USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 905 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 95 GLN :FLIP amide:sc= -1.44 F(o=-8.4,f=-7.2) USER MOD Set 1.2: A 96 GLN : amide:sc= -5.75! C(o=-7.2!,f=-9.3!) USER MOD Set 2.1: A 82 THR OG1 : rot -170:sc= -0.0456 USER MOD Set 2.2: A 104 LYS NZ :NH3+ -129:sc= 0.222 (180deg=0.154) USER MOD Set 3.1: A 60 MET CE :methyl 154:sc= -0.181 (180deg=-0.827) USER MOD Set 3.2: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -56:sc= -2.93! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 73:sc= -0.709 USER MOD Single : A 35 ASN : amide:sc= -6.54! C(o=-6.5!,f=-9.1!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.99 F(o=-3.8!,f=-0.99) USER MOD Single : A 45 SER OG : rot 4:sc= 0.98 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 46:sc= 0.396 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.561 F(o=-1.9,f=-0.56) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -5.41! C(o=-6!,f=-5.4!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 171:sc= -13.9! (180deg=-14.2!) USER MOD Single : A 84 HIS : no HD1:sc= -0.845 K(o=-0.85,f=-1.5) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 56:sc= -0.0941 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 20:sc= -5.1! USER MOD Single : A 120 SER OG : rot 86:sc= 0.265 USER MOD Single : A 121 HIS : no HE2:sc= 0.344 K(o=0.34,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 4 9.526 -10.367 -4.152 1.00 0.00 N ATOM 62 CA GLY A 4 9.422 -9.138 -3.395 1.00 0.00 C ATOM 63 C GLY A 4 8.844 -8.020 -4.234 1.00 0.00 C ATOM 64 O GLY A 4 9.583 -7.230 -4.820 1.00 0.00 O ATOM 0 HA2 GLY A 4 8.793 -9.300 -2.520 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.408 -8.849 -3.030 1.00 0.00 H new ATOM 68 N ILE A 5 7.521 -7.963 -4.308 1.00 0.00 N ATOM 69 CA ILE A 5 6.854 -6.940 -5.098 1.00 0.00 C ATOM 70 C ILE A 5 6.207 -5.890 -4.202 1.00 0.00 C ATOM 71 O ILE A 5 5.237 -6.175 -3.500 1.00 0.00 O ATOM 72 CB ILE A 5 5.758 -7.546 -6.001 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.202 -8.890 -6.593 1.00 0.00 C ATOM 74 CG2 ILE A 5 5.394 -6.572 -7.114 1.00 0.00 C ATOM 75 CD1 ILE A 5 7.604 -8.885 -7.162 1.00 0.00 C ATOM 0 H ILE A 5 6.892 -8.610 -3.833 1.00 0.00 H new ATOM 0 HA ILE A 5 7.622 -6.478 -5.718 1.00 0.00 H new ATOM 0 HB ILE A 5 4.877 -7.727 -5.385 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.139 -9.654 -5.818 1.00 0.00 H new ATOM 0 HG13 ILE A 5 5.504 -9.176 -7.380 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.620 -7.011 -7.743 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.024 -5.644 -6.679 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.277 -6.363 -7.718 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.839 -9.872 -7.560 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.670 -8.147 -7.961 1.00 0.00 H new ATOM 0 HD13 ILE A 5 8.315 -8.632 -6.375 1.00 0.00 H new ATOM 87 N VAL A 6 6.735 -4.672 -4.241 1.00 0.00 N ATOM 88 CA VAL A 6 6.187 -3.583 -3.441 1.00 0.00 C ATOM 89 C VAL A 6 5.499 -2.556 -4.334 1.00 0.00 C ATOM 90 O VAL A 6 6.126 -1.958 -5.202 1.00 0.00 O ATOM 91 CB VAL A 6 7.274 -2.881 -2.599 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.419 -2.401 -3.477 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.675 -1.724 -1.815 1.00 0.00 C ATOM 0 H VAL A 6 7.538 -4.414 -4.815 1.00 0.00 H new ATOM 0 HA VAL A 6 5.459 -4.024 -2.760 1.00 0.00 H new ATOM 0 HB VAL A 6 7.676 -3.606 -1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.171 -1.910 -2.859 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.869 -3.253 -3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.040 -1.695 -4.216 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.455 -1.240 -1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.241 -1.002 -2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.898 -2.099 -1.149 1.00 0.00 H new ATOM 103 N TRP A 7 4.203 -2.359 -4.121 1.00 0.00 N ATOM 104 CA TRP A 7 3.442 -1.404 -4.916 1.00 0.00 C ATOM 105 C TRP A 7 2.997 -0.223 -4.055 1.00 0.00 C ATOM 106 O TRP A 7 2.499 -0.405 -2.945 1.00 0.00 O ATOM 107 CB TRP A 7 2.248 -2.105 -5.571 1.00 0.00 C ATOM 108 CG TRP A 7 2.641 -2.923 -6.773 1.00 0.00 C ATOM 109 CD1 TRP A 7 3.910 -3.263 -7.154 1.00 0.00 C ATOM 110 CD2 TRP A 7 1.766 -3.500 -7.752 1.00 0.00 C ATOM 111 NE1 TRP A 7 3.877 -4.001 -8.311 1.00 0.00 N ATOM 112 CE2 TRP A 7 2.573 -4.164 -8.696 1.00 0.00 C ATOM 113 CE3 TRP A 7 0.382 -3.520 -7.923 1.00 0.00 C ATOM 114 CZ2 TRP A 7 2.038 -4.835 -9.794 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -0.149 -4.186 -9.011 1.00 0.00 C ATOM 116 CH2 TRP A 7 0.677 -4.835 -9.935 1.00 0.00 C ATOM 0 H TRP A 7 3.660 -2.846 -3.408 1.00 0.00 H new ATOM 0 HA TRP A 7 4.079 -1.009 -5.707 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.765 -2.752 -4.839 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.513 -1.358 -5.870 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.809 -2.990 -6.621 1.00 0.00 H new ATOM 0 HE1 TRP A 7 4.691 -4.368 -8.804 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -0.265 -3.022 -7.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.675 -5.337 -10.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.220 -4.206 -9.150 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.232 -5.346 -10.776 1.00 0.00 H new ATOM 127 N VAL A 8 3.222 0.989 -4.559 1.00 0.00 N ATOM 128 CA VAL A 8 2.887 2.207 -3.819 1.00 0.00 C ATOM 129 C VAL A 8 1.931 3.112 -4.595 1.00 0.00 C ATOM 130 O VAL A 8 2.005 3.216 -5.813 1.00 0.00 O ATOM 131 CB VAL A 8 4.166 3.024 -3.495 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.068 3.685 -2.125 1.00 0.00 C ATOM 133 CG2 VAL A 8 5.417 2.153 -3.585 1.00 0.00 C ATOM 0 H VAL A 8 3.635 1.155 -5.477 1.00 0.00 H new ATOM 0 HA VAL A 8 2.399 1.880 -2.901 1.00 0.00 H new ATOM 0 HB VAL A 8 4.248 3.811 -4.244 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.979 4.250 -1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.212 4.359 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.943 2.919 -1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.296 2.754 -3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.340 1.332 -2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.509 1.751 -4.594 1.00 0.00 H new ATOM 143 N VAL A 9 1.048 3.790 -3.872 1.00 0.00 N ATOM 144 CA VAL A 9 0.106 4.714 -4.496 1.00 0.00 C ATOM 145 C VAL A 9 0.112 6.050 -3.757 1.00 0.00 C ATOM 146 O VAL A 9 -0.392 6.138 -2.642 1.00 0.00 O ATOM 147 CB VAL A 9 -1.348 4.173 -4.536 1.00 0.00 C ATOM 148 CG1 VAL A 9 -2.009 4.549 -5.848 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.409 2.670 -4.343 1.00 0.00 C ATOM 0 H VAL A 9 0.964 3.719 -2.858 1.00 0.00 H new ATOM 0 HA VAL A 9 0.440 4.838 -5.526 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.885 4.633 -3.706 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.029 4.164 -5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.029 5.634 -5.947 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.445 4.119 -6.676 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.447 2.340 -4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.844 2.178 -5.135 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.979 2.410 -3.376 1.00 0.00 H new ATOM 159 N ASP A 10 0.685 7.085 -4.383 1.00 0.00 N ATOM 160 CA ASP A 10 0.748 8.422 -3.778 1.00 0.00 C ATOM 161 C ASP A 10 1.641 9.363 -4.582 1.00 0.00 C ATOM 162 O ASP A 10 2.865 9.247 -4.556 1.00 0.00 O ATOM 163 CB ASP A 10 1.264 8.357 -2.337 1.00 0.00 C ATOM 164 CG ASP A 10 1.071 9.669 -1.595 1.00 0.00 C ATOM 165 OD1 ASP A 10 1.233 10.736 -2.225 1.00 0.00 O ATOM 166 OD2 ASP A 10 0.760 9.631 -0.383 1.00 0.00 O ATOM 0 H ASP A 10 1.111 7.023 -5.307 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.270 8.811 -3.780 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.745 7.561 -1.803 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.323 8.099 -2.344 1.00 0.00 H new ATOM 171 N ASP A 11 1.017 10.309 -5.276 1.00 0.00 N ATOM 172 CA ASP A 11 1.733 11.305 -6.073 1.00 0.00 C ATOM 173 C ASP A 11 2.380 10.707 -7.323 1.00 0.00 C ATOM 174 O ASP A 11 2.366 11.330 -8.385 1.00 0.00 O ATOM 175 CB ASP A 11 2.796 12.006 -5.223 1.00 0.00 C ATOM 176 CG ASP A 11 2.755 13.514 -5.379 1.00 0.00 C ATOM 177 OD1 ASP A 11 2.443 13.988 -6.492 1.00 0.00 O ATOM 178 OD2 ASP A 11 3.035 14.222 -4.388 1.00 0.00 O ATOM 0 H ASP A 11 0.002 10.409 -5.303 1.00 0.00 H new ATOM 0 HA ASP A 11 0.991 12.030 -6.407 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.648 11.747 -4.175 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.783 11.640 -5.506 1.00 0.00 H new ATOM 183 N ASP A 12 2.963 9.517 -7.200 1.00 0.00 N ATOM 184 CA ASP A 12 3.624 8.882 -8.333 1.00 0.00 C ATOM 185 C ASP A 12 4.892 9.659 -8.689 1.00 0.00 C ATOM 186 O ASP A 12 5.407 10.408 -7.861 1.00 0.00 O ATOM 187 CB ASP A 12 2.674 8.818 -9.536 1.00 0.00 C ATOM 188 CG ASP A 12 2.874 7.566 -10.370 1.00 0.00 C ATOM 189 OD1 ASP A 12 2.364 6.498 -9.972 1.00 0.00 O ATOM 190 OD2 ASP A 12 3.543 7.656 -11.421 1.00 0.00 O ATOM 0 H ASP A 12 2.991 8.978 -6.334 1.00 0.00 H new ATOM 0 HA ASP A 12 3.899 7.863 -8.062 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.643 8.854 -9.183 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.827 9.696 -10.163 1.00 0.00 H new ATOM 195 N SER A 13 5.377 9.489 -9.921 1.00 0.00 N ATOM 196 CA SER A 13 6.575 10.181 -10.402 1.00 0.00 C ATOM 197 C SER A 13 7.584 10.462 -9.284 1.00 0.00 C ATOM 198 O SER A 13 8.483 9.660 -9.036 1.00 0.00 O ATOM 199 CB SER A 13 6.159 11.466 -11.112 1.00 0.00 C ATOM 200 OG SER A 13 7.127 11.859 -12.069 1.00 0.00 O ATOM 0 H SER A 13 4.952 8.870 -10.611 1.00 0.00 H new ATOM 0 HA SER A 13 7.087 9.525 -11.105 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.197 11.318 -11.603 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.024 12.262 -10.380 1.00 0.00 H new ATOM 0 HG SER A 13 6.835 12.684 -12.510 1.00 0.00 H new ATOM 206 N SER A 14 7.429 11.596 -8.609 1.00 0.00 N ATOM 207 CA SER A 14 8.326 11.967 -7.518 1.00 0.00 C ATOM 208 C SER A 14 8.357 10.874 -6.457 1.00 0.00 C ATOM 209 O SER A 14 9.414 10.324 -6.149 1.00 0.00 O ATOM 210 CB SER A 14 7.883 13.290 -6.889 1.00 0.00 C ATOM 211 OG SER A 14 8.888 13.809 -6.034 1.00 0.00 O ATOM 0 H SER A 14 6.691 12.275 -8.797 1.00 0.00 H new ATOM 0 HA SER A 14 9.329 12.088 -7.927 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.660 14.013 -7.674 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.963 13.138 -6.324 1.00 0.00 H new ATOM 0 HG SER A 14 8.582 14.655 -5.646 1.00 0.00 H new ATOM 217 N ILE A 15 7.189 10.550 -5.914 1.00 0.00 N ATOM 218 CA ILE A 15 7.085 9.508 -4.903 1.00 0.00 C ATOM 219 C ILE A 15 7.544 8.167 -5.478 1.00 0.00 C ATOM 220 O ILE A 15 7.940 7.262 -4.743 1.00 0.00 O ATOM 221 CB ILE A 15 5.638 9.396 -4.359 1.00 0.00 C ATOM 222 CG1 ILE A 15 5.214 10.723 -3.717 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.511 8.254 -3.353 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.941 11.036 -2.426 1.00 0.00 C ATOM 0 H ILE A 15 6.303 10.994 -6.157 1.00 0.00 H new ATOM 0 HA ILE A 15 7.735 9.778 -4.071 1.00 0.00 H new ATOM 0 HB ILE A 15 4.976 9.177 -5.197 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.388 11.532 -4.427 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.142 10.696 -3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.485 8.201 -2.990 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.774 7.313 -3.836 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.184 8.432 -2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.588 11.989 -2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.747 10.248 -1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.012 11.097 -2.617 1.00 0.00 H new ATOM 236 N ARG A 16 7.498 8.053 -6.804 1.00 0.00 N ATOM 237 CA ARG A 16 7.913 6.834 -7.489 1.00 0.00 C ATOM 238 C ARG A 16 9.435 6.728 -7.565 1.00 0.00 C ATOM 239 O ARG A 16 10.022 5.765 -7.076 1.00 0.00 O ATOM 240 CB ARG A 16 7.318 6.795 -8.904 1.00 0.00 C ATOM 241 CG ARG A 16 7.634 5.519 -9.670 1.00 0.00 C ATOM 242 CD ARG A 16 7.324 5.663 -11.153 1.00 0.00 C ATOM 243 NE ARG A 16 8.529 5.602 -11.977 1.00 0.00 N ATOM 244 CZ ARG A 16 8.542 5.828 -13.289 1.00 0.00 C ATOM 245 NH1 ARG A 16 7.419 6.135 -13.927 1.00 0.00 N ATOM 246 NH2 ARG A 16 9.680 5.748 -13.965 1.00 0.00 N ATOM 0 H ARG A 16 7.176 8.794 -7.426 1.00 0.00 H new ATOM 0 HA ARG A 16 7.542 5.985 -6.915 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.236 6.908 -8.836 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.693 7.649 -9.469 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.687 5.268 -9.541 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.056 4.693 -9.256 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.637 4.873 -11.457 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.815 6.611 -11.326 1.00 0.00 H new ATOM 0 HE ARG A 16 9.412 5.373 -11.520 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.541 6.199 -13.412 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.434 6.307 -14.932 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.546 5.513 -13.480 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.689 5.921 -14.970 1.00 0.00 H new ATOM 260 N TRP A 17 10.066 7.715 -8.192 1.00 0.00 N ATOM 261 CA TRP A 17 11.521 7.729 -8.353 1.00 0.00 C ATOM 262 C TRP A 17 12.249 7.388 -7.054 1.00 0.00 C ATOM 263 O TRP A 17 13.269 6.698 -7.070 1.00 0.00 O ATOM 264 CB TRP A 17 11.991 9.094 -8.856 1.00 0.00 C ATOM 265 CG TRP A 17 13.460 9.137 -9.156 1.00 0.00 C ATOM 266 CD1 TRP A 17 14.066 8.828 -10.341 1.00 0.00 C ATOM 267 CD2 TRP A 17 14.510 9.506 -8.253 1.00 0.00 C ATOM 268 NE1 TRP A 17 15.427 8.982 -10.229 1.00 0.00 N ATOM 269 CE2 TRP A 17 15.724 9.398 -8.957 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.539 9.919 -6.918 1.00 0.00 C ATOM 271 CZ2 TRP A 17 16.954 9.689 -8.372 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.762 10.206 -6.337 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.954 10.090 -7.063 1.00 0.00 C ATOM 0 H TRP A 17 9.592 8.521 -8.600 1.00 0.00 H new ATOM 0 HA TRP A 17 11.765 6.961 -9.087 1.00 0.00 H new ATOM 0 HB2 TRP A 17 11.435 9.354 -9.757 1.00 0.00 H new ATOM 0 HB3 TRP A 17 11.757 9.851 -8.107 1.00 0.00 H new ATOM 0 HD1 TRP A 17 13.551 8.509 -11.235 1.00 0.00 H new ATOM 0 HE1 TRP A 17 16.106 8.814 -10.972 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.625 10.012 -6.