USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 910 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 NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 46 MET CE :methyl -160:sc= -0.145 (180deg=-0.647) USER MOD Set 1.2: A 50 HIS :FLIP no HD1:sc= -0.559 F(o=-2.5,f=-1.7) USER MOD Set 1.3: A 74 MET CE :methyl -149:sc= -0.755 (180deg=-3.18!) USER MOD Set 1.4: A 79 ASN :FLIP amide:sc= -0.196 F(o=-2.5,f=-1.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.143 USER MOD Single : A 11 HIS :FLIP no HD1:sc= -0.329 F(o=-1.1,f=-0.33) USER MOD Single : A 14 GLN : amide:sc= -3.7! C(o=-3.7!,f=-9.6!) USER MOD Single : A 15 HIS : no HD1:sc= -0.42 K(o=-0.42,f=-1.6) USER MOD Single : A 16 THR OG1 : rot 120:sc= -0.0552 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -65:sc= 1.46 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.364 USER MOD Single : A 36 LYS NZ :NH3+ 151:sc= -0.327 (180deg=-0.39) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -4.1! C(o=-4.1!,f=-4.3!) USER MOD Single : A 45 SER OG : rot 178:sc= -0.685 USER MOD Single : A 48 HIS : no HD1:sc= -0.147 X(o=-0.15,f=0.027) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 178:sc= 0.794 USER MOD Single : A 59 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0196) USER MOD Single : A 62 ASN : amide:sc= -8.12! C(o=-8.1!,f=-18!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0966 X(o=-0.097,f=-0.04) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot -131:sc= 0.368 USER MOD Single : A 90 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00626) USER MOD Single : A 100 GLN : amide:sc= -0.215 X(o=-0.21,f=0) USER MOD Single : A 107 TYR OH : rot -11:sc= 0.534 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 25:sc= 0.222 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.517 14.870 -8.510 1.00 0.00 N ATOM 2 CA GLY A 1 16.157 13.581 -8.699 1.00 0.00 C ATOM 3 C GLY A 1 16.756 13.037 -7.418 1.00 0.00 C ATOM 4 O GLY A 1 16.053 12.854 -6.424 1.00 0.00 O ATOM 0 H1 GLY A 1 15.124 15.198 -9.415 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.751 14.778 -7.812 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.217 15.558 -8.167 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.427 12.870 -9.086 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.940 13.675 -9.451 1.00 0.00 H new ATOM 8 N SER A 2 18.059 12.776 -7.440 1.00 0.00 N ATOM 9 CA SER A 2 18.752 12.245 -6.272 1.00 0.00 C ATOM 10 C SER A 2 19.399 13.367 -5.466 1.00 0.00 C ATOM 11 O SER A 2 20.357 13.996 -5.915 1.00 0.00 O ATOM 12 CB SER A 2 19.816 11.232 -6.701 1.00 0.00 C ATOM 13 OG SER A 2 19.262 9.934 -6.829 1.00 0.00 O ATOM 0 H SER A 2 18.656 12.924 -8.254 1.00 0.00 H new ATOM 0 HA SER A 2 18.017 11.745 -5.641 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.253 11.539 -7.651 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.623 11.216 -5.969 1.00 0.00 H new ATOM 0 HG SER A 2 19.961 9.306 -7.106 1.00 0.00 H new ATOM 19 N SER A 3 18.866 13.613 -4.273 1.00 0.00 N ATOM 20 CA SER A 3 19.388 14.662 -3.405 1.00 0.00 C ATOM 21 C SER A 3 18.729 14.607 -2.030 1.00 0.00 C ATOM 22 O SER A 3 17.535 14.333 -1.912 1.00 0.00 O ATOM 23 CB SER A 3 19.161 16.036 -4.037 1.00 0.00 C ATOM 24 OG SER A 3 19.829 17.050 -3.306 1.00 0.00 O ATOM 0 H SER A 3 18.074 13.100 -3.886 1.00 0.00 H new ATOM 0 HA SER A 3 20.459 14.499 -3.283 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.519 16.030 -5.067 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.093 16.252 -4.072 1.00 0.00 H new ATOM 0 HG SER A 3 19.670 17.919 -3.731 1.00 0.00 H new ATOM 30 N GLY A 4 19.517 14.869 -0.992 1.00 0.00 N ATOM 31 CA GLY A 4 18.994 14.844 0.362 1.00 0.00 C ATOM 32 C GLY A 4 18.523 13.464 0.776 1.00 0.00 C ATOM 33 O GLY A 4 17.327 13.173 0.744 1.00 0.00 O ATOM 0 H GLY A 4 20.508 15.098 -1.064 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.766 15.183 1.053 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.164 15.547 0.441 1.00 0.00 H new ATOM 37 N SER A 5 19.465 12.611 1.165 1.00 0.00 N ATOM 38 CA SER A 5 19.140 11.251 1.582 1.00 0.00 C ATOM 39 C SER A 5 19.422 11.057 3.068 1.00 0.00 C ATOM 40 O SER A 5 20.451 10.498 3.448 1.00 0.00 O ATOM 41 CB SER A 5 19.942 10.239 0.762 1.00 0.00 C ATOM 42 OG SER A 5 19.413 8.932 0.906 1.00 0.00 O ATOM 0 H SER A 5 20.459 12.837 1.200 1.00 0.00 H new ATOM 0 HA SER A 5 18.076 11.088 1.408 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.929 10.526 -0.289 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.984 10.250 1.083 1.00 0.00 H new ATOM 0 HG SER A 5 19.942 8.304 0.371 1.00 0.00 H new ATOM 48 N SER A 6 18.501 11.524 3.905 1.00 0.00 N ATOM 49 CA SER A 6 18.651 11.406 5.351 1.00 0.00 C ATOM 50 C SER A 6 17.370 11.823 6.066 1.00 0.00 C ATOM 51 O SER A 6 16.460 12.384 5.456 1.00 0.00 O ATOM 52 CB SER A 6 19.822 12.264 5.835 1.00 0.00 C ATOM 53 OG SER A 6 20.072 12.053 7.213 1.00 0.00 O ATOM 0 H SER A 6 17.643 11.988 3.607 1.00 0.00 H new ATOM 0 HA SER A 6 18.854 10.361 5.587 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.716 12.024 5.259 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.603 13.317 5.659 1.00 0.00 H new ATOM 0 HG SER A 6 20.826 12.611 7.498 1.00 0.00 H new ATOM 59 N GLY A 7 17.307 11.545 7.364 1.00 0.00 N ATOM 60 CA GLY A 7 16.134 11.898 8.142 1.00 0.00 C ATOM 61 C GLY A 7 16.484 12.366 9.541 1.00 0.00 C ATOM 62 O GLY A 7 17.214 11.689 10.264 1.00 0.00 O ATOM 0 H GLY A 7 18.047 11.082 7.891 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.583 12.685 7.626 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.471 11.035 8.206 1.00 0.00 H new ATOM 66 N GLU A 8 15.965 13.529 9.922 1.00 0.00 N ATOM 67 CA GLU A 8 16.230 14.087 11.243 1.00 0.00 C ATOM 68 C GLU A 8 15.855 13.094 12.339 1.00 0.00 C ATOM 69 O GLU A 8 14.988 12.238 12.166 1.00 0.00 O ATOM 70 CB GLU A 8 15.454 15.392 11.435 1.00 0.00 C ATOM 71 CG GLU A 8 13.948 15.200 11.504 1.00 0.00 C ATOM 72 CD GLU A 8 13.212 16.483 11.838 1.00 0.00 C ATOM 73 OE1 GLU A 8 13.814 17.361 12.489 1.00 0.00 O ATOM 74 OE2 GLU A 8 12.032 16.607 11.446 1.00 0.00 O ATOM 0 H GLU A 8 15.359 14.103 9.335 1.00 0.00 H new ATOM 0 HA GLU A 8 17.298 14.294 11.314 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.793 15.875 12.352 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.688 16.069 10.613 1.00 0.00 H new ATOM 0 HG2 GLU A 8 13.590 14.818 10.548 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.716 14.446 12.256 1.00 0.00 H new ATOM 81 N PRO A 9 16.525 13.209 13.495 1.00 0.00 N ATOM 82 CA PRO A 9 16.280 12.330 14.643 1.00 0.00 C ATOM 83 C PRO A 9 14.924 12.586 15.290 1.00 0.00 C ATOM 84 O PRO A 9 14.580 11.969 16.298 1.00 0.00 O ATOM 85 CB PRO A 9 17.411 12.687 15.611 1.00 0.00 C ATOM 86 CG PRO A 9 17.786 14.084 15.255 1.00 0.00 C ATOM 87 CD PRO A 9 17.573 14.206 13.772 1.00 0.00 C ATOM 0 HA PRO A 9 16.263 11.279 14.355 1.00 0.00 H new ATOM 0 HB2 PRO A 9 17.082 12.617 16.648 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.257 12.009 15.499 1.00 0.00 H new ATOM 0 HG2 PRO A 9 17.172 14.803 15.798 1.00 0.00 H new ATOM 0 HG3 PRO A 9 18.824 14.288 15.518 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.256 15.211 13.493 1.00 0.00 H new ATOM 0 HD3 PRO A 9 18.486 13.994 13.216 1.00 0.00 H new ATOM 95 N ALA A 10 14.157 13.499 14.704 1.00 0.00 N ATOM 96 CA ALA A 10 12.836 13.835 15.222 1.00 0.00 C ATOM 97 C ALA A 10 12.001 12.579 15.449 1.00 0.00 C ATOM 98 O ALA A 10 11.892 11.726 14.568 1.00 0.00 O ATOM 99 CB ALA A 10 12.121 14.783 14.272 1.00 0.00 C ATOM 0 H ALA A 10 14.428 14.020 13.870 1.00 0.00 H new ATOM 0 HA ALA A 10 12.965 14.333 16.183 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.136 15.025 14.672 1.00 0.00 H new ATOM 0 HB2 ALA A 10 12.704 15.698 14.164 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.010 14.307 13.298 1.00 0.00 H new ATOM 105 N HIS A 11 11.412 12.473 16.636 1.00 0.00 N ATOM 106 CA HIS A 11 10.585 11.321 16.979 1.00 0.00 C ATOM 107 C HIS A 11 9.505 11.707 17.985 1.00 0.00 C ATOM 108 O HIS A 11 9.386 12.870 18.367 1.00 0.00 O ATOM 109 CB HIS A 11 11.451 10.196 17.548 1.00 0.00 C ATOM 110 CG HIS A 11 12.253 10.606 18.745 1.00 0.00 C ATOM 111 ND1 HIS A 11 11.907 11.324 19.839 1.00 0.00 N flip ATOM 112 CD2 HIS A 11 13.582 10.277 18.909 1.00 0.00 C flip ATOM 113 CE1 HIS A 11 13.022 11.414 20.637 1.00 0.00 C flip ATOM 114 NE2 HIS A 11 14.018 10.773 20.053 1.00 0.00 N flip ATOM 0 H HIS A 11 11.492 13.170 17.376 1.00 0.00 H new ATOM 0 HA HIS A 11 10.099 10.970 16.069 1.00 0.00 H new ATOM 0 HB2 HIS A 11 10.810 9.357 17.820 1.00 0.00 H new ATOM 0 HB3 HIS A 11 12.128 9.841 16.771 1.00 0.00 H new ATOM 0 HD2 HIS A 11 14.174 9.703 18.211 1.00 0.00 H new ATOM 0 HE1 HIS A 11 13.075 11.925 21.587 1.00 0.00 H new ATOM 0 HE2 HIS A 11 14.964 10.677 20.423 1.00 0.00 H new ATOM 122 N GLY A 12 8.719 10.722 18.409 1.00 0.00 N ATOM 123 CA GLY A 12 7.659 10.979 19.366 1.00 0.00 C ATOM 124 C GLY A 12 6.387 10.222 19.040 1.00 0.00 C ATOM 125 O GLY A 12 6.419 9.014 18.804 1.00 0.00 O ATOM 0 H GLY A 12 8.797 9.751 18.107 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.999 10.700 20.363 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.446 12.048 19.389 1.00 0.00 H new ATOM 129 N ARG A 13 5.264 10.932 19.027 1.00 0.00 N ATOM 130 CA ARG A 13 3.975 10.319 18.730 1.00 0.00 C ATOM 131 C ARG A 13 3.535 10.641 17.305 1.00 0.00 C ATOM 132 O ARG A 13 3.748 11.750 16.816 1.00 0.00 O ATOM 133 CB ARG A 13 2.916 10.801 19.723 1.00 0.00 C ATOM 134 CG ARG A 13 2.382 12.191 19.418 1.00 0.00 C ATOM 135 CD ARG A 13 3.337 13.272 19.898 1.00 0.00 C ATOM 136 NE ARG A 13 4.285 13.666 18.860 1.00 0.00 N ATOM 137 CZ ARG A 13 4.930 14.827 18.855 1.00 0.00 C ATOM 138 NH1 ARG A 13 4.730 15.704 19.829 1.00 0.00 N ATOM 139 NH2 ARG A 13 5.777 15.113 17.875 1.00 0.00 N ATOM 0 H ARG A 13 5.221 11.933 19.219 1.00 0.00 H new ATOM 0 HA ARG A 13 4.085 9.239 18.823 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.086 10.095 19.727 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.342 10.797 20.726 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.224 12.294 18.344 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.412 12.322 19.897 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.766 14.144 20.217 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.883 12.912 20.770 1.00 0.00 H new ATOM 0 HE ARG A 13 4.462 13.013 18.096 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.080 15.488 20.584 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.227 16.595 19.823 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.934 14.441 17.124 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.272 16.005 17.873 1.00 0.00 H new ATOM 153 N GLN A 14 2.922 9.664 16.645 1.00 0.00 N ATOM 154 CA GLN A 14 2.453 9.844 15.276 1.00 0.00 C ATOM 155 C GLN A 14 1.669 8.624 14.804 1.00 0.00 C ATOM 156 O GLN A 14 2.135 7.490 14.920 1.00 0.00 O ATOM 157 CB GLN A 14 3.636 10.098 14.340 1.00 0.00 C ATOM 158 CG GLN A 14 4.711 9.027 14.413 1.00 0.00 C ATOM 159 CD GLN A 14 5.595 9.170 15.636 1.00 0.00 C ATOM 160 OE1 GLN A 14 5.858 10.281 16.100 1.00 0.00 O ATOM 161 NE2 GLN A 14 6.060 8.045 16.167 1.00 0.00 N ATOM 0 H GLN A 14 2.738 8.740 17.036 1.00 0.00 H new ATOM 0 HA GLN A 14 1.790 10.709 15.256 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.270 10.164 13.315 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.080 11.063 14.583 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.239 8.044 14.423 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.328 9.075 13.516 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.817 7.146 15.751 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.660 8.080 16.991 1.00 0.00 H new ATOM 170 N HIS A 15 0.474 8.864 14.273 1.00 0.00 N ATOM 171 CA HIS A 15 -0.376 7.785 13.783 1.00 0.00 C ATOM 172 C HIS A 15 -0.890 8.092 12.380 1.00 0.00 C ATOM 173 O HIS A 15 -1.199 9.239 12.057 1.00 0.00 O ATOM 174 CB HIS A 15 -1.553 7.563 14.733 1.00 0.00 C ATOM 175 CG HIS A 15 -1.139 7.171 16.118 1.00 0.00 C ATOM 176 ND1 HIS A 15 -0.459 8.017 16.968 1.00 0.00 N ATOM 177 CD2 HIS A 15 -1.315 6.016 16.801 1.00 0.00 C ATOM 178 CE1 HIS A 15 -0.233 7.399 18.113 1.00 0.00 C ATOM 179 NE2 HIS A 15 -0.743 6.182 18.038 1.00 0.00 N ATOM 0 H HIS A 15 0.073 9.796 14.171 1.00 0.00 H new ATOM 0 HA HIS A 15 0.223 6.875 13.740 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.145 8.477 14.785 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.199 6.787 14.323 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.813 5.128 16.440 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.281 7.817 18.966 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.716 5.481 18.778 1.00 0.00 H new ATOM 187 N THR A 16 -0.978 7.059 11.548 1.00 0.00 N ATOM 188 CA THR A 16 -1.452 7.218 10.179 1.00 0.00 C ATOM 189 C THR A 16 -2.731 6.423 9.944 1.00 0.00 C ATOM 190 O THR A 16 -2.789 5.214 10.172 1.00 0.00 O ATOM 191 CB THR A 16 -0.388 6.770 9.159 1.00 0.00 C ATOM 192 OG1 THR A 16 -0.904 6.886 7.829 1.00 0.00 O ATOM 193 CG2 THR A 16 0.040 5.334 9.420 1.00 0.00 C ATOM 0 H THR A 16 -0.727 6.103 11.799 1.00 0.00 H new ATOM 0 HA THR A 16 -1.656 8.279 10.037 1.00 0.00 H new ATOM 0 HB THR A 16 0.482 7.417 9.267 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.347 7.507 7.315 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.792 5.040 8.688 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.460 5.256 10.423 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.825 4.676 9.337 1.00 0.00 H new ATOM 201 N PRO A 17 -3.781 7.113 9.476 1.00 0.00 N ATOM 202 CA PRO A 17 -5.079 6.490 9.199 1.00 0.00 C ATOM 203 C PRO A 17 -5.028 5.560 7.992 1.00 0.00 C ATOM 204 O PRO A 17 -4.076 5.589 7.211 1.00 0.00 O ATOM 205 CB PRO A 17 -5.993 7.685 8.916 1.00 0.00 C ATOM 206 CG PRO A 17 -5.076 8.759 8.442 1.00 0.00 C ATOM 207 CD PRO A 17 -3.783 8.556 9.182 1.00 0.00 C ATOM 0 HA PRO A 17 -5.417 5.865 10.026 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.741 7.441 8.161 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.532 7.992 9.812 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.923 8.694 7.365 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.492 9.746 8.646 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.924 8.844 8.576 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.744 9.152 10.094 1.00 