USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 742 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= -0.0106 X(o=-0.056,f=-0.037) USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= -0.0456 USER MOD Set 2.1: A 64 ASN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Set 2.2: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 38 SER OG : rot 180:sc= -0.0065 USER MOD Set 3.2: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 87 TYR OH : rot -82:sc= 1.17 USER MOD Single : A 12 SER OG : rot -82:sc= 1.26 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 165:sc= -0.0102 (180deg=-0.143) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= -5.38! C(o=-6!,f=-5.4!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.479 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS :FLIP no HD1:sc= -2.42! C(o=-4.6!,f=-2.4!) USER MOD Single : A 73 TYR OH : rot -173:sc= 0.186 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.749 K(o=-0.75,f=-1.3!) USER MOD Single : A 81 TYR OH : rot 35:sc= 0.622 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -112:sc= -0.0297 (180deg=-1.75!) USER MOD Single : A 95 SER OG : rot -139:sc= -0.664 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -128:sc= -0.108 (180deg=-1.34) USER MOD Single : A 104 THR OG1 : rot -36:sc= -0.192 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 82 N VAL A 9 1.571 20.423 4.775 1.00 0.00 N ATOM 83 CA VAL A 9 1.487 18.995 4.497 1.00 0.00 C ATOM 84 C VAL A 9 0.138 18.430 4.927 1.00 0.00 C ATOM 85 O VAL A 9 -0.271 18.581 6.078 1.00 0.00 O ATOM 86 CB VAL A 9 2.608 18.217 5.211 1.00 0.00 C ATOM 87 CG1 VAL A 9 2.375 16.718 5.097 1.00 0.00 C ATOM 88 CG2 VAL A 9 3.967 18.598 4.643 1.00 0.00 C ATOM 0 HA VAL A 9 1.601 18.875 3.420 1.00 0.00 H new ATOM 0 HB VAL A 9 2.594 18.483 6.268 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.177 16.185 5.607 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.420 16.462 5.556 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.360 16.431 4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.747 18.039 5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.996 18.363 3.579 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.133 19.666 4.783 1.00 0.00 H new ATOM 98 N ASP A 10 -0.548 17.778 3.995 1.00 0.00 N ATOM 99 CA ASP A 10 -1.851 17.188 4.277 1.00 0.00 C ATOM 100 C ASP A 10 -1.870 15.709 3.906 1.00 0.00 C ATOM 101 O ASP A 10 -2.031 15.338 2.742 1.00 0.00 O ATOM 102 CB ASP A 10 -2.948 17.933 3.514 1.00 0.00 C ATOM 103 CG ASP A 10 -4.277 17.911 4.243 1.00 0.00 C ATOM 104 OD1 ASP A 10 -4.488 16.995 5.066 1.00 0.00 O ATOM 105 OD2 ASP A 10 -5.106 18.811 3.991 1.00 0.00 O ATOM 0 H ASP A 10 -0.223 17.645 3.037 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.039 17.277 5.347 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.640 18.967 3.357 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.070 17.484 2.528 1.00 0.00 H new ATOM 110 N PRO A 11 -1.702 14.842 4.916 1.00 0.00 N ATOM 111 CA PRO A 11 -1.696 13.390 4.719 1.00 0.00 C ATOM 112 C PRO A 11 -3.073 12.848 4.355 1.00 0.00 C ATOM 113 O PRO A 11 -3.246 11.645 4.159 1.00 0.00 O ATOM 114 CB PRO A 11 -1.252 12.850 6.081 1.00 0.00 C ATOM 115 CG PRO A 11 -1.647 13.906 7.054 1.00 0.00 C ATOM 116 CD PRO A 11 -1.506 15.214 6.326 1.00 0.00 C ATOM 0 HA PRO A 11 -1.048 13.093 3.895 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.738 11.901 6.308 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.177 12.672 6.105 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.671 13.758 7.396 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.009 13.881 7.938 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.248 15.940 6.657 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.526 15.662 6.491 1.00 0.00 H new ATOM 124 N SER A 12 -4.052 13.743 4.263 1.00 0.00 N ATOM 125 CA SER A 12 -5.415 13.354 3.926 1.00 0.00 C ATOM 126 C SER A 12 -5.697 13.590 2.445 1.00 0.00 C ATOM 127 O SER A 12 -6.837 13.485 1.992 1.00 0.00 O ATOM 128 CB SER A 12 -6.418 14.135 4.778 1.00 0.00 C ATOM 129 OG SER A 12 -6.522 15.478 4.339 1.00 0.00 O ATOM 0 H SER A 12 -3.925 14.743 4.417 1.00 0.00 H new ATOM 0 HA SER A 12 -5.524 12.290 4.134 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.395 13.655 4.726 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.107 14.113 5.823 1.00 0.00 H new ATOM 0 HG SER A 12 -5.790 16.005 4.722 1.00 0.00 H new ATOM 135 N LYS A 13 -4.648 13.912 1.695 1.00 0.00 N ATOM 136 CA LYS A 13 -4.780 14.163 0.264 1.00 0.00 C ATOM 137 C LYS A 13 -4.041 13.101 -0.545 1.00 0.00 C ATOM 138 O LYS A 13 -4.155 13.049 -1.770 1.00 0.00 O ATOM 139 CB LYS A 13 -4.237 15.552 -0.083 1.00 0.00 C ATOM 140 CG LYS A 13 -4.771 16.655 0.814 1.00 0.00 C ATOM 141 CD LYS A 13 -6.120 17.161 0.332 1.00 0.00 C ATOM 142 CE LYS A 13 -7.266 16.421 1.005 1.00 0.00 C ATOM 143 NZ LYS A 13 -8.590 16.852 0.477 1.00 0.00 N ATOM 0 H LYS A 13 -3.698 14.005 2.054 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.839 14.118 0.009 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.149 15.535 -0.016 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.489 15.783 -1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.864 16.282 1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.060 17.481 0.840 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.204 18.228 0.538 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.191 17.038 -0.749 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.146 15.349 0.852 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.229 16.596 2.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.345 16.325 0.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.716 17.870 0.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.635 16.662 -0.545 1.00 0.00 H new ATOM 157 N VAL A 14 -3.286 12.254 0.148 1.00 0.00 N ATOM 158 CA VAL A 14 -2.533 11.191 -0.505 1.00 0.00 C ATOM 159 C VAL A 14 -3.401 9.959 -0.731 1.00 0.00 C ATOM 160 O VAL A 14 -3.975 9.409 0.210 1.00 0.00 O ATOM 161 CB VAL A 14 -1.297 10.790 0.321 1.00 0.00 C ATOM 162 CG1 VAL A 14 -1.660 10.650 1.792 1.00 0.00 C ATOM 163 CG2 VAL A 14 -0.696 9.498 -0.212 1.00 0.00 C ATOM 0 H VAL A 14 -3.180 12.284 1.162 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.206 11.582 -1.469 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.549 11.578 0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.774 10.366 2.360 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.041 11.601 2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.426 9.883 1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.177 9.230 0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.436 8.700 -0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.397 9.637 -1.251 1.00 0.00 H new ATOM 173 N LYS A 15 -3.496 9.530 -1.985 1.00 0.00 N ATOM 174 CA LYS A 15 -4.293 8.361 -2.336 1.00 0.00 C ATOM 175 C LYS A 15 -3.424 7.280 -2.971 1.00 0.00 C ATOM 176 O LYS A 15 -2.276 7.530 -3.336 1.00 0.00 O ATOM 177 CB LYS A 15 -5.419 8.756 -3.295 1.00 0.00 C ATOM 178 CG LYS A 15 -6.451 9.679 -2.675 1.00 0.00 C ATOM 179 CD LYS A 15 -7.302 10.358 -3.736 1.00 0.00 C ATOM 180 CE LYS A 15 -8.516 9.518 -4.098 1.00 0.00 C ATOM 181 NZ LYS A 15 -9.542 9.530 -3.019 1.00 0.00 N ATOM 0 H LYS A 15 -3.030 9.975 -2.776 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.728 7.960 -1.420 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.986 9.244 -4.168 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.917 7.853 -3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.092 9.109 -2.003 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.948 10.435 -2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.628 11.333 -3.374 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.701 10.534 -4.628 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.956 9.895 -5.021 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.203 8.492 -4.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.443 9.169 -3.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.226 8.927 -2.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.674 10.503 -2.677 1.00 0.00 H new ATOM 195 N ILE A 16 -3.982 6.081 -3.101 1.00 0.00 N ATOM 196 CA ILE A 16 -3.257 4.963 -3.695 1.00 0.00 C ATOM 197 C ILE A 16 -4.189 4.079 -4.517 1.00 0.00 C ATOM 198 O ILE A 16 -5.325 3.821 -4.122 1.00 0.00 O ATOM 199 CB ILE A 16 -2.569 4.102 -2.618 1.00 0.00 C ATOM 200 CG1 ILE A 16 -3.615 3.403 -1.748 1.00 0.00 C ATOM 201 CG2 ILE A 16 -1.648 4.960 -1.764 1.00 0.00 C ATOM 202 CD1 ILE A 16 -3.028 2.372 -0.810 1.00 0.00 C ATOM 0 H ILE A 16 -4.932 5.858 -2.804 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.496 5.391 -4.347 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.968 3.339 -3.112 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.149 4.152 -1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.349 2.920 -2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.169 4.338 -1.008 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.885 5.415 -2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.229 5.742 -1.276 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.826 1.917 -0.224 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.518 1.602 -1.389 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.316 2.853 -0.140 1.00 0.00 H new ATOM 214 N ALA A 17 -3.698 3.617 -5.663 1.00 0.00 N ATOM 215 CA ALA A 17 -4.486 2.759 -6.539 1.00 0.00 C ATOM 216 C ALA A 17 -3.614 1.689 -7.188 1.00 0.00 C ATOM 217 O ALA A 17 -2.387 1.774 -7.160 1.00 0.00 O ATOM 218 CB ALA A 17 -5.183 3.591 -7.606 1.00 0.00 C ATOM 0 H ALA A 17 -2.759 3.822 -6.006 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.241 2.259 -5.933 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.768 2.937 -8.253 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.844 4.315 -7.129 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.437 4.118 -8.201 1.00 0.00 H new ATOM 224 N GLY A 18 -4.256 0.681 -7.771 1.00 0.00 N ATOM 225 CA GLY A 18 -3.522 -0.391 -8.418 1.00 0.00 C ATOM 226 C GLY A 18 -4.050 -1.761 -8.043 1.00 0.00 C ATOM 227 O GLY A 18 -4.954 -1.899 -7.219 1.00 0.00 O ATOM 0 H GLY A 18 -5.271 0.588 -7.807 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.579 -0.266 -9.499 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.469 -0.323 -8.145 1.00 0.00 H new ATOM 231 N PRO A 19 -3.480 -2.808 -8.660 1.00 0.00 N ATOM 232 CA PRO A 19 -3.883 -4.194 -8.404 1.00 0.00 C ATOM 233 C PRO A 19 -3.479 -4.667 -7.011 1.00 0.00 C ATOM 234 O PRO A 19 -4.244 -5.349 -6.330 1.00 0.00 O ATOM 235 CB PRO A 19 -3.134 -4.986 -9.477 1.00 0.00 C ATOM 236 CG PRO A 19 -1.950 -4.146 -9.810 1.00 0.00 C ATOM 237 CD PRO A 19 -2.397 -2.718 -9.654 1.00 0.00 C ATOM 0 HA PRO A 19 -4.965 -4.318 -8.443 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.833 -5.966 -9.108 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.759 -5.154 -10.354 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.115 -4.368 -9.146 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.608 -4.339 -10.827 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.585 -2.078 -9.308 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.751 -2.302 -10.597 1.00 0.00 H new