USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=17 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+ 169:sc= 2.48 (180deg=1.09) USER MOD Set 1.2: A 88 THR OG1 : rot -98:sc= 2.32 USER MOD Set 2.1: A 78 HIS : no HE2:sc= 0.348 K(o=1.6,f=-7.1!) USER MOD Set 2.2: B 208 THR OG1 : rot 114:sc= 1.29 USER MOD Single : A 13 THR OG1 : rot -23:sc= 0.129 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.147 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.511 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 -37:sc= 0.331 USER MOD Single : A 60 HIS : no HD1:sc= -1.92! C(o=-1.9!,f=-3.7!) USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.23) USER MOD Single : A 69 ASN : amide:sc= -0.0519 K(o=-0.052,f=-1.2) USER MOD Single : A 72 SER OG : rot 117:sc= 1.3 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 79 LYS NZ :NH3+ -149:sc= 1.31 (180deg=1.14) USER MOD Single : A 80 GLN : amide:sc= -0.0456 K(o=-0.046,f=-3.7!) USER MOD Single : A 84 THR OG1 : rot 73:sc= 0.42 USER MOD Single : A 87 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.12) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 93 HIS : no HD1:sc= -0.619 X(o=-0.62,f=-0.66) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 209 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 73 N THR A 13 -6.598 -7.856 -5.677 1.00 0.00 N ATOM 74 CA THR A 13 -5.845 -6.698 -6.051 1.00 0.00 C ATOM 75 C THR A 13 -6.768 -5.528 -6.065 1.00 0.00 C ATOM 76 O THR A 13 -7.839 -5.563 -6.668 1.00 0.00 O ATOM 77 CB THR A 13 -5.107 -6.734 -7.356 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.817 -7.427 -8.374 1.00 0.00 O ATOM 79 CG2 THR A 13 -3.751 -7.428 -7.148 1.00 0.00 C ATOM 0 HA THR A 13 -5.054 -6.640 -5.303 1.00 0.00 H new ATOM 0 HB THR A 13 -4.983 -5.701 -7.683 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.458 -8.044 -7.964 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.209 -7.458 -8.093 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.168 -6.874 -6.412 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.914 -8.445 -6.791 1.00 0.00 H new ATOM 87 N PHE A 14 -6.387 -4.439 -5.374 1.00 0.00 N ATOM 88 CA PHE A 14 -7.006 -3.155 -5.495 1.00 0.00 C ATOM 89 C PHE A 14 -5.924 -2.142 -5.646 1.00 0.00 C ATOM 90 O PHE A 14 -5.131 -1.914 -4.734 1.00 0.00 O ATOM 91 CB PHE A 14 -8.021 -2.686 -4.439 1.00 0.00 C ATOM 92 CG PHE A 14 -7.853 -3.083 -3.012 1.00 0.00 C ATOM 93 CD1 PHE A 14 -7.692 -4.391 -2.619 1.00 0.00 C ATOM 94 CD2 PHE A 14 -8.012 -2.133 -2.031 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.581 -4.734 -1.292 1.00 0.00 C ATOM 96 CE2 PHE A 14 -7.882 -2.455 -0.700 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.664 -3.759 -0.324 1.00 0.00 C ATOM 0 H PHE A 14 -5.618 -4.453 -4.705 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.654 -3.268 -6.364 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.042 -1.597 -4.472 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.004 -3.033 -4.758 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.652 -5.166 -3.370 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.243 -1.116 -2.310 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.429 -5.765 -1.010 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.951 -1.682 0.051 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.559 -4.016 0.720 1.00 0.00 H new ATOM 107 N GLU A 15 -5.862 -1.474 -6.811 1.00 0.00 N ATOM 108 CA GLU A 15 -5.073 -0.298 -7.012 1.00 0.00 C ATOM 109 C GLU A 15 -5.825 0.910 -6.571 1.00 0.00 C ATOM 110 O GLU A 15 -6.600 1.514 -7.310 1.00 0.00 O ATOM 111 CB GLU A 15 -4.648 -0.190 -8.485 1.00 0.00 C ATOM 112 CG GLU A 15 -3.236 0.387 -8.607 1.00 0.00 C ATOM 113 CD GLU A 15 -2.888 0.812 -10.026 1.00 0.00 C ATOM 114 OE1 GLU A 15 -3.147 0.033 -10.981 1.00 0.00 O ATOM 115 OE2 GLU A 15 -2.341 1.934 -10.197 1.00 0.00 O ATOM 0 H GLU A 15 -6.379 -1.762 -7.642 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.169 -0.366 -6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.684 -1.175 -8.951 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.352 0.444 -9.025 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.142 1.246 -7.943 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.515 -0.357 -8.269 1.00 0.00 H new ATOM 122 N VAL A 16 -5.647 1.296 -5.294 1.00 0.00 N ATOM 123 CA VAL A 16 -6.168 2.477 -4.677 1.00 0.00 C ATOM 124 C VAL A 16 -5.287 3.624 -5.033 1.00 0.00 C ATOM 125 O VAL A 16 -4.109 3.426 -5.328 1.00 0.00 O ATOM 126 CB VAL A 16 -6.201 2.272 -3.192 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.811 3.466 -2.437 1.00 0.00 C ATOM 128 CG2 VAL A 16 -7.023 1.016 -2.858 1.00 0.00 C ATOM 0 H VAL A 16 -5.095 0.737 -4.643 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.180 2.685 -5.024 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.165 2.163 -2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.808 3.260 -1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.222 4.361 -2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.836 3.624 -2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.044 0.871 -1.778 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.041 1.139 -3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.567 0.146 -3.332 1.00 0.00 H new ATOM 138 N GLU A 17 -5.766 4.881 -5.051 1.00 0.00 N ATOM 139 CA GLU A 17 -4.947 6.042 -5.204 1.00 0.00 C ATOM 140 C GLU A 17 -5.282 7.053 -4.161 1.00 0.00 C ATOM 141 O GLU A 17 -6.385 7.590 -4.079 1.00 0.00 O ATOM 142 CB GLU A 17 -4.957 6.529 -6.662 1.00 0.00 C ATOM 143 CG GLU A 17 -6.061 7.505 -7.073 1.00 0.00 C ATOM 144 CD GLU A 17 -6.328 7.556 -8.571 1.00 0.00 C ATOM 145 OE1 GLU A 17 -5.359 7.670 -9.369 1.00 0.00 O ATOM 146 OE2 GLU A 17 -7.522 7.510 -8.971 1.00 0.00 O ATOM 0 H GLU A 17 -6.759 5.096 -4.956 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.899 5.804 -5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.997 7.003 -6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.024 5.654 -7.308 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.983 7.229 -6.561 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.793 8.504 -6.730 1.00 0.00 H new ATOM 153 N LEU A 18 -4.328 7.305 -3.246 1.00 0.00 N ATOM 154 CA LEU A 18 -4.533 8.093 -2.072 1.00 0.00 C ATOM 155 C LEU A 18 -3.631 9.280 -2.061 1.00 0.00 C ATOM 156 O LEU A 18 -2.514 9.224 -2.572 1.00 0.00 O ATOM 157 CB LEU A 18 -4.141 7.328 -0.797 1.00 0.00 C ATOM 158 CG LEU A 18 -4.921 6.023 -0.565 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.320 5.299 0.652 1.00 0.00 C ATOM 160 CD2 LEU A 18 -6.430 6.277 -0.410 1.00 0.00 C ATOM 0 H LEU A 18 -3.377 6.945 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.590 8.359 -2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.077 7.096 -0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.289 7.982 0.063 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.823 5.381 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.864 4.371 0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.271 5.074 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.399 5.938 1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.944 5.329 -0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.603 6.934 0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.814 6.748 -1.315 1.00 0.00 H new ATOM 172 N ALA A 19 -4.055 10.370 -1.397 1.00 0.00 N ATOM 173 CA ALA A 19 -3.186 11.447 -1.041 1.00 0.00 C ATOM 174 C ALA A 19 -2.895 11.372 0.419 1.00 0.00 C ATOM 175 O ALA A 19 -3.796 11.443 1.253 1.00 0.00 O ATOM 176 CB ALA A 19 -3.792 12.798 -1.455 1.00 0.00 C ATOM 0 H ALA A 19 -5.022 10.505 -1.102 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.243 11.360 -1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.113 13.603 -1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.945 12.813 -2.534 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.748 12.938 -0.951 1.00 0.00 H new ATOM 182 N LYS A 20 -1.618 11.185 0.795 1.00 0.00 N ATOM 183 CA LYS A 20 -1.198 11.054 2.156 1.00 0.00 C ATOM 184 C LYS A 20 -1.342 12.323 2.924 1.00 0.00 C ATOM 185 O LYS A 20 -0.986 13.395 2.438 1.00 0.00 O ATOM 186 CB LYS A 20 0.263 10.600 2.317 1.00 0.00 C ATOM 187 CG LYS A 20 0.829 9.689 1.225 1.00 0.00 C ATOM 188 CD LYS A 20 1.967 10.323 0.423 1.00 0.00 C ATOM 189 CE LYS A 20 3.284 10.383 1.201 1.00 0.00 C ATOM 190 NZ LYS A 20 4.392 10.853 0.340 1.00 0.00 N ATOM 0 H LYS A 20 -0.849 11.123 0.127 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.862 10.285 2.550 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.890 11.490 2.376 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.354 10.082 3.272 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.189 8.768 1.683 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.025 9.413 0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.119 9.754 -0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.679 11.332 0.129 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.175 11.051 2.055 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.521 9.396 1.