0.00 H new ATOM 215 N CYS A 18 -6.059 4.735 7.843 1.00 0.00 N ATOM 216 CA CYS A 18 -6.133 3.795 6.731 1.00 0.00 C ATOM 217 C CYS A 18 -6.606 4.494 5.459 1.00 0.00 C ATOM 218 O CYS A 18 -7.237 5.550 5.516 1.00 0.00 O ATOM 219 CB CYS A 18 -7.078 2.641 7.073 1.00 0.00 C ATOM 220 SG CYS A 18 -7.052 1.277 5.866 1.00 0.00 S ATOM 0 H CYS A 18 -6.855 4.698 8.479 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.133 3.398 6.557 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.814 2.248 8.055 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.095 3.027 7.147 1.00 0.00 H new ATOM 225 N LEU A 19 -6.296 3.897 4.313 1.00 0.00 N ATOM 226 CA LEU A 19 -6.689 4.461 3.026 1.00 0.00 C ATOM 227 C LEU A 19 -8.143 4.129 2.707 1.00 0.00 C ATOM 228 O LEU A 19 -8.909 4.994 2.282 1.00 0.00 O ATOM 229 CB LEU A 19 -5.778 3.933 1.917 1.00 0.00 C ATOM 230 CG LEU A 19 -4.275 4.025 2.181 1.00 0.00 C ATOM 231 CD1 LEU A 19 -3.955 5.253 3.019 1.00 0.00 C ATOM 232 CD2 LEU A 19 -3.776 2.763 2.868 1.00 0.00 C ATOM 0 H LEU A 19 -5.774 3.023 4.249 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.588 5.545 3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.031 2.889 1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.000 4.481 1.001 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.762 4.120 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.881 5.302 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.276 6.149 2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.478 5.189 3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.704 2.846 3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.295 2.637 3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.971 1.900 2.231 1.00 0.00 H new ATOM 244 N PHE A 20 -8.518 2.872 2.918 1.00 0.00 N ATOM 245 CA PHE A 20 -9.881 2.426 2.654 1.00 0.00 C ATOM 246 C PHE A 20 -10.820 2.852 3.779 1.00 0.00 C ATOM 247 O PHE A 20 -11.901 3.387 3.532 1.00 0.00 O ATOM 248 CB PHE A 20 -9.920 0.905 2.491 1.00 0.00 C ATOM 249 CG PHE A 20 -8.974 0.390 1.443 1.00 0.00 C ATOM 250 CD1 PHE A 20 -7.669 0.062 1.771 1.00 0.00 C ATOM 251 CD2 PHE A 20 -9.390 0.236 0.131 1.00 0.00 C ATOM 252 CE1 PHE A 20 -6.796 -0.412 0.810 1.00 0.00 C ATOM 253 CE2 PHE A 20 -8.522 -0.238 -0.834 1.00 0.00 C ATOM 254 CZ PHE A 20 -7.223 -0.562 -0.495 1.00 0.00 C ATOM 0 H PHE A 20 -7.897 2.144 3.271 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.216 2.893 1.728 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.680 0.439 3.447 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.935 0.601 2.234 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.330 0.178 2.790 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.404 0.489 -0.141 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.781 -0.665 1.079 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -8.859 -0.355 -1.853 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.543 -0.932 -1.248 1.00 0.00 H new ATOM 264 N CYS A 21 -10.399 2.610 5.016 1.00 0.00 N ATOM 265 CA CYS A 21 -11.201 2.967 6.180 1.00 0.00 C ATOM 266 C CYS A 21 -10.541 4.093 6.971 1.00 0.00 C ATOM 267 O CYS A 21 -9.522 4.643 6.554 1.00 0.00 O ATOM 268 CB CYS A 21 -11.402 1.746 7.081 1.00 0.00 C ATOM 269 SG CYS A 21 -9.894 1.206 7.949 1.00 0.00 S ATOM 0 H CYS A 21 -9.507 2.168 5.238 1.00 0.00 H new ATOM 0 HA CYS A 21 -12.172 3.315 5.828 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -12.171 1.975 7.819 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.776 0.920 6.477 1.00 0.00 H new ATOM 274 N ASP A 22 -11.129 4.429 8.114 1.00 0.00 N ATOM 275 CA ASP A 22 -10.598 5.488 8.964 1.00 0.00 C ATOM 276 C ASP A 22 -9.923 4.904 10.201 1.00 0.00 C ATOM 277 O ASP A 22 -10.132 5.380 11.317 1.00 0.00 O ATOM 278 CB ASP A 22 -11.716 6.444 9.382 1.00 0.00 C ATOM 279 CG ASP A 22 -12.524 6.942 8.200 1.00 0.00 C ATOM 280 OD1 ASP A 22 -13.144 6.106 7.510 1.00 0.00 O ATOM 281 OD2 ASP A 22 -12.538 8.169 7.965 1.00 0.00 O ATOM 0 H ASP A 22 -11.973 3.983 8.473 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.853 6.041 8.392 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.379 5.938 10.084 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.284 7.296 9.908 1.00 0.00 H new ATOM 286 N ARG A 23 -9.113 3.871 9.995 1.00 0.00 N ATOM 287 CA ARG A 23 -8.408 3.221 11.093 1.00 0.00 C ATOM 288 C ARG A 23 -7.019 3.823 11.280 1.00 0.00 C ATOM 289 O ARG A 23 -6.228 3.890 10.338 1.00 0.00 O ATOM 290 CB ARG A 23 -8.294 1.718 10.835 1.00 0.00 C ATOM 291 CG ARG A 23 -9.548 0.940 11.199 1.00 0.00 C ATOM 292 CD ARG A 23 -9.346 -0.557 11.023 1.00 0.00 C ATOM 293 NE ARG A 23 -10.232 -1.334 11.886 1.00 0.00 N ATOM 294 CZ ARG A 23 -9.971 -2.575 12.280 1.00 0.00 C ATOM 295 NH1 ARG A 23 -8.856 -3.177 11.891 1.00 0.00 N ATOM 296 NH2 ARG A 23 -10.827 -3.217 13.065 1.00 0.00 N ATOM 0 H ARG A 23 -8.929 3.466 9.077 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.981 3.384 12.006 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.069 1.555 9.781 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.453 1.323 11.405 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.822 1.152 12.232 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.378 1.272 10.575 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.525 -0.827 9.982 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.310 -0.811 11.244 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.099 -0.900 12.203 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.196 -2.687 11.287 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.658 -4.130 12.195 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.686 -2.757 13.366 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.626 -4.170 13.367 1.00 0.00 H new ATOM 310 N LEU A 24 -6.729 4.261 12.500 1.00 0.00 N ATOM 311 CA LEU A 24 -5.434 4.858 12.811 1.00 0.00 C ATOM 312 C LEU A 24 -4.444 3.798 13.281 1.00 0.00 C ATOM 313 O LEU A 24 -4.806 2.874 14.009 1.00 0.00 O ATOM 314 CB LEU A 24 -5.593 5.936 13.885 1.00 0.00 C ATOM 315 CG LEU A 24 -6.107 7.293 13.403 1.00 0.00 C ATOM 316 CD1 LEU A 24 -6.536 8.151 14.584 1.00 0.00 C ATOM 317 CD2 LEU A 24 -5.043 8.006 12.582 1.00 0.00 C ATOM 0 H LEU A 24 -7.372 4.214 13.290 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.044 5.314 11.901 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.275 5.562 14.649 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.627 6.086 14.367 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.976 7.126 12.767 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.899 9.113 14.222 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.332 7.645 15.131 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.685 8.310 15.246 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.427 8.970 12.248 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.155 8.162 13.194 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.784 7.398 11.715 1.00 0.00 H new ATOM 329 N PHE A 25 -3.191 3.938 12.860 1.00 0.00 N ATOM 330 CA PHE A 25 -2.147 2.993 13.239 1.00 0.00 C ATOM 331 C PHE A 25 -0.863 3.724 13.620 1.00 0.00 C ATOM 332 O PHE A 25 -0.604 4.831 13.149 1.00 0.00 O ATOM 333 CB PHE A 25 -1.871 2.018 12.092 1.00 0.00 C ATOM 334 CG PHE A 25 -3.089 1.262 11.643 1.00 0.00 C ATOM 335 CD1 PHE A 25 -4.010 1.849 10.790 1.00 0.00 C ATOM 336 CD2 PHE A 25 -3.312 -0.036 12.072 1.00 0.00 C ATOM 337 CE1 PHE A 25 -5.131 1.155 10.376 1.00 0.00 C ATOM 338 CE2 PHE A 25 -4.431 -0.735 11.661 1.00 0.00 C ATOM 339 CZ PHE A 25 -5.341 -0.139 10.811 1.00 0.00 C ATOM 0 H PHE A 25 -2.874 4.697 12.256 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.496 2.433 14.107 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.464 2.571 11.246 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.107 1.307 12.406 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.850 2.860 10.445 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.603 -0.508 12.736 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.843 1.624 9.713 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.593 -1.746 12.004 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.215 -0.684 10.487 1.00 0.00 H new ATOM 349 N ALA A 26 -0.064 3.097 14.476 1.00 0.00 N ATOM 350 CA ALA A 26 1.194 3.686 14.920 1.00 0.00 C ATOM 351 C ALA A 26 2.178 3.814 13.762 1.00 0.00 C ATOM 352 O ALA A 26 2.701 4.896 13.496 1.00 0.00 O ATOM 353 CB ALA A 26 1.799 2.856 16.041 1.00 0.00 C ATOM 0 H ALA A 26 -0.265 2.181 14.876 1.00 0.00 H new ATOM 0 HA ALA A 26 0.985 4.687 15.297 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.738 3.308 16.362 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.107 2.821 16.882 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.987 1.844 15.683 1.00 0.00 H new ATOM 359 N SER A 27 2.428 2.702 13.078 1.00 0.00 N ATOM 360 CA SER A 27 3.354 2.689 11.952 1.00 0.00 C ATOM 361 C SER A 27 2.622 2.379 10.650 1.00 0.00 C ATOM 362 O SER A 27 1.434 2.058 10.655 1.00 0.00 O ATOM 363 CB SER A 27 4.461 1.658 12.186 1.00 0.00 C ATOM 364 OG SER A 27 5.667 2.054 11.557 1.00 0.00 O ATOM 0 H SER A 27 2.002 1.798 13.284 1.00 0.00 H new ATOM 0 HA SER A 27 3.801 3.680 11.870 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.628 1.536 13.256 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.147 0.688 11.800 1.00 0.00 H new ATOM 0 HG SER A 27 6.359 1.380 11.723 1.00 0.00 H new ATOM 370 N ALA A 28 3.340 2.476 9.536 1.00 0.00 N ATOM 371 CA ALA A 28 2.761 2.205 8.227 1.00 0.00 C ATOM 372 C ALA A 28 2.581 0.706 8.006 1.00 0.00 C ATOM 373 O ALA A 28 1.661 0.279 7.309 1.00 0.00 O ATOM 374 CB ALA A 28 3.631 2.801 7.130 1.00 0.00 C ATOM 0 H ALA A 28 4.325 2.741 9.515 1.00 0.00 H new ATOM 0 HA ALA A 28 1.777 2.673 8.189 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.186 2.590 6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.704 3.880 7.270 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.627 2.361 7.176 1.00 0.00 H new ATOM 380 N GLU A 29 3.465 -0.086 8.604 1.00 0.00 N ATOM 381 CA GLU A 29 3.403 -1.536 8.471 1.00 0.00 C ATOM 382 C GLU A 29 2.110 -2.083 9.068 1.00 0.00 C ATOM 383 O GLU A 29 1.424 -2.896 8.449 1.00 0.00 O ATOM 384 CB GLU A 29 4.608 -2.186 9.155 1.00 0.00 C ATOM 385 CG GLU A 29 5.922 -1.948 8.429 1.00 0.00 C ATOM 386 CD GLU A 29 7.126 -2.360 9.253 1.00 0.00 C ATOM 387 OE1 GLU A 29 7.205 -3.545 9.638 1.00 0.00 O ATOM 388 OE2 GLU A 29 7.991 -1.497 9.512 1.00 0.00 O ATOM 0 H GLU A 29 4.232 0.252 9.185 1.00 0.00 H new ATOM 0 HA GLU A 29 3.423 -1.778 7.408 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.689 -1.801 10.172 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.435 -3.259 9.233 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.921 -2.504 7.491 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.006 -0.892 8.173 1.00 0.00 H new ATOM 395 N GLU A 30 1.785 -1.631 10.275 1.00 0.00 N ATOM 396 CA GLU A 30 0.575 -2.076 10.956 1.00 0.00 C ATOM 397 C GLU A 30 -0.641 -1.951 10.043 1.00 0.00 C ATOM 398 O GLU A 30 -1.533 -2.800 10.056 1.00 0.00 O ATOM 399 CB GLU A 30 0.353 -1.263 12.233 1.00 0.00 C ATOM 400 CG GLU A 30 1.083 -1.820 13.444 1.00 0.00 C ATOM 401 CD GLU A 30 0.378 -3.016 14.052 1.00 0.00 C ATOM 402 OE1 GLU A 30 -0.622 -2.812 14.771 1.00 0.00 O ATOM 403 OE2 GLU A 30 0.825 -4.156 13.808 1.00 0.00 O ATOM 0 H GLU A 30 2.342 -0.958 10.801 1.00 0.00 H new ATOM 0 HA GLU A 30 0.703 -3.126 11.220 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.680 -0.237 12.062 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.715 -1.225 12.449 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.093 -2.108 13.154 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.178 -1.038 14.197 1.00 0.00 H new ATOM 410 N THR A 31 -0.671 -0.884 9.250 1.00 0.00 N ATOM 411 CA THR A 31 -1.777 -0.645 8.332 1.00 0.00 C ATOM 412 C THR A 31 -1.724 -1.602 7.147 1.00 0.00 C ATOM 413 O THR A 31 -2.620 -2.427 6.962 1.00 0.00 O ATOM 414 CB THR A 31 -1.769 0.804 7.808 1.00 0.00 C ATOM 415 OG1 THR A 31 -1.513 1.713 8.884 1.00 0.00 O ATOM 416 CG2 THR A 31 -3.097 1.149 7.151 1.00 0.00 C ATOM 0 H THR A 31 0.059 -0.172 9.226 1.00 0.00 H new ATOM 0 HA THR A 31 -2.696 -0.816 8.893 1.00 0.00 H new ATOM 0 HB THR A 31 -0.979 0.893 7.062 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.255 1.680 9.524 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.068 2.177 6.789 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.275 0.474 6.314 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.901 1.044 7.879 1.00 0.00 H new ATOM 424 N PHE A 32 -0.669 -1.489 6.347 1.00 0.00 N ATOM 425 CA PHE A 32 -0.500 -2.345 5.179 1.00 0.00 C ATOM 426 C PHE A 32 -0.993 -3.760 5.465 1.00 0.00 C ATOM 427 O PHE A 32 -1.870 -4.276 4.772 1.00 0.00 O ATOM 428 CB PHE A 32 0.970 -2.381 4.755 1.00 0.00 C ATOM 429 CG PHE A 32 1.464 -1.078 4.193 1.00 0.00 C ATOM 430 CD1 PHE A 32 0.700 -0.367 3.282 1.00 0.00 C ATOM 431 CD2 PHE A 32 2.692 -0.564 4.577 1.00 0.00 C ATOM 432 CE1 PHE A 32 1.152 0.831 2.763 1.00 0.00 C ATOM 433 CE2 PHE A 32 3.150 0.634 4.062 1.00 0.00 C ATOM 434 CZ PHE A 32 2.378 1.333 3.155 1.00 0.00 C ATOM 0 H PHE A 32 0.082 -0.813 6.486 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.096 -1.929 4.366 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.582 -2.651 5.616 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.106 -3.164 4.009 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.260 -0.754 2.974 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.299 -1.106 5.287 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.548 1.374 2.052 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.110 1.023 4.368 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.732 2.271 2.753 1.00 0.00 H new ATOM 444 N SER A 33 -0.422 -4.383 6.492 1.00 0.00 N ATOM 445 CA SER A 33 -0.799 -5.740 6.869 1.00 0.00 C ATOM 446 C SER A 33 -2.301 -5.836 7.121 1.00 0.00 C ATOM 447 O SER A 33 -2.963 -6.763 6.653 1.00 0.00 O ATOM 448 CB SER A 33 -0.032 -6.177 8.118 1.00 0.00 C ATOM 449 OG SER A 33 0.036 -7.589 8.207 1.00 0.00 O ATOM 0 H SER A 33 0.303 -3.969 7.077 1.00 0.00 H new ATOM 0 HA SER A 33 -0.543 -6.404 6.044 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.976 -5.762 8.093 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.520 -5.777 9.007 1.00 0.00 H new ATOM 0 HG SER A 33 0.533 -7.842 9.013 1.00 0.00 H new ATOM 455 N HIS A 34 -2.833 -4.871 7.864 