USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 621 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 20 LYS NZ :NH3+ 170:sc= 1.38 (180deg=1.09) USER MOD Set 1.2: A 88 THR OG1 : rot -107:sc= 1.13 USER MOD Set 2.1: A 78 HIS : no HE2:sc= 0.408 K(o=1.6,f=-3.5!) USER MOD Set 2.2: B 208 THR OG1 : rot 109:sc= 1.18 USER MOD Set 3.1: A 28 SER OG : rot 180:sc= 0.395 USER MOD Set 3.2: B 209 SER OG : rot -29:sc= 0.428 USER MOD Single : A 13 THR OG1 : rot -26:sc= 0.035 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 16:sc= 1.15 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -42:sc= 0.444 USER MOD Single : A 60 HIS : no HD1:sc= -2.3! C(o=-2.3!,f=-2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.744 K(o=0.74,f=-7.5!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.498 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 84 THR OG1 : rot 81:sc= 1.22 USER MOD Single : A 87 ASN : amide:sc= -0.0368 K(o=-0.037,f=-1.3!) USER MOD Single : A 90 GLN : amide:sc= -0.024 K(o=-0.024,f=-1) USER MOD Single : A 93 HIS :FLIP no HD1:sc= -0.115 F(o=-0.96,f=-0.11) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 73 N THR A 13 -7.262 -7.785 -6.094 1.00 0.00 N ATOM 74 CA THR A 13 -6.449 -6.613 -6.003 1.00 0.00 C ATOM 75 C THR A 13 -7.244 -5.355 -6.068 1.00 0.00 C ATOM 76 O THR A 13 -8.226 -5.218 -6.796 1.00 0.00 O ATOM 77 CB THR A 13 -5.326 -6.502 -6.991 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.716 -6.725 -8.338 1.00 0.00 O ATOM 79 CG2 THR A 13 -4.226 -7.518 -6.639 1.00 0.00 C ATOM 0 HA THR A 13 -5.995 -6.739 -5.020 1.00 0.00 H new ATOM 0 HB THR A 13 -4.971 -5.474 -6.921 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.509 -7.301 -8.358 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.411 -7.436 -7.358 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.848 -7.313 -5.637 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.638 -8.527 -6.672 1.00 0.00 H new ATOM 87 N PHE A 14 -6.821 -4.360 -5.267 1.00 0.00 N ATOM 88 CA PHE A 14 -7.360 -3.035 -5.271 1.00 0.00 C ATOM 89 C PHE A 14 -6.215 -2.084 -5.343 1.00 0.00 C ATOM 90 O PHE A 14 -5.363 -2.018 -4.458 1.00 0.00 O ATOM 91 CB PHE A 14 -8.314 -2.644 -4.130 1.00 0.00 C ATOM 92 CG PHE A 14 -8.146 -3.302 -2.804 1.00 0.00 C ATOM 93 CD1 PHE A 14 -8.207 -4.665 -2.632 1.00 0.00 C ATOM 94 CD2 PHE A 14 -8.048 -2.523 -1.675 1.00 0.00 C ATOM 95 CE1 PHE A 14 -8.044 -5.242 -1.394 1.00 0.00 C ATOM 96 CE2 PHE A 14 -7.858 -3.081 -0.433 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.846 -4.449 -0.289 1.00 0.00 C ATOM 0 H PHE A 14 -6.071 -4.485 -4.587 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.015 -2.993 -6.141 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.227 -1.568 -3.979 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.332 -2.837 -4.469 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.387 -5.297 -3.489 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.122 -1.449 -1.766 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.072 -6.317 -1.290 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.718 -2.446 0.429 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.683 -4.895 0.681 1.00 0.00 H new ATOM 107 N GLU A 15 -6.139 -1.307 -6.439 1.00 0.00 N ATOM 108 CA GLU A 15 -5.163 -0.279 -6.624 1.00 0.00 C ATOM 109 C GLU A 15 -5.680 1.010 -6.081 1.00 0.00 C ATOM 110 O GLU A 15 -6.281 1.832 -6.770 1.00 0.00 O ATOM 111 CB GLU A 15 -4.736 -0.176 -8.098 1.00 0.00 C ATOM 112 CG GLU A 15 -4.570 -1.525 -8.801 1.00 0.00 C ATOM 113 CD GLU A 15 -5.793 -1.995 -9.574 1.00 0.00 C ATOM 114 OE1 GLU A 15 -6.955 -1.843 -9.111 1.00 0.00 O ATOM 115 OE2 GLU A 15 -5.596 -2.528 -10.700 1.00 0.00 O ATOM 0 H GLU A 15 -6.782 -1.399 -7.226 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.262 -0.534 -6.067 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.477 0.413 -8.638 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.793 0.368 -8.154 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.726 -1.460 -9.488 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.317 -2.279 -8.056 1.00 0.00 H new ATOM 122 N VAL A 16 -5.516 1.204 -4.762 1.00 0.00 N ATOM 123 CA VAL A 16 -6.027 2.290 -3.982 1.00 0.00 C ATOM 124 C VAL A 16 -5.198 3.523 -4.088 1.00 0.00 C ATOM 125 O VAL A 16 -4.075 3.583 -3.588 1.00 0.00 O ATOM 126 CB VAL A 16 -6.065 1.832 -2.554 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.509 2.954 -1.601 1.00 0.00 C ATOM 128 CG2 VAL A 16 -7.019 0.633 -2.422 1.00 0.00 C ATOM 0 H VAL A 16 -4.982 0.547 -4.194 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.016 2.553 -4.356 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.053 1.540 -2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.522 2.578 -0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.812 3.789 -1.672 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.508 3.291 -1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.045 0.302 -1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.021 0.929 -2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.668 -0.182 -3.054 1.00 0.00 H new ATOM 138 N GLU A 17 -5.688 4.600 -4.726 1.00 0.00 N ATOM 139 CA GLU A 17 -4.957 5.814 -4.924 1.00 0.00 C ATOM 140 C GLU A 17 -5.374 6.818 -3.906 1.00 0.00 C ATOM 141 O GLU A 17 -6.548 7.148 -3.744 1.00 0.00 O ATOM 142 CB GLU A 17 -5.067 6.271 -6.388 1.00 0.00 C ATOM 143 CG GLU A 17 -5.867 7.540 -6.687 1.00 0.00 C ATOM 144 CD GLU A 17 -6.175 7.628 -8.175 1.00 0.00 C ATOM 145 OE1 GLU A 17 -5.252 7.898 -8.989 1.00 0.00 O ATOM 146 OE2 GLU A 17 -7.355 7.404 -8.556 1.00 0.00 O ATOM 0 H GLU A 17 -6.629 4.627 -5.119 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.890 5.662 -4.763 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.056 6.416 -6.769 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.509 5.455 -6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.795 7.537 -6.116 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.302 8.418 -6.372 1.00 0.00 H new ATOM 153 N LEU A 18 -4.397 7.296 -3.115 1.00 0.00 N ATOM 154 CA LEU A 18 -4.624 8.129 -1.976 1.00 0.00 C ATOM 155 C LEU A 18 -3.887 9.415 -2.133 1.00 0.00 C ATOM 156 O LEU A 18 -3.083 9.579 -3.049 1.00 0.00 O ATOM 157 CB LEU A 18 -4.075 7.451 -0.709 1.00 0.00 C ATOM 158 CG LEU A 18 -4.631 6.039 -0.462 1.00 0.00 C ATOM 159 CD1 LEU A 18 -3.883 5.436 0.739 1.00 0.00 C ATOM 160 CD2 LEU A 18 -6.162 6.035 -0.311 1.00 0.00 C ATOM 0 H LEU A 18 -3.410 7.094 -3.276 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.697 8.300 -1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.989 7.395 -0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.305 8.076 0.154 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.453 5.406 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.260 4.432 0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.817 5.387 0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.041 6.061 1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.508 5.016 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.446 6.663 0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.618 6.424 -1.221 1.00 0.00 H new ATOM 172 N ALA A 19 -4.124 10.362 -1.208 1.00 0.00 N ATOM 173 CA ALA A 19 -3.252 11.470 -0.973 1.00 0.00 C ATOM 174 C ALA A 19 -3.082 11.553 0.505 1.00 0.00 C ATOM 175 O ALA A 19 -4.055 11.648 1.251 1.00 0.00 O ATOM 176 CB ALA A 19 -3.811 12.772 -1.569 1.00 0.00 C ATOM 0 H ALA A 19 -4.947 10.357 -0.606 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.290 11.327 -1.465 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.119 13.590 -1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.934 12.656 -2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.777 12.995 -1.115 1.00 0.00 H new ATOM 182 N LYS A 20 -1.828 11.473 0.984 1.00 0.00 N ATOM 183 CA LYS A 20 -1.443 11.476 2.361 1.00 0.00 C ATOM 184 C LYS A 20 -1.692 12.759 3.077 1.00 0.00 C ATOM 185 O LYS A 20 -1.880 13.822 2.487 1.00 0.00 O ATOM 186 CB LYS A 20 0.036 11.074 2.489 1.00 0.00 C ATOM 187 CG LYS A 20 0.872 11.525 1.290 1.00 0.00 C ATOM 188 CD LYS A 20 2.387 11.381 1.450 1.00 0.00 C ATOM 189 CE LYS A 20 2.870 9.945 1.658 1.00 0.00 C ATOM 190 NZ LYS A 20 4.349 9.903 1.635 1.00 0.00 N ATOM 0 H LYS A 20 -1.024 11.401 0.361 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.086 10.744 2.850 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.449 11.508 3.400 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.107 9.991 2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.561 10.952 0.416 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.644 12.571 1.083 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.873 11.790 0.564 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.709 11.985 2.298 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.501 9.562 2.610 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.467 9.300 0.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.674 8.964 1.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.687 10.087 0.