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.224 11.062 0.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.633 10.113 -0.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.099 11.714 -0.164 1.00 0.00 H new ATOM 204 N THR A 21 -1.824 12.259 4.178 1.00 0.00 N ATOM 205 CA THR A 21 -1.955 13.400 5.030 1.00 0.00 C ATOM 206 C THR A 21 -0.695 13.575 5.807 1.00 0.00 C ATOM 207 O THR A 21 -0.382 12.836 6.738 1.00 0.00 O ATOM 208 CB THR A 21 -3.197 13.389 5.869 1.00 0.00 C ATOM 209 OG1 THR A 21 -3.307 14.545 6.688 1.00 0.00 O ATOM 210 CG2 THR A 21 -3.337 12.154 6.775 1.00 0.00 C ATOM 0 H THR A 21 -2.131 11.389 4.612 1.00 0.00 H new ATOM 0 HA THR A 21 -2.094 14.283 4.407 1.00 0.00 H new ATOM 0 HB THR A 21 -4.000 13.367 5.132 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.131 14.495 7.215 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.262 12.226 7.347 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.359 11.253 6.162 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.490 12.107 7.459 1.00 0.00 H new ATOM 218 N ASP A 22 0.132 14.553 5.394 1.00 0.00 N ATOM 219 CA ASP A 22 1.412 14.901 5.927 1.00 0.00 C ATOM 220 C ASP A 22 2.374 13.771 6.059 1.00 0.00 C ATOM 221 O ASP A 22 3.063 13.608 7.066 1.00 0.00 O ATOM 222 CB ASP A 22 1.303 15.680 7.248 1.00 0.00 C ATOM 223 CG ASP A 22 0.514 16.978 7.158 1.00 0.00 C ATOM 224 OD1 ASP A 22 -0.016 17.365 6.084 1.00 0.00 O ATOM 225 OD2 ASP A 22 0.427 17.636 8.230 1.00 0.00 O ATOM 0 H ASP A 22 -0.123 15.156 4.612 1.00 0.00 H new ATOM 0 HA ASP A 22 1.836 15.556 5.166 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.836 15.038 7.995 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.308 15.906 7.605 1.00 0.00 H new ATOM 230 N GLY A 23 2.480 12.914 5.029 1.00 0.00 N ATOM 231 CA GLY A 23 3.268 11.721 5.089 1.00 0.00 C ATOM 232 C GLY A 23 2.697 10.649 5.952 1.00 0.00 C ATOM 233 O GLY A 23 3.394 10.073 6.785 1.00 0.00 O ATOM 0 H GLY A 23 2.009 13.052 4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.391 11.330 4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.262 11.975 5.456 1.00 0.00 H new ATOM 237 N SER A 24 1.401 10.336 5.778 1.00 0.00 N ATOM 238 CA SER A 24 0.721 9.318 6.518 1.00 0.00 C ATOM 239 C SER A 24 -0.497 9.012 5.717 1.00 0.00 C ATOM 240 O SER A 24 -1.403 9.823 5.535 1.00 0.00 O ATOM 241 CB SER A 24 0.355 9.686 7.966 1.00 0.00 C ATOM 242 OG SER A 24 -0.183 8.573 8.663 1.00 0.00 O ATOM 0 H SER A 24 0.805 10.808 5.098 1.00 0.00 H new ATOM 0 HA SER A 24 1.386 8.464 6.648 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.242 10.049 8.486 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.369 10.501 7.964 1.00 0.00 H new ATOM 0 HG SER A 24 -0.404 8.837 9.580 1.00 0.00 H new ATOM 248 N LEU A 25 -0.531 7.798 5.138 1.00 0.00 N ATOM 249 CA LEU A 25 -1.677 7.190 4.538 1.00 0.00 C ATOM 250 C LEU A 25 -2.563 6.777 5.664 1.00 0.00 C ATOM 251 O LEU A 25 -3.771 7.010 5.692 1.00 0.00 O ATOM 252 CB LEU A 25 -1.214 5.922 3.801 1.00 0.00 C ATOM 253 CG LEU A 25 -0.076 6.121 2.785 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.740 4.824 2.656 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.597 6.610 1.423 1.00 0.00 C ATOM 0 H LEU A 25 0.296 7.204 5.086 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.183 7.863 3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.892 5.190 4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.070 5.493 3.281 1.00 0.00 H new ATOM 0 HG LEU A 25 0.582 6.907 3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.545 4.970 1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.164 4.563 3.626 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.090 4.018 2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.241 6.737 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.292 5.877 1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.109 7.564 1.550 1.00 0.00 H new ATOM 267 N GLY A 26 -1.920 6.164 6.673 1.00 0.00 N ATOM 268 CA GLY A 26 -2.493 5.855 7.947 1.00 0.00 C ATOM 269 C GLY A 26 -2.324 4.411 8.275 1.00 0.00 C ATOM 270 O GLY A 26 -3.166 3.805 8.933 1.00 0.00 O ATOM 0 H GLY A 26 -0.947 5.868 6.596 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.022 6.464 8.719 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.553 6.109 7.944 1.00 0.00 H new ATOM 274 N ILE A 27 -1.220 3.811 7.796 1.00 0.00 N ATOM 275 CA ILE A 27 -0.998 2.407 7.948 1.00 0.00 C ATOM 276 C ILE A 27 0.260 2.153 8.704 1.00 0.00 C ATOM 277 O ILE A 27 1.340 2.639 8.366 1.00 0.00 O ATOM 278 CB ILE A 27 -1.057 1.702 6.626 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.019 2.245 5.628 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.494 1.890 6.109 1.00 0.00 C ATOM 281 CD1 ILE A 27 -0.039 1.540 4.272 1.00 0.00 C ATOM 0 H ILE A 27 -0.476 4.302 7.300 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.805 1.983 8.545 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.811 0.646 6.741 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.197 3.310 5.476 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.976 2.147 6.063 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.601 1.396 5.143 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.196 1.454 6.819 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.704 2.954 5.998 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.720 1.978 3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.170 0.479 4.410 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.021 1.660 3.814 1.00 0.00 H new ATOM 293 N SER A 28 0.149 1.382 9.800 1.00 0.00 N ATOM 294 CA SER A 28 1.256 0.807 10.498 1.00 0.00 C ATOM 295 C SER A 28 1.768 -0.407 9.803 1.00 0.00 C ATOM 296 O SER A 28 1.082 -1.425 9.725 1.00 0.00 O ATOM 297 CB SER A 28 0.986 0.329 11.935 1.00 0.00 C ATOM 298 OG SER A 28 0.939 1.421 12.841 1.00 0.00 O ATOM 0 H SER A 28 -0.752 1.149 10.218 1.00 0.00 H new ATOM 0 HA SER A 28 1.956 1.642 10.522 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.042 -0.215 11.968 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.766 -0.368 12.242 1.00 0.00 H new ATOM 0 HG SER A 28 0.764 1.088 13.746 1.00 0.00 H new ATOM 304 N VAL A 29 3.008 -0.353 9.287 1.00 0.00 N ATOM 305 CA VAL A 29 3.551 -1.400 8.477 1.00 0.00 C ATOM 306 C VAL A 29 4.265 -2.487 9.205 1.00 0.00 C ATOM 307 O VAL A 29 5.161 -2.274 10.020 1.00 0.00 O ATOM 308 CB VAL A 29 4.341 -0.838 7.332 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.397 0.099 6.561 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.606 -0.094 7.792 1.00 0.00 C ATOM 0 H VAL A 29 3.645 0.430 9.434 1.00 0.00 H new ATOM 0 HA VAL A 29 2.684 -1.922 8.073 1.00 0.00 H new ATOM 0 HB VAL A 29 4.700 -1.649 6.699 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.928 0.535 5.715 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.539 -0.467 6.199 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.054 0.895 7.222 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.138 0.291 6.922 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.325 0.735 8.442 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.253 -0.780 8.339 1.00 0.00 H new ATOM 320 N THR A 30 3.862 -3.740 8.927 1.00 0.00 N ATOM 321 CA THR A 30 4.383 -4.965 9.449 1.00 0.00 C ATOM 322 C THR A 30 4.706 -5.870 8.311 1.00 0.00 C ATOM 323 O THR A 30 4.522 -5.533 7.143 1.00 0.00 O ATOM 324 CB THR A 30 3.437 -5.631 10.404 1.00 0.00 C ATOM 325 OG1 THR A 30 3.943 -6.793 11.044 1.00 0.00 O ATOM 326 CG2 THR A 30 2.132 -6.052 9.705 1.00 0.00 C ATOM 0 H THR A 30 3.097 -3.909 8.273 1.00 0.00 H new ATOM 0 HA THR A 30 5.284 -4.739 10.019 1.00 0.00 H new ATOM 0 HB THR A 30 3.272 -4.864 11.161 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.262 -7.157 11.647 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.471 -6.531 10.427 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.640 -5.172 9.291 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.359 -6.752 8.901 1.00 0.00 H new ATOM 334 N GLY A 31 5.207 -7.086 8.597 1.00 0.00 N ATOM 335 CA GLY A 31 5.555 -8.070 7.619 1.00 0.00 C ATOM 336 C GLY A 31 6.929 -7.860 7.083 1.00 0.00 C ATOM 337 O GLY A 31 7.895 -7.800 7.842 1.00 0.00 O ATOM 0 H GLY A 31 5.377 -7.397 9.554 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.487 -9.063 8.063 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.837 -8.037 6.800 1.00 0.00 H new ATOM 341 N GLY A 32 7.075 -7.750 5.750 1.00 0.00 N ATOM 342 CA GLY A 32 8.321 -7.442 5.119 1.00 0.00 C ATOM 343 C GLY A 32 9.197 -8.625 4.889 1.00 0.00 C ATOM 344 O GLY A 32 9.039 -9.676 5.507 1.00 0.00 O ATOM 0 H GLY A 32 6.305 -7.879 5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.122 -6.960 4.162 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.858 -6.720 5.734 1.00 0.00 H new ATOM 348 N VAL A 33 10.195 -8.479 4.000 1.00 0.00 N ATOM 349 CA VAL A 33 11.109 -9.506 3.604 1.00 0.00 C ATOM 350 C VAL A 33 11.809 -10.157 4.747 1.00 0.00 C ATOM 351 O VAL A 33 12.089 -11.355 4.735 1.00 0.00 O ATOM 352 CB VAL A 33 12.100 -9.018 2.590 1.00 0.00 C ATOM 353 CG1 VAL A 33 13.160 -8.061 3.162 1.00 0.00 C ATOM 354 CG2 VAL A 33 12.798 -10.201 1.898 1.00 0.00 C ATOM 0 H VAL A 33 10.375 -7.592 3.530 1.00 0.00 H new ATOM 0 HA VAL A 33 10.488 -10.272 3.140 1.00 0.00 H new ATOM 0 HB VAL A 33 11.517 -8.447 1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.839 -7.753 2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 33 12.669 -7.182 3.581 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.724 -8.569 3.944 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.513 -9.824 1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 33 13.322 -10.800 2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 33 12.054 -10.818 1.394 1.00 0.00 H new ATOM 467 N GLY A 41 6.401 -7.749 -0.305 1.00 0.00 N ATOM 468 CA GLY A 41 5.228 -7.057 0.131 1.00 0.00 C ATOM 469 C GLY A 41 5.397 -6.563 1.526 1.00 0.00 C ATOM 470 O GLY A 41 6.189 -7.082 2.311 1.00 0.00 O ATOM 0 HA2 GLY A 41 5.026 -6.218 -0.535 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.366 -7.722 0.077 1.00 0.00 H new ATOM 474 N ILE A 42 4.648 -5.511 1.902 1.00 0.00 N ATOM 475 CA ILE A 42 4.555 -5.054 3.254 1.00 0.00 C ATOM 476 C ILE A 42 3.129 -5.276 3.623 1.00 0.00 C ATOM 477 O ILE A 42 2.287 -5.536 2.765 1.00 0.00 O ATOM 478 CB ILE A 42 5.064 -3.660 3.471 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.492 -3.400 4.925 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.081 -2.559 3.037 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.752 -4.143 5.365 1.00 0.00 C ATOM 0 H ILE A 42 4.091 -4.962 1.247 1.00 0.00 H new ATOM 0 HA ILE A 42 5.219 -5.607 3.918 1.00 0.00 H new ATOM 0 HB ILE A 42 5.939 -3.604 2.823 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.654 -2.330 5.055 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.672 -3.681 5.586 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.523 -1.581 3.227 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.867 -2.661 1.973 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.155 -2.654 3.604 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.975 -3.897 6.403 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.592 -5.217 5.272 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.589 -3.845 4.734 1.00 0.00 H new ATOM 493 N TYR A 43 2.775 -5.299 4.922 1.00 0.00 N ATOM 494 CA TYR A 43 1.461 -5.700 5.320 1.00 0.00 C ATOM 495 C TYR A 43 0.993 -4.698 6.318 1.00 0.00 C ATOM 496 O TYR A 43 1.771 -3.929 6.881 1.00 0.00 O ATOM 497 CB TYR A 43 1.489 -7.087 5.983 1.00 0.00 C ATOM 498 CG TYR A 43 1.789 -8.198 5.037 1.00 0.00 C ATOM 499 CD1 TYR A 43 3.045 -8.382 4.507 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.793 -9.083 4.701 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.281 -9.383 3.593 1.00 0.00 C ATOM 502 CE2 TYR A 43 1.038 -10.124 3.835 1.00 0.00 C ATOM 503 CZ TYR A 43 2.284 -10.274 3.273 1.00 0.00 C ATOM 504 OH TYR A 43 2.511 -11.316 2.350 1.00 0.00 O ATOM 0 H TYR A 43 3.394 -5.042 5.691 1.00 0.00 H new ATOM 0 HA TYR A 43 0.804 -5.754 4.452 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.237 -7.086 6.776 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.524 -7.274 6.455 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.854 -7.734 4.811 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.194 -8.960 5.122 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.251 -9.469 3.126 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.251 -10.824 3.596 1.00 0.00 H new ATOM 0 HH TYR A 43 1.694 -11.847 2.249 1.00 0.00 H new ATOM 514 N VAL A 44 -0.327 -4.635 6.569 1.00 0.00 N ATOM 515 CA VAL A 44 -0.903 -3.810 7.586 1.00 0.00 C ATOM 516 C VAL A 44 -0.857 -4.497 8.907 1.00 0.00 C ATOM 517 O VAL A 44 -1.235 -5.658 9.046 1.00 0.00 O ATOM 518 CB VAL A 44 -2.350 -3.572 7.271 1.00 0.00 C ATOM 519 CG1 VAL A 44 -3.065 -2.754 8.360 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.498 -2.849 5.921 1.00 0.00 C ATOM 0 H VAL A 44 -1.016 -5.176 6.047 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.340 -2.878 7.622 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.820 -4.554 7.224 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.109 -2.611 8.081 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.013 -3.287 9.309 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.581 -1.783 8.462 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.555 -2.685 5.710 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.984 -1.889 5.964 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.061 -3.460 5.131 1.00 0.00 H new ATOM 530 N LYS A 45 -0.407 -3.795 9.964 1.00 0.00 N ATOM 531 CA LYS A 45 -0.639 -4.200 11.315 1.00 0.00 C ATOM 532 C LYS A 45 -1.910 -3.590 11.797 1.00 0.00 C ATOM 533 O LYS A 45 -2.823 -4.263 12.273 1.00 0.00 O ATOM 534 CB LYS A 45 0.487 -3.741 12.256 1.00 0.00 C ATOM 535 CG LYS A 45 0.455 -4.409 13.632 1.00 0.00 C ATOM 536 CD LYS A 45 1.047 -5.819 13.599 1.00 0.00 C ATOM 537 CE LYS A 45 0.992 -6.590 14.920 1.00 0.00 C ATOM 538 NZ LYS A 45 -0.396 -6.999 15.227 1.00 0.00 N ATOM 0 H LYS A 45 0.128 -2.931 9.878 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.685 -5.289 11.326 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.448 -3.948 11.785 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.421 -2.661 12.386 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.011 -3.799 14.344 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.574 -4.456 13.988 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.521 -6.397 12.839 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.088 -5.750 13.283 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.631 -7.471 14.860 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.380 -5.968 15.