1.00 0.00 N ATOM 456 CA HIS A 34 -4.257 -4.845 8.179 1.00 0.00 C ATOM 457 C HIS A 34 -5.096 -4.886 6.905 1.00 0.00 C ATOM 458 O HIS A 34 -6.099 -5.597 6.834 1.00 0.00 O ATOM 459 CB HIS A 34 -4.599 -3.594 8.989 1.00 0.00 C ATOM 460 CG HIS A 34 -5.977 -3.069 8.727 1.00 0.00 C ATOM 461 ND1 HIS A 34 -7.121 -3.720 9.138 1.00 0.00 N ATOM 462 CD2 HIS A 34 -6.392 -1.948 8.093 1.00 0.00 C ATOM 463 CE1 HIS A 34 -8.180 -3.023 8.766 1.00 0.00 C ATOM 464 NE2 HIS A 34 -7.764 -1.942 8.130 1.00 0.00 N ATOM 0 H HIS A 34 -2.300 -4.097 8.259 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.489 -5.728 8.774 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.501 -3.821 10.051 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.873 -2.814 8.761 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -7.146 -4.602 9.649 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.761 -1.197 7.641 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.210 -3.291 8.950 1.00 0.00 H new ATOM 472 N CYS A 35 -4.679 -4.119 5.904 1.00 0.00 N ATOM 473 CA CYS A 35 -5.393 -4.066 4.633 1.00 0.00 C ATOM 474 C CYS A 35 -5.230 -5.372 3.863 1.00 0.00 C ATOM 475 O CYS A 35 -6.104 -5.764 3.089 1.00 0.00 O ATOM 476 CB CYS A 35 -4.888 -2.896 3.788 1.00 0.00 C ATOM 477 SG CYS A 35 -4.975 -1.293 4.621 1.00 0.00 S ATOM 0 H CYS A 35 -3.851 -3.525 5.948 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.452 -3.920 4.846 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.854 -3.089 3.501 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.471 -2.848 2.868 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.525 -0.367 3.828 1.00 0.00 H new ATOM 483 N LYS A 36 -4.103 -6.043 4.078 1.00 0.00 N ATOM 484 CA LYS A 36 -3.823 -7.305 3.404 1.00 0.00 C ATOM 485 C LYS A 36 -4.677 -8.430 3.980 1.00 0.00 C ATOM 486 O LYS A 36 -4.880 -9.461 3.336 1.00 0.00 O ATOM 487 CB LYS A 36 -2.339 -7.659 3.535 1.00 0.00 C ATOM 488 CG LYS A 36 -1.417 -6.682 2.827 1.00 0.00 C ATOM 489 CD LYS A 36 0.033 -6.891 3.231 1.00 0.00 C ATOM 490 CE LYS A 36 0.861 -5.635 3.008 1.00 0.00 C ATOM 491 NZ LYS A 36 1.983 -5.530 3.981 1.00 0.00 N ATOM 0 H LYS A 36 -3.368 -5.733 4.714 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.071 -7.188 2.349 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.074 -7.695 4.592 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.175 -8.658 3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.516 -6.803 1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.718 -5.661 3.062 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.081 -7.178 4.281 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.457 -7.714 2.656 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.259 -5.638 1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.221 -4.757 3.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.770 -5.006 3.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.659 -5.028 4.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.305 -6.483 4.243 1.00 0.00 H new ATOM 505 N LEU A 37 -5.175 -8.226 5.194 1.00 0.00 N ATOM 506 CA LEU A 37 -6.010 -9.223 5.856 1.00 0.00 C ATOM 507 C LEU A 37 -7.490 -8.927 5.637 1.00 0.00 C ATOM 508 O LEU A 37 -8.269 -9.820 5.306 1.00 0.00 O ATOM 509 CB LEU A 37 -5.701 -9.262 7.354 1.00 0.00 C ATOM 510 CG LEU A 37 -4.231 -9.448 7.732 1.00 0.00 C ATOM 511 CD1 LEU A 37 -3.950 -8.837 9.096 1.00 0.00 C ATOM 512 CD2 LEU A 37 -3.860 -10.923 7.720 1.00 0.00 C ATOM 0 H LEU A 37 -5.016 -7.380 5.740 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.786 -10.196 5.420 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.056 -8.334 7.802 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.276 -10.072 7.802 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.617 -8.934 6.992 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.899 -8.979 9.349 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.177 -7.771 9.071 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.573 -9.323 9.847 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.810 -11.036 7.991 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.480 -11.460 8.438 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.023 -11.331 6.722 1.00 0.00 H new ATOM 524 N GLU A 38 -7.869 -7.666 5.823 1.00 0.00 N ATOM 525 CA GLU A 38 -9.256 -7.253 5.644 1.00 0.00 C ATOM 526 C GLU A 38 -9.511 -6.811 4.206 1.00 0.00 C ATOM 527 O GLU A 38 -10.282 -7.439 3.479 1.00 0.00 O ATOM 528 CB GLU A 38 -9.600 -6.115 6.607 1.00 0.00 C ATOM 529 CG GLU A 38 -9.442 -6.488 8.072 1.00 0.00 C ATOM 530 CD GLU A 38 -10.649 -7.223 8.621 1.00 0.00 C ATOM 531 OE1 GLU A 38 -10.826 -8.410 8.276 1.00 0.00 O ATOM 532 OE2 GLU A 38 -11.415 -6.612 9.394 1.00 0.00 O ATOM 0 H GLU A 38 -7.236 -6.914 6.097 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.894 -8.109 5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.961 -5.259 6.388 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.628 -5.799 6.430 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.556 -7.112 8.190 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.275 -5.584 8.657 1.00 0.00 H new ATOM 539 N HIS A 39 -8.859 -5.726 3.802 1.00 0.00 N ATOM 540 CA HIS A 39 -9.014 -5.199 2.451 1.00 0.00 C ATOM 541 C HIS A 39 -8.282 -6.075 1.439 1.00 0.00 C ATOM 542 O HIS A 39 -8.225 -5.753 0.252 1.00 0.00 O ATOM 543 CB HIS A 39 -8.490 -3.765 2.376 1.00 0.00 C ATOM 544 CG HIS A 39 -9.111 -2.847 3.383 1.00 0.00 C ATOM 545 ND1 HIS A 39 -10.449 -2.887 3.714 1.00 0.00 N ATOM 546 CD2 HIS A 39 -8.568 -1.860 4.134 1.00 0.00 C ATOM 547 CE1 HIS A 39 -10.703 -1.964 4.624 1.00 0.00 C ATOM 548 NE2 HIS A 39 -9.578 -1.327 4.897 1.00 0.00 N ATOM 0 H HIS A 39 -8.218 -5.194 4.391 1.00 0.00 H new ATOM 0 HA HIS A 39 -10.076 -5.202 2.206 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.410 -3.774 2.522 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.674 -3.372 1.376 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -11.135 -3.529 3.318 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.534 -1.550 4.133 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.666 -1.764 5.069 1.00 0.00 H new ATOM 556 N GLN A 40 -7.722 -7.182 1.917 1.00 0.00 N ATOM 557 CA GLN A 40 -6.992 -8.102 1.053 1.00 0.00 C ATOM 558 C GLN A 40 -6.224 -7.344 -0.025 1.00 0.00 C ATOM 559 O GLN A 40 -6.052 -7.836 -1.140 1.00 0.00 O ATOM 560 CB GLN A 40 -7.955 -9.099 0.405 1.00 0.00 C ATOM 561 CG GLN A 40 -8.937 -9.721 1.384 1.00 0.00 C ATOM 562 CD GLN A 40 -9.358 -11.120 0.979 1.00 0.00 C ATOM 563 OE1 GLN A 40 -9.885 -11.330 -0.114 1.00 0.00 O ATOM 564 NE2 GLN A 40 -9.128 -12.086 1.860 1.00 0.00 N ATOM 0 H GLN A 40 -7.760 -7.463 2.897 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.276 -8.647 1.668 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -8.512 -8.593 -0.383 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -7.378 -9.892 -0.071 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.484 -9.755 2.375 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.821 -9.087 1.459 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.689 -11.867 2.754 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.390 -13.047 1.643 1.00 0.00 H new ATOM 573 N PHE A 41 -5.765 -6.145 0.316 1.00 0.00 N ATOM 574 CA PHE A 41 -5.016 -5.318 -0.623 1.00 0.00 C ATOM 575 C PHE A 41 -3.603 -5.058 -0.112 1.00 0.00 C ATOM 576 O PHE A 41 -3.415 -4.528 0.983 1.00 0.00 O ATOM 577 CB PHE A 41 -5.740 -3.990 -0.855 1.00 0.00 C ATOM 578 CG PHE A 41 -4.831 -2.884 -1.311 1.00 0.00 C ATOM 579 CD1 PHE A 41 -4.050 -2.191 -0.401 1.00 0.00 C ATOM 580 CD2 PHE A 41 -4.758 -2.538 -2.651 1.00 0.00 C ATOM 581 CE1 PHE A 41 -3.213 -1.173 -0.817 1.00 0.00 C ATOM 582 CE2 PHE A 41 -3.922 -1.521 -3.073 1.00 0.00 C ATOM 583 CZ PHE A 41 -3.150 -0.837 -2.155 1.00 0.00 C ATOM 0 H PHE A 41 -5.898 -5.724 1.235 1.00 0.00 H new ATOM 0 HA PHE A 41 -4.947 -5.856 -1.568 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.522 -4.137 -1.600 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.232 -3.687 0.069 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.096 -2.449 0.647 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.361 -3.069 -3.373 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.609 -0.641 -0.097 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.873 -1.262 -4.120 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.498 -0.041 -2.483 1.00 0.00 H new ATOM 593 N ASN A 42 -2.611 -5.435 -0.912 1.00 0.00 N ATOM 594 CA ASN A 42 -1.214 -5.244 -0.540 1.00 0.00 C ATOM 595 C ASN A 42 -0.634 -4.007 -1.220 1.00 0.00 C ATOM 596 O ASN A 42 -0.991 -3.685 -2.354 1.00 0.00 O ATOM 597 CB ASN A 42 -0.391 -6.478 -0.916 1.00 0.00 C ATOM 598 CG ASN A 42 -0.971 -7.756 -0.341 1.00 0.00 C ATOM 599 OD1 ASN A 42 -2.101 -8.133 -0.653 1.00 0.00 O ATOM 600 ND2 ASN A 42 -0.198 -8.430 0.502 1.00 0.00 N ATOM 0 H ASN A 42 -2.749 -5.875 -1.822 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.168 -5.099 0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.341 -6.561 -2.002 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.631 -6.353 -0.558 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.534 -9.298 0.920 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.732 -8.080 0.732 1.00 0.00 H new ATOM 607 N ILE A 43 0.261 -3.318 -0.519 1.00 0.00 N ATOM 608 CA ILE A 43 0.890 -2.118 -1.056 1.00 0.00 C ATOM 609 C ILE A 43 2.068 -2.472 -1.958 1.00 0.00 C ATOM 610 O ILE A 43 2.221 -1.912 -3.044 1.00 0.00 O ATOM 611 CB ILE A 43 1.381 -1.189 0.070 1.00 0.00 C ATOM 612 CG1 ILE A 43 1.957 0.101 -0.518 1.00 0.00 C ATOM 613 CG2 ILE A 43 2.420 -1.897 0.926 1.00 0.00 C ATOM 614 CD1 ILE A 43 0.929 0.952 -1.230 1.00 0.00 C ATOM 0 H ILE A 43 0.566 -3.570 0.421 1.00 0.00 H new ATOM 0 HA ILE A 43 0.131 -1.598 -1.641 1.00 0.00 H new ATOM 0 HB ILE A 43 0.532 -0.930 0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.409 0.686 0.283 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.754 -0.152 -1.217 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.757 -1.227 1.717 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.979 -2.790 1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.270 -2.182 0.306 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.408 1.850 -1.621 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.494 0.385 -2.053 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.143 1.236 -0.530 1.00 0.00 H new ATOM 626 N ASP A 44 2.896 -3.405 -1.501 1.00 0.00 N ATOM 627 CA ASP A 44 4.060 -3.836 -2.268 1.00 0.00 C ATOM 628 C ASP A 44 3.651 -4.289 -3.666 1.00 0.00 C ATOM 629 O ASP A 44 4.306 -3.955 -4.653 1.00 0.00 O ATOM 630 CB ASP A 44 4.784 -4.970 -1.541 1.00 0.00 C ATOM 631 CG ASP A 44 3.935 -6.221 -1.430 1.00 0.00 C ATOM 632 OD1 ASP A 44 2.772 -6.112 -0.989 1.00 0.00 O ATOM 633 OD2 ASP A 44 4.434 -7.310 -1.786 1.00 0.00 O ATOM 0 H ASP A 44 2.783 -3.877 -0.604 1.00 0.00 H new ATOM 0 HA ASP A 44 4.737 -2.987 -2.365 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.707 -5.206 -2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.066 -4.636 -0.543 1.00 0.00 H new ATOM 638 N SER A 45 2.566 -5.052 -3.742 1.00 0.00 N ATOM 639 CA SER A 45 2.073 -5.556 -5.018 1.00 0.00 C ATOM 640 C SER A 45 1.815 -4.410 -5.992 1.00 0.00 C ATOM 641 O SER A 45 2.144 -4.499 -7.174 1.00 0.00 O ATOM 642 CB SER A 45 0.789 -6.362 -4.811 1.00 0.00 C ATOM 643 OG SER A 45 -0.175 -5.611 -4.094 1.00 0.00 O ATOM 0 H SER A 45 2.011 -5.335 -2.934 1.00 0.00 H new ATOM 0 HA SER A 45 2.838 -6.206 -5.443 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.380 -6.655 -5.778 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.016 -7.280 -4.269 1.00 0.00 H new ATOM 0 HG SER A 45 -0.998 -6.136 -4.004 1.00 0.00 H new ATOM 649 N MET A 46 1.225 -3.332 -5.484 1.00 0.00 N ATOM 650 CA MET A 46 0.924 -2.167 -6.308 1.00 0.00 C ATOM 651 C MET A 46 2.206 -1.490 -6.781 1.00 0.00 C ATOM 652 O MET A 46 2.295 -1.035 -7.922 1.00 0.00 O ATOM 653 CB MET A 46 0.066 -1.171 -5.525 1.00 0.00 C ATOM 654 CG MET A 46 -1.194 -1.784 -4.937 1.00 0.00 C ATOM 655 SD MET A 46 -2.299 -2.445 -6.199 1.00 0.00 S ATOM 656 CE MET A 46 -2.683 -0.961 -7.124 1.00 0.00 C ATOM 0 H MET A 46 0.946 -3.241 -4.507 1.00 0.00 H new ATOM 0 HA MET A 46 0.369 -2.505 -7.183 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.663 -0.745 -4.719 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.213 -0.349 -6.184 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.918 -2.582 -4.248 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.723 -1.029 -4.355 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.599 -1.114 -7.694 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.820 -0.128 -6.435 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.864 -0.736 -7.807 1.00 0.00 H new ATOM 666 N VAL A 47 3.198 -1.427 -5.898 1.00 0.00 N ATOM 667 CA VAL A 47 4.475 -0.806 -6.226 1.00 0.00 C ATOM 668 C VAL A 47 5.158 -1.531 -7.380 1.00 0.00 C ATOM 669 O VAL A 47 5.787 -0.907 -8.235 1.00 0.00 O ATOM 670 CB VAL A 47 5.422 -0.792 -5.011 1.00 0.00 C ATOM 671 CG1 VAL A 47 6.822 -0.370 -5.429 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.881 0.126 -3.926 1.00 0.00 C ATOM 0 H VAL A 47 3.141 -1.799 -4.950 1.00 0.00 H new ATOM 0 HA VAL A 47 4.260 0.221 -6.521 1.00 0.00 H new ATOM 0 HB VAL A 47 5.480 -1.802 -4.606 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.476 -0.366 -4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.208 -1.071 -6.169 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.787 0.630 -5.861 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.562 0.124 -3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.792 1.139 -4.318 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.900 -0.227 -3.607 1.00 0.00 H new ATOM 682 N HIS A 48 5.031 -2.854 -7.399 1.00 0.00 N ATOM 683 CA HIS A 48 5.635 -3.666 -8.449 1.00 0.00 C ATOM 684 C HIS A 48 4.752 -3.689 -9.694 1.00 0.00 C ATOM 685 O HIS A 48 5.249 -3.699 -10.820 1.00 0.00 O ATOM 686 CB HIS A 48 5.870 -5.092 -7.950 1.00 0.00 C ATOM 687 CG HIS A 48 7.007 -5.208 -6.982 1.00 0.00 C ATOM 688 ND1 HIS A 48 8.326 -5.282 -7.376 1.00 0.00 N ATOM 689 CD2 HIS A 48 7.017 -5.261 -5.629 1.00 0.00 C ATOM 690 CE1 HIS A 48 9.098 -5.377 -6.308 1.00 0.00 C ATOM 691 NE2 HIS A 48 8.328 -5.366 -5.235 1.00 0.00 N ATOM 0 H HIS A 48 4.515 -3.387 -6.699 1.00 0.00 H new ATOM 0 HA HIS A 48 6.594 -3.219 -8.713 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.960 -5.456 -7.474 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.064 -5.740 -8.805 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.154 -5.227 -4.980 1.00 0.00 H new ATOM 0 HE1 HIS A 48 10.175 -5.451 -6.312 1.00 0.00 H new ATOM 0 HE2 HIS A 48 8.654 -5.426 -4.270 1.00 0.00 H new ATOM 699 N LYS A 49 3.441 -3.699 -9.482 1.00 0.00 N ATOM 700 CA LYS A 49 2.488 -3.720 -10.586 1.00 0.00 C ATOM 701 C LYS A 49 2.636 -2.477 -11.457 1.00 0.00 C ATOM 702 O LYS A 49 3.084 -2.558 -12.601 1.00 0.00 O ATOM 703 CB LYS A 49 1.057 -3.813 -10.050 1.00 0.00 C ATOM 704 CG LYS A 49 0.075 -4.418 -11.038 1.00 0.00 C ATOM 705 CD LYS A 49 -1.354 -4.012 -10.723 1.00 0.00 C ATOM 706 CE LYS A 49 -2.332 -4.577 -11.742 1.00 0.00 C ATOM 707 NZ LYS A 49 -3.699 -4.731 -11.173 1.00 0.00 N ATOM 0 H LYS A 49 3.013 -3.693 -8.556 1.00 0.00 H new ATOM 0 HA LYS A 49 2.698 -4.597 -11.198 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.058 -4.411 -9.139 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.715 -2.815 -9.776 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.331 -4.099 -12.048 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.159 -5.505 -11.016 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.622 -4.363 -9.727 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.430 -2.925 -10.709 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.372 -3.919 -12.610 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.973 -5.545 -12.