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.727 10.628 2.277 1.00 0.00 H new ATOM 204 N THR A 21 -1.735 12.696 4.419 1.00 0.00 N ATOM 205 CA THR A 21 -1.920 13.814 5.290 1.00 0.00 C ATOM 206 C THR A 21 -0.693 13.990 6.118 1.00 0.00 C ATOM 207 O THR A 21 -0.376 13.191 6.997 1.00 0.00 O ATOM 208 CB THR A 21 -3.193 13.759 6.081 1.00 0.00 C ATOM 209 OG1 THR A 21 -3.340 14.886 6.933 1.00 0.00 O ATOM 210 CG2 THR A 21 -3.352 12.498 6.948 1.00 0.00 C ATOM 0 H THR A 21 -1.635 11.815 4.924 1.00 0.00 H new ATOM 0 HA THR A 21 -2.053 14.710 4.684 1.00 0.00 H new ATOM 0 HB THR A 21 -3.967 13.746 5.314 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.182 14.813 7.429 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.300 12.543 7.485 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.337 11.614 6.311 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.532 12.443 7.664 1.00 0.00 H new ATOM 218 N ASP A 22 0.094 15.035 5.807 1.00 0.00 N ATOM 219 CA ASP A 22 1.362 15.372 6.374 1.00 0.00 C ATOM 220 C ASP A 22 2.329 14.241 6.441 1.00 0.00 C ATOM 221 O ASP A 22 2.866 13.886 7.488 1.00 0.00 O ATOM 222 CB ASP A 22 1.179 16.152 7.687 1.00 0.00 C ATOM 223 CG ASP A 22 2.465 16.786 8.199 1.00 0.00 C ATOM 224 OD1 ASP A 22 3.260 17.282 7.356 1.00 0.00 O ATOM 225 OD2 ASP A 22 2.686 16.823 9.438 1.00 0.00 O ATOM 0 H ASP A 22 -0.186 15.705 5.091 1.00 0.00 H new ATOM 0 HA ASP A 22 1.857 16.049 5.678 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.433 16.932 7.536 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.786 15.479 8.449 1.00 0.00 H new ATOM 230 N GLY A 23 2.599 13.592 5.293 1.00 0.00 N ATOM 231 CA GLY A 23 3.503 12.488 5.206 1.00 0.00 C ATOM 232 C GLY A 23 3.061 11.255 5.917 1.00 0.00 C ATOM 233 O GLY A 23 3.820 10.670 6.687 1.00 0.00 O ATOM 0 H GLY A 23 2.176 13.843 4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.658 12.247 4.154 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.468 12.795 5.609 1.00 0.00 H new ATOM 237 N SER A 24 1.805 10.822 5.706 1.00 0.00 N ATOM 238 CA SER A 24 1.181 9.757 6.429 1.00 0.00 C ATOM 239 C SER A 24 -0.112 9.497 5.735 1.00 0.00 C ATOM 240 O SER A 24 -1.029 10.316 5.724 1.00 0.00 O ATOM 241 CB SER A 24 0.923 10.030 7.920 1.00 0.00 C ATOM 242 OG SER A 24 2.130 9.968 8.664 1.00 0.00 O ATOM 0 H SER A 24 1.196 11.234 4.998 1.00 0.00 H new ATOM 0 HA SER A 24 1.863 8.906 6.431 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.468 11.013 8.040 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.213 9.300 8.310 1.00 0.00 H new ATOM 0 HG SER A 24 2.894 10.010 8.052 1.00 0.00 H new ATOM 248 N LEU A 25 -0.198 8.325 5.079 1.00 0.00 N ATOM 249 CA LEU A 25 -1.372 7.750 4.500 1.00 0.00 C ATOM 250 C LEU A 25 -2.242 7.262 5.606 1.00 0.00 C ATOM 251 O LEU A 25 -3.469 7.338 5.565 1.00 0.00 O ATOM 252 CB LEU A 25 -0.952 6.505 3.698 1.00 0.00 C ATOM 253 CG LEU A 25 0.209 6.694 2.707 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.915 5.338 2.534 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.232 7.321 1.373 1.00 0.00 C ATOM 0 H LEU A 25 0.622 7.733 4.944 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.881 8.483 3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.676 5.721 4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.820 6.146 3.145 1.00 0.00 H new ATOM 0 HG LEU A 25 0.916 7.418 3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.744 5.446 1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.295 5.000 3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.207 4.606 2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.633 7.428 0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.972 6.678 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.670 8.302 1.559 1.00 0.00 H new ATOM 267 N GLY A 26 -1.591 6.735 6.659 1.00 0.00 N ATOM 268 CA GLY A 26 -2.218 6.409 7.902 1.00 0.00 C ATOM 269 C GLY A 26 -2.294 4.935 8.103 1.00 0.00 C ATOM 270 O GLY A 26 -3.279 4.417 8.627 1.00 0.00 O ATOM 0 H GLY A 26 -0.592 6.529 6.644 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.660 6.861 8.722 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.222 6.833 7.927 1.00 0.00 H new ATOM 274 N ILE A 27 -1.233 4.221 7.686 1.00 0.00 N ATOM 275 CA ILE A 27 -1.159 2.808 7.887 1.00 0.00 C ATOM 276 C ILE A 27 0.112 2.452 8.578 1.00 0.00 C ATOM 277 O ILE A 27 1.199 2.895 8.207 1.00 0.00 O ATOM 278 CB ILE A 27 -1.327 2.069 6.593 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.475 2.706 5.483 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.832 2.107 6.278 1.00 0.00 C ATOM 281 CD1 ILE A 27 -0.354 1.816 4.248 1.00 0.00 C ATOM 0 H ILE A 27 -0.426 4.623 7.209 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.982 2.501 8.532 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.981 1.038 6.664 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.915 3.661 5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.521 2.918 5.872 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.021 1.582 5.342 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.385 1.623 7.083 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.158 3.143 6.186 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.258 2.316 3.498 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.112 0.871 4.525 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.346 1.625 3.839 1.00 0.00 H new ATOM 293 N SER A 28 -0.011 1.648 9.650 1.00 0.00 N ATOM 294 CA SER A 28 1.106 1.061 10.322 1.00 0.00 C ATOM 295 C SER A 28 1.567 -0.216 9.710 1.00 0.00 C ATOM 296 O SER A 28 0.867 -1.227 9.737 1.00 0.00 O ATOM 297 CB SER A 28 0.921 0.770 11.821 1.00 0.00 C ATOM 298 OG SER A 28 0.762 1.998 12.516 1.00 0.00 O ATOM 0 H SER A 28 -0.911 1.400 10.060 1.00 0.00 H new ATOM 0 HA SER A 28 1.844 1.854 10.205 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.049 0.134 11.976 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.784 0.228 12.208 1.00 0.00 H new ATOM 0 HG SER A 28 0.642 1.820 13.472 1.00 0.00 H new ATOM 304 N VAL A 29 2.790 -0.215 9.151 1.00 0.00 N ATOM 305 CA VAL A 29 3.289 -1.300 8.365 1.00 0.00 C ATOM 306 C VAL A 29 4.028 -2.371 9.092 1.00 0.00 C ATOM 307 O VAL A 29 4.954 -2.125 9.863 1.00 0.00 O ATOM 308 CB VAL A 29 4.055 -0.767 7.191 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.161 0.248 6.459 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.380 -0.118 7.627 1.00 0.00 C ATOM 0 H VAL A 29 3.448 0.558 9.248 1.00 0.00 H new ATOM 0 HA VAL A 29 2.403 -1.833 8.022 1.00 0.00 H new ATOM 0 HB VAL A 29 4.316 -1.588 6.524 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.696 0.651 5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.251 -0.247 6.120 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.901 1.060 7.138 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.908 0.257 6.750 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.174 0.709 8.307 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.999 -0.859 8.134 1.00 0.00 H new ATOM 320 N THR A 30 3.642 -3.639 8.866 1.00 0.00 N ATOM 321 CA THR A 30 4.221 -4.837 9.389 1.00 0.00 C ATOM 322 C THR A 30 4.680 -5.733 8.290 1.00 0.00 C ATOM 323 O THR A 30 4.312 -5.573 7.127 1.00 0.00 O ATOM 324 CB THR A 30 3.306 -5.596 10.304 1.00 0.00 C ATOM 325 OG1 THR A 30 3.880 -6.730 10.936 1.00 0.00 O ATOM 326 CG2 THR A 30 2.018 -6.064 9.606 1.00 0.00 C ATOM 0 H THR A 30 2.848 -3.842 8.259 1.00 0.00 H new ATOM 0 HA THR A 30 5.074 -4.512 9.984 1.00 0.00 H new ATOM 0 HB THR A 30 3.086 -4.854 11.072 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.212 -7.157 11.511 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.396 -6.607 10.317 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.471 -5.198 9.233 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.273 -6.719 8.773 1.00 0.00 H new ATOM 334 N GLY A 31 5.523 -6.724 8.628 1.00 0.00 N ATOM 335 CA GLY A 31 6.134 -7.639 7.715 1.00 0.00 C ATOM 336 C GLY A 31 7.448 -7.138 7.224 1.00 0.00 C ATOM 337 O GLY A 31 8.182 -6.461 7.942 1.00 0.00 O ATOM 0 H GLY A 31 5.794 -6.896 9.596 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.273 -8.603 8.205 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.469 -7.805 6.868 1.00 0.00 H new ATOM 341 N GLY A 32 7.785 -7.443 5.959 1.00 0.00 N ATOM 342 CA GLY A 32 8.980 -7.014 5.301 1.00 0.00 C ATOM 343 C GLY A 32 9.989 -8.108 5.210 1.00 0.00 C ATOM 344 O GLY A 32 10.034 -9.009 6.045 1.00 0.00 O ATOM 0 H GLY A 32 7.192 -8.020 5.363 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.736 -6.661 4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.408 -6.169 5.841 1.00 0.00 H new ATOM 348 N VAL A 33 10.878 -8.044 4.204 1.00 0.00 N ATOM 349 CA VAL A 33 11.839 -9.050 3.872 1.00 0.00 C ATOM 350 C VAL A 33 12.915 -9.261 4.881 1.00 0.00 C ATOM 351 O VAL A 33 13.757 -10.151 4.779 1.00 0.00 O ATOM 352 CB VAL A 33 12.417 -8.797 2.511 1.00 0.00 C ATOM 353 CG1 VAL A 33 13.586 -7.799 2.531 1.00 0.00 C ATOM 354 CG2 VAL A 33 12.834 -10.117 1.841 1.00 0.00 C ATOM 0 H VAL A 33 10.929 -7.237 3.582 1.00 0.00 H new ATOM 0 HA VAL A 33 11.281 -9.986 3.869 1.00 0.00 H new ATOM 0 HB VAL A 33 11.627 -8.335 1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.961 -7.658 1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.242 -6.844 2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.385 -8.187 3.163 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.250 -9.909 0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 33 13.585 -10.615 2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.963 -10.764 1.738 1.00 0.00 H new ATOM 467 N GLY A 41 7.304 -7.828 0.634 1.00 0.00 