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.413 -7.521 16.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.998 -6.154 15.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.754 -7.610 14.466 1.00 0.00 H new ATOM 552 N ALA A 46 -2.004 -2.255 11.662 1.00 0.00 N ATOM 553 CA ALA A 46 -3.112 -1.482 12.131 1.00 0.00 C ATOM 554 C ALA A 46 -3.426 -0.412 11.142 1.00 0.00 C ATOM 555 O ALA A 46 -2.535 0.255 10.620 1.00 0.00 O ATOM 556 CB ALA A 46 -2.771 -0.870 13.499 1.00 0.00 C ATOM 0 H ALA A 46 -1.282 -1.694 11.210 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.987 -2.123 12.244 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.616 -0.281 13.855 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.558 -1.667 14.211 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.896 -0.227 13.402 1.00 0.00 H new ATOM 562 N ILE A 47 -4.728 -0.231 10.855 1.00 0.00 N ATOM 563 CA ILE A 47 -5.263 0.925 10.207 1.00 0.00 C ATOM 564 C ILE A 47 -5.623 1.860 11.309 1.00 0.00 C ATOM 565 O ILE A 47 -6.304 1.461 12.254 1.00 0.00 O ATOM 566 CB ILE A 47 -6.493 0.646 9.395 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.245 -0.473 8.369 1.00 0.00 C ATOM 568 CG2 ILE A 47 -6.996 1.912 8.682 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.099 -0.176 7.404 1.00 0.00 C ATOM 0 H ILE A 47 -5.440 -0.924 11.086 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.526 1.319 9.508 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.264 0.314 10.090 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.030 -1.400 8.900 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.158 -0.638 7.796 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.888 1.673 8.103 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.237 2.675 9.422 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.220 2.286 8.015 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.983 -1.009 6.710 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.320 0.734 6.846 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.175 -0.041 7.967 1.00 0.00 H new ATOM 581 N ILE A 48 -5.165 3.122 11.238 1.00 0.00 N ATOM 582 CA ILE A 48 -5.453 4.089 12.252 1.00 0.00 C ATOM 583 C ILE A 48 -6.848 4.604 12.144 1.00 0.00 C ATOM 584 O ILE A 48 -7.428 4.526 11.062 1.00 0.00 O ATOM 585 CB ILE A 48 -4.495 5.243 12.261 1.00 0.00 C ATOM 586 CG1 ILE A 48 -4.521 6.081 10.971 1.00 0.00 C ATOM 587 CG2 ILE A 48 -3.117 4.686 12.655 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.343 7.049 10.871 1.00 0.00 C ATOM 0 H ILE A 48 -4.591 3.475 10.472 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.337 3.555 13.195 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.798 5.983 13.002 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.511 5.414 10.109 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.453 6.644 10.928 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.389 5.497 12.673 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.178 4.230 13.643 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.806 3.936 11.928 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.414 7.613 9.941 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.365 7.737 11.716 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.409 6.488 10.885 1.00 0.00 H new ATOM 643 N ALA A 52 -6.206 8.649 5.418 1.00 0.00 N ATOM 644 CA ALA A 52 -6.406 8.507 4.009 1.00 0.00 C ATOM 645 C ALA A 52 -6.660 7.103 3.578 1.00 0.00 C ATOM 646 O ALA A 52 -7.523 6.835 2.744 1.00 0.00 O ATOM 647 CB ALA A 52 -5.136 9.056 3.339 1.00 0.00 C ATOM 0 HA ALA A 52 -7.302 9.054 3.716 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.231 8.973 2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.004 10.103 3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.272 8.482 3.672 1.00 0.00 H new ATOM 653 N ALA A 53 -5.932 6.137 4.165 1.00 0.00 N ATOM 654 CA ALA A 53 -6.025 4.737 3.887 1.00 0.00 C ATOM 655 C ALA A 53 -7.315 4.116 4.300 1.00 0.00 C ATOM 656 O ALA A 53 -7.909 3.342 3.550 1.00 0.00 O ATOM 657 CB ALA A 53 -4.842 4.025 4.564 1.00 0.00 C ATOM 0 H ALA A 53 -5.234 6.347 4.879 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.988 4.619 2.804 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.897 2.955 4.362 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.906 4.421 4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.883 4.194 5.640 1.00 0.00 H new ATOM 663 N GLU A 54 -7.848 4.480 5.480 1.00 0.00 N ATOM 664 CA GLU A 54 -9.165 4.103 5.892 1.00 0.00 C ATOM 665 C GLU A 54 -10.195 4.619 4.947 1.00 0.00 C ATOM 666 O GLU A 54 -11.167 3.948 4.604 1.00 0.00 O ATOM 667 CB GLU A 54 -9.513 4.602 7.305 1.00 0.00 C ATOM 668 CG GLU A 54 -10.844 4.024 7.788 1.00 0.00 C ATOM 669 CD GLU A 54 -11.396 4.640 9.066 1.00 0.00 C ATOM 670 OE1 GLU A 54 -10.780 4.477 10.154 1.00 0.00 O ATOM 671 OE2 GLU A 54 -12.487 5.264 8.984 1.00 0.00 O ATOM 0 H GLU A 54 -7.352 5.050 6.165 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.169 3.013 5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.720 4.321 7.998 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.566 5.691 7.306 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.583 4.147 6.996 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.720 2.952 7.945 1.00 0.00 H new ATOM 678 N SER A 55 -9.983 5.847 4.441 1.00 0.00 N ATOM 679 CA SER A 55 -10.880 6.498 3.537 1.00 0.00 C ATOM 680 C SER A 55 -10.931 5.931 2.160 1.00 0.00 C ATOM 681 O SER A 55 -11.695 6.401 1.319 1.00 0.00 O ATOM 682 CB SER A 55 -10.580 8.006 3.473 1.00 0.00 C ATOM 683 OG SER A 55 -11.605 8.780 2.867 1.00 0.00 O ATOM 0 H SER A 55 -9.160 6.405 4.668 1.00 0.00 H new ATOM 0 HA SER A 55 -11.870 6.317 3.956 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.413 8.375 4.485 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.652 8.157 2.921 1.00 0.00 H new ATOM 0 HG SER A 55 -11.996 8.279 2.121 1.00 0.00 H new ATOM 689 N ASP A 56 -10.179 4.869 1.822 1.00 0.00 N ATOM 690 CA ASP A 56 -10.543 4.015 0.734 1.00 0.00 C ATOM 691 C ASP A 56 -11.705 3.185 1.162 1.00 0.00 C ATOM 692 O ASP A 56 -12.844 3.422 0.762 1.00 0.00 O ATOM 693 CB ASP A 56 -9.353 3.146 0.292 1.00 0.00 C ATOM 694 CG ASP A 56 -9.799 2.217 -0.829 1.00 0.00 C ATOM 695 OD1 ASP A 56 -10.154 2.748 -1.915 1.00 0.00 O ATOM 696 OD2 ASP A 56 -9.914 0.991 -0.564 1.00 0.00 O ATOM 0 H ASP A 56 -9.319 4.601 2.301 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.826 4.613 -0.132 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.533 3.778 -0.048 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.979 2.565 1.135 1.00 0.00 H new ATOM 701 N GLY A 57 -11.454 2.183 2.021 1.00 0.00 N ATOM 702 CA GLY A 57 -12.493 1.479 2.708 1.00 0.00 C ATOM 703 C GLY A 57 -12.286 0.003 2.648 1.00 0.00 C ATOM 704 O GLY A 57 -12.737 -0.733 3.523 1.00 0.00 O ATOM 0 H GLY A 57 -10.514 1.855 2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.525 1.801 3.749 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.457 1.730 2.267 1.00 0.00 H new ATOM 708 N ARG A 58 -11.586 -0.482 1.607 1.00 0.00 N ATOM 709 CA ARG A 58 -11.358 -1.880 1.415 1.00 0.00 C ATOM 710 C ARG A 58 -10.240 -2.388 2.259 1.00 0.00 C ATOM 711 O ARG A 58 -10.202 -3.571 2.596 1.00 0.00 O ATOM 712 CB ARG A 58 -11.100 -2.162 -0.074 1.00 0.00 C ATOM 713 CG ARG A 58 -12.290 -1.816 -0.971 1.00 0.00 C ATOM 714 CD ARG A 58 -12.022 -2.117 -2.446 1.00 0.00 C ATOM 715 NE ARG A 58 -13.194 -1.604 -3.211 1.00 0.00 N ATOM 716 CZ ARG A 58 -14.339 -2.306 -3.458 1.00 0.00 C ATOM 717 NH1 ARG A 58 -14.524 -3.601 -3.070 1.00 0.00 N ATOM 718 NH2 ARG A 58 -15.366 -1.681 -4.103 1.00 0.00 N ATOM 0 H ARG A 58 -11.171 0.108 0.886 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.253 -2.415 1.731 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.231 -1.591 -0.399 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.854 -3.216 -0.200 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -13.164 -2.379 -0.642 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.530 -0.759 -0.858 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.103 -1.635 -2.778 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.895 -3.188 -2.605 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.136 -0.654 -3.579 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.785 -4.094 -2.568 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.401 -4.076 -3.282 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.270 -0.707 -4.391 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -16.230 -2.188 -4.297 1.00 0.00 H new ATOM 732 N ILE A 59 -9.292 -1.523 2.663 1.00 0.00 N ATOM 733 CA ILE A 59 -8.210 -1.843 3.542 1.00 0.00 C ATOM 734 C ILE A 59 -8.659 -2.030 4.950 1.00 0.00 C ATOM 735 O ILE A 59 -9.393 -1.212 5.503 1.00 0.00 O ATOM 736 CB ILE A 59 -7.153 -0.778 3.556 1.00 0.00 C ATOM 737 CG1 ILE A 59 -6.910 -0.161 2.169 1.00 0.00 C ATOM 738 CG2 ILE A 59 -5.864 -1.416 4.101 1.00 0.00 C ATOM 739 CD1 ILE A 59 -5.841 0.931 2.188 1.00 0.00 C ATOM 0 H ILE A 59 -9.280 -0.549 2.360 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.802 -2.775 3.150 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.485 0.044 4.190 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.610 -0.946 1.474 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.844 0.257 1.793 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.071 -0.669 4.126 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.041 -1.790 5.109 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.565 -2.241 3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.711 1.331 1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.151 1.732 2.860 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.897 0.510 2.536 1.00 0.00 H new ATOM 751 N HIS A 60 -8.214 -3.116 5.607 1.00 0.00 N ATOM 752 CA HIS A 60 -8.466 -3.334 6.998 1.00 0.00 C ATOM 753 C HIS A 60 -7.236 -3.860 7.653 1.00 0.00 C ATOM 754 O HIS A 60 -6.175 -3.966 7.041 1.00 0.00 O ATOM 755 CB HIS A 60 -9.697 -4.242 7.160 1.00 0.00 C ATOM 756 CG HIS A 60 -10.107 -4.617 8.552 1.00 0.00 C ATOM 757 ND1 HIS A 60 -10.233 -3.650 9.529 1.00 0.00 N ATOM 758 CD2 HIS A 60 -10.371 -5.846 9.070 1.00 0.00 C ATOM 759 CE1 HIS A 60 -10.568 -4.302 10.627 1.00 0.00 C ATOM 760 NE2 HIS A 60 -10.673 -5.639 10.401 1.00 0.00 N ATOM 0 H HIS A 60 -7.669 -3.856 5.164 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.705 -2.398 7.504 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.543 -3.748 6.683 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.511 -5.162 6.606 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.349 -6.791 8.547 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.737 -3.832 11.585 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -10.926 -6.352 11.084 1.00 0.00 H new ATOM 768 N LYS A 61 -7.302 -4.154 8.964 1.00 0.00 N ATOM 769 CA LYS A 61 -6.175 -4.434 9.798 1.00 0.00 C ATOM 770 C LYS A 61 -5.648 -5.817 9.626 1.00 0.00 C ATOM 771 O LYS A 61 -5.758 -6.674 10.501 1.00 0.00 O ATOM 772 CB LYS A 61 -6.473 -4.132 11.275 1.00 0.00 C ATOM 773 CG LYS A 61 -7.240 -2.832 11.529 1.00 0.00 C ATOM 774 CD LYS A 61 -7.156 -2.348 12.978 1.00 0.00 C ATOM 775 CE LYS A 61 -8.290 -1.442 13.460 1.00 0.00 C ATOM 776 NZ LYS A 61 -8.445 -0.211 12.652 1.00 0.00 N ATOM 0 H LYS A 61 -8.188 -4.199 9.468 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.384 -3.760 9.468 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.046 -4.961 11.691 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.529 -4.091 11.819 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.850 -2.055 10.871 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.287 -2.979 11.263 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.117 -3.222 13.628 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.214 -1.814 13.106 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.225 -2.001 13.439 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.107 -1.165 14.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.172 0.397 13.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.540 0.300 12.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.732 -0.464 11.685 1.00 0.00 H new ATOM 790 N GLY A 62 -5.047 -6.088 8.453 1.00 0.00 N ATOM 791 CA GLY A 62 -4.468 -7.356 8.132 1.00 0.00 C ATOM 792 C GLY A 62 -4.205 -7.610 6.688 1.00 0.00 C ATOM 793 O GLY A 62 -3.769 -8.707 6.343 1.00 0.00 O ATOM 0 H GLY A 62 -4.961 -5.402 7.703 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.527 -7.450 8.674 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.129 -8.139 8.503 1.00 0.00 H new ATOM 797 N ASP A 63 -4.447 -6.650 5.777 1.00 0.00 N ATOM 798 CA ASP A 63 -4.200 -6.816 4.379 1.00 0.00 C ATOM 799 C ASP A 63 -2.775 -6.628 3.989 1.00 0.00 C ATOM 800 O ASP A 63 -1.924 -6.219 4.779 1.00 0.00 O ATOM 801 CB ASP A 63 -5.075 -5.849 3.563 1.00 0.00 C ATOM 802 CG ASP A 63 -6.533 -6.248 3.738 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.921 -7.350 3.265 1.00 0.00 O ATOM 804 OD2 ASP A 63 -7.305 -5.499 4.394 1.00 0.00 O ATOM 0 H ASP A 63 -4.825 -5.734 6.020 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.456 -7.852 4.158 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.920 -4.824 3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.797 -5.884 2.510 1.00 0.00 H new ATOM 809 N ARG A 64 -2.451 -6.938 2.721 1.00 0.00 N ATOM 810 CA ARG A 64 -1.130 -6.871 2.175 1.00 0.00 C ATOM 811 C ARG A 64 -1.028 -5.723 1.231 1.00 0.00 C ATOM 812 O ARG A 64 -1.936 -5.452 0.447 1.00 0.00 O ATOM 813 CB ARG A 64 -0.840 -8.200 1.458 1.00 0.00 C ATOM 814 CG ARG A 64 0.523 -8.322 0.772 1.00 0.00 C ATOM 815 CD ARG A 64 0.689 -9.667 0.060 1.00 0.00 C ATOM 816 NE ARG A 64 2.110 -9.776 -0.375 1.00 0.00 N ATOM 817 CZ ARG A 64 2.530 -9.916 -1.666 1.00 0.00 C ATOM 818 NH1 ARG A 64 1.675 -9.947 -2.731 1.00 0.00 N ATOM 819 NH2 ARG A 64 3.869 -10.036 -1.906 1.00 0.00 N ATOM 0 H ARG A 64 -3.145 -7.251 2.042 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.396 -6.716 2.966 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.929 -9.007 2.185 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.615 -8.359 0.708 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.639 -7.513 0.051 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.314 -8.204 1.513 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.429 -10.488 0.728 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.020 -9.731 -0.798 1.00 0.00 H new ATOM 0 HE ARG A 64 2.826 -9.743 0.350 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.670 -9.863 -2.580 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.042 -10.054 -3.677 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.530 -10.020 -1.129 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.208 -10.142 -2.862 1.00 0.00 H new ATOM 833 N VAL A 65 0.096 -4.985 1.264 1.00 0.00 N ATOM 834 CA VAL A 65 0.458 -3.950 0.347 1.00 0.00 C ATOM 835 C VAL A 65 1.587 -4.456 -0.483 1.00 0.00 C ATOM 836 O VAL A 65 2.670 -4.732 0.030 1.00 0.00 O ATOM 837 CB VAL A 65 0.859 -2.649 0.978 1.00 0.00 C ATOM 838 CG1 VAL A 65 0.174 -1.501 0.218 1.00 0.00 C ATOM 839 CG2 VAL A 65 0.513 -2.606 2.476 1.00 0.00 C ATOM 0 H VAL A 65 0.803 -5.123 1.986 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.434 -3.723 -0.237 1.00 0.00 H new ATOM 0 HB VAL A 65 1.942 -2.542 0.910 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.457 -0.548 0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.487 -1.518 -0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.908 -1.622 0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.820 -1.647 2.893 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.562 -2.730 2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.035 -3.411 2.993 1.00 0.00 H new ATOM 849 N LEU A 66 1.409 -4.630 -1.805 1.00 0.00 N ATOM 850 CA LEU A 66 2.448 -5.120 -2.656 1.00 0.00 C ATOM 851 C LEU A 66 3.162 -4.051 -3.413 1.00 0.00 C ATOM 852 O LEU A 66 4.362 -4.186 -3.641 1.00 0.00 O ATOM 853 CB LEU A 66 1.992 -6.241 -3.604 1.00 0.00 C ATOM 854 CG LEU A 66 0.724 -5.984 -4.436 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.809 -6.744 -5.770 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.512 -6.458 -3.652 1.00 0.00 C ATOM 0 H LEU A 66 0.534 -4.428 -2.289 1.00 0.00 H new ATOM 0 HA LEU A 66 3.165 -5.555 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.810 -6.456 -4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.830 -7.141 -3.010 1.00 0.00 H new ATOM 0 HG LEU A 66 0.640 -4.916 -4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.093 -6.557 -6.353 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.680 -6.402 -6.329 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.900 -7.813 -5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.410 -6.275 -4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.425 -7.525 -3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.579 -5.910 -2.712 1.00 0.00 H new ATOM 868 N ALA A 67 2.487 -2.967 -3.835 1.00 0.00 N ATOM 869 CA ALA A 67 3.156 -1.976 -4.620 1.00 0.00 C ATOM 870 C ALA A 67 2.676 -0.588 -4.368 1.00 0.00 C ATOM 871 O ALA A 67 1.537 -0.364 -3.961 1.00 0.00 O ATOM 872 CB ALA A 67 3.038 -2.292 -6.120 1.00 0.00 C ATOM 0 H ALA A 67 1.504 -2.778 -3.640 1.00 0.00 H new ATOM 0 HA ALA A 67 4.200 -2.016 -4.310 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.555 -1.524 -6.695 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.489 -3.263 -6.324 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.986 -2.313 -6.406 1.00 0.00 H new ATOM 878 N VAL A 68 3.556 0.407 -4.588 1.00 0.00 N ATOM 879 CA VAL A 68 3.261 1.786 -4.352 1.00 0.00 C ATOM 880 C VAL A 68 3.740 2.638 -5.477 1.00 0.00 C ATOM 881 O VAL A 68 4.931 2.617 -5.789 1.00 0.00 O ATOM 882 CB VAL A 68 3.914 2.316 -3.110 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.716 3.834 -2.957 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.358 1.567 -1.887 1.00 0.00 C ATOM 0 H VAL A 68 4.500 0.247 -4.940 1.00 0.00 H new ATOM 0 HA VAL A 68 2.177 1.830 -4.249 1.00 0.00 H new ATOM 0 HB VAL A 68 4.988 2.146 -3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.205 4.175 -2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.152 4.346 -3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.651 4.058 -2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.830 1.949 -0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.280 1.719 -1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.570 0.502 -1.985 1.00 0.00 H new ATOM 894 N ASN A 69 2.856 3.418 -6.123 1.00 0.00 N ATOM 895 CA ASN A 69 3.191 4.284 -7.211 1.00 0.00 C ATOM 896 C ASN A 69 3.789 3.570 -8.373 1.00 0.00 C ATOM 897 O ASN A 69 4.586 4.118 -9.134 1.00 0.00 O ATOM 898 CB ASN A 69 4.053 5.442 -6.679 1.00 0.00 C ATOM 899 CG ASN A 69 4.001 6.683 -7.560 1.00 0.00 C ATOM 900 OD1 ASN A 69 3.097 6.908 -8.363 1.00 0.00 O ATOM 901 ND2 ASN A 69 5.021 7.559 -7.358 1.00 0.00 N ATOM 0 H ASN A 69 1.866 3.447 -5.877 1.00 0.00 H new ATOM 0 HA ASN A 69 2.273 4.703 -7.623 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.719 5.703 -5.675 1.00 0.00 H new ATOM 0 HB3 ASN A 69 5.087 5.108 -6.594 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.052 8.434 -7.880 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.755 7.341 -6.684 1.00 0.00 H new ATOM 908 N GLY A 70 3.426 2.285 -8.537 1.00 0.00 N ATOM 909 CA GLY A 70 3.925 1.398 -9.541 1.00 0.00 C ATOM 910 C GLY A 70 5.189 0.705 -9.164 1.00 0.00 C ATOM 911 O GLY A 70 5.937 0.269 -10.037 1.00 0.00 O ATOM 0 H GLY A 70 2.740 1.838 -7.929 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.164 0.649 -9.761 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.092 1.962 -10.459 1.00 0.00 H new ATOM 915 N VAL A 71 5.486 0.565 -7.860 1.00 0.00 N ATOM 916 CA VAL A 71 6.722 0.028 -7.381 1.00 0.00 C ATOM 917 C VAL A 71 6.466 -1.118 -6.463 1.00 0.00 C ATOM 918 O VAL A 71 6.197 -0.941 -5.277 1.00 0.00 O ATOM 919 CB VAL A 71 7.591 1.021 -6.667 1.00 0.00 C ATOM 920 CG1 VAL A 71 8.980 0.416 -6.403 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.744 2.290 -7.522 1.00 0.00 C ATOM 0 H VAL A 71 4.845 0.834 -7.114 1.00 0.00 H new ATOM 0 HA VAL A 71 7.261 -0.289 -8.274 1.00 0.00 H new ATOM 0 HB VAL A 71 7.123 1.275 -5.716 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.602 1.146 -5.884 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.877 -0.477 -5.786 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.447 0.150 -7.351 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.376 3.007 -6.999 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.202 2.032 -8.477 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.763 2.731 -7.697 1.00 0.00 H new ATOM 931 N SER A 72 6.523 -2.361 -6.974 1.00 0.00 N ATOM 932 CA SER A 72 6.405 -3.553 -6.192 1.00 0.00 C ATOM 933 C SER A 72 7.522 -3.826 -5.245 1.00 0.00 C ATOM 934 O SER A 72 8.693 -3.556 -5.510 1.00 0.00 O ATOM 935 CB SER A 72 6.109 -4.813 -7.023 1.00 0.00 C ATOM 936 OG SER A 72 7.115 -5.098 -7.982 1.00 0.00 O ATOM 0 H SER A 72 6.656 -2.543 -7.969 1.00 0.00 H new ATOM 0 HA SER A 72 5.534 -3.323 -5.578 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.003 -5.666 -6.353 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.154 -4.688 -7.534 1.00 0.00 H new ATOM 0 HG SER A 72 7.528 -5.963 -7.776 1.00 0.00 H new ATOM 942 N LEU A 73 7.188 -4.359 -4.056 1.00 0.00 N ATOM 943 CA LEU A 73 8.088 -4.534 -2.959 1.00 0.00 C ATOM 944 C LEU A 73 8.874 -5.800 -2.999 1.00 0.00 C ATOM 945 O LEU A 73 8.741 -6.667 -2.137 1.00 0.00 O ATOM 946 CB LEU A 73 7.316 -4.469 -1.631 1.00 0.00 C ATOM 947 CG LEU A 73 6.725 -3.081 -1.327 1.00 0.00 C ATOM 948 CD1 LEU A 73 5.618 -3.149 -0.261 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.800 -2.087 -0.856 1.00 0.00 C ATOM 0 H LEU A 73 6.243 -4.684 -3.850 1.00 0.00 H new ATOM 0 HA LEU A 73 8.807 -3.719 -3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.509 -5.201 -1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.983 -4.756 -0.818 1.00 0.00 H new ATOM 0 HG LEU A 73 6.299 -2.729 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.228 -2.148 -0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.812 -3.793 -0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.028 -3.555 0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.338 -1.121 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.270 -2.463 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.555 -1.972 -1.634 1.00 0.00 H new ATOM 961 N GLU A 74 9.800 -5.920 -3.966 1.00 0.00 N ATOM 962 CA GLU A 74 10.854 -6.886 -3.927 1.00 0.00 C ATOM 963 C GLU A 74 11.912 -6.421 -2.986 1.00 0.00 C ATOM 964 O GLU A 74 12.394 -5.293 -3.070 1.00 0.00 O ATOM 965 CB GLU A 74 11.532 -7.125 -5.285 1.00 0.00 C ATOM 966 CG GLU A 74 10.686 -7.857 -6.329 1.00 0.00 C ATOM 967 CD GLU A 74 9.728 -6.948 -7.085 1.00 0.00 C ATOM 968 OE1 GLU A 74 10.216 -6.061 -7.835 1.00 0.00 O ATOM 969 OE2 GLU A 74 8.487 -7.139 -6.969 1.00 0.00 O ATOM 0 H GLU A 74 9.817 -5.330 -4.798 1.00 0.00 H new ATOM 0 HA GLU A 74 10.389 -7.820 -3.613 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.830 -6.161 -5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.445 -7.696 -5.119 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.349 -8.346 -7.043 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.114 -8.642 -5.835 1.00 0.00 H new ATOM 976 N GLY A 75 12.319 -7.269 -2.024 1.00 0.00 N ATOM 977 CA GLY A 75 13.393 -6.991 -1.121 1.00 0.00 C ATOM 978 C GLY A 75 13.119 -6.076 0.022 1.00 0.00 C ATOM 979 O GLY A 75 14.012 -5.843 0.835 1.00 0.00 O ATOM 0 H GLY A 75 11.886 -8.179 -1.870 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.743 -7.940 -0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.216 -6.569 -1.698 1.00 0.00 H new ATOM 983 