ATOM 245 N GLY A 20 -2.270 -4.302 -6.596 1.00 0.00 N ATOM 246 CA GLY A 20 -1.785 -4.699 -5.286 1.00 0.00 C ATOM 247 C GLY A 20 -2.827 -4.515 -4.202 1.00 0.00 C ATOM 248 O GLY A 20 -2.904 -5.310 -3.263 1.00 0.00 O ATOM 0 H GLY A 20 -1.618 -3.739 -7.142 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.478 -5.744 -5.317 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.899 -4.114 -5.037 1.00 0.00 H new ATOM 252 N LEU A 21 -3.632 -3.466 -4.328 1.00 0.00 N ATOM 253 CA LEU A 21 -4.675 -3.179 -3.349 1.00 0.00 C ATOM 254 C LEU A 21 -6.009 -3.775 -3.785 1.00 0.00 C ATOM 255 O LEU A 21 -6.864 -4.084 -2.956 1.00 0.00 O ATOM 256 CB LEU A 21 -4.818 -1.669 -3.154 1.00 0.00 C ATOM 257 CG LEU A 21 -3.514 -0.890 -2.973 1.00 0.00 C ATOM 258 CD1 LEU A 21 -3.716 0.577 -3.322 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.001 -1.034 -1.547 1.00 0.00 C ATOM 0 H LEU A 21 -3.583 -2.800 -5.099 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.386 -3.635 -2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.346 -1.260 -4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.447 -1.493 -2.281 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.768 -1.305 -3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.778 1.116 -3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.038 0.663 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.477 1.005 -2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.073 -0.474 -1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.745 -0.645 -0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.817 -2.086 -1.331 1.00 0.00 H new ATOM 271 N GLY A 22 -6.181 -3.936 -5.094 1.00 0.00 N ATOM 272 CA GLY A 22 -7.413 -4.497 -5.618 1.00 0.00 C ATOM 273 C GLY A 22 -7.793 -5.797 -4.938 1.00 0.00 C ATOM 274 O GLY A 22 -6.968 -6.422 -4.272 1.00 0.00 O ATOM 0 H GLY A 22 -5.489 -3.688 -5.801 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.220 -3.775 -5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.304 -4.669 -6.689 1.00 0.00 H new ATOM 278 N SER A 23 -9.047 -6.206 -5.106 1.00 0.00 N ATOM 279 CA SER A 23 -9.535 -7.438 -4.499 1.00 0.00 C ATOM 280 C SER A 23 -9.241 -8.639 -5.393 1.00 0.00 C ATOM 281 O SER A 23 -9.901 -9.673 -5.301 1.00 0.00 O ATOM 282 CB SER A 23 -11.040 -7.340 -4.236 1.00 0.00 C ATOM 283 OG SER A 23 -11.332 -6.290 -3.332 1.00 0.00 O ATOM 0 H SER A 23 -9.742 -5.702 -5.657 1.00 0.00 H new ATOM 0 HA SER A 23 -9.015 -7.577 -3.551 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.566 -7.172 -5.176 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.404 -8.284 -3.831 1.00 0.00 H new ATOM 0 HG SER A 23 -12.299 -6.247 -3.182 1.00 0.00 H new ATOM 289 N GLY A 24 -8.244 -8.493 -6.260 1.00 0.00 N ATOM 290 CA GLY A 24 -7.878 -9.572 -7.159 1.00 0.00 C ATOM 291 C GLY A 24 -6.421 -9.967 -7.028 1.00 0.00 C ATOM 292 O GLY A 24 -5.761 -10.274 -8.021 1.00 0.00 O ATOM 0 H GLY A 24 -7.683 -7.647 -6.356 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.506 -10.439 -6.955 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.078 -9.268 -8.187 1.00 0.00 H new ATOM 296 N VAL A 25 -5.915 -9.958 -5.799 1.00 0.00 N ATOM 297 CA VAL A 25 -4.525 -10.318 -5.542 1.00 0.00 C ATOM 298 C VAL A 25 -4.382 -11.814 -5.292 1.00 0.00 C ATOM 299 O VAL A 25 -5.257 -12.441 -4.692 1.00 0.00 O ATOM 300 CB VAL A 25 -3.962 -9.550 -4.331 1.00 0.00 C ATOM 301 CG1 VAL A 25 -2.579 -10.068 -3.966 1.00 0.00 C ATOM 302 CG2 VAL A 25 -3.922 -8.057 -4.618 1.00 0.00 C ATOM 0 H VAL A 25 -6.446 -9.705 -4.966 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.957 -10.046 -6.432 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.622 -9.715 -3.480 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.197 -9.514 -3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.642 -11.127 -3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.906 -9.935 -4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.522 -7.531 -3.752 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.285 -7.870 -5.483 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.930 -7.699 -4.826 1.00 0.00 H new ATOM 312 N ARG A 26 -3.274 -12.383 -5.755 1.00 0.00 N ATOM 313 CA ARG A 26 -3.017 -13.808 -5.582 1.00 0.00 C ATOM 314 C ARG A 26 -1.712 -14.037 -4.824 1.00 0.00 C ATOM 315 O ARG A 26 -0.782 -13.236 -4.914 1.00 0.00 O ATOM 316 CB ARG A 26 -2.958 -14.505 -6.943 1.00 0.00 C ATOM 317 CG ARG A 26 -4.280 -14.495 -7.691 1.00 0.00 C ATOM 318 CD ARG A 26 -4.250 -15.427 -8.891 1.00 0.00 C ATOM 319 NE ARG A 26 -5.227 -15.045 -9.907 1.00 0.00 N ATOM 320 CZ ARG A 26 -5.598 -15.839 -10.906 1.00 0.00 C ATOM 321 NH1 ARG A 26 -5.076 -17.052 -11.021 1.00 0.00 N ATOM 322 NH2 ARG A 26 -6.494 -15.419 -11.790 1.00 0.00 N ATOM 0 H ARG A 26 -2.540 -11.879 -6.253 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.835 -14.232 -4.999 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.199 -14.020 -7.557 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.640 -15.538 -6.799 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.083 -14.794 -7.017 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.504 -13.481 -8.022 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.252 -15.422 -9.329 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.449 -16.447 -8.562 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.648 -14.118 -9.847 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.388 -17.378 -10.342 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.362 -17.660 -11.789 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.898 -14.487 -11.703 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.779 -16.029 -12.557 1.00 0.00 H new ATOM 336 N ALA A 27 -1.653 -15.135 -4.078 1.00 0.00 N ATOM 337 CA ALA A 27 -0.463 -15.470 -3.306 1.00 0.00 C ATOM 338 C ALA A 27 0.703 -15.829 -4.221 1.00 0.00 C ATOM 339 O ALA A 27 0.504 -16.337 -5.324 1.00 0.00 O ATOM 340 CB ALA A 27 -0.759 -16.617 -2.351 1.00 0.00 C ATOM 0 H ALA A 27 -2.415 -15.807 -3.992 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.178 -14.592 -2.726 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.139 -16.857 -1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.556 -16.325 -1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.072 -17.493 -2.920 1.00 0.00 H new ATOM 346 N ARG A 28 1.919 -15.559 -3.757 1.00 0.00 N ATOM 347 CA ARG A 28 3.116 -15.852 -4.535 1.00 0.00 C ATOM 348 C ARG A 28 3.049 -15.188 -5.906 1.00 0.00 C ATOM 349 O ARG A 28 3.531 -15.736 -6.898 1.00 0.00 O ATOM 350 CB ARG A 28 3.288 -17.364 -4.696 1.00 0.00 C ATOM 351 CG ARG A 28 3.532 -18.093 -3.385 1.00 0.00 C ATOM 352 CD ARG A 28 4.384 -19.335 -3.590 1.00 0.00 C ATOM 353 NE ARG A 28 4.828 -19.910 -2.322 1.00 0.00 N ATOM 354 CZ ARG A 28 4.015 -20.526 -1.471 1.00 0.00 C ATOM 355 NH1 ARG A 28 2.724 -20.645 -1.750 1.00 0.00 N ATOM 356 NH2 ARG A 28 4.492 -21.023 -0.337 1.00 0.00 N ATOM 0 H ARG A 28 2.101 -15.138 -2.846 1.00 0.00 H new ATOM 0 HA ARG A 28 3.975 -15.451 -3.998 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.396 -17.774 -5.169 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.123 -17.556 -5.370 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.026 -17.423 -2.681 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.577 -18.374 -2.940 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.813 -20.079 -4.145 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.253 -19.082 -4.197 1.00 0.00 H new ATOM 0 HE ARG A 28 5.815 -19.834 -2.077 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.353 -20.263 -2.620 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.102 -21.119 -1.095 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.484 -20.932 -0.118 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.867 -21.496 0.316 1.00 0.00 H new ATOM 370 N VAL A 29 2.447 -14.003 -5.955 1.00 0.00 N ATOM 371 CA VAL A 29 2.317 -13.263 -7.205 1.00 0.00 C ATOM 372 C VAL A 29 2.843 -11.840 -7.058 1.00 0.00 C ATOM 373 O VAL A 29 2.739 -11.235 -5.990 1.00 0.00 O ATOM 374 CB VAL A 29 0.851 -13.211 -7.677 1.00 0.00 C ATOM 375 CG1 VAL A 29 0.714 -12.312 -8.896 1.00 0.00 C ATOM 376 CG2 VAL A 29 0.338 -14.611 -7.975 1.00 0.00 C ATOM 0 H VAL A 29 2.042 -13.536 -5.144 1.00 0.00 H new ATOM 0 HA VAL A 29 2.912 -13.792 -7.950 1.00 0.00 H new ATOM 0 HB VAL A 29 0.244 -12.790 -6.876 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.328 -12.288 -9.215 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.040 -11.303 -8.642 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.332 -12.700 -9.706 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.699 -14.556 -8.307 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.946 -15.062 -8.759 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.398 -15.220 -7.073 1.00 0.00 H new ATOM 386 N LEU A 30 3.408 -11.309 -8.137 1.00 0.00 N ATOM 387 CA LEU A 30 3.952 -9.956 -8.129 1.00 0.00 C ATOM 388 C LEU A 30 2.837 -8.922 -8.002 1.00 0.00 C ATOM 389 O LEU A 30 2.036 -8.745 -8.920 1.00 0.00 O ATOM 390 CB LEU A 30 4.757 -9.700 -9.404 1.00 0.00 C ATOM 391 CG LEU A 30 5.576 -8.410 -9.434 1.00 0.00 C ATOM 392 CD1 LEU A 30 6.868 -8.580 -8.650 1.00 0.00 C ATOM 393 CD2 LEU A 30 5.871 -7.998 -10.869 1.00 0.00 C ATOM 0 H LEU A 30 3.501 -11.795 -9.029 1.00 0.00 H new ATOM 0 HA LEU A 30 4.611 -9.861 -7.266 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.434 -10.540 -9.557 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.068 -9.689 -10.248 1.00 0.00 H new ATOM 0 HG LEU A 30 4.991 -7.620 -8.964 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.438 -7.652 -8.682 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.635 -8.827 -7.614 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.458 -9.384 -9.091 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.455 -7.078 -10.871 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.436 -8.787 -11.365 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.934 -7.834 -11.400 1.00 0.00 H new ATOM 405 N GLN A 31 2.793 -8.244 -6.861 1.00 0.00 N ATOM 406 CA GLN A 31 1.777 -7.228 -6.615 1.00 0.00 C ATOM 407 C GLN A 31 2.413 -5.852 -6.442 1.00 0.00 C ATOM 408 O GLN A 31 3.314 -5.673 -5.624 1.00 0.00 O ATOM 409 CB GLN A 31 0.958 -7.583 -5.373 1.00 0.00 C ATOM 410 CG GLN A 31 0.368 -8.984 -5.414 1.00 0.00 C ATOM 411 CD GLN A 31 -0.722 -9.128 -6.456 1.00 0.00 C ATOM 412 OE1 GLN A 31 -1.059 -10.367 -6.793 1.00 0.00 O flip ATOM 413 NE2 GLN A 31 -1.254 -8.136 -6.955 1.00 0.00 N flip ATOM 0 H GLN A 31 3.449 -8.380 -6.092 1.00 0.00 H new ATOM 0 HA GLN A 31 1.115 -7.197 -7.481 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.592 -7.490 -4.491 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.150 -6.860 -5.262 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.161 -9.702 -5.622 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.037 -9.232 -4.433 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.964 -7.202 -6.666 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.985 -8.248 -7.657 1.00 0.00 H new ATOM 422 N SER A 32 1.938 -4.884 -7.220 1.00 0.00 N ATOM 423 CA SER A 32 2.464 -3.526 -7.154 1.00 0.00 C ATOM 424 C SER A 32 1.354 -2.502 -7.379 1.00 0.00 C ATOM 425 O SER A 32 0.396 -2.759 -8.108 1.00 0.00 O ATOM 426 CB SER A 32 3.568 -3.333 -8.197 1.00 0.00 