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 17.874 9.602 -8.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.798 10.525 -5.306 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.892 10.322 -6.581 1.00 0.00 H new ATOM 284 N VAL A 18 11.737 7.881 -5.935 1.00 0.00 N ATOM 285 CA VAL A 18 12.370 7.628 -4.648 1.00 0.00 C ATOM 286 C VAL A 18 12.179 6.190 -4.195 1.00 0.00 C ATOM 287 O VAL A 18 13.145 5.449 -4.012 1.00 0.00 O ATOM 288 CB VAL A 18 11.846 8.566 -3.538 1.00 0.00 C ATOM 289 CG1 VAL A 18 12.904 8.750 -2.461 1.00 0.00 C ATOM 290 CG2 VAL A 18 11.426 9.914 -4.103 1.00 0.00 C ATOM 0 H VAL A 18 10.894 8.453 -5.891 1.00 0.00 H new ATOM 0 HA VAL A 18 13.431 7.823 -4.805 1.00 0.00 H new ATOM 0 HB VAL A 18 10.965 8.101 -3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.522 9.413 -1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.149 7.783 -2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.800 9.186 -2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.062 10.550 -3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.281 10.390 -4.582 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.633 9.770 -4.837 1.00 0.00 H new ATOM 300 N LEU A 19 10.929 5.813 -3.988 1.00 0.00 N ATOM 301 CA LEU A 19 10.595 4.470 -3.519 1.00 0.00 C ATOM 302 C LEU A 19 10.957 3.396 -4.543 1.00 0.00 C ATOM 303 O LEU A 19 11.179 2.241 -4.182 1.00 0.00 O ATOM 304 CB LEU A 19 9.102 4.375 -3.171 1.00 0.00 C ATOM 305 CG LEU A 19 8.713 4.807 -1.751 1.00 0.00 C ATOM 306 CD1 LEU A 19 9.552 4.080 -0.704 1.00 0.00 C ATOM 307 CD2 LEU A 19 8.837 6.317 -1.597 1.00 0.00 C ATOM 0 H LEU A 19 10.122 6.418 -4.137 1.00 0.00 H new ATOM 0 HA LEU A 19 11.188 4.289 -2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.544 4.986 -3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.780 3.344 -3.317 1.00 0.00 H new ATOM 0 HG LEU A 19 7.671 4.532 -1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.254 4.407 0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.396 3.005 -0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.606 4.308 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.557 6.604 -0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.867 6.619 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.176 6.811 -2.309 1.00 0.00 H new ATOM 319 N GLU A 20 10.998 3.769 -5.817 1.00 0.00 N ATOM 320 CA GLU A 20 11.313 2.811 -6.874 1.00 0.00 C ATOM 321 C GLU A 20 12.760 2.327 -6.803 1.00 0.00 C ATOM 322 O GLU A 20 13.019 1.131 -6.686 1.00 0.00 O ATOM 323 CB GLU A 20 11.006 3.397 -8.263 1.00 0.00 C ATOM 324 CG GLU A 20 12.023 4.396 -8.791 1.00 0.00 C ATOM 325 CD GLU A 20 11.718 4.852 -10.204 1.00 0.00 C ATOM 326 OE1 GLU A 20 10.653 5.465 -10.416 1.00 0.00 O ATOM 327 OE2 GLU A 20 12.549 4.598 -11.101 1.00 0.00 O ATOM 0 H GLU A 20 10.819 4.719 -6.143 1.00 0.00 H new ATOM 0 HA GLU A 20 10.672 1.944 -6.714 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.926 2.576 -8.975 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.031 3.883 -8.226 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.050 5.264 -8.132 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.015 3.946 -8.765 1.00 0.00 H new ATOM 334 N ARG A 21 13.695 3.258 -6.900 1.00 0.00 N ATOM 335 CA ARG A 21 15.116 2.923 -6.877 1.00 0.00 C ATOM 336 C ARG A 21 15.578 2.493 -5.487 1.00 0.00 C ATOM 337 O ARG A 21 16.258 1.476 -5.339 1.00 0.00 O ATOM 338 CB ARG A 21 15.950 4.111 -7.363 1.00 0.00 C ATOM 339 CG ARG A 21 15.733 4.446 -8.832 1.00 0.00 C ATOM 340 CD ARG A 21 16.861 3.922 -9.705 1.00 0.00 C ATOM 341 NE ARG A 21 18.173 4.368 -9.238 1.00 0.00 N ATOM 342 CZ ARG A 21 19.175 3.551 -8.914 1.00 0.00 C ATOM 343 NH1 ARG A 21 19.032 2.233 -9.001 1.00 0.00 N ATOM 344 NH2 ARG A 21 20.329 4.057 -8.504 1.00 0.00 N ATOM 0 H ARG A 21 13.499 4.254 -6.996 1.00 0.00 H new ATOM 0 HA ARG A 21 15.263 2.079 -7.550 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.708 4.986 -6.760 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.006 3.894 -7.200 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.787 4.019 -9.166 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.654 5.527 -8.950 1.00 0.00 H new ATOM 0 HD2 ARG A 21 16.833 2.832 -9.717 1.00 0.00 H new ATOM 0 HD3 ARG A 21 16.709 4.256 -10.731 1.00 0.00 H new ATOM 0 HE ARG A 21 18.332 5.372 -9.155 1.00 0.00 H new ATOM 0 HH11 ARG A 21 18.148 1.836 -9.319 1.00 0.00 H new ATOM 0 HH12 ARG A 21 19.806 1.618 -8.750 1.00 0.00 H new ATOM 0 HH21 ARG A 21 20.448 5.068 -8.437 1.00 0.00 H new ATOM 0 HH22 ARG A 21 21.099 3.436 -8.255 1.00 0.00 H new ATOM 358 N ALA A 22 15.221 3.269 -4.470 1.00 0.00 N ATOM 359 CA ALA A 22 15.620 2.953 -3.103 1.00 0.00 C ATOM 360 C ALA A 22 15.177 1.556 -2.707 1.00 0.00 C ATOM 361 O ALA A 22 15.995 0.709 -2.343 1.00 0.00 O ATOM 362 CB ALA A 22 15.066 3.986 -2.134 1.00 0.00 C ATOM 0 H ALA A 22 14.660 4.116 -4.564 1.00 0.00 H new ATOM 0 HA ALA A 22 16.709 2.982 -3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.373 3.734 -1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.449 4.972 -2.395 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.978 3.993 -2.192 1.00 0.00 H new ATOM 368 N LEU A 23 13.882 1.319 -2.790 1.00 0.00 N ATOM 369 CA LEU A 23 13.328 0.017 -2.451 1.00 0.00 C ATOM 370 C LEU A 23 13.850 -1.048 -3.411 1.00 0.00 C ATOM 371 O LEU A 23 13.893 -2.236 -3.081 1.00 0.00 O ATOM 372 CB LEU A 23 11.796 0.059 -2.463 1.00 0.00 C ATOM 373 CG LEU A 23 11.098 -1.073 -1.699 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.858 -1.432 -0.427 1.00 0.00 C ATOM 375 CD2 LEU A 23 9.665 -0.691 -1.367 1.00 0.00 C ATOM 0 H LEU A 23 13.192 2.009 -3.089 1.00 0.00 H new ATOM 0 HA LEU A 23 13.649 -0.243 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.473 1.011 -2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.457 0.037 -3.499 1.00 0.00 H new ATOM 0 HG LEU A 23 11.086 -1.951 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 23 11.338 -2.237 0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.866 -1.757 -0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.914 -0.558 0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.187 -1.507 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.662 0.206 -0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.117 -0.498 -2.289 1.00 0.00 H new ATOM 387 N ALA A 24 14.275 -0.610 -4.593 1.00 0.00 N ATOM 388 CA ALA A 24 14.823 -1.519 -5.581 1.00 0.00 C ATOM 389 C ALA A 24 16.179 -2.018 -5.108 1.00 0.00 C ATOM 390 O ALA A 24 16.549 -3.167 -5.345 1.00 0.00 O ATOM 391 CB ALA A 24 14.940 -0.838 -6.936 1.00 0.00 C ATOM 0 H ALA A 24 14.248 0.367 -4.884 1.00 0.00 H new ATOM 0 HA ALA A 24 14.150 -2.369 -5.697 1.00 0.00 H new ATOM 0 HB1 ALA A 24 15.353 -1.539 -7.661 1.00 0.00 H new ATOM 0 HB2 ALA A 24 13.953 -0.514 -7.267 1.00 0.00 H new ATOM 0 HB3 ALA A 24 15.597 0.027 -6.853 1.00 0.00 H new ATOM 397 N GLY A 25 16.905 -1.147 -4.410 1.00 0.00 N ATOM 398 CA GLY A 25 18.199 -1.525 -3.884 1.00 0.00 C ATOM 399 C GLY A 25 18.065 -2.558 -2.784 1.00 0.00 C ATOM 400 O GLY A 25 19.006 -3.300 -2.502 1.00 0.00 O ATOM 0 H GLY A 25 16.618 -0.190 -4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.818 -1.924 -4.687 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.709 -0.643 -3.497 1.00 0.00 H new ATOM 404 N ALA A 26 16.884 -2.610 -2.167 1.00 0.00 N ATOM 405 CA ALA A 26 16.622 -3.562 -1.101 1.00 0.00 C ATOM 406 C ALA A 26 16.356 -4.955 -1.665 1.00 0.00 C ATOM 407 O ALA A 26 16.424 -5.948 -0.942 1.00 0.00 O ATOM 408 CB ALA A 26 15.446 -3.097 -0.256 1.00 0.00 C ATOM 0 H ALA A 26 16.097 -2.001 -2.391 1.00 0.00 H new ATOM 0 HA ALA A 26 17.508 -3.618 -0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.261 -3.820 0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.675 -2.126 0.183 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.558 -3.012 -0.883 1.00 0.00 H new ATOM 414 N GLY A 27 16.076 -5.025 -2.967 1.00 0.00 N ATOM 415 CA GLY A 27 15.835 -6.307 -3.602 1.00 0.00 C ATOM 416 C GLY A 27 14.376 -6.576 -3.929 1.00 0.00 C ATOM 417 O GLY A 27 13.972 -7.735 -4.023 1.00 0.00 O ATOM 0 H GLY A 27 16.013 -4.219 -3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.417 -6.359 -4.522 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.201 -7.098 -2.948 1.00 0.00 H new ATOM 421 N LEU A 28 13.575 -5.528 -4.112 1.00 0.00 N ATOM 422 CA LEU A 28 12.166 -5.715 -4.438 1.00 0.00 C ATOM 423 C LEU A 28 11.747 -4.870 -5.635 1.00 0.00 C ATOM 424 O LEU A 28 12.479 -3.984 -6.076 1.00 0.00 O ATOM 425 CB LEU A 28 11.277 -5.385 -3.238 1.00 0.00 C ATOM 426 CG LEU A 28 11.963 -5.451 -1.876 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.546 -4.111 -1.520 1.00 0.00 C ATOM 428 CD2 LEU A 28 10.987 -5.924 -0.812 1.00 0.00 C ATOM 0 H LEU A 28 13.873 -4.555 -4.041 1.00 0.00 H new ATOM 0 HA LEU A 28 12.037 -6.766 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.871 -4.382 -3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.432 -6.073 -3.234 1.00 0.00 H new ATOM 0 HG LEU A 28 12.779 -6.172 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.032 -4.173 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.278 -3.821 -2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.751 -3.367 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.492 -5.965 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.149 -5.230 -0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.619 -6.917 -1.071 1.00 0.00 H new ATOM 440 N THR A 29 10.550 -5.150 -6.146 1.00 0.00 N ATOM 441 CA THR A 29 10.005 -4.417 -7.284 1.00 0.00 C ATOM 442 C THR A 29 9.036 -3.350 -6.796 1.00 0.00 C ATOM 443 O THR A 29 7.925 -3.660 -6.365 1.00 0.00 O ATOM 444 CB THR A 29 9.293 -5.373 -8.247 1.00 0.00 C ATOM 445 OG1 THR A 29 10.211 -6.298 -8.805 1.00 0.00 O ATOM 446 CG2 THR A 29 8.599 -4.664 -9.393 1.00 0.00 C ATOM 0 H THR A 29 9.938 -5.883 -5.787 1.00 0.00 H new ATOM 0 HA THR A 29 10.826 -3.938 -7.817 1.00 0.00 H new ATOM 0 HB THR A 29 8.538 -5.880 -7.646 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.738 -6.901 -9.416 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.115 -5.399 -10.036 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.849 -3.980 -8.997 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.333 -4.103 -9.971 1.00 0.00 H new ATOM 454 N CYS A 30 9.469 -2.097 -6.844 1.00 0.00 N ATOM 455 CA CYS A 30 8.644 -0.993 -6.378 1.00 0.00 C ATOM 456 C CYS A 30 8.039 -0.189 -7.523 1.00 0.00 C ATOM 457 O CYS A 30 8.744 0.511 -8.252 1.00 0.00 O ATOM 458 CB CYS A 30 9.464 -0.076 -5.478 1.00 0.00 C ATOM 459 SG CYS A 30 8.481 1.174 -4.625 1.00 0.00 S ATOM 0 H CYS A 30 10.384 -1.821 -7.200 1.00 0.00 H new ATOM 0 HA CYS A 30 7.816 -1.426 -5.816 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.987 -0.681 -4.738 1.00 0.00 H new ATOM 0 HB3 CYS A 30 10.226 0.421 -6.079 1.00 0.00 H new ATOM 0 HG CYS A 30 7.821 1.876 -5.497 1.00 0.00 H new ATOM 465 N THR A 31 6.719 -0.269 -7.642 1.00 0.00 N ATOM 466 CA THR A 31 5.985 0.473 -8.657 1.00 0.00 C ATOM 467 C THR A 31 4.985 1.382 -7.950 1.00 0.00 C ATOM 468 O THR A 31 4.584 1.092 -6.821 1.00 0.00 O ATOM 469 CB THR A 31 5.267 -0.482 -9.622 1.00 0.00 C ATOM 470 OG1 THR A 31 4.965 0.179 -10.841 1.00 0.00 O ATOM 471 CG2 THR A 31 3.972 -1.033 -9.074 1.00 0.00 C ATOM 0 H THR A 31 6.131 -0.847 -7.041 1.00 0.00 H new ATOM 0 HA THR A 31 6.676 1.071 -9.251 1.00 0.00 H new ATOM 0 HB THR A 31 5.958 -1.311 -9.774 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.509 -0.443 -11.446 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.520 -1.699 -9.809 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.171 -1.587 -8.156 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.288 -0.211 -8.861 1.00 0.00 H new ATOM 479 N THR A 32 4.585 2.481 -8.580 1.00 0.00 N ATOM 480 CA THR A 32 3.646 3.389 -7.936 1.00 0.00 C ATOM 481 C THR A 32 2.411 3.658 -8.783 1.00 0.00 C ATOM 482 O THR A 32 2.364 3.342 -9.970 1.00 0.00 O ATOM 483 CB THR A 32 4.327 4.695 -7.546 1.00 0.00 C ATOM 484 OG1 THR A 32 4.546 5.517 -8.681 1.00 0.00 O ATOM 485 CG2 THR A 32 5.656 4.481 -6.857 1.00 0.00 C ATOM 0 H THR A 32 4.888 2.760 -9.513 1.00 0.00 H new ATOM 0 HA THR A 32 3.304 2.888 -7.030 1.00 0.00 H new ATOM 0 HB THR A 32 3.646 5.182 -6.848 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.692 5.891 -8.984 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.094 5.446 -6.603 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.505 3.900 -5.947 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.329 3.942 -7.524 1.00 0.00 H new ATOM 493 N PHE A 33 1.398 4.212 -8.127 1.00 0.00 N ATOM 494 CA PHE A 33 0.121 4.501 -8.758 1.00 0.00 C ATOM 495 C PHE A 33 -0.398 5.894 -8.368 1.00 0.00 C ATOM 496 O PHE A 33 0.218 6.584 -7.556 1.00 0.00 O ATOM 497 CB PHE A 33 -0.857 3.392 -8.387 1.00 0.00 C ATOM 498 CG PHE A 33 -0.393 2.043 -8.846 1.00 0.00 C ATOM 499 CD1 PHE A 33 0.607 1.383 -8.155 1.00 0.00 C ATOM 500 CD2 PHE A 33 -0.941 1.437 -9.965 1.00 0.00 C ATOM 501 CE1 PHE A 33 1.049 0.144 -8.565 1.00 0.00 C ATOM 502 CE2 PHE A 33 -0.502 0.197 -10.382 1.00 0.00 C ATOM 503 CZ PHE A 33 0.494 -0.453 -9.680 1.00 0.00 C ATOM 0 H PHE A 33 1.442 4.473 -7.142 1.00 0.00 H new ATOM 0 HA PHE A 33 0.238 4.524 -9.841 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.993 3.378 -7.306 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.830 