USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 713 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 SER OG : rot 3:sc= 0.204 USER MOD Set 1.2: A 75 HIS : no HE2:sc= -0.147 K(o=1.4,f=-6.8!) USER MOD Set 1.3: A 94 TYR OH : rot -11:sc= 1.34 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 165:sc=-0.00633 USER MOD Single : A 18 GLN : amide:sc= -0.5 K(o=-0.5,f=-1.1) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 22 SER OG : rot 70:sc= 1.26 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.343 X(o=-0.34,f=-0.013) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0227 USER MOD Single : A 35 GLN :FLIP amide:sc= -0.0189 F(o=-1.3!,f=-0.019) USER MOD Single : A 38 THR OG1 : rot 81:sc= 1.32 USER MOD Single : A 41 MET CE :methyl 157:sc= -0.148 (180deg=-0.84) USER MOD Single : A 42 GLN : amide:sc= 0.0677 K(o=0.068,f=-0.69) USER MOD Single : A 43 SER OG : rot -84:sc= 1.22 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.912 K(o=-0.91,f=-3.2!) USER MOD Single : A 49 GLN : amide:sc= -1.53! C(o=-1.5!,f=-5.3!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 57 SER OG : rot -140:sc= -0.233 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 145:sc= 0.899 (180deg=-0.687!) USER MOD Single : A 66 THR OG1 : rot -140:sc= -0.933 USER MOD Single : A 74 MET CE :methyl -162:sc= -0.0867 (180deg=-0.502) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -39:sc= 0.276 USER MOD Single : A 84 GLN : amide:sc=-0.00307 X(o=-0.0031,f=-0.0064) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N TRP A 6 -3.248 9.622 7.382 1.00 0.00 N ATOM 73 CA TRP A 6 -3.333 8.674 6.272 1.00 0.00 C ATOM 74 C TRP A 6 -4.594 8.968 5.458 1.00 0.00 C ATOM 75 O TRP A 6 -5.709 8.633 5.859 1.00 0.00 O ATOM 76 CB TRP A 6 -3.308 7.216 6.762 1.00 0.00 C ATOM 77 CG TRP A 6 -2.964 6.231 5.685 1.00 0.00 C ATOM 78 CD1 TRP A 6 -2.284 6.490 4.532 1.00 0.00 C ATOM 79 CD2 TRP A 6 -3.265 4.829 5.666 1.00 0.00 C ATOM 80 NE1 TRP A 6 -2.151 5.342 3.791 1.00 0.00 N ATOM 81 CE2 TRP A 6 -2.745 4.305 4.466 1.00 0.00 C ATOM 82 CE3 TRP A 6 -3.928 3.967 6.545 1.00 0.00 C ATOM 83 CZ2 TRP A 6 -2.866 2.957 4.126 1.00 0.00 C ATOM 84 CZ3 TRP A 6 -4.047 2.633 6.207 1.00 0.00 C ATOM 85 CH2 TRP A 6 -3.520 2.140 5.007 1.00 0.00 C ATOM 0 HA TRP A 6 -2.457 8.799 5.635 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -2.584 7.125 7.572 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -4.284 6.963 7.177 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -1.905 7.459 4.243 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.686 5.271 2.886 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -4.340 4.338 7.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.459 2.573 3.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -4.555 1.958 6.880 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.632 1.092 4.772 1.00 0.00 H new ATOM 96 N ALA A 7 -4.395 9.607 4.310 1.00 0.00 N ATOM 97 CA ALA A 7 -5.490 10.178 3.520 1.00 0.00 C ATOM 98 C ALA A 7 -6.279 9.125 2.734 1.00 0.00 C ATOM 99 O ALA A 7 -6.537 9.289 1.541 1.00 0.00 O ATOM 100 CB ALA A 7 -4.939 11.235 2.576 1.00 0.00 C ATOM 0 H ALA A 7 -3.472 9.746 3.898 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.192 10.628 4.222 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.754 11.659 1.989 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.459 12.025 3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.208 10.780 1.907 1.00 0.00 H new ATOM 106 N VAL A 8 -6.680 8.065 3.411 1.00 0.00 N ATOM 107 CA VAL A 8 -7.546 7.056 2.820 1.00 0.00 C ATOM 108 C VAL A 8 -8.803 6.887 3.676 1.00 0.00 C ATOM 109 O VAL A 8 -8.713 6.674 4.887 1.00 0.00 O ATOM 110 CB VAL A 8 -6.812 5.702 2.647 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.287 5.183 3.970 1.00 0.00 C ATOM 112 CG2 VAL A 8 -7.718 4.667 1.999 1.00 0.00 C ATOM 0 H VAL A 8 -6.418 7.878 4.379 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.834 7.395 1.825 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.961 5.878 1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.778 4.232 3.812 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.586 5.904 4.391 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.118 5.039 4.660 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.177 3.727 1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.596 4.510 2.625 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.031 5.021 1.017 1.00 0.00 H new ATOM 122 N PRO A 9 -9.992 7.020 3.058 1.00 0.00 N ATOM 123 CA PRO A 9 -11.279 6.943 3.762 1.00 0.00 C ATOM 124 C PRO A 9 -11.425 5.687 4.616 1.00 0.00 C ATOM 125 O PRO A 9 -10.943 4.610 4.257 1.00 0.00 O ATOM 126 CB PRO A 9 -12.305 6.935 2.625 1.00 0.00 C ATOM 127 CG PRO A 9 -11.625 7.639 1.505 1.00 0.00 C ATOM 128 CD PRO A 9 -10.173 7.273 1.616 1.00 0.00 C ATOM 0 HA PRO A 9 -11.396 7.767 4.465 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.580 5.918 2.346 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.223 7.445 2.915 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.034 7.330 0.543 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.764 8.718 1.579 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.934 6.392 1.021 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.528 8.079 1.266 1.00 0.00 H new ATOM 136 N GLN A 10 -12.113 5.835 5.741 1.00 0.00 N ATOM 137 CA GLN A 10 -12.290 4.750 6.700 1.00 0.00 C ATOM 138 C GLN A 10 -13.035 3.574 6.072 1.00 0.00 C ATOM 139 O GLN A 10 -12.656 2.415 6.264 1.00 0.00 O ATOM 140 CB GLN A 10 -13.038 5.264 7.935 1.00 0.00 C ATOM 141 CG GLN A 10 -13.407 4.183 8.936 1.00 0.00 C ATOM 142 CD GLN A 10 -14.073 4.740 10.179 1.00 0.00 C ATOM 143 OE1 GLN A 10 -13.774 5.850 10.618 1.00 0.00 O ATOM 144 NE2 GLN A 10 -14.995 3.980 10.742 1.00 0.00 N ATOM 0 H GLN A 10 -12.563 6.708 6.015 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.305 4.394 7.003 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.421 6.010 8.435 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.948 5.768 7.610 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.076 3.466 8.460 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.508 3.638 9.224 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -15.213 3.065 10.347 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.489 4.308 11.572 1.00 0.00 H new ATOM 153 N SER A 11 -14.084 3.876 5.315 1.00 0.00 N ATOM 154 CA SER A 11 -14.855 2.847 4.629 1.00 0.00 C ATOM 155 C SER A 11 -13.973 2.058 3.663 1.00 0.00 C ATOM 156 O SER A 11 -14.104 0.837 3.542 1.00 0.00 O ATOM 157 CB SER A 11 -16.021 3.483 3.873 1.00 0.00 C ATOM 158 OG SER A 11 -16.821 4.268 4.742 1.00 0.00 O ATOM 0 H SER A 11 -14.420 4.827 5.161 1.00 0.00 H new ATOM 0 HA SER A 11 -15.246 2.157 5.377 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.639 4.105 3.064 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.631 2.704 3.416 1.00 0.00 H new ATOM 0 HG SER A 11 -17.560 4.666 4.236 1.00 0.00 H new ATOM 164 N SER A 12 -13.058 2.763 3.005 1.00 0.00 N ATOM 165 CA SER A 12 -12.138 2.149 2.058 1.00 0.00 C ATOM 166 C SER A 12 -11.165 1.229 2.801 1.00 0.00 C ATOM 167 O SER A 12 -10.905 0.102 2.372 1.00 0.00 O ATOM 168 CB SER A 12 -11.377 3.242 1.296 1.00 0.00 C ATOM 169 OG SER A 12 -10.706 2.721 0.164 1.00 0.00 O ATOM 0 H SER A 12 -12.935 3.770 3.113 1.00 0.00 H new ATOM 0 HA SER A 12 -12.699 1.550 1.340 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.074 4.018 0.980 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.655 3.714 1.962 1.00 0.00 H new ATOM 0 HG SER A 12 -10.904 1.765 0.077 1.00 0.00 H new ATOM 175 N ARG A 13 -10.657 1.714 3.938 1.00 0.00 N ATOM 176 CA ARG A 13 -9.746 0.935 4.774 1.00 0.00 C ATOM 177 C ARG A 13 -10.381 -0.394 5.163 1.00 0.00 C ATOM 178 O ARG A 13 -9.795 -1.454 4.971 1.00 0.00 O ATOM 179 CB ARG A 13 -9.385 1.697 6.055 1.00 0.00 C ATOM 180 CG ARG A 13 -8.727 3.048 5.832 1.00 0.00 C ATOM 181 CD ARG A 13 -8.418 3.725 7.157 1.00 0.00 C ATOM 182 NE ARG A 13 -7.888 5.073 6.987 1.00 0.00 N ATOM 183 CZ ARG A 13 -7.224 5.738 7.933 1.00 0.00 C ATOM 184 NH1 ARG A 13 -7.013 5.179 9.119 1.00 0.00 N ATOM 185 NH2 ARG A 13 -6.779 6.960 7.698 1.00 0.00 N ATOM 0 H ARG A 13 -10.864 2.645 4.299 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.842 0.758 4.191 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.292 1.843 6.641 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.716 1.078 6.652 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.807 2.919 5.261 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.384 3.684 5.239 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.326 3.769 7.759 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.697 3.122 7.710 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.034 5.535 6.090 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.359 4.238 9.308 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.505 5.690 9.841 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.943 7.397 6.791 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.271 7.466 8.424 1.00 0.00 H new ATOM 199 N LEU A 14 -11.593 -0.319 5.700 1.00 0.00 N ATOM 200 CA LEU A 14 -12.296 -1.490 6.198 1.00 0.00 C ATOM 201 C LEU A 14 -12.558 -2.508 5.088 1.00 0.00 C ATOM 202 O LEU A 14 -12.327 -3.706 5.261 1.00 0.00 O ATOM 203 CB LEU A 14 -13.620 -1.056 6.824 1.00 0.00 C ATOM 204 CG LEU A 14 -13.503 -0.178 8.071 1.00 0.00 C ATOM 205 CD1 LEU A 14 -14.881 0.212 8.579 1.00 0.00 C ATOM 206 CD2 LEU A 14 -12.717 -0.895 9.159 1.00 0.00 C ATOM 0 H LEU A 14 -12.113 0.553 5.801 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.666 -1.971 6.946 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.197 -0.516 6.073 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.190 -1.949 7.082 1.00 0.00 H new ATOM 0 HG LEU A 14 -12.965 0.731 7.801 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.778 0.836 9.467 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.411 0.767 7.804 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.444 -0.687 8.831 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.645 -0.254 10.038 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.227 -1.821 9.426 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.716 -1.124 8.794 1.00 0.00 H new ATOM 218 N LYS A 15 -13.032 -2.020 3.952 1.00 0.00 N ATOM 219 CA LYS A 15 -13.414 -2.882 2.839 1.00 0.00 C ATOM 220 C LYS A 15 -12.216 -3.656 2.299 1.00 0.00 C ATOM 221 O LYS A 15 -12.304 -4.862 2.075 1.00 0.00 O ATOM 222 CB LYS A 15 -14.049 -2.041 1.728 1.00 0.00 C ATOM 223 CG LYS A 15 -14.633 -2.856 0.585 1.00 0.00 C ATOM 224 CD LYS A 15 -15.254 -1.947 -0.462 1.00 0.00 C ATOM 225 CE LYS A 15 -15.931 -2.740 -1.568 1.00 0.00 C ATOM 226 NZ LYS A 15 -16.557 -1.851 -2.585 1.00 0.00 N ATOM 0 H LYS A 15 -13.163 -1.024 3.774 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.141 -3.609 3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.838 -1.425 2.160 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.297 -1.361 1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.851 -3.463 0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.387 -3.543 0.970 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.983 -1.290 0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.483 -1.308 -0.892 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.199 -3.386 -2.052 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.692 -3.389 -1.