C ATOM 427 OG SER A 32 3.897 -1.963 -8.343 1.00 0.00 O ATOM 0 H SER A 32 1.191 -5.015 -7.902 1.00 0.00 H new ATOM 0 HA SER A 32 2.882 -3.372 -6.159 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.455 -3.894 -7.901 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.242 -3.736 -9.156 1.00 0.00 H new ATOM 0 HG SER A 32 4.605 -1.866 -9.013 1.00 0.00 H new ATOM 433 N PHE A 33 1.491 -1.342 -6.744 1.00 0.00 N ATOM 434 CA PHE A 33 0.499 -0.280 -6.872 1.00 0.00 C ATOM 435 C PHE A 33 1.175 1.087 -6.946 1.00 0.00 C ATOM 436 O PHE A 33 2.398 1.194 -6.854 1.00 0.00 O ATOM 437 CB PHE A 33 -0.474 -0.317 -5.692 1.00 0.00 C ATOM 438 CG PHE A 33 0.206 -0.289 -4.353 1.00 0.00 C ATOM 439 CD1 PHE A 33 0.936 -1.379 -3.909 1.00 0.00 C ATOM 440 CD2 PHE A 33 0.113 0.828 -3.538 1.00 0.00 C ATOM 441 CE1 PHE A 33 1.563 -1.356 -2.677 1.00 0.00 C ATOM 442 CE2 PHE A 33 0.738 0.857 -2.306 1.00 0.00 C ATOM 443 CZ PHE A 33 1.463 -0.237 -1.874 1.00 0.00 C ATOM 0 H PHE A 33 2.278 -1.114 -6.137 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.056 -0.443 -7.796 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.152 0.533 -5.764 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.084 -1.218 -5.762 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.016 -2.257 -4.532 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.454 1.685 -3.869 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.130 -2.212 -2.343 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.660 1.734 -1.681 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.950 -0.217 -0.910 1.00 0.00 H new ATOM 453 N THR A 34 0.368 2.130 -7.114 1.00 0.00 N ATOM 454 CA THR A 34 0.884 3.490 -7.202 1.00 0.00 C ATOM 455 C THR A 34 0.347 4.358 -6.070 1.00 0.00 C ATOM 456 O THR A 34 -0.819 4.246 -5.689 1.00 0.00 O ATOM 457 CB THR A 34 0.524 4.142 -8.550 1.00 0.00 C ATOM 458 OG1 THR A 34 1.026 3.346 -9.630 1.00 0.00 O ATOM 459 CG2 THR A 34 1.095 5.549 -8.642 1.00 0.00 C ATOM 0 H THR A 34 -0.646 2.058 -7.192 1.00 0.00 H new ATOM 0 HA THR A 34 1.969 3.421 -7.119 1.00 0.00 H new ATOM 0 HB THR A 34 -0.562 4.203 -8.619 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.791 3.767 -10.483 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.827 5.988 -9.603 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.687 6.161 -7.837 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.180 5.508 -8.552 1.00 0.00 H new ATOM 467 N VAL A 35 1.202 5.223 -5.536 1.00 0.00 N ATOM 468 CA VAL A 35 0.812 6.112 -4.449 1.00 0.00 C ATOM 469 C VAL A 35 0.927 7.573 -4.865 1.00 0.00 C ATOM 470 O VAL A 35 2.027 8.098 -5.033 1.00 0.00 O ATOM 471 CB VAL A 35 1.677 5.878 -3.195 1.00 0.00 C ATOM 472 CG1 VAL A 35 1.169 6.717 -2.032 1.00 0.00 C ATOM 473 CG2 VAL A 35 1.696 4.402 -2.830 1.00 0.00 C ATOM 0 H VAL A 35 2.170 5.327 -5.839 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.228 5.885 -4.213 1.00 0.00 H new ATOM 0 HB VAL A 35 2.699 6.187 -3.416 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.792 6.539 -1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.212 7.773 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.139 6.441 -1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.311 4.255 -1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.680 4.064 -2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.111 3.828 -3.658 1.00 0.00 H new ATOM 483 N ASP A 36 -0.218 8.227 -5.030 1.00 0.00 N ATOM 484 CA ASP A 36 -0.248 9.630 -5.426 1.00 0.00 C ATOM 485 C ASP A 36 -0.293 10.539 -4.202 1.00 0.00 C ATOM 486 O ASP A 36 -1.356 10.765 -3.623 1.00 0.00 O ATOM 487 CB ASP A 36 -1.455 9.904 -6.324 1.00 0.00 C ATOM 488 CG ASP A 36 -1.404 11.279 -6.961 1.00 0.00 C ATOM 489 OD1 ASP A 36 -0.755 11.420 -8.018 1.00 0.00 O ATOM 490 OD2 ASP A 36 -2.014 12.214 -6.401 1.00 0.00 O ATOM 0 H ASP A 36 -1.138 7.807 -4.895 1.00 0.00 H new ATOM 0 HA ASP A 36 0.665 9.844 -5.982 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.501 9.146 -7.106 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.369 9.813 -5.737 1.00 0.00 H new ATOM 495 N SER A 37 0.867 11.057 -3.812 1.00 0.00 N ATOM 496 CA SER A 37 0.961 11.938 -2.654 1.00 0.00 C ATOM 497 C SER A 37 1.310 13.361 -3.080 1.00 0.00 C ATOM 498 O SER A 37 1.813 14.153 -2.284 1.00 0.00 O ATOM 499 CB SER A 37 2.012 11.414 -1.672 1.00 0.00 C ATOM 500 OG SER A 37 3.310 11.469 -2.238 1.00 0.00 O ATOM 0 H SER A 37 1.755 10.882 -4.281 1.00 0.00 H new ATOM 0 HA SER A 37 -0.011 11.954 -2.161 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.986 12.005 -0.756 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.776 10.387 -1.395 1.00 0.00 H new ATOM 0 HG SER A 37 3.964 11.131 -1.591 1.00 0.00 H new ATOM 506 N SER A 38 1.041 13.677 -4.342 1.00 0.00 N ATOM 507 CA SER A 38 1.330 15.002 -4.877 1.00 0.00 C ATOM 508 C SER A 38 0.441 16.057 -4.224 1.00 0.00 C ATOM 509 O SER A 38 0.868 17.189 -3.995 1.00 0.00 O ATOM 510 CB SER A 38 1.130 15.018 -6.394 1.00 0.00 C ATOM 511 OG SER A 38 -0.243 15.138 -6.725 1.00 0.00 O ATOM 0 H SER A 38 0.623 13.033 -5.014 1.00 0.00 H new ATOM 0 HA SER A 38 2.370 15.238 -4.653 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.686 15.848 -6.829 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.533 14.103 -6.827 1.00 0.00 H new ATOM 0 HG SER A 38 -0.345 15.148 -7.700 1.00 0.00 H new ATOM 517 N LYS A 39 -0.796 15.678 -3.926 1.00 0.00 N ATOM 518 CA LYS A 39 -1.746 16.588 -3.299 1.00 0.00 C ATOM 519 C LYS A 39 -1.482 16.702 -1.801 1.00 0.00 C ATOM 520 O LYS A 39 -1.968 17.622 -1.143 1.00 0.00 O ATOM 521 CB LYS A 39 -3.179 16.108 -3.539 1.00 0.00 C ATOM 522 CG LYS A 39 -3.577 16.090 -5.005 1.00 0.00 C ATOM 523 CD LYS A 39 -3.884 17.488 -5.515 1.00 0.00 C ATOM 524 CE LYS A 39 -4.176 17.485 -7.008 1.00 0.00 C ATOM 525 NZ LYS A 39 -2.931 17.367 -7.816 1.00 0.00 N ATOM 0 H LYS A 39 -1.165 14.745 -4.109 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.619 17.572 -3.749 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.291 15.104 -3.129 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.866 16.754 -2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.772 15.654 -5.597 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.451 15.453 -5.138 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.741 17.893 -4.976 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.039 18.145 -5.310 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.843 16.657 -7.246 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.698 18.403 -7.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.172 17.369 -8.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.305 18.171 -7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.445 16.479 -7.577 1.00 0.00 H new ATOM 539 N ALA A 40 -0.708 15.763 -1.268 1.00 0.00 N ATOM 540 CA ALA A 40 -0.376 15.760 0.152 1.00 0.00 C ATOM 541 C ALA A 40 0.705 16.789 0.465 1.00 0.00 C ATOM 542 O ALA A 40 0.663 17.453 1.500 1.00 0.00 O ATOM 543 CB ALA A 40 0.072 14.373 0.587 1.00 0.00 C ATOM 0 H ALA A 40 -0.299 14.994 -1.798 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.272 16.032 0.710 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.317 14.386 1.649 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.731 13.658 0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.952 14.079 0.016 1.00 0.00 H new ATOM 549 N GLY A 41 1.675 16.916 -0.437 1.00 0.00 N ATOM 550 CA GLY A 41 2.754 17.866 -0.238 1.00 0.00 C ATOM 551 C GLY A 41 4.109 17.284 -0.587 1.00 0.00 C ATOM 552 O GLY A 41 4.252 16.581 -1.588 1.00 0.00 O ATOM 0 H GLY A 41 1.732 16.378 -1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.573 18.750 -0.849 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.759 18.193 0.802 1.00 0.00 H new ATOM 556 N LEU A 42 5.107 17.579 0.238 1.00 0.00 N ATOM 557 CA LEU A 42 6.460 17.082 0.011 1.00 0.00 C ATOM 558 C LEU A 42 6.892 16.145 1.133 1.00 0.00 C ATOM 559 O LEU A 42 8.078 15.854 1.292 1.00 0.00 O ATOM 560 CB LEU A 42 7.443 18.251 -0.099 1.00 0.00 C ATOM 561 CG LEU A 42 7.045 19.532 0.634 1.00 0.00 C ATOM 562 CD1 LEU A 42 5.925 20.246 -0.106 1.00 0.00 C ATOM 563 CD2 LEU A 42 6.629 19.221 2.064 1.00 0.00 C ATOM 0 H LEU A 42 5.005 18.160 1.070 1.00 0.00 H new ATOM 0 HA LEU A 42 6.462 16.523 -0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.410 17.924 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.579 18.487 -1.154 1.00 0.00 H new ATOM 0 HG LEU A 42 7.911 20.194 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.656 21.155 0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.259 20.504 -1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.056 19.591 -0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.349 20.145 2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.778 18.540 2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.461 18.756 2.592 1.00 0.00 H new ATOM 575 N ALA A 43 5.921 15.672 1.907 1.00 0.00 N ATOM 576 CA ALA A 43 6.200 14.763 3.012 1.00 0.00 C ATOM 577 C ALA A 43 6.495 13.355 2.504 1.00 0.00 C ATOM 578 O ALA A 43 6.017 12.937 1.451 1.00 0.00 O ATOM 579 CB ALA A 43 5.030 14.740 3.985 1.00 0.00 C ATOM 0 H ALA A 43 4.935 15.903 1.789 1.00 0.00 H new ATOM 0 HA ALA A 43 7.086 15.126 3.534 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.252 14.057 4.805 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.867 15.742 4.381 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.132 14.404 3.466 1.00 0.00 H new ATOM 585 N PRO A 44 7.304 12.607 3.270 1.00 0.00 N ATOM 586 CA PRO A 44 7.682 11.235 2.916 1.00 0.00 C ATOM 587 C PRO A 44 6.511 10.263 3.031 1.00 0.00 C ATOM 588 O PRO A 44 5.458 10.606 3.571 1.00 0.00 O ATOM 589 CB PRO A 44 8.765 10.890 3.941 1.00 0.00 C ATOM 590 CG PRO A 44 8.476 11.770 5.108 1.00 0.00 C ATOM 591 CD PRO A 44 7.911 13.041 4.538 1.00 0.00 C ATOM 0 HA PRO A 44 8.015 11.158 1.881 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.725 9.837 4.220 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.762 11.077 3.542 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.766 11.297 5.787 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.382 11.968 5.681 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.173 13.487 5.205 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.687 13.789 4.376 1.00 0.00 H new ATOM 599 N LEU A 45 6.703 9.052 2.522 1.00 0.00 N ATOM 600 CA LEU A 45 5.663 8.030 2.569 1.00 0.00 C ATOM 601 C LEU A 45 6.195 6.738 3.180 1.00 0.00 C ATOM 602 O LEU A 45 7.291 6.288 2.847 1.00 0.00 O ATOM 603 CB LEU A 45 5.125 7.758 1.164 1.00 0.00 C ATOM 604 CG LEU A 45 4.208 6.543 1.019 1.00 0.00 C ATOM 605 CD1 LEU A 45 2.757 6.939 1.240 1.00 0.00 C ATOM 606 CD2 LEU A 45 4.385 5.901 -0.350 1.00 0.00 C ATOM 0 H LEU A 45 7.568 8.753 2.072 1.00 0.00 H new ATOM 0 HA LEU A 45 4.853 8.400 3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.581 8.641 0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.973 7.631 0.491 1.00 0.00 H new ATOM 0 HG LEU A 45 4.483 5.812 1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.120 6.061 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.641 7.351 2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.468 7.689 0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.725 5.038 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.138 