3.608 -8.828 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.047 1.845 -7.283 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.721 1.941 -10.517 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.829 -0.360 -8.015 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.937 -0.265 -11.256 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.838 -1.425 -10.002 1.00 0.00 H new ATOM 513 N GLU A 34 -1.502 6.324 -8.987 1.00 0.00 N ATOM 514 CA GLU A 34 -2.058 7.658 -8.743 1.00 0.00 C ATOM 515 C GLU A 34 -2.500 7.889 -7.291 1.00 0.00 C ATOM 516 O GLU A 34 -1.979 8.790 -6.634 1.00 0.00 O ATOM 517 CB GLU A 34 -3.237 7.905 -9.690 1.00 0.00 C ATOM 518 CG GLU A 34 -4.300 6.820 -9.652 1.00 0.00 C ATOM 519 CD GLU A 34 -5.523 7.202 -8.842 1.00 0.00 C ATOM 520 OE1 GLU A 34 -5.832 8.410 -8.760 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.171 6.287 -8.287 1.00 0.00 O ATOM 0 H GLU A 34 -2.028 5.767 -9.661 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.254 8.368 -8.934 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.698 8.860 -9.438 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.859 7.993 -10.709 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.607 6.587 -10.672 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.866 5.911 -9.234 1.00 0.00 H new ATOM 528 N ASN A 35 -3.454 7.110 -6.784 1.00 0.00 N ATOM 529 CA ASN A 35 -3.918 7.304 -5.410 1.00 0.00 C ATOM 530 C ASN A 35 -4.433 6.016 -4.770 1.00 0.00 C ATOM 531 O ASN A 35 -4.419 5.876 -3.546 1.00 0.00 O ATOM 532 CB ASN A 35 -4.998 8.381 -5.353 1.00 0.00 C ATOM 533 CG ASN A 35 -5.114 8.996 -3.976 1.00 0.00 C ATOM 534 OD1 ASN A 35 -5.631 8.376 -3.047 1.00 0.00 O ATOM 535 ND2 ASN A 35 -4.627 10.222 -3.836 1.00 0.00 N ATOM 0 H ASN A 35 -3.913 6.353 -7.291 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.050 7.626 -4.834 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.771 9.161 -6.080 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.957 7.948 -5.639 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.673 10.688 -2.930 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.207 10.698 -4.634 1.00 0.00 H new ATOM 542 N GLY A 36 -4.873 5.073 -5.592 1.00 0.00 N ATOM 543 CA GLY A 36 -5.366 3.816 -5.067 1.00 0.00 C ATOM 544 C GLY A 36 -6.088 2.986 -6.106 1.00 0.00 C ATOM 545 O GLY A 36 -5.697 1.852 -6.383 1.00 0.00 O ATOM 0 H GLY A 36 -4.897 5.155 -6.608 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.530 3.242 -4.668 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.042 4.016 -4.235 1.00 0.00 H new ATOM 549 N ASN A 37 -7.144 3.549 -6.682 1.00 0.00 N ATOM 550 CA ASN A 37 -7.922 2.845 -7.693 1.00 0.00 C ATOM 551 C ASN A 37 -7.017 2.325 -8.803 1.00 0.00 C ATOM 552 O ASN A 37 -7.327 1.330 -9.455 1.00 0.00 O ATOM 553 CB ASN A 37 -9.008 3.756 -8.266 1.00 0.00 C ATOM 554 CG ASN A 37 -10.407 3.241 -7.976 1.00 0.00 C ATOM 555 OD1 ASN A 37 -10.612 2.716 -6.771 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -11.294 3.316 -8.826 1.00 0.00 N flip ATOM 0 H ASN A 37 -7.480 4.488 -6.467 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.406 1.991 -7.219 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.898 4.756 -7.847 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.873 3.845 -9.344 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.093 3.726 -9.738 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -12.230 2.968 -8.618 1.00 0.00 H new ATOM 563 N GLU A 38 -5.890 3.000 -9.005 1.00 0.00 N ATOM 564 CA GLU A 38 -4.939 2.592 -10.028 1.00 0.00 C ATOM 565 C GLU A 38 -4.444 1.173 -9.772 1.00 0.00 C ATOM 566 O GLU A 38 -4.632 0.289 -10.609 1.00 0.00 O ATOM 567 CB GLU A 38 -3.758 3.553 -10.072 1.00 0.00 C ATOM 568 CG GLU A 38 -3.561 4.231 -11.418 1.00 0.00 C ATOM 569 CD GLU A 38 -2.470 3.580 -12.246 1.00 0.00 C ATOM 570 OE1 GLU A 38 -2.668 2.431 -12.693 1.00 0.00 O ATOM 571 OE2 GLU A 38 -1.417 4.221 -12.447 1.00 0.00 O ATOM 0 H GLU A 38 -5.615 3.828 -8.476 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.449 2.614 -10.991 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.897 4.318 -9.308 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.850 3.008 -9.815 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.498 4.205 -11.974 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.314 5.281 -11.259 1.00 0.00 H new ATOM 578 N VAL A 39 -3.808 0.946 -8.614 1.00 0.00 N ATOM 579 CA VAL A 39 -3.304 -0.392 -8.295 1.00 0.00 C ATOM 580 C VAL A 39 -4.378 -1.448 -8.536 1.00 0.00 C ATOM 581 O VAL A 39 -4.077 -2.569 -8.943 1.00 0.00 O ATOM 582 CB VAL A 39 -2.824 -0.518 -6.837 1.00 0.00 C ATOM 583 CG1 VAL A 39 -2.200 -1.881 -6.605 1.00 0.00 C ATOM 584 CG2 VAL A 39 -1.825 0.561 -6.489 1.00 0.00 C ATOM 0 H VAL A 39 -3.634 1.654 -7.900 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.452 -0.553 -8.955 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.695 -0.400 -6.192 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.865 -1.956 -5.570 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.938 -2.658 -6.805 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.348 -2.009 -7.273 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.507 0.442 -5.453 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.959 0.480 -7.146 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.287 1.540 -6.617 1.00 0.00 H new ATOM 594 N LEU A 40 -5.628 -1.080 -8.280 1.00 0.00 N ATOM 595 CA LEU A 40 -6.747 -1.997 -8.469 1.00 0.00 C ATOM 596 C LEU A 40 -6.798 -2.502 -9.906 1.00 0.00 C ATOM 597 O LEU A 40 -7.010 -3.691 -10.151 1.00 0.00 O ATOM 598 CB LEU A 40 -8.070 -1.315 -8.115 1.00 0.00 C ATOM 599 CG LEU A 40 -8.075 -0.537 -6.799 1.00 0.00 C ATOM 600 CD1 LEU A 40 -9.473 -0.021 -6.498 1.00 0.00 C ATOM 601 CD2 LEU A 40 -7.569 -1.406 -5.657 1.00 0.00 C ATOM 0 H LEU A 40 -5.892 -0.155 -7.942 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.597 -2.847 -7.803 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.335 -0.632 -8.922 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.851 -2.075 -8.071 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.403 0.315 -6.900 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.463 0.531 -5.558 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.799 0.638 -7.303 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.162 -0.862 -6.417 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.581 -0.832 -4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.213 -2.279 -5.552 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.550 -1.730 -5.870 1.00 0.00 H new ATOM 613 N ALA A 41 -6.602 -1.592 -10.854 1.00 0.00 N ATOM 614 CA ALA A 41 -6.623 -1.947 -12.267 1.00 0.00 C ATOM 615 C ALA A 41 -5.526 -2.947 -12.590 1.00 0.00 C ATOM 616 O ALA A 41 -5.781 -4.014 -13.149 1.00 0.00 O ATOM 617 CB ALA A 41 -6.475 -0.702 -13.128 1.00 0.00 C ATOM 0 H ALA A 41 -6.427 -0.604 -10.669 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.584 -2.412 -12.487 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.492 -0.984 -14.181 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.298 -0.017 -12.922 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.529 -0.212 -12.899 1.00 0.00 H new ATOM 623 N ALA A 42 -4.309 -2.590 -12.228 1.00 0.00 N ATOM 624 CA ALA A 42 -3.154 -3.441 -12.468 1.00 0.00 C ATOM 625 C ALA A 42 -3.226 -4.707 -11.622 1.00 0.00 C ATOM 626 O ALA A 42 -2.740 -5.762 -12.024 1.00 0.00 O ATOM 627 CB ALA A 42 -1.866 -2.681 -12.178 1.00 0.00 C ATOM 0 H ALA A 42 -4.091 -1.709 -11.762 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.159 -3.733 -13.518 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.011 -3.331 -12.362 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.805 -1.808 -12.827 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.860 -2.360 -11.136 1.00 0.00 H new ATOM 633 N LEU A 43 -3.834 -4.590 -10.445 1.00 0.00 N ATOM 634 CA LEU A 43 -3.966 -5.724 -9.540 1.00 0.00 C ATOM 635 C LEU A 43 -4.744 -6.861 -10.190 1.00 0.00 C ATOM 636 O LEU A 43 -4.536 -8.033 -9.874 1.00 0.00 O ATOM 637 CB LEU A 43 -4.673 -5.309 -8.251 1.00 0.00 C ATOM 638 CG LEU A 43 -3.771 -4.797 -7.140 1.00 0.00 C ATOM 639 CD1 LEU A 43 -4.601 -4.122 -6.058 1.00 0.00 C ATOM 640 CD2 LEU A 43 -2.987 -5.953 -6.561 1.00 0.00 C ATOM 0 H LEU A 43 -4.242 -3.722 -10.097 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.959 -6.070 -9.307 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.400 -4.533 -8.491 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.233 -6.165 -7.874 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.077 -4.061 -7.546 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.943 -3.760 -5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.147 -3.283 -6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.308 -4.839 -5.641 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.339 -5.590 -5.764 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.677 -6.695 -6.158 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.380 -6.409 -7.343 1.00 0.00 H new ATOM 652 N ALA A 44 -5.650 -6.501 -11.087 1.00 0.00 N ATOM 653 CA ALA A 44 -6.482 -7.479 -11.780 1.00 0.00 C ATOM 654 C ALA A 44 -5.649 -8.562 -12.461 1.00 0.00 C ATOM 655 O ALA A 44 -6.161 -9.634 -12.783 1.00 0.00 O ATOM 656 CB ALA A 44 -7.376 -6.781 -12.796 1.00 0.00 C ATOM 0 H ALA A 44 -5.830 -5.533 -11.355 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.102 -7.971 -11.031 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.992 -7.521 -13.307 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.018 -6.065 -12.284 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.758 -6.257 -13.525 1.00 0.00 H new ATOM 662 N SER A 45 -4.372 -8.280 -12.688 1.00 0.00 N ATOM 663 CA SER A 45 -3.489 -9.236 -13.339 1.00 0.00 C ATOM 664 C SER A 45 -2.210 -9.478 -12.534 1.00 0.00 C ATOM 665 O SER A 45 -1.353 -10.261 -12.947 1.00 0.00 O ATOM 666 CB SER A 45 -3.137 -8.749 -14.744 1.00 0.00 C ATOM 667 OG SER A 45 -2.041 -9.472 -15.277 1.00 0.00 O ATOM 0 H SER A 45 -3.927 -7.399 -12.431 1.00 0.00 H new ATOM 0 HA SER A 45 -4.022 -10.185 -13.402 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.002 -8.860 -15.398 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.895 -7.687 -14.714 1.00 0.00 H new ATOM 0 HG SER A 45 -1.783 -10.182 -14.653 1.00 0.00 H new ATOM 673 N LYS A 46 -2.080 -8.813 -11.389 1.00 0.00 N ATOM 674 CA LYS A 46 -0.904 -8.971 -10.546 1.00 0.00 C ATOM 675 C LYS A 46 -1.224 -8.613 -9.098 1.00 0.00 C ATOM 676 O LYS A 46 -2.178 -7.890 -8.826 1.00 0.00 O ATOM 677 CB LYS A 46 0.242 -8.098 -11.067 1.00 0.00 C ATOM 678 CG LYS A 46 1.557 -8.845 -11.225 1.00 0.00 C ATOM 679 CD LYS A 46 2.640 -8.270 -10.324 1.00 0.00 C ATOM 680 CE LYS A 46 3.969 -8.149 -11.055 1.00 0.00 C ATOM 681 NZ LYS A 46 4.833 -9.343 -10.841 1.00 0.00 N ATOM 0 H LYS A 46 -2.775 -8.161 -11.026 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.595 -10.016 -10.580 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.044 -7.676 -12.030 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.389 -7.262 -10.384 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.408 -9.899 -10.989 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.882 -8.794 -12.264 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.331 -7.289 -9.964 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.762 -8.907 -9.448 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.786 -8.020 -12.122 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.492 -7.257 -10.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.728 -9.220 -11.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.030 -9.452 -9.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.345 -10.192 -11.192 1.00 0.00 H new ATOM 695 N THR A 47 -0.425 -9.127 -8.168 1.00 0.00 N ATOM 696 CA THR A 47 -0.632 -8.856 -6.754 1.00 0.00 C ATOM 697 C THR A 47 0.697 -8.609 -6.037 1.00 0.00 C ATOM 698 O THR A 47 1.523 -9.515 -5.928 1.00 0.00 O ATOM 699 CB THR A 47 -1.371 -10.020 -6.092 1.00 0.00 C ATOM 700 OG1 THR A 47 -2.622 -10.240 -6.719 1.00 0.00 O ATOM 701 CG2 THR A 47 -1.629 -9.807 -4.615 1.00 0.00 C ATOM 0 H THR A 47 0.370 -9.733 -8.370 1.00 0.00 H new ATOM 0 HA THR A 47 -1.238 -7.954 -6.673 1.00 0.00 H new ATOM 0 HB THR A 47 -0.713 -10.881 -6.207 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.079 -10.989 -6.283 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.156 -10.671 -4.209 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.680 -9.684 -4.094 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.237 -8.913 -4.477 1.00 0.00 H new ATOM 709 N PRO A 48 0.924 -7.383 -5.524 1.00 0.00 N ATOM 710 CA PRO A 48 2.158 -7.056 -4.809 1.00 0.00 C ATOM 711 C PRO A 48 2.181 -7.670 -3.413 1.00 0.00 C ATOM 712 O PRO A 48 1.133 -7.943 -2.830 1.00 0.00 O ATOM 713 CB PRO A 48 2.127 -5.530 -4.726 1.00 0.00 C ATOM 714 CG PRO A 48 0.681 -5.177 -4.755 1.00 0.00 C ATOM 715 CD PRO A 48 0.001 -6.233 -5.585 1.00 0.00 C ATOM 0 HA PRO A 48 3.044 -7.445 -5.311 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.603 -5.174 -3.812 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.662 -5.077 -5.561 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.268 -5.150 -3.747 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.532 -4.188 -5.187 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.980 -6.487 -5.183 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.152 -5.898 -6.611 1.00 0.00 H new ATOM 723 N ASP A 49 3.378 -7.892 -2.881 1.00 0.00 N ATOM 724 CA ASP A 49 3.522 -8.478 -1.552 1.00 0.00 C ATOM 725 C ASP A 49 3.321 -7.427 -0.464 1.00 0.00 C ATOM 726 O ASP A 49 2.971 -7.754 0.670 1.00 0.00 O ATOM 727 CB ASP A 49 4.896 -9.132 -1.403 1.00 0.00 C ATOM 728 CG ASP A 49 5.103 -10.273 -2.380 1.00 0.00 C ATOM 729 OD1 ASP A 49 5.182 -10.005 -3.597 1.00 0.00 O ATOM 730 OD2 ASP