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.335 -5.119 -11.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.666 -5.379 -10.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.052 -3.803 -10.862 1.00 0.00 H new ATOM 721 N HIS A 50 2.258 -1.327 -10.908 1.00 0.00 N ATOM 722 CA HIS A 50 2.351 -0.066 -11.635 1.00 0.00 C ATOM 723 C HIS A 50 3.733 0.559 -11.465 1.00 0.00 C ATOM 724 O HIS A 50 3.907 1.764 -11.645 1.00 0.00 O ATOM 725 CB HIS A 50 1.275 0.907 -11.152 1.00 0.00 C ATOM 726 CG HIS A 50 -0.115 0.358 -11.247 1.00 0.00 C ATOM 727 ND1 HIS A 50 -1.050 0.146 -10.291 1.00 0.00 N flip ATOM 728 CD2 HIS A 50 -0.685 -0.047 -12.435 1.00 0.00 C flip ATOM 729 CE1 HIS A 50 -2.157 -0.377 -10.914 1.00 0.00 C flip ATOM 730 NE2 HIS A 50 -1.911 -0.482 -12.208 1.00 0.00 N flip ATOM 0 H HIS A 50 1.885 -1.242 -9.963 1.00 0.00 H new ATOM 0 HA HIS A 50 2.193 -0.273 -12.693 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.480 1.178 -10.116 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.336 1.824 -11.739 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.204 -0.014 -13.401 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -3.079 -0.657 -10.426 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.558 -0.838 -12.912 1.00 0.00 H new ATOM 738 N GLY A 51 4.712 -0.269 -11.115 1.00 0.00 N ATOM 739 CA GLY A 51 6.065 0.221 -10.925 1.00 0.00 C ATOM 740 C GLY A 51 6.100 1.594 -10.282 1.00 0.00 C ATOM 741 O GLY A 51 6.856 2.468 -10.708 1.00 0.00 O ATOM 0 H GLY A 51 4.593 -1.270 -10.960 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.619 -0.482 -10.303 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.572 0.262 -11.889 1.00 0.00 H new ATOM 745 N LEU A 52 5.278 1.786 -9.256 1.00 0.00 N ATOM 746 CA LEU A 52 5.216 3.063 -8.555 1.00 0.00 C ATOM 747 C LEU A 52 6.602 3.496 -8.088 1.00 0.00 C ATOM 748 O LEU A 52 7.072 3.073 -7.032 1.00 0.00 O ATOM 749 CB LEU A 52 4.270 2.964 -7.357 1.00 0.00 C ATOM 750 CG LEU A 52 2.838 2.525 -7.666 1.00 0.00 C ATOM 751 CD1 LEU A 52 2.076 2.245 -6.380 1.00 0.00 C ATOM 752 CD2 LEU A 52 2.123 3.584 -8.493 1.00 0.00 C ATOM 0 H LEU A 52 4.646 1.074 -8.891 1.00 0.00 H new ATOM 0 HA LEU A 52 4.836 3.812 -9.249 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.697 2.263 -6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.233 3.937 -6.868 1.00 0.00 H new ATOM 0 HG LEU A 52 2.878 1.604 -8.248 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.059 1.934 -6.620 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.577 1.451 -5.826 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.045 3.149 -5.771 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.105 3.255 -8.704 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.094 4.521 -7.937 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.657 3.735 -9.431 1.00 0.00 H new ATOM 764 N GLU A 53 7.250 4.343 -8.882 1.00 0.00 N ATOM 765 CA GLU A 53 8.582 4.834 -8.548 1.00 0.00 C ATOM 766 C GLU A 53 8.551 5.665 -7.268 1.00 0.00 C ATOM 767 O GLU A 53 7.518 5.768 -6.607 1.00 0.00 O ATOM 768 CB GLU A 53 9.144 5.671 -9.699 1.00 0.00 C ATOM 769 CG GLU A 53 8.197 6.758 -10.180 1.00 0.00 C ATOM 770 CD GLU A 53 8.445 8.091 -9.501 1.00 0.00 C ATOM 771 OE1 GLU A 53 9.460 8.212 -8.784 1.00 0.00 O ATOM 772 OE2 GLU A 53 7.624 9.013 -9.688 1.00 0.00 O ATOM 0 H GLU A 53 6.875 4.703 -9.760 1.00 0.00 H new ATOM 0 HA GLU A 53 9.229 3.972 -8.385 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.079 6.131 -9.380 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.381 5.012 -10.534 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.305 6.878 -11.258 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.169 6.446 -9.996 1.00 0.00 H new ATOM 779 N PHE A 54 9.692 6.254 -6.925 1.00 0.00 N ATOM 780 CA PHE A 54 9.797 7.074 -5.724 1.00 0.00 C ATOM 781 C PHE A 54 8.495 7.826 -5.463 1.00 0.00 C ATOM 782 O PHE A 54 7.788 7.547 -4.494 1.00 0.00 O ATOM 783 CB PHE A 54 10.954 8.067 -5.858 1.00 0.00 C ATOM 784 CG PHE A 54 10.762 9.323 -5.057 1.00 0.00 C ATOM 785 CD1 PHE A 54 10.338 9.262 -3.739 1.00 0.00 C ATOM 786 CD2 PHE A 54 11.006 10.564 -5.622 1.00 0.00 C ATOM 787 CE1 PHE A 54 10.161 10.416 -2.999 1.00 0.00 C ATOM 788 CE2 PHE A 54 10.831 11.721 -4.886 1.00 0.00 C ATOM 789 CZ PHE A 54 10.407 11.647 -3.574 1.00 0.00 C ATOM 0 H PHE A 54 10.556 6.179 -7.461 1.00 0.00 H new ATOM 0 HA PHE A 54 9.990 6.413 -4.879 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.877 7.582 -5.542 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.076 8.331 -6.909 1.00 0.00 H new ATOM 0 HD1 PHE A 54 10.144 8.302 -3.285 1.00 0.00 H new ATOM 0 HD2 PHE A 54 11.336 10.628 -6.648 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.831 10.355 -1.973 1.00 0.00 H new ATOM 0 HE2 PHE A 54 11.026 12.683 -5.337 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.268 12.550 -2.999 1.00 0.00 H new ATOM 799 N TYR A 55 8.185 8.780 -6.334 1.00 0.00 N ATOM 800 CA TYR A 55 6.970 9.575 -6.197 1.00 0.00 C ATOM 801 C TYR A 55 5.730 8.721 -6.441 1.00 0.00 C ATOM 802 O TYR A 55 4.730 8.841 -5.734 1.00 0.00 O ATOM 803 CB TYR A 55 6.993 10.752 -7.173 1.00 0.00 C ATOM 804 CG TYR A 55 7.651 11.992 -6.611 1.00 0.00 C ATOM 805 CD1 TYR A 55 7.346 12.447 -5.335 1.00 0.00 C ATOM 806 CD2 TYR A 55 8.580 12.708 -7.358 1.00 0.00 C ATOM 807 CE1 TYR A 55 7.945 13.580 -4.818 1.00 0.00 C ATOM 808 CE2 TYR A 55 9.184 13.841 -6.849 1.00 0.00 C ATOM 809 CZ TYR A 55 8.863 14.273 -5.579 1.00 0.00 C ATOM 810 OH TYR A 55 9.463 15.401 -5.067 1.00 0.00 O ATOM 0 H TYR A 55 8.758 9.022 -7.142 1.00 0.00 H new ATOM 0 HA TYR A 55 6.930 9.958 -5.177 1.00 0.00 H new ATOM 0 HB2 TYR A 55 7.518 10.451 -8.079 1.00 0.00 H new ATOM 0 HB3 TYR A 55 5.970 10.993 -7.462 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.628 11.906 -4.736 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.833 12.373 -8.353 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.696 13.921 -3.824 1.00 0.00 H new ATOM 0 HE2 TYR A 55 9.904 14.386 -7.442 1.00 0.00 H new ATOM 0 HH TYR A 55 10.084 15.770 -5.729 1.00 0.00 H new ATOM 820 N GLY A 56 5.804 7.856 -7.449 1.00 0.00 N ATOM 821 CA GLY A 56 4.682 6.994 -7.770 1.00 0.00 C ATOM 822 C GLY A 56 4.020 6.420 -6.533 1.00 0.00 C ATOM 823 O GLY A 56 2.810 6.558 -6.347 1.00 0.00 O ATOM 0 H GLY A 56 6.621 7.737 -8.048 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.947 7.558 -8.343 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.025 6.178 -8.407 1.00 0.00 H new ATOM 827 N TYR A 57 4.812 5.773 -5.685 1.00 0.00 N ATOM 828 CA TYR A 57 4.294 5.173 -4.462 1.00 0.00 C ATOM 829 C TYR A 57 3.432 6.166 -3.689 1.00 0.00 C ATOM 830 O TYR A 57 2.351 5.825 -3.209 1.00 0.00 O ATOM 831 CB TYR A 57 5.446 4.687 -3.580 1.00 0.00 C ATOM 832 CG TYR A 57 5.062 4.500 -2.130 1.00 0.00 C ATOM 833 CD1 TYR A 57 4.423 3.342 -1.704 1.00 0.00 C ATOM 834 CD2 TYR A 57 5.336 5.482 -1.186 1.00 0.00 C ATOM 835 CE1 TYR A 57 4.069 3.168 -0.380 1.00 0.00 C ATOM 836 CE2 TYR A 57 4.987 5.316 0.140 1.00 0.00 C ATOM 837 CZ TYR A 57 4.354 4.157 0.538 1.00 0.00 C ATOM 838 OH TYR A 57 4.003 3.988 1.858 1.00 0.00 O ATOM 0 H TYR A 57 5.815 5.651 -5.823 1.00 0.00 H new ATOM 0 HA TYR A 57 3.673 4.322 -4.741 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.819 3.741 -3.973 1.00 0.00 H new ATOM 0 HB3 TYR A 57 6.266 5.403 -3.640 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.199 2.565 -2.420 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.831 6.391 -1.495 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.572 2.262 -0.066 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.208 6.089 0.861 1.00 0.00 H new ATOM 0 HH TYR A 57 4.304 4.762 2.378 1.00 0.00 H new ATOM 848 N ILE A 58 3.918 7.398 -3.576 1.00 0.00 N ATOM 849 CA ILE A 58 3.193 8.442 -2.864 1.00 0.00 C ATOM 850 C ILE A 58 1.800 8.642 -3.452 1.00 0.00 C ATOM 851 O ILE A 58 0.794 8.509 -2.754 1.00 0.00 O ATOM 852 CB ILE A 58 3.951 9.782 -2.904 1.00 0.00 C ATOM 853 CG1 ILE A 58 5.364 9.610 -2.343 1.00 0.00 C ATOM 854 CG2 ILE A 58 3.192 10.844 -2.123 1.00 0.00 C ATOM 855 CD1 ILE A 58 6.230 10.841 -2.496 1.00 0.00 C ATOM 0 H ILE A 58 4.811 7.697 -3.969 1.00 0.00 H new ATOM 0 HA ILE A 58 3.105 8.114 -1.828 1.00 0.00 H new ATOM 0 HB ILE A 58 4.028 10.108 -3.941 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.297 9.352 -1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.846 8.772 -2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.741 11.785 -2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.204 10.982 -2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.087 10.527 -1.085 1.00 0.00 H new ATOM 0 HD11 ILE A 58 7.217 10.646 -2.076 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.328 11.088 -3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.770 11.677 -1.969 1.00 0.00 H new ATOM 867 N LYS A 59 1.748 8.962 -4.741 1.00 0.00 N ATOM 868 CA LYS A 59 0.479 9.177 -5.425 1.00 0.00 C ATOM 869 C LYS A 59 -0.529 8.094 -5.057 1.00 0.00 C ATOM 870 O LYS A 59 -1.664 8.389 -4.680 1.00 0.00 O ATOM 871 CB LYS A 59 0.691 9.197 -6.941 1.00 0.00 C ATOM 872 CG LYS A 59 1.655 10.274 -7.406 1.00 0.00 C ATOM 873 CD LYS A 59 1.600 10.459 -8.913 1.00 0.00 C ATOM 874 CE LYS A 59 2.877 11.092 -9.444 1.00 0.00 C ATOM 875 NZ LYS A 59 3.959 10.085 -9.629 1.00 0.00 N ATOM 0 H LYS A 59 2.571 9.078 -5.333 1.00 0.00 H new ATOM 0 HA LYS A 59 0.082 10.141 -5.106 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.065 8.224 -7.260 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.271 9.345 -7.432 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.414 11.216 -6.914 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.669 10.009 -7.108 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.444 9.493 -9.394 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.747 11.086 -9.173 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.671 11.583 -10.395 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.214 11.865 -8.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.796 10.546 -10.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.209 9.671 -8.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.629 9.334 -10.268 1.00 0.00 H new ATOM 889 N LEU A 60 -0.108 6.838 -5.166 1.00 0.00 N ATOM 890 CA LEU A 60 -0.974 5.710 -4.842 1.00 0.00 C ATOM 891 C LEU A 60 -1.712 5.949 -3.529 1.00 0.00 C ATOM 892 O LEU A 60 -2.914 5.701 -3.427 1.00 0.00 O ATOM 893 CB LEU A 60 -0.154 4.422 -4.753 1.00 0.00 C ATOM 894 CG LEU A 60 -0.936 3.150 -4.420 1.00 0.00 C ATOM 895 CD1 LEU A 60 -1.125 3.019 -2.917 1.00 0.00 C ATOM 896 CD2 LEU A 60 -2.281 3.150 -5.131 1.00 0.00 C ATOM 0 H LEU A 60 0.828 6.576 -5.476 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.712 5.610 -5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.355 4.273 -5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.618 4.558 -3.996 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.363 2.291 -4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.683 2.109 -2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.151 2.973 -2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.677 3.881 -2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.824 2.238 -4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.861 4.016 -4.812 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.123 3.196 -6.208 1.00 0.00 H new ATOM 908 N ILE A 61 -0.985 6.433 -2.528 1.00 0.00 N ATOM 909 CA ILE A 61 -1.572 6.709 -1.222 1.00 0.00 C ATOM 910 C ILE A 61 -2.560 7.868 -1.297 1.00 0.00 C ATOM 911 O ILE A 61 -3.765 7.681 -1.134 1.00 0.00 O ATOM 912 CB ILE A 61 -0.489 7.039 -0.177 1.00 0.00 C ATOM 913 CG1 ILE A 61 0.487 5.869 -0.035 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.130 7.367 1.163 1.00 0.00 C ATOM 915 CD1 ILE A 61 -0.195 4.536 0.176 1.00 0.00 C ATOM 0 H ILE A 61 0.011 6.642 -2.596 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.099 5.805 -0.915 1.00 0.00 H new ATOM 0 HB ILE A 61 0.068 7.913 -0.515 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.107 5.813 -0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.155 6.063 0.804 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.353 7.598 1.891 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.789 8.228 1.050 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.708 6.510 1.509 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.558 3.753 0.268 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.793 4.573 1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.842 4.319 -0.674 1.00 0.00 H new ATOM 927 N ASN A 62 -2.041 9.066 -1.546 1.00 0.00 N ATOM 928 CA ASN A 62 -2.878 10.256 -1.645 1.00 0.00 C ATOM 929 C ASN A 62 -4.135 9.971 -2.461 1.00 0.00 C ATOM 930 O ASN A 62 -5.213 10.485 -2.161 1.00 0.00 O ATOM 931 CB ASN A 62 -2.094 11.406 -2.280 1.00 0.00 C ATOM 932 CG ASN A 62 -0.601 11.286 -2.044 1.00 0.00 C ATOM 933 