6.625 -1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.420 5.579 -0.470 1.00 0.00 H new ATOM 618 N GLU A 46 5.411 6.145 4.075 1.00 0.00 N ATOM 619 CA GLU A 46 5.804 4.903 4.730 1.00 0.00 C ATOM 620 C GLU A 46 4.794 3.795 4.448 1.00 0.00 C ATOM 621 O GLU A 46 3.594 4.046 4.338 1.00 0.00 O ATOM 622 CB GLU A 46 5.934 5.118 6.240 1.00 0.00 C ATOM 623 CG GLU A 46 7.290 5.656 6.664 1.00 0.00 C ATOM 624 CD GLU A 46 7.423 5.784 8.169 1.00 0.00 C ATOM 625 OE1 GLU A 46 7.329 4.750 8.863 1.00 0.00 O ATOM 626 OE2 GLU A 46 7.619 6.918 8.654 1.00 0.00 O ATOM 0 H GLU A 46 4.501 6.504 4.363 1.00 0.00 H new ATOM 0 HA GLU A 46 6.771 4.599 4.328 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.159 5.811 6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.752 4.172 6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.072 4.996 6.289 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.449 6.632 6.205 1.00 0.00 H new ATOM 633 N VAL A 47 5.290 2.567 4.331 1.00 0.00 N ATOM 634 CA VAL A 47 4.431 1.419 4.062 1.00 0.00 C ATOM 635 C VAL A 47 4.832 0.221 4.916 1.00 0.00 C ATOM 636 O VAL A 47 6.012 0.020 5.206 1.00 0.00 O ATOM 637 CB VAL A 47 4.482 1.017 2.576 1.00 0.00 C ATOM 638 CG1 VAL A 47 3.535 -0.142 2.304 1.00 0.00 C ATOM 639 CG2 VAL A 47 4.150 2.208 1.691 1.00 0.00 C ATOM 0 H VAL A 47 6.281 2.342 4.418 1.00 0.00 H new ATOM 0 HA VAL A 47 3.414 1.718 4.315 1.00 0.00 H new ATOM 0 HB VAL A 47 5.495 0.690 2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.584 -0.412 1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.825 -0.999 2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.516 0.154 2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.191 1.906 0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.148 2.568 1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.873 3.005 1.867 1.00 0.00 H new ATOM 649 N ARG A 48 3.843 -0.572 5.315 1.00 0.00 N ATOM 650 CA ARG A 48 4.092 -1.750 6.136 1.00 0.00 C ATOM 651 C ARG A 48 3.109 -2.867 5.797 1.00 0.00 C ATOM 652 O ARG A 48 1.919 -2.623 5.602 1.00 0.00 O ATOM 653 CB ARG A 48 3.986 -1.395 7.620 1.00 0.00 C ATOM 654 CG ARG A 48 5.259 -0.802 8.198 1.00 0.00 C ATOM 655 CD ARG A 48 6.300 -1.878 8.474 1.00 0.00 C ATOM 656 NE ARG A 48 7.469 -1.344 9.166 1.00 0.00 N ATOM 657 CZ ARG A 48 8.616 -2.004 9.288 1.00 0.00 C ATOM 658 NH1 ARG A 48 8.746 -3.215 8.764 1.00 0.00 N ATOM 659 NH2 ARG A 48 9.634 -1.452 9.934 1.00 0.00 N ATOM 0 H ARG A 48 2.862 -0.420 5.083 1.00 0.00 H new ATOM 0 HA ARG A 48 5.102 -2.102 5.925 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.170 -0.685 7.757 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.726 -2.292 8.182 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.668 -0.068 7.503 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.028 -0.272 9.122 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.853 -2.669 9.076 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.612 -2.331 7.533 1.00 0.00 H new ATOM 0 HE ARG A 48 7.402 -0.414 9.578 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.965 -3.642 8.266 1.00 0.00 H new ATOM 0 HH12 ARG A 48 9.627 -3.720 8.859 1.00 0.00 H new ATOM 0 HH21 ARG A 48 9.537 -0.520 10.338 1.00 0.00 H new ATOM 0 HH22 ARG A 48 10.514 -1.959 10.027 1.00 0.00 H new ATOM 673 N VAL A 49 3.617 -4.094 5.728 1.00 0.00 N ATOM 674 CA VAL A 49 2.784 -5.249 5.412 1.00 0.00 C ATOM 675 C VAL A 49 2.720 -6.216 6.589 1.00 0.00 C ATOM 676 O VAL A 49 3.749 -6.612 7.139 1.00 0.00 O ATOM 677 CB VAL A 49 3.310 -5.997 4.174 1.00 0.00 C ATOM 678 CG1 VAL A 49 2.465 -7.233 3.899 1.00 0.00 C ATOM 679 CG2 VAL A 49 3.330 -5.076 2.964 1.00 0.00 C ATOM 0 H VAL A 49 4.600 -4.314 5.887 1.00 0.00 H new ATOM 0 HA VAL A 49 1.784 -4.872 5.200 1.00 0.00 H new ATOM 0 HB VAL A 49 4.332 -6.320 4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.851 -7.750 3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.506 -7.901 4.760 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.432 -6.935 3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.705 -5.621 2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.320 -4.721 2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.980 -4.225 3.166 1.00 0.00 H new ATOM 689 N LEU A 50 1.505 -6.597 6.969 1.00 0.00 N ATOM 690 CA LEU A 50 1.305 -7.520 8.081 1.00 0.00 C ATOM 691 C LEU A 50 0.448 -8.708 7.654 1.00 0.00 C ATOM 692 O LEU A 50 -0.700 -8.543 7.243 1.00 0.00 O ATOM 693 CB LEU A 50 0.646 -6.798 9.257 1.00 0.00 C ATOM 694 CG LEU A 50 1.582 -5.995 10.162 1.00 0.00 C ATOM 695 CD1 LEU A 50 2.393 -6.926 11.050 1.00 0.00 C ATOM 696 CD2 LEU A 50 2.501 -5.113 9.330 1.00 0.00 C ATOM 0 H LEU A 50 0.644 -6.281 6.523 1.00 0.00 H new ATOM 0 HA LEU A 50 2.281 -7.892 8.392 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.114 -6.123 8.863 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.129 -7.538 9.868 1.00 0.00 H new ATOM 0 HG LEU A 50 0.976 -5.353 10.801 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.053 -6.338 11.687 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.719 -7.515 11.672 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.989 -7.594 10.428 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.160 -4.549 9.990 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.100 -5.736 8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.903 -4.421 8.737 1.00 0.00 H new ATOM 708 N GLY A 51 1.015 -9.907 7.756 1.00 0.00 N ATOM 709 CA GLY A 51 0.289 -11.104 7.379 1.00 0.00 C ATOM 710 C GLY A 51 -0.966 -11.306 8.204 1.00 0.00 C ATOM 711 O GLY A 51 -1.269 -10.531 9.112 1.00 0.00 O ATOM 0 H GLY A 51 1.964 -10.069 8.093 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.021 -11.045 6.324 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.939 -11.971 7.495 1.00 0.00 H new ATOM 715 N PRO A 52 -1.723 -12.368 7.888 1.00 0.00 N ATOM 716 CA PRO A 52 -2.965 -12.692 8.595 1.00 0.00 C ATOM 717 C PRO A 52 -2.714 -13.171 10.021 1.00 0.00 C ATOM 718 O PRO A 52 -3.431 -12.797 10.948 1.00 0.00 O ATOM 719 CB PRO A 52 -3.570 -13.817 7.752 1.00 0.00 C ATOM 720 CG PRO A 52 -2.405 -14.444 7.067 1.00 0.00 C ATOM 721 CD PRO A 52 -1.423 -13.333 6.819 1.00 0.00 C ATOM 0 HA PRO A 52 -3.613 -11.822 8.698 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.098 -14.539 8.375 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.291 -13.429 7.032 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.963 -15.225 7.686 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.709 -14.913 6.131 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.394 -13.687 6.874 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.556 -12.892 5.831 1.00 0.00 H new ATOM 729 N ARG A 53 -1.689 -14.001 10.189 1.00 0.00 N ATOM 730 CA ARG A 53 -1.343 -14.532 11.502 1.00 0.00 C ATOM 731 C ARG A 53 -0.467 -13.549 12.272 1.00 0.00 C ATOM 732 O ARG A 53 -0.552 -13.453 13.496 1.00 0.00 O ATOM 733 CB ARG A 53 -0.620 -15.873 11.359 1.00 0.00 C ATOM 734 CG ARG A 53 -1.329 -16.852 10.437 1.00 0.00 C ATOM 735 CD ARG A 53 -0.735 -16.829 9.038 1.00 0.00 C ATOM 736 NE ARG A 53 0.331 -17.816 8.880 1.00 0.00 N ATOM 737 CZ ARG A 53 0.111 -19.103 8.642 1.00 0.00 C ATOM 738 NH1 ARG A 53 -1.130 -19.559 8.535 1.00 0.00 N ATOM 739 NH2 ARG A 53 1.133 -19.939 8.511 1.00 0.00 N ATOM 0 H ARG A 53 -1.084 -14.320 9.432 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.267 -14.683 12.060 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.387 -15.695 10.981 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.515 -16.326 12.345 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.256 -17.859 10.848 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.389 -16.604 10.387 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.520 -17.023 8.307 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.342 -15.834 8.827 1.00 0.00 H new ATOM 0 HE ARG A 53 1.297 -17.498 8.957 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.919 -18.920 8.636 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.296 -20.549 8.352 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.089 -19.593 8.593 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.963 -20.928 8.328 1.00 0.00 H new ATOM 753 N GLY A 54 0.376 -12.821 11.546 1.00 0.00 N ATOM 754 CA GLY A 54 1.257 -11.855 12.178 1.00 0.00 C ATOM 755 C GLY A 54 2.641 -11.841 11.560 1.00 0.00 C ATOM 756 O GLY A 54 3.634 -11.605 12.248 1.00 0.00 O ATOM 0 H GLY A 54 0.465 -12.883 10.532 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.817 -10.861 12.099 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.339 -12.084 13.241 1.00 0.00 H new ATOM 760 N LEU A 55 2.707 -12.094 10.257 1.00 0.00 N ATOM 761 CA LEU A 55 3.980 -12.111 9.545 1.00 0.00 C ATOM 762 C LEU A 55 4.372 -10.706 9.098 1.00 0.00 C ATOM 763 O LEU A 55 3.519 -9.835 8.933 1.00 0.00 O ATOM 764 CB LEU A 55 3.896 -13.039 8.331 1.00 0.00 C ATOM 765 CG LEU A 55 4.986 -12.862 7.275 1.00 0.00 C ATOM 766 CD1 LEU A 55 6.282 -13.519 7.729 1.00 0.00 C ATOM 767 CD2 LEU A 55 4.535 -13.437 5.940 1.00 0.00 C ATOM 0 H LEU A 55 1.894 -12.290 9.673 1.00 0.00 H new ATOM 0 HA LEU A 55 4.745 -12.483 10.227 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.924 -14.070 8.684 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.928 -12.892 7.853 1.00 0.00 H new ATOM 0 HG LEU A 55 5.169 -11.795 7.146 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.046 -13.383 6.964 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.615 -13.061 8.661 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.114 -14.584 7.888 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.324 -13.302 5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.323 -14.500 6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.634 -12.921 5.608 1.00 0.00 H new ATOM 779 N VAL A 56 5.671 -10.493 8.904 1.00 0.00 N ATOM 780 CA VAL A 56 6.176 -9.195 8.473 1.00 0.00 C ATOM 781 C VAL A 56 6.896 -9.303 7.134 1.00 0.00 C ATOM 782 O VAL A 56 7.970 -9.895 7.041 1.00 0.00 O ATOM 783 CB VAL A 56 7.140 -8.595 9.514 1.00 0.00 C ATOM 784 CG1 VAL A 56 7.681 -7.258 9.033 1.00 0.00 C ATOM 785 CG2 VAL A 56 6.445 -8.446 10.860 1.00 0.00 C ATOM 0 H VAL A 56 6.391 -11.203 9.039 1.00 0.00 H new ATOM 0 HA VAL A 56 5.313 -8.538 8.366 1.00 0.00 H new ATOM 0 HB VAL A 56 7.982 -9.276 9.639 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.360 -6.850 9.782 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.218 -7.399 8.095 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.854 -6.566 8.877 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.141 -8.021 11.584 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.584 -7.787 10.754 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.112 -9.424 11.208 1.00 0.00 H new ATOM 795 N GLU A 57 6.295 -8.726 6.098 1.00 0.00 N ATOM 796 CA GLU A 57 6.880 -8.758 4.762 1.00 0.00 C ATOM 797 C GLU A 57 7.457 -7.395 4.388 1.00 0.00 C ATOM 798 O GLU A 57 6.909 -6.346 4.728 1.00 0.00 O ATOM 799 CB GLU A 57 5.830 -9.179 3.732 1.00 0.00 C ATOM 800 CG GLU A 57 5.204 -10.533 4.021 1.00 0.00 C ATOM 801 CD GLU A 57 6.147 -11.686 3.738 1.00 0.00 C ATOM 802 OE1 GLU A 57 6.313 -12.040 2.552 1.00 0.00 O ATOM 803 OE2 GLU A 57 6.721 -12.232 4.704 1.00 0.00 O ATOM 0 H GLU A 57 5.405 -8.232 6.158 1.00 0.00 H new ATOM 0 HA GLU A 57 7.690 -9.488 4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.044 -8.425 3.697 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.291 -9.204 2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.895 -10.570 5.065 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.304 -10.649 3.417 1.00 0.00 H new ATOM 810 N PRO A 58 8.591 -7.409 3.672 1.00 0.00 N ATOM 811 CA PRO A 58 9.267 -6.184 3.236 1.00 0.00 C ATOM 812 C PRO A 58 8.482 -5.440 2.161 1.00 0.00 C ATOM 813 O PRO A 58 7.496 -5.951 1.632 1.00 0.00 O ATOM 814 CB PRO A 58 10.595 -6.694 2.671 1.00 0.00 C ATOM 815 CG PRO A 58 10.317 -8.098 2.258 1.00 0.00 C ATOM 816 CD PRO A 58 9.299 -8.622 3.232 1.00 0.00 C ATOM 0 HA PRO A 58 9.381 -5.469 4.051 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.923 -6.090 1.825 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.386 -6.651 3.419 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.936 -8.136 1.237 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.226 -8.699 2.282 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.621 -9.334 2.761 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.771 -9.137 4.068 1.00 0.00 H new ATOM 824 N VAL A 59 8.927 -4.227 1.843 1.00 0.00 N ATOM 825 CA VAL A 59 8.267 -3.413 0.830 1.00 0.00 C ATOM 826 C VAL A 59 9.286 -2.680 -0.036 1.00 0.00 C ATOM 827 O VAL A 59 10.452 -2.553 0.334 1.00 0.00 O ATOM 828 CB VAL A 59 7.317 -2.383 1.469 1.00 0.00 C ATOM 829 CG1 VAL A 59 6.052 -3.062 1.972 1.00 0.00 C ATOM 830 CG2 VAL A 59 8.018 -1.641 2.597 1.00 0.00 C ATOM 0 H VAL A 59 9.741 -3.788 2.273 1.00 0.00 H new ATOM 0 HA VAL A 59 7.687 -4.093 0.206 1.00 0.00 H new ATOM 0 HB VAL A 59 7.032 -1.657 0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.393 -2.318 2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.541 -3.544 1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.314 -3.812 2.719 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.332 -0.917 3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.334 -2.353 3.360 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.891 -1.121 2.203 1.00 0.00 H new ATOM 840 N ASN A 60 8.836 -2.200 -1.191 1.00 0.00 N ATOM 841 CA ASN A 60 9.709 -1.478 -2.109 1.00 0.00 C ATOM 842 C ASN A 60 9.212 -0.052 -2.326 1.00 0.00 C ATOM 843 O ASN A 60 8.008 0.197 -2.372 1.00 0.00 O ATOM 844 CB ASN A 60 9.788 -2.211 -3.451 1.00 0.00 C ATOM 845 CG ASN A 60 10.789 -1.577 -4.397 1.00 0.00 C ATOM 846 OD1 ASN A 60 11.985 -1.528 -4.112 1.00 0.00 O ATOM 847 ND2 ASN A 60 10.301 -1.086 -5.531 1.00 0.00 N ATOM 0 H ASN A 60 7.873 -2.298 -1.513 1.00 0.00 H new ATOM 0 HA ASN A 60 10.704 -1.433 -1.666 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.064 -3.251 -3.278 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.803 -2.216 -3.918 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.926 -0.646 -6.207 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.302 -1.149 -5.726 1.00 0.00 H new ATOM 854 N VAL A 61 10.150 0.882 -2.458 1.00 0.00 N ATOM 855 CA VAL A 61 9.808 2.283 -2.670 1.00 0.00 C ATOM 856 C VAL A 61 10.568 2.859 -3.860 1.00 0.00 C ATOM 857 O VAL A 61 11.795 2.943 -3.844 1.00 0.00 O ATOM 858 CB VAL A 61 10.113 3.131 -1.421 1.00 0.00 C ATOM 859 CG1 VAL A 61 9.765 4.591 -1.669 1.00 0.00 C ATOM 860 CG2 VAL A 61 9.359 2.592 -0.214 1.00 0.00 C ATOM 0 H VAL A 61 11.152 0.693 -2.422 1.00 0.00 H new ATOM 0 HA VAL A 61 8.738 2.321 -2.872 1.00 0.00 H new ATOM 0 HB VAL A 61 11.181 3.067 -1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.987 5.175 -0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.354 4.968 -2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 61 8.704 4.677 -1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.586 3.203 0.660 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.287 2.624 -0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.663 1.562 -0.025 1.00 0.00 H new ATOM 870 N VAL A 62 9.829 3.255 -4.891 1.00 0.00 N ATOM 871 CA VAL A 62 10.432 3.826 -6.089 1.00 0.00 C ATOM 872 C VAL A 62 9.679 5.069 -6.546 1.00 0.00 C ATOM 873 O VAL A 62 8.542 4.984 -7.010 1.00 0.00 O ATOM 874 CB VAL A 62 10.462 2.806 -7.243 1.00 0.00 C ATOM 875 CG1 VAL A 62 11.756 2.007 -7.216 1.00 0.00 C ATOM 876 CG2 VAL A 62 9.255 1.883 -7.168 1.00 0.00 C ATOM 0 H VAL A 62 8.811 3.191 -4.921 1.00 0.00 H new ATOM 0 HA VAL A 62 11.454 4.100 -5.828 1.00 0.00 H new ATOM 0 HB VAL A 62 10.418 3.349 -8.187 1.00 0.00 H new ATOM 0 HG11 VAL A 62 11.759 1.292 -8.038 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.604 2.684 -7.321 1.00 0.00 H new ATOM 0 HG13 VAL A 62 11.834 1.472 -6.270 1.00 0.00 H new ATOM 0 HG21 VAL A 62 9.292 1.169 -7.990 1.00 0.00 H new ATOM 0 HG22 VAL A 62 9.266 1.346 -6.220 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.341 2.473 -7.240 1.00 0.00 H new ATOM 886 N ASP A 63 10.320 6.225 -6.410 1.00 0.00 N ATOM 887 CA ASP A 63 9.711 7.489 -6.809 1.00 0.00 C ATOM 888 C ASP A 63 9.645 7.604 -8.328 1.00 0.00 C ATOM 889 O ASP A 63 10.644 7.408 -9.019 1.00 0.00 O ATOM 890 CB ASP A 63 10.498 8.665 -6.229 1.00 0.00 C ATOM 891 CG ASP A 63 9.928 10.006 -6.648 1.00 0.00 C ATOM 892 OD1 ASP A 63 8.761 10.288 -6.304 1.00 0.00 O ATOM 893 OD2 ASP A 63 10.649 10.773 -7.318 1.00 0.00 O ATOM 0 H ASP A 63 11.261 6.313 -6.027 1.00 0.00 H new ATOM 0 HA ASP A 63 8.695 7.514 -6.416 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.498 8.597 -5.141 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.537 8.598 -6.552 1.00 0.00 H new ATOM 898 N ASN A 64 8.461 7.923 -8.843 1.00 0.00 N ATOM 899 CA ASN A 64 8.265 8.063 -10.282 1.00 0.00 C ATOM 900 C ASN A 64 8.918 9.341 -10.797 1.00 0.00 C ATOM 901 O ASN A 64 9.590 9.336 -11.829 1.00 0.00 O ATOM 902 CB ASN A 64 6.772 8.067 -10.615 1.00 0.00 C ATOM 903 CG ASN A 64 6.135 6.704 -10.435 1.00 0.00 C ATOM 904 OD1 ASN A 64 5.922 6.313 -9.183 1.00 0.00 O flip ATOM 905 ND2 ASN A 64 5.837 6.011 -11.408 1.00 0.00 N flip ATOM 0 H ASN A 64 7.623 8.089 -8.285 1.00 0.00 H new ATOM 0 HA ASN A 64 8.737 7.213 -10.774 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.263 8.790 -9.978 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.633 8.396 -11.645 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.019 6.352 -12.352 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.408 5.096 -11.270 1.00 0.00 H new ATOM 912 N GLY A 65 8.716 10.437 -10.072 1.00 0.00 N ATOM 913 CA GLY A 65 9.292 11.708 -10.472 1.00 0.00 C ATOM 914 C GLY A 65 8.236 12.741 -10.813 1.00 0.00 C ATOM 915 O GLY A 65 8.487 13.944 -10.739 1.00 0.00 O ATOM 0 H GLY A 65 8.164 10.468 -9.215 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.921 12.088 -9.667 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.938 11.555 -11.336 1.00 0.00 H new ATOM 919 N ASP A 66 7.051 12.271 -11.190 1.00 0.00 N ATOM 920 CA ASP A 66 5.953 13.163 -11.545 1.00 0.00 C ATOM 921 C ASP A 66 5.171 13.582 -10.304 1.00 0.00 C ATOM 922 O ASP A 66 4.865 14.759 -10.119 1.00 0.00 O ATOM 923 CB ASP A 66 5.019 12.482 -12.546 1.00 0.00 C ATOM 924 CG ASP A 66 4.614 11.089 -12.106 1.00 0.00 C ATOM 925 OD1 ASP A 66 5.446 10.166 -12.217 1.00 0.00 O ATOM 926 OD2 ASP A 66 3.463 10.922 -11.650 1.00 0.00 O ATOM 0 H ASP A 66 6.827 11.278 -11.257 1.00 0.00 H new ATOM 0 HA ASP A 66 6.376 14.056 -12.004 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.125 13.092 -12.678 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.512 12.424 -13.517 1.00 0.00 H new ATOM 931 N GLY A 67 4.849 12.609 -9.457 1.00 0.00 N ATOM 932 CA GLY A 67 4.103 12.896 -8.245 1.00 0.00 C ATOM 933 C GLY A 67 3.480 11.655 -7.639 1.00 0.00 C ATOM 934 O GLY A 67 2.426 11.725 -7.007 1.00 0.00 O ATOM 0 H GLY A 67 5.091 11.627 -9.588 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.767 13.359 -7.515 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.319 13.620 -8.468 1.00 0.00 H new ATOM 938 N THR A 68 4.133 10.513 -7.831 1.00 0.00 N ATOM 939 CA THR A 68 3.635 9.249 -7.302 1.00 0.00 C ATOM 940 C THR A 68 4.784 8.335 -6.892 1.00 0.00 C ATOM 941 O THR A 68 5.955 8.676 -7.063 1.00 0.00 O ATOM 942 CB THR A 68 2.753 8.517 -8.330 1.00 0.00 C ATOM 943 OG1 THR A 68 3.539 8.136 -9.466 1.00 0.00 O ATOM 944 CG2 THR A 68 1.598 9.400 -8.779 1.00 0.00 C ATOM 0 H THR A 68 5.008 10.437 -8.349 1.00 0.00 H new ATOM 0 HA THR A 68 3.033 9.489 -6.425 1.00 0.00 H new ATOM 0 HB THR A 68 2.344 7.625 -7.856 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.972 7.669 -10.115 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.989 8.861 -9.505 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.986 9.664 -7.917 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.991 10.308 -9.237 1.00 0.00 H new ATOM 952 N HIS A 69 4.442 7.171 -6.349 1.00 0.00 N ATOM 953 CA HIS A 69 5.446 6.205 -5.916 1.00 0.00 C ATOM 954 C HIS A 69 4.936 4.778 -6.085 1.00 0.00 C ATOM 955 O HIS A 69 3.822 4.451 -5.674 1.00 0.00 O ATOM 956 CB HIS A 69 5.826 6.453 -4.455 1.00 0.00 C ATOM 957 CG HIS A 69 6.243 7.865 -4.176 1.00 0.00 C ATOM 958 ND1 HIS A 69 5.555 9.026 -4.271 1.00 0.00 N flip ATOM 959 CD2 HIS A 69 7.508 8.204 -3.745 1.00 0.00 C flip ATOM 960 CE1 HIS A 69 6.408 10.036 -3.899 1.00 0.00 C flip ATOM 961 NE2 HIS A 69 7.579 9.514 -3.586 1.00 0.00 N flip ATOM 0 H HIS A 69 3.478 6.874 -6.198 1.00 0.00 H new ATOM 0 HA HIS A 69 6.330 6.332 -6.541 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.977 6.201 -3.820 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.640 5.782 -4.181 1.00 0.00 H new ATOM 0 HD2 HIS A 69 8.314 7.508 -3.566 1.00 0.00 H new ATOM 0 HE1 HIS A 69 6.161 11.087 -3.868 1.00 0.00 H new ATOM 0 HE2 HIS A 69 8.400 10.033 -3.274 1.00 0.00 H new ATOM 970 N THR A 70 5.758 3.929 -6.695 1.00 0.00 N ATOM 971 CA THR A 70 5.390 2.537 -6.921 1.00 0.00 C ATOM 972 C THR A 70 5.920 1.640 -5.808 1.00 0.00 C ATOM 973 O THR A 70 7.060 1.790 -5.366 1.00 0.00 O ATOM 974 CB THR A 70 5.923 2.027 -8.273 1.00 0.00 C ATOM 975 OG1 THR A 70 5.109 2.529 -9.340 1.00 0.00 O ATOM 976 CG2 THR A 70 5.936 0.506 -8.311 1.00 0.00 C ATOM 0 H THR A 70 6.683 4.182 -7.041 1.00 0.00 H new ATOM 0 HA THR A 70 4.301 2.496 -6.929 1.00 0.00 H new ATOM 0 HB THR A 70 6.945 2.386 -8.395 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.455 2.202 -10.197 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.316 0.169 -9.275 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.578 0.128 -7.516 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.923 0.130 -8.169 1.00 0.00 H new ATOM 984 N VAL A 71 5.087 0.707 -5.359 1.00 0.00 N ATOM 985 CA VAL A 71 5.473 -0.216 -4.298 1.00 0.00 C ATOM 986 C VAL A 71 5.244 -1.664 -4.719 1.00 0.00 C ATOM 987 O VAL A 71 4.106 -2.127 -4.798 1.00 0.00 O ATOM 988 CB VAL A 71 4.690 0.060 -3.001 1.00 0.00 C ATOM 989 CG1 VAL A 71 5.205 -0.817 -1.870 1.00 0.00 C ATOM 990 CG2 VAL A 71 4.779 1.532 -2.628 1.00 0.00 C ATOM 0 H VAL A 71 4.140 0.570 -5.713 1.00 0.00 H new ATOM 0 HA VAL A 71 6.535 -0.058 -4.112 1.00 0.00 H new ATOM 0 HB VAL A 71 3.642 -0.185 -3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.640 -0.608 -0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.084 -1.866 -2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.260 -0.606 -1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.220 