A 49 5.186 -11.433 -1.928 1.00 0.00 O ATOM 0 H ASP A 49 4.259 -7.676 -3.347 1.00 0.00 H new ATOM 0 HA ASP A 49 2.752 -9.241 -1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.671 -8.381 -1.556 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.010 -9.504 -0.385 1.00 0.00 H new ATOM 735 N VAL A 50 3.547 -6.165 -0.814 1.00 0.00 N ATOM 736 CA VAL A 50 3.391 -5.068 0.132 1.00 0.00 C ATOM 737 C VAL A 50 2.878 -3.816 -0.578 1.00 0.00 C ATOM 738 O VAL A 50 3.659 -3.024 -1.105 1.00 0.00 O ATOM 739 CB VAL A 50 4.724 -4.757 0.847 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.843 -4.563 -0.162 1.00 0.00 C ATOM 741 CG2 VAL A 50 4.595 -3.538 1.747 1.00 0.00 C ATOM 0 H VAL A 50 3.839 -5.877 -1.748 1.00 0.00 H new ATOM 0 HA VAL A 50 2.661 -5.376 0.881 1.00 0.00 H new ATOM 0 HB VAL A 50 4.972 -5.612 1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.773 -4.345 0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.964 -5.472 -0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.597 -3.732 -0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.550 -3.344 2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.312 -2.672 1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.831 -3.722 2.502 1.00 0.00 H new ATOM 751 N LEU A 51 1.558 -3.655 -0.597 1.00 0.00 N ATOM 752 CA LEU A 51 0.932 -2.513 -1.255 1.00 0.00 C ATOM 753 C LEU A 51 0.835 -1.302 -0.327 1.00 0.00 C ATOM 754 O LEU A 51 0.757 -1.438 0.893 1.00 0.00 O ATOM 755 CB LEU A 51 -0.461 -2.896 -1.758 1.00 0.00 C ATOM 756 CG LEU A 51 -1.218 -1.785 -2.487 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.472 -1.372 -3.747 1.00 0.00 C ATOM 758 CD2 LEU A 51 -2.633 -2.239 -2.827 1.00 0.00 C ATOM 0 H LEU A 51 0.900 -4.303 -0.163 1.00 0.00 H new ATOM 0 HA LEU A 51 1.563 -2.234 -2.099 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.366 -3.750 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.059 -3.224 -0.908 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.284 -0.920 -1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.024 -0.581 -4.254 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.520 -1.008 -3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.377 -2.231 -4.411 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.158 -1.437 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.588 -3.118 -3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.166 -2.487 -1.909 1.00 0.00 H new ATOM 770 N LEU A 52 0.832 -0.119 -0.933 1.00 0.00 N ATOM 771 CA LEU A 52 0.736 1.140 -0.198 1.00 0.00 C ATOM 772 C LEU A 52 -0.214 2.090 -0.931 1.00 0.00 C ATOM 773 O LEU A 52 -0.005 2.370 -2.104 1.00 0.00 O ATOM 774 CB LEU A 52 2.117 1.787 -0.089 1.00 0.00 C ATOM 775 CG LEU A 52 3.082 1.154 0.910 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.512 1.192 0.375 1.00 0.00 C ATOM 777 CD2 LEU A 52 3.001 1.871 2.246 1.00 0.00 C ATOM 0 H LEU A 52 0.896 -0.005 -1.945 1.00 0.00 H new ATOM 0 HA LEU A 52 0.353 0.940 0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.583 1.768 -1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.984 2.835 0.180 1.00 0.00 H new ATOM 0 HG LEU A 52 2.795 0.112 1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.185 0.736 1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.564 0.640 -0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.809 2.227 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.694 1.409 2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.264 2.920 2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.986 1.799 2.637 1.00 0.00 H new ATOM 789 N SER A 53 -1.264 2.567 -0.256 1.00 0.00 N ATOM 790 CA SER A 53 -2.240 3.461 -0.896 1.00 0.00 C ATOM 791 C SER A 53 -2.184 4.892 -0.350 1.00 0.00 C ATOM 792 O SER A 53 -1.942 5.111 0.836 1.00 0.00 O ATOM 793 CB SER A 53 -3.649 2.892 -0.732 1.00 0.00 C ATOM 794 OG SER A 53 -4.634 3.881 -0.968 1.00 0.00 O ATOM 0 H SER A 53 -1.461 2.354 0.722 1.00 0.00 H new ATOM 0 HA SER A 53 -1.980 3.516 -1.953 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.791 2.062 -1.424 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.767 2.491 0.275 1.00 0.00 H new ATOM 0 HG SER A 53 -4.406 4.383 -1.779 1.00 0.00 H new ATOM 800 N ASP A 54 -2.418 5.860 -1.246 1.00 0.00 N ATOM 801 CA ASP A 54 -2.403 7.285 -0.894 1.00 0.00 C ATOM 802 C ASP A 54 -3.658 7.692 -0.135 1.00 0.00 C ATOM 803 O ASP A 54 -3.728 8.791 0.413 1.00 0.00 O ATOM 804 CB ASP A 54 -2.283 8.147 -2.153 1.00 0.00 C ATOM 805 CG ASP A 54 -2.112 9.619 -1.829 1.00 0.00 C ATOM 806 OD1 ASP A 54 -1.757 9.934 -0.673 1.00 0.00 O ATOM 807 OD2 ASP A 54 -2.328 10.455 -2.732 1.00 0.00 O ATOM 0 H ASP A 54 -2.622 5.679 -2.229 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.539 7.445 -0.250 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.433 7.806 -2.744 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.173 8.014 -2.768 1.00 0.00 H new ATOM 812 N ILE A 55 -4.644 6.805 -0.107 1.00 0.00 N ATOM 813 CA ILE A 55 -5.900 7.061 0.588 1.00 0.00 C ATOM 814 C ILE A 55 -6.443 8.468 0.321 1.00 0.00 C ATOM 815 O ILE A 55 -6.324 9.354 1.166 1.00 0.00 O ATOM 816 CB ILE A 55 -5.755 6.856 2.114 1.00 0.00 C ATOM 817 CG1 ILE A 55 -6.987 7.375 2.857 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.504 7.542 2.639 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.328 6.576 4.089 1.00 0.00 C ATOM 0 H ILE A 55 -4.597 5.893 -0.562 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.612 6.338 0.190 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.666 5.785 2.295 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.819 8.413 3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.841 7.365 2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.426 7.383 3.714 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.626 7.125 2.145 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.562 8.611 2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.212 7.001 4.565 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.529 5.542 3.808 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.490 6.607 4.786 1.00 0.00 H new ATOM 831 N ARG A 56 -7.055 8.655 -0.847 1.00 0.00 N ATOM 832 CA ARG A 56 -7.639 9.946 -1.216 1.00 0.00 C ATOM 833 C ARG A 56 -8.097 9.934 -2.672 1.00 0.00 C ATOM 834 O ARG A 56 -7.443 10.509 -3.543 1.00 0.00 O ATOM 835 CB ARG A 56 -6.639 11.087 -0.996 1.00 0.00 C ATOM 836 CG ARG A 56 -7.281 12.464 -0.976 1.00 0.00 C ATOM 837 CD ARG A 56 -7.921 12.762 0.370 1.00 0.00 C ATOM 838 NE ARG A 56 -8.835 13.901 0.302 1.00 0.00 N ATOM 839 CZ ARG A 56 -9.212 14.614 1.360 1.00 0.00 C ATOM 840 NH1 ARG A 56 -8.763 14.309 2.572 1.00 0.00 N ATOM 841 NH2 ARG A 56 -10.044 15.637 1.207 1.00 0.00 N ATOM 0 H ARG A 56 -7.160 7.929 -1.556 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.503 10.113 -0.573 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.118 10.925 -0.053 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.887 11.057 -1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.528 13.221 -1.197 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.035 12.526 -1.760 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.463 11.882 0.716 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.142 12.966 1.105 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.206 14.165 -0.611 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.125 13.523 2.697 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.057 14.860 3.378 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.394 15.876 0.279 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.334 16.184 2.017 1.00 0.00 H new ATOM 855 N MET A 57 -9.228 9.281 -2.932 1.00 0.00 N ATOM 856 CA MET A 57 -9.764 9.207 -4.289 1.00 0.00 C ATOM 857 C MET A 57 -11.245 8.807 -4.308 1.00 0.00 C ATOM 858 O MET A 57 -12.084 9.570 -4.787 1.00 0.00 O ATOM 859 CB MET A 57 -8.943 8.233 -5.140 1.00 0.00 C ATOM 860 CG MET A 57 -8.777 8.680 -6.583 1.00 0.00 C ATOM 861 SD MET A 57 -10.199 8.248 -7.607 1.00 0.00 S ATOM 862 CE MET A 57 -9.434 8.132 -9.222 1.00 0.00 C ATOM 0 H MET A 57 -9.787 8.799 -2.227 1.00 0.00 H new ATOM 0 HA MET A 57 -9.690 10.207 -4.716 1.00 0.00 H new ATOM 0 HB2 MET A 57 -7.958 8.111 -4.690 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.424 7.255 -5.124 1.00 0.00 H new ATOM 0 HG2 MET A 57 -8.628 9.759 -6.611 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.880 8.223 -7.001 1.00 0.00 H new ATOM 0 HE1 MET A 57 -10.188 7.871 -9.964 1.00 0.00 H new ATOM 0 HE2 MET A 57 -8.986 9.091 -9.482 1.00 0.00 H new ATOM 0 HE3 MET A 57 -8.661 7.363 -9.204 1.00 0.00 H new ATOM 872 N PRO A 58 -11.597 7.602 -3.809 1.00 0.00 N ATOM 873 CA PRO A 58 -12.991 7.132 -3.809 1.00 0.00 C ATOM 874 C PRO A 58 -13.865 7.820 -2.765 1.00 0.00 C ATOM 875 O PRO A 58 -13.460 8.803 -2.142 1.00 0.00 O ATOM 876 CB PRO A 58 -12.856 5.646 -3.481 1.00 0.00 C ATOM 877 CG PRO A 58 -11.618 5.563 -2.663 1.00 0.00 C ATOM 878 CD PRO A 58 -10.683 6.596 -3.231 1.00 0.00 C ATOM 0 HA PRO A 58 -13.480 7.346 -4.759 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.722 5.280 -2.930 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.776 5.044 -4.386 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.829 5.762 -1.612 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.180 4.567 -2.717 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.045 7.028 -2.460 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.024 6.169 -3.988 1.00 0.00 H new ATOM 886 N GLY A 59 -15.072 7.289 -2.586 1.00 0.00 N ATOM 887 CA GLY A 59 -16.005 7.847 -1.624 1.00 0.00 C ATOM 888 C GLY A 59 -15.434 7.916 -0.223 1.00 0.00 C ATOM 889 O GLY A 59 -15.331 8.997 0.357 1.00 0.00 O ATOM 0 H GLY A 59 -15.421 6.477 -3.094 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -16.293 8.848 -1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.912 7.243 -1.612 1.00 0.00 H new ATOM 893 N MET A 60 -15.057 6.765 0.327 1.00 0.00 N ATOM 894 CA MET A 60 -14.488 6.710 1.672 1.00 0.00 C ATOM 895 C MET A 60 -13.067 7.266 1.677 1.00 0.00 C ATOM 896 O MET A 60 -12.131 6.609 2.140 1.00 0.00 O ATOM 897 CB MET A 60 -14.489 5.270 2.191 1.00 0.00 C ATOM 898 CG MET A 60 -14.686 5.167 3.694 1.00 0.00 C ATOM 899 SD MET A 60 -16.416 5.313 4.179 1.00 0.00 S ATOM 900 CE MET A 60 -17.096 3.820 3.463 1.00 0.00 C ATOM 0 H MET A 60 -15.135 5.859 -0.136 1.00 0.00 H new ATOM 0 HA MET A 60 -15.104 7.323 2.330 1.00 0.00 H new ATOM 0 HB2 MET A 60 -15.280 4.712 1.690 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.545 4.795 1.923 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.294 4.212 4.043 1.00 0.00 H new ATOM 0 HG3 MET A 60 -14.107 5.948 4.187 1.00 0.00 H new ATOM 0 HE1 MET A 60 -17.981 3.518 4.023 1.00 0.00 H new ATOM 0 HE2 MET A 60 -17.370 4.006 2.425 1.00 0.00 H new ATOM 0 HE3 MET A 60 -16.352 3.025 3.505 1.00 0.00 H new ATOM 910 N ASP A 61 -12.918 8.481 1.149 1.00 0.00 N ATOM 911 CA ASP A 61 -11.625 9.143 1.069 1.00 0.00 C ATOM 912 C ASP A 61 -10.637 8.278 0.307 1.00 0.00 C ATOM 913 O ASP A 61 -10.345 8.525 -0.857 1.00 0.00 O ATOM 914 CB ASP A 61 -11.084 9.444 2.463 1.00 0.00 C ATOM 915 CG ASP A 61 -11.174 10.915 2.815 1.00 0.00 C ATOM 916 OD1 ASP A 61 -12.228 11.339 3.331 1.00 0.00 O ATOM 917 OD2 ASP A 61 -10.189 11.643 2.572 1.00 0.00 O ATOM 0 H ASP A 61 -13.689 9.028 0.767 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.758 10.085 0.537 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.640 8.863 3.198 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.044 9.122 2.523 1.00 0.00 H new ATOM 922 N GLY A 62 -10.137 7.255 0.978 1.00 0.00 N ATOM 923 CA GLY A 62 -9.195 6.353 0.363 1.00 0.00 C ATOM 924 C GLY A 62 -9.312 4.947 0.907 1.00 0.00 C ATOM 925 O GLY A 62 -9.092 3.979 0.179 1.00 0.00 O ATOM 0 H GLY A 62 -10.370 7.033 1.946 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.359 6.339 -0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.182 6.721 0.527 1.00 0.00 H new ATOM 929 N LEU A 63 -9.679 4.821 2.186 1.00 0.00 N ATOM 930 CA LEU A 63 -9.835 3.502 2.786 1.00 0.00 C ATOM 931 C LEU A 63 -10.747 2.655 1.908 1.00 0.00 C ATOM 932 O LEU A 63 -10.607 1.434 1.840 1.00 0.00 O ATOM 933 CB LEU A 63 -10.400 3.580 4.212 1.00 0.00 C ATOM 934 CG LEU A 63 -9.642 4.490 5.183 1.00 0.00 C ATOM 935 CD1 LEU A 63 -10.219 5.896 5.168 1.00 0.00 C ATOM 936 CD2 LEU A 63 -9.671 3.919 6.594 1.00 0.00 C ATOM 0 H LEU A 63 -9.870 5.603 2.812 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.849 3.043 2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.433 3.923 4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.421 2.573 4.629 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.604 4.541 4.854 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.665 6.524 5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.139 6.311 4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.267 5.862 5.465 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.126 4.582 7.266 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.704 3.831 6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.203 2.935 6.598 1.00 0.00 H new ATOM 948 N ALA A 64 -11.667 3.324 1.209 1.00 0.00 N ATOM 949 CA ALA A 64 -12.582 2.639 0.306 1.00 0.00 C ATOM 950 C ALA A 64 -11.794 1.824 -0.712 1.00 0.00 C ATOM 951 O ALA A 64 -12.232 0.760 -1.152 1.00 0.00 O ATOM 952 CB ALA A 64 -13.483 3.644 -0.397 1.00 0.00 C ATOM 0 H ALA A 64 -11.794 4.335 1.254 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.210 1.962 0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -14.161 3.117 -1.068 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.062 4.195 0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.872 4.341 -0.971 1.00 0.00 H new ATOM 958 N LEU A 65 -10.618 2.333 -1.072 1.00 0.00 N ATOM 959 CA LEU A 65 -9.745 1.666 -2.027 1.00 0.00 C ATOM 960 C LEU A 65 -9.429 0.251 -1.564 1.00 0.00 C ATOM 961 O LEU A 65 -9.474 -0.695 -2.349 1.00 0.00 O ATOM 962 CB LEU A 65 -8.451 2.461 -2.198 1.00 0.00 C ATOM 963 CG LEU A 65 -8.644 3.902 -2.669 1.00 0.00 C ATOM 964 CD1 LEU A 65 -7.459 4.768 -2.268 1.00 0.00 C ATOM 965 CD2 LEU A 65 -8.859 3.937 -4.174 1.00 0.00 C ATOM 0 H LEU A 65 -10.248 3.213 -0.712 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.259 1.611 -2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.919 2.472 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.813 1.942 -2.913 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.531 4.309 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.620 5.789 -2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.357 4.765 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.549 4.371 -2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.995 4.969 -4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.990 3.511 -4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.746 3.357 -4.428 1.00 0.00 H new ATOM 977 N LEU A 66 -9.120 0.114 -0.280 1.00 0.00 N ATOM 978 CA LEU A 66 -8.809 -1.187 0.292 1.00 0.00 C ATOM 979 C LEU A 66 -10.001 -2.124 0.142 1.00 0.00 C ATOM 980 O LEU A 66 -9.852 -3.284 -0.239 1.00 0.00 O ATOM 981 CB LEU A 66 -8.430 -1.036 1.767 1.00 0.00 C ATOM 982 CG LEU A 66 -7.375 0.033 2.050 1.00 0.00 C ATOM 983 CD1 LEU A 66 -7.214 0.248 3.545 1.00 0.00 C ATOM 984 CD2 LEU A 66 -6.048 -0.351 1.416 1.00 0.00 C ATOM 0 H LEU A 66 -9.079 0.888 0.383 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.961 -1.615 -0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.329 -0.800 2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.063 -1.995 2.134 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.709 0.971 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.458 1.013 3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.164 0.571 3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.904 -0.685 4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.307 0.420 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.709 -1.301 1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.174 -0.448 0.338 1.00 0.00 H new ATOM 996 N LYS A 67 -11.186 -1.600 0.437 1.00 0.00 N ATOM 997 CA LYS A 67 -12.422 -2.371 0.330 1.00 0.00 C ATOM 998 C LYS A 67 -12.522 -3.070 -1.025 1.00 0.00 C ATOM 999 O LYS A 67 -12.946 -4.220 -1.112 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.623 -1.452 0.527 1.00 0.00 C ATOM 1001 CG LYS A 67 -13.572 -0.668 1.830 1.00 0.00 C ATOM 1002 CD LYS A 67 -14.964 -0.373 2.365 1.00 0.00 C ATOM 1003 CE LYS A 67 -15.051 -0.638 3.860 1.00 0.00 C ATOM 1004 NZ LYS A 67 -16.320 -0.127 4.444 1.00 0.00 N ATOM 0 H LYS A 67 -11.318 -0.639 0.754 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.414 -3.135 1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.678 -0.753 -0.308 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.535 -2.048 0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.009 -1.233 2.573 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.038 0.269 1.670 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.220 0.667 2.163 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.695 -0.989 1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.973 -1.710 4.043 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.206 -0.167 4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.338 -0.328 5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.383 0.900 4.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.127 -0.595 3.984 1.00 0.00 H new ATOM 1018 N GLN A 68 -12.129 -2.369 -2.079 1.00 0.00 N ATOM 1019 CA GLN A 68 -12.170 -2.932 -3.424 1.00 0.00 C ATOM 1020 C GLN A 68 -11.106 -4.014 -3.578 1.00 0.00 C ATOM 1021 O GLN A 68 -11.305 -5.009 -4.273 1.00 0.00 O ATOM 1022 CB GLN A 68 -11.941 -1.850 -4.486 1.00 0.00 C ATOM 1023 CG GLN A 68 -12.620 -0.523 -4.188 1.00 0.00 C ATOM 1024 CD GLN A 68 -14.088 -0.522 -4.564 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -14.922 -1.092 -3.860 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -14.412 0.122 -5.680 1.00 0.00 N ATOM 0 H GLN A 68 -11.779 -1.412 -2.031 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.160 -3.364 -3.569 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.869 -1.681 -4.589 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -12.299 -2.220 -5.447 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.521 -0.299 -3.126 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.109 0.272 -4.731 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.688 0.581 -6.233 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.385 0.158 -5.984 1.00 0.00 H new ATOM 1035 N ILE A 69 -9.969 -3.790 -2.928 1.00 0.00 N ATOM 1036 CA ILE A 69 -8.845 -4.717 -2.983 1.00 0.00 C ATOM 1037 C ILE A 69 -9.198 -6.082 -2.400 1.00 0.00 C ATOM 1038 O ILE A 69 -8.800 -7.119 -2.932 1.00 0.00 O ATOM 1039 CB ILE A 69 -7.628 -4.131 -2.237 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -7.208 -2.810 -2.882 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -6.465 -5.112 -2.225 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -6.287 -1.976 -2.018 1.00 0.00 C ATOM 0 H ILE A 69 -9.801 -2.966 -2.351 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.596 -4.858 -4.035 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.917 -3.946 -1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.711 -3.020 -3.829 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.101 -2.229 -3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.622 -4.671 -1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.770 -6.031 -1.725 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.169 -5.338 -3.249 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.032 -1.055 -2.542 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.788 -1.734 -1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.377 -2.538 -1.809 1.00 0.00 H new ATOM 1054 N LYS A 70 -9.935 -6.071 -1.305 1.00 0.00 N ATOM 1055 CA LYS A 70 -10.335 -7.302 -0.638 1.00 0.00 C ATOM 1056 C LYS A 70 -11.466 -8.003 -1.380 1.00 0.00 C ATOM 1057 O LYS A 70 -11.638 -9.216 -1.267 1.00 0.00 O ATOM 1058 CB LYS A 70 -10.759 -7.006 0.799 1.00 0.00 C ATOM 1059 CG LYS A 70 -12.016 -6.158 0.899 1.00 0.00 C ATOM 1060 CD LYS A 70 -13.241 -6.997 1.227 1.00 0.00 C ATOM 1061 CE LYS A 70 -13.250 -7.432 2.683 1.00 0.00 C ATOM 1062 NZ LYS A 70 -13.645 -8.859 2.835 1.00 0.00 N ATOM 0 H LYS A 70 -10.272 -5.220 -0.855 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.474 -7.971 -0.633 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.924 -7.948 1.322 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.944 -6.495 1.312 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.881 -5.397 1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.176 -5.634 -0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.143 -6.424 1.013 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.262 -7.877 0.584 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.259 -7.282 3.113 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.940 -6.803 3.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.639 -9.116 3.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.601 -8.998 2.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.972 -9.462 2.320 1.00 0.00 H new ATOM 1076 N GLN A 71 -12.237 -7.233 -2.134 1.00 0.00 N ATOM 1077 CA GLN A 71 -13.353 -7.780 -2.887 1.00 0.00 C ATOM 1078 C GLN A 71 -12.872 -8.371 -4.209 1.00 0.00 C ATOM 1079 O GLN A 71 -13.394 -9.383 -4.678 1.00 0.00 O ATOM 1080 CB GLN A 71 -14.417 -6.687 -3.101 1.00 0.00 C ATOM 1081 CG GLN A 71 -15.229 -6.807 -4.389 1.00 0.00 C ATOM 1082 CD GLN A 71 -15.248 -5.514 -5.184 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -14.105 -4.835 -5.244 1.00 0.00 O flip ATOM 1084 NE2 GLN A 71 -16.277 -5.131 -5.741 1.00 0.00 N flip ATOM 0 H GLN A 71 -12.109 -6.227 -2.240 1.00 0.00 H new ATOM 0 HA GLN A 71 -13.809 -8.592 -2.321 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -15.104 -6.702 -2.255 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -13.923 -5.716 -3.092 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -14.812 -7.603 -5.005 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -16.251 -7.095 -4.145 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -17.132 -5.683 -5.669 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -16.275 -4.262 -6.275 1.00 0.00 H new ATOM 1093 N ARG A 72 -11.882 -7.727 -4.805 1.00 0.00 N ATOM 1094 CA ARG A 72 -11.334 -8.181 -6.078 1.00 0.00 C ATOM 1095 C ARG A 72 -10.138 -9.109 -5.880 1.00 0.00 C ATOM 1096 O ARG A 72 -9.836 -9.934 -6.742 1.00 0.00 O ATOM 1097 CB ARG A 72 -10.931 -6.983 -6.943 1.00 0.00 C ATOM 1098 CG ARG A 72 -12.112 -6.280 -7.594 1.00 0.00 C ATOM 1099 CD ARG A 72 -11.732 -5.666 -8.932 1.00 0.00 C ATOM 1100 NE ARG A 72 -11.239 -6.667 -9.876 1.00 0.00 N ATOM 1101 CZ ARG A 72 -12.028 -7.430 -10.631 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -13.348 -7.317 -10.553 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -11.492 -8.311 -11.466 1.00 0.00 N ATOM 0 H ARG A 72 -11.440 -6.888 -4.430 1.00 0.00 H new ATOM 0 HA ARG A 72 -12.115 -8.746 -6.587 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.387 -6.267 -6.327 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.246 -7.321 -7.720 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.925 -6.992 -7.738 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -12.484 -5.501 -6.928 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.599 -5.162 -9.359 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.966 -4.906 -8.777 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.230 -6.789 -9.962 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.765 -6.642 -9.912 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.945 -7.905 -11.134 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.478 -8.403 -11.529 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.094 -8.896 -12.045 1.00 0.00 H new ATOM 1117 N HIS A 73 -9.455 -8.964 -4.752 1.00 0.00 N ATOM 1118 CA HIS A 73 -8.283 -9.788 -4.460 1.00 0.00 C ATOM 1119 C HIS A 73 -8.432 -10.524 -3.127 1.00 0.00 C ATOM 1120 O HIS A 73 -9.150 -10.074 -2.234 1.00 0.00 O ATOM 1121 CB HIS A 73 -7.032 -8.909 -4.484 1.00 0.00 C ATOM 1122 CG HIS A 73 -7.043 -7.976 -5.650 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -7.198 -6.635 -5.713 1.00 0.00 N flip ATOM 1124 CD2 HIS A 73 -6.964 -8.415 -6.955 1.00 0.00 C flip ATOM 1125 CE1 HIS A 73 -7.215 -6.290 -7.041 1.00 0.00 C flip ATOM 1126 NE2 HIS A 73 -7.073 -7.383 -7.770 1.00 0.00 N flip ATOM 0 H HIS A 73 -9.689 -8.287 -4.025 1.00 0.00 H new ATOM 0 HA HIS A 73 -8.188 -10.557 -5.227 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.970 -8.336 -3.559 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.144 -9.539 -4.529 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.833 -9.442 -7.262 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -7.326 -5.288 -7.428 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -7.051 -7.422 -8.789 1.00 0.00 H new ATOM 1135 N PRO A 74 -7.766 -11.688 -2.988 1.00 0.00 N ATOM 1136 CA PRO A 74 -7.837 -12.512 -1.775 1.00 0.00 C ATOM 1137 C PRO A 74 -7.559 -11.722 -0.498 1.00 0.00 C ATOM 1138 O PRO A 74 -8.491 -11.288 0.180 1.00 0.00 O ATOM 1139 CB PRO A 74 -6.767 -13.596 -1.998 1.00 0.00 C ATOM 1140 CG PRO A 74 -5.973 -13.142 -3.179 1.00 0.00 C ATOM 1141 CD PRO A 74 -6.905 -12.305 -4.005 1.00 0.00 C ATOM 0 HA PRO A 74 -8.838 -12.917 -1.629 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -6.133 -13.707 -1.119 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.226 -14.567 -2.184 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -5.103 -12.564 -2.866 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.602 -13.993 -3.750 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -6.369 -11.558 -4.590 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -7.477 -12.910 -4.708 1.00 0.00 H new ATOM 1149 N MET A 75 -6.284 -11.545 -0.164 1.00 0.00 N ATOM 1150 CA MET A 75 -5.913 -10.815 1.041 1.00 0.00 C ATOM 1151 C MET A 75 -4.675 -9.960 0.804 1.00 0.00 C ATOM 1152 O MET A 75 -3.713 -10.022 1.570 1.00 0.00 O ATOM 1153 CB MET A 75 -5.658 -11.791 2.195 1.00 0.00 C ATOM 1154 CG MET A 75 -6.884 -12.597 2.603 1.00 0.00 C ATOM 1155 SD MET A 75 -6.540 -14.362 2.749 1.00 0.00 S ATOM 1156 CE MET A 75 -8.188 -15.046 2.583 1.00 0.00 C ATOM 0 H MET A 75 -5.495 -11.895 -0.708 1.00 0.00 H new ATOM 0 HA MET A 75 -6.741 -10.156 1.304 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.862 -12.478 1.908 1.00 0.00 H new ATOM 0 HB3 MET A 75 -5.299 -11.231 3.059 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.258 -12.224 3.556 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.675 -12.445 1.868 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.140 -16.133 2.652 1.00 0.00 H new ATOM 0 HE2 MET A 75 -8.824 -14.659 3.379 1.00 0.00 H new ATOM 0 HE3 MET A 75 -8.604 -14.762 1.616 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.701 -9.157 -0.254 1.00 0.00 N ATOM 1167 CA LEU A 76 -3.571 -8.294 -0.569 1.00 0.00 C ATOM 1168 C LEU A 76 -3.308 -7.313 0.569 1.00 0.00 C ATOM 1169 O LEU A 76 -4.098 -6.397 0.799 1.00 0.00 O ATOM 1170 CB LEU A 76 -3.826 -7.519 -1.861 1.00 0.00 C ATOM 1171 CG LEU A 76 -2.784 -6.451 -2.184 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -1.418 -7.088 -2.379 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -3.200 -5.681 -3.422 1.00 0.00 C ATOM 0 H LEU A 76 -5.485 -9.086 -0.902 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.695 -8.928 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.870 -8.226 -2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.805 -7.044 -1.796 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.718 -5.755 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.685 -6.314 