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.008 -2.430 -3.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.274 -1.252 -2.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.827 -1.249 -3.016 1.00 0.00 H new ATOM 240 N TYR A 16 -11.095 -2.972 2.110 1.00 0.00 N ATOM 241 CA TYR A 16 -9.909 -3.617 1.565 1.00 0.00 C ATOM 242 C TYR A 16 -9.085 -4.281 2.663 1.00 0.00 C ATOM 243 O TYR A 16 -8.137 -5.006 2.377 1.00 0.00 O ATOM 244 CB TYR A 16 -9.046 -2.619 0.785 1.00 0.00 C ATOM 245 CG TYR A 16 -9.752 -2.007 -0.404 1.00 0.00 C ATOM 246 CD1 TYR A 16 -10.297 -2.807 -1.398 1.00 0.00 C ATOM 247 CD2 TYR A 16 -9.874 -0.630 -0.531 1.00 0.00 C ATOM 248 CE1 TYR A 16 -10.945 -2.253 -2.485 1.00 0.00 C ATOM 249 CE2 TYR A 16 -10.520 -0.067 -1.614 1.00 0.00 C ATOM 250 CZ TYR A 16 -11.054 -0.883 -2.588 1.00 0.00 C ATOM 251 OH TYR A 16 -11.701 -0.329 -3.668 1.00 0.00 O ATOM 0 H TYR A 16 -10.983 -1.981 2.324 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.248 -4.391 0.877 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.729 -1.822 1.458 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.143 -3.124 0.441 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.213 -3.881 -1.321 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.456 0.012 0.230 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.364 -2.890 -3.250 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -10.606 1.006 -1.697 1.00 0.00 H new ATOM 0 HH TYR A 16 -11.904 0.611 -3.481 1.00 0.00 H new ATOM 261 N ARG A 17 -9.432 -4.026 3.917 1.00 0.00 N ATOM 262 CA ARG A 17 -8.853 -4.780 5.020 1.00 0.00 C ATOM 263 C ARG A 17 -9.491 -6.154 5.059 1.00 0.00 C ATOM 264 O ARG A 17 -8.863 -7.131 5.437 1.00 0.00 O ATOM 265 CB ARG A 17 -9.076 -4.096 6.360 1.00 0.00 C ATOM 266 CG ARG A 17 -8.246 -4.716 7.465 1.00 0.00 C ATOM 267 CD ARG A 17 -8.693 -4.255 8.834 1.00 0.00 C ATOM 268 NE ARG A 17 -9.934 -4.908 9.249 1.00 0.00 N ATOM 269 CZ ARG A 17 -10.589 -4.632 10.376 1.00 0.00 C ATOM 270 NH1 ARG A 17 -10.136 -3.700 11.207 1.00 0.00 N ATOM 271 NH2 ARG A 17 -11.692 -5.300 10.672 1.00 0.00 N ATOM 0 H ARG A 17 -10.104 -3.311 4.194 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.778 -4.848 4.854 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.828 -3.038 6.272 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.132 -4.155 6.625 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.318 -5.802 7.407 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.197 -4.457 7.320 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.910 -4.466 9.562 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.836 -3.175 8.825 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.324 -5.623 8.635 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.281 -3.190 10.984 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.643 -3.494 12.068 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.037 -6.022 10.039 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.198 -5.093 11.533 1.00 0.00 H new ATOM 285 N GLN A 18 -10.752 -6.196 4.653 1.00 0.00 N ATOM 286 CA GLN A 18 -11.546 -7.416 4.610 1.00 0.00 C ATOM 287 C GLN A 18 -11.210 -8.261 3.387 1.00 0.00 C ATOM 288 O GLN A 18 -11.588 -9.423 3.291 1.00 0.00 O ATOM 289 CB GLN A 18 -13.017 -7.038 4.560 1.00 0.00 C ATOM 290 CG GLN A 18 -13.767 -7.318 5.848 1.00 0.00 C ATOM 291 CD GLN A 18 -13.628 -8.755 6.305 1.00 0.00 C ATOM 292 OE1 GLN A 18 -12.719 -9.088 7.064 1.00 0.00 O ATOM 293 NE2 GLN A 18 -14.518 -9.614 5.838 1.00 0.00 N ATOM 0 H GLN A 18 -11.261 -5.370 4.339 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.322 -8.004 5.500 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.102 -5.977 4.325 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.495 -7.584 3.747 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.397 -6.655 6.630 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.823 -7.087 5.706 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.256 -9.294 5.210 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.467 -10.597 6.105 1.00 0.00 H new ATOM 302 N LEU A 19 -10.508 -7.653 2.460 1.00 0.00 N ATOM 303 CA LEU A 19 -10.244 -8.232 1.143 1.00 0.00 C ATOM 304 C LEU A 19 -9.003 -7.614 0.574 1.00 0.00 C ATOM 305 O LEU A 19 -8.980 -7.329 -0.616 1.00 0.00 O ATOM 306 CB LEU A 19 -11.363 -7.827 0.206 1.00 0.00 C ATOM 307 CG LEU A 19 -11.642 -8.782 -0.956 1.00 0.00 C ATOM 308 CD1 LEU A 19 -12.401 -10.007 -0.483 1.00 0.00 C ATOM 309 CD2 LEU A 19 -12.402 -8.062 -2.059 1.00 0.00 C ATOM 0 H LEU A 19 -10.094 -6.730 2.591 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.152 -9.314 1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -12.277 -7.719 0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.129 -6.845 -0.205 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.688 -9.120 -1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.586 -10.669 -1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.811 -10.533 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.352 -9.700 -0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.594 -8.753 -2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.349 -7.693 -1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.808 -7.223 -2.422 1.00 0.00 H new ATOM 321 N PHE A 20 -7.947 -7.423 1.344 1.00 0.00 N ATOM 322 CA PHE A 20 -7.194 -8.443 2.116 1.00 0.00 C ATOM 323 C PHE A 20 -7.955 -9.586 2.813 1.00 0.00 C ATOM 324 O PHE A 20 -8.104 -10.641 2.213 1.00 0.00 O ATOM 325 CB PHE A 20 -6.313 -7.721 3.143 1.00 0.00 C ATOM 326 CG PHE A 20 -5.038 -8.448 3.464 1.00 0.00 C ATOM 327 CD1 PHE A 20 -3.947 -8.359 2.614 1.00 0.00 C ATOM 328 CD2 PHE A 20 -4.928 -9.217 4.609 1.00 0.00 C ATOM 329 CE1 PHE A 20 -2.770 -9.023 2.903 1.00 0.00 C ATOM 330 CE2 PHE A 20 -3.755 -9.882 4.902 1.00 0.00 C ATOM 331 CZ PHE A 20 -2.676 -9.787 4.048 1.00 0.00 C ATOM 0 H PHE A 20 -7.551 -6.491 1.467 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.645 -8.978 1.341 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.069 -6.728 2.765 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.882 -7.581 4.062 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.017 -7.764 1.715 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.770 -9.298 5.281 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.926 -8.944 2.234 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.682 -10.477 5.800 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.759 -10.310 4.275 1.00 0.00 H new ATOM 341 N ASN A 21 -8.455 -9.366 4.033 1.00 0.00 N ATOM 342 CA ASN A 21 -8.617 -10.441 5.052 1.00 0.00 C ATOM 343 C ASN A 21 -9.294 -11.733 4.559 1.00 0.00 C ATOM 344 O ASN A 21 -8.969 -12.812 5.055 1.00 0.00 O ATOM 345 CB ASN A 21 -9.373 -9.909 6.276 1.00 0.00 C ATOM 346 CG ASN A 21 -9.380 -10.893 7.436 1.00 0.00 C ATOM 347 OD1 ASN A 21 -10.303 -11.689 7.588 1.00 0.00 O ATOM 348 ND2 ASN A 21 -8.341 -10.847 8.258 1.00 0.00 N ATOM 0 H ASN A 21 -8.761 -8.447 4.354 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.596 -10.725 5.307 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.917 -8.974 6.601 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.400 -9.681 5.992 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.289 -11.487 9.050 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.594 -10.171 8.098 1.00 0.00 H new ATOM 355 N SER A 22 -10.205 -11.655 3.601 1.00 0.00 N ATOM 356 CA SER A 22 -10.811 -12.861 3.040 1.00 0.00 C ATOM 357 C SER A 22 -9.742 -13.767 2.409 1.00 0.00 C ATOM 358 O SER A 22 -9.916 -14.979 2.299 1.00 0.00 O ATOM 359 CB SER A 22 -11.862 -12.489 1.998 1.00 0.00 C ATOM 360 OG SER A 22 -12.866 -11.651 2.550 1.00 0.00 O ATOM 0 H SER A 22 -10.541 -10.781 3.197 1.00 0.00 H new ATOM 0 HA SER A 22 -11.292 -13.408 3.850 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.383 -11.982 1.161 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.320 -13.395 1.602 1.00 0.00 H new ATOM 0 HG SER A 22 -12.486 -10.769 2.744 1.00 0.00 H new ATOM 366 N HIS A 23 -8.630 -13.162 2.013 1.00 0.00 N ATOM 367 CA HIS A 23 -7.515 -13.884 1.405 1.00 0.00 C ATOM 368 C HIS A 23 -6.393 -14.092 2.423 1.00 0.00 C ATOM 369 O HIS A 23 -5.330 -14.610 2.088 1.00 0.00 O ATOM 370 CB HIS A 23 -6.966 -13.109 0.197 1.00 0.00 C ATOM 371 CG HIS A 23 -7.932 -12.964 -0.943 1.00 0.00 C ATOM 372 ND1 HIS A 23 -8.079 -13.911 -1.933 1.00 0.00 N ATOM 373 CD2 HIS A 23 -8.786 -11.961 -1.258 1.00 0.00 C ATOM 374 CE1 HIS A 23 -8.979 -13.498 -2.805 1.00 0.00 C ATOM 375 NE2 HIS A 23 -9.426 -12.317 -2.420 1.00 0.00 N ATOM 0 H HIS A 23 -8.473 -12.158 2.103 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.884 -14.854 1.072 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.662 -12.116 0.527 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.070 -13.613 -0.165 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.936 -11.049 -0.699 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -9.297 -14.036 -3.686 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -10.130 -11.761 -2.905 1.00 0.00 H new ATOM 384 N ASP A 24 -6.642 -13.688 3.661 1.00 0.00 N ATOM 385 CA ASP A 24 -5.630 -13.754 4.716 1.00 0.00 C ATOM 386 C ASP A 24 -5.713 -15.081 5.458 1.00 0.00 C ATOM 387 O ASP A 24 -6.803 -15.605 5.697 1.00 0.00 O ATOM 388 CB ASP A 24 -5.802 -12.584 5.688 1.00 0.00 C ATOM 389 CG ASP A 24 -4.838 -12.617 6.864 1.00 0.00 C ATOM 390 OD1 ASP A 24 -3.707 -13.136 6.715 1.00 0.00 O ATOM 391 OD2 ASP A 24 -5.211 -12.112 7.941 1.00 0.00 O ATOM 0 H ASP A 24 -7.539 -13.309 3.964 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.645 -13.683 4.255 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.666 -11.649 5.144 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.824 -12.586 6.067 1.00 0.00 H new ATOM 467 N HIS A 30 0.452 -10.533 5.329 1.00 0.00 N ATOM 468 CA HIS A 30 0.915 -10.120 3.990 1.00 0.00 C ATOM 469 C HIS A 30 0.639 -11.160 2.900 1.00 0.00 C ATOM 470 O HIS A 30 0.356 -12.326 3.166 1.00 0.00 O ATOM 471 CB HIS A 30 2.409 -9.712 3.977 1.00 0.00 C ATOM 472 CG HIS A 30 3.412 -10.833 4.079 1.00 0.00 C ATOM 473 ND1 HIS A 30 4.214 -11.014 5.182 1.00 0.00 N ATOM 474 CD2 HIS A 30 3.760 -11.809 3.202 1.00 0.00 C ATOM 475 CE1 HIS A 30 5.010 -12.048 4.985 1.00 0.00 C ATOM 476 NE2 HIS A 30 4.756 -12.550 3.791 1.00 0.00 N ATOM 0 HA HIS A 30 0.319 -9.239 3.753 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.605 -9.162 3.057 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.582 -9.023 4.804 1.00 0.00 H new ATOM 0 HD2 HIS A 30 3.333 -11.973 2.223 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.745 -12.421 5.683 1.00 