N ALA A 76 11.910 -5.501 0.160 1.00 0.00 N ATOM 984 CA ALA A 76 11.646 -4.516 1.162 1.00 0.00 C ATOM 985 C ALA A 76 11.263 -5.094 2.479 1.00 0.00 C ATOM 986 O ALA A 76 10.473 -6.030 2.590 1.00 0.00 O ATOM 987 CB ALA A 76 10.618 -3.483 0.670 1.00 0.00 C ATOM 0 H ALA A 76 11.108 -5.722 -0.430 1.00 0.00 H new ATOM 0 HA ALA A 76 12.590 -3.999 1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.438 -2.747 1.454 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.003 -2.981 -0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.684 -3.988 0.425 1.00 0.00 H new ATOM 993 N THR A 77 11.840 -4.541 3.562 1.00 0.00 N ATOM 994 CA THR A 77 11.644 -4.869 4.941 1.00 0.00 C ATOM 995 C THR A 77 10.897 -3.725 5.537 1.00 0.00 C ATOM 996 O THR A 77 10.445 -2.846 4.806 1.00 0.00 O ATOM 997 CB THR A 77 12.945 -5.137 5.637 1.00 0.00 C ATOM 998 OG1 THR A 77 12.854 -5.342 7.039 1.00 0.00 O ATOM 999 CG2 THR A 77 13.987 -4.038 5.369 1.00 0.00 C ATOM 0 H THR A 77 12.515 -3.784 3.457 1.00 0.00 H new ATOM 0 HA THR A 77 11.076 -5.792 5.054 1.00 0.00 H new ATOM 0 HB THR A 77 13.265 -6.081 5.197 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.748 -5.510 7.404 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.912 -4.277 5.894 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.183 -3.976 4.299 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.605 -3.081 5.724 1.00 0.00 H new ATOM 1007 N HIS A 78 10.742 -3.639 6.870 1.00 0.00 N ATOM 1008 CA HIS A 78 10.097 -2.588 7.594 1.00 0.00 C ATOM 1009 C HIS A 78 10.529 -1.210 7.227 1.00 0.00 C ATOM 1010 O HIS A 78 9.710 -0.395 6.807 1.00 0.00 O ATOM 1011 CB HIS A 78 10.295 -2.761 9.109 1.00 0.00 C ATOM 1012 CG HIS A 78 9.967 -1.577 9.970 1.00 0.00 C ATOM 1013 ND1 HIS A 78 10.733 -1.247 11.057 1.00 0.00 N ATOM 1014 CD2 HIS A 78 9.043 -0.587 9.836 1.00 0.00 C ATOM 1015 CE1 HIS A 78 10.310 -0.100 11.555 1.00 0.00 C ATOM 1016 NE2 HIS A 78 9.279 0.314 10.841 1.00 0.00 N ATOM 0 H HIS A 78 11.098 -4.366 7.491 1.00 0.00 H new ATOM 0 HA HIS A 78 9.048 -2.681 7.313 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.684 -3.601 9.438 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.335 -3.034 9.287 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.508 -1.800 11.423 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.272 -0.524 9.082 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.736 0.414 12.404 1.00 0.00 H new ATOM 1025 N LYS A 79 11.829 -0.895 7.364 1.00 0.00 N ATOM 1026 CA LYS A 79 12.341 0.431 7.208 1.00 0.00 C ATOM 1027 C LYS A 79 12.332 0.844 5.776 1.00 0.00 C ATOM 1028 O LYS A 79 11.930 1.942 5.395 1.00 0.00 O ATOM 1029 CB LYS A 79 13.755 0.474 7.811 1.00 0.00 C ATOM 1030 CG LYS A 79 14.492 1.815 7.822 1.00 0.00 C ATOM 1031 CD LYS A 79 15.318 2.098 6.566 1.00 0.00 C ATOM 1032 CE LYS A 79 16.429 3.120 6.815 1.00 0.00 C ATOM 1033 NZ LYS A 79 17.176 3.391 5.566 1.00 0.00 N ATOM 0 H LYS A 79 12.546 -1.584 7.590 1.00 0.00 H new ATOM 0 HA LYS A 79 11.705 1.143 7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.690 0.121 8.840 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.372 -0.241 7.267 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.762 2.615 7.949 1.00 0.00 H new ATOM 0 HG3 LYS A 79 15.152 1.845 8.689 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.758 1.168 6.207 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.661 2.465 5.778 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.000 4.046 7.197 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.110 2.746 7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.164 3.622 5.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.150 2.549 4.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.740 4.193 5.068 1.00 0.00 H new ATOM 1047 N GLN A 80 12.731 -0.094 4.899 1.00 0.00 N ATOM 1048 CA GLN A 80 12.694 0.019 3.474 1.00 0.00 C ATOM 1049 C GLN A 80 11.330 0.256 2.924 1.00 0.00 C ATOM 1050 O GLN A 80 11.138 1.177 2.131 1.00 0.00 O ATOM 1051 CB GLN A 80 13.329 -1.269 2.923 1.00 0.00 C ATOM 1052 CG GLN A 80 14.091 -1.053 1.613 1.00 0.00 C ATOM 1053 CD GLN A 80 14.848 -2.316 1.228 1.00 0.00 C ATOM 1054 OE1 GLN A 80 14.976 -3.263 2.004 1.00 0.00 O ATOM 1055 NE2 GLN A 80 15.368 -2.338 -0.028 1.00 0.00 N ATOM 0 H GLN A 80 13.105 -0.992 5.207 1.00 0.00 H new ATOM 0 HA GLN A 80 13.250 0.902 3.160 1.00 0.00 H new ATOM 0 HB2 GLN A 80 14.010 -1.678 3.669 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.548 -2.012 2.763 1.00 0.00 H new ATOM 0 HG2 GLN A 80 13.394 -0.782 0.820 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.788 -0.222 1.723 1.00 0.00 H new ATOM 0 HE21 GLN A 80 15.243 -1.536 -0.646 1.00 0.00 H new ATOM 0 HE22 GLN A 80 15.883 -3.157 -0.353 1.00 0.00 H new ATOM 1064 N ALA A 81 10.309 -0.505 3.355 1.00 0.00 N ATOM 1065 CA ALA A 81 8.946 -0.315 2.965 1.00 0.00 C ATOM 1066 C ALA A 81 8.379 1.011 3.342 1.00 0.00 C ATOM 1067 O ALA A 81 7.619 1.602 2.578 1.00 0.00 O ATOM 1068 CB ALA A 81 8.053 -1.402 3.588 1.00 0.00 C ATOM 0 H ALA A 81 10.438 -1.284 4.001 1.00 0.00 H new ATOM 0 HA ALA A 81 8.955 -0.374 1.877 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.019 -1.243 3.282 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.385 -2.384 3.250 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.121 -1.350 4.675 1.00 0.00 H new ATOM 1074 N VAL A 82 8.752 1.558 4.513 1.00 0.00 N ATOM 1075 CA VAL A 82 8.403 2.885 4.912 1.00 0.00 C ATOM 1076 C VAL A 82 8.888 3.890 3.925 1.00 0.00 C ATOM 1077 O VAL A 82 8.087 4.682 3.432 1.00 0.00 O ATOM 1078 CB VAL A 82 8.889 3.272 6.278 1.00 0.00 C ATOM 1079 CG1 VAL A 82 8.712 4.769 6.582 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.107 2.460 7.324 1.00 0.00 C ATOM 0 H VAL A 82 9.314 1.061 5.204 1.00 0.00 H new ATOM 0 HA VAL A 82 7.314 2.880 4.950 1.00 0.00 H new ATOM 0 HB VAL A 82 9.958 3.060 6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.083 4.983 7.584 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.272 5.357 5.855 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.655 5.030 6.523 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.448 2.730 8.323 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.043 2.678 7.233 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.275 1.396 7.158 1.00 0.00 H new ATOM 1090 N GLU A 83 10.177 3.882 3.540 1.00 0.00 N ATOM 1091 CA GLU A 83 10.700 4.767 2.547 1.00 0.00 C ATOM 1092 C GLU A 83 10.012 4.699 1.226 1.00 0.00 C ATOM 1093 O GLU A 83 9.809 5.715 0.565 1.00 0.00 O ATOM 1094 CB GLU A 83 12.210 4.576 2.322 1.00 0.00 C ATOM 1095 CG GLU A 83 13.077 4.832 3.557 1.00 0.00 C ATOM 1096 CD GLU A 83 14.561 4.900 3.224 1.00 0.00 C ATOM 1097 OE1 GLU A 83 14.921 5.069 2.028 1.00 0.00 O ATOM 1098 OE2 GLU A 83 15.399 4.825 4.162 1.00 0.00 O ATOM 0 H GLU A 83 10.872 3.245 3.929 1.00 0.00 H new ATOM 0 HA GLU A 83 10.507 5.753 2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.386 3.558 1.976 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.532 5.244 1.524 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.770 5.767 4.025 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.908 4.040 4.286 1.00 0.00 H new ATOM 1105 N THR A 84 9.589 3.495 0.801 1.00 0.00 N ATOM 1106 CA THR A 84 8.861 3.246 -0.405 1.00 0.00 C ATOM 1107 C THR A 84 7.466 3.768 -0.398 1.00 0.00 C ATOM 1108 O THR A 84 6.927 4.107 -1.450 1.00 0.00 O ATOM 1109 CB THR A 84 8.905 1.782 -0.734 1.00 0.00 C ATOM 1110 OG1 THR A 84 10.241 1.305 -0.756 1.00 0.00 O ATOM 1111 CG2 THR A 84 8.333 1.398 -2.108 1.00 0.00 C ATOM 0 H THR A 84 9.767 2.643 1.333 1.00 0.00 H new ATOM 0 HA THR A 84 9.360 3.811 -1.193 1.00 0.00 H new ATOM 0 HB THR A 84 8.291 1.340 0.051 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.582 1.246 0.161 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.412 0.320 -2.247 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.286 1.695 -2.162 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.895 