1.709 -1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.823 1.806 -2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.358 2.137 -3.431 1.00 0.00 H new ATOM 1000 N THR A 72 6.334 -2.375 -4.988 1.00 0.00 N ATOM 1001 CA THR A 72 6.253 -3.771 -5.401 1.00 0.00 C ATOM 1002 C THR A 72 6.359 -4.707 -4.203 1.00 0.00 C ATOM 1003 O THR A 72 7.134 -4.462 -3.278 1.00 0.00 O ATOM 1004 CB THR A 72 7.361 -4.123 -6.412 1.00 0.00 C ATOM 1005 OG1 THR A 72 8.639 -3.738 -5.892 1.00 0.00 O ATOM 1006 CG2 THR A 72 7.119 -3.428 -7.743 1.00 0.00 C ATOM 0 H THR A 72 7.284 -2.007 -4.927 1.00 0.00 H new ATOM 0 HA THR A 72 5.281 -3.903 -5.877 1.00 0.00 H new ATOM 0 HB THR A 72 7.345 -5.201 -6.575 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.338 -3.966 -6.540 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.914 -3.691 -8.441 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.159 -3.745 -8.150 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.111 -2.348 -7.593 1.00 0.00 H new ATOM 1014 N TYR A 73 5.576 -5.779 -4.224 1.00 0.00 N ATOM 1015 CA TYR A 73 5.580 -6.751 -3.138 1.00 0.00 C ATOM 1016 C TYR A 73 4.914 -8.054 -3.569 1.00 0.00 C ATOM 1017 O TYR A 73 4.172 -8.091 -4.552 1.00 0.00 O ATOM 1018 CB TYR A 73 4.864 -6.180 -1.912 1.00 0.00 C ATOM 1019 CG TYR A 73 3.370 -6.414 -1.922 1.00 0.00 C ATOM 1020 CD1 TYR A 73 2.825 -7.581 -1.403 1.00 0.00 C ATOM 1021 CD2 TYR A 73 2.502 -5.463 -2.448 1.00 0.00 C ATOM 1022 CE1 TYR A 73 1.461 -7.798 -1.411 1.00 0.00 C ATOM 1023 CE2 TYR A 73 1.136 -5.671 -2.458 1.00 0.00 C ATOM 1024 CZ TYR A 73 0.621 -6.840 -1.939 1.00 0.00 C ATOM 1025 OH TYR A 73 -0.739 -7.052 -1.947 1.00 0.00 O ATOM 0 H TYR A 73 4.930 -5.997 -4.982 1.00 0.00 H new ATOM 0 HA TYR A 73 6.617 -6.964 -2.879 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.288 -6.627 -1.013 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.055 -5.108 -1.856 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.479 -8.332 -0.986 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.902 -4.546 -2.856 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.054 -8.713 -1.006 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.476 -4.922 -2.870 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.178 -6.340 -2.457 1.00 0.00 H new ATOM 1035 N THR A 74 5.184 -9.123 -2.827 1.00 0.00 N ATOM 1036 CA THR A 74 4.613 -10.429 -3.132 1.00 0.00 C ATOM 1037 C THR A 74 4.144 -11.133 -1.864 1.00 0.00 C ATOM 1038 O THR A 74 4.932 -11.447 -0.971 1.00 0.00 O ATOM 1039 CB THR A 74 5.627 -11.331 -3.860 1.00 0.00 C ATOM 1040 OG1 THR A 74 6.226 -10.615 -4.947 1.00 0.00 O ATOM 1041 CG2 THR A 74 4.954 -12.590 -4.384 1.00 0.00 C ATOM 0 H THR A 74 5.795 -9.110 -2.010 1.00 0.00 H new ATOM 0 HA THR A 74 3.759 -10.255 -3.786 1.00 0.00 H new ATOM 0 HB THR A 74 6.399 -11.622 -3.147 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.871 -11.194 -5.404 1.00 0.00 H new ATOM 0 HG21 THR A 74 5.690 -13.211 -4.894 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.525 -13.147 -3.551 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.164 -12.316 -5.083 1.00 0.00 H new ATOM 1049 N PRO A 75 2.829 -11.389 -1.780 1.00 0.00 N ATOM 1050 CA PRO A 75 2.226 -12.061 -0.624 1.00 0.00 C ATOM 1051 C PRO A 75 2.618 -13.532 -0.539 1.00 0.00 C ATOM 1052 O PRO A 75 1.989 -14.388 -1.160 1.00 0.00 O ATOM 1053 CB PRO A 75 0.724 -11.921 -0.878 1.00 0.00 C ATOM 1054 CG PRO A 75 0.601 -11.780 -2.356 1.00 0.00 C ATOM 1055 CD PRO A 75 1.832 -11.043 -2.805 1.00 0.00 C ATOM 0 HA PRO A 75 2.555 -11.625 0.319 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.179 -12.793 -0.517 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.315 -11.053 -0.362 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.533 -12.756 -2.837 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.302 -11.230 -2.622 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.150 -11.360 -3.798 1.00 0.00 H new ATOM 0 HD3 PRO A 75 1.661 -9.967 -2.853 1.00 0.00 H new ATOM 1063 N SER A 76 3.661 -13.818 0.234 1.00 0.00 N ATOM 1064 CA SER A 76 4.139 -15.186 0.398 1.00 0.00 C ATOM 1065 C SER A 76 2.973 -16.171 0.403 1.00 0.00 C ATOM 1066 O SER A 76 2.946 -17.120 -0.381 1.00 0.00 O ATOM 1067 CB SER A 76 4.939 -15.318 1.694 1.00 0.00 C ATOM 1068 OG SER A 76 5.372 -16.652 1.893 1.00 0.00 O ATOM 0 H SER A 76 4.191 -13.121 0.757 1.00 0.00 H new ATOM 0 HA SER A 76 4.788 -15.422 -0.445 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.802 -14.653 1.661 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.325 -15.002 2.538 1.00 0.00 H new ATOM 0 HG SER A 76 5.882 -16.709 2.728 1.00 0.00 H new ATOM 1074 N GLN A 77 2.013 -15.938 1.292 1.00 0.00 N ATOM 1075 CA GLN A 77 0.846 -16.805 1.401 1.00 0.00 C ATOM 1076 C GLN A 77 -0.443 -16.001 1.268 1.00 0.00 C ATOM 1077 O GLN A 77 -0.424 -14.771 1.297 1.00 0.00 O ATOM 1078 CB GLN A 77 0.861 -17.551 2.737 1.00 0.00 C ATOM 1079 CG GLN A 77 1.090 -16.645 3.936 1.00 0.00 C ATOM 1080 CD GLN A 77 1.758 -17.365 5.091 1.00 0.00 C ATOM 1081 OE1 GLN A 77 2.564 -18.275 4.889 1.00 0.00 O ATOM 1082 NE2 GLN A 77 1.426 -16.961 6.312 1.00 0.00 N ATOM 0 H GLN A 77 2.020 -15.156 1.947 1.00 0.00 H new ATOM 0 HA GLN A 77 0.886 -17.530 0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.087 -18.074 2.863 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.643 -18.310 2.711 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.707 -15.799 3.635 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.134 -16.240 4.269 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.754 -16.203 6.433 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.843 -17.408 7.128 1.00 0.00 H new ATOM 1091 N GLU A 78 -1.562 -16.705 1.123 1.00 0.00 N ATOM 1092 CA GLU A 78 -2.859 -16.056 0.984 1.00 0.00 C ATOM 1093 C GLU A 78 -3.458 -15.738 2.351 1.00 0.00 C ATOM 1094 O GLU A 78 -2.914 -16.127 3.384 1.00 0.00 O ATOM 1095 CB GLU A 78 -3.817 -16.945 0.189 1.00 0.00 C ATOM 1096 CG GLU A 78 -4.183 -18.235 0.903 1.00 0.00 C ATOM 1097 CD GLU A 78 -5.201 -18.024 2.007 1.00 0.00 C ATOM 1098 OE1 GLU A 78 -6.256 -17.416 1.732 1.00 0.00 O ATOM 1099 OE2 GLU A 78 -4.942 -18.468 3.145 1.00 0.00 O ATOM 0 H GLU A 78 -1.595 -17.724 1.099 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.712 -15.120 0.445 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.728 -16.385 -0.022 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.362 -17.187 -0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.581 -18.946 0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.282 -18.680 1.325 1.00 0.00 H new ATOM 1106 N GLY A 79 -4.582 -15.027 2.348 1.00 0.00 N ATOM 1107 CA GLY A 79 -5.236 -14.669 3.593 1.00 0.00 C ATOM 1108 C GLY A 79 -5.466 -13.176 3.718 1.00 0.00 C ATOM 1109 O GLY A 79 -5.044 -12.388 2.871 1.00 0.00 O ATOM 0 H GLY A 79 -5.051 -14.693 1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.192 -15.188 3.660 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.628 -15.011 4.431 1.00 0.00 H new ATOM 1113 N PRO A 80 -6.151 -12.767 4.796 1.00 0.00 N ATOM 1114 CA PRO A 80 -6.453 -11.356 5.054 1.00 0.00 C ATOM 1115 C PRO A 80 -5.209 -10.554 5.420 1.00 0.00 C ATOM 1116 O PRO A 80 -4.851 -10.446 6.593 1.00 0.00 O ATOM 1117 CB PRO A 80 -7.421 -11.411 6.238 1.00 0.00 C ATOM 1118 CG PRO A 80 -7.105 -12.693 6.927 1.00 0.00 C ATOM 1119 CD PRO A 80 -6.684 -13.650 5.846 1.00 0.00 C ATOM 0 HA PRO A 80 -6.862 -10.860 4.174 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.281 -10.559 6.903 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.458 -11.387 5.903 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.309 -12.557 7.659 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.974 -13.071 7.466 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.930 -14.351 6.202 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.524 -14.242 5.484 1.00 0.00 H new ATOM 1127 N TYR A 81 -4.553 -9.994 4.409 1.00 0.00 N ATOM 1128 CA TYR A 81 -3.347 -9.204 4.626 1.00 0.00 C ATOM 1129 C TYR A 81 -3.696 -7.784 5.059 1.00 0.00 C ATOM 1130 O TYR A 81 -4.855 -7.375 5.006 1.00 0.00 O ATOM 1131 CB TYR A 81 -2.501 -9.167 3.352 1.00 0.00 C ATOM 1132 CG TYR A 81 -1.514 -10.307 3.246 1.00 0.00 C ATOM 1133 CD1 TYR A 81 -1.913 -11.620 3.464 1.00 0.00 C ATOM 1134 CD2 TYR A 81 -0.182 -10.072 2.930 1.00 0.00 C ATOM 1135 CE1 TYR A 81 -1.015 -12.665 3.370 1.00 0.00 C ATOM 1136 CE2 TYR A 81 0.723 -11.110 2.831 1.00 0.00 C ATOM 1137 CZ TYR A 81 0.302 -12.405 3.052 1.00 0.00 C ATOM 1138 OH TYR A 81 1.201 -13.443 2.958 1.00 0.00 O ATOM 0 H TYR A 81 -4.836 -10.073 3.432 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.772 -9.676 5.423 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.163 -9.189 2.486 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.958 -8.223 3.314 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.944 -11.827 3.711 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.152 -9.059 2.759 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.342 -13.680 3.544 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.755 -10.909 2.582 1.00 0.00 H new ATOM 0 HH TYR A 81 0.753 -14.231 2.586 1.00 0.00 H new ATOM 1148 N MET A 82 -2.684 -7.037 5.488 1.00 0.00 N ATOM 1149 CA MET A 82 -2.884 -5.661 5.929 1.00 0.00 C ATOM 1150 C MET A 82 -1.684 -4.794 5.562 1.00 0.00 C ATOM 1151 O MET A 82 -0.576 -5.008 6.055 1.00 0.00 O ATOM 1152 CB MET A 82 -3.116 -5.616 7.441 1.00 0.00 C ATOM 1153 CG MET A 82 -3.488 -4.237 7.958 1.00 0.00 C ATOM 1154 SD MET A 82 -4.352 -4.296 9.539 1.00 0.00 S ATOM 1155 CE MET A 82 -3.019 -3.899 10.668 1.00 0.00 C ATOM 0 H MET A 82 -1.718 -7.361 5.540 1.00 0.00 H new ATOM 0 HA MET A 82 -3.765 -5.267 5.422 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.909 -6.318 7.700 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.213 -5.954 7.949 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.584 -3.638 8.065 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.118 -3.736 7.223 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.397 -3.896 11.690 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.229 -4.644 10.575 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.619 -2.914 10.427 1.00 0.00 H new ATOM 1165 N VAL A 83 -1.911 -3.814 4.693 1.00 0.00 N ATOM 1166 CA VAL A 83 -0.849 -2.914 4.260 1.00 0.00 C ATOM 1167 C VAL A 83 -1.022 -1.527 4.869 1.00 0.00 C ATOM 1168 O VAL A 83 -1.784 -0.704 4.360 1.00 0.00 O ATOM 1169 CB VAL A 83 -0.811 -2.787 2.725 1.00 0.00 C ATOM 1170 CG1 VAL A 83 0.255 -1.790 2.298 1.00 0.00 C ATOM 1171 CG2 VAL A 83 -0.569 -4.146 2.086 1.00 0.00 C ATOM 0 H VAL A 83 -2.822 -3.623 4.275 1.00 0.00 H new ATOM 0 HA VAL A 83 0.091 -3.345 4.605 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.777 -2.416 2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.267 -1.714 1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.033 -0.813 2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.230 -2.128 2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.545 -4.039 1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.384 -4.546 2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.372 -4.828 2.366 1.00 0.00 H new ATOM 1181 N SER A 84 -0.311 -1.273 5.963 1.00 0.00 N ATOM 1182 CA SER A 84 -0.388 