0.00 H new ATOM 0 HE2 HIS A 30 5.222 -13.356 3.374 1.00 0.00 H new ATOM 485 N LEU A 31 0.710 -10.703 1.660 1.00 0.00 N ATOM 486 CA LEU A 31 0.614 -11.578 0.501 1.00 0.00 C ATOM 487 C LEU A 31 1.940 -11.566 -0.243 1.00 0.00 C ATOM 488 O LEU A 31 2.789 -10.709 0.013 1.00 0.00 O ATOM 489 CB LEU A 31 -0.517 -11.130 -0.434 1.00 0.00 C ATOM 490 CG LEU A 31 -1.923 -11.183 0.170 1.00 0.00 C ATOM 491 CD1 LEU A 31 -2.952 -10.671 -0.825 1.00 0.00 C ATOM 492 CD2 LEU A 31 -2.266 -12.600 0.607 1.00 0.00 C ATOM 0 H LEU A 31 0.835 -9.718 1.428 1.00 0.00 H new ATOM 0 HA LEU A 31 0.389 -12.589 0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.316 -10.109 -0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.499 -11.756 -1.326 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.941 -10.538 1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.945 -10.716 -0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.720 -9.639 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.930 -11.290 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.269 -12.616 1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.227 -13.266 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.548 -12.934 1.356 1.00 0.00 H new ATOM 504 N THR A 32 2.130 -12.510 -1.151 1.00 0.00 N ATOM 505 CA THR A 32 3.369 -12.580 -1.905 1.00 0.00 C ATOM 506 C THR A 32 3.278 -11.736 -3.168 1.00 0.00 C ATOM 507 O THR A 32 2.200 -11.244 -3.514 1.00 0.00 O ATOM 508 CB THR A 32 3.718 -14.033 -2.279 1.00 0.00 C ATOM 509 OG1 THR A 32 2.637 -14.629 -3.005 1.00 0.00 O ATOM 510 CG2 THR A 32 4.009 -14.855 -1.034 1.00 0.00 C ATOM 0 H THR A 32 1.448 -13.232 -1.382 1.00 0.00 H new ATOM 0 HA THR A 32 4.161 -12.187 -1.267 1.00 0.00 H new ATOM 0 HB THR A 32 4.610 -14.018 -2.905 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.870 -15.552 -3.239 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.253 -15.878 -1.322 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.852 -14.418 -0.498 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.131 -14.860 -0.388 1.00 0.00 H new ATOM 518 N GLY A 33 4.407 -11.571 -3.846 1.00 0.00 N ATOM 519 CA GLY A 33 4.454 -10.769 -5.060 1.00 0.00 C ATOM 520 C GLY A 33 3.428 -11.185 -6.099 1.00 0.00 C ATOM 521 O GLY A 33 2.521 -10.415 -6.411 1.00 0.00 O ATOM 0 H GLY A 33 5.301 -11.982 -3.576 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.294 -9.722 -4.801 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.451 -10.841 -5.496 1.00 0.00 H new ATOM 525 N PRO A 34 3.545 -12.403 -6.656 1.00 0.00 N ATOM 526 CA PRO A 34 2.619 -12.896 -7.684 1.00 0.00 C ATOM 527 C PRO A 34 1.160 -12.878 -7.234 1.00 0.00 C ATOM 528 O PRO A 34 0.284 -12.491 -8.001 1.00 0.00 O ATOM 529 CB PRO A 34 3.083 -14.333 -7.927 1.00 0.00 C ATOM 530 CG PRO A 34 4.508 -14.348 -7.500 1.00 0.00 C ATOM 531 CD PRO A 34 4.599 -13.388 -6.351 1.00 0.00 C ATOM 0 HA PRO A 34 2.642 -12.266 -8.573 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.490 -15.043 -7.351 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.981 -14.610 -8.976 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.816 -15.349 -7.199 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.164 -14.045 -8.316 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.424 -13.884 -5.396 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.582 -12.921 -6.292 1.00 0.00 H new ATOM 539 N GLN A 35 0.901 -13.285 -5.994 1.00 0.00 N ATOM 540 CA GLN A 35 -0.466 -13.320 -5.480 1.00 0.00 C ATOM 541 C GLN A 35 -1.058 -11.915 -5.425 1.00 0.00 C ATOM 542 O GLN A 35 -2.182 -11.688 -5.880 1.00 0.00 O ATOM 543 CB GLN A 35 -0.515 -13.973 -4.098 1.00 0.00 C ATOM 544 CG GLN A 35 -0.220 -15.465 -4.122 1.00 0.00 C ATOM 545 CD GLN A 35 -0.438 -16.133 -2.775 1.00 0.00 C ATOM 546 OE1 GLN A 35 -1.413 -15.649 -2.021 1.00 0.00 O flip ATOM 547 NE2 GLN A 35 0.244 -17.101 -2.431 1.00 0.00 N flip ATOM 0 H GLN A 35 1.613 -13.593 -5.331 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.065 -13.922 -6.163 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.205 -13.479 -3.445 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.502 -13.813 -3.664 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.856 -15.944 -4.866 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.812 -15.621 -4.436 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.986 -17.444 -3.040 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.066 -17.559 -1.537 1.00 0.00 H new ATOM 556 N ALA A 36 -0.290 -10.972 -4.892 1.00 0.00 N ATOM 557 CA ALA A 36 -0.706 -9.576 -4.848 1.00 0.00 C ATOM 558 C ALA A 36 -0.984 -9.060 -6.257 1.00 0.00 C ATOM 559 O ALA A 36 -2.038 -8.488 -6.527 1.00 0.00 O ATOM 560 CB ALA A 36 0.369 -8.737 -4.175 1.00 0.00 C ATOM 0 H ALA A 36 0.627 -11.150 -4.483 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.626 -9.499 -4.268 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.052 -7.695 -4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.528 -9.097 -3.158 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.299 -8.817 -4.738 1.00 0.00 H new ATOM 566 N ARG A 37 -0.041 -9.312 -7.158 1.00 0.00 N ATOM 567 CA ARG A 37 -0.128 -8.843 -8.538 1.00 0.00 C ATOM 568 C ARG A 37 -1.295 -9.488 -9.281 1.00 0.00 C ATOM 569 O ARG A 37 -1.919 -8.856 -10.132 1.00 0.00 O ATOM 570 CB ARG A 37 1.185 -9.139 -9.264 1.00 0.00 C ATOM 571 CG ARG A 37 2.354 -8.306 -8.764 1.00 0.00 C ATOM 572 CD ARG A 37 3.665 -8.737 -9.394 1.00 0.00 C ATOM 573 NE ARG A 37 4.803 -8.021 -8.817 1.00 0.00 N ATOM 574 CZ ARG A 37 5.978 -8.587 -8.538 1.00 0.00 C ATOM 575 NH1 ARG A 37 6.194 -9.865 -8.828 1.00 0.00 N ATOM 576 NH2 ARG A 37 6.947 -7.868 -7.979 1.00 0.00 N ATOM 0 H ARG A 37 0.804 -9.846 -6.954 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.304 -7.768 -8.519 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.426 -10.196 -9.147 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.050 -8.959 -10.331 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.172 -7.255 -8.987 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.426 -8.394 -7.680 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.801 -9.809 -9.254 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.629 -8.558 -10.469 1.00 0.00 H new ATOM 0 HE ARG A 37 4.691 -7.027 -8.616 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.459 -10.420 -9.267 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.095 -10.292 -8.612 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.792 -6.883 -7.763 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.845 -8.301 -7.766 1.00 0.00 H new ATOM 590 N THR A 38 -1.590 -10.736 -8.950 1.00 0.00 N ATOM 591 CA THR A 38 -2.667 -11.466 -9.600 1.00 0.00 C ATOM 592 C THR A 38 -4.019 -10.830 -9.282 1.00 0.00 C ATOM 593 O THR A 38 -4.860 -10.675 -10.166 1.00 0.00 O ATOM 594 CB THR A 38 -2.667 -12.957 -9.191 1.00 0.00 C ATOM 595 OG1 THR A 38 -1.451 -13.583 -9.632 1.00 0.00 O ATOM 596 CG2 THR A 38 -3.862 -13.696 -9.782 1.00 0.00 C ATOM 0 H THR A 38 -1.096 -11.266 -8.232 1.00 0.00 H new ATOM 0 HA THR A 38 -2.498 -11.412 -10.675 1.00 0.00 H new ATOM 0 HB THR A 38 -2.737 -13.007 -8.104 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.731 -13.381 -8.999 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.831 -14.741 -9.475 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.785 -13.240 -9.425 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.825 -13.636 -10.870 1.00 0.00 H new ATOM 604 N ILE A 39 -4.212 -10.440 -8.025 1.00 0.00 N ATOM 605 CA ILE A 39 -5.439 -9.766 -7.618 1.00 0.00 C ATOM 606 C ILE A 39 -5.470 -8.347 -8.183 1.00 0.00 C ATOM 607 O ILE A 39 -6.492 -7.888 -8.698 1.00 0.00 O ATOM 608 CB ILE A 39 -5.574 -9.713 -6.078 1.00 0.00 C ATOM 609 CG1 ILE A 39 -5.547 -11.131 -5.495 1.00 0.00 C ATOM 610 CG2 ILE A 39 -6.857 -8.998 -5.679 1.00 0.00 C ATOM 611 CD1 ILE A 39 -5.594 -11.170 -3.981 1.00 0.00 C ATOM 0 H ILE A 39 -3.536 -10.579 -7.274 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.278 -10.338 -8.014 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.730 -9.154 -5.674 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.393 -11.693 -5.890 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.643 -11.636 -5.834 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.935 -8.970 -4.592 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.842 -7.980 -6.068 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.714 -9.531 -6.091 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.572 -12.206 -3.643 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.733 -10.637 -3.576 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.511 -10.695 -3.633 1.00 0.00 H new ATOM 623 N LEU A 40 -4.326 -7.674 -8.102 1.00 0.00 N ATOM 624 CA LEU A 40 -4.182 -6.305 -8.596 1.00 0.00 C ATOM 625 C LEU A 40 -4.525 -6.199 -10.080 1.00 0.00 C ATOM 626 O LEU A 40 -5.216 -5.271 -10.502 1.00 0.00 O ATOM 627 CB LEU A 40 -2.750 -5.815 -8.363 1.00 0.00 C ATOM 628 CG LEU A 40 -2.391 -5.517 -6.907 1.00 0.00 C ATOM 629 CD1 LEU A 40 -0.953 -5.040 -6.806 1.00 0.00 C ATOM 630 CD2 LEU A 40 -3.337 -4.483 -6.319 1.00 0.00 C ATOM 0 H LEU A 40 -3.474 -8.059 -7.694 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.883 -5.679 -8.044 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.059 -6.568 -8.744 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.592 -4.911 -8.951 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.494 -6.438 -6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.711 -4.832 -5.764 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.286 -5.814 -7.186 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.829 -4.132 -7.396 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.063 -4.287 -5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.269 -3.559 -6.894 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.359 -4.861 -6.359 1.00 0.00 H new ATOM 642 N MET A 41 -4.056 -7.165 -10.862 1.00 0.00 N ATOM 643 CA MET A 41 -4.224 -7.140 -12.313 1.00 0.00 C ATOM 644 C MET A 41 -5.685 -7.342 -12.714 1.00 0.00 C ATOM 645 O MET A 41 -6.082 -7.008 -13.831 1.00 0.00 O ATOM 646 CB MET A 41 -3.350 -8.214 -12.964 1.00 0.00 C ATOM 647 CG MET A 41 -3.244 -8.088 -14.477 1.00 0.00 C ATOM 648 SD MET A 41 -2.292 -9.429 -15.216 1.00 0.00 S ATOM 649 CE MET A 41 -3.329 -10.831 -14.806 1.00 0.00 C ATOM 0 H MET A 41 -3.553 -7.981 -10.514 1.00 0.00 H new ATOM 0 HA MET A 41 -3.913 -6.157 -12.666 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.350 -8.164 -12.534 1.00 0.00 H new ATOM 0 HB3 MET A 41 -3.754 -9.196 -12.718 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.245 -8.077 -14.908 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.778 -7.135 -14.727 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.130 -11.646 -15.502 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.111 -11.160 -13.790 1.00 0.00 H new ATOM 0 HE3 MET A 41 -4.377 -10.541 -14.876 1.00 0.00 H new ATOM 659 N GLN A 42 -6.493 -7.867 -11.797 1.00 0.00 N ATOM 660 CA GLN A 42 -7.896 -8.153 -12.092 1.00 0.00 C ATOM 661 C GLN A 42 -8.701 -6.866 -12.256 1.00 0.00 C ATOM 662 O GLN A 42 -9.871 -6.901 -12.633 1.00 0.00 O ATOM 663 CB GLN A 42 -8.515 -9.021 -11.000 1.00 0.00 C ATOM 664 CG GLN A 42 -7.806 -10.349 -10.821 1.00 0.00 C ATOM 665 CD GLN A 42 -7.730 -11.153 -12.105 1.00 0.00 C ATOM 666 OE1 GLN A 42 -8.630 -11.102 -12.947 1.00 0.00 O ATOM 667 NE2 GLN A 42 -6.643 -11.889 -12.268 1.00 0.00 N ATOM 0 H GLN A 42 -6.203 -8.102 -10.848 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.927 -8.700 -13.034 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.496 -8.476 -10.056 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.562 -9.205 -11.240 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.797 -10.170 -10.450 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.326 -10.934 -10.062 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.923 -11.902 -11.546 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.525 -12.443 -13.116 1.00 0.00 H new ATOM 676 N SER A 43 -8.064 -5.735 -11.983 1.00 0.00 N ATOM 677 CA SER A 43 -8.691 -4.430 -12.161 1.00 0.00 C ATOM 678 C SER A 43 -8.818 -4.089 -13.647 1.00 0.00 C ATOM 679 O SER A 43 -9.479 -3.117 -14.016 1.00 0.00 O ATOM 680 CB SER A 43 -7.868 -3.361 -11.440 1.00 0.00 C ATOM 681 OG SER A 43 -6.517 -3.385 -11.869 1.00 0.00 O ATOM 0 H SER A 43 -7.106 -5.695 -11.635 1.00 0.00 H new ATOM 0 HA SER A 43 -9.693 -4.461 -11.733 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.296 -2.377 -11.631 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.914 -3.526 -10.364 1.00 0.00 H new ATOM 0 HG SER A 43 -6.024 -4.063 -11.361 1.00 0.00 H new ATOM 687 N SER A 44 -8.165 -4.903 -14.482 1.00 0.00 N ATOM 688 CA SER A 44 -8.188 -4.740 -15.933 1.00 0.00 C ATOM 689 C SER A 44 -7.455 -3.467 -16.352 1.00 0.00 C ATOM 690 O SER A 44 -7.663 -2.941 -17.448 1.00 0.00 O ATOM 691 CB SER A 44 -9.631 -4.734 -16.446 1.00 0.00 C ATOM 692 OG SER A 44 -10.319 -5.900 -16.022 1.00 0.00 O ATOM 0 H SER A 44 -7.605 -5.695 -14.167 1.00 0.00 H new ATOM 0 HA SER A 44 -7.667 -5.586 -16.381 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.149 -3.847 -16.080 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.635 -4.679 -17.535 1.00 0.00 H new ATOM 0 HG SER A 44 -11.239 -5.877 -16.358 1.00 0.00 H new ATOM 698 N LEU A 45 -6.593 -2.982 -15.472 1.00 0.00 N ATOM 699 CA LEU A 45 -5.775 -1.820 -15.765 1.00 0.00 C ATOM 700 C LEU A 45 -4.512 -2.247 -16.501 1.00 0.00 C ATOM 701 O LEU A 45 -4.053 -3.379 -16.352 1.00 0.00 O ATOM 702 CB LEU A 45 -5.409 -1.084 -14.471 1.00 0.00 C ATOM 703 CG LEU A 45 -6.596 -0.549 -13.663 1.00 0.00 C ATOM 704 CD1 LEU A 45 -6.113 0.088 -12.370 1.00 0.00 C ATOM 705 CD2 LEU A 45 -7.401 0.450 -14.483 1.00 0.00 C ATOM 0 H LEU A 45 -6.443 -3.379 -14.545 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.344 -1.141 -16.400 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.835 -1.761 -13.838 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.755 -0.249 -14.720 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.247 -1.387 -13.414 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.968 0.463 -11.808 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.584 -0.655 -11.774 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.440 0.914 -12.600 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.239 0.817 -13.890 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.763 1.287 -14.766 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.779 -0.038 -15.382 1.00 0.00 H new ATOM 717 N PRO A 46 -3.961 -1.357 -17.334 1.00 0.00 N ATOM 718 CA PRO A 46 -2.703 -1.608 -18.037 1.00 0.00 C ATOM 719 C PRO A 46 -1.554 -1.849 -17.066 1.00 0.00 C ATOM 720 O PRO A 46 -1.513 -1.260 -15.981 1.00 0.00 O ATOM 721 CB PRO A 46 -2.455 -0.320 -18.829 1.00 0.00 C ATOM 722 CG PRO A 46 -3.778 0.362 -18.899 1.00 0.00 C ATOM 723 CD PRO A 46 -4.530 -0.045 -17.665 1.00 0.00 C ATOM 0 HA PRO A 46 -2.761 -2.498 -18.663 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.714 0.309 -18.335 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.073 -0.539 -19.826 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.655 1.444 -18.940 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.319 0.068 -19.798 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.388 0.670 -16.855 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.602 -0.108 -17.851 1.00 0.00 H new ATOM 731 N GLN A 47 -0.616 -2.699 -17.462 1.00 0.00 N ATOM 732 CA GLN A 47 0.540 -3.013 -16.631 1.00 0.00 C ATOM 733 C GLN A 47 1.324 -1.748 -16.299 1.00 0.00 C ATOM 734 O GLN A 47 1.986 -1.672 -15.269 1.00 0.00 O ATOM 735 CB GLN A 47 1.456 -4.024 -17.328 1.00 0.00 C ATOM 736 CG GLN A 47 0.751 -5.298 -17.783 1.00 0.00 C ATOM 737 CD GLN A 47 -0.056 -5.958 -16.683 1.00 0.00 C ATOM 738 OE1 GLN A 47 -1.244 -5.689 -16.524 1.00 0.00 O ATOM 739 NE2 GLN A 47 0.585 -6.822 -15.914 1.00 0.00 N ATOM 0 H GLN A 47 -0.633 -3.186 -18.358 1.00 0.00 H new ATOM 0 HA GLN A 47 0.174 -3.455 -15.704 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.913 -3.546 -18.194 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.265 -4.293 -16.649 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.091 -5.062 -18.618 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.494 -6.004 -18.154 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.572 -7.017 -16.080 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.092 -7.293 -15.155 1.00 0.00 H new ATOM 748 N ALA A 48 1.240 -0.753 -17.175 1.00 0.00 N ATOM 749 CA ALA A 48 1.877 0.537 -16.936 1.00 0.00 C ATOM 750 C ALA A 48 1.350 1.172 -15.654 1.00 0.00 C ATOM 751 O ALA A 48 2.123 1.563 -14.776 1.00 0.00 O ATOM 752 CB ALA A 48 1.649 1.469 -18.114 1.00 0.00 C ATOM 0 H ALA A 48 0.736 -0.815 -18.059 1.00 0.00 H new ATOM 0 HA ALA A 48 2.948 0.370 -16.823 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.131 2.427 -17.919 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.073 1.026 -19.015 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.579 1.623 -18.254 1.00 0.00 H new ATOM 758 N GLN A 49 0.029 1.248 -15.541 1.00 0.00 N ATOM 759 CA GLN A 49 -0.603 1.814 -14.362 1.00 0.00 C ATOM 760 C GLN A 49 -0.383 0.910 -13.157 1.00 0.00 C ATOM 761 O GLN A 49 -0.092 1.384 -12.062 1.00 0.00 O ATOM 762 CB GLN A 49 -2.100 2.027 -14.595 1.00 0.00 C ATOM 763 CG GLN A 49 -2.415 3.065 -15.660 1.00 0.00 C ATOM 764 CD GLN A 49 -3.893 3.389 -15.738 1.00 0.00 C ATOM 765 OE1 GLN A 49 -4.640 2.770 -16.492 1.00 0.00 O ATOM 766 NE2 GLN A 49 -4.324 4.366 -14.956 1.00 0.00 N ATOM 0 H GLN A 49 -0.624 0.923 -16.255 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.145 2.783 -14.164 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.552 1.078 -14.882 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.564 2.331 -13.657 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.857 3.977 -15.449 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.075 2.700 -16.629 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.671 4.855 -14.344 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.309 4.630 -14.965 1.00 0.00 H new ATOM 775 N LEU A 50 -0.498 -0.393 -13.372 1.00 0.00 N ATOM 776 CA LEU A 50 -0.310 -1.371 -12.312 1.00 0.00 C ATOM 777 C LEU A 50 1.102 -1.298 -11.731 1.00 0.00 C ATOM 778 O LEU A 50 1.288 -1.358 -10.514 1.00 0.00 O ATOM 779 CB LEU A 50 -0.601 -2.771 -12.850 1.00 0.00 C ATOM 780 CG LEU A 50 -2.071 -3.045 -13.174 1.00 0.00 C ATOM 781 CD1 LEU A 50 -2.245 -4.466 -13.686 1.00 0.00 C ATOM 782 CD2 LEU A 50 -2.938 -2.808 -11.947 1.00 0.00 C ATOM 0 H LEU A 50 -0.723 -0.799 -14.280 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.006 -1.145 -11.504 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.010 -2.927 -13.752 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.263 -3.503 -12.117 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.388 -2.356 -13.957 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.296 -4.645 -13.912 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.651 -4.602 -14.590 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.913 -5.171 -12.924 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.981 -3.007 -12.194 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.622 -3.474 -11.144 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.834 -1.773 -11.622 1.00 0.00 H new ATOM 794 N ALA A 51 2.093 -1.155 -12.602 1.00 0.00 N ATOM 795 CA ALA A 51 3.474 -1.014 -12.164 1.00 0.00 C ATOM 796 C ALA A 51 3.651 0.268 -11.366 1.00 0.00 C ATOM 797 O ALA A 51 4.361 0.292 -10.361 1.00 0.00 O ATOM 798 CB ALA A 51 4.424 -1.039 -13.355 1.00 0.00 C ATOM 0 H ALA A 51 1.966 -1.134 -13.614 1.00 0.00 H new ATOM 0 HA ALA A 51 3.716 -1.859 -11.519 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.450 -0.932 -13.004 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.318 -1.986 -13.885 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.184 -0.217 -14.029 1.00 0.00 H new ATOM 804 N SER A 52 2.993 1.332 -11.816 1.00 0.00 N ATOM 805 CA SER A 52 3.030 2.603 -11.111 1.00 0.00 C ATOM 806 C SER A 52 2.408 2.451 -9.724 1.00 0.00 C ATOM 807 O SER A 52 2.971 2.905 -8.731 1.00 0.00 O ATOM 808 CB SER A 52 2.288 3.682 -11.916 1.00 0.00 C ATOM 809 OG SER A 52 2.381 4.960 -11.302 1.00 0.00 O ATOM 0 H SER A 52 2.429 1.337 -12.666 1.00 0.00 H new ATOM 0 HA SER A 52 4.069 2.912 -10.997 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.702 3.732 -12.923 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.239 3.403 -12.016 1.00 0.00 H new ATOM 0 HG SER A 52 1.899 5.619 -11.844 1.00 0.00 H new ATOM 815 N ILE A 53 1.259 1.784 -9.668 1.00 0.00 N ATOM 816 CA ILE A 53 0.564 1.536 -8.407 1.00 0.00 C ATOM 817 C ILE A 53 1.424 0.698 -7.468 1.00 0.00 C ATOM 818 O ILE A 53 1.545 1.015 -6.288 1.00 0.00 O ATOM 819 CB ILE A 53 -0.790 0.828 -8.638 1.00 0.00 C ATOM 820 CG1 ILE A 53 -1.717 1.726 -9.459 1.00 0.00 C ATOM 821 CG2 ILE A 53 -1.440 0.462 -7.311 1.00 0.00 C ATOM 822 CD1 ILE A 53 -3.018 1.064 -9.860 1.00 0.00 C ATOM 0 H ILE A 53 0.786 1.403 -10.487 1.00 0.00 H new ATOM 0 HA ILE A 53 0.375 2.506 -7.948 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.611 -0.093 -9.192 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.940 2.624 -8.883 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.192 2.047 -10.359 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.392 -0.035 -7.497 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.783 -0.208 -6.757 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.611 1.367 -6.728 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.620 1.765 -10.439 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.806 0.182 -10.464 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.566 0.768 -8.966 1.00 0.00 H new ATOM 834 N TRP A 54 2.033 -0.354 -8.001 1.00 0.00 N ATOM 835 CA TRP A 54 2.910 -1.214 -7.211 1.00 0.00 C ATOM 836 C TRP A 54 4.070 -0.408 -6.642 1.00 0.00 C ATOM 837 O TRP A 54 4.354 -0.471 -5.449 1.00 0.00 O ATOM 838 CB TRP A 54 3.451 -2.366 -8.063 1.00 0.00 C ATOM 839 CG TRP A 54 4.318 -3.316 -7.293 1.00 0.00 C ATOM 840 CD1 TRP A 54 5.655 -3.181 -7.039 1.00 0.00 C ATOM 841 CD2 TRP A 54 3.914 -4.541 -6.672 1.00 0.00 C ATOM 842 NE1 TRP A 54 6.102 -4.243 -6.296 1.00 0.00 N ATOM 843 CE2 TRP A 54 5.054 -5.093 -6.057 1.00 0.00 C ATOM 844 CE3 TRP A 54 2.698 -5.223 -6.572 1.00 0.00 C ATOM 845 CZ2 TRP A 54 5.014 -6.295 -5.355 1.00 0.00 C ATOM 846 CZ3 TRP A 54 2.660 -6.418 -5.877 1.00 0.00 C ATOM 847 CH2 TRP A 54 3.811 -6.942 -5.275 1.00 0.00 C ATOM 0 H TRP A 54 1.937 -0.634 -8.977 1.00 0.00 H new ATOM 0 HA TRP A 54 2.326 -1.629 -6.390 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.613 -2.916 -8.492 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.023 -1.956 -8.895 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.269 -2.358 -7.375 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.060 -4.379 -5.973 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.805 -4.824 -7.