N ATOM 468 CA GLY A 41 6.026 -7.191 0.573 1.00 0.00 C ATOM 469 C GLY A 41 5.878 -6.520 1.895 1.00 0.00 C ATOM 470 O GLY A 41 6.665 -6.798 2.799 1.00 0.00 O ATOM 0 HA2 GLY A 41 5.980 -6.471 -0.244 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.229 -7.916 0.405 1.00 0.00 H new ATOM 474 N ILE A 42 4.878 -5.636 2.065 1.00 0.00 N ATOM 475 CA ILE A 42 4.596 -5.102 3.362 1.00 0.00 C ATOM 476 C ILE A 42 3.133 -5.300 3.564 1.00 0.00 C ATOM 477 O ILE A 42 2.396 -5.630 2.635 1.00 0.00 O ATOM 478 CB ILE A 42 5.160 -3.734 3.605 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.505 -3.468 5.081 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.275 -2.563 3.146 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.760 -4.206 5.547 1.00 0.00 C ATOM 0 H ILE A 42 4.273 -5.295 1.318 1.00 0.00 H new ATOM 0 HA ILE A 42 5.127 -5.630 4.154 1.00 0.00 H new ATOM 0 HB ILE A 42 6.059 -3.761 2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.645 -2.397 5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.662 -3.767 5.704 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.775 -1.620 3.368 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.101 -2.638 2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.321 -2.600 3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.949 -3.977 6.596 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.615 -5.280 5.431 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.613 -3.888 4.947 1.00 0.00 H new ATOM 493 N TYR A 43 2.644 -5.215 4.813 1.00 0.00 N ATOM 494 CA TYR A 43 1.288 -5.553 5.118 1.00 0.00 C ATOM 495 C TYR A 43 0.815 -4.518 6.081 1.00 0.00 C ATOM 496 O TYR A 43 1.605 -3.820 6.714 1.00 0.00 O ATOM 497 CB TYR A 43 1.217 -6.894 5.866 1.00 0.00 C ATOM 498 CG TYR A 43 1.661 -8.058 5.048 1.00 0.00 C ATOM 499 CD1 TYR A 43 2.989 -8.326 4.810 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.703 -8.918 4.567 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.357 -9.407 4.045 1.00 0.00 C ATOM 502 CE2 TYR A 43 1.066 -10.028 3.842 1.00 0.00 C ATOM 503 CZ TYR A 43 2.393 -10.266 3.572 1.00 0.00 C ATOM 504 OH TYR A 43 2.751 -11.415 2.836 1.00 0.00 O ATOM 0 H TYR A 43 3.192 -4.910 5.618 1.00 0.00 H new ATOM 0 HA TYR A 43 0.704 -5.611 4.199 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.835 -6.834 6.762 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.192 -7.062 6.196 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.749 -7.682 5.228 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.341 -8.721 4.760 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.398 -9.581 3.817 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.310 -10.712 3.485 1.00 0.00 H new ATOM 0 HH TYR A 43 1.942 -11.907 2.583 1.00 0.00 H new ATOM 514 N VAL A 44 -0.512 -4.355 6.238 1.00 0.00 N ATOM 515 CA VAL A 44 -1.074 -3.529 7.262 1.00 0.00 C ATOM 516 C VAL A 44 -1.102 -4.259 8.561 1.00 0.00 C ATOM 517 O VAL A 44 -1.594 -5.381 8.659 1.00 0.00 O ATOM 518 CB VAL A 44 -2.494 -3.220 6.889 1.00 0.00 C ATOM 519 CG1 VAL A 44 -3.187 -2.377 7.972 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.549 -2.502 5.530 1.00 0.00 C ATOM 0 H VAL A 44 -1.207 -4.805 5.643 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.473 -2.625 7.359 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.031 -4.165 6.808 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.214 -2.171 7.671 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.188 -2.925 8.914 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.651 -1.437 8.100 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.586 -2.285 5.275 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.987 -1.570 5.588 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.112 -3.141 4.763 1.00 0.00 H new ATOM 530 N LYS A 45 -0.607 -3.641 9.649 1.00 0.00 N ATOM 531 CA LYS A 45 -0.854 -4.136 10.968 1.00 0.00 C ATOM 532 C LYS A 45 -2.121 -3.563 11.504 1.00 0.00 C ATOM 533 O LYS A 45 -3.036 -4.277 11.911 1.00 0.00 O ATOM 534 CB LYS A 45 0.279 -3.785 11.946 1.00 0.00 C ATOM 535 CG LYS A 45 0.188 -4.488 13.301 1.00 0.00 C ATOM 536 CD LYS A 45 0.411 -6.000 13.222 1.00 0.00 C ATOM 537 CE LYS A 45 0.514 -6.688 14.584 1.00 0.00 C ATOM 538 NZ LYS A 45 -0.810 -6.795 15.235 1.00 0.00 N ATOM 0 H LYS A 45 -0.035 -2.797 9.615 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.921 -5.221 10.885 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.233 -4.038 11.483 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.280 -2.707 12.109 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.926 -4.055 13.976 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.793 -4.296 13.736 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.409 -6.449 12.661 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.325 -6.193 12.660 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.942 -7.683 14.460 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.193 -6.127 15.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.707 -7.266 16.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.206 -5.844 15.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.449 -7.351 14.632 1.00 0.00 H new ATOM 552 N ALA A 46 -2.212 -2.221 11.529 1.00 0.00 N ATOM 553 CA ALA A 46 -3.319 -1.529 12.112 1.00 0.00 C ATOM 554 C ALA A 46 -3.606 -0.270 11.369 1.00 0.00 C ATOM 555 O ALA A 46 -2.710 0.468 10.963 1.00 0.00 O ATOM 556 CB ALA A 46 -3.029 -1.227 13.593 1.00 0.00 C ATOM 0 H ALA A 46 -1.501 -1.604 11.136 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.200 -2.167 12.048 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.877 -0.700 14.030 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.867 -2.162 14.130 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.137 -0.605 13.670 1.00 0.00 H new ATOM 562 N ILE A 47 -4.911 0.009 11.188 1.00 0.00 N ATOM 563 CA ILE A 47 -5.433 1.216 10.627 1.00 0.00 C ATOM 564 C ILE A 47 -5.677 2.153 11.758 1.00 0.00 C ATOM 565 O ILE A 47 -6.148 1.761 12.824 1.00 0.00 O ATOM 566 CB ILE A 47 -6.699 0.990 9.856 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.571 -0.150 8.831 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.157 2.278 9.151 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.456 0.058 7.807 1.00 0.00 C ATOM 0 H ILE A 47 -5.645 -0.650 11.450 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.715 1.624 9.915 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.452 0.694 10.586 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.392 -1.085 9.363 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.519 -0.259 8.304 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.077 2.084 8.600 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.336 3.055 9.894 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.383 2.609 8.459 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.430 -0.788 7.120 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.642 0.974 7.247 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.499 0.136 8.322 1.00 0.00 H new ATOM 581 N ILE A 48 -5.325 3.439 11.577 1.00 0.00 N ATOM 582 CA ILE A 48 -5.479 4.446 12.581 1.00 0.00 C ATOM 583 C ILE A 48 -6.838 5.056 12.573 1.00 0.00 C ATOM 584 O ILE A 48 -7.573 4.869 11.605 1.00 0.00 O ATOM 585 CB ILE A 48 -4.456 5.534 12.435 1.00 0.00 C ATOM 586 CG1 ILE A 48 -4.562 6.277 11.093 1.00 0.00 C ATOM 587 CG2 ILE A 48 -3.073 4.924 12.717 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.407 7.251 10.857 1.00 0.00 C ATOM 0 H ILE A 48 -4.922 3.788 10.708 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.334 3.936 13.533 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.640 6.322 13.166 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.588 5.549 10.282 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.504 6.824 11.060 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.308 5.694 12.618 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.053 4.521 13.730 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.876 4.123 12.004 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.538 7.744 9.894 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.394 7.999 11.649 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.464 6.704 10.859 1.00 0.00 H new ATOM 643 N ALA A 52 -5.793 8.768 5.809 1.00 0.00 N ATOM 644 CA ALA A 52 -6.225 8.851 4.448 1.00 0.00 C ATOM 645 C ALA A 52 -6.593 7.523 3.882 1.00 0.00 C ATOM 646 O ALA A 52 -7.571 7.394 3.147 1.00 0.00 O ATOM 647 CB ALA A 52 -5.100 9.474 3.603 1.00 0.00 C ATOM 0 HA ALA A 52 -7.121 9.472 4.422 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.420 9.541 2.563 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.873 10.472 3.978 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.208 8.851 3.668 1.00 0.00 H new ATOM 653 N ALA A 53 -5.821 6.466 4.193 1.00 0.00 N ATOM 654 CA ALA A 53 -5.948 5.156 3.634 1.00 0.00 C ATOM 655 C ALA A 53 -7.188 4.423 4.015 1.00 0.00 C ATOM 656 O ALA A 53 -7.825 3.794 3.173 1.00 0.00 O ATOM 657 CB ALA A 53 -4.706 4.332 4.013 1.00 0.00 C ATOM 0 H ALA A 53 -5.065 6.530 4.874 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.026 5.291 2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.792 3.330 3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.813 4.817 3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.632 