0.014 6.644 1.00 0.00 C ATOM 1183 C SER A 84 0.467 1.057 5.932 1.00 0.00 C ATOM 1184 O SER A 84 1.549 0.752 5.430 1.00 0.00 O ATOM 1185 CB SER A 84 0.064 -0.127 8.099 1.00 0.00 C ATOM 1186 OG SER A 84 0.369 1.136 8.663 1.00 0.00 O ATOM 0 H SER A 84 0.325 -1.942 6.397 1.00 0.00 H new ATOM 0 HA SER A 84 -1.426 0.346 6.625 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.721 -0.609 8.682 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.941 -0.773 8.150 1.00 0.00 H new ATOM 0 HG SER A 84 0.654 1.019 9.593 1.00 0.00 H new ATOM 1192 N VAL A 85 -0.025 2.291 5.894 1.00 0.00 N ATOM 1193 CA VAL A 85 0.694 3.381 5.245 1.00 0.00 C ATOM 1194 C VAL A 85 0.621 4.658 6.076 1.00 0.00 C ATOM 1195 O VAL A 85 -0.407 4.962 6.680 1.00 0.00 O ATOM 1196 CB VAL A 85 0.134 3.665 3.839 1.00 0.00 C ATOM 1197 CG1 VAL A 85 0.818 4.877 3.227 1.00 0.00 C ATOM 1198 CG2 VAL A 85 0.294 2.444 2.946 1.00 0.00 C ATOM 0 H VAL A 85 -0.919 2.561 6.305 1.00 0.00 H new ATOM 0 HA VAL A 85 1.734 3.066 5.157 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.930 3.885 3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.409 5.062 2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.647 5.749 3.858 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.889 4.690 3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.107 2.662 1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.351 2.191 2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.247 1.603 3.379 1.00 0.00 H new ATOM 1208 N LYS A 86 1.721 5.403 6.102 1.00 0.00 N ATOM 1209 CA LYS A 86 1.785 6.649 6.857 1.00 0.00 C ATOM 1210 C LYS A 86 2.335 7.780 5.996 1.00 0.00 C ATOM 1211 O LYS A 86 2.860 7.545 4.907 1.00 0.00 O ATOM 1212 CB LYS A 86 2.657 6.472 8.102 1.00 0.00 C ATOM 1213 CG LYS A 86 2.221 7.330 9.277 1.00 0.00 C ATOM 1214 CD LYS A 86 3.060 7.051 10.513 1.00 0.00 C ATOM 1215 CE LYS A 86 2.499 7.754 11.739 1.00 0.00 C ATOM 1216 NZ LYS A 86 1.516 6.903 12.467 1.00 0.00 N ATOM 0 H LYS A 86 2.581 5.165 5.608 1.00 0.00 H new ATOM 0 HA LYS A 86 0.772 6.909 7.164 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.639 5.424 8.402 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.689 6.714 7.850 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.304 8.384 9.010 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.171 7.139 9.498 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.097 5.977 10.694 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.084 7.381 10.340 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.316 8.020 12.410 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.019 8.685 11.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 0.566 7.317 12.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.516 5.946 12.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.779 6.851 13.472 1.00 0.00 H new ATOM 1230 N TYR A 87 2.212 9.007 6.489 1.00 0.00 N ATOM 1231 CA TYR A 87 2.697 10.175 5.763 1.00 0.00 C ATOM 1232 C TYR A 87 3.018 11.318 6.721 1.00 0.00 C ATOM 1233 O TYR A 87 2.134 11.845 7.395 1.00 0.00 O ATOM 1234 CB TYR A 87 1.657 10.632 4.738 1.00 0.00 C ATOM 1235 CG TYR A 87 2.253 11.361 3.554 1.00 0.00 C ATOM 1236 CD1 TYR A 87 2.984 10.679 2.590 1.00 0.00 C ATOM 1237 CD2 TYR A 87 2.087 12.732 3.403 1.00 0.00 C ATOM 1238 CE1 TYR A 87 3.531 11.341 1.508 1.00 0.00 C ATOM 1239 CE2 TYR A 87 2.628 13.403 2.323 1.00 0.00 C ATOM 1240 CZ TYR A 87 3.350 12.703 1.378 1.00 0.00 C ATOM 1241 OH TYR A 87 3.892 13.366 0.303 1.00 0.00 O ATOM 0 H TYR A 87 1.781 9.219 7.389 1.00 0.00 H new ATOM 0 HA TYR A 87 3.612 9.893 5.243 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.106 9.762 4.379 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.936 11.285 5.230 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.127 9.613 2.688 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.525 13.283 4.143 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.097 10.796 0.768 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.487 14.469 2.219 1.00 0.00 H new ATOM 0 HH TYR A 87 4.835 13.565 0.483 1.00 0.00 H new ATOM 1251 N ALA A 88 4.291 11.694 6.776 1.00 0.00 N ATOM 1252 CA ALA A 88 4.732 12.775 7.649 1.00 0.00 C ATOM 1253 C ALA A 88 4.418 12.465 9.109 1.00 0.00 C ATOM 1254 O ALA A 88 4.129 13.365 9.897 1.00 0.00 O ATOM 1255 CB ALA A 88 4.079 14.086 7.236 1.00 0.00 C ATOM 0 H ALA A 88 5.036 11.266 6.226 1.00 0.00 H new ATOM 0 HA ALA A 88 5.813 12.871 7.549 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.417 14.885 7.896 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.356 14.323 6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.995 13.991 7.307 1.00 0.00 H new ATOM 1261 N ASP A 89 4.478 11.186 9.462 1.00 0.00 N ATOM 1262 CA ASP A 89 4.201 10.756 10.827 1.00 0.00 C ATOM 1263 C ASP A 89 2.715 10.888 11.149 1.00 0.00 C ATOM 1264 O ASP A 89 2.340 11.182 12.283 1.00 0.00 O ATOM 1265 CB ASP A 89 5.025 11.577 11.820 1.00 0.00 C ATOM 1266 CG ASP A 89 6.477 11.702 11.404 1.00 0.00 C ATOM 1267 OD1 ASP A 89 7.184 10.673 11.404 1.00 0.00 O ATOM 1268 OD2 ASP A 89 6.907 12.828 11.079 1.00 0.00 O ATOM 0 H ASP A 89 4.716 10.429 8.821 1.00 0.00 H new ATOM 0 HA ASP A 89 4.481 9.706 10.914 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.590 12.572 11.913 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.971 11.112 12.804 1.00 0.00 H new ATOM 1273 N GLU A 90 1.876 10.671 10.140 1.00 0.00 N ATOM 1274 CA GLU A 90 0.432 10.768 10.316 1.00 0.00 C ATOM 1275 C GLU A 90 -0.291 9.730 9.463 1.00 0.00 C ATOM 1276 O GLU A 90 -0.393 9.874 8.245 1.00 0.00 O ATOM 1277 CB GLU A 90 -0.056 12.172 9.951 1.00 0.00 C ATOM 1278 CG GLU A 90 0.452 13.255 10.888 1.00 0.00 C ATOM 1279 CD GLU A 90 -0.487 14.444 10.968 1.00 0.00 C ATOM 1280 OE1 GLU A 90 -0.403 15.325 10.088 1.00 0.00 O ATOM 1281 OE2 GLU A 90 -1.305 14.492 11.911 1.00 0.00 O ATOM 0 H GLU A 90 2.171 10.427 9.195 1.00 0.00 H new ATOM 0 HA GLU A 90 0.206 10.573 11.364 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.261 12.405 8.934 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.146 12.181 9.955 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.586 12.835 11.885 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.432 13.592 10.550 1.00 0.00 H new ATOM 1288 N GLU A 91 -0.791 8.683 10.113 1.00 0.00 N ATOM 1289 CA GLU A 91 -1.503 7.619 9.414 1.00 0.00 C ATOM 1290 C GLU A 91 -2.579 8.196 8.499 1.00 0.00 C ATOM 1291 O GLU A 91 -3.554 8.787 8.964 1.00 0.00 O ATOM 1292 CB GLU A 91 -2.135 6.654 10.418 1.00 0.00 C ATOM 1293 CG GLU A 91 -1.261 5.454 10.744 1.00 0.00 C ATOM 1294 CD GLU A 91 -1.630 4.804 12.062 1.00 0.00 C ATOM 1295 OE1 GLU A 91 -2.101 5.522 12.969 1.00 0.00 O ATOM 1296 OE2 GLU A 91 -1.448 3.574 12.188 1.00 0.00 O ATOM 0 H GLU A 91 -0.716 8.549 11.121 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.783 7.075 8.802 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.354 7.194 11.339 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.087 6.302 10.021 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.347 4.719 9.944 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.218 5.768 10.778 1.00 0.00 H new ATOM 1303 N ILE A 92 -2.395 8.019 7.195 1.00 0.00 N ATOM 1304 CA ILE A 92 -3.349 8.520 6.214 1.00 0.00 C ATOM 1305 C ILE A 92 -4.757 8.011 6.507 1.00 0.00 C ATOM 1306 O ILE A 92 -4.950 6.954 7.108 1.00 0.00 O ATOM 1307 CB ILE A 92 -2.955 8.109 4.783 1.00 0.00 C ATOM 1308 CG1 ILE A 92 -2.832 6.589 4.681 1.00 0.00 C ATOM 1309 CG2 ILE A 92 -1.650 8.780 4.381 1.00 0.00 C ATOM 1310 CD1 ILE A 92 -2.609 6.093 3.270 1.00 0.00 C ATOM 0 H ILE A 92 -1.594 7.532 6.794 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.335 9.607 6.288 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.737 8.437 4.098 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.005 6.257 5.309 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.738 6.132 5.079 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.384 8.480 3.367 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.771 9.863 4.419 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.859 8.478 5.068 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.531 5.006 3.275 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.447 6.394 2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.688 6.521 2.875 1.00 0.00 H new ATOM 1322 N PRO A 93 -5.767 8.780 6.071 1.00 0.00 N ATOM 1323 CA PRO A 93 -7.175 8.426 6.272 1.00 0.00 C ATOM 1324 C PRO A 93 -7.596 7.224 5.433 1.00 0.00 C ATOM 1325 O PRO A 93 -8.767 6.843 5.422 1.00 0.00 O ATOM 1326 CB PRO A 93 -7.925 9.681 5.822 1.00 0.00 C ATOM 1327 CG PRO A 93 -7.002 10.348 4.860 1.00 0.00 C ATOM 1328 CD PRO A 93 -5.610 10.052 5.346 1.00 0.00 C ATOM 0 HA PRO A 93 -7.379 8.138 7.303 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.874 9.427 5.349 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.153 10.330 6.667 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.151 9.968 3.849 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.183 11.422 4.827 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.906 9.959 4.519 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.235 10.842 5.996 1.00 0.00 H new ATOM 1336 N ARG A 94 -6.636 6.631 4.732 1.00 0.00 N ATOM 1337 CA ARG A 94 -6.907 5.474 3.889 1.00 0.00 C ATOM 1338 C ARG A 94 -6.193 4.234 4.420 1.00 0.00 C ATOM 1339 O ARG A 94 -6.293 3.152 3.841 1.00 0.00 O ATOM 1340 CB ARG A 94 -6.471 5.749 2.449 1.00 0.00 C ATOM 1341 CG ARG A 94 -7.348 6.760 1.729 1.00 0.00 C ATOM 1342 CD ARG A 94 -6.978 6.871 0.258 1.00 0.00 C ATOM 1343 NE ARG A 94 -7.551 5.787 -0.534 1.00 0.00 N ATOM 1344 CZ ARG A 94 -8.836 5.720 -0.866 1.00 0.00 C ATOM 1345 NH1 ARG A 94 -9.676 6.668 -0.476 1.00 0.00 N ATOM 1346 NH2 ARG A 94 -9.283 4.701 -1.590 1.00 0.00 N ATOM 0 H ARG A 94 -5.662 6.934 4.731 1.00 0.00 H new ATOM 0 HA ARG A 94 -7.981 5.289 3.906 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.443 6.110 2.453 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.478 4.813 1.891 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.394 6.467 1.821 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.247 7.735 2.205 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.326 7.828 -0.132 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -5.893 6.860 0.155 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.932 5.041 -0.850 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.337 7.452 0.081 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.662 6.613 -0.733 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.640 3.969 -1.892 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.269 4.650 -1.844 1.00 0.00 H new ATOM 1360 N SER A 95 -5.473 4.401 5.525 1.00 0.00 N ATOM 1361 CA SER A 95 -4.738 3.297 6.132 1.00 0.00 C ATOM 1362 C SER A 95 -5.290 2.973 7.517 1.00 0.00 C ATOM 1363 O SER A 95 -5.859 3.824 8.202 1.00 0.00 O ATOM 1364 CB SER A 95 -3.251 3.640 6.231 1.00 0.00 C ATOM 1365 OG SER A 95 -2.661 3.027 7.364 1.00 0.00 O ATOM 0 H SER A 95 -5.383 5.289 6.018 1.00 0.00 H new ATOM 0 HA SER A 95 -4.860 2.419 5.497 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.738 3.311 5.327 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.127 4.721 6.293 1.00 0.00 H new ATOM 0 HG SER A 95 -2.044 3.656 7.792 1.00 0.00 H new ATOM 1371 N PRO A 96 -5.121 1.712 7.941 1.00 0.00 N ATOM 1372 CA PRO A 96 -4.448 0.689 7.134 1.00 0.00 C ATOM 1373 C PRO A 96 -5.270 0.274 5.919 1.00 0.00 C ATOM 1374 O PRO A 96 -6.386 0.755 5.719 1.00 0.00 O ATOM 1375 CB PRO A 96 -4.297 -0.484 8.105 1.00 0.00 C ATOM 1376 CG PRO A 96 -5.392 -0.299 9.097 1.00 0.00 C ATOM 1377 CD PRO A 96 -5.574 1.187 9.240 1.00 0.00 C ATOM 0 HA PRO A 96 -3.503 1.048 6.726 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.388 -1.440 7.588 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.320 -0.475 8.588 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.312 -0.774 8.756 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -5.134 -0.754 10.053 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.614 1.447 9.438 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.983 1.587 10.064 1.00 0.00 H new ATOM 1385 N PHE A 97 -4.713 -0.621 5.111 1.00 0.00 N ATOM 1386 CA PHE A 97 -5.396 -1.100 3.914 1.00 0.00 C ATOM 1387 C PHE A 97 -5.653 -2.601 4.000 1.00 0.00 C ATOM 1388 O PHE A 97 -4.719 -3.402 4.049 1.00 0.00 O ATOM 1389 CB PHE A 97 -4.567 -0.783 2.667 1.00 0.00 C ATOM 1390 CG PHE A 97 -4.522 0.681 2.333 1.00 0.00 C ATOM 1391 CD1 PHE A 97 -5.491 1.249 1.521 1.00 0.00 C ATOM 1392 CD2 PHE A 97 -3.512 1.488 2.832 1.00 0.00 C ATOM 1393 CE1 PHE A 97 -5.452 2.596 1.212 1.00 0.00 C ATOM 1394 CE2 PHE A 97 -3.469 2.835 2.526 1.00 0.00 C ATOM 1395 CZ PHE A 97 -4.440 3.389 1.714 1.00 0.00 C ATOM 0 H PHE A 97 -3.791 -1.030 5.263 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.356 -0.588 3.843 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.550 -1.145 2.815 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.979 -1.329 1.818 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.285 0.633 1.125 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.750 1.060 3.467 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.213 3.027 0.578 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.677 3.454 2.921 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.407 4.441 1.472 1.00 0.00 H new ATOM 1405 N LYS A 98 -6.927 -2.977 4.018 1.00 0.00 N ATOM 1406 CA LYS A 98 -7.310 -4.382 4.098 1.00 0.00 C ATOM 1407 C LYS A 98 -7.249 -5.041 2.724 1.00 0.00 C ATOM 1408 O LYS A 98 -8.077 -4.767 1.855 1.00 0.00 O ATOM 1409 CB LYS A 98 -8.721 -4.515 4.677 1.00 0.00 C ATOM 1410 CG LYS A 98 -9.789 -3.831 3.840 1.00 0.00 C ATOM 1411 CD LYS A 98 -11.008 -3.476 4.674 1.00 0.00 C ATOM 1412 CE LYS A 98 -11.774 -2.309 4.072 1.00 0.00 C ATOM 1413 NZ LYS A 98 -11.132 -1.003 4.386 1.00 0.00 N ATOM 0 H LYS A 98 -7.713 -2.328 3.978 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.604 -4.889 4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.968 -5.573 4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.734 -4.093 5.682 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.378 -2.927 3.392 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.086 -4.486 3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -11.664 -4.343 4.749 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.696 -3.224 5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.834 -2.433 2.991 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.796 -2.312 4.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.684 -0.233 3.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.097 -0.872 5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.165 -0.990 4.003 1.00 0.00 H new ATOM 1427 N VAL A 99 -6.262 -5.911 2.533 1.00 0.00 N ATOM 1428 CA VAL A 99 -6.094 -6.611 1.265 1.00 0.00 C ATOM 1429 C VAL A 99 -6.184 -8.121 1.455 1.00 0.00 C ATOM 1430 O VAL A 99 -5.247 -8.753 1.943 1.00 0.00 O ATOM 1431 CB VAL A 99 -4.744 -6.267 0.609 1.00 0.00 C ATOM 1432 CG1 VAL A 99 -4.577 -7.026 -0.698 1.00 0.00 C ATOM 1433 CG2 VAL A 99 -4.631 -4.767 0.382 1.00 0.00 C ATOM 0 H VAL A 99 -5.567 -6.148 3.241 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.902 -6.281 0.612 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.943 -6.572 1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.617 -6.770 -1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.612 -8.098 -0.503 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.381 -6.755 -1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.671 -4.541 -0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.438 -4.436 -0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.703 -4.248 1.338 1.00 0.00 H new ATOM 1443 N LYS A 100 -7.318 -8.695 1.066 1.00 0.00 N ATOM 1444 CA LYS A 100 -7.531 -10.132 1.191 1.00 0.00 C ATOM 1445 C LYS A 100 -6.876 -10.881 0.035 1.00 0.00 C ATOM 1446 O LYS A 100 -7.401 -10.905 -1.078 1.00 0.00 O ATOM 1447 CB LYS A 100 -9.028 -10.444 1.234 1.00 0.00 C ATOM 1448 CG LYS A 100 -9.337 -11.922 1.399 1.00 0.00 C ATOM 1449 CD LYS A 100 -10.748 -12.142 1.919 1.00 0.00 C ATOM 1450 CE LYS A 100 -11.787 -11.890 0.837 1.00 0.00 C ATOM 1451 NZ LYS A 100 -12.131 -10.446 0.725 1.00 0.00 N ATOM 0 H LYS A 100 -8.104 -8.186 0.661 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.071 -10.464 2.122 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.482 -9.892 2.057 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.492 -10.085 0.315 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.218 -12.429 0.441 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.620 -12.370 2.088 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.846 -13.163 2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.933 -11.479 2.764 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -11.409 -12.249 -0.120 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.688 -12.462 1.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -13.163 -10.330 0.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.686 -9.922 1.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.784 -10.076 -0.183 1.00 0.00 H new ATOM 1465 N VAL A 101 -5.729 -11.494 0.307 1.00 0.00 N ATOM 1466 CA VAL A 101 -5.005 -12.247 -0.709 1.00 0.00 C ATOM 1467 C VAL A 101 -5.731 -13.542 -1.056 1.00 0.00 C ATOM 1468 O VAL A 101 -6.339 -14.176 -0.194 1.00 0.00 O ATOM 1469 CB VAL A 101 -3.574 -12.582 -0.247 1.00 0.00 C ATOM 1470 CG1 VAL A 101 -2.804 -13.283 -1.357 1.00 0.00 C ATOM 1471 CG2 VAL A 101 -2.851 -11.322 0.201 1.00 0.00 C ATOM 0 H VAL A 101 -5.281 -11.484 1.223 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.954 -11.614 -1.595 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.635 -13.261 0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.796 -13.512 -1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.314 -14.208 -1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.750 -12.632 -2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.842 -11.577 0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.799 -10.618 -0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.393 -10.867 1.030 1.00 0.00 H new ATOM 1481 N LEU A 102 -5.664 -13.929 -2.326 1.00 0.00 N ATOM 1482 CA LEU A 102 -6.316 -15.150 -2.788 1.00 0.00 C ATOM 1483 C LEU A 102 -5.285 -16.201 -3.185 1.00 0.00 C ATOM 1484 O LEU A 102 -4.151 -15.887 -3.549 1.00 0.00 O ATOM 1485 CB LEU A 102 -7.232 -14.845 -3.975 1.00 0.00 C ATOM 1486 CG LEU A 102 -8.512 -14.072 -3.653 1.00 0.00 C ATOM 1487 CD1 LEU A 102 -9.179 -13.589 -4.930 1.00 0.00 C ATOM 1488 CD2 LEU A 102 -9.467 -14.936 -2.843 1.00 0.00 C ATOM 0 H LEU A 102 -5.166 -13.416 -3.053 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.914 -15.546 -1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.663 -14.276 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.509 -15.788 -4.446 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.247 -13.200 -3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -10.088 -13.041 -4.681 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.497 -12.933 -5.471 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.431 -14.446 -5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.372 -14.370 -2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.726 -15.827 -3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.988 -15.231 -1.910 1.00 0.00 H new ATOM 1500 N PRO A 103 -5.684 -17.480 -3.115 1.00 0.00 N ATOM 1501 CA PRO A 103 -4.810 -18.603 -3.466 1.00 0.00 C ATOM 1502 C PRO A 103 -4.526 -18.670 -4.962 1.00 0.00 C ATOM 1503 O PRO A 103 -5.447 -18.736 -5.778 1.00 0.00 O ATOM 1504 CB PRO A 103 -5.610 -19.828 -3.018 1.00 0.00 C ATOM 1505 CG PRO A 103 -7.032 -19.386 -3.052 1.00 0.00 C ATOM 1506 CD PRO A 103 -7.021 -17.927 -2.690 1.00 0.00 C ATOM 0 HA PRO A 103 -3.831 -18.521 -2.994 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.443 -20.675 -3.684 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.318 -20.147 -2.017 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.465 -19.539 -4.041 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.635 -19.958 -2.347 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -7.810 -17.379 -3.205 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -7.174 -17.777 -1.621 1.00 0.00 H new ATOM 1514 N THR A 104 -3.245 -18.655 -5.319 1.00 0.00 N ATOM 1515 CA THR A 104 -2.840 -18.715 -6.717 1.00 0.00 C ATOM 1516 C THR A 104 -3.796 -19.579 -7.531 1.00 0.00 C ATOM 1517 O THR A 104 -4.040 -19.313 -8.708 1.00 0.00 O ATOM 1518 CB THR A 104 -1.411 -19.271 -6.865 1.00 0.00 C ATOM 1519 OG1 THR A 104 -0.482 -18.421 -6.183 1.00 0.00 O ATOM 1520 CG2 THR A 104 -1.022 -19.382 -8.332 1.00 0.00 C ATOM 0 H THR A 104 -2.470 -18.602 -4.658 1.00 0.00 H new ATOM 0 HA THR A 104 -2.866 -17.694 -7.097 1.00 0.00 H new ATOM 0 HB THR A 104 -1.385 -20.267 -6.423 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.765 -17.487 -6.275 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.009 -19.777 -8.411 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.714 -20.053 -8.842 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.064 -18.396 -8.795 1.00 0.00 H new ATOM 1528 N TYR A 105 -4.335 -20.614 -6.897 1.00 0.00 N ATOM 1529 CA TYR A 105 -5.263 -21.520 -7.563 1.00 0.00 C ATOM 1530 C TYR A 105 -6.709 -21.109 -7.298 1.00 0.00 C ATOM 1531 O TYR A 105 -7.119 -20.947 -6.148 1.00 0.00 O ATOM 1532 CB TYR A 105 -5.036 -22.956 -7.090 1.00 0.00 C ATOM 1533 CG TYR A 105 -3.794 -23.595 -7.672 1.00 0.00 C ATOM 1534 CD1 TYR A 105 -2.540 -23.338 -7.133 1.00 0.00 C ATOM 1535 CD2 TYR A 105 -3.876 -24.454 -8.760 1.00 0.00 C ATOM 1536 CE1 TYR A 105 -1.403 -23.919 -7.661 1.00 0.00 C ATOM 1537 CE2 TYR A 105 -2.744 -25.041 -9.295 1.00 0.00 C ATOM 1538 CZ TYR A 105 -1.511 -24.770 -8.741 1.00 0.00 C ATOM 1539 OH TYR A 105 -0.381 -25.350 -9.271 1.00 0.00 O ATOM 0 H TYR A 105 -4.145 -20.847 -5.922 1.00 0.00 H new ATOM 0 HA TYR A 105 -5.078 -21.465 -8.636 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.964 -22.965 -6.002 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -5.904 -23.559 -7.356 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.452 -22.673 -6.287 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -4.841 -24.667 -9.196 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -0.435 -23.708 -7.230 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -2.825 -25.707 -10.141 1.00 0.00 H new ATOM 0 HH TYR A 105 -0.631 -25.923 -10.026 1.00 0.00 H new