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 5.900 -6.702 -4.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.727 -6.956 -5.797 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.748 -7.876 -4.737 1.00 0.00 H new ATOM 858 N ASN A 55 4.723 0.359 -7.509 1.00 0.00 N ATOM 859 CA ASN A 55 5.873 1.171 -7.117 1.00 0.00 C ATOM 860 C ASN A 55 5.469 2.213 -6.071 1.00 0.00 C ATOM 861 O ASN A 55 6.242 2.540 -5.168 1.00 0.00 O ATOM 862 CB ASN A 55 6.481 1.864 -8.347 1.00 0.00 C ATOM 863 CG ASN A 55 7.748 2.637 -8.026 1.00 0.00 C ATOM 864 OD1 ASN A 55 7.699 3.810 -7.653 1.00 0.00 O ATOM 865 ND2 ASN A 55 8.896 1.993 -8.193 1.00 0.00 N ATOM 0 H ASN A 55 4.474 0.436 -8.495 1.00 0.00 H new ATOM 0 HA ASN A 55 6.622 0.513 -6.677 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.702 1.115 -9.107 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.745 2.545 -8.775 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.779 2.470 -8.011 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.895 1.021 -8.503 1.00 0.00 H new ATOM 872 N LEU A 56 4.250 2.729 -6.207 1.00 0.00 N ATOM 873 CA LEU A 56 3.704 3.701 -5.265 1.00 0.00 C ATOM 874 C LEU A 56 3.324 3.047 -3.941 1.00 0.00 C ATOM 875 O LEU A 56 3.446 3.661 -2.881 1.00 0.00 O ATOM 876 CB LEU A 56 2.481 4.399 -5.869 1.00 0.00 C ATOM 877 CG LEU A 56 2.785 5.373 -7.007 1.00 0.00 C ATOM 878 CD1 LEU A 56 1.498 5.966 -7.554 1.00 0.00 C ATOM 879 CD2 LEU A 56 3.725 6.475 -6.540 1.00 0.00 C ATOM 0 H LEU A 56 3.616 2.487 -6.969 1.00 0.00 H new ATOM 0 HA LEU A 56 4.481 4.439 -5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.793 3.638 -6.237 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.963 4.940 -5.077 1.00 0.00 H new ATOM 0 HG LEU A 56 3.280 4.821 -7.806 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.731 6.658 -8.364 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.861 5.166 -7.932 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.977 6.500 -6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.927 7.156 -7.367 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.262 7.026 -5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.661 6.034 -6.197 1.00 0.00 H new ATOM 891 N SER A 57 2.864 1.809 -4.013 1.00 0.00 N ATOM 892 CA SER A 57 2.414 1.086 -2.837 1.00 0.00 C ATOM 893 C SER A 57 3.598 0.524 -2.053 1.00 0.00 C ATOM 894 O SER A 57 3.757 0.819 -0.873 1.00 0.00 O ATOM 895 CB SER A 57 1.466 -0.044 -3.252 1.00 0.00 C ATOM 896 OG SER A 57 0.931 -0.708 -2.124 1.00 0.00 O ATOM 0 H SER A 57 2.792 1.280 -4.882 1.00 0.00 H new ATOM 0 HA SER A 57 1.881 1.781 -2.188 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.655 0.363 -3.856 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.001 -0.759 -3.877 1.00 0.00 H new ATOM 0 HG SER A 57 0.896 -1.672 -2.298 1.00 0.00 H new ATOM 902 N ASP A 58 4.428 -0.270 -2.726 1.00 0.00 N ATOM 903 CA ASP A 58 5.563 -0.924 -2.082 1.00 0.00 C ATOM 904 C ASP A 58 6.614 0.121 -1.723 1.00 0.00 C ATOM 905 O ASP A 58 7.403 0.546 -2.575 1.00 0.00 O ATOM 906 CB ASP A 58 6.153 -1.990 -3.009 1.00 0.00 C ATOM 907 CG ASP A 58 7.045 -2.988 -2.292 1.00 0.00 C ATOM 908 OD1 ASP A 58 7.562 -2.675 -1.199 1.00 0.00 O ATOM 909 OD2 ASP A 58 7.248 -4.099 -2.832 1.00 0.00 O ATOM 0 H ASP A 58 4.334 -0.476 -3.721 1.00 0.00 H new ATOM 0 HA ASP A 58 5.229 -1.416 -1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.339 -2.527 -3.497 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.728 -1.500 -3.795 1.00 0.00 H new ATOM 914 N ILE A 59 6.589 0.538 -0.462 1.00 0.00 N ATOM 915 CA ILE A 59 7.408 1.647 0.034 1.00 0.00 C ATOM 916 C ILE A 59 8.886 1.502 -0.332 1.00 0.00 C ATOM 917 O ILE A 59 9.449 2.347 -1.033 1.00 0.00 O ATOM 918 CB ILE A 59 7.276 1.788 1.568 1.00 0.00 C ATOM 919 CG1 ILE A 59 5.805 1.962 1.967 1.00 0.00 C ATOM 920 CG2 ILE A 59 8.108 2.961 2.078 1.00 0.00 C ATOM 921 CD1 ILE A 59 5.145 3.195 1.380 1.00 0.00 C ATOM 0 H ILE A 59 5.997 0.115 0.253 1.00 0.00 H new ATOM 0 HA ILE A 59 7.028 2.544 -0.455 1.00 0.00 H new ATOM 0 HB ILE A 59 7.655 0.875 2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.248 1.080 1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.738 2.010 3.054 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.000 3.041 3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.157 2.799 1.829 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.763 3.883 1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.107 3.244 1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.675 4.086 1.716 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.177 3.142 0.292 1.00 0.00 H new ATOM 933 N ASP A 60 9.515 0.434 0.133 1.00 0.00 N ATOM 934 CA ASP A 60 10.946 0.250 -0.081 1.00 0.00 C ATOM 935 C ASP A 60 11.191 -0.827 -1.137 1.00 0.00 C ATOM 936 O ASP A 60 12.318 -1.285 -1.336 1.00 0.00 O ATOM 937 CB ASP A 60 11.634 -0.113 1.240 1.00 0.00 C ATOM 938 CG ASP A 60 13.148 -0.030 1.159 1.00 0.00 C ATOM 939 OD1 ASP A 60 13.678 1.068 0.870 1.00 0.00 O ATOM 940 OD2 ASP A 60 13.817 -1.059 1.386 1.00 0.00 O ATOM 0 H ASP A 60 9.063 -0.315 0.658 1.00 0.00 H new ATOM 0 HA ASP A 60 11.372 1.185 -0.445 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.280 0.556 2.024 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.345 -1.124 1.529 1.00 0.00 H new ATOM 945 N GLN A 61 10.115 -1.207 -1.823 1.00 0.00 N ATOM 946 CA GLN A 61 10.165 -2.218 -2.879 1.00 0.00 C ATOM 947 C GLN A 61 10.688 -3.548 -2.342 1.00 0.00 C ATOM 948 O GLN A 61 11.831 -3.940 -2.604 1.00 0.00 O ATOM 949 CB GLN A 61 11.010 -1.740 -4.065 1.00 0.00 C ATOM 950 CG GLN A 61 10.459 -0.494 -4.737 1.00 0.00 C ATOM 951 CD GLN A 61 11.316 -0.033 -5.898 1.00 0.00 C ATOM 952 OE1 GLN A 61 12.247 0.755 -5.724 1.00 0.00 O ATOM 953 NE2 GLN A 61 11.013 -0.514 -7.095 1.00 0.00 N ATOM 0 H GLN A 61 9.184 -0.823 -1.663 1.00 0.00 H new ATOM 0 HA GLN A 61 9.146 -2.374 -3.234 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.025 -1.539 -3.721 1.00 0.00 H new ATOM 0 HB3 GLN A 61 11.076 -2.541 -4.801 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.448 -0.694 -5.093 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.386 0.308 -4.003 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.235 -1.165 -7.201 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.558 -0.233 -7.910 1.00 0.00 H new ATOM 962 N ASP A 62 9.852 -4.227 -1.573 1.00 0.00 N ATOM 963 CA ASP A 62 10.209 -5.519 -1.002 1.00 0.00 C ATOM 964 C ASP A 62 9.671 -6.653 -1.860 1.00 0.00 C ATOM 965 O ASP A 62 10.349 -7.658 -2.075 1.00 0.00 O ATOM 966 CB ASP A 62 9.675 -5.650 0.425 1.00 0.00 C ATOM 967 CG ASP A 62 9.973 -7.008 1.030 1.00 0.00 C ATOM 968 OD1 ASP A 62 11.133 -7.250 1.425 1.00 0.00 O ATOM 969 OD2 ASP A 62 9.053 -7.843 1.113 1.00 0.00 O ATOM 0 H ASP A 62 8.916 -3.904 -1.328 1.00 0.00 H new ATOM 0 HA ASP A 62 11.297 -5.582 -0.975 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.117 -4.873 1.048 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.598 -5.484 0.424 1.00 0.00 H new ATOM 974 N GLY A 63 8.460 -6.478 -2.369 1.00 0.00 N ATOM 975 CA GLY A 63 7.854 -7.504 -3.196 1.00 0.00 C ATOM 976 C GLY A 63 6.721 -8.232 -2.498 1.00 0.00 C ATOM 977 O GLY A 63 6.197 -9.215 -3.020 1.00 0.00 O ATOM 0 H GLY A 63 7.887 -5.647 -2.225 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.477 -7.049 -4.112 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.617 -8.225 -3.489 1.00 0.00 H new ATOM 981 N LYS A 64 6.348 -7.760 -1.316 1.00 0.00 N ATOM 982 CA LYS A 64 5.241 -8.350 -0.572 1.00 0.00 C ATOM 983 C LYS A 64 4.299 -7.261 -0.097 1.00 0.00 C ATOM 984 O LYS A 64 4.726 -6.297 0.534 1.00 0.00 O ATOM 985 CB LYS A 64 5.744 -9.128 0.643 1.00 0.00 C ATOM 986 CG LYS A 64 6.826 -10.141 0.332 1.00 0.00 C ATOM 987 CD LYS A 64 7.454 -10.674 1.605 1.00 0.00 C ATOM 988 CE LYS A 64 8.776 -11.361 1.320 1.00 0.00 C ATOM 989 NZ LYS A 64 9.699 -10.468 0.566 1.00 0.00 N ATOM 0 H LYS A 64 6.795 -6.970 -0.851 1.00 0.00 H new ATOM 0 HA LYS A 64 4.720 -9.035 -1.240 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.126 -8.421 1.380 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.901 -9.644 1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.403 -10.966 -0.242 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.593 -9.680 -0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.611 -9.855 2.307 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.772 -11.377 2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.242 -11.660 2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.599 -12.271 0.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.678 -10.642 0.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.615 -10.662 -0.