4.264 5.098 1.00 0.00 H new ATOM 663 N GLU A 54 -7.629 4.537 5.282 1.00 0.00 N ATOM 664 CA GLU A 54 -8.912 4.123 5.760 1.00 0.00 C ATOM 665 C GLU A 54 -10.053 4.578 4.917 1.00 0.00 C ATOM 666 O GLU A 54 -11.025 3.858 4.695 1.00 0.00 O ATOM 667 CB GLU A 54 -9.114 4.729 7.160 1.00 0.00 C ATOM 668 CG GLU A 54 -10.436 4.437 7.872 1.00 0.00 C ATOM 669 CD GLU A 54 -10.584 5.255 9.146 1.00 0.00 C ATOM 670 OE1 GLU A 54 -9.872 6.286 9.286 1.00 0.00 O ATOM 671 OE2 GLU A 54 -11.454 4.908 9.989 1.00 0.00 O ATOM 0 H GLU A 54 -7.052 4.944 6.018 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.912 3.033 5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.303 4.378 7.799 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.009 5.811 7.077 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.266 4.656 7.201 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.492 3.375 8.113 1.00 0.00 H new ATOM 678 N SER A 55 -9.942 5.803 4.374 1.00 0.00 N ATOM 679 CA SER A 55 -10.919 6.397 3.515 1.00 0.00 C ATOM 680 C SER A 55 -10.980 5.830 2.138 1.00 0.00 C ATOM 681 O SER A 55 -11.766 6.300 1.317 1.00 0.00 O ATOM 682 CB SER A 55 -10.737 7.920 3.404 1.00 0.00 C ATOM 683 OG SER A 55 -11.899 8.580 2.921 1.00 0.00 O ATOM 0 H SER A 55 -9.136 6.406 4.541 1.00 0.00 H new ATOM 0 HA SER A 55 -11.862 6.156 4.005 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.477 8.322 4.383 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.900 8.134 2.739 1.00 0.00 H new ATOM 0 HG SER A 55 -12.284 8.065 2.182 1.00 0.00 H new ATOM 689 N ASP A 56 -10.218 4.777 1.796 1.00 0.00 N ATOM 690 CA ASP A 56 -10.548 3.885 0.728 1.00 0.00 C ATOM 691 C ASP A 56 -11.783 3.141 1.106 1.00 0.00 C ATOM 692 O ASP A 56 -12.903 3.557 0.815 1.00 0.00 O ATOM 693 CB ASP A 56 -9.349 2.956 0.474 1.00 0.00 C ATOM 694 CG ASP A 56 -9.669 1.837 -0.506 1.00 0.00 C ATOM 695 OD1 ASP A 56 -9.931 2.118 -1.706 1.00 0.00 O ATOM 696 OD2 ASP A 56 -9.776 0.674 -0.031 1.00 0.00 O ATOM 0 H ASP A 56 -9.349 4.539 2.274 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.750 4.418 -0.201 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.515 3.543 0.089 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.024 2.523 1.420 1.00 0.00 H new ATOM 701 N GLY A 57 -11.620 2.017 1.826 1.00 0.00 N ATOM 702 CA GLY A 57 -12.693 1.380 2.524 1.00 0.00 C ATOM 703 C GLY A 57 -12.580 -0.105 2.513 1.00 0.00 C ATOM 704 O GLY A 57 -13.117 -0.797 3.376 1.00 0.00 O ATOM 0 H GLY A 57 -10.724 1.541 1.925 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.711 1.732 3.555 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.641 1.672 2.071 1.00 0.00 H new ATOM 708 N ARG A 58 -11.861 -0.650 1.514 1.00 0.00 N ATOM 709 CA ARG A 58 -11.672 -2.053 1.316 1.00 0.00 C ATOM 710 C ARG A 58 -10.660 -2.622 2.251 1.00 0.00 C ATOM 711 O ARG A 58 -10.747 -3.780 2.656 1.00 0.00 O ATOM 712 CB ARG A 58 -11.168 -2.242 -0.126 1.00 0.00 C ATOM 713 CG ARG A 58 -12.109 -1.694 -1.201 1.00 0.00 C ATOM 714 CD ARG A 58 -11.327 -1.160 -2.403 1.00 0.00 C ATOM 715 NE ARG A 58 -12.325 -0.679 -3.398 1.00 0.00 N ATOM 716 CZ ARG A 58 -12.840 0.584 -3.432 1.00 0.00 C ATOM 717 NH1 ARG A 58 -12.388 1.581 -2.617 1.00 0.00 N ATOM 718 NH2 ARG A 58 -13.835 0.876 -4.320 1.00 0.00 N ATOM 0 H ARG A 58 -11.389 -0.083 0.810 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.615 -2.568 1.501 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.198 -1.754 -0.226 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.010 -3.305 -0.306 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.790 -2.481 -1.527 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.722 -0.897 -0.780 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.663 -0.350 -2.101 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.701 -1.942 -2.833 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.646 -1.341 -4.104 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.638 1.395 -1.951 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.800 2.512 -2.674 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.186 0.153 -4.949 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.228 1.817 -4.355 1.00 0.00 H new ATOM 732 N ILE A 59 -9.656 -1.810 2.624 1.00 0.00 N ATOM 733 CA ILE A 59 -8.577 -2.147 3.500 1.00 0.00 C ATOM 734 C ILE A 59 -8.994 -2.383 4.911 1.00 0.00 C ATOM 735 O ILE A 59 -9.868 -1.706 5.451 1.00 0.00 O ATOM 736 CB ILE A 59 -7.495 -1.108 3.531 1.00 0.00 C ATOM 737 CG1 ILE A 59 -7.585 -0.084 2.387 1.00 0.00 C ATOM 738 CG2 ILE A 59 -6.149 -1.851 3.561 1.00 0.00 C ATOM 739 CD1 ILE A 59 -6.484 0.975 2.427 1.00 0.00 C ATOM 0 H ILE A 59 -9.594 -0.849 2.289 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.199 -3.075 3.072 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.610 -0.496 4.426 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.537 -0.611 1.434 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.555 0.411 2.429 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.334 -1.127 3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.101 -2.480 4.450 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.057 -2.473 2.671 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.610 1.663 1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.545 1.528 3.364 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.510 0.490 2.354 1.00 0.00 H new ATOM 751 N HIS A 60 -8.347 -3.348 5.590 1.00 0.00 N ATOM 752 CA HIS A 60 -8.502 -3.546 6.998 1.00 0.00 C ATOM 753 C HIS A 60 -7.192 -3.928 7.597 1.00 0.00 C ATOM 754 O HIS A 60 -6.134 -3.798 6.982 1.00 0.00 O ATOM 755 CB HIS A 60 -9.569 -4.623 7.251 1.00 0.00 C ATOM 756 CG HIS A 60 -10.127 -4.650 8.644 1.00 0.00 C ATOM 757 ND1 HIS A 60 -10.733 -3.521 9.154 1.00 0.00 N ATOM 758 CD2 HIS A 60 -10.153 -5.661 9.553 1.00 0.00 C ATOM 759 CE1 HIS A 60 -11.143 -3.866 10.361 1.00 0.00 C ATOM 760 NE2 HIS A 60 -10.807 -5.150 10.657 1.00 0.00 N ATOM 0 H HIS A 60 -7.702 -4.005 5.151 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.833 -2.621 7.470 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.390 -4.471 6.550 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.137 -5.599 7.030 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.747 -6.655 9.436 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.679 -3.209 11.030 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -11.001 -5.642 11.529 1.00 0.00 H new ATOM 768 N LYS A 61 -7.182 -4.412 8.852 1.00 0.00 N ATOM 769 CA LYS A 61 -6.002 -4.719 9.600 1.00 0.00 C ATOM 770 C LYS A 61 -5.403 -6.035 9.240 1.00 0.00 C ATOM 771 O LYS A 61 -5.170 -6.891 10.091 1.00 0.00 O ATOM 772 CB LYS A 61 -6.330 -4.709 11.102 1.00 0.00 C ATOM 773 CG LYS A 61 -6.992 -3.421 11.597 1.00 0.00 C ATOM 774 CD LYS A 61 -7.124 -3.364 13.119 1.00 0.00 C ATOM 775 CE LYS A 61 -7.665 -2.055 13.696 1.00 0.00 C ATOM 776 NZ LYS A 61 -9.070 -1.800 13.309 1.00 0.00 N ATOM 0 H LYS A 61 -8.040 -4.599 9.371 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.266 -3.953 9.354 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.988 -5.549 11.323 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.409 -4.869 11.663 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.409 -2.565 11.256 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.981 -3.332 11.148 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.777 -4.176 13.438 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.144 -3.553 13.556 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.591 -2.083 14.783 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.042 -1.228 13.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.387 -0.902 13.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.140 -1.745 12.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.672 -2.574 13.656 1.00 0.00 H new ATOM 790 N GLY A 62 -5.114 -6.279 7.949 1.00 0.00 N ATOM 791 CA GLY A 62 -4.750 -7.587 7.497 1.00 0.00 C ATOM 792 C GLY A 62 -4.092 -7.631 6.161 1.00 0.00 C ATOM 793 O GLY A 62 -3.238 -8.484 5.925 1.00 0.00 O ATOM 0 H GLY A 62 -5.132 -5.569 7.217 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.080 -8.035 8.230 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.646 -8.206 7.464 1.00 0.00 H new ATOM 797 N ASP A 63 -4.507 -6.743 5.239 1.00 0.00 N ATOM 798 CA ASP A 63 -4.197 -6.790 3.843 1.00 0.00 C ATOM 799 C ASP A 63 -2.768 -6.607 3.465 1.00 0.00 C ATOM 800 O ASP A 63 -1.956 -6.037 4.191 1.00 0.00 O ATOM 801 CB ASP A 63 -5.073 -5.768 3.099 1.00 0.00 C ATOM 802 CG ASP A 63 -6.535 -6.069 3.396 1.00 0.00 C ATOM 803 OD1 ASP A 63 -7.140 -6.952 2.733 1.00 0.00 O ATOM 804 OD2 ASP A 63 -7.080 -5.468 4.361 1.00 0.00 O ATOM 0 H ASP A 63 -5.094 -5.945 5.483 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.414 -7.816 3.545 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.824 -4.755 3.416 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.887 -5.821 2.026 1.00 0.00 H new ATOM 809 N ARG A 64 -2.423 -7.132 2.275 1.00 0.00 N ATOM 810 CA ARG A 64 -1.087 -7.247 1.779 1.00 0.00 C ATOM 811 C ARG A 64 -0.849 -6.242 0.704 1.00 0.00 C ATOM 812 O ARG A 64 -1.476 -6.298 -0.353 1.00 0.00 O ATOM 813 CB ARG A 64 -0.907 -8.675 1.236 1.00 0.00 C ATOM 814 CG ARG A 64 0.451 -9.041 0.634 1.00 0.00 C ATOM 815 CD ARG A 64 0.593 -8.738 -0.859 1.00 0.00 C ATOM 816 NE ARG A 64 1.733 -9.526 -1.407 1.00 0.00 N ATOM 817 CZ ARG A 64 1.635 -10.838 -1.766 1.00 0.00 C ATOM 818 NH1 ARG A 64 0.515 -11.589 -1.550 1.00 0.00 N ATOM 819 NH2 ARG A 64 2.695 -11.415 -2.405 1.00 0.00 N ATOM 0 H ARG A 64 -3.117 -7.497 1.623 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.367 -7.057 2.575 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.112 -9.371 2.049 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.668 -8.842 0.474 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.230 -8.503 1.175 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.629 -10.105 0.793 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.328 -8.992 -1.384 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.763 -7.672 -1.013 1.00 0.00 H new ATOM 0 HE ARG A 64 2.633 -9.060 -1.519 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.300 -11.172 -1.101 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.494 -12.567 -1.838 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.532 -10.866 -2.602 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.650 -12.395 -2.685 1.00 0.00 H new ATOM 833 N VAL A 65 0.087 -5.297 0.897 1.00 0.00 N ATOM 834 CA VAL A 65 0.471 -4.375 -0.127 1.00 0.00 C ATOM 835 C VAL A 65 1.650 -4.911 -0.862 1.00 0.00 C ATOM 836 O VAL A 65 2.676 -5.294 -0.303 1.00 0.00 O ATOM 837 CB VAL A 65 0.636 -2.963 0.353 1.00 0.00 C ATOM 838 CG1 VAL A 65 1.536 -2.953 1.601 1.00 0.00 C ATOM 839 CG2 VAL A 65 1.171 -2.024 -0.740 1.00 0.00 C ATOM 0 H VAL A 65 0.586 -5.170 1.778 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.355 -4.292 -0.834 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.348 -2.576 0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.659 -1.929 1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.077 -3.554 2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.511 -3.369 1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.271 -1.016 -0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.145 -2.377 -1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.477 -2.012 -1.581 1.00 0.00 H new ATOM 849 N LEU A 66 1.510 -5.010 -2.197 1.00 0.00 N ATOM 850 CA LEU A 66 2.516 -5.488 -3.093 1.00 0.00 C ATOM 851 C LEU A 66 3.237 -4.376 -3.776 1.00 0.00 C ATOM 852 O LEU A 66 4.445 -4.475 -3.978 1.00 0.00 O ATOM 853 CB LEU A 66 1.967 -6.520 -4.093 1.00 0.00 C ATOM 854 CG LEU A 66 0.642 -6.207 -4.808 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.625 -6.859 -6.201 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.564 -6.724 -4.004 1.00 0.00 C ATOM 0 H LEU A 66 0.650 -4.742 -2.675 1.00 0.00 H new ATOM 0 HA LEU A 66 3.251 -6.009 -2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.728 -6.680 -4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.844 -7.464 -3.563 1.00 0.00 H new ATOM 0 HG LEU A 66 0.567 -5.123 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.318 -6.631 -6.698 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.452 -6.470 -6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.729 -7.939 -6.098 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.485 -6.487 -4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.484 -7.804 -3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.579 -6.248 -3.024 1.00 0.00 H new ATOM 868 N ALA A 67 2.565 -3.272 -4.150 1.00 0.00 N ATOM 869 CA ALA A 67 3.243 -2.231 -4.859 1.00 0.00 C ATOM 870 C ALA A 67 2.777 -0.854 -4.534 1.00 0.00 C ATOM 871 O ALA A 67 1.669 -0.647 -4.041 1.00 0.00 O ATOM 872 CB ALA A 67 3.157 -2.465 -6.377 1.00 0.00 C ATOM 0 H ALA A 67 1.576 -3.101 -3.967 1.00 0.00 H new ATOM 0 HA ALA A 67 4.279 -2.286 -4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.679 -1.663 -6.899 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.620 -3.420 -6.625 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.111 -2.478 -6.684 1.00 0.00 H new ATOM 878 N VAL A 68 3.639 0.151 -4.773 1.00 0.00 N ATOM 879 CA VAL A 68 3.369 1.528 -4.499 1.00 0.00 C ATOM 880 C VAL A 68 3.706 2.394 -5.664 1.00 0.00 C ATOM 881 O VAL A 68 4.870 2.470 -6.053 1.00 0.00 O ATOM 882 CB VAL A 68 4.124 2.027 -3.303 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.744 3.483 -2.987 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.815 1.124 -2.097 1.00 0.00 C ATOM 0 H VAL A 68 4.564 -0.003 -5.175 1.00 0.00 H new ATOM 0 HA VAL A 68 2.300 1.585 -4.294 1.00 0.00 H new ATOM 0 HB VAL A 68 5.192 1.997 -3.519 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.303 3.824 -2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.983 4.115 -3.842 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.676 3.543 -2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.361 1.482 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.745 1.147 -1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.119 0.101 -2.321 1.00 0.00 H new ATOM 894 N ASN A 69 2.736 3.079 -6.296 1.00 0.00 N ATOM 895 CA ASN A 69 2.879 3.752 -7.551 1.00 0.00 C ATOM 896 C ASN A 69 3.355 2.902 -8.679 1.00 0.00 C ATOM 897 O ASN A 69 3.905 3.398 -9.660 1.00 0.00 O ATOM 898 CB ASN A 69 3.740 5.024 -7.476 1.00 0.00 C ATOM 899 CG ASN A 69 3.207 5.983 -6.421 1.00 0.00 C ATOM 900 OD1 ASN A 69 2.011 6.061 -6.148 1.00 0.00 O ATOM 901 ND2 ASN A 69 4.138 6.762 -5.806 1.00 0.00 N ATOM 0 H ASN A 69 1.797 3.168 -5.908 1.00 0.00 H new ATOM 0 HA ASN A 69 1.850 4.034 -7.774 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.770 4.756 -7.242 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.752 5.517 -8.448 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.851 7.435 -5.096 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.123 6.673 -6.055 1.00 0.00 H new ATOM 908 N GLY A 70 3.160 1.573 -8.597 1.00 0.00 N ATOM 909 CA GLY A 70 3.710 0.621 -9.510 1.00 0.00 C ATOM 910 C GLY A 70 5.081 0.162 -9.149 1.00 0.00 C ATOM 911 O GLY A 70 5.768 -0.477 -9.944 1.00 0.00 O ATOM 0 H GLY A 70 2.595 1.145 -7.863 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.049 -0.244 -9.560 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.735 1.061 -10.507 1.00 0.00 H new ATOM 915 N VAL A 71 5.535 0.464 -7.919 1.00 0.00 N ATOM 916 CA VAL A 71 6.820 0.086 -7.418 1.00 0.00 C ATOM 917 C VAL A 71 6.607 -1.045 -6.473 1.00 0.00 C ATOM 918 O VAL A 71 6.209 -0.874 -5.322 1.00 0.00 O ATOM 919 CB VAL A 71 7.626 1.162 -6.753 1.00 0.00 C ATOM 920 CG1 VAL A 71 9.043 0.641 -6.454 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.726 2.366 -7.705 1.00 0.00 C ATOM 0 H VAL A 71 4.983 0.994 -7.245 1.00 0.00 H new ATOM 0 HA VAL A 71 7.422 -0.179 -8.287 1.00 0.00 H new ATOM 0 HB VAL A 71 7.144 1.456 -5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.625 1.426 -5.971 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.981 -0.224 -5.793 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.528 0.351 -7.386 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.310 3.156 -7.233 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.213 2.059 -8.630 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.726 2.738 -7.927 1.00 0.00 H new ATOM 931 N SER A 72 6.838 -2.275 -6.968 1.00 0.00 N ATOM 932 CA SER A 72 6.785 -3.497 -6.230 1.00 0.00 C ATOM 933 C SER A 72 7.780 -3.568 -5.122 1.00 0.00 C ATOM 934 O SER A 72 8.933 -3.161 -5.250 1.00 0.00 O ATOM 935 CB SER A 72 6.966 -4.715 -7.152 1.00 0.00 C ATOM 936 OG SER A 72 8.168 -4.616 -7.902 1.00 0.00 O ATOM 0 H SER A 72 7.077 -2.423 -7.948 1.00 0.00 H new ATOM 0 HA SER A 72 5.792 -3.516 -5.780 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.980 -5.627 -6.556 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.116 -4.791 -7.830 1.00 0.00 H new ATOM 0 HG SER A 72 8.260 -5.403 -8.478 1.00 0.00 H new ATOM 942 N LEU A 73 7.366 -4.105 -3.960 1.00 0.00 N ATOM 943 CA LEU A 73 8.166 -4.167 -2.776 1.00 0.00 C ATOM 944 C LEU A 73 9.074 -5.348 -2.758 1.00 0.00 C ATOM 945 O LEU A 73 9.200 -6.058 -1.760 1.00 0.00 O ATOM 946 CB LEU A 73 7.232 -4.206 -1.555 1.00 0.00 C ATOM 947 CG LEU A 73 6.458 -2.902 -1.297 1.00 0.00 C ATOM 948 CD1 LEU A 73 5.233 -3.195 -0.415 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.324 -1.833 -0.609 1.00 0.00 C ATOM 0 H LEU A 73 6.438 -4.512 -3.841 1.00 0.00 H new ATOM 0 HA LEU A 73 8.802 -3.282 -2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.516 -5.017 -1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.823 -4.443 -0.670 1.00 0.00 H new ATOM 0 HG LEU A 73 6.151 -2.511 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.686 -2.270 -0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.582 -3.908 -0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.561 -3.615 0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.731 -0.932 -0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.675 -2.212 0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.180 -1.597 -1.241 1.00 0.00 H new ATOM 961 N GLU A 74 9.800 -5.613 -3.860 1.00 0.00 N ATOM 962 CA GLU A 74 10.767 -6.665 -3.916 1.00 0.00 C ATOM 963 C GLU A 74 11.997 -6.290 -3.164 1.00 0.00 C ATOM 964 O GLU A 74 12.695 -5.330 -3.486 1.00 0.00 O ATOM 965 CB GLU A 74 11.144 -7.095 -5.345 1.00 0.00 C ATOM 966 CG GLU A 74 9.981 -7.710 -6.127 1.00 0.00 C ATOM 967 CD GLU A 74 10.463 -8.712 -7.165 1.00 0.00 C ATOM 968 OE1 GLU A 74 10.985 -9.782 -6.752 1.00 0.00 O ATOM 969 OE2 GLU A 74 10.318 -8.470 -8.393 1.00 0.00 O ATOM 0 H GLU A 74 