OD1 ASN A 62 0.138 10.804 -2.903 1.00 0.00 O ATOM 934 ND2 ASN A 62 -0.149 11.726 -0.875 1.00 0.00 N ATOM 0 H ASN A 62 -1.045 9.238 -1.683 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.178 10.543 -0.637 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.289 11.427 -3.352 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.449 12.353 -1.873 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.847 11.672 -0.660 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.798 12.118 -0.192 1.00 0.00 H new ATOM 941 N PHE A 63 -3.989 9.149 -3.495 1.00 0.00 N ATOM 942 CA PHE A 63 -5.112 8.795 -4.355 1.00 0.00 C ATOM 943 C PHE A 63 -6.242 8.168 -3.545 1.00 0.00 C ATOM 944 O PHE A 63 -7.342 8.714 -3.467 1.00 0.00 O ATOM 945 CB PHE A 63 -4.657 7.829 -5.451 1.00 0.00 C ATOM 946 CG PHE A 63 -5.794 7.143 -6.155 1.00 0.00 C ATOM 947 CD1 PHE A 63 -6.539 7.813 -7.111 1.00 0.00 C ATOM 948 CD2 PHE A 63 -6.117 5.829 -5.859 1.00 0.00 C ATOM 949 CE1 PHE A 63 -7.585 7.185 -7.761 1.00 0.00 C ATOM 950 CE2 PHE A 63 -7.162 5.195 -6.505 1.00 0.00 C ATOM 951 CZ PHE A 63 -7.897 5.875 -7.457 1.00 0.00 C ATOM 0 H PHE A 63 -3.104 8.716 -3.758 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.485 9.709 -4.817 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.064 8.376 -6.184 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.004 7.075 -5.012 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.300 8.838 -7.352 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.546 5.294 -5.115 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.157 7.718 -8.506 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.403 4.170 -6.266 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.714 5.382 -7.963 1.00 0.00 H new ATOM 961 N ILE A 64 -5.962 7.017 -2.943 1.00 0.00 N ATOM 962 CA ILE A 64 -6.953 6.315 -2.138 1.00 0.00 C ATOM 963 C ILE A 64 -7.466 7.197 -1.005 1.00 0.00 C ATOM 964 O ILE A 64 -8.520 6.932 -0.426 1.00 0.00 O ATOM 965 CB ILE A 64 -6.378 5.016 -1.542 1.00 0.00 C ATOM 966 CG1 ILE A 64 -5.718 4.175 -2.637 1.00 0.00 C ATOM 967 CG2 ILE A 64 -7.473 4.223 -0.845 1.00 0.00 C ATOM 968 CD1 ILE A 64 -5.133 2.876 -2.131 1.00 0.00 C ATOM 0 H ILE A 64 -5.056 6.551 -2.998 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.779 6.065 -2.803 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.620 5.277 -0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.455 3.956 -3.409 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.928 4.761 -3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.051 3.308 -0.429 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.902 4.823 -0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.252 3.969 -1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.682 2.332 -2.961 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.372 3.088 -1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.923 2.270 -1.687 1.00 0.00 H new ATOM 980 N ARG A 65 -6.715 8.249 -0.695 1.00 0.00 N ATOM 981 CA ARG A 65 -7.094 9.171 0.369 1.00 0.00 C ATOM 982 C ARG A 65 -8.077 10.219 -0.145 1.00 0.00 C ATOM 983 O ARG A 65 -8.954 10.676 0.590 1.00 0.00 O ATOM 984 CB ARG A 65 -5.853 9.859 0.942 1.00 0.00 C ATOM 985 CG ARG A 65 -4.822 8.890 1.497 1.00 0.00 C ATOM 986 CD ARG A 65 -5.246 8.338 2.849 1.00 0.00 C ATOM 987 NE ARG A 65 -4.099 8.035 3.701 1.00 0.00 N ATOM 988 CZ ARG A 65 -4.207 7.610 4.955 1.00 0.00 C ATOM 989 NH1 ARG A 65 -5.403 7.438 5.499 1.00 0.00 N ATOM 990 NH2 ARG A 65 -3.116 7.354 5.666 1.00 0.00 N ATOM 0 H ARG A 65 -5.841 8.484 -1.165 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.580 8.597 1.158 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.389 10.462 0.162 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.160 10.543 1.733 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.680 8.068 0.796 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.861 9.396 1.595 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.889 9.061 3.350 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.837 7.434 2.702 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.164 8.156 3.312 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.244 7.632 4.955 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.483 7.112 6.462 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.194 7.484 5.250 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.200 7.028 6.629 1.00 0.00 H new ATOM 1004 N LEU A 66 -7.925 10.595 -1.410 1.00 0.00 N ATOM 1005 CA LEU A 66 -8.800 11.589 -2.022 1.00 0.00 C ATOM 1006 C LEU A 66 -10.034 10.929 -2.629 1.00 0.00 C ATOM 1007 O LEU A 66 -11.166 11.271 -2.287 1.00 0.00 O ATOM 1008 CB LEU A 66 -8.043 12.368 -3.099 1.00 0.00 C ATOM 1009 CG LEU A 66 -8.653 13.708 -3.512 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -7.563 14.690 -3.914 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -9.645 13.514 -4.650 1.00 0.00 C ATOM 0 H LEU A 66 -7.205 10.227 -2.031 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.126 12.279 -1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.028 12.548 -2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.963 11.739 -3.986 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.188 14.121 -2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.016 15.638 -4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.891 14.853 -3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.000 14.284 -4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.069 14.478 -4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.133 13.079 -5.508 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.444 12.846 -4.327 1.00 0.00 H new ATOM 1023 N LYS A 67 -9.808 9.979 -3.530 1.00 0.00 N ATOM 1024 CA LYS A 67 -10.900 9.267 -4.183 1.00 0.00 C ATOM 1025 C LYS A 67 -11.645 8.383 -3.187 1.00 0.00 C ATOM 1026 O LYS A 67 -12.862 8.486 -3.041 1.00 0.00 O ATOM 1027 CB LYS A 67 -10.364 8.416 -5.336 1.00 0.00 C ATOM 1028 CG LYS A 67 -10.009 9.222 -6.573 1.00 0.00 C ATOM 1029 CD LYS A 67 -11.236 9.510 -7.422 1.00 0.00 C ATOM 1030 CE LYS A 67 -10.851 9.997 -8.811 1.00 0.00 C ATOM 1031 NZ LYS A 67 -12.031 10.083 -9.715 1.00 0.00 N ATOM 0 H LYS A 67 -8.877 9.684 -3.825 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.597 10.005 -4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.479 7.877 -4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.111 7.668 -5.602 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.543 10.161 -6.275 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.275 8.676 -7.166 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.841 8.607 -7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.852 10.262 -6.929 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.380 10.977 -8.735 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.112 9.321 -9.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.727 10.418 -10.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.466 9.143 -9.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.725 10.748 -9.318 1.00 0.00 H new ATOM 1045 N ASN A 68 -10.905 7.515 -2.505 1.00 0.00 N ATOM 1046 CA ASN A 68 -11.496 6.614 -1.522 1.00 0.00 C ATOM 1047 C ASN A 68 -12.264 5.489 -2.209 1.00 0.00 C ATOM 1048 O ASN A 68 -13.414 5.197 -1.879 1.00 0.00 O ATOM 1049 CB ASN A 68 -12.429 7.386 -0.587 1.00 0.00 C ATOM 1050 CG ASN A 68 -12.738 6.619 0.684 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -13.891 6.287 0.957 1.00 0.00 O ATOM 1052 ND2 ASN A 68 -11.705 6.335 1.469 1.00 0.00 N ATOM 0 H ASN A 68 -9.896 7.416 -2.615 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.688 6.175 -0.937 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.972 8.341 -0.329 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.360 7.608 -1.109 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.851 5.822 2.338 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.766 6.630 1.203 1.00 0.00 H new ATOM 1059 N PRO A 69 -11.614 4.840 -3.187 1.00 0.00 N ATOM 1060 CA PRO A 69 -12.216 3.736 -3.940 1.00 0.00 C ATOM 1061 C PRO A 69 -12.390 2.482 -3.090 1.00 0.00 C ATOM 1062 O PRO A 69 -12.302 2.533 -1.863 1.00 0.00 O ATOM 1063 CB PRO A 69 -11.209 3.484 -5.065 1.00 0.00 C ATOM 1064 CG PRO A 69 -9.909 3.973 -4.527 1.00 0.00 C ATOM 1065 CD PRO A 69 -10.242 5.135 -3.632 1.00 0.00 C ATOM 0 HA PRO A 69 -13.218 3.981 -4.293 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -11.158 2.426 -5.321 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.488 4.019 -5.973 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.396 3.187 -3.972 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -9.243 4.280 -5.334 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -9.553 5.205 -2.790 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.188 6.083 -4.167 1.00 0.00 H new ATOM 1073 N THR A 70 -12.637 1.354 -3.750 1.00 0.00 N ATOM 1074 CA THR A 70 -12.824 0.087 -3.055 1.00 0.00 C ATOM 1075 C THR A 70 -11.841 -0.965 -3.556 1.00 0.00 C ATOM 1076 O THR A 70 -11.446 -0.955 -4.722 1.00 0.00 O ATOM 1077 CB THR A 70 -14.260 -0.443 -3.231 1.00 0.00 C ATOM 1078 OG1 THR A 70 -14.477 -1.564 -2.367 1.00 0.00 O ATOM 1079 CG2 THR A 70 -14.513 -0.853 -4.674 1.00 0.00 C ATOM 0 H THR A 70 -12.712 1.293 -4.765 1.00 0.00 H new ATOM 0 HA THR A 70 -12.641 0.276 -1.997 1.00 0.00 H new ATOM 0 HB THR A 70 -14.953 0.357 -2.970 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.392 -1.894 -2.483 1.00 0.00 H new ATOM 0 HG21 THR A 70 -15.533 -1.224 -4.773 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.375 0.009 -5.327 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.812 -1.638 -4.957 1.00 0.00 H new ATOM 1087 N VAL A 71 -11.450 -1.873 -2.667 1.00 0.00 N ATOM 1088 CA VAL A 71 -10.514 -2.934 -3.020 1.00 0.00 C ATOM 1089 C VAL A 71 -10.784 -3.460 -4.425 1.00 0.00 C ATOM 1090 O VAL A 71 -9.897 -3.463 -5.278 1.00 0.00 O ATOM 1091 CB VAL A 71 -10.590 -4.104 -2.022 1.00 0.00 C ATOM 1092 CG1 VAL A 71 -9.683 -5.242 -2.463 1.00 0.00 C ATOM 1093 CG2 VAL A 71 -10.226 -3.634 -0.621 1.00 0.00 C ATOM 0 H VAL A 71 -11.767 -1.895 -1.698 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.515 -2.500 -2.984 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.615 -4.475 -2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.750 -6.060 -1.745 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.994 -5.595 -3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.653 -4.888 -2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.285 -4.474 0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.211 -3.236 -0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.921 -2.855 -0.307 1.00 0.00 H new ATOM 1103 N GLU A 72 -12.015 -3.905 -4.658 1.00 0.00 N ATOM 1104 CA GLU A 72 -12.401 -4.434 -5.961 1.00 0.00 C ATOM 1105 C GLU A 72 -11.954 -3.501 -7.082 1.00 0.00 C ATOM 1106 O GLU A 72 -11.433 -3.946 -8.104 1.00 0.00 O ATOM 1107 CB GLU A 72 -13.917 -4.637 -6.025 1.00 0.00 C ATOM 1108 CG GLU A 72 -14.437 -5.656 -5.026 1.00 0.00 C ATOM 1109 CD GLU A 72 -15.868 -6.071 -5.308 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -16.676 -5.196 -5.682 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -16.180 -7.271 -5.154 1.00 0.00 O ATOM 0 H GLU A 72 -12.761 -3.910 -3.962 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.907 -5.396 -6.095 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.411 -3.682 -5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.190 -4.955 -7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.796 -6.538 -5.045 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.375 -5.239 -4.021 1.00 0.00 H new ATOM 1118 N TYR A 73 -12.162 -2.204 -6.882 1.00 0.00 N ATOM 1119 CA TYR A 73 -11.784 -1.207 -7.877 1.00 0.00 C ATOM 1120 C TYR A 73 -10.268 -1.146 -8.037 1.00 0.00 C ATOM 1121 O TYR A 73 -9.744 -1.275 -9.143 1.00 0.00 O ATOM 1122 CB TYR A 73 -12.323 0.169 -7.481 1.00 0.00 C ATOM 1123 CG TYR A 73 -11.975 1.261 -8.467 1.00 0.00 C ATOM 1124 CD1 TYR A 73 -12.704 1.425 -9.638 1.00 0.00 C ATOM 1125 CD2 TYR A 73 -10.918 2.131 -8.225 1.00 0.00 C ATOM 1126 CE1 TYR A 73 -12.389 2.422 -10.542 1.00 0.00 C ATOM 1127 CE2 TYR A 73 -10.597 3.131 -9.122 1.00 0.00 C ATOM 1128 CZ TYR A 73 -11.335 3.272 -10.279 1.00 0.00 C ATOM 1129 OH TYR A 73 -11.020 4.267 -11.176 1.00 0.00 O ATOM 0 H TYR A 73 -12.590 -1.819 -6.040 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.221 -1.499 -8.832 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.407 0.111 -7.383 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.928 0.436 -6.501 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -13.531 0.762 -9.846 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -10.338 2.023 -7.320 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.965 2.535 -11.449 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.773 3.799 -8.919 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.254 4.778 -10.842 1.00 0.00 H new ATOM 1139 N MET A 74 -9.570 -0.948 -6.924 1.00 0.00 N ATOM 1140 CA MET A 74 -8.114 -0.871 -6.939 1.00 0.00 C ATOM 1141 C MET A 74 -7.521 -1.964 -7.822 1.00 0.00 C ATOM 1142 O MET A 74 -6.534 -1.742 -8.522 1.00 0.00 O ATOM 1143 CB MET A 74 -7.560 -0.991 -5.518 1.00 0.00 C ATOM 1144 CG MET A 74 -7.938 0.175 -4.618 1.00 0.00 C ATOM 1145 SD MET A 74 -7.395 1.764 -5.275 1.00 0.00 S ATOM 1146 CE MET A 74 -5.618 1.538 -5.281 1.00 0.00 C ATOM 0 H MET A 74 -9.989 -0.838 -6.000 1.00 0.00 H new ATOM 0 HA MET A 74 -7.831 0.098 -7.351 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.924 -1.917 -5.072 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.474 -1.066 -5.565 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.020 0.191 -4.486 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.499 0.025 -3.632 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.129 2.498 -5.117 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.336 0.847 -4.487 1.00 0.00 H new ATOM 0 HE3 MET A 74 -5.306 1.132 -6.243 1.00 0.00 H new ATOM 1156 N ASN A 75 -8.129 -3.145 -7.783 1.00 0.00 N ATOM 1157 CA ASN A 75 -7.660 -4.274 -8.579 1.00 0.00 C ATOM 1158 C ASN A 75 -7.904 -4.029 -10.065 1.00 0.00 C ATOM 1159 O ASN A 75 -7.028 -4.269 -10.896 1.00 0.00 O ATOM 1160 CB ASN A 75 -8.362 -5.561 -8.141 1.00 0.00 C ATOM 1161 CG ASN A 75 -7.652 -6.242 -6.986 1.00 0.00 C ATOM 1162 OD1 ASN A 75 -6.450 -6.498 -7.047 1.00 0.00 O ATOM 1163 ND2 ASN A 75 -8.396 -6.538 -5.927 