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.450 -9.475 0.751 1.00 0.00 H new ATOM 1003 N LEU A 65 3.024 -7.423 -0.390 1.00 0.00 N ATOM 1004 CA LEU A 65 2.027 -6.455 0.026 1.00 0.00 C ATOM 1005 C LEU A 65 1.369 -6.897 1.322 1.00 0.00 C ATOM 1006 O LEU A 65 0.729 -7.947 1.376 1.00 0.00 O ATOM 1007 CB LEU A 65 0.964 -6.263 -1.063 1.00 0.00 C ATOM 1008 CG LEU A 65 1.449 -5.565 -2.337 1.00 0.00 C ATOM 1009 CD1 LEU A 65 0.269 -5.191 -3.219 1.00 0.00 C ATOM 1010 CD2 LEU A 65 2.272 -4.330 -1.999 1.00 0.00 C ATOM 0 H LEU A 65 2.653 -8.215 -0.914 1.00 0.00 H new ATOM 0 HA LEU A 65 2.529 -5.502 0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.565 -7.240 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.139 -5.686 -0.644 1.00 0.00 H new ATOM 0 HG LEU A 65 2.087 -6.260 -2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.631 -4.696 -4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.279 -6.092 -3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.392 -4.517 -2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.605 -3.852 -2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.661 -3.631 -1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.140 -4.622 -1.407 1.00 0.00 H new ATOM 1022 N THR A 66 1.556 -6.109 2.371 1.00 0.00 N ATOM 1023 CA THR A 66 0.883 -6.351 3.636 1.00 0.00 C ATOM 1024 C THR A 66 -0.526 -5.775 3.574 1.00 0.00 C ATOM 1025 O THR A 66 -0.978 -5.359 2.508 1.00 0.00 O ATOM 1026 CB THR A 66 1.648 -5.711 4.812 1.00 0.00 C ATOM 1027 OG1 THR A 66 1.761 -4.300 4.612 1.00 0.00 O ATOM 1028 CG2 THR A 66 3.038 -6.313 4.954 1.00 0.00 C ATOM 0 H THR A 66 2.170 -5.295 2.369 1.00 0.00 H new ATOM 0 HA THR A 66 0.844 -7.427 3.803 1.00 0.00 H new ATOM 0 HB THR A 66 1.087 -5.910 5.725 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.652 -4.001 4.890 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.554 -5.843 5.791 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.954 -7.384 5.135 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.603 -6.144 4.038 1.00 0.00 H new ATOM 1036 N ALA A 67 -1.219 -5.741 4.701 1.00 0.00 N ATOM 1037 CA ALA A 67 -2.554 -5.168 4.734 1.00 0.00 C ATOM 1038 C ALA A 67 -2.483 -3.670 4.493 1.00 0.00 C ATOM 1039 O ALA A 67 -3.288 -3.108 3.751 1.00 0.00 O ATOM 1040 CB ALA A 67 -3.237 -5.470 6.059 1.00 0.00 C ATOM 0 H ALA A 67 -0.884 -6.099 5.595 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.148 -5.621 3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.235 -5.032 6.062 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.314 -6.549 6.191 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.652 -5.046 6.875 1.00 0.00 H new ATOM 1046 N GLU A 68 -1.496 -3.043 5.120 1.00 0.00 N ATOM 1047 CA GLU A 68 -1.258 -1.614 4.968 1.00 0.00 C ATOM 1048 C GLU A 68 -1.025 -1.267 3.500 1.00 0.00 C ATOM 1049 O GLU A 68 -1.620 -0.326 2.967 1.00 0.00 O ATOM 1050 CB GLU A 68 -0.038 -1.167 5.789 1.00 0.00 C ATOM 1051 CG GLU A 68 0.032 -1.746 7.198 1.00 0.00 C ATOM 1052 CD GLU A 68 0.584 -3.160 7.224 1.00 0.00 C ATOM 1053 OE1 GLU A 68 1.822 -3.322 7.194 1.00 0.00 O ATOM 1054 OE2 GLU A 68 -0.215 -4.118 7.267 1.00 0.00 O ATOM 0 H GLU A 68 -0.840 -3.509 5.746 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.142 -1.091 5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.867 -1.448 5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.043 -0.079 5.858 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.657 -1.105 7.819 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.965 -1.742 7.638 1.00 0.00 H new ATOM 1061 N GLU A 69 -0.178 -2.058 2.849 1.00 0.00 N ATOM 1062 CA GLU A 69 0.200 -1.810 1.464 1.00 0.00 C ATOM 1063 C GLU A 69 -0.977 -2.111 0.539 1.00 0.00 C ATOM 1064 O GLU A 69 -1.280 -1.343 -0.373 1.00 0.00 O ATOM 1065 CB GLU A 69 1.402 -2.681 1.077 1.00 0.00 C ATOM 1066 CG GLU A 69 2.589 -2.577 2.032 1.00 0.00 C ATOM 1067 CD GLU A 69 3.290 -1.230 1.979 1.00 0.00 C ATOM 1068 OE1 GLU A 69 2.694 -0.232 2.435 1.00 0.00 O ATOM 1069 OE2 GLU A 69 4.442 -1.176 1.489 1.00 0.00 O ATOM 0 H GLU A 69 0.261 -2.881 3.262 1.00 0.00 H new ATOM 0 HA GLU A 69 0.477 -0.761 1.360 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.081 -3.721 1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.731 -2.401 0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.244 -2.759 3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.307 -3.362 1.794 1.00 0.00 H new ATOM 1076 N PHE A 70 -1.652 -3.225 0.805 1.00 0.00 N ATOM 1077 CA PHE A 70 -2.782 -3.666 -0.010 1.00 0.00 C ATOM 1078 C PHE A 70 -3.872 -2.598 -0.066 1.00 0.00 C ATOM 1079 O PHE A 70 -4.389 -2.288 -1.142 1.00 0.00 O ATOM 1080 CB PHE A 70 -3.352 -4.976 0.548 1.00 0.00 C ATOM 1081 CG PHE A 70 -4.413 -5.600 -0.314 1.00 0.00 C ATOM 1082 CD1 PHE A 70 -5.717 -5.141 -0.265 1.00 0.00 C ATOM 1083 CD2 PHE A 70 -4.109 -6.653 -1.165 1.00 0.00 C ATOM 1084 CE1 PHE A 70 -6.694 -5.713 -1.046 1.00 0.00 C ATOM 1085 CE2 PHE A 70 -5.087 -7.231 -1.953 1.00 0.00 C ATOM 1086 CZ PHE A 70 -6.385 -6.760 -1.892 1.00 0.00 C ATOM 0 H PHE A 70 -1.434 -3.845 1.586 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.424 -3.835 -1.026 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.537 -5.689 0.676 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.768 -4.786 1.537 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.971 -4.324 0.394 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.096 -7.025 -1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.707 -5.342 -0.998 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.838 -8.048 -2.614 1.00 0.00 H new ATOM 0 HZ PHE A 70 -7.154 -7.209 -2.503 1.00 0.00 H new ATOM 1096 N ILE A 71 -4.217 -2.035 1.091 1.00 0.00 N ATOM 1097 CA ILE A 71 -5.247 -1.001 1.160 1.00 0.00 C ATOM 1098 C ILE A 71 -4.838 0.218 0.334 1.00 0.00 C ATOM 1099 O ILE A 71 -5.647 0.786 -0.403 1.00 0.00 O ATOM 1100 CB ILE A 71 -5.529 -0.571 2.619 1.00 0.00 C ATOM 1101 CG1 ILE A 71 -6.049 -1.760 3.431 1.00 0.00 C ATOM 1102 CG2 ILE A 71 -6.539 0.571 2.657 1.00 0.00 C ATOM 1103 CD1 ILE A 71 -6.302 -1.443 4.890 1.00 0.00 C ATOM 0 H ILE A 71 -3.800 -2.277 1.990 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.162 -1.427 0.748 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.595 -0.223 3.061 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.975 -2.117 2.981 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.328 -2.575 3.366 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.724 0.859 3.692 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.143 1.425 2.108 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.473 0.246 2.198 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.668 -2.335 5.398 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.374 -1.115 5.357 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.046 -0.650 4.966 1.00 0.00 H new ATOM 1115 N LEU A 72 -3.572 0.599 0.447 1.00 0.00 N ATOM 1116 CA LEU A 72 -3.040 1.723 -0.311 1.00 0.00 C ATOM 1117 C LEU A 72 -3.141 1.449 -1.810 1.00 0.00 C ATOM 1118 O LEU A 72 -3.659 2.272 -2.571 1.00 0.00 O ATOM 1119 CB LEU A 72 -1.583 1.987 0.081 1.00 0.00 C ATOM 1120 CG LEU A 72 -0.910 3.155 -0.642 1.00 0.00 C ATOM 1121 CD1 LEU A 72 -1.602 4.465 -0.305 1.00 0.00 C ATOM 1122 CD2 LEU A 72 0.565 3.218 -0.283 1.00 0.00 C ATOM 0 H LEU A 72 -2.893 0.145 1.058 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.631 2.609 -0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.541 2.174 1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.004 1.083 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.997 2.993 -1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.108 5.283 -0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.646 4.415 -0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.549 4.639 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.031 4.054 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.672 3.357 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.052 2.289 -0.579 1.00 0.00 H new ATOM 1134 N ALA A 73 -2.660 0.281 -2.218 1.00 0.00 N ATOM 1135 CA ALA A 73 -2.670 -0.122 -3.620 1.00 0.00 C ATOM 1136 C ALA A 73 -4.090 -0.171 -4.181 1.00 0.00 C ATOM 1137 O ALA A 73 -4.383 0.450 -5.199 1.00 0.00 O ATOM 1138 CB ALA A 73 -1.992 -1.477 -3.786 1.00 0.00 C ATOM 0 H ALA A 73 -2.253 -0.412 -1.589 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.114 0.628 -4.184 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.007 -1.765 -4.837 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.960 -1.412 -3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.524 -2.225 -3.197 1.00 0.00 H new ATOM 1144 N MET A 74 -4.975 -0.890 -3.506 1.00 0.00 N ATOM 1145 CA MET A 74 -6.338 -1.073 -3.993 1.00 0.00 C ATOM 1146 C MET A 74 -7.114 0.238 -4.002 1.00 0.00 C ATOM 1147 O MET A 74 -8.055 0.401 -4.779 1.00 0.00 O ATOM 1148 CB MET A 74 -7.077 -2.121 -3.168 1.00 0.00 C ATOM 1149 CG MET A 74 -6.616 -3.538 -3.455 1.00 0.00 C ATOM 1150 SD MET A 74 -6.905 -4.033 -5.165 1.00 0.00 S ATOM 1151 CE MET A 74 -8.695 -3.980 -5.243 1.00 0.00 C ATOM 0 H MET A 74 -4.776 -1.356 -2.621 1.00 0.00 H new ATOM 0 HA MET A 74 -6.267 -1.427 -5.022 1.00 0.00 H new ATOM 0 HB2 MET A 74 -6.936 -1.907 -2.109 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.146 -2.045 -3.369 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.552 -3.621 -3.232 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.136 -4.227 -2.789 1.00 0.00 H new ATOM 0 HE1 MET A 74 -9.039 -4.553 -6.104 1.00 0.00 H new ATOM 0 HE2 MET A 74 -9.112 -4.410 -4.332 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.024 -2.946 -5.340 1.00 0.00 H new ATOM 1161 N HIS A 75 -6.724 1.171 -3.144 1.00 0.00 N ATOM 1162 CA HIS A 75 -7.308 2.505 -3.164 1.00 0.00 C ATOM 1163 C HIS A 75 -6.911 3.222 -4.453 1.00 0.00 C ATOM 1164 O HIS A 75 -7.690 3.991 -5.011 1.00 0.00 O ATOM 1165 CB HIS A 75 -6.875 3.307 -1.930 1.00 0.00 C ATOM 1166 CG HIS A 75 -7.345 4.734 -1.924 1.00 0.00 C ATOM 1167 ND1 HIS A 75 -8.663 5.102 -1.748 1.00 0.00 N ATOM 1168 CD2 HIS A 75 -6.654 5.890 -2.068 1.00 0.00 C ATOM 1169 CE1 HIS A 75 -8.759 6.417 -1.784 1.00 0.00 C ATOM 1170 NE2 HIS A 75 -7.555 6.917 -1.974 1.00 0.00 N ATOM 0 H HIS A 75 -6.010 1.030 -2.429 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.394 2.417 -3.134 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -7.252 2.809 -1.037 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.787 3.295 -1.867 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -9.442 4.458 -1.611 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.590 5.984 -2.227 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -9.670 6.987 -1.676 1.00 0.00 H new ATOM 1179 N LEU A 76 -5.701 2.952 -4.925 1.00 0.00 N ATOM 1180 CA LEU A 76 -5.235 3.505 -6.189 1.00 0.00 C ATOM 1181 C LEU A 76 -5.976 2.852 -7.354 1.00 0.00 C ATOM 1182 O LEU A 76 -6.347 3.525 -8.316 1.00 0.00 O ATOM 1183 CB LEU A 76 -3.724 3.307 -6.340 1.00 0.00 C ATOM 1184 CG LEU A 76 -2.863 3.991 -5.270 1.00 0.00 C ATOM 1185 CD1 LEU A 76 -1.388 3.688 -5.493 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -3.104 5.494 -5.276 1.00 0.00 C ATOM 0 H LEU A 76 -5.025 2.353 -4.451 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.442 4.575 -6.197 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.511 2.238 -6.326 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.421 3.679 -7.319 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.150 3.597 -4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.795 4.182 -4.724 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.226 2.611 -5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.086 4.053 -6.475 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.486 5.965 -4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.844 5.900 -6.253 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.155 5.695 -5.067 1.00 0.00 H new ATOM 1198 N ILE A 77 -6.198 1.540 -7.259 1.00 0.00 N ATOM 1199 CA ILE A 77 -7.017 0.824 -8.237 1.00 0.00 C ATOM 1200 C ILE A 77 -8.424 1.423 -8.278 1.00 0.00 C ATOM 1201 O ILE A 77 -8.987 1.640 -9.349 1.00 0.00 O ATOM 1202 CB ILE A 77 -7.105 -0.702 -7.927 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -5.898 -1.463 -8.493 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -8.390 -1.309 -8.472 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -4.611 -1.241 -7.740 1.00 