9.713 -5.086 -4.729 1.00 0.00 H new ATOM 0 HA GLU A 74 10.288 -7.525 -3.449 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.519 -6.228 -5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.959 -7.817 -5.295 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.299 -8.204 -5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.417 -6.919 -6.621 1.00 0.00 H new ATOM 976 N GLY A 75 12.289 -7.018 -2.071 1.00 0.00 N ATOM 977 CA GLY A 75 13.406 -6.741 -1.223 1.00 0.00 C ATOM 978 C GLY A 75 13.174 -5.684 -0.198 1.00 0.00 C ATOM 979 O GLY A 75 14.117 -5.278 0.480 1.00 0.00 O ATOM 0 H GLY A 75 11.734 -7.819 -1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.694 -7.661 -0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.250 -6.443 -1.845 1.00 0.00 H new ATOM 983 N ALA A 76 11.934 -5.198 -0.006 1.00 0.00 N ATOM 984 CA ALA A 76 11.653 -4.195 0.973 1.00 0.00 C ATOM 985 C ALA A 76 11.417 -4.759 2.331 1.00 0.00 C ATOM 986 O ALA A 76 10.741 -5.770 2.521 1.00 0.00 O ATOM 987 CB ALA A 76 10.501 -3.272 0.542 1.00 0.00 C ATOM 0 H ALA A 76 11.118 -5.504 -0.536 1.00 0.00 H new ATOM 0 HA ALA A 76 12.555 -3.586 1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.323 -2.526 1.317 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.765 -2.772 -0.390 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.597 -3.863 0.393 1.00 0.00 H new ATOM 993 N THR A 77 12.004 -4.124 3.360 1.00 0.00 N ATOM 994 CA THR A 77 11.941 -4.482 4.744 1.00 0.00 C ATOM 995 C THR A 77 10.862 -3.707 5.418 1.00 0.00 C ATOM 996 O THR A 77 10.012 -3.114 4.756 1.00 0.00 O ATOM 997 CB THR A 77 13.227 -4.217 5.469 1.00 0.00 C ATOM 998 OG1 THR A 77 13.608 -2.849 5.451 1.00 0.00 O ATOM 999 CG2 THR A 77 14.381 -4.969 4.783 1.00 0.00 C ATOM 0 H THR A 77 12.571 -3.289 3.210 1.00 0.00 H new ATOM 0 HA THR A 77 11.741 -5.553 4.779 1.00 0.00 H new ATOM 0 HB THR A 77 13.052 -4.541 6.495 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.450 -2.738 5.939 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.311 -4.771 5.315 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.176 -6.039 4.796 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.474 -4.630 3.751 1.00 0.00 H new ATOM 1007 N HIS A 78 10.868 -3.597 6.758 1.00 0.00 N ATOM 1008 CA HIS A 78 10.058 -2.635 7.439 1.00 0.00 C ATOM 1009 C HIS A 78 10.460 -1.241 7.101 1.00 0.00 C ATOM 1010 O HIS A 78 9.645 -0.462 6.609 1.00 0.00 O ATOM 1011 CB HIS A 78 10.077 -2.785 8.970 1.00 0.00 C ATOM 1012 CG HIS A 78 9.382 -1.668 9.690 1.00 0.00 C ATOM 1013 ND1 HIS A 78 8.021 -1.519 9.689 1.00 0.00 N ATOM 1014 CD2 HIS A 78 9.897 -0.534 10.236 1.00 0.00 C ATOM 1015 CE1 HIS A 78 7.715 -0.340 10.197 1.00 0.00 C ATOM 1016 NE2 HIS A 78 8.834 0.274 10.539 1.00 0.00 N ATOM 0 H HIS A 78 11.437 -4.178 7.373 1.00 0.00 H new ATOM 0 HA HIS A 78 9.044 -2.833 7.090 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.605 -3.730 9.240 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.112 -2.837 9.309 1.00 0.00 H new ATOM 0 HD1 HIS A 78 7.351 -2.209 9.350 1.00 0.00 H new ATOM 0 HD2 HIS A 78 10.942 -0.314 10.399 1.00 0.00 H new ATOM 0 HE1 HIS A 78 6.717 0.057 10.314 1.00 0.00 H new ATOM 1025 N LYS A 79 11.740 -0.884 7.317 1.00 0.00 N ATOM 1026 CA LYS A 79 12.247 0.428 7.062 1.00 0.00 C ATOM 1027 C LYS A 79 12.262 0.775 5.614 1.00 0.00 C ATOM 1028 O LYS A 79 11.906 1.886 5.222 1.00 0.00 O ATOM 1029 CB LYS A 79 13.641 0.595 7.690 1.00 0.00 C ATOM 1030 CG LYS A 79 14.102 2.050 7.790 1.00 0.00 C ATOM 1031 CD LYS A 79 15.401 2.188 8.585 1.00 0.00 C ATOM 1032 CE LYS A 79 15.753 3.618 8.995 1.00 0.00 C ATOM 1033 NZ LYS A 79 16.055 4.474 7.825 1.00 0.00 N ATOM 0 H LYS A 79 12.442 -1.528 7.680 1.00 0.00 H new ATOM 0 HA LYS A 79 11.561 1.132 7.533 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.635 0.156 8.688 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.365 0.034 7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.246 2.454 6.788 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.322 2.645 8.265 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.327 1.575 9.483 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.220 1.784 7.990 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.923 4.049 9.555 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.614 3.602 9.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.288 5.434 8.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.864 4.078 7.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.225 4.512 7.199 1.00 0.00 H new ATOM 1047 N GLN A 80 12.600 -0.175 4.724 1.00 0.00 N ATOM 1048 CA GLN A 80 12.522 0.029 3.311 1.00 0.00 C ATOM 1049 C GLN A 80 11.131 0.184 2.799 1.00 0.00 C ATOM 1050 O GLN A 80 10.888 0.990 1.903 1.00 0.00 O ATOM 1051 CB GLN A 80 13.278 -1.094 2.582 1.00 0.00 C ATOM 1052 CG GLN A 80 14.271 -0.584 1.535 1.00 0.00 C ATOM 1053 CD GLN A 80 15.233 -1.689 1.128 1.00 0.00 C ATOM 1054 OE1 GLN A 80 15.907 -2.284 1.969 1.00 0.00 O ATOM 1055 NE2 GLN A 80 15.316 -1.987 -0.196 1.00 0.00 N ATOM 0 H GLN A 80 12.933 -1.101 4.990 1.00 0.00 H new ATOM 0 HA GLN A 80 13.003 0.984 3.099 1.00 0.00 H new ATOM 0 HB2 GLN A 80 13.814 -1.696 3.316 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.556 -1.751 2.097 1.00 0.00 H new ATOM 0 HG2 GLN A 80 13.731 -0.223 0.659 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.829 0.262 1.937 1.00 0.00 H new ATOM 0 HE21 GLN A 80 14.745 -1.477 -0.870 1.00 0.00 H new ATOM 0 HE22 GLN A 80 15.949 -2.720 -0.515 1.00 0.00 H new ATOM 1064 N ALA A 81 10.126 -0.526 3.341 1.00 0.00 N ATOM 1065 CA ALA A 81 8.756 -0.295 3.001 1.00 0.00 C ATOM 1066 C ALA A 81 8.247 1.038 3.430 1.00 0.00 C ATOM 1067 O ALA A 81 7.535 1.689 2.667 1.00 0.00 O ATOM 1068 CB ALA A 81 7.845 -1.378 3.603 1.00 0.00 C ATOM 0 H ALA A 81 10.265 -1.270 4.024 1.00 0.00 H new ATOM 0 HA ALA A 81 8.728 -0.329 1.912 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.810 -1.177 3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.139 -2.355 3.219 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.940 -1.371 4.689 1.00 0.00 H new ATOM 1074 N VAL A 82 8.640 1.514 4.624 1.00 0.00 N ATOM 1075 CA VAL A 82 8.405 2.854 5.068 1.00 0.00 C ATOM 1076 C VAL A 82 8.931 3.832 4.074 1.00 0.00 C ATOM 1077 O VAL A 82 8.175 4.650 3.554 1.00 0.00 O ATOM 1078 CB VAL A 82 8.992 3.184 6.408 1.00 0.00 C ATOM 1079 CG1 VAL A 82 8.907 4.681 6.751 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.250 2.387 7.495 1.00 0.00 C ATOM 0 H VAL A 82 9.140 0.945 5.307 1.00 0.00 H new ATOM 0 HA VAL A 82 7.322 2.926 5.168 1.00 0.00 H new ATOM 0 HB VAL A 82 10.048 2.917 6.367 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.348 4.855 7.732 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.450 5.257 6.002 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.863 4.993 6.762 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.673 2.623 8.472 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.193 2.653 7.483 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.358 1.320 7.301 1.00 0.00 H new ATOM 1090 N GLU A 83 10.226 3.757 3.717 1.00 0.00 N ATOM 1091 CA GLU A 83 10.874 4.584 2.746 1.00 0.00 C ATOM 1092 C GLU A 83 10.244 4.635 1.397 1.00 0.00 C ATOM 1093 O GLU A 83 10.246 5.666 0.727 1.00 0.00 O ATOM 1094 CB GLU A 83 12.323 4.086 2.625 1.00 0.00 C ATOM 1095 CG GLU A 83 13.274 5.204 2.193 1.00 0.00 C ATOM 1096 CD GLU A 83 14.705 4.698 2.083 1.00 0.00 C ATOM 1097 OE1 GLU A 83 15.295 4.317 3.130 1.00 0.00 O ATOM 1098 OE2 GLU A 83 15.254 4.682 0.949 1.00 0.00 O ATOM 0 H GLU A 83 10.860 3.075 4.133 1.00 0.00 H new ATOM 0 HA GLU A 83 10.795 5.609 3.107 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.649 3.681 3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.368 3.271 1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.953 5.607 1.232 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.229 6.022 2.913 1.00 0.00 H new ATOM 1105 N THR A 84 9.642 3.512 0.966 1.00 0.00 N ATOM 1106 CA THR A 84 8.921 3.341 -0.258 1.00 0.00 C ATOM 1107 C THR A 84 7.645 4.109 -0.266 1.00 0.00 C ATOM 1108 O THR A 84 7.279 4.664 -1.301 1.00 0.00 O ATOM 1109 CB THR A 84 8.695 1.891 -0.569 1.00 0.00 C ATOM 1110 OG1 THR A 84 9.932 1.194 -0.580 1.00 0.00 O ATOM 1111 CG2 THR A 84 8.084 1.600 -1.949 1.00 0.00 C ATOM 0 H THR A 84 9.662 2.655 1.519 1.00 0.00 H new ATOM 0 HA THR A 84 9.544 3.751 -1.053 1.00 0.00 H new ATOM 0 HB THR A 84 8.000 1.572 0.208 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.198 0.985 0.340 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.962 0.524 -2.073 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.112 2.087 -2.026 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.744 1.983 -2.727 1.00 0.00 H new ATOM 1119 N LEU A 85 6.929 4.222 0.868 1.00 0.00 N ATOM 1120 CA LEU A 85 5.732 4.988 1.029 1.00 0.00 C ATOM 1121 C LEU A 85 5.943 6.403 1.441 1.00 0.00 C ATOM 1122 O LEU A 85 5.174 7.305 1.111 1.00 0.00 O ATOM 1123 CB LEU A 85 4.916 4.371 2.177 1.00 0.00 C ATOM 1124 CG LEU A 85 4.385 2.953 1.907 1.00 0.00 C ATOM 1125 CD1 LEU A 85 3.902 2.336 3.230 1.00 0.00 C ATOM 1126 CD2 LEU A 85 3.261 3.004 0.859 1.00 0.00 C ATOM 0 H LEU A 85 7.205 3.747 1.727 1.00 0.00 H new ATOM 0 HA LEU A 85 5.251 4.973 0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.538 4.346 