1.00 0.00 N ATOM 0 H ASN A 75 -8.948 -3.345 -7.209 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.587 -4.380 -8.417 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.387 -5.332 -7.850 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.417 -6.247 -8.986 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.974 -6.997 -5.119 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.389 -6.307 -5.921 1.00 0.00 H new ATOM 1170 N SER A 76 -9.100 -3.550 -10.392 1.00 0.00 N ATOM 1171 CA SER A 76 -9.460 -3.276 -11.778 1.00 0.00 C ATOM 1172 C SER A 76 -8.580 -2.174 -12.361 1.00 0.00 C ATOM 1173 O SER A 76 -8.129 -2.264 -13.503 1.00 0.00 O ATOM 1174 CB SER A 76 -10.933 -2.872 -11.874 1.00 0.00 C ATOM 1175 OG SER A 76 -11.410 -2.996 -13.202 1.00 0.00 O ATOM 0 H SER A 76 -9.836 -3.344 -9.716 1.00 0.00 H new ATOM 0 HA SER A 76 -9.301 -4.187 -12.355 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.529 -3.498 -11.210 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.054 -1.843 -11.535 1.00 0.00 H new ATOM 0 HG SER A 76 -12.354 -2.734 -13.237 1.00 0.00 H new ATOM 1181 N ILE A 77 -8.341 -1.135 -11.568 1.00 0.00 N ATOM 1182 CA ILE A 77 -7.515 -0.016 -12.003 1.00 0.00 C ATOM 1183 C ILE A 77 -6.396 -0.486 -12.927 1.00 0.00 C ATOM 1184 O ILE A 77 -5.808 -1.546 -12.717 1.00 0.00 O ATOM 1185 CB ILE A 77 -6.897 0.728 -10.804 1.00 0.00 C ATOM 1186 CG1 ILE A 77 -7.998 1.309 -9.914 1.00 0.00 C ATOM 1187 CG2 ILE A 77 -5.963 1.827 -11.288 1.00 0.00 C ATOM 1188 CD1 ILE A 77 -7.488 2.304 -8.896 1.00 0.00 C ATOM 0 H ILE A 77 -8.708 -1.045 -10.621 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.169 0.667 -12.545 1.00 0.00 H new ATOM 0 HB ILE A 77 -6.316 0.019 -10.214 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -8.744 1.795 -10.543 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.501 0.494 -9.394 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -5.534 2.344 -10.430 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.163 1.388 -11.884 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -6.522 2.537 -11.897 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.322 2.675 -8.300 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.764 1.817 -8.243 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -7.010 3.138 -9.410 1.00 0.00 H new ATOM 1200 N TYR A 78 -6.107 0.312 -13.949 1.00 0.00 N ATOM 1201 CA TYR A 78 -5.059 -0.022 -14.907 1.00 0.00 C ATOM 1202 C TYR A 78 -4.400 1.239 -15.455 1.00 0.00 C ATOM 1203 O TYR A 78 -4.864 2.352 -15.210 1.00 0.00 O ATOM 1204 CB TYR A 78 -5.635 -0.852 -16.056 1.00 0.00 C ATOM 1205 CG TYR A 78 -6.885 -0.258 -16.665 1.00 0.00 C ATOM 1206 CD1 TYR A 78 -6.879 1.027 -17.195 1.00 0.00 C ATOM 1207 CD2 TYR A 78 -8.071 -0.980 -16.709 1.00 0.00 C ATOM 1208 CE1 TYR A 78 -8.019 1.574 -17.752 1.00 0.00 C ATOM 1209 CE2 TYR A 78 -9.215 -0.441 -17.265 1.00 0.00 C ATOM 1210 CZ TYR A 78 -9.184 0.836 -17.785 1.00 0.00 C ATOM 1211 OH TYR A 78 -10.322 1.377 -18.338 1.00 0.00 O ATOM 0 H TYR A 78 -6.583 1.194 -14.136 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.301 -0.609 -14.388 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.877 -0.957 -16.833 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.859 -1.855 -15.692 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.968 1.607 -17.171 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.099 -1.980 -16.302 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -7.998 2.574 -18.159 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -10.129 -1.016 -17.292 1.00 0.00 H new ATOM 0 HH TYR A 78 -11.053 0.727 -18.283 1.00 0.00 H new ATOM 1221 N ASN A 79 -3.315 1.056 -16.201 1.00 0.00 N ATOM 1222 CA ASN A 79 -2.591 2.179 -16.785 1.00 0.00 C ATOM 1223 C ASN A 79 -3.287 2.677 -18.049 1.00 0.00 C ATOM 1224 O ASN A 79 -3.715 1.897 -18.900 1.00 0.00 O ATOM 1225 CB ASN A 79 -1.152 1.772 -17.109 1.00 0.00 C ATOM 1226 CG ASN A 79 -0.503 0.996 -15.979 1.00 0.00 C ATOM 1227 OD1 ASN A 79 0.134 1.712 -15.060 1.00 0.00 O flip ATOM 1228 ND2 ASN A 79 -0.573 -0.232 -15.934 1.00 0.00 N flip ATOM 0 H ASN A 79 -2.918 0.141 -16.415 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.577 2.989 -16.056 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.144 1.165 -18.014 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.563 2.665 -17.318 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.073 -0.741 -16.662 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.131 -0.740 -15.168 1.00 0.00 H new ATOM 1235 N PRO A 80 -3.404 4.007 -18.175 1.00 0.00 N ATOM 1236 CA PRO A 80 -2.899 4.945 -17.168 1.00 0.00 C ATOM 1237 C PRO A 80 -3.708 4.898 -15.876 1.00 0.00 C ATOM 1238 O PRO A 80 -4.924 4.712 -15.899 1.00 0.00 O ATOM 1239 CB PRO A 80 -3.052 6.309 -17.845 1.00 0.00 C ATOM 1240 CG PRO A 80 -4.150 6.120 -18.835 1.00 0.00 C ATOM 1241 CD PRO A 80 -4.038 4.698 -19.311 1.00 0.00 C ATOM 0 HA PRO A 80 -1.876 4.714 -16.872 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.301 7.085 -17.121 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.127 6.614 -18.334 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.123 6.303 -18.379 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.051 6.819 -19.666 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.015 4.274 -19.545 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.434 4.623 -20.215 1.00 0.00 H new ATOM 1249 N VAL A 81 -3.024 5.070 -14.749 1.00 0.00 N ATOM 1250 CA VAL A 81 -3.679 5.049 -13.446 1.00 0.00 C ATOM 1251 C VAL A 81 -4.360 6.381 -13.152 1.00 0.00 C ATOM 1252 O VAL A 81 -3.947 7.437 -13.631 1.00 0.00 O ATOM 1253 CB VAL A 81 -2.677 4.737 -12.319 1.00 0.00 C ATOM 1254 CG1 VAL A 81 -1.851 3.508 -12.663 1.00 0.00 C ATOM 1255 CG2 VAL A 81 -1.779 5.937 -12.058 1.00 0.00 C ATOM 0 H VAL A 81 -2.017 5.225 -14.712 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.430 4.260 -13.482 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.236 4.525 -11.408 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.149 3.304 -11.855 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.511 2.651 -12.795 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.300 3.687 -13.586 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.077 5.699 -11.259 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.227 6.182 -12.965 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.389 6.791 -11.763 1.00 0.00 H new ATOM 1265 N PRO A 82 -5.430 6.333 -12.345 1.00 0.00 N ATOM 1266 CA PRO A 82 -6.191 7.527 -11.967 1.00 0.00 C ATOM 1267 C PRO A 82 -5.407 8.444 -11.035 1.00 0.00 C ATOM 1268 O PRO A 82 -5.860 9.538 -10.699 1.00 0.00 O ATOM 1269 CB PRO A 82 -7.416 6.955 -11.249 1.00 0.00 C ATOM 1270 CG PRO A 82 -6.968 5.631 -10.733 1.00 0.00 C ATOM 1271 CD PRO A 82 -5.979 5.108 -11.738 1.00 0.00 C ATOM 0 HA PRO A 82 -6.436 8.144 -12.832 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.740 7.607 -10.438 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.261 6.849 -11.930 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.509 5.730 -9.749 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.811 4.949 -10.624 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -5.200 4.511 -11.263 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.459 4.472 -12.481 1.00 0.00 H new ATOM 1279 N TRP A 83 -4.229 7.991 -10.622 1.00 0.00 N ATOM 1280 CA TRP A 83 -3.381 8.772 -9.728 1.00 0.00 C ATOM 1281 C TRP A 83 -2.095 9.195 -10.429 1.00 0.00 C ATOM 1282 O TRP A 83 -1.092 9.490 -9.780 1.00 0.00 O ATOM 1283 CB TRP A 83 -3.050 7.965 -8.471 1.00 0.00 C ATOM 1284 CG TRP A 83 -2.181 6.775 -8.742 1.00 0.00 C ATOM 1285 CD1 TRP A 83 -0.835 6.778 -8.975 1.00 0.00 C ATOM 1286 CD2 TRP A 83 -2.598 5.407 -8.809 1.00 0.00 C ATOM 1287 NE1 TRP A 83 -0.390 5.495 -9.183 1.00 0.00 N ATOM 1288 CE2 TRP A 83 -1.452 4.635 -9.086 1.00 0.00 C ATOM 1289 CE3 TRP A 83 -3.827 4.759 -8.661 1.00 0.00 C ATOM 1290 CZ2 TRP A 83 -1.502 3.250 -9.218 1.00 0.00 C ATOM 1291 CZ3 TRP A 83 -3.875 3.384 -8.793 1.00 0.00 C ATOM 1292 CH2 TRP A 83 -2.719 2.641 -9.068 1.00 0.00 C ATOM 0 H TRP A 83 -3.839 7.088 -10.891 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.928 9.670 -9.441 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.551 8.614 -7.752 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.978 7.630 -8.008 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -0.212 7.660 -8.993 1.00 0.00 H new ATOM 0 HE1 TRP A 83 0.574 5.226 -9.378 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.723 5.322 -8.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -0.612 2.676 -9.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -4.820 2.873 -8.682 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.789 1.568 -9.163 1.00 0.00 H new ATOM 1303 N GLU A 84 -2.132 9.223 -11.758 1.00 0.00 N ATOM 1304 CA GLU A 84 -0.967 9.609 -12.546 1.00 0.00 C ATOM 1305 C GLU A 84 -0.852 11.128 -12.637 1.00 0.00 C ATOM 1306 O GLU A 84 -0.350 11.666 -13.624 1.00 0.00 O ATOM 1307 CB GLU A 84 -1.051 9.008 -13.950 1.00 0.00 C ATOM 1308 CG GLU A 84 -0.126 7.821 -14.161 1.00 0.00 C ATOM 1309 CD GLU A 84 0.396 7.733 -15.582 1.00 0.00 C ATOM 1310 OE1 GLU A 84 0.883 8.761 -16.099 1.00 0.00 O ATOM 1311 OE2 GLU A 84 0.316 6.638 -16.177 1.00 0.00 O ATOM 0 H GLU A 84 -2.955 8.983 -12.311 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.078 9.223 -12.047 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.078 8.696 -14.142 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.810 9.780 -14.681 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.716 7.895 -13.473 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.659 6.902 -13.916 1.00 0.00 H new ATOM 1318 N LYS A 85 -1.321 11.814 -11.601 1.00 0.00 N ATOM 1319 CA LYS A 85 -1.272 13.271 -11.561 1.00 0.00 C ATOM 1320 C LYS A 85 -0.499 13.756 -10.339 1.00 0.00 C ATOM 1321 O LYS A 85 -0.823 13.399 -9.206 1.00 0.00 O ATOM 1322 CB LYS A 85 -2.688 13.850 -11.546 1.00 0.00 C ATOM 1323 CG LYS A 85 -3.610 13.231 -12.582 1.00 0.00 C ATOM 1324 CD LYS A 85 -3.600 14.020 -13.880 1.00 0.00 C ATOM 1325 CE LYS A 85 -2.548 13.493 -14.844 1.00 0.00 C ATOM 1326 NZ LYS A 85 -2.713 14.063 -16.210 1.00 0.00 N ATOM 0 H LYS A 85 -1.740 11.384 -10.776 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.755 13.617 -12.456 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.120 13.706 -10.556 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -2.634 14.925 -11.717 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.302 12.204 -12.777 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.626 13.190 -12.188 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.583 13.966 -14.348 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.406 15.071 -13.667 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.555 13.736 -14.466 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.613 12.406 -14.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.977 13.680 -16.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.651 13.810 -16.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.626 15.098 -16.167 1.00 0.00 H new ATOM 1340 N ASP A 86 0.522 14.573 -10.575 1.00 0.00 N ATOM 1341 CA ASP A 86 1.339 15.109 -9.493 1.00 0.00 C ATOM 1342 C ASP A 86 0.463 15.610 -8.349 1.00 0.00 C ATOM 1343 O ASP A 86 0.738 15.339 -7.180 1.00 0.00 O ATOM 1344 CB ASP A 86 2.225 16.244 -10.009 1.00 0.00 C ATOM 1345 CG ASP A 86 1.473 17.554 -10.134 1.00 0.00 C ATOM 1346 OD1 ASP A 86 0.685 17.696 -11.092 1.00 0.00 O ATOM 1347 OD2 ASP A 86 1.672 18.438 -9.274 1.00 0.00 O ATOM 0 H ASP A 86 0.803 14.878 -11.507 1.00 0.00 H new ATOM 0 HA ASP A 86 1.973 14.306 -9.117 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.070 16.377 -9.334 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.634 15.969 -10.981 1.00 0.00 H new ATOM 1352 N GLU A 87 -0.591 16.343 -8.693 1.00 0.00 N ATOM 1353 CA GLU A 87 -1.505 16.884 -7.694 1.00 0.00 C ATOM 1354 C GLU A 87 -1.701 15.897 -6.546 1.00 0.00 C ATOM 1355 O GLU A 87 -1.684 16.278 -5.376 1.00 0.00 O ATOM 1356 CB GLU A 87 -2.855 17.216 -8.332 1.00 0.00 C ATOM 1357 CG GLU A 87 -2.764 18.242 -9.449 1.00 0.00 C ATOM 1358 CD GLU A 87 -4.025 19.074 -9.580 1.00 0.00 C ATOM 1359 OE1 GLU A 87 -5.100 18.593 -9.165 1.00 0.00 O ATOM 1360 OE2 GLU A 87 -3.937 20.207 -10.100 1.00 0.00 O ATOM 0 H GLU A 87 -0.833 16.576 -9.656 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.066 17.798 -7.294 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.296 16.300 -8.726 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.530 17.589 -7.561 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.916 18.901 -9.264 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.571 17.731 -10.392 1.00 0.00 H new ATOM 1367 N TYR A 88 -1.888 14.628 -6.891 1.00 0.00 N ATOM 1368 CA TYR A 88 -2.091 13.586 -5.891 1.00 0.00 C ATOM 1369 C TYR A 88 -0.921 13.534 -4.914 1.00 0.00 C ATOM 1370 O TYR A 88 -1.113 13.427 -3.702 1.00 0.00 O ATOM 1371 CB TYR A 88 -2.265 12.226 -6.569 1.00 0.00 C ATOM 1372 CG TYR A 88 -3.592 12.067 -7.276 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -4.775 11.951 -6.556 1.00 0.00 C ATOM 1374 CD2 TYR A 88 -3.663 12.032 -8.663 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -5.990 11.805 -7.197 1.00 0.00 C ATOM 1376 CE2 TYR A 88 -4.874 11.888 -9.312 1.00 0.00 C ATOM 1377 CZ TYR A 88 -6.034 11.774 -8.575 1.00 0.00 C ATOM 1378 OH TYR A 88 -7.242 11.629 -9.219 1.00 0.00 O ATOM 0 H TYR A 88 -1.903 14.296 -7.855 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.996 13.825 -5.333 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.460 12.083 -7.289 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.166 11.441 -5.820 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.744 11.975 -5.477 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.756 12.119 -9.244 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.900 11.716 -6.622 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.912 11.865 -10.391 1.00 0.00 H new ATOM 0 HH TYR A 88 -7.172 10.918 -9.890 1.00 0.00 H new ATOM 1388 N LEU A 89 0.293 13.611 -5.449 1.00 0.00 N ATOM 1389 CA LEU A 89 1.496 13.574 -4.626 1.00 0.00 C ATOM 1390 C LEU A 89 1.282 14.322 -3.314 1.00 0.00 C ATOM 1391 O LEU A 89 1.731 13.882 -2.255 1.00 0.00 O ATOM 1392 CB LEU A 89 2.677 14.181 -5.386 1.00 0.00 C ATOM 1393 CG LEU A 89 3.179 13.387 -6.592 1.00 0.00 C ATOM 1394 CD1 LEU A 89 4.050 14.260 -7.482 1.00 0.00 C ATOM 1395 CD2 LEU A 89 3.945 12.153 -6.137 1.00 0.00 C ATOM 0 H LEU A 89 0.470 13.699 -6.450 1.00 0.00 H new ATOM 0 HA LEU A 89 1.717 12.532 -4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.392 15.177 -5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.505 14.307 -4.689 1.00 0.00 H new ATOM 0 HG LEU A 89 2.316 13.061 -7.172 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.398 13.677 -8.335 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.469 15.111 -7.837 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.908 14.618 -6.913 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.295 11.600 -7.009 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.800 12.458 -5.533 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.290 11.517 -5.543 1.00 0.00 H new ATOM 1407 N LYS A 90 0.592 15.455 -3.391 1.00 0.00 N ATOM 1408 CA LYS A 90 0.314 16.264 -2.210 1.00 0.00 C ATOM 1409 C LYS A 90 -0.251 15.405 -1.083 1.00 0.00 C ATOM 1410 O LYS A 90 -1.115 14.553 -1.293 1.00 0.00 O ATOM 1411 CB LYS A 90 -0.669 17.385 -2.554 1.00 0.00 C ATOM 1412 CG LYS A 90 0.005 18.665 -3.017 1.00 0.00 C ATOM 1413 CD LYS A 90 -0.891 19.460 -3.951 1.00 0.00 C ATOM 1414 CE LYS A 90 -1.842 20.361 -3.179 1.00 0.00 C ATOM 1415 NZ LYS A 90 -1.163 21.590 -2.683 1.00 0.00 N ATOM 0 H LYS A 90 0.215 15.834 -4.260 1.00 0.00 H new ATOM 0 HA LYS A 90 1.252 16.704 -1.872 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.345 17.037 -3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.280 17.603 -1.678 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.263 19.275 -2.151 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.938 18.423 -3.525 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.277 20.064 -4.619 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.464 18.776 -4.577 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.677 20.642 -3.821 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.259 19.811 -2.