 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.105 14.562 -6.670 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.730 14.715 -8.375 1.00 0.00 H new ATOM 1602 N GLY A 105 8.918 15.930 -5.880 1.00 0.00 N ATOM 1603 CA GLY A 105 7.672 15.251 -5.547 1.00 0.00 C ATOM 1604 C GLY A 105 7.881 13.804 -5.099 1.00 0.00 C ATOM 1605 O GLY A 105 7.007 12.960 -5.279 1.00 0.00 O ATOM 0 H GLY A 105 9.208 16.641 -5.208 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.165 15.801 -4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.014 15.265 -6.416 1.00 0.00 H new ATOM 1609 N VAL A 106 9.037 13.521 -4.490 1.00 0.00 N ATOM 1610 CA VAL A 106 9.396 12.139 -4.078 1.00 0.00 C ATOM 1611 C VAL A 106 10.028 11.995 -2.656 1.00 0.00 C ATOM 1612 O VAL A 106 9.965 10.908 -2.071 1.00 0.00 O ATOM 1613 CB VAL A 106 10.408 11.520 -5.071 1.00 0.00 C ATOM 1614 CG1 VAL A 106 10.659 10.042 -4.765 1.00 0.00 C ATOM 1615 CG2 VAL A 106 9.960 11.703 -6.519 1.00 0.00 C ATOM 0 H VAL A 106 9.745 14.220 -4.267 1.00 0.00 H new ATOM 0 HA VAL A 106 8.435 11.624 -4.067 1.00 0.00 H new ATOM 0 HB VAL A 106 11.349 12.055 -4.943 1.00 0.00 H new ATOM 0 HG11 VAL A 106 11.375 9.639 -5.481 1.00 0.00 H new ATOM 0 HG12 VAL A 106 11.060 9.942 -3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.722 9.491 -4.839 1.00 0.00 H new ATOM 0 HG21 VAL A 106 10.696 11.255 -7.187 1.00 0.00 H new ATOM 0 HG22 VAL A 106 8.995 11.218 -6.665 1.00 0.00 H new ATOM 0 HG23 VAL A 106 9.869 12.766 -6.740 1.00 0.00 H new ATOM 1625 N PRO A 107 10.631 13.040 -2.045 1.00 0.00 N ATOM 1626 CA PRO A 107 11.529 12.850 -0.896 1.00 0.00 C ATOM 1627 C PRO A 107 10.819 12.895 0.463 1.00 0.00 C ATOM 1628 O PRO A 107 11.268 13.579 1.383 1.00 0.00 O ATOM 1629 CB PRO A 107 12.452 14.054 -1.056 1.00 0.00 C ATOM 1630 CG PRO A 107 11.536 15.143 -1.504 1.00 0.00 C ATOM 1631 CD PRO A 107 10.472 14.477 -2.341 1.00 0.00 C ATOM 0 HA PRO A 107 12.012 11.873 -0.896 1.00 0.00 H new ATOM 0 HB2 PRO A 107 12.947 14.307 -0.118 1.00 0.00 H new ATOM 0 HB3 PRO A 107 13.236 13.863 -1.789 1.00 0.00 H new ATOM 0 HG2 PRO A 107 11.095 15.657 -0.650 1.00 0.00 H new ATOM 0 HG3 PRO A 107 12.075 15.892 -2.083 1.00 0.00 H new ATOM 0 HD2 PRO A 107 9.476 14.831 -2.076 1.00 0.00 H new ATOM 0 HD3 PRO A 107 10.612 14.684 -3.402 1.00 0.00 H new ATOM 1639 N GLN A 108 9.737 12.134 0.619 1.00 0.00 N ATOM 1640 CA GLN A 108 8.914 12.268 1.824 1.00 0.00 C ATOM 1641 C GLN A 108 8.694 10.937 2.562 1.00 0.00 C ATOM 1642 O GLN A 108 7.718 10.754 3.296 1.00 0.00 O ATOM 1643 CB GLN A 108 7.597 12.991 1.468 1.00 0.00 C ATOM 1644 CG GLN A 108 6.457 12.125 0.920 1.00 0.00 C ATOM 1645 CD GLN A 108 6.865 11.066 -0.103 1.00 0.00 C ATOM 1646 OE1 GLN A 108 6.313 9.971 -0.121 1.00 0.00 O ATOM 1647 NE2 GLN A 108 7.776 11.383 -1.000 1.00 0.00 N ATOM 0 H GLN A 108 9.414 11.436 -0.052 1.00 0.00 H new ATOM 0 HA GLN A 108 9.459 12.881 2.542 1.00 0.00 H new ATOM 0 HB2 GLN A 108 7.237 13.500 2.362 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.822 13.762 0.731 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.969 11.626 1.757 1.00 0.00 H new ATOM 0 HG3 GLN A 108 5.715 12.780 0.462 1.00 0.00 H new ATOM 0 HE21 GLN A 108 8.225 12.298 -0.970 1.00 0.00 H new ATOM 0 HE22 GLN A 108 8.033 10.713 -1.725 1.00 0.00 H new ATOM 1656 N LEU A 109 9.636 10.019 2.382 1.00 0.00 N ATOM 1657 CA LEU A 109 9.694 8.797 3.197 1.00 0.00 C ATOM 1658 C LEU A 109 10.756 8.926 4.302 1.00 0.00 C ATOM 1659 O LEU A 109 10.789 8.123 5.231 1.00 0.00 O ATOM 1660 CB LEU A 109 9.946 7.542 2.337 1.00 0.00 C ATOM 1661 CG LEU A 109 8.767 6.548 2.285 1.00 0.00 C ATOM 1662 CD1 LEU A 109 7.532 7.199 1.664 1.00 0.00 C ATOM 1663 CD2 LEU A 109 9.155 5.282 1.524 1.00 0.00 C ATOM 0 H LEU A 109 10.373 10.091 1.681 1.00 0.00 H new ATOM 0 