3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.071 5.024 2.394 1.00 0.00 H new ATOM 0 HG LEU A 85 5.179 2.324 1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.524 1.330 3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.733 2.288 3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.106 2.952 3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.890 1.996 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.447 3.628 1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.648 3.425 -0.069 1.00 0.00 H new ATOM 1138 N ARG A 86 6.973 6.658 2.268 1.00 0.00 N ATOM 1139 CA ARG A 86 7.259 7.913 2.891 1.00 0.00 C ATOM 1140 C ARG A 86 7.963 8.855 1.976 1.00 0.00 C ATOM 1141 O ARG A 86 7.582 10.022 1.894 1.00 0.00 O ATOM 1142 CB ARG A 86 8.007 7.614 4.201 1.00 0.00 C ATOM 1143 CG ARG A 86 8.561 8.808 4.980 1.00 0.00 C ATOM 1144 CD ARG A 86 10.040 8.994 4.635 1.00 0.00 C ATOM 1145 NE ARG A 86 10.563 10.182 5.367 1.00 0.00 N ATOM 1146 CZ ARG A 86 10.990 10.138 6.662 1.00 0.00 C ATOM 1147 NH1 ARG A 86 11.292 8.960 7.284 1.00 0.00 N ATOM 1148 NH2 ARG A 86 11.156 11.294 7.369 1.00 0.00 N ATOM 0 H ARG A 86 7.651 5.938 2.517 1.00 0.00 H new ATOM 0 HA ARG A 86 6.339 8.446 3.131 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.331 7.067 4.858 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.838 6.947 3.971 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.002 9.710 4.732 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.443 8.644 6.051 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.606 8.104 4.910 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.162 9.130 3.560 1.00 0.00 H new ATOM 0 HE ARG A 86 10.604 11.074 4.874 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.201 8.079 6.779 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.609 8.962 8.254 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.961 12.193 6.929 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.475 11.258 8.337 1.00 0.00 H new ATOM 1162 N ASN A 87 8.993 8.433 1.223 1.00 0.00 N ATOM 1163 CA ASN A 87 9.771 9.332 0.428 1.00 0.00 C ATOM 1164 C ASN A 87 9.220 9.489 -0.948 1.00 0.00 C ATOM 1165 O ASN A 87 9.928 9.418 -1.952 1.00 0.00 O ATOM 1166 CB ASN A 87 11.239 8.875 0.416 1.00 0.00 C ATOM 1167 CG ASN A 87 12.201 9.990 0.031 1.00 0.00 C ATOM 1168 OD1 ASN A 87 11.886 11.178 0.090 1.00 0.00 O ATOM 1169 ND2 ASN A 87 13.448 9.613 -0.358 1.00 0.00 N ATOM 0 H ASN A 87 9.290 7.459 1.164 1.00 0.00 H new ATOM 0 HA ASN A 87 9.721 10.322 0.881 1.00 0.00 H new ATOM 0 HB2 ASN A 87 11.505 8.497 1.403 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.351 8.047 -0.284 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.140 10.320 -0.607 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.691 8.623 -0.401 1.00 0.00 H new ATOM 1176 N THR A 88 7.898 9.713 -1.046 1.00 0.00 N ATOM 1177 CA THR A 88 7.141 9.883 -2.247 1.00 0.00 C ATOM 1178 C THR A 88 6.738 11.307 -2.413 1.00 0.00 C ATOM 1179 O THR A 88 7.237 12.188 -1.715 1.00 0.00 O ATOM 1180 CB THR A 88 5.929 9.001 -2.184 1.00 0.00 C ATOM 1181 OG1 THR A 88 5.115 9.320 -1.066 1.00 0.00 O ATOM 1182 CG2 THR A 88 6.390 7.546 -1.993 1.00 0.00 C ATOM 0 H THR A 88 7.311 9.781 -0.215 1.00 0.00 H new ATOM 0 HA THR A 88 7.753 9.605 -3.105 1.00 0.00 H new ATOM 0 HB THR A 88 5.364 9.142 -3.105 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.200 8.617 -0.388 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.519 6.892 -1.945 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.020 7.251 -2.832 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.958 7.463 -1.066 1.00 0.00 H new ATOM 1190 N GLY A 89 5.801 11.620 -3.326 1.00 0.00 N ATOM 1191 CA GLY A 89 5.305 12.943 -3.543 1.00 0.00 C ATOM 1192 C GLY A 89 4.110 13.300 -2.728 1.00 0.00 C ATOM 1193 O GLY A 89 4.225 13.774 -1.598 1.00 0.00 O ATOM 0 H GLY A 89 5.373 10.924 -3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.101 13.655 -3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.055 13.054 -4.598 1.00 0.00 H new ATOM 1197 N GLN A 90 2.905 13.111 -3.295 1.00 0.00 N ATOM 1198 CA GLN A 90 1.651 13.423 -2.683 1.00 0.00 C ATOM 1199 C GLN A 90 0.717 12.275 -2.849 1.00 0.00 C ATOM 1200 O GLN A 90 0.205 11.735 -1.869 1.00 0.00 O ATOM 1201 CB GLN A 90 1.045 14.693 -3.304 1.00 0.00 C ATOM 1202 CG GLN A 90 -0.138 15.299 -2.549 1.00 0.00 C ATOM 1203 CD GLN A 90 0.289 16.103 -1.329 1.00 0.00 C ATOM 1204 OE1 GLN A 90 1.416 16.578 -1.196 1.00 0.00 O ATOM 1205 NE2 GLN A 90 -0.672 16.313 -0.390 1.00 0.00 N ATOM 0 H GLN A 90 2.801 12.719 -4.231 1.00 0.00 H new ATOM 0 HA GLN A 90 1.813 13.607 -1.621 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.828 15.447 -3.381 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.724 14.461 -4.320 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.702 15.943 -3.224 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.810 14.500 -2.235 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.602 15.913 -0.514 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.463 16.871 0.438 1.00 0.00 H new ATOM 1214 N VAL A 91 0.509 11.785 -4.084 1.00 0.00 N ATOM 1215 CA VAL A 91 -0.266 10.618 -4.368 1.00 0.00 C ATOM 1216 C VAL A 91 0.502 9.380 -4.052 1.00 0.00 C ATOM 1217 O VAL A 91 1.698 9.277 -4.322 1.00 0.00 O ATOM 1218 CB VAL A 91 -0.746 10.547 -5.788 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.317 9.182 -6.208 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -1.819 11.633 -5.971 1.00 0.00 C ATOM 0 H VAL A 91 0.898 12.221 -4.920 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.146 10.691 -3.729 1.00 0.00 H new ATOM 0 HB VAL A 91 0.121 10.702 -6.430 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.638 9.227 -7.249 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.549 8.417 -6.098 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.170 8.934 -5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.190 11.609 -6.996 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.643 11.450 -5.282 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.385 12.612 -5.765 1.00 0.00 H new ATOM 1230 N VAL A 92 -0.176 8.374 -3.471 1.00 0.00 N ATOM 1231 CA VAL A 92 0.338 7.042 -3.403 1.00 0.00 C ATOM 1232 C VAL A 92 -0.727 6.135 -3.914 1.00 0.00 C ATOM 1233 O VAL A 92 -1.854 6.132 -3.420 1.00 0.00 O ATOM 1234 CB VAL A 92 0.845 6.714 -2.029 1.00 0.00 C ATOM 1235 CG1 VAL A 92 0.474 5.306 -1.536 1.00 0.00 C ATOM 1236 CG2 VAL A 92 2.377 6.857 -2.000 1.00 0.00 C ATOM 0 H VAL A 92 -1.095 8.487 -3.042 1.00 0.00 H new ATOM 0 HA VAL A 92 1.220 6.917 -4.031 1.00 0.00 H new ATOM 0 HB VAL A 92 0.359 7.420 -1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.879 5.152 -0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.611 5.205 -1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.890 4.561 -2.215 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.746 6.619 -1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.820 6.173 -2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.652 7.881 -2.254 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.432 5.354 -4.968 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.224 4.247 -5.407 1.00 0.00 C ATOM 1248 C HIS A 93 -0.834 3.016 -4.664 1.00 0.00 C ATOM 1249 O HIS A 93 0.209 2.428 -4.952 1.00 0.00 O ATOM 1250 CB HIS A 93 -1.036 3.886 -6.890 1.00 0.00 C ATOM 1251 CG HIS A 93 -1.119 5.016 -7.874 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -1.648 6.263 -7.758 1.00 0.00 N flip ATOM 1253 CD2 HIS A 93 -0.586 4.827 -9.133 1.00 0.00 C flip ATOM 1254 CE1 HIS A 93 -1.409 6.883 -8.967 1.00 0.00 C flip ATOM 1255 NE2 HIS A 93 -0.769 5.977 -9.754 1.00 0.00 N flip ATOM 0 H HIS A 93 0.398 5.501 -5.542 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.253 4.562 -5.233 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -0.063 3.407 -7.003 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.789 3.145 -7.158 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -0.121 3.934 -9.524 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -1.678 7.894 -9.237 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -0.467 6.164 -10.710 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.642 2.534 -3.705 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.408 1.345 -2.946 1.00 0.00 C ATOM 1265 C LEU A 94 -1.961 0.169 -3.674 1.00 0.00 C ATOM 1266 O LEU A 94 -3.174 -0.003 -3.793 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.110 1.433 -1.580 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.432 2.297 -0.503 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -1.874 1.817 0.889 1.00 0.00 C ATOM 1270 CD2 LEU A 94 0.100 2.171 -0.529 1.00 0.00 C ATOM 0 H LEU A 94 -2.510 3.002 -3.444 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.333 1.237 -2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.117 1.819 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.215 0.422 -1.187 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.721 3.328 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.395 2.428 1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.957 1.907 0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.585 0.775 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.530 2.800 0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.383 1.133 -0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.475 2.490 -1.501 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.088 -0.717 -4.185 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.507 -1.942 -4.793 1.00 0.00 C ATOM 1284 C LEU A 95 -1.624 -2.980 -3.730 1.00 0.00 C ATOM 1285 O LEU A 95 -0.625 -3.560 -3.305 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.517 -2.362 -5.893 1.00 0.00 C ATOM 1287 CG LEU A 95 -1.195 -2.953 -7.140 1.00 0.00 C ATOM 1288 CD1 LEU A 95 -0.106 -3.446 -8.107 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -2.198 -4.070 -6.810 1.00 0.00 C ATOM 0 H LEU A 95 -0.077 -0.582 -4.176 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.478 -1.814 -5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.074 -1.495 -6.188 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.177 -3.097 -5.484 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.784 -2.166 -7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.573 -3.868 -8.997 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.531 -2.610 -8.394 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.497 -4.210 -7.617 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.642 -4.445 -7.732 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.682 -4.883 -6.299 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.983 -3.675 -6.164 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.867 -3.187 -3.260 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.254 -4.074 -2.207 1.00 0.00 C ATOM 1303 C LEU A 96 -3.840 -5.328 -2.757 1.00 0.00 C ATOM 1304 O LEU A 96 -4.589 -5.314 -3.733 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.307 -3.402 -1.310 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.742 -2.310 -0.388 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.785 -1.220 -0.091 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -3.226 -2.922 0.925 1.00 0.00 C ATOM 0 H LEU A 96 -3.668 -2.691 -3.651 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.361 -4.312 -1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.081 -2.965 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.788 -4.165 -0.699 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.909 -1.841 -0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.347 -0.466 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.098 -0.752 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.650 -1.668 0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.830 -2.132 1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.045 -3.427 1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.437 -3.641 0.706 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.531 -6.476 -2.127 1.00 0.00 N ATOM 1321 CA GLU A 97 -4.173 -7.741 -2.303 1.00 0.00 C ATOM 1322 C GLU A 97 -4.970 -8.013 -1.075 1.00 0.00 C ATOM 1323 O GLU A 97 -4.548 -7.729 0.045 1.00 0.00 O ATOM 1324 CB GLU A 97 -3.142 -8.866 -2.493 1.00 0.00 C ATOM 1325 CG GLU A 97 -3.691 -10.272 -2.744 1.00 0.00 C ATOM 1326 CD GLU A 97 -2.590 -11.303 -2.947 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -1.885 -11.262 -3.991 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -2.427 -12.198 -2.076 1.00 0.00 O ATOM 0 H GLU A 97 -2.775 -6.521 -1.444 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.803 -7.709 -3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.498 -8.598 -3.331 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.511 -8.902 -1.605 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.313 -10.571 -1.900 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.334 -10.255 -3.624 1.00 0.00 H new ATOM 1335 N LYS A 98 -6.169 -8.592 -1.264 1.00 0.00 N ATOM 1336 CA LYS A 98 -7.101 -8.957 -0.244 1.00 0.00 C ATOM 1337 C LYS A 98 -6.561 -9.930 0.748 1.00 0.00 C ATOM 1338 O LYS A 98 -6.189 -11.050 0.401 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.332 -9.576 -0.928 1.00 0.00 C ATOM 1340 CG LYS A 98 -9.572 -9.801 -0.060 1.00 0.00 C ATOM 1341 CD LYS A 98 -10.392 -8.522 0.124 1.00 0.00 C ATOM 1342 CE LYS A 98 -11.644 -8.649 0.994 1.00 0.00 C ATOM 1343 NZ LYS A 98 -11.309 -8.543 2.431 1.00 0.00 N ATOM 0 H LYS A 98 -6.510 -8.821 -2.198 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.343 -8.052 0.314 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.615 -8.933 -1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.037 -10.536 -1.351 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.197 -10.569 -0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.266 -10.177 0.916 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.746 -7.759 0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.692 -8.161 -0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.357 -7.870 0.726 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.129 -9.606 0.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.177 -8.633 2.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.647 -9.302 2.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.868 -7.620 2.617 1.00 0.00 H new ATOM 1434 N LEU B 206 9.302 -2.553 14.168 1.00 0.00 N ATOM 1435 CA LEU B 206 8.098 -2.811 13.440 1.00 0.00 C ATOM 1436 C LEU B 206 7.162 -1.666 13.622 1.00 0.00 C ATOM 1437 O LEU B 206 7.229 -0.959 14.626 1.00 0.00 O ATOM 1438 CB LEU B 206 7.376 -4.069 13.953 1.00 0.00 C ATOM 1439 CG LEU B 206 6.303 -4.662 13.023 1.00 0.00 C ATOM 1440 CD1 LEU B 206 6.990 -5.337 11.824 1.00 0.00 C ATOM 1441 CD2 LEU B 206 5.497 -5.697 13.826 1.00 0.00 C ATOM 0 HA LEU B 206 8.375 -2.953 12.395 1.00 0.00 H new ATOM 0 HB2 LEU B 206 8.124 -4.838 14.148 1.00 0.00 H new ATOM 0 HB3 LEU B 206 6.908 -3.830 14.908 1.00 0.00 H new ATOM 0 HG LEU B 206 5.638 -3.883 12.651 1.00 0.00 H new ATOM 0 HD11 LEU B 206 6.234 -5.759 11.162 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.579 -4.599 11.279 1.00 0.00 H new ATOM 0 HD13 LEU B 206 7.645 -6.132 12.180 1.00 0.00 H new ATOM 0 HD21 LEU B 206 4.728 -6.133 13.189 1.00 0.00 H new ATOM 0 HD22 LEU B 206 6.164 -6.483 14.180 1.00 0.00 H new ATOM 0 HD23 LEU B 206 5.027 -5.209 14.680 1.00 0.00 H new ATOM 1453 N VAL B 207 6.233 -1.474 12.668 1.00 0.00 N ATOM 1454 CA VAL B 207 5.084 -0.639 12.826 1.00 0.00 C ATOM 1455 C VAL B 207 5.378 0.822 12.863 1.00 0.00 C ATOM 1456 O VAL B 207 5.893 1.406 13.815 1.00 0.00 O ATOM 1457 CB VAL B 207 4.089 -1.179 13.810 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.289 -0.098 14.557 1.00 0.00 C ATOM 1459 CG2 VAL B 207 3.159 -2.140 13.049 1.00 0.00 C ATOM 0 H VAL B 207 6.285 -1.918 11.751 1.00 0.00 H new ATOM 0 HA VAL B 207 4.529 -0.698 11.890 1.00 0.00 H new ATOM 0 HB VAL B 207 4.635 -1.698 14.598 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.593 -0.573 15.248 1.00 0.00 H new ATOM 0 HG12 VAL B 207 3.974 0.542 15.114 1.00 0.00 H new ATOM 0 HG13 VAL B 207 2.733 0.504 13.839 1.00 0.00 H new ATOM 0 HG21 VAL B 207 2.421 -2.552 13.737 1.00 0.00 H new ATOM 0 HG22 VAL B 207 2.650 -1.599 12.252 1.00 0.00 H new ATOM 0 HG23 VAL B 207 3.747 -2.951 12.619 1.00 0.00 H new ATOM 1469 N THR B 208 5.071 1.474 11.727 1.00 0.00 N ATOM 1470 CA THR B 208 5.330 2.865 11.517 1.00 0.00 C ATOM 1471 C THR B 208 4.143 3.322 10.741 1.00 0.00 C ATOM 1472 O THR B 208 3.871 2.755 9.684 1.00 0.00 O ATOM 1473 CB THR B 208 6.561 3.125 10.700 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.712 2.767 11.451 1.00 0.00 O ATOM 1475 CG2 THR B 208 6.723 4.599 10.294 1.00 0.00 C ATOM 0 H THR B 208 4.628 1.019 10.929 1.00 0.00 H new ATOM 0 HA THR B 208 5.493 3.374 12.467 1.00 0.00 H new ATOM 0 HB THR B 208 6.454 2.528 9.794 1.00 0.00 H new ATOM 0 HG1 THR B 208 8.105 1.950 11.078 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.633 4.716 9.706 1.00 0.00 H new ATOM 0 HG22 THR B 208 5.864 4.909 9.699 1.00 0.00 H new ATOM 0 HG23 THR B 208 6.787 5.218 11.189 1.00 0.00 H new ATOM 1483 N SER B 209 3.396 4.317 11.251 1.00 0.00 N ATOM 1484 CA SER B 209 2.341 4.952 10.525 1.00 0.00 C ATOM 1485 C SER B 209 2.922 5.889 9.523 1.00 0.00 C ATOM 1486 O SER B 209 3.757 6.720 9.880 1.00 0.00 O ATOM 1487 CB SER B 209 1.344 5.734 11.399 1.00 0.00 C ATOM 1488 OG SER B 209 0.918 4.974 12.520 1.00 0.00 O ATOM 0 H SER B 209 3.529 4.689 12.191 1.00 0.00 H new ATOM 0 HA SER B 209 1.781 4.144 10.055 1.00 0.00 H new ATOM 0 HB2 SER B 209 1.808 6.659 11.742 1.00 0.00 H new ATOM 0 HB3 SER B 209 0.478 6.015 10.800 1.00 0.00 H new ATOM 0 HG SER B 209 0.943 4.020 12.297 1.00 0.00 H new ATOM 1494 N VAL B 210 2.551 5.772 8.236 1.00 0.00 N ATOM 1495 CA VAL B 210 3.113 6.563 7.186 1.00 0.00 C ATOM 1496 C VAL B 210 2.104 6.433 6.054 1.00 0.00 C ATOM 1497 O VAL B 210 1.043 5.784 6.255 1.00 0.00 O ATOM 1498 CB VAL B 210 4.530 6.216 6.838 1.00 0.00 C ATOM 1499 CG1 VAL B 210 4.715 5.524 5.476 1.00 0.00 C ATOM 1500 CG2 VAL B 210 5.376 7.497 6.929 1.00 0.00 C ATOM 1501 OXT VAL B 210 2.288 7.105 5.004 1.00 0.00 O ATOM 0 H VAL B 210 1.843 5.111 7.917 1.00 0.00 H new ATOM 0 HA VAL B 210 3.246 7.605 7.475 1.00 0.00 H new ATOM 0 HB VAL B 210 4.863 5.470 7.559 1.00 0.00 H new ATOM 0 HG11 VAL B 210 5.772 5.314 5.315 1.00 0.00 H new ATOM 0 HG12 VAL B 210 4.153 4.590 5.463 1.00 0.00 H new ATOM 0 HG13 VAL B 210 4.351 6.177 4.683 1.00 0.00 H new ATOM 0 HG21 VAL B 210 6.412 7.267 6.679 1.00 0.00 H new ATOM 0 HG22 VAL B 210 4.990 8.238 6.229 1.00 0.00 H new ATOM 0 HG23 VAL B 210 5.327 7.894 7.943 1.00 0.00 H new