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.647 21.934 -1.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.172 21.371 -2.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.195 22.325 -3.418 1.00 0.00 H new ATOM 1429 N PRO A 91 0.245 15.634 0.142 1.00 0.00 N ATOM 1430 CA PRO A 91 -0.199 14.893 1.326 1.00 0.00 C ATOM 1431 C PRO A 91 -1.626 15.246 1.731 1.00 0.00 C ATOM 1432 O PRO A 91 -1.855 16.214 2.456 1.00 0.00 O ATOM 1433 CB PRO A 91 0.789 15.332 2.410 1.00 0.00 C ATOM 1434 CG PRO A 91 1.263 16.674 1.969 1.00 0.00 C ATOM 1435 CD PRO A 91 1.276 16.634 0.465 1.00 0.00 C ATOM 0 HA PRO A 91 -0.212 13.817 1.152 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.308 15.383 3.387 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.617 14.629 2.499 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.602 17.461 2.333 1.00 0.00 H new ATOM 0 HG3 PRO A 91 2.257 16.886 2.363 1.00 0.00 H new ATOM 0 HD2 PRO A 91 1.040 17.607 0.035 1.00 0.00 H new ATOM 0 HD3 PRO A 91 2.253 16.343 0.079 1.00 0.00 H new ATOM 1443 N VAL A 92 -2.583 14.455 1.258 1.00 0.00 N ATOM 1444 CA VAL A 92 -3.989 14.683 1.572 1.00 0.00 C ATOM 1445 C VAL A 92 -4.187 14.922 3.064 1.00 0.00 C ATOM 1446 O VAL A 92 -5.061 15.687 3.472 1.00 0.00 O ATOM 1447 CB VAL A 92 -4.863 13.493 1.133 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -6.328 13.765 1.440 1.00 0.00 C ATOM 1449 CG2 VAL A 92 -4.665 13.205 -0.348 1.00 0.00 C ATOM 0 H VAL A 92 -2.411 13.650 0.656 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.296 15.572 1.021 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.556 12.611 1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.930 12.914 1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.453 13.919 2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.652 14.658 0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.290 12.361 -0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.944 14.083 -0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.619 12.964 -0.535 1.00 0.00 H new ATOM 1459 N LEU A 93 -3.369 14.262 3.877 1.00 0.00 N ATOM 1460 CA LEU A 93 -3.453 14.402 5.326 1.00 0.00 C ATOM 1461 C LEU A 93 -2.159 14.977 5.894 1.00 0.00 C ATOM 1462 O LEU A 93 -1.255 15.351 5.147 1.00 0.00 O ATOM 1463 CB LEU A 93 -3.749 13.047 5.973 1.00 0.00 C ATOM 1464 CG LEU A 93 -4.518 12.046 5.111 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -3.559 11.220 4.268 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -5.379 11.142 5.982 1.00 0.00 C ATOM 0 H LEU A 93 -2.640 13.625 3.557 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.266 15.092 5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.803 12.592 6.266 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.316 13.220 6.888 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.173 12.602 4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.125 10.513 3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.986 11.880 3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.878 10.674 4.921 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.919 10.436 5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.743 10.594 6.678 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.092 11.748 6.542 1.00 0.00 H new ATOM 1478 N GLU A 94 -2.077 15.041 7.219 1.00 0.00 N ATOM 1479 CA GLU A 94 -0.892 15.569 7.886 1.00 0.00 C ATOM 1480 C GLU A 94 -0.056 14.442 8.483 1.00 0.00 C ATOM 1481 O GLU A 94 -0.485 13.288 8.519 1.00 0.00 O ATOM 1482 CB GLU A 94 -1.295 16.557 8.983 1.00 0.00 C ATOM 1483 CG GLU A 94 -0.286 17.672 9.199 1.00 0.00 C ATOM 1484 CD GLU A 94 -0.838 18.802 10.046 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -1.757 19.503 9.574 1.00 0.00 O ATOM 1486 OE2 GLU A 94 -0.351 18.985 11.181 1.00 0.00 O ATOM 0 H GLU A 94 -2.816 14.734 7.852 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.289 16.089 7.142 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.260 16.996 8.728 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.429 16.014 9.918 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.603 17.264 9.679 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.026 18.067 8.232 1.00 0.00 H new ATOM 1493 N ASP A 95 1.140 14.783 8.950 1.00 0.00 N ATOM 1494 CA ASP A 95 2.037 13.801 9.546 1.00 0.00 C ATOM 1495 C ASP A 95 1.893 12.446 8.860 1.00 0.00 C ATOM 1496 O ASP A 95 1.907 11.403 9.514 1.00 0.00 O ATOM 1497 CB ASP A 95 1.753 13.661 11.043 1.00 0.00 C ATOM 1498 CG ASP A 95 0.312 13.976 11.390 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -0.002 15.167 11.596 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -0.503 13.032 11.458 1.00 0.00 O ATOM 0 H ASP A 95 1.511 15.733 8.927 1.00 0.00 H new ATOM 0 HA ASP A 95 3.060 14.151 9.409 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.986 12.645 11.361 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.412 14.328 11.599 1.00 0.00 H new ATOM 1505 N ASP A 96 1.754 12.470 7.539 1.00 0.00 N ATOM 1506 CA ASP A 96 1.606 11.243 6.764 1.00 0.00 C ATOM 1507 C ASP A 96 2.821 10.338 6.943 1.00 0.00 C ATOM 1508 O ASP A 96 3.934 10.689 6.547 1.00 0.00 O ATOM 1509 CB ASP A 96 1.413 11.572 5.282 1.00 0.00 C ATOM 1510 CG ASP A 96 2.163 12.821 4.864 1.00 0.00 C ATOM 1511 OD1 ASP A 96 1.600 13.927 5.008 1.00 0.00 O ATOM 1512 OD2 ASP A 96 3.312 12.694 4.393 1.00 0.00 O ATOM 0 H ASP A 96 1.741 13.325 6.983 1.00 0.00 H new ATOM 0 HA ASP A 96 0.725 10.715 7.129 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.751 10.730 4.679 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.351 11.704 5.078 1.00 0.00 H new ATOM 1517 N LEU A 97 2.601 9.173 7.542 1.00 0.00 N ATOM 1518 CA LEU A 97 3.678 8.217 7.775 1.00 0.00 C ATOM 1519 C LEU A 97 3.939 7.376 6.530 1.00 0.00 C ATOM 1520 O LEU A 97 5.078 7.254 6.077 1.00 0.00 O ATOM 1521 CB LEU A 97 3.333 7.308 8.956 1.00 0.00 C ATOM 1522 CG LEU A 97 3.121 8.005 10.300 1.00 0.00 C ATOM 1523 CD1 LEU A 97 2.551 7.033 11.321 1.00 0.00 C ATOM 1524 CD2 LEU A 97 4.427 8.604 10.802 1.00 0.00 C ATOM 0 H LEU A 97 1.687 8.867 7.875 1.00 0.00 H new ATOM 0 HA LEU A 97 4.583 8.777 8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.427 6.754 8.710 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.133 6.576 9.071 1.00 0.00 H new ATOM 0 HG LEU A 97 2.404 8.814 10.159 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.407 7.547 12.271 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.594 6.652 10.966 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.243 6.203 11.459 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.257 9.096 11.760 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.166 7.813 10.927 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.794 9.333 10.080 1.00 0.00 H new ATOM 1536 N LEU A 98 2.876 6.799 5.979 1.00 0.00 N ATOM 1537 CA LEU A 98 2.989 5.971 4.784 1.00 0.00 C ATOM 1538 C LEU A 98 3.880 6.638 3.741 1.00 0.00 C ATOM 1539 O LEU A 98 4.780 6.008 3.184 1.00 0.00 O ATOM 1540 CB LEU A 98 1.604 5.705 4.192 1.00 0.00 C ATOM 1541 CG LEU A 98 0.547 5.181 5.165 1.00 0.00 C ATOM 1542 CD1 LEU A 98 -0.798 5.043 4.469 1.00 0.00 C ATOM 1543 CD2 LEU A 98 0.982 3.849 5.758 1.00 0.00 C ATOM 0 H LEU A 98 1.927 6.890 6.341 1.00 0.00 H new ATOM 0 HA LEU A 98 3.444 5.023 5.071 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.236 6.631 3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.710 4.985 3.380 1.00 0.00 H new ATOM 0 HG LEU A 98 0.440 5.900 5.977 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.537 4.669 5.177 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.115 6.016 4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.707 4.345 3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.218 3.491 6.448 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.118 3.121 4.958 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.922 3.979 6.294 1.00 0.00 H new ATOM 1555 N LEU A 99 3.626 7.916 3.483 1.00 0.00 N ATOM 1556 CA LEU A 99 4.407 8.670 2.509 1.00 0.00 C ATOM 1557 C LEU A 99 5.892 8.626 2.850 1.00 0.00 C ATOM 1558 O LEU A 99 6.742 8.586 1.961 1.00 0.00 O ATOM 1559 CB LEU A 99 3.927 10.122 2.455 1.00 0.00 C ATOM 1560 CG LEU A 99 2.737 10.402 1.535 1.00 0.00 C ATOM 1561 CD1 LEU A 99 1.500 9.665 2.024 1.00 0.00 C ATOM 1562 CD2 LEU A 99 2.470 11.897 1.449 1.00 0.00 C ATOM 0 H LEU A 99 2.885 8.452 3.935 1.00 0.00 H new ATOM 0 HA LEU A 99 4.264 8.210 1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.661 10.434 3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.761 10.748 2.138 1.00 0.00 H new ATOM 0 HG LEU A 99 2.980 10.039 0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.664 9.876 1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.695 8.593 2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.253 9.997 3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.620 12.078 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.247 12.285 2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.351 12.402 1.052 1.00 0.00 H new ATOM 1574 N GLN A 100 6.197 8.632 4.144 1.00 0.00 N ATOM 1575 CA GLN A 100 7.581 8.592 4.603 1.00 0.00 C ATOM 1576 C GLN A 100 8.193 7.215 4.365 1.00 0.00 C ATOM 1577 O GLN A 100 9.380 7.096 4.059 1.00 0.00 O ATOM 1578 CB GLN A 100 7.659 8.947 6.088 1.00 0.00 C ATOM 1579 CG GLN A 100 7.191 10.360 6.401 1.00 0.00 C ATOM 1580 CD GLN A 100 7.679 10.851 7.750 1.00 0.00 C ATOM 1581 OE1 GLN A 100 8.620 11.640 7.833 1.00 0.00 O ATOM 1582 NE2 GLN A 100 7.038 10.385 8.816 1.00 0.00 N ATOM 0 H GLN A 100 5.505 8.664 4.893 1.00 0.00 H new ATOM 0 HA GLN A 100 8.148 9.326 4.031 1.00 0.00 H new ATOM 0 HB2 GLN A 100 7.054 8.239 6.655 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.688 8.830 6.427 1.00 0.00 H new ATOM 0 HG2 GLN A 100 7.544 11.036 5.623 1.00 0.00 H new ATOM 0 HG3 GLN A 100 6.102 10.391 6.380 1.00 0.00 H new ATOM 0 HE21 GLN A 100 6.263 9.732 8.700 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.321 10.680 9.751 1.00 0.00 H new ATOM 1591 N PHE A 101 7.376 6.177 4.507 1.00 0.00 N ATOM 1592 CA PHE A 101 7.837 4.808 4.309 1.00 0.00 C ATOM 1593 C PHE A 101 8.840 4.733 3.162 1.00 0.00 C ATOM 1594 O PHE A 101 8.518 5.059 2.019 1.00 0.00 O ATOM 1595 CB PHE A 101 6.651 3.883 4.026 1.00 0.00 C ATOM 1596 CG PHE A 101 7.049 2.457 3.777 1.00 0.00 C ATOM 1597 CD1 PHE A 101 7.605 2.080 2.565 1.00 0.00 C ATOM 1598 CD2 PHE A 101 6.868 1.492 4.755 1.00 0.00 C ATOM 1599 CE1 PHE A 101 7.972 0.768 2.333 1.00 0.00 C ATOM 1600 CE2 PHE A 101 7.233 0.178 4.529 1.00 0.00 C ATOM 1601 CZ PHE A 101 7.787 -0.184 3.316 1.00 0.00 C ATOM 0 H PHE A 101 6.391 6.258 4.759 1.00 0.00 H new ATOM 0 HA PHE A 101 8.332 4.482 5.224 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.964 3.918 4.871 1.00 0.00 H new ATOM 0 HB3 PHE A 101 6.108 4.257 3.158 1.00 0.00 H new ATOM 0 HD1 PHE A 101 7.753 2.820 1.793 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.437 1.770 5.705 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.403 0.487 1.383 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.085 -0.564 5.299 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.075 -1.209 3.137 1.00 0.00 H new ATOM 1611 N ASP A 102 10.057 4.301 3.475 1.00 0.00 N ATOM 1612 CA ASP A 102 11.108 4.181 2.471 1.00 0.00 C ATOM 1613 C ASP A 102 10.764 3.102 1.449 1.00 0.00 C ATOM 1614 O ASP A 102 11.295 1.993 1.500 1.00 0.00 O ATOM 1615 CB ASP A 102 12.446 3.862 3.138 1.00 0.00 C ATOM 1616 CG ASP A 102 12.888 4.948 4.099 1.00 0.00 C ATOM 1617 OD1 ASP A 102 12.493 4.890 5.282 1.00 0.00 O ATOM 1618 OD2 ASP A 102 13.629 5.857 3.668 1.00 0.00 O ATOM 0 H ASP A 102 10.340 4.028 4.416 1.00 0.00 H new ATOM 0 HA ASP A 102 11.189 5.135 1.950 1.00 0.00 H new ATOM 0 HB2 ASP A 102 12.365 2.917 3.675 1.00 0.00 H new ATOM 0 HB3 ASP A 102 13.208 3.728 2.371 1.00 0.00 H new ATOM 1623 N VAL A 103 9.871 3.434 0.522 1.00 0.00 N ATOM 1624 CA VAL A 103 9.455 2.494 -0.511 1.00 0.00 C ATOM 1625 C VAL A 103 10.647 1.713 -1.055 1.00 0.00 C ATOM 1626 O VAL A 103 10.502 0.581 -1.514 1.00 0.00 O ATOM 1627 CB VAL A 103 8.753 3.215 -1.677 1.00 0.00 C ATOM 1628 CG1 VAL A 103 9.737 4.097 -2.430 1.00 0.00 C ATOM 1629 CG2 VAL A 103 8.104 2.207 -2.613 1.00 0.00 C ATOM 0 H VAL A 103 9.422 4.348 0.466 1.00 0.00 H new ATOM 0 HA VAL A 103 8.752 1.803 -0.046 1.00 0.00 H new ATOM 0 HB VAL A 103 7.970 3.853 -1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.223 