0.00 C ATOM 0 H ILE A 77 -5.822 0.952 -6.515 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.536 0.937 -9.209 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.103 -0.800 -6.841 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.124 -2.529 -8.494 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.752 -1.167 -9.532 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -8.418 -2.373 -8.238 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.248 -0.815 -8.016 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -8.426 -1.174 -9.553 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.812 -1.816 -8.208 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.356 -0.182 -7.760 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.734 -1.565 -6.706 1.00 0.00 H new ATOM 1217 N ASP A 78 -8.962 1.710 -7.098 1.00 0.00 N ATOM 1218 CA ASP A 78 -10.296 2.296 -6.965 1.00 0.00 C ATOM 1219 C ASP A 78 -10.400 3.610 -7.736 1.00 0.00 C ATOM 1220 O ASP A 78 -11.399 3.873 -8.406 1.00 0.00 O ATOM 1221 CB ASP A 78 -10.610 2.519 -5.485 1.00 0.00 C ATOM 1222 CG ASP A 78 -11.945 3.197 -5.258 1.00 0.00 C ATOM 1223 OD1 ASP A 78 -12.994 2.541 -5.436 1.00 0.00 O ATOM 1224 OD2 ASP A 78 -11.954 4.384 -4.879 1.00 0.00 O ATOM 0 H ASP A 78 -8.490 1.545 -6.209 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.024 1.605 -7.389 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.604 1.559 -4.970 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.821 3.125 -5.039 1.00 0.00 H new ATOM 1229 N VAL A 79 -9.354 4.420 -7.649 1.00 0.00 N ATOM 1230 CA VAL A 79 -9.309 5.688 -8.361 1.00 0.00 C ATOM 1231 C VAL A 79 -9.087 5.467 -9.859 1.00 0.00 C ATOM 1232 O VAL A 79 -9.841 5.975 -10.694 1.00 0.00 O ATOM 1233 CB VAL A 79 -8.188 6.598 -7.814 1.00 0.00 C ATOM 1234 CG1 VAL A 79 -8.156 7.922 -8.555 1.00 0.00 C ATOM 1235 CG2 VAL A 79 -8.363 6.826 -6.322 1.00 0.00 C ATOM 0 H VAL A 79 -8.524 4.220 -7.091 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.271 6.176 -8.206 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.235 6.095 -7.976 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.358 8.546 -8.152 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.975 7.742 -9.615 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.112 8.431 -8.432 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.563 7.470 -5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.326 7.303 -6.137 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.326 5.869 -5.801 1.00 0.00 H new ATOM 1245 N ALA A 80 -8.066 4.681 -10.190 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.675 4.455 -11.580 1.00 0.00 C ATOM 1247 C ALA A 80 -8.782 3.769 -12.376 1.00 0.00 C ATOM 1248 O ALA A 80 -8.889 3.960 -13.585 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.391 3.640 -11.643 1.00 0.00 C ATOM 0 H ALA A 80 -7.490 4.186 -9.509 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.500 5.430 -12.036 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.112 3.480 -12.685 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.593 4.179 -11.133 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.547 2.677 -11.157 1.00 0.00 H new ATOM 1255 N MET A 81 -9.602 2.976 -11.691 1.00 0.00 N ATOM 1256 CA MET A 81 -10.719 2.283 -12.305 1.00 0.00 C ATOM 1257 C MET A 81 -11.655 3.249 -13.028 1.00 0.00 C ATOM 1258 O MET A 81 -12.260 2.902 -14.041 1.00 0.00 O ATOM 1259 CB MET A 81 -11.472 1.538 -11.211 1.00 0.00 C ATOM 1260 CG MET A 81 -12.204 0.306 -11.685 1.00 0.00 C ATOM 1261 SD MET A 81 -13.804 0.666 -12.446 1.00 0.00 S ATOM 1262 CE MET A 81 -14.329 -0.978 -12.923 1.00 0.00 C ATOM 0 H MET A 81 -9.506 2.799 -10.691 1.00 0.00 H new ATOM 0 HA MET A 81 -10.341 1.587 -13.054 1.00 0.00 H new ATOM 0 HB2 MET A 81 -10.766 1.249 -10.433 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.190 2.218 -10.753 1.00 0.00 H new ATOM 0 HG2 MET A 81 -11.579 -0.224 -12.404 1.00 0.00 H new ATOM 0 HG3 MET A 81 -12.355 -0.365 -10.839 1.00 0.00 H new ATOM 0 HE1 MET A 81 -15.304 -0.922 -13.408 1.00 0.00 H new ATOM 0 HE2 MET A 81 -13.603 -1.405 -13.615 1.00 0.00 H new ATOM 0 HE3 MET A 81 -14.400 -1.609 -12.037 1.00 0.00 H new ATOM 1272 N SER A 82 -11.749 4.470 -12.521 1.00 0.00 N ATOM 1273 CA SER A 82 -12.626 5.469 -13.111 1.00 0.00 C ATOM 1274 C SER A 82 -11.989 6.088 -14.356 1.00 0.00 C ATOM 1275 O SER A 82 -12.605 6.906 -15.037 1.00 0.00 O ATOM 1276 CB SER A 82 -12.952 6.555 -12.080 1.00 0.00 C ATOM 1277 OG SER A 82 -13.959 7.432 -12.557 1.00 0.00 O ATOM 0 H SER A 82 -11.230 4.791 -11.704 1.00 0.00 H new ATOM 0 HA SER A 82 -13.552 4.980 -13.414 1.00 0.00 H new ATOM 0 HB2 SER A 82 -13.282 6.090 -11.151 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.051 7.123 -11.850 1.00 0.00 H new ATOM 0 HG SER A 82 -13.816 7.606 -13.511 1.00 0.00 H new ATOM 1283 N GLY A 83 -10.763 5.679 -14.663 1.00 0.00 N ATOM 1284 CA GLY A 83 -10.063 6.222 -15.812 1.00 0.00 C ATOM 1285 C GLY A 83 -9.236 7.434 -15.447 1.00 0.00 C ATOM 1286 O GLY A 83 -8.923 8.266 -16.300 1.00 0.00 O ATOM 0 H GLY A 83 -10.241 4.980 -14.135 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.416 5.456 -16.238 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.785 6.494 -16.582 1.00 0.00 H new ATOM 1290 N GLN A 84 -8.876 7.522 -14.176 1.00 0.00 N ATOM 1291 CA GLN A 84 -8.128 8.654 -13.656 1.00 0.00 C ATOM 1292 C GLN A 84 -6.628 8.438 -13.834 1.00 0.00 C ATOM 1293 O GLN A 84 -6.149 7.302 -13.789 1.00 0.00 O ATOM 1294 CB GLN A 84 -8.443 8.833 -12.169 1.00 0.00 C ATOM 1295 CG GLN A 84 -9.923 9.001 -11.874 1.00 0.00 C ATOM 1296 CD GLN A 84 -10.494 10.281 -12.445 1.00 0.00 C ATOM 1297 OE1 GLN A 84 -10.937 10.320 -13.592 1.00 0.00 O ATOM 1298 NE2 GLN A 84 -10.494 11.334 -11.645 1.00 0.00 N ATOM 0 H GLN A 84 -9.094 6.811 -13.477 1.00 0.00 H new ATOM 0 HA GLN A 84 -8.420 9.547 -14.208 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -8.068 7.969 -11.621 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -7.906 9.705 -11.795 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.469 8.151 -12.283 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -10.077 8.989 -10.795 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -10.116 11.257 -10.701 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.872 12.223 -11.972 1.00 0.00 H new ATOM 1307 N PRO A 85 -5.873 9.521 -14.066 1.00 0.00 N ATOM 1308 CA PRO A 85 -4.412 9.467 -14.116 1.00 0.00 C ATOM 1309 C PRO A 85 -3.810 9.327 -12.717 1.00 0.00 C ATOM 1310 O PRO A 85 -4.409 9.759 -11.730 1.00 0.00 O ATOM 1311 CB PRO A 85 -4.028 10.808 -14.739 1.00 0.00 C ATOM 1312 CG PRO A 85 -5.141 11.728 -14.378 1.00 0.00 C ATOM 1313 CD PRO A 85 -6.386 10.883 -14.311 1.00 0.00 C ATOM 0 HA PRO A 85 -4.044 8.610 -14.679 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -3.076 11.167 -14.349 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.918 10.725 -15.820 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -4.949 12.213 -13.421 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -5.248 12.519 -15.121 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -7.050 11.211 -13.511 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -6.956 10.935 -15.239 1.00 0.00 H new ATOM 1321 N LEU A 86 -2.637 8.724 -12.628 1.00 0.00 N ATOM 1322 CA LEU A 86 -1.997 8.508 -11.340 1.00 0.00 C ATOM 1323 C LEU A 86 -0.758 9.385 -11.197 1.00 0.00 C ATOM 1324 O LEU A 86 -0.043 9.624 -12.171 1.00 0.00 O ATOM 1325 CB LEU A 86 -1.624 7.032 -11.186 1.00 0.00 C ATOM 1326 CG LEU A 86 -2.799 6.054 -11.258 1.00 0.00 C ATOM 1327 CD1 LEU A 86 -2.295 4.622 -11.230 1.00 0.00 C ATOM 1328 CD2 LEU A 86 -3.773 6.299 -10.111 1.00 0.00 C ATOM 0 H LEU A 86 -2.109 8.376 -13.429 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.699 8.782 -10.553 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.907 6.772 -11.964 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.119 6.899 -10.229 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.328 6.219 -12.197 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.141 3.937 -11.282 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.637 4.451 -12.082 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.744 4.448 -10.306 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.601 5.594 -10.180 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.258 6.162 -9.160 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.158 7.317 -10.171 1.00 0.00 H new ATOM 1340 N PRO A 87 -0.496 9.881 -9.981 1.00 0.00 N ATOM 1341 CA PRO A 87 0.669 10.725 -9.698 1.00 0.00 C ATOM 1342 C PRO A 87 1.983 9.951 -9.797 1.00 0.00 C ATOM 1343 O PRO A 87 2.006 8.731 -9.641 1.00 0.00 O ATOM 1344 CB PRO A 87 0.438 11.199 -8.255 1.00 0.00 C ATOM 1345 CG PRO A 87 -0.984 10.867 -7.945 1.00 0.00 C ATOM 1346 CD PRO A 87 -1.317 9.670 -8.782 1.00 0.00 C ATOM 0 HA PRO A 87 0.759 11.540 -10.416 1.00 0.00 H new ATOM 0 HB2 PRO A 87 1.117 10.698 -7.565 1.00 0.00 H new ATOM 0 HB3 PRO A 87 0.620 12.270 -8.160 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -1.112 10.650 -6.885 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.641 11.704 -8.181 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.064 8.738 -8.276 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.380 9.625 -9.021 1.00 0.00 H new ATOM 1354 N PRO A 88 3.094 10.655 -10.075 1.00 0.00 N ATOM 1355 CA PRO A 88 4.419 10.035 -10.165 1.00 0.00 C ATOM 1356 C PRO A 88 4.931 9.570 -8.808 1.00 0.00 C ATOM 1357 O PRO A 88 5.595 8.540 -8.701 1.00 0.00 O ATOM 1358 CB PRO A 88 5.299 11.159 -10.712 1.00 0.00 C ATOM 1359 CG PRO A 88 4.605 12.418 -10.319 1.00 0.00 C ATOM 1360 CD PRO A 88 3.137 12.106 -10.339 1.00 0.00 C ATOM 0 HA PRO A 88 4.411 9.141 -10.788 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.304 11.114 -10.291 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.403 11.087 -11.795 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.921 12.744 -9.328 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.841 13.226 -11.011 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.596 12.669 -9.579 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.686 12.353 -11.300 1.00 0.00 H new ATOM 1368 N VAL A 89 4.619 10.345 -7.780 1.00 0.00 N ATOM 1369 CA VAL A 89 5.003 10.021 -6.419 1.00 0.00 C ATOM 1370 C VAL A 89 3.787 10.096 -5.510 1.00 0.00 C ATOM 1371 O VAL A 89 2.744 10.618 -5.908 1.00 0.00 O ATOM 1372 CB VAL A 89 6.098 10.972 -5.881 1.00 0.00 C ATOM 1373 CG1 VAL A 89 7.408 10.776 -6.636 1.00 0.00 C ATOM 1374 CG2 VAL A 89 5.637 12.426 -5.956 1.00 0.00 C ATOM 0 H VAL A 89 4.093 11.215 -7.868 1.00 0.00 H new ATOM 0 HA VAL A 89 5.410 9.010 -6.428 1.00 0.00 H new ATOM 0 HB VAL A 89 6.275 10.727 -4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 89 8.162 11.456 -6.239 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.747 9.747 -6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.253 10.984 -7.695 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.423 13.077 -5.573 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.423 