HA LEU A 109 8.719 8.676 3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 109 10.183 7.856 1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.824 7.024 2.723 1.00 0.00 H new ATOM 0 HG LEU A 109 8.520 6.265 3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.715 6.478 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.236 8.062 2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.763 7.522 0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.307 4.597 1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.438 5.543 0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 109 9.997 4.801 2.023 1.00 0.00 H new ATOM 1675 N GLY A 110 11.605 9.956 4.206 1.00 0.00 N ATOM 1676 CA GLY A 110 12.618 10.206 5.236 1.00 0.00 C ATOM 1677 C GLY A 110 12.001 10.596 6.575 1.00 0.00 C ATOM 1678 O GLY A 110 12.690 10.714 7.586 1.00 0.00 O ATOM 0 H GLY A 110 11.611 10.623 3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 110 13.228 9.312 5.367 1.00 0.00 H new ATOM 0 HA3 GLY A 110 13.285 11.001 4.901 1.00 0.00 H new ATOM 1682 N ASP A 111 10.693 10.833 6.555 1.00 0.00 N ATOM 1683 CA ASP A 111 9.912 11.089 7.762 1.00 0.00 C ATOM 1684 C ASP A 111 9.499 9.774 8.447 1.00 0.00 C ATOM 1685 O ASP A 111 9.326 9.715 9.662 1.00 0.00 O ATOM 1686 CB ASP A 111 8.654 11.879 7.382 1.00 0.00 C ATOM 1687 CG ASP A 111 8.960 13.080 6.502 1.00 0.00 C ATOM 1688 OD1 ASP A 111 9.340 12.882 5.329 1.00 0.00 O ATOM 1689 OD2 ASP A 111 8.814 14.223 6.977 1.00 0.00 O ATOM 0 H ASP A 111 10.142 10.853 5.697 1.00 0.00 H new ATOM 0 HA ASP A 111 10.526 11.659 8.459 1.00 0.00 H new ATOM 0 HB2 ASP A 111 7.959 11.220 6.862 1.00 0.00 H new ATOM 0 HB3 ASP A 111 8.154 12.217 8.290 1.00 0.00 H new ATOM 1694 N HIS A 112 9.323 8.731 7.638 1.00 0.00 N ATOM 1695 CA HIS A 112 8.781 7.449 8.110 1.00 0.00 C ATOM 1696 C HIS A 112 9.883 6.401 8.344 1.00 0.00 C ATOM 1697 O HIS A 112 9.868 5.684 9.342 1.00 0.00 O ATOM 1698 CB HIS A 112 7.762 6.927 7.090 1.00 0.00 C ATOM 1699 CG HIS A 112 6.795 7.978 6.637 1.00 0.00 C ATOM 1700 ND1 HIS A 112 5.862 8.559 7.467 1.00 0.00 N ATOM 1701 CD2 HIS A 112 6.644 8.581 5.435 1.00 0.00 C ATOM 1702 CE1 HIS A 112 5.185 9.469 6.799 1.00 0.00 C ATOM 1703 NE2 HIS A 112 5.639 9.505 5.562 1.00 0.00 N ATOM 0 H HIS A 112 9.549 8.745 6.643 1.00 0.00 H new ATOM 0 HA HIS A 112 8.297 7.621 9.071 1.00 0.00 H new ATOM 0 HB2 HIS A 112 8.293 6.532 6.224 1.00 0.00 H new ATOM 0 HB3 HIS A 112 7.208 6.097 7.530 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.211 8.373 4.540 1.00 0.00 H new ATOM 0 HE1 HIS A 112 4.391 10.083 7.197 1.00 0.00 H new ATOM 0 HE2 HIS A 112 5.299 10.119 4.822 1.00 0.00 H new ATOM 1712 N LEU A 113 10.823 6.308 7.404 1.00 0.00 N ATOM 1713 CA LEU A 113 11.916 5.334 7.492 1.00 0.00 C ATOM 1714 C LEU A 113 12.964 5.774 8.520 1.00 0.00 C ATOM 1715 O LEU A 113 13.129 5.156 9.572 1.00 0.00 O ATOM 1716 CB LEU A 113 12.578 5.152 6.116 1.00 0.00 C ATOM 1717 CG LEU A 113 11.623 4.813 4.959 1.00 0.00 C ATOM 1718 CD1 LEU A 113 12.401 4.602 3.661 1.00 0.00 C ATOM 1719 CD2 LEU A 113 10.776 3.587 5.294 1.00 0.00 C ATOM 0 H LEU A 113 10.851 6.895 6.571 1.00 0.00 H new ATOM 0 HA LEU A 113 11.494 4.383 7.816 1.00 0.00 H new ATOM 0 HB2 LEU A 113 13.112 6.068 5.866 1.00 0.00 H new ATOM 0 HB3 LEU A 113 13.323 4.360 6.193 1.00 0.00 H new ATOM 0 HG LEU A 113 10.949 5.657 4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.707 4.363 2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.947 5.512 3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 113 13.105 3.780 3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 113 10.109 3.367 4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.428 2.732 5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 113 10.186 3.786 6.189 1.00 0.00 H new