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.125 -7.606 -1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.463 -7.801 -3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.452 -4.921 -3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.285 -6.366 -4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.163 -5.201 -3.246 1.00 0.00 H new ATOM 1185 N PRO A 77 -2.191 -7.478 1.296 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.843 -6.584 2.400 1.00 0.00 C ATOM 1187 C PRO A 77 -1.570 -5.168 1.908 1.00 0.00 C ATOM 1188 O PRO A 77 -0.625 -4.937 1.154 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.570 -7.205 2.986 1.00 0.00 C ATOM 1190 CG PRO A 77 -0.003 -8.032 1.883 1.00 0.00 C ATOM 1191 CD PRO A 77 -1.180 -8.531 1.096 1.00 0.00 C ATOM 0 HA PRO A 77 -2.650 -6.493 3.127 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.134 -6.436 3.305 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.795 -7.815 3.861 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.664 -7.441 1.255 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.583 -8.862 2.278 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.934 -8.658 0.042 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.528 -9.497 1.461 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.406 -4.223 2.331 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.247 -2.835 1.919 1.00 0.00 C ATOM 1201 C VAL A 78 -1.744 -1.968 3.062 1.00 0.00 C ATOM 1202 O VAL A 78 -1.953 -2.268 4.242 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.560 -2.225 1.388 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.270 -0.955 0.601 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.325 -3.225 0.529 1.00 0.00 C ATOM 0 H VAL A 78 -3.195 -4.393 2.955 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.512 -2.850 1.114 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.187 -1.973 2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.205 -0.534 0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.777 -0.230 1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.620 -1.190 -0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.246 -2.766 0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.710 -3.520 -0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.567 -4.106 1.124 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.081 -0.883 2.693 1.00 0.00 N ATOM 1216 CA ILE A 79 -0.542 0.052 3.660 1.00 0.00 C ATOM 1217 C ILE A 79 -0.929 1.473 3.287 1.00 0.00 C ATOM 1218 O ILE A 79 -0.565 1.972 2.225 1.00 0.00 O ATOM 1219 CB ILE A 79 0.984 -0.046 3.739 1.00 0.00 C ATOM 1220 CG1 ILE A 79 1.425 -1.501 3.877 1.00 0.00 C ATOM 1221 CG2 ILE A 79 1.514 0.783 4.895 1.00 0.00 C ATOM 1222 CD1 ILE A 79 2.587 -1.851 2.982 1.00 0.00 C ATOM 0 H ILE A 79 -0.904 -0.630 1.721 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.960 -0.204 4.634 1.00 0.00 H new ATOM 0 HB ILE A 79 1.399 0.351 2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.701 -1.695 4.914 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.584 -2.154 3.643 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.600 0.700 4.934 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.235 1.827 4.752 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.088 0.418 5.830 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.854 -2.898 3.125 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.307 -1.687 1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.441 -1.221 3.231 1.00 0.00 H new ATOM 1234 N ILE A 80 -1.686 2.112 4.153 1.00 0.00 N ATOM 1235 CA ILE A 80 -2.145 3.465 3.900 1.00 0.00 C ATOM 1236 C ILE A 80 -1.209 4.511 4.509 1.00 0.00 C ATOM 1237 O ILE A 80 -0.653 4.306 5.586 1.00 0.00 O ATOM 1238 CB ILE A 80 -3.564 3.649 4.464 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -4.478 2.520 3.984 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -4.126 4.995 4.070 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.641 2.468 2.482 1.00 0.00 C ATOM 0 H ILE A 80 -1.998 1.717 5.040 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.151 3.614 2.820 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.510 3.611 5.552 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.077 1.567 4.330 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.459 2.639 4.443 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.130 5.104 4.479 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.486 5.785 4.463 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.167 5.068 2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.302 1.643 2.216 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.071 3.406 2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.667 2.318 2.015 1.00 0.00 H new ATOM 1253 N MET A 81 -1.038 5.631 3.804 1.00 0.00 N ATOM 1254 CA MET A 81 -0.164 6.709 4.274 1.00 0.00 C ATOM 1255 C MET A 81 -0.946 7.777 5.046 1.00 0.00 C ATOM 1256 O MET A 81 -0.351 8.673 5.637 1.00 0.00 O ATOM 1257 CB MET A 81 0.599 7.367 3.114 1.00 0.00 C ATOM 1258 CG MET A 81 -0.131 7.369 1.779 1.00 0.00 C ATOM 1259 SD MET A 81 0.657 6.296 0.562 1.00 0.00 S ATOM 1260 CE MET A 81 2.263 7.077 0.418 1.00 0.00 C ATOM 0 H MET A 81 -1.491 5.815 2.909 1.00 0.00 H new ATOM 0 HA MET A 81 0.557 6.249 4.950 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.826 8.397 3.387 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.552 6.853 2.989 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.161 7.046 1.931 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.170 8.387 1.391 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.924 6.444 -0.174 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.154 8.045 -0.071 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.690 7.218 1.411 1.00 0.00 H new ATOM 1270 N THR A 82 -2.275 7.682 5.047 1.00 0.00 N ATOM 1271 CA THR A 82 -3.105 8.654 5.764 1.00 0.00 C ATOM 1272 C THR A 82 -4.375 8.006 6.308 1.00 0.00 C ATOM 1273 O THR A 82 -5.111 7.352 5.578 1.00 0.00 O ATOM 1274 CB THR A 82 -3.466 9.825 4.843 1.00 0.00 C ATOM 1275 OG1 THR A 82 -2.363 10.193 4.032 1.00 0.00 O ATOM 1276 CG2 THR A 82 -3.915 11.058 5.598 1.00 0.00 C ATOM 0 H THR A 82 -2.798 6.950 4.565 1.00 0.00 H new ATOM 0 HA THR A 82 -2.527 9.027 6.609 1.00 0.00 H new ATOM 0 HB THR A 82 -4.295 9.466 4.233 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.562 11.034 3.571 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.156 11.851 4.890 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.798 10.820 6.191 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.114 11.392 6.258 1.00 0.00 H new ATOM 1284 N ALA A 83 -4.643 8.208 7.594 1.00 0.00 N ATOM 1285 CA ALA A 83 -5.839 7.648 8.210 1.00 0.00 C ATOM 1286 C ALA A 83 -6.780 8.756 8.675 1.00 0.00 C ATOM 1287 O ALA A 83 -6.726 9.188 9.826 1.00 0.00 O ATOM 1288 CB ALA A 83 -5.481 6.732 9.368 1.00 0.00 C ATOM 0 H ALA A 83 -4.053 8.751 8.225 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.354 7.054 7.455 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.393 6.329 9.808 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.860 5.913 9.005 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.933 7.296 10.122 1.00 0.00 H new ATOM 1294 N HIS A 84 -7.632 9.217 7.766 1.00 0.00 N ATOM 1295 CA HIS A 84 -8.583 10.283 8.078 1.00 0.00 C ATOM 1296 C HIS A 84 -9.622 9.808 9.093 1.00 0.00 C ATOM 1297 O HIS A 84 -9.398 8.833 9.809 1.00 0.00 O ATOM 1298 CB HIS A 84 -9.287 10.758 6.802 1.00 0.00 C ATOM 1299 CG HIS A 84 -8.365 10.980 5.646 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -7.560 12.093 5.529 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -8.127 10.228 4.545 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -6.867 12.016 4.408 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -7.193 10.894 3.794 1.00 0.00 N ATOM 0 H HIS A 84 -7.685 8.871 6.808 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.027 11.114 8.512 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.038 10.021 6.518 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.816 11.687 7.015 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -8.587 9.281 4.304 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -6.155 12.747 4.054 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -6.811 10.574 2.904 1.00 0.00 H new ATOM 1312 N SER A 85 -10.758 10.504 9.155 1.00 0.00 N ATOM 1313 CA SER A 85 -11.824 10.157 10.090 1.00 0.00 C ATOM 1314 C SER A 85 -12.739 9.071 9.525 1.00 0.00 C ATOM 1315 O SER A 85 -13.941 9.061 9.795 1.00 0.00 O ATOM 1316 CB SER A 85 -12.645 11.400 10.433 1.00 0.00 C ATOM 1317 OG SER A 85 -12.880 11.487 11.827 1.00 0.00 O ATOM 0 H SER A 85 -10.962 11.312 8.567 1.00 0.00 H new ATOM 0 HA SER A 85 -11.357 9.766 10.994 1.00 0.00 H new ATOM 0 HB2 SER A 85 -12.119 12.292 10.093 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.596 11.369 9.902 1.00 0.00 H new ATOM 0 HG SER A 85 -13.406 12.291 12.021 1.00 0.00 H new ATOM 1323 N ASP A 86 -12.166 8.156 8.755 1.00 0.00 N ATOM 1324 CA ASP A 86 -12.928 7.065 8.167 1.00 0.00 C ATOM 1325 C ASP A 86 -12.302 5.722 8.535 1.00 0.00 C ATOM 1326 O ASP A 86 -12.440 4.738 7.810 1.00 0.00 O ATOM 1327 CB ASP A 86 -12.988 7.222 6.645 1.00 0.00 C ATOM 1328 CG ASP A 86 -13.883 8.367 6.216 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -13.574 9.526 6.567 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -14.890 8.107 5.524 1.00 0.00 O ATOM 0 H ASP A 86 -11.173 8.149 8.523 1.00 0.00 H new ATOM 0 HA ASP A 86 -13.943 7.096 8.563 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -11.982 7.387 6.260 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.351 6.295 6.201 1.00 0.00 H new ATOM 1335 N LEU A 87 -11.611 5.700 9.677 1.00 0.00 N ATOM 1336 CA LEU A 87 -10.942 4.496 10.175 1.00 0.00 C ATOM 1337 C LEU A 87 -11.821 3.251 10.062 1.00 0.00 C ATOM 1338 O LEU A 87 -11.317 2.127 10.061 1.00 0.00 O ATOM 1339 CB LEU A 87 -10.511 4.702 11.631 1.00 0.00 C ATOM 1340 CG LEU A 87 -9.003 4.858 11.850 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -8.270 3.594 11.435 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.472 6.063 11.087 1.00 0.00 C ATOM 0 H LEU A 87 -11.500 6.514 10.281 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.065 4.330 9.549 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.012 5.589 12.019 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.862 3.855 12.220 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.826 5.023 12.913 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.200 3.724 11.598 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.628 2.754 12.030 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.455 3.396 10.379 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.399 6.157 11.256 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.662 5.932 10.022 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.974 6.965 11.436 1.00 0.00 H new ATOM 1354 N ASP A 88 -13.133 3.448 9.977 1.00 0.00 N ATOM 1355 CA ASP A 88 -14.071 2.332 9.879 1.00 0.00 C ATOM 1356 C ASP A 88 -13.627 1.323 8.824 1.00 0.00 C ATOM 1357 O ASP A 88 -13.613 0.117 9.078 1.00 0.00 O ATOM 1358 CB ASP A 88 -15.472 2.845 9.543 1.00 0.00 C ATOM 1359 CG ASP A 88 -16.543 1.806 9.803 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -16.773 0.955 8.919 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -17.154 1.844 10.892 1.00 0.00 O ATOM 0 H ASP A 88 -13.572 4.369 9.974 1.00 0.00 H new ATOM 0 HA ASP A 88 -14.090 1.830 10.846 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.682 3.736 10.135 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.505 3.144 8.495 1.00 0.00 H new ATOM 1366 N ALA A 89 -13.259 1.813 7.646 1.00 0.00 N ATOM 1367 CA ALA A 89 -12.813 0.940 6.573 1.00 0.00 C ATOM 1368 C ALA A 89 -11.425 0.381 6.867 1.00 0.00 C ATOM 1369 O ALA A 89 -11.041 -0.665 6.342 1.00 0.00 O ATOM 1370 CB ALA A 89 -12.828 1.677 5.243 1.00 0.00 C ATOM 0 H ALA A 89 -13.261 2.806 7.413 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.506 0.101 6.507 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -12.491 1.007 4.452 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -13.841 2.014 5.025 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.162 2.539 5.297 1.00 0.00 H new ATOM 1376 N ALA A 90 -10.682 1.079 7.722 1.00 0.00 N ATOM 1377 CA ALA A 90 -9.344 0.646 8.100 1.00 0.00 C ATOM 1378 C ALA A 90 -9.413 -0.634 8.916 1.00 0.00 C ATOM 1379 O ALA A 90 -8.700 -1.599 8.642 1.00 0.00 O ATOM 1380 CB ALA A 90 -8.632 1.729 8.899 1.00 0.00 C ATOM 0 H ALA A 90 -10.986 1.946 8.165 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.779 0.457 7.187 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.634 1.384 9.171 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.551 2.633 8.295 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.200 1.946 9.804 1.00 0.00 H new ATOM 1386 N VAL A 91 -10.279 -0.632 9.926 1.00 0.00 N ATOM 1387 CA VAL A 91 -10.444 -1.793 10.787 1.00 0.00 C ATOM 1388 C VAL A 91 -10.834 -3.023 9.978 1.00 0.00 C ATOM 1389 O VAL A 91 -10.229 -4.086 10.115 1.00 0.00 O ATOM 1390 CB VAL A 91 -11.494 -1.552 11.884 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -11.432 -2.666 12.918 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -11.282 -0.193 12.537 1.00 0.00 C ATOM 0 H VAL A 91 -10.875 0.160 10.166 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.480 -1.965 11.265 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.485 -1.556 11.430 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.179 -2.487 13.691 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.632 -3.622 12.435 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.440 -2.688 13.370 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.034 -0.040 13.311 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.289 -0.155 12.984 