12.687 -6.992 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.736 12.553 -5.357 1.00 0.00 H new ATOM 1384 N LEU A 90 3.913 9.575 -4.303 1.00 0.00 N ATOM 1385 CA LEU A 90 2.814 9.597 -3.355 1.00 0.00 C ATOM 1386 C LEU A 90 3.030 10.728 -2.351 1.00 0.00 C ATOM 1387 O LEU A 90 4.162 10.994 -1.948 1.00 0.00 O ATOM 1388 CB LEU A 90 2.738 8.245 -2.634 1.00 0.00 C ATOM 1389 CG LEU A 90 1.419 7.941 -1.927 1.00 0.00 C ATOM 1390 CD1 LEU A 90 0.307 7.740 -2.945 1.00 0.00 C ATOM 1391 CD2 LEU A 90 1.565 6.717 -1.039 1.00 0.00 C ATOM 0 H LEU A 90 4.764 9.132 -3.956 1.00 0.00 H new ATOM 0 HA LEU A 90 1.874 9.770 -3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.929 7.456 -3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.541 8.201 -1.898 1.00 0.00 H new ATOM 0 HG LEU A 90 1.156 8.791 -1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.627 7.524 -2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.190 8.646 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.559 6.906 -3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.617 6.513 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.848 5.858 -1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.335 6.901 -0.290 1.00 0.00 H new ATOM 1403 N PRO A 91 1.959 11.424 -1.946 1.00 0.00 N ATOM 1404 CA PRO A 91 2.057 12.485 -0.944 1.00 0.00 C ATOM 1405 C PRO A 91 2.284 11.930 0.464 1.00 0.00 C ATOM 1406 O PRO A 91 1.894 10.799 0.765 1.00 0.00 O ATOM 1407 CB PRO A 91 0.704 13.194 -1.046 1.00 0.00 C ATOM 1408 CG PRO A 91 -0.230 12.170 -1.585 1.00 0.00 C ATOM 1409 CD PRO A 91 0.589 11.264 -2.463 1.00 0.00 C ATOM 0 HA PRO A 91 2.905 13.146 -1.122 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.374 13.555 -0.072 1.00 0.00 H new ATOM 0 HB3 PRO A 91 0.762 14.061 -1.705 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -0.698 11.608 -0.777 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -1.033 12.639 -2.154 1.00 0.00 H new ATOM 0 HD2 PRO A 91 0.253 10.229 -2.395 1.00 0.00 H new ATOM 0 HD3 PRO A 91 0.520 11.553 -3.512 1.00 0.00 H new ATOM 1417 N PRO A 92 2.911 12.729 1.347 1.00 0.00 N ATOM 1418 CA PRO A 92 3.299 12.295 2.700 1.00 0.00 C ATOM 1419 C PRO A 92 2.130 11.805 3.557 1.00 0.00 C ATOM 1420 O PRO A 92 2.297 10.908 4.384 1.00 0.00 O ATOM 1421 CB PRO A 92 3.915 13.554 3.321 1.00 0.00 C ATOM 1422 CG PRO A 92 4.331 14.389 2.160 1.00 0.00 C ATOM 1423 CD PRO A 92 3.317 14.123 1.088 1.00 0.00 C ATOM 0 HA PRO A 92 3.972 11.439 2.650 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.194 14.079 3.947 1.00 0.00 H new ATOM 0 HB3 PRO A 92 4.766 13.306 3.955 1.00 0.00 H new ATOM 0 HG2 PRO A 92 4.353 15.446 2.425 1.00 0.00 H new ATOM 0 HG3 PRO A 92 5.334 14.123 1.826 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.471 14.808 1.155 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.744 14.240 0.092 1.00 0.00 H new ATOM 1431 N GLU A 93 0.953 12.388 3.375 1.00 0.00 N ATOM 1432 CA GLU A 93 -0.214 11.983 4.153 1.00 0.00 C ATOM 1433 C GLU A 93 -0.845 10.714 3.590 1.00 0.00 C ATOM 1434 O GLU A 93 -1.687 10.094 4.232 1.00 0.00 O ATOM 1435 CB GLU A 93 -1.255 13.096 4.256 1.00 0.00 C ATOM 1436 CG GLU A 93 -1.664 13.693 2.931 1.00 0.00 C ATOM 1437 CD GLU A 93 -0.718 14.776 2.463 1.00 0.00 C ATOM 1438 OE1 GLU A 93 -0.928 15.950 2.830 1.00 0.00 O ATOM 1439 OE2 GLU A 93 0.238 14.460 1.732 1.00 0.00 O ATOM 0 H GLU A 93 0.780 13.136 2.703 1.00 0.00 H new ATOM 0 HA GLU A 93 0.143 11.773 5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.142 12.702 4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -0.860 13.889 4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.708 12.905 2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.669 14.106 3.018 1.00 0.00 H new ATOM 1446 N TYR A 94 -0.452 10.336 2.384 1.00 0.00 N ATOM 1447 CA TYR A 94 -0.957 9.113 1.772 1.00 0.00 C ATOM 1448 C TYR A 94 -0.071 7.925 2.132 1.00 0.00 C ATOM 1449 O TYR A 94 -0.418 6.776 1.856 1.00 0.00 O ATOM 1450 CB TYR A 94 -1.035 9.263 0.255 1.00 0.00 C ATOM 1451 CG TYR A 94 -2.445 9.299 -0.289 1.00 0.00 C ATOM 1452 CD1 TYR A 94 -3.145 8.123 -0.515 1.00 0.00 C ATOM 1453 CD2 TYR A 94 -3.071 10.503 -0.587 1.00 0.00 C ATOM 1454 CE1 TYR A 94 -4.427 8.145 -1.023 1.00 0.00 C ATOM 1455 CE2 TYR A 94 -4.357 10.532 -1.095 1.00 0.00 C ATOM 1456 CZ TYR A 94 -5.031 9.349 -1.312 1.00 0.00 C ATOM 1457 OH TYR A 94 -6.311 9.371 -1.818 1.00 0.00 O ATOM 0 H TYR A 94 0.212 10.855 1.810 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.960 8.932 2.159 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -0.521 10.179 -0.036 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.499 8.436 -0.209 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.679 7.175 -0.290 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.545 11.431 -0.419 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.957 7.220 -1.194 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.831 11.476 -1.320 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.576 8.464 -2.076 1.00 0.00 H new ATOM 1467 N ILE A 95 1.067 8.210 2.748 1.00 0.00 N ATOM 1468 CA ILE A 95 1.989 7.171 3.176 1.00 0.00 C ATOM 1469 C ILE A 95 1.480 6.524 4.460 1.00 0.00 C ATOM 1470 O ILE A 95 1.182 7.220 5.433 1.00 0.00 O ATOM 1471 CB ILE A 95 3.408 7.741 3.406 1.00 0.00 C ATOM 1472 CG1 ILE A 95 3.904 8.444 2.141 1.00 0.00 C ATOM 1473 CG2 ILE A 95 4.367 6.631 3.813 1.00 0.00 C ATOM 1474 CD1 ILE A 95 5.276 9.070 2.284 1.00 0.00 C ATOM 0 H ILE A 95 1.374 9.159 2.963 1.00 0.00 H new ATOM 0 HA ILE A 95 2.046 6.423 2.386 1.00 0.00 H new ATOM 0 HB ILE A 95 3.366 8.470 4.215 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.927 7.724 1.323 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.189 9.219 1.864 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.361 7.049 3.971 1.00 0.00 H new ATOM 0 HG22 ILE A 95 4.017 6.168 4.736 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.410 5.880 3.024 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.557 9.549 1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.255 9.815 3.079 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.005 8.297 2.530 1.00 0.00 H new ATOM 1486 N PRO A 96 1.350 5.187 4.475 1.00 0.00 N ATOM 1487 CA PRO A 96 0.829 4.454 5.634 1.00 0.00 C ATOM 1488 C PRO A 96 1.722 4.587 6.870 1.00 0.00 C ATOM 1489 O PRO A 96 2.933 4.809 6.756 1.00 0.00 O ATOM 1490 CB PRO A 96 0.795 2.993 5.156 1.00 0.00 C ATOM 1491 CG PRO A 96 0.883 3.061 3.670 1.00 0.00 C ATOM 1492 CD PRO A 96 1.696 4.284 3.366 1.00 0.00 C ATOM 0 HA PRO A 96 -0.142 4.839 5.945 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.626 2.424 5.573 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.122 2.497 5.473 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.356 2.166 3.265 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.108 3.129 3.222 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.763 4.065 3.341 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.436 4.713 2.398 1.00 0.00 H new ATOM 1500 N PRO A 97 1.128 4.445 8.072 1.00 0.00 N ATOM 1501 CA PRO A 97 1.862 4.493 9.345 1.00 0.00 C ATOM 1502 C PRO A 97 3.018 3.498 9.380 1.00 0.00 C ATOM 1503 O PRO A 97 3.021 2.517 8.631 1.00 0.00 O ATOM 1504 CB PRO A 97 0.802 4.116 10.382 1.00 0.00 C ATOM 1505 CG PRO A 97 -0.491 4.491 9.752 1.00 0.00 C ATOM 1506 CD PRO A 97 -0.315 4.231 8.282 1.00 0.00 C ATOM 0 HA PRO A 97 2.317 5.468 9.518 1.00 0.00 H new ATOM 0 HB2 PRO A 97 0.836 3.051 10.614 1.00 0.00 H new ATOM 0 HB3 PRO A 97 0.956 4.651 11.319 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.311 3.900 10.159 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.729 5.538 9.939 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -0.615 3.218 8.014 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -0.915 4.912 7.678 1.00 0.00 H new ATOM 1514 N SER A 98 4.000 3.775 10.240 1.00 0.00 N ATOM 1515 CA SER A 98 5.215 2.964 10.370 1.00 0.00 C ATOM 1516 C SER A 98 6.175 3.217 9.206 1.00 0.00 C ATOM 1517 O SER A 98 7.394 3.229 9.387 1.00 0.00 O ATOM 1518 CB SER A 98 4.887 1.465 10.475 1.00 0.00 C ATOM 1519 OG SER A 98 3.937 1.215 11.498 1.00 0.00 O ATOM 0 H SER A 98 3.975 4.575 10.872 1.00 0.00 H new ATOM 0 HA SER A 98 5.705 3.267 11.295 1.00 0.00 H new ATOM 0 HB2 SER A 98 4.499 1.108 9.521 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.799 0.904 10.678 1.00 0.00 H new ATOM 0 HG SER A 98 3.747 0.255 11.540 1.00 0.00 H new ATOM 1525 N PHE A 99 5.625 3.436 8.016 1.00 0.00 N ATOM 1526 CA PHE A 99 6.434 3.680 6.826 1.00 0.00 C ATOM 1527 C PHE A 99 6.771 5.160 6.680 1.00 0.00 C ATOM 1528 O PHE A 99 7.677 5.524 5.933 1.00 0.00 O ATOM 1529 CB PHE A 99 5.706 3.203 5.570 1.00 0.00 C ATOM 1530 CG PHE A 99 5.374 1.741 5.575 1.00 0.00 C ATOM 1531 CD1 PHE A 99 6.357 0.791 5.349 1.00 0.00 C ATOM 1532 CD2 PHE A 99 4.075 1.317 5.799 1.00 0.00 C ATOM 1533 CE1 PHE A 99 6.048 -0.556 5.347 1.00 0.00 C ATOM 1534 CE2 PHE A 99 3.759 -0.026 5.796 1.00 0.00 C ATOM 1535 CZ PHE A 99 4.747 -0.964 5.570 1.00 0.00 C ATOM 0 H PHE A 99 4.619 3.450 7.849 1.00 0.00 H new ATOM 0 HA PHE A 99 7.361 3.118 6.943 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.784 3.774 5.458 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.324 3.422 4.699 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.375 1.106 5.173 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.299 2.047 5.978 1.00 0.00 H new ATOM 0 HE1 PHE A 99 6.822 -1.288 5.171 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.741 -0.343 5.970 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.503 -2.016 5.568 1.00 0.00 H new ATOM 1545 N ARG A 100 6.043 6.005 7.403 1.00 0.00 N ATOM 1546 CA ARG A 100 6.231 7.453 7.313 1.00 0.00 C ATOM 1547 C ARG A 100 7.573 7.864 7.908 1.00 0.00 C ATOM 1548 O ARG A 100 8.078 8.958 7.642 1.00 0.00 O ATOM 1549 CB ARG A 100 5.094 8.195 8.020 1.00 0.00 C ATOM 1550 CG ARG A 100 3.718 7.766 7.551 1.00 0.00 C ATOM 1551 CD ARG A 100 2.628 8.643 8.140 1.00 0.00 C ATOM 1552 NE ARG A 100 2.563 9.953 7.497 1.00 0.00 N ATOM 1553 CZ ARG A 100 1.933 11.007 8.019 1.00 0.00 C ATOM 1554 NH1 ARG A 100 1.423 10.942 9.247 1.00 0.00 N ATOM 1555 NH2 ARG A 100 1.842 12.132 7.320 1.00 0.00 N ATOM 0 H ARG A 100 5.317 5.714 8.058 1.00 0.00 H new ATOM 0 HA ARG A 100 6.221 7.725 6.258 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.173 8.028 9.094 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.210 9.266 7.854 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.674 7.811 6.463 1.00 0.00 H new ATOM 0 HG3 ARG A 100 3.544 6.728 7.835 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.666 8.142 8.036 1.00 0.00 H new ATOM 0 HD3 ARG A 100 2.806 8.773 9.207 1.00 0.00 H new ATOM 0 HE ARG A 100 3.027 10.069 6.596 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.513 10.085 9.792 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.942 11.750 9.643 1.00 0.00 H new ATOM 0 HH21 ARG A 100 2.253 12.188 6.388 1.00 0.00 H new ATOM 0 HH22 ARG A 100 1.361 12.940 7.715 1.00 0.00 H new