4.598 -3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.150 4.843 -1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.544 3.483 -2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.613 2.734 -3.431 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.867 1.541 -3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.367 1.622 -2.063 1.00 0.00 H new ATOM 1639 N GLU A 104 11.825 2.327 -0.999 1.00 0.00 N ATOM 1640 CA GLU A 104 13.042 1.689 -1.486 1.00 0.00 C ATOM 1641 C GLU A 104 13.154 0.260 -0.963 1.00 0.00 C ATOM 1642 O GLU A 104 13.517 -0.656 -1.701 1.00 0.00 O ATOM 1643 CB GLU A 104 14.271 2.496 -1.065 1.00 0.00 C ATOM 1644 CG GLU A 104 14.272 3.923 -1.588 1.00 0.00 C ATOM 1645 CD GLU A 104 15.641 4.571 -1.513 1.00 0.00 C ATOM 1646 OE1 GLU A 104 16.548 4.131 -2.249 1.00 0.00 O ATOM 1647 OE2 GLU A 104 15.804 5.520 -0.717 1.00 0.00 O ATOM 0 H GLU A 104 11.962 3.265 -0.622 1.00 0.00 H new ATOM 0 HA GLU A 104 12.994 1.656 -2.574 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.326 2.517 0.023 1.00 0.00 H new ATOM 0 HB3 GLU A 104 15.168 1.988 -1.419 1.00 0.00 H new ATOM 0 HG2 GLU A 104 13.928 3.927 -2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.561 4.517 -1.014 1.00 0.00 H new ATOM 1654 N ASP A 105 12.840 0.078 0.315 1.00 0.00 N ATOM 1655 CA ASP A 105 12.905 -1.239 0.938 1.00 0.00 C ATOM 1656 C ASP A 105 12.242 -2.291 0.055 1.00 0.00 C ATOM 1657 O ASP A 105 12.653 -3.452 0.039 1.00 0.00 O ATOM 1658 CB ASP A 105 12.232 -1.210 2.311 1.00 0.00 C ATOM 1659 CG ASP A 105 13.136 -0.644 3.388 1.00 0.00 C ATOM 1660 OD1 ASP A 105 14.368 -0.817 3.278 1.00 0.00 O ATOM 1661 OD2 ASP A 105 12.612 -0.029 4.341 1.00 0.00 O ATOM 0 H ASP A 105 12.538 0.826 0.940 1.00 0.00 H new ATOM 0 HA ASP A 105 13.955 -1.504 1.062 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.322 -0.612 2.254 1.00 0.00 H new ATOM 0 HB3 ASP A 105 11.932 -2.221 2.587 1.00 0.00 H new ATOM 1666 N LEU A 106 11.215 -1.878 -0.679 1.00 0.00 N ATOM 1667 CA LEU A 106 10.494 -2.786 -1.565 1.00 0.00 C ATOM 1668 C LEU A 106 11.349 -3.164 -2.770 1.00 0.00 C ATOM 1669 O LEU A 106 11.244 -4.273 -3.295 1.00 0.00 O ATOM 1670 CB LEU A 106 9.188 -2.142 -2.034 1.00 0.00 C ATOM 1671 CG LEU A 106 8.283 -1.582 -0.936 1.00 0.00 C ATOM 1672 CD1 LEU A 106 7.003 -1.020 -1.535 1.00 0.00 C ATOM 1673 CD2 LEU A 106 7.966 -2.657 0.093 1.00 0.00 C ATOM 0 H LEU A 106 10.863 -0.921 -0.679 1.00 0.00 H new ATOM 0 HA LEU A 106 10.265 -3.693 -1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.432 -1.334 -2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.623 -2.883 -2.599 1.00 0.00 H new ATOM 0 HG LEU A 106 8.811 -0.771 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.371 -0.626 -0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.249 -0.220 -2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.470 -1.811 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.321 -2.241 0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.458 -3.489 -0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.892 -3.013 0.545 1.00 0.00 H new ATOM 1685 N TYR A 107 12.197 -2.238 -3.202 1.00 0.00 N ATOM 1686 CA TYR A 107 13.071 -2.474 -4.345 1.00 0.00 C ATOM 1687 C TYR A 107 14.242 -3.372 -3.958 1.00 0.00 C ATOM 1688 O TYR A 107 15.076 -3.001 -3.133 1.00 0.00 O ATOM 1689 CB TYR A 107 13.592 -1.146 -4.898 1.00 0.00 C ATOM 1690 CG TYR A 107 12.501 -0.139 -5.183 1.00 0.00 C ATOM 1691 CD1 TYR A 107 11.234 -0.551 -5.576 1.00 0.00 C ATOM 1692 CD2 TYR A 107 12.738 1.224 -5.061 1.00 0.00 C ATOM 1693 CE1 TYR A 107 10.234 0.366 -5.839 1.00 0.00 C ATOM 1694 CE2 TYR A 107 11.744 2.148 -5.320 1.00 0.00 C ATOM 1695 CZ TYR A 107 10.494 1.714 -5.709 1.00 0.00 C ATOM 1696 OH TYR A 107 9.501 2.631 -5.969 1.00 0.00 O ATOM 0 H TYR A 107 12.298 -1.316 -2.778 1.00 0.00 H new ATOM 0 HA TYR A 107 12.490 -2.978 -5.117 1.00 0.00 H new ATOM 0 HB2 TYR A 107 14.295 -0.716 -4.184 1.00 0.00 H new ATOM 0 HB3 TYR A 107 14.147 -1.337 -5.816 1.00 0.00 H new ATOM 0 HD1 TYR A 107 11.027 -1.606 -5.678 1.00 0.00 H new ATOM 0 HD2 TYR A 107 13.716 1.568 -4.758 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.255 0.029 -6.145 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.945 3.204 -5.218 1.00 0.00 H new ATOM 0 HH TYR A 107 8.746 2.181 -6.403 1.00 0.00 H new ATOM 1706 N GLU A 108 14.297 -4.555 -4.563 1.00 0.00 N ATOM 1707 CA GLU A 108 15.365 -5.506 -4.283 1.00 0.00 C ATOM 1708 C GLU A 108 16.678 -4.782 -3.998 1.00 0.00 C ATOM 1709 O GLU A 108 17.110 -3.908 -4.750 1.00 0.00 O ATOM 1710 CB GLU A 108 15.545 -6.467 -5.460 1.00 0.00 C ATOM 1711 CG GLU A 108 16.216 -7.776 -5.081 1.00 0.00 C ATOM 1712 CD GLU A 108 15.297 -8.701 -4.307 1.00 0.00 C ATOM 1713 OE1 GLU A 108 14.306 -9.181 -4.896 1.00 0.00 O ATOM 1714 OE2 GLU A 108 15.568 -8.944 -3.113 1.00 0.00 O ATOM 0 H GLU A 108 13.615 -4.877 -5.249 1.00 0.00 H new ATOM 0 HA GLU A 108 15.085 -6.076 -3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 108 14.569 -6.682 -5.895 1.00 0.00 H new ATOM 0 HB3 GLU A 108 16.137 -5.975 -6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 108 16.555 -8.281 -5.985 1.00 0.00 H new ATOM 0 HG3 GLU A 108 17.102 -7.566 -4.482 1.00 0.00 H new ATOM 1721 N PRO A 109 17.328 -5.153 -2.885 1.00 0.00 N ATOM 1722 CA PRO A 109 18.601 -4.552 -2.475 1.00 0.00 C ATOM 1723 C PRO A 109 19.751 -4.945 -3.395 1.00 0.00 C ATOM 1724 O PRO A 109 20.001 -6.128 -3.623 1.00 0.00 O ATOM 1725 CB PRO A 109 18.823 -5.118 -1.070 1.00 0.00 C ATOM 1726 CG PRO A 109 18.066 -6.401 -1.054 1.00 0.00 C ATOM 1727 CD PRO A 109 16.872 -6.188 -1.942 1.00 0.00 C ATOM 0 HA PRO A 109 18.568 -3.463 -2.511 1.00 0.00 H new ATOM 0 HB2 PRO A 109 19.882 -5.281 -0.872 1.00 0.00 H new ATOM 0 HB3 PRO A 109 18.457 -4.433 -0.305 1.00 0.00 H new ATOM 0 HG2 PRO A 109 18.682 -7.222 -1.419 1.00 0.00 H new ATOM 0 HG3 PRO A 109 17.758 -6.660 -0.041 1.00 0.00 H new ATOM 0 HD2 PRO A 109 16.587 -7.105 -2.458 1.00 0.00 H new ATOM 0 HD3 PRO A 109 16.002 -5.859 -1.374 1.00 0.00 H new ATOM 1735 N VAL A 110 20.449 -3.944 -3.922 1.00 0.00 N ATOM 1736 CA VAL A 110 21.575 -4.185 -4.817 1.00 0.00 C ATOM 1737 C VAL A 110 22.871 -3.637 -4.230 1.00 0.00 C ATOM 1738 O VAL A 110 23.840 -3.402 -4.952 1.00 0.00 O ATOM 1739 CB VAL A 110 21.340 -3.546 -6.199 1.00 0.00 C ATOM 1740 CG1 VAL A 110 21.400 -2.029 -6.104 1.00 0.00 C ATOM 1741 CG2 VAL A 110 22.355 -4.066 -7.206 1.00 0.00 C ATOM 0 H VAL A 110 20.255 -2.959 -3.745 1.00 0.00 H new ATOM 0 HA VAL A 110 21.661 -5.265 -4.934 1.00 0.00 H new ATOM 0 HB VAL A 110 20.344 -3.825 -6.544 1.00 0.00 H new ATOM 0 HG11 VAL A 110 21.232 -1.596 -7.090 1.00 0.00 H new ATOM 0 HG12 VAL A 110 20.631 -1.677 -5.417 1.00 0.00 H new ATOM 0 HG13 VAL A 110 22.381 -1.726 -5.737 1.00 0.00 H new ATOM 0 HG21 VAL A 110 22.174 -3.604 -8.177 1.00 0.00 H new ATOM 0 HG22 VAL A 110 23.362 -3.819 -6.869 1.00 0.00 H new ATOM 0 HG23 VAL A 110 22.257 -5.148 -7.295 1.00 0.00 H new ATOM 1751 N SER A 111 22.881 -3.436 -2.916 1.00 0.00 N ATOM 1752 CA SER A 111 24.057 -2.912 -2.232 1.00 0.00 C ATOM 1753 C SER A 111 24.478 -3.835 -1.092 1.00 0.00 C ATOM 1754 O SER A 111 23.676 -4.619 -0.583 1.00 0.00 O ATOM 1755 CB SER A 111 23.776 -1.509 -1.691 1.00 0.00 C ATOM 1756 OG SER A 111 23.840 -0.542 -2.724 1.00 0.00 O ATOM 0 H SER A 111 22.088 -3.628 -2.304 1.00 0.00 H new ATOM 0 HA SER A 111 24.873 -2.858 -2.953 1.00 0.00 H new ATOM 0 HB2 SER A 111 22.790 -1.485 -1.227 1.00 0.00 H new ATOM 0 HB3 SER A 111 24.500 -1.264 -0.914 1.00 0.00 H new ATOM 0 HG SER A 111 23.655 0.346 -2.353 1.00 0.00 H new ATOM 1762 N THR A 112 25.742 -3.735 -0.694 1.00 0.00 N ATOM 1763 CA THR A 112 26.272 -4.560 0.384 1.00 0.00 C ATOM 1764 C THR A 112 26.400 -3.761 1.676 1.00 0.00 C ATOM 1765 O THR A 112 27.025 -2.701 1.719 1.00 0.00 O ATOM 1766 CB THR A 112 27.648 -5.147 0.018 1.00 0.00 C ATOM 1767 OG1 THR A 112 28.567 -4.091 -0.282 1.00 0.00 O ATOM 1768 CG2 THR A 112 27.537 -6.084 -1.175 1.00 0.00 C ATOM 0 H THR A 112 26.418 -3.090 -1.103 1.00 0.00 H new ATOM 0 HA THR A 112 25.565 -5.376 0.534 1.00 0.00 H new ATOM 0 HB THR A 112 28.015 -5.715 0.873 1.00 0.00 H new ATOM 0 HG1 THR A 112 28.282 -3.270 0.172 1.00 0.00 H new ATOM 0 HG21 THR A 112 28.521 -6.486 -1.415 1.00 0.00 H new ATOM 0 HG22 THR A 112 26.860 -6.903 -0.933 1.00 0.00 H new ATOM 0 HG23 THR A 112 27.150 -5.535 -2.034 1.00 0.00 H new ATOM 1776 N PRO A 113 25.796 -4.279 2.755 1.00 0.00 N ATOM 1777 CA PRO A 113 25.829 -3.629 4.069 1.00 0.00 C ATOM 1778 C PRO A 113 27.216 -3.674 4.702 1.00 0.00 C ATOM 1779 O PRO A 113 27.421 -3.171 5.807 1.00 0.00 O ATOM 1780 CB PRO A 113 24.837 -4.450 4.896 1.00 0.00 C ATOM 1781 CG PRO A 113 24.816 -5.789 4.244 1.00 0.00 C ATOM 1782 CD PRO A 113 25.033 -5.538 2.777 1.00 0.00 C ATOM 0 HA PRO A 113 25.579 -2.570 4.007 1.00 0.00 H new ATOM 0 HB2 PRO A 113 25.153 -4.522 5.937 1.00 0.00 H new ATOM 0 HB3 PRO A 113 23.847 -3.993 4.894 1.00 0.00 H new ATOM 0 HG2 PRO A 113 25.596 -6.433 4.649 1.00 0.00 H new ATOM 0 HG3 PRO A 113 23.865 -6.293 4.417 1.00 0.00 H new ATOM 0 HD2 PRO A 113 25.586 -6.351 2.308 1.00 0.00 H new ATOM 0 HD3 PRO A 113 24.088 -5.445 2.241 1.00 0.00 H new ATOM 1790 N PHE A 114 28.165 -4.278 3.995 1.00 0.00 N ATOM 1791 CA PHE A 114 29.533 -4.389 4.489 1.00 0.00 C ATOM 1792 C PHE A 114 30.316 -3.109 4.212 1.00 0.00 C ATOM 1793 O PHE A 114 30.526 -2.734 3.058 1.00 0.00 O ATOM 1794 CB PHE A 114 30.237 -5.582 3.840 1.00 0.00 C ATOM 1795 CG PHE A 114 31.612 -5.837 4.387 1.00 0.00 C ATOM 1796 CD1 PHE A 114 32.703 -5.124 3.914 1.00 0.00 C ATOM 1797 CD2 PHE A 114 31.815 -6.788 5.374 1.00 0.00 C ATOM 1798 CE1 PHE A 114 33.970 -5.357 4.415 1.00 0.00 C ATOM 1799 CE2 PHE A 114 33.079 -7.025 5.879 1.00 0.00 C ATOM 1800 CZ PHE A 114 34.158 -6.308 5.400 1.00 0.00 C ATOM 0 H PHE A 114 28.012 -4.698 3.078 1.00 0.00 H new ATOM 0 HA PHE A 114 29.492 -4.543 5.567 1.00 0.00 H new ATOM 0 HB2 PHE A 114 29.627 -6.474 3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 114 30.308 -5.411 2.766 1.00 0.00 H new ATOM 0 HD1 PHE A 114 32.561 -4.378 3.146 1.00 0.00 H new ATOM 0 HD2 PHE A 114 30.975 -7.351 5.753 1.00 0.00 H new ATOM 0 HE1 PHE A 114 34.812 -4.796 4.037 1.00 0.00 H new ATOM 0 HE2 PHE A 114 33.223 -7.770 6.647 1.00 0.00 H new ATOM 0 HZ PHE A 114 35.147 -6.490 5.794 1.00 0.00 H new ATOM 1810 N SER A 115 30.746 -2.443 5.279 1.00 0.00 N ATOM 1811 CA SER A 115 31.502 -1.203 5.152 1.00 0.00 C ATOM 1812 C SER A 115 32.335 -0.943 6.404 1.00 0.00 C ATOM 1813 O SER A 115 31.886 -1.190 7.523 1.00 0.00 O ATOM 1814 CB SER A 115 30.556 -0.026 4.902 1.00 0.00 C ATOM 1815 OG SER A 115 31.265 1.109 4.437 1.00 0.00 O ATOM 0 H SER A 115 30.584 -2.741 6.241 1.00 0.00 H new ATOM 0 HA SER A 115 32.177 -1.304 4.302 1.00 0.00 H new ATOM 0 HB2 SER A 115 29.801 -0.312 4.170 1.00 0.00 H new ATOM 0 HB3 SER A 115 30.029 0.223 5.823 1.00 0.00 H new ATOM 0 HG SER A 115 30.638 1.846 4.283 1.00 0.00 H new ATOM 1821 N SER A 116 33.551 -0.444 6.205 1.00 0.00 N ATOM 1822 CA SER A 116 34.449 -0.155 7.317 1.00 0.00 C ATOM 1823 C SER A 116 34.611 1.350 7.507 1.00 0.00 C ATOM 1824 O SER A 116 34.731 2.100 6.539 1.00 0.00 O ATOM 1825 CB SER A 116 35.816 -0.800 7.077 1.00 0.00 C ATOM 1826 OG SER A 116 36.563 -0.069 6.119 1.00 0.00 O ATOM 0 H SER A 116 33.937 -0.232 5.285 1.00 0.00 H new ATOM 0 HA SER A 116 34.012 -0.573 8.223 1.00 0.00 H new ATOM 0 HB2 SER A 116 36.369 -0.848 8.015 1.00 0.00 H new ATOM 0 HB3 SER A 116 35.683 -1.826 6.733 1.00 0.00 H new ATOM 0 HG SER A 116 37.433 -0.500 5.984 1.00 0.00 H new ATOM 1832 N GLY A 117 34.612 1.785 8.763 1.00 0.00 N ATOM 1833 CA GLY A 117 34.758 3.198 9.059 1.00 0.00 C ATOM 1834 C GLY A 117 34.327 3.543 10.471 1.00 0.00 C ATOM 1835 O GLY A 117 33.167 3.867 10.726 1.00 0.00 O ATOM 0 H GLY A 117 34.514 1.184 9.581 1.00 0.00 H new ATOM 0 HA2 GLY A 117 35.799 3.490 8.919 1.00 0.00 H new ATOM 0 HA3 GLY A 117 34.166 3.777 8.350 1.00 0.00 H new ATOM 1839 N PRO A 118 35.275 3.474 11.417 1.00 0.00 N ATOM 1840 CA PRO A 118 35.009 3.777 12.827 1.00 0.00 C ATOM 1841 C PRO A 118 34.745 5.260 13.061 1.00 0.00 C ATOM 1842 O PRO A 118 35.087 6.100 12.229 1.00 0.00 O ATOM 1843 CB PRO A 118 36.298 3.345 13.531 1.00 0.00 C ATOM 1844 CG PRO A 118 37.353 3.441 12.483 1.00 0.00 C ATOM 1845 CD PRO A 118 36.678 3.095 11.184 1.00 0.00 C ATOM 0 HA PRO A 118 34.117 3.269 13.192 1.00 0.00 H new ATOM 0 HB2 PRO A 118 36.522 3.992 14.379 1.00 0.00 H new ATOM 0 HB3 PRO A 118 36.216 2.329 13.918 1.00 0.00 H new ATOM 0 HG2 PRO A 118 37.778 4.444 12.447 1.00 0.00 H new ATOM 0 HG3 PRO A 118 38.174 2.755 12.691 1.00 0.00 H new ATOM 0 HD2 PRO A 118 37.109 3.645 10.348 1.00 0.00 H new ATOM 0 HD3 PRO A 118 36.774 2.035 10.951 1.00 0.00 H new ATOM 1853 N SER A 119 34.136 5.575 14.200 1.00 0.00 N ATOM 1854 CA SER A 119 33.824 6.958 14.542 1.00 0.00 C ATOM 1855 C SER A 119 33.486 7.088 16.024 1.00 0.00 C ATOM 1856 O SER A 119 32.796 6.240 16.592 1.00 0.00 O ATOM 1857 CB SER A 119 32.654 7.463 13.695 1.00 0.00 C ATOM 1858 OG SER A 119 31.535 6.601 13.804 1.00 0.00 O ATOM 0 H SER A 119 33.849 4.892 14.901 1.00 0.00 H new ATOM 0 HA SER A 119 34.704 7.566 14.333 1.00 0.00 H new ATOM 0 HB2 SER A 119 32.376 8.467 14.016 1.00 0.00 H new ATOM 0 HB3 SER A 119 32.961 7.535 12.652 1.00 0.00 H new ATOM 0 HG SER A 119 30.801 6.947 13.255 1.00 0.00 H new ATOM 1864 N SER A 120 33.977 8.155 16.646 1.00 0.00 N ATOM 1865 CA SER A 120 33.731 8.395 18.063 1.00 0.00 C ATOM 1866 C SER A 120 33.936 9.867 18.408 1.00 0.00 C ATOM 1867 O SER A 120 34.876 10.503 17.933 1.00 0.00 O ATOM 1868 CB SER A 120 34.656 7.526 18.917 1.00 0.00 C ATOM 1869 OG SER A 120 34.336 7.640 20.293 1.00 0.00 O ATOM 0 H SER A 120 34.548 8.867 16.191 1.00 0.00 H new ATOM 0 HA SER A 120 32.695 8.130 18.277 1.00 0.00 H new ATOM 0 HB2 SER A 120 34.572 6.485 18.606 1.00 0.00 H new ATOM 0 HB3 SER A 120 35.692 7.824 18.755 1.00 0.00 H new ATOM 0 HG SER A 120 34.940 7.074 20.817 1.00 0.00 H new ATOM 1875 N GLY A 121 33.046 10.403 19.239 1.00 0.00 N ATOM 1876 CA GLY A 121 33.146 11.796 19.634 1.00 0.00 C ATOM 1877 C GLY A 121 34.457 12.110 20.325 1.00 0.00 C ATOM 1878 O GLY A 121 35.365 11.281 20.293 1.00 0.00 O ATOM 0 H GLY A 121 32.259 9.898 19.645 1.00 0.00 H new ATOM 0 HA2 GLY A 121 33.043 12.429 18.752 1.00 0.00 H new ATOM 0 HA3 GLY A 121 32.319 12.042 20.301 1.00 0.00 H new TER 1882 GLY A 121 HETATM 1883 ZN ZN A 201 -8.581 -0.278 6.724 1.00 0.00 ZN