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -11.371 0.590 11.784 1.00 0.00 H new ATOM 1402 N SER A 92 -11.836 -2.868 9.120 1.00 0.00 N ATOM 1403 CA SER A 92 -12.287 -3.966 8.277 1.00 0.00 C ATOM 1404 C SER A 92 -11.144 -4.439 7.385 1.00 0.00 C ATOM 1405 O SER A 92 -11.061 -5.614 7.014 1.00 0.00 O ATOM 1406 CB SER A 92 -13.475 -3.526 7.417 1.00 0.00 C ATOM 1407 OG SER A 92 -13.447 -2.129 7.183 1.00 0.00 O ATOM 0 H SER A 92 -12.349 -1.996 8.991 1.00 0.00 H new ATOM 0 HA SER A 92 -12.606 -4.789 8.916 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.455 -4.057 6.466 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.407 -3.796 7.914 1.00 0.00 H new ATOM 0 HG SER A 92 -12.589 -1.882 6.779 1.00 0.00 H new ATOM 1413 N ALA A 93 -10.255 -3.508 7.051 1.00 0.00 N ATOM 1414 CA ALA A 93 -9.112 -3.813 6.210 1.00 0.00 C ATOM 1415 C ALA A 93 -8.251 -4.902 6.829 1.00 0.00 C ATOM 1416 O ALA A 93 -7.757 -5.789 6.138 1.00 0.00 O ATOM 1417 CB ALA A 93 -8.292 -2.559 5.958 1.00 0.00 C ATOM 0 H ALA A 93 -10.308 -2.535 7.353 1.00 0.00 H new ATOM 0 HA ALA A 93 -9.483 -4.184 5.255 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.438 -2.803 5.326 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.911 -1.813 5.459 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.937 -2.159 6.908 1.00 0.00 H new ATOM 1423 N TYR A 94 -8.086 -4.834 8.138 1.00 0.00 N ATOM 1424 CA TYR A 94 -7.294 -5.823 8.857 1.00 0.00 C ATOM 1425 C TYR A 94 -7.902 -7.210 8.696 1.00 0.00 C ATOM 1426 O TYR A 94 -7.226 -8.223 8.876 1.00 0.00 O ATOM 1427 CB TYR A 94 -7.205 -5.468 10.341 1.00 0.00 C ATOM 1428 CG TYR A 94 -6.750 -4.051 10.598 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -5.557 -3.578 10.069 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -7.513 -3.186 11.371 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -5.138 -2.282 10.301 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -7.100 -1.888 11.608 1.00 0.00 C ATOM 1433 CZ TYR A 94 -5.913 -1.442 11.070 1.00 0.00 C ATOM 1434 OH TYR A 94 -5.499 -0.149 11.302 1.00 0.00 O ATOM 0 H TYR A 94 -8.489 -4.105 8.727 1.00 0.00 H new ATOM 0 HA TYR A 94 -6.289 -5.823 8.435 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.182 -5.616 10.800 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.516 -6.156 10.830 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.946 -4.234 9.466 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.444 -3.533 11.794 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.207 -1.929 9.881 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.705 -1.227 12.212 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.160 0.311 11.861 1.00 0.00 H new ATOM 1444 N GLN A 95 -9.186 -7.245 8.357 1.00 0.00 N ATOM 1445 CA GLN A 95 -9.893 -8.506 8.174 1.00 0.00 C ATOM 1446 C GLN A 95 -9.496 -9.161 6.852 1.00 0.00 C ATOM 1447 O GLN A 95 -9.289 -10.372 6.787 1.00 0.00 O ATOM 1448 CB GLN A 95 -11.416 -8.281 8.259 1.00 0.00 C ATOM 1449 CG GLN A 95 -12.154 -8.282 6.921 1.00 0.00 C ATOM 1450 CD GLN A 95 -13.249 -7.240 6.857 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -13.279 -6.487 5.763 1.00 0.00 O flip ATOM 1452 NE2 GLN A 95 -14.059 -7.114 7.775 1.00 0.00 N flip ATOM 0 H GLN A 95 -9.758 -6.414 8.204 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.609 -9.188 8.975 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.846 -9.057 8.892 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.598 -7.327 8.755 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.440 -8.103 6.117 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.586 -9.268 6.750 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.997 -7.716 8.596 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -14.793 -6.408 7.714 1.00 0.00 H new ATOM 1461 N GLN A 96 -9.401 -8.354 5.801 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.041 -8.862 4.485 1.00 0.00 C ATOM 1463 C GLN A 96 -7.543 -9.143 4.375 1.00 0.00 C ATOM 1464 O GLN A 96 -7.105 -9.837 3.458 1.00 0.00 O ATOM 1465 CB GLN A 96 -9.483 -7.886 3.391 1.00 0.00 C ATOM 1466 CG GLN A 96 -8.702 -6.585 3.364 1.00 0.00 C ATOM 1467 CD GLN A 96 -9.609 -5.369 3.343 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -10.705 -5.390 3.902 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -9.158 -4.301 2.693 1.00 0.00 N ATOM 0 H GLN A 96 -9.568 -7.348 5.836 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.565 -9.808 4.346 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.385 -8.376 2.422 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.540 -7.659 3.528 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.052 -6.536 4.238 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.057 -6.569 2.486 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.243 -4.326 2.243 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.727 -3.456 2.644 1.00 0.00 H new ATOM 1478 N GLY A 97 -6.758 -8.619 5.315 1.00 0.00 N ATOM 1479 CA GLY A 97 -5.324 -8.853 5.289 1.00 0.00 C ATOM 1480 C GLY A 97 -4.500 -7.578 5.236 1.00 0.00 C ATOM 1481 O GLY A 97 -3.300 -7.628 4.969 1.00 0.00 O ATOM 0 H GLY A 97 -7.087 -8.041 6.088 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.041 -9.422 6.175 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.081 -9.469 4.423 1.00 0.00 H new ATOM 1485 N ALA A 98 -5.132 -6.435 5.495 1.00 0.00 N ATOM 1486 CA ALA A 98 -4.426 -5.157 5.474 1.00 0.00 C ATOM 1487 C ALA A 98 -3.227 -5.180 6.416 1.00 0.00 C ATOM 1488 O ALA A 98 -3.282 -5.792 7.483 1.00 0.00 O ATOM 1489 CB ALA A 98 -5.366 -4.025 5.853 1.00 0.00 C ATOM 0 H ALA A 98 -6.125 -6.368 5.720 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.063 -4.990 4.460 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.824 -3.080 5.832 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.192 -3.985 5.143 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.757 -4.197 6.856 1.00 0.00 H new ATOM 1495 N PHE A 99 -2.142 -4.518 6.021 1.00 0.00 N ATOM 1496 CA PHE A 99 -0.944 -4.483 6.846 1.00 0.00 C ATOM 1497 C PHE A 99 -1.108 -3.521 8.016 1.00 0.00 C ATOM 1498 O PHE A 99 -0.915 -3.901 9.171 1.00 0.00 O ATOM 1499 CB PHE A 99 0.279 -4.084 6.017 1.00 0.00 C ATOM 1500 CG PHE A 99 1.561 -4.109 6.801 1.00 0.00 C ATOM 1501 CD1 PHE A 99 2.087 -5.310 7.250 1.00 0.00 C ATOM 1502 CD2 PHE A 99 2.237 -2.934 7.094 1.00 0.00 C ATOM 1503 CE1 PHE A 99 3.263 -5.338 7.974 1.00 0.00 C ATOM 1504 CE2 PHE A 99 3.414 -2.958 7.817 1.00 0.00 C ATOM 1505 CZ PHE A 99 3.928 -4.162 8.258 1.00 0.00 C ATOM 0 H PHE A 99 -2.070 -4.004 5.143 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.791 -5.488 7.240 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.368 -4.759 5.166 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.126 -3.082 5.615 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.572 -6.234 7.032 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.839 -1.990 6.753 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.663 -6.281 8.318 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.932 -2.036 8.037 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.848 -4.183 8.824 1.00 0.00 H new ATOM 1515 N ASP A 100 -1.470 -2.273 7.716 1.00 0.00 N ATOM 1516 CA ASP A 100 -1.662 -1.261 8.760 1.00 0.00 C ATOM 1517 C ASP A 100 -1.904 0.123 8.162 1.00 0.00 C ATOM 1518 O ASP A 100 -2.168 0.259 6.968 1.00 0.00 O ATOM 1519 CB ASP A 100 -0.446 -1.207 9.699 1.00 0.00 C ATOM 1520 CG ASP A 100 -0.848 -1.080 11.155 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -1.821 -0.351 11.441 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -0.188 -1.706 12.011 1.00 0.00 O ATOM 0 H ASP A 100 -1.636 -1.939 6.767 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.545 -1.552 9.330 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.152 -2.108 9.567 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.185 -0.362 9.424 1.00 0.00 H new ATOM 1527 N TYR A 101 -1.804 1.148 9.006 1.00 0.00 N ATOM 1528 CA TYR A 101 -2.002 2.526 8.573 1.00 0.00 C ATOM 1529 C TYR A 101 -0.836 3.396 9.025 1.00 0.00 C ATOM 1530 O TYR A 101 -0.571 3.527 10.220 1.00 0.00 O ATOM 1531 CB TYR A 101 -3.324 3.084 9.116 1.00 0.00 C ATOM 1532 CG TYR A 101 -4.465 2.981 8.133 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -5.089 1.766 7.882 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -4.910 4.104 7.446 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -6.122 1.673 6.971 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -5.946 4.019 6.538 1.00 0.00 C ATOM 1537 CZ TYR A 101 -6.548 2.801 6.304 1.00 0.00 C ATOM 1538 OH TYR A 101 -7.573 2.707 5.392 1.00 0.00 O ATOM 0 H TYR A 101 -1.586 1.047 9.997 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.047 2.538 7.484 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.589 2.548 10.027 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.183 4.129 9.390 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.761 0.881 8.407 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.438 5.059 7.625 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -6.594 0.720 6.782 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.283 4.901 6.014 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.086 1.889 5.559 1.00 0.00 H new ATOM 1548 N LEU A 102 -0.139 3.979 8.058 1.00 0.00 N ATOM 1549 CA LEU A 102 1.008 4.830 8.342 1.00 0.00 C ATOM 1550 C LEU A 102 0.632 6.304 8.207 1.00 0.00 C ATOM 1551 O LEU A 102 0.035 6.705 7.213 1.00 0.00 O ATOM 1552 CB LEU A 102 2.156 4.492 7.383 1.00 0.00 C ATOM 1553 CG LEU A 102 3.375 5.418 7.454 1.00 0.00 C ATOM 1554 CD1 LEU A 102 4.368 4.911 8.489 1.00 0.00 C ATOM 1555 CD2 LEU A 102 4.038 5.536 6.084 1.00 0.00 C ATOM 0 H LEU A 102 -0.350 3.877 7.065 1.00 0.00 H new ATOM 0 HA LEU A 102 1.330 4.649 9.368 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.485 3.472 7.584 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.770 4.507 6.364 1.00 0.00 H new ATOM 0 HG LEU A 102 3.039 6.409 7.758 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.228 5.580 8.527 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.889 4.880 9.468 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.699 3.909 8.215 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.902 6.197 6.153 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.362 4.550 5.750 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.325 5.945 5.369 1.00 0.00 H new ATOM 1567 N PRO A 103 0.979 7.133 9.207 1.00 0.00 N ATOM 1568 CA PRO A 103 0.673 8.569 9.185 1.00 0.00 C ATOM 1569 C PRO A 103 1.046 9.213 7.850 1.00 0.00 C ATOM 1570 O PRO A 103 1.707 8.590 7.020 1.00 0.00 O ATOM 1571 CB PRO A 103 1.531 9.119 10.325 1.00 0.00 C ATOM 1572 CG PRO A 103 1.639 7.983 11.282 1.00 0.00 C ATOM 1573 CD PRO A 103 1.698 6.742 10.436 1.00 0.00 C ATOM 0 HA PRO A 103 -0.391 8.776 9.304 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.512 9.434 9.969 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.066 9.988 10.790 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.531 8.077 11.902 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.783 7.957 11.956 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.726 6.448 10.224 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.220 5.896 10.930 1.00 0.00 H new ATOM 1581 N LYS A 104 0.605 10.457 7.638 1.00 0.00 N ATOM 1582 CA LYS A 104 0.884 11.170 6.387 1.00 0.00 C ATOM 1583 C LYS A 104 2.331 10.987 5.933 1.00 0.00 C ATOM 1584 O LYS A 104 2.579 10.700 4.762 1.00 0.00 O ATOM 1585 CB LYS A 104 0.561 12.659 6.513 1.00 0.00 C ATOM 1586 CG LYS A 104 0.680 13.411 5.193 1.00 0.00 C ATOM 1587 CD LYS A 104 -0.160 12.768 4.093 1.00 0.00 C ATOM 1588 CE LYS A 104 0.699 12.290 2.927 1.00 0.00 C ATOM 1589 NZ LYS A 104 0.093 11.117 2.233 1.00 0.00 N ATOM 0 H LYS A 104 0.056 10.989 8.313 1.00 0.00 H new ATOM 0 HA LYS A 104 0.235 10.732 5.628 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.452 12.773 6.899 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.233 13.110 7.243 1.00 0.00 H new ATOM 0 HG2 LYS A 104 0.363 14.444 5.334 1.00 0.00 H new ATOM 0 HG3 LYS A 104 1.725 13.437 4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.714 11.925 4.505 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.896 13.486 3.731 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.830 13.105 2.215 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.691 12.023 3.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.801 10.360 2.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.719 10.770 2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.226 11.401 1.285 1.00 0.00 H new ATOM 1603 N PRO A 105 3.316 11.136 6.841 1.00 0.00 N ATOM 1604 CA PRO A 105 4.725 10.968 6.482 1.00 0.00 C ATOM 1605 C PRO A 105 4.925 9.703 5.657 1.00 0.00 C ATOM 1606 O PRO A 105 4.039 8.851 5.604 1.00 0.00 O ATOM 1607 CB PRO A 105 5.418 10.848 7.839 1.00 0.00 C ATOM 1608 CG PRO A 105 4.553 11.627 8.773 1.00 0.00 C ATOM 1609 CD PRO A 105 3.142 11.486 8.263 1.00 0.00 C ATOM 0 HA PRO A 105 5.114 11.785 5.874 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.501 9.807 8.151 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.430 11.253 7.805 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.638 11.246 9.791 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.854 12.674 8.799 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.597 10.711 8.802 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.579 12.412 8.381 1.00 0.00 H new ATOM 1617 N PHE A 106 6.061 9.593 4.980 1.00 0.00 N ATOM 1618 CA PHE A 106 6.304 8.439 4.132 1.00 0.00 C ATOM 1619 C PHE A 106 7.762 8.389 3.660 1.00 0.00 C ATOM 1620 O PHE A 106 8.612 7.821 4.340 1.00 0.00 O ATOM 1621 CB PHE A 106 5.327 8.488 2.949 1.00 0.00 C ATOM 1622 CG PHE A 106 4.941 7.148 2.392 1.00 0.00 C ATOM 1623 CD1 PHE A 106 3.947 6.380 2.992 1.00 0.00 C ATOM 1624 CD2 PHE A 106 5.561 6.664 1.251 1.00 0.00 C ATOM 1625 CE1 PHE A 106 3.590 5.157 2.457 1.00 0.00 C ATOM 1626 CE2 PHE A 106 5.203 5.445 0.715 1.00 0.00 C ATOM 1627 CZ PHE A 106 4.219 4.691 1.317 1.00 0.00 C ATOM 0 H PHE A 106 6.816 10.278 5.002 1.00 0.00 H new ATOM 0 HA PHE A 106 6.135 7.525 4.701 1.00 0.00 H new ATOM 0 HB2 PHE A 106 4.423 9.008 3.265 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.774 9.082 2.152 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.452 6.742 3.881 1.00 0.00 H new ATOM 0 HD2 PHE A 106 6.334 7.249 0.776 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.820 4.565 2.929 1.00 0.00 H new ATOM 0 HE2 PHE A 106 5.693 5.081 -0.176 1.00 0.00 H new ATOM 0 HZ PHE A 106 3.939 3.736 0.898 1.00 0.00 H new ATOM 1637 N ASP A 107 8.055 8.977 2.495 1.00 0.00 N ATOM 1638 CA ASP A 107 9.419 8.976 1.958 1.00 0.00 C ATOM 1639 C ASP A 107 10.066 7.598 2.113 1.00 0.00 C ATOM 1640 O ASP A 107 9.420 6.647 2.538 1.00 0.00 O ATOM 1641 CB ASP A 107 10.269 10.044 2.652 1.00 0.00 C ATOM 1642 CG ASP A 107 10.556 9.712 4.104 1.00 0.00 C ATOM 1643 OD1 ASP A 107 9.706 10.025 4.964 1.00 0.00 O ATOM 1644 OD2 ASP A 107 11.632 9.141 4.381 1.00 0.00 O ATOM 0 H ASP A 107 7.371 9.456 1.910 1.00 0.00 H new ATOM 0 HA ASP A 107 9.364 9.210 0.895 1.00 0.00 H new ATOM 0 HB2 ASP A 107 11.212 10.157 2.116 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.755 11.004 2.598 1.00 0.00 H new ATOM 1649 N ILE A 108 11.341 7.491 1.771 1.00 0.00 N ATOM 1650 CA ILE A 108 12.038 6.217 1.888 1.00 0.00 C ATOM 1651 C ILE A 108 12.207 5.826 3.346 1.00 0.00 C ATOM 1652 O ILE A 108 11.929 4.694 3.739 1.00 0.00 O ATOM 1653 CB ILE A 108 13.414 6.259 1.179 1.00 0.00 C ATOM 1654 CG1 ILE A 108 13.320 5.657 -0.220 1.00 0.00 C ATOM 1655 CG2 ILE A 108 14.485 5.530 1.976 1.00 0.00 C ATOM 1656 CD1 ILE A 108 12.098 6.096 -0.984 1.00 0.00 C ATOM 0 H ILE A 108 11.909 8.260 1.415 1.00 0.00 H new ATOM 0 HA ILE A 108 11.427 5.462 1.394 1.00 0.00 H new ATOM 0 HB ILE A 108 13.701 7.308 1.103 1.00 0.00 H new ATOM 0 HG12 ILE A 108 14.210 5.932 -0.786 1.00 0.00 H new ATOM 0 HG13 ILE A 108 13.317 4.570 -0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 108 15.434 5.583 1.443 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.591 5.997 2.955 1.00 0.00 H new ATOM 0 HG23 ILE A 108 14.198 4.486 2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.098 5.629 -1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.202 5.797 -0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.109 7.180 -1.096 1.00 0.00 H new ATOM 1668 N ASP A 109 12.672 6.768 4.136 1.00 0.00 N ATOM 1669 CA ASP A 109 12.898 6.533 5.552 1.00 0.00 C ATOM 1670 C ASP A 109 11.679 5.910 6.233 1.00 0.00 C ATOM 1671 O ASP A 109 11.788 4.858 6.852 1.00 0.00 O ATOM 1672 CB ASP A 109 13.275 7.838 6.254 1.00 0.00 C ATOM 1673 CG ASP A 109 14.032 7.601 7.546 1.00 0.00 C ATOM 1674 OD1 ASP A 109 15.265 7.414 7.486 1.00 0.00 O ATOM 1675 OD2 ASP A 109 13.391 7.604 8.618 1.00 0.00 O ATOM 0 H ASP A 109 12.903 7.711 3.823 1.00 0.00 H new ATOM 0 HA ASP A 109 13.722 5.824 5.634 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.885 8.444 5.585 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.370 8.408 6.465 1.00 0.00 H new ATOM 1680 N GLU A 110 10.533 6.583 6.147 1.00 0.00 N ATOM 1681 CA GLU A 110 9.314 6.107 6.789 1.00 0.00 C ATOM 1682 C GLU A 110 8.612 4.997 6.002 1.00 0.00 C ATOM 1683 O GLU A 110 7.915 4.170 6.591 1.00 0.00 O ATOM 1684 CB GLU A 110 8.354 7.278 7.032 1.00 0.00 C ATOM 1685 CG GLU A 110 9.004 8.469 7.716 1.00 0.00 C ATOM 1686 CD GLU A 110 8.918 8.395 9.228 1.00 0.00 C ATOM 1687 OE1 GLU A 110 9.815 7.782 9.845 1.00 0.00 O ATOM 1688 OE2 GLU A 110 7.956 8.952 9.796 1.00 0.00 O ATOM 0 H GLU A 110 10.425 7.460 5.638 1.00 0.00 H new ATOM 0 HA GLU A 110 9.611 5.670 7.742 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.939 7.601 6.077 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.519 6.931 7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 110 10.051 8.527 7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.524 9.386 7.373 1.00 0.00 H new ATOM 1695 N ALA A 111 8.790 4.965 4.684 1.00 0.00 N ATOM 1696 CA ALA A 111 8.151 3.935 3.875 1.00 0.00 C ATOM 1697 C ALA A 111 8.979 2.661 3.865 1.00 0.00 C ATOM 1698 O ALA A 111 8.478 1.583 4.185 1.00 0.00 O ATOM 1699 CB ALA A 111 7.897 4.425 2.461 1.00 0.00 C ATOM 0 H ALA A 111 9.362 5.629 4.162 1.00 0.00 H new ATOM 0 HA ALA A 111 7.186 3.709 4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.420 3.634 1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.245 5.298 2.490 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.844 4.695 1.994 1.00 0.00 H new ATOM 1705 N VAL A 112 10.253 2.784 3.511 1.00 0.00 N ATOM 1706 CA VAL A 112 11.134 1.628 3.485 1.00 0.00 C ATOM 1707 C VAL A 112 11.204 0.991 4.864 1.00 0.00 C ATOM 1708 O VAL A 112 11.343 -0.223 5.005 1.00 0.00 O ATOM 1709 CB VAL A 112 12.553 1.985 3.024 1.00 0.00 C ATOM 1710 CG1 VAL A 112 13.392 0.723 2.916 1.00 0.00 C ATOM 1711 CG2 VAL A 112 12.510 2.731 1.700 1.00 0.00 C ATOM 0 H VAL A 112 10.693 3.664 3.241 1.00 0.00 H new ATOM 0 HA VAL A 112 10.713 0.926 2.765 1.00 0.00 H new ATOM 0 HB VAL A 112 13.014 2.643 3.761 1.00 0.00 H new ATOM 0 HG11 VAL A 112 14.399 0.982 2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.442 0.235 3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.938 0.045 2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 112 13.525 2.977 1.388 1.00 0.00 H new ATOM 0 HG22 VAL A 112 12.039 2.103 0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.935 3.649 1.818 1.00 0.00 H new ATOM 1721 N ALA A 113 11.088 1.826 5.880 1.00 0.00 N ATOM 1722 CA ALA A 113 11.112 1.362 7.254 1.00 0.00 C ATOM 1723 C ALA A 113 9.959 0.403 7.492 1.00 0.00 C ATOM 1724 O ALA A 113 10.135 -0.710 7.989 1.00 0.00 O ATOM 1725 CB ALA A 113 10.995 2.546 8.195 1.00 0.00 C ATOM 0 H ALA A 113 10.976 2.835 5.778 1.00 0.00 H new ATOM 0 HA ALA A 113 12.053 0.845 7.442 1.00 0.00 H new ATOM 0 HB1 ALA A 113 11.013 2.194 9.226 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.830 3.227 8.029 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.057 3.069 8.007 1.00 0.00 H new ATOM 1731 N LEU A 114 8.772 0.875 7.140 1.00 0.00 N ATOM 1732 CA LEU A 114 7.544 0.119 7.308 1.00 0.00 C ATOM 1733 C LEU A 114 7.388 -0.988 6.261 1.00 0.00 C ATOM 1734 O LEU A 114 6.617 -1.925 6.465 1.00 0.00 O ATOM 1735 CB LEU A 114 6.354 1.074 7.246 1.00 0.00 C ATOM 1736 CG LEU A 114 4.983 0.445 7.506 1.00 0.00 C ATOM 1737 CD1 LEU A 114 4.709 0.337 8.999 1.00 0.00 C ATOM 1738 CD2 LEU A 114 3.900 1.265 6.828 1.00 0.00 C ATOM 0 H LEU A 114 8.635 1.798 6.728 1.00 0.00 H new ATOM 0 HA LEU A 114 7.585 -0.371 8.281 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.512 1.870 7.974 1.00 0.00 H new ATOM 0 HB3 LEU A 114 6.338 1.541 6.261 1.00 0.00 H new ATOM 0 HG LEU A 114 4.980 -0.562 7.089 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.729 -0.113 9.157 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.473 -0.285 9.465 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.728 1.331 9.445 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.927 0.811 7.018 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.910 2.280 7.225 1.00 0.00 H new ATOM 0 HD23 LEU A 114 4.084 1.293 5.754 1.00 0.00 H new ATOM 1750 N VAL A 115 8.096 -0.879 5.140 1.00 0.00 N ATOM 1751 CA VAL A 115 7.984 -1.888 4.086 1.00 0.00 C ATOM 1752 C VAL A 115 8.781 -3.150 4.414 1.00 0.00 C ATOM 1753 O VAL A 115 8.281 -4.264 4.266 1.00 0.00 O ATOM 1754 CB VAL A 115 8.415 -1.347 2.700 1.00 0.00 C ATOM 1755 CG1 VAL A 115 9.929 -1.320 2.560 1.00 0.00 C ATOM 1756 CG2 VAL A 115 7.797 -2.182 1.588 1.00 0.00 C ATOM 0 H VAL A 115 8.743 -0.117 4.938 1.00 0.00 H new ATOM 0 HA VAL A 115 6.926 -2.145 4.038 1.00 0.00 H new ATOM 0 HB VAL A 115 8.053 -0.322 2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.197 -0.935 1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.354 -0.676 3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.323 -2.330 2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 115 8.110 -1.789 0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.127 -3.216 1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 115 6.710 -2.140 1.662 1.00 0.00 H new ATOM 1766 N GLU A 116 10.021 -2.971 4.858 1.00 0.00 N ATOM 1767 CA GLU A 116 10.876 -4.101 5.200 1.00 0.00 C ATOM 1768 C GLU A 116 10.273 -4.910 6.343 1.00 0.00 C ATOM 1769 O GLU A 116 10.229 -6.140 6.292 1.00 0.00 O ATOM 1770 CB GLU A 116 12.275 -3.615 5.578 1.00 0.00 C ATOM 1771 CG GLU A 116 13.032 -2.993 4.417 1.00 0.00 C ATOM 1772 CD GLU A 116 14.454 -2.616 4.781 1.00 0.00 C ATOM 1773 OE1 GLU A 116 15.325 -3.512 4.783 1.00 0.00 O ATOM 1774 OE2 GLU A 116 14.698 -1.425 5.064 1.00 0.00 O ATOM 0 H GLU A 116 10.455 -2.057 4.989 1.00 0.00 H new ATOM 0 HA GLU A 116 10.953 -4.747 4.325 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.193 -2.883 6.382 1.00 0.00 H new ATOM 0 HB3 GLU A 116 12.850 -4.455 5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 116 13.049 -3.694 3.582 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.501 -2.104 4.077 1.00 0.00 H new ATOM 1781 N ARG A 117 9.804 -4.213 7.371 1.00 0.00 N ATOM 1782 CA ARG A 117 9.197 -4.868 8.522 1.00 0.00 C ATOM 1783 C ARG A 117 7.942 -5.627 8.109 1.00 0.00 C ATOM 1784 O ARG A 117 7.542 -6.592 8.759 1.00 0.00 O ATOM 1785 CB ARG A 117 8.854 -3.838 9.600 1.00 0.00 C ATOM 1786 CG ARG A 117 7.786 -2.846 9.170 1.00 0.00 C ATOM 1787 CD ARG A 117 7.016 -2.291 10.358 1.00 0.00 C ATOM 1788 NE ARG A 117 6.375 -3.347 11.142 1.00 0.00 N ATOM 1789 CZ ARG A 117 5.306 -3.157 11.912 1.00 0.00 C ATOM 1790 NH1 ARG A 117 4.734 -1.961 11.992 1.00 0.00 N ATOM 1791 NH2 ARG A 117 4.803 -4.172 12.603 1.00 0.00 N ATOM 0 H ARG A 117 9.833 -3.195 7.431 1.00 0.00 H new ATOM 0 HA ARG A 117 9.916 -5.580 8.928 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.516 -4.359 10.495 1.00 0.00 H new ATOM 0 HB3 ARG A 117 9.758 -3.292 9.871 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.251 -2.026 8.624 1.00 0.00 H new ATOM 0 HG3 ARG A 117 7.093 -3.333 8.484 1.00 0.00 H new ATOM 0 HD2 ARG A 117 7.695 -1.727 10.998 1.00 0.00 H new ATOM 0 HD3 ARG A 117 6.258 -1.593 10.004 1.00 0.00 H new ATOM 0 HE ARG A 117 6.771 -4.286 11.096 1.00 0.00 H new ATOM 0 HH11 ARG A 117 5.114 -1.178 11.460 1.00 0.00 H new ATOM 0 HH12 ARG A 117 3.915 -1.826 12.585 1.00 0.00 H new ATOM 0 HH21 ARG A 117 5.235 -5.094 12.543 1.00 0.00 H new ATOM 0 HH22 ARG A 117 3.984 -4.030 13.194 1.00 0.00 H new ATOM 1805 N ALA A 118 7.323 -5.178 7.022 1.00 0.00 N ATOM 1806 CA ALA A 118 6.113 -5.804 6.516 1.00 0.00 C ATOM 1807 C ALA A 118 6.417 -7.146 5.866 1.00 0.00 C ATOM 1808 O ALA A 118 5.806 -8.161 6.199 1.00 0.00 O ATOM 1809 CB ALA A 118 5.412 -4.881 5.529 1.00 0.00 C ATOM 0 H ALA A 118 7.643 -4.379 6.475 1.00 0.00 H new ATOM 0 HA ALA A 118 5.449 -5.984 7.361 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.508 -5.364 5.159 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.148 -3.949 6.028 1.00 0.00 H new ATOM 0 HB3 ALA A 118 6.078 -4.669 4.693 1.00 0.00 H new ATOM 1815 N ILE A 119 7.368 -7.146 4.939 1.00 0.00 N ATOM 1816 CA ILE A 119 7.757 -8.364 4.246 1.00 0.00 C ATOM 1817 C ILE A 119 8.453 -9.326 5.197 1.00 0.00 C ATOM 1818 O ILE A 119 8.371 -10.544 5.043 1.00 0.00 O ATOM 1819 CB ILE A 119 8.694 -8.057 3.067 1.00 0.00 C ATOM 1820 CG1 ILE A 119 8.107 -6.951 2.192 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.949 -9.307 2.240 1.00 0.00 C ATOM 1822 CD1 ILE A 119 9.150 -6.002 1.656 1.00 0.00 C ATOM 0 H ILE A 119 7.883 -6.314 4.651 1.00 0.00 H new ATOM 0 HA ILE A 119 6.846 -8.825 3.865 1.00 0.00 H new ATOM 0 HB ILE A 119 9.647 -7.714 3.470 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.572 -7.403 1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.376 -6.388 2.771 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.615 -9.065 1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.411 -10.070 2.867 1.00 0.00 H new ATOM 0 HG23 ILE A 119 8.004 -9.683 1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.668 -5.240 1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 119 9.668 -5.524 2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.868 -6.555 1.050 1.00 0.00 H new ATOM 1834 N SER A 120 9.137 -8.761 6.182 1.00 0.00 N ATOM 1835 CA SER A 120 9.853 -9.551 7.174 1.00 0.00 C ATOM 1836 C SER A 120 8.881 -10.367 8.021 1.00 0.00 C ATOM 1837 O SER A 120 9.131 -11.535 8.318 1.00 0.00 O ATOM 1838 CB SER A 120 10.689 -8.638 8.072 1.00 0.00 C ATOM 1839 OG SER A 120 11.904 -8.275 7.439 1.00 0.00 O ATOM 0 H SER A 120 9.211 -7.753 6.316 1.00 0.00 H new ATOM 0 HA SER A 120 10.516 -10.239 6.649 1.00 0.00 H new ATOM 0 HB2 SER A 120 10.120 -7.741 8.315 1.00 0.00 H new ATOM 0 HB3 SER A 120 10.903 -9.145 9.013 1.00 0.00 H new ATOM 0 HG SER A 120 11.757 -7.487 6.876 1.00 0.00 H new ATOM 1845 N HIS A 121 7.770 -9.744 8.404 1.00 0.00 N ATOM 1846 CA HIS A 121 6.760 -10.415 9.215 1.00 0.00 C ATOM 1847 C HIS A 121 6.196 -11.623 8.482 1.00 0.00 C ATOM 1848 O HIS A 121 5.809 -12.616 9.098 1.00 0.00 O ATOM 1849 CB HIS A 121 5.631 -9.444 9.569 1.00 0.00 C ATOM 1850 CG HIS A 121 5.833 -8.743 10.876 1.00 0.00 C ATOM 1851 ND1 HIS A 121 6.905 -7.914 11.127 1.00 0.00 N ATOM 1852 CD2 HIS A 121 5.092 -8.751 12.009 1.00 0.00 C ATOM 1853 CE1 HIS A 121 6.816 -7.443 12.359 1.00 0.00 C ATOM 1854 NE2 HIS A 121 5.724 -7.936 12.914 1.00 0.00 N ATOM 0 H HIS A 121 7.547 -8.778 8.166 1.00 0.00 H new ATOM 0 HA HIS A 121 7.234 -10.758 10.135 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.541 -8.700 8.777 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.689 -9.991 9.601 1.00 0.00 H new ATOM 0 HD1 HIS A 121 7.651 -7.698 10.465 1.00 0.00 H new ATOM 0 HD2 HIS A 121 4.174 -9.297 12.170 1.00 0.00 H new ATOM 0 HE1 HIS A 121 7.517 -6.770 12.831 1.00 0.00 H new