1.907 -2.891 1.00 0.00 H new ATOM 1119 N LEU A 85 6.823 3.960 0.769 1.00 0.00 N ATOM 1120 CA LEU A 85 5.558 4.611 0.911 1.00 0.00 C ATOM 1121 C LEU A 85 5.709 6.079 1.116 1.00 0.00 C ATOM 1122 O LEU A 85 5.009 6.890 0.511 1.00 0.00 O ATOM 1123 CB LEU A 85 4.842 4.060 2.155 1.00 0.00 C ATOM 1124 CG LEU A 85 4.388 2.596 2.022 1.00 0.00 C ATOM 1125 CD1 LEU A 85 4.391 1.881 3.384 1.00 0.00 C ATOM 1126 CD2 LEU A 85 2.989 2.466 1.394 1.00 0.00 C ATOM 0 H LEU A 85 7.207 3.644 1.660 1.00 0.00 H new ATOM 0 HA LEU A 85 4.996 4.426 -0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.509 4.146 3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.971 4.681 2.365 1.00 0.00 H new ATOM 0 HG LEU A 85 5.110 2.122 1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.065 0.849 3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.399 1.894 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.711 2.393 4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.718 1.413 1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.261 2.987 2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.995 2.906 0.397 1.00 0.00 H new ATOM 1138 N ARG A 86 6.651 6.486 1.983 1.00 0.00 N ATOM 1139 CA ARG A 86 6.841 7.800 2.517 1.00 0.00 C ATOM 1140 C ARG A 86 7.516 8.779 1.620 1.00 0.00 C ATOM 1141 O ARG A 86 7.078 9.924 1.522 1.00 0.00 O ATOM 1142 CB ARG A 86 7.598 7.614 3.843 1.00 0.00 C ATOM 1143 CG ARG A 86 7.931 8.875 4.643 1.00 0.00 C ATOM 1144 CD ARG A 86 9.413 9.186 4.426 1.00 0.00 C ATOM 1145 NE ARG A 86 9.705 10.486 5.093 1.00 0.00 N ATOM 1146 CZ ARG A 86 10.802 11.235 4.784 1.00 0.00 C ATOM 1147 NH1 ARG A 86 11.836 10.720 4.056 1.00 0.00 N ATOM 1148 NH2 ARG A 86 10.862 12.534 5.199 1.00 0.00 N ATOM 0 H ARG A 86 7.346 5.832 2.344 1.00 0.00 H new ATOM 0 HA ARG A 86 5.862 8.260 2.653 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.006 6.957 4.480 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.532 7.094 3.628 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.313 9.711 4.315 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.723 8.722 5.702 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.035 8.394 4.843 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.640 9.243 3.361 1.00 0.00 H new ATOM 0 HE ARG A 86 9.061 10.828 5.806 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.799 9.754 3.730 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.645 11.301 3.838 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.092 12.935 5.734 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.677 13.104 4.974 1.00 0.00 H new ATOM 1162 N ASN A 87 8.603 8.401 0.923 1.00 0.00 N ATOM 1163 CA ASN A 87 9.472 9.296 0.226 1.00 0.00 C ATOM 1164 C ASN A 87 8.981 9.713 -1.118 1.00 0.00 C ATOM 1165 O ASN A 87 9.667 10.314 -1.944 1.00 0.00 O ATOM 1166 CB ASN A 87 10.865 8.651 0.136 1.00 0.00 C ATOM 1167 CG ASN A 87 11.966 9.646 -0.205 1.00 0.00 C ATOM 1168 OD1 ASN A 87 12.631 9.555 -1.236 1.00 0.00 O ATOM 1169 ND2 ASN A 87 12.182 10.630 0.708 1.00 0.00 N ATOM 0 H ASN A 87 8.888 7.425 0.842 1.00 0.00 H new ATOM 0 HA ASN A 87 9.510 10.223 0.798 1.00 0.00 H new ATOM 0 HB2 ASN A 87 11.099 8.172 1.087 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.847 7.866 -0.620 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.914 11.322 0.548 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.612 10.676 1.553 1.00 0.00 H new ATOM 1176 N THR A 88 7.689 9.420 -1.352 1.00 0.00 N ATOM 1177 CA THR A 88 6.900 9.661 -2.519 1.00 0.00 C ATOM 1178 C THR A 88 6.354 11.047 -2.497 1.00 0.00 C ATOM 1179 O THR A 88 6.629 11.823 -1.582 1.00 0.00 O ATOM 1180 CB THR A 88 5.800 8.641 -2.542 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.960 8.775 -1.404 1.00 0.00 O ATOM 1182 CG2 THR A 88 6.425 7.240 -2.432 1.00 0.00 C ATOM 0 H THR A 88 7.134 8.958 -0.632 1.00 0.00 H new ATOM 0 HA THR A 88 7.505 9.571 -3.421 1.00 0.00 H new ATOM 0 HB THR A 88 5.232 8.783 -3.462 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.227 8.124 -0.722 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.636 6.488 -2.447 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.100 7.076 -3.272 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.982 7.162 -1.498 1.00 0.00 H new ATOM 1190 N GLY A 89 5.523 11.432 -3.482 1.00 0.00 N ATOM 1191 CA GLY A 89 4.952 12.742 -3.547 1.00 0.00 C ATOM 1192 C GLY A 89 3.667 12.848 -2.802 1.00 0.00 C ATOM 1193 O GLY A 89 3.593 12.566 -1.608 1.00 0.00 O ATOM 0 H GLY A 89 5.242 10.821 -4.249 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.662 13.463 -3.143 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.785 13.009 -4.590 1.00 0.00 H new ATOM 1197 N GLN A 90 2.591 13.277 -3.487 1.00 0.00 N ATOM 1198 CA GLN A 90 1.295 13.405 -2.899 1.00 0.00 C ATOM 1199 C GLN A 90 0.470 12.190 -3.150 1.00 0.00 C ATOM 1200 O GLN A 90 0.078 11.514 -2.200 1.00 0.00 O ATOM 1201 CB GLN A 90 0.606 14.699 -3.363 1.00 0.00 C ATOM 1202 CG GLN A 90 -0.603 15.088 -2.510 1.00 0.00 C ATOM 1203 CD GLN A 90 -0.979 16.541 -2.762 1.00 0.00 C ATOM 1204 OE1 GLN A 90 -0.912 17.034 -3.887 1.00 0.00 O ATOM 1205 NE2 GLN A 90 -1.363 17.276 -1.685 1.00 0.00 N ATOM 0 H GLN A 90 2.624 13.541 -4.472 1.00 0.00 H new ATOM 0 HA GLN A 90 1.411 13.483 -1.818 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.330 15.513 -3.345 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.287 14.580 -4.398 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.447 14.440 -2.746 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.374 14.942 -1.454 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.410 16.843 -0.763 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.604 18.261 -1.799 1.00 0.00 H new ATOM 1214 N VAL A 91 0.201 11.836 -4.420 1.00 0.00 N ATOM 1215 CA VAL A 91 -0.506 10.637 -4.747 1.00 0.00 C ATOM 1216 C VAL A 91 0.352 9.427 -4.616 1.00 0.00 C ATOM 1217 O VAL A 91 1.371 9.252 -5.282 1.00 0.00 O ATOM 1218 CB VAL A 91 -1.171 10.609 -6.092 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.789 9.232 -6.387 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -2.267 11.688 -6.096 1.00 0.00 C ATOM 0 H VAL A 91 0.478 12.390 -5.231 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.307 10.628 -4.007 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.430 10.802 -6.867 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.262 9.248 -7.369 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.008 8.472 -6.373 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.536 8.998 -5.628 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.770 11.692 -7.063 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.992 11.473 -5.311 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.817 12.664 -5.917 1.00 0.00 H new ATOM 1230 N VAL A 92 -0.110 8.515 -3.741 1.00 0.00 N ATOM 1231 CA VAL A 92 0.378 7.180 -3.580 1.00 0.00 C ATOM 1232 C VAL A 92 -0.679 6.247 -4.062 1.00 0.00 C ATOM 1233 O VAL A 92 -1.749 6.093 -3.475 1.00 0.00 O ATOM 1234 CB VAL A 92 0.779 6.969 -2.150 1.00 0.00 C ATOM 1235 CG1 VAL A 92 0.672 5.507 -1.682 1.00 0.00 C ATOM 1236 CG2 VAL A 92 2.227 7.467 -2.009 1.00 0.00 C ATOM 0 H VAL A 92 -0.877 8.726 -3.103 1.00 0.00 H new ATOM 0 HA VAL A 92 1.274 6.990 -4.171 1.00 0.00 H new ATOM 0 HB VAL A 92 0.089 7.523 -1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.979 5.436 -0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.359 5.168 -1.781 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.320 4.881 -2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.560 7.331 -0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.874 6.899 -2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.275 8.524 -2.270 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.411 5.578 -5.198 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.200 4.486 -5.676 1.00 0.00 C ATOM 1248 C HIS A 93 -0.884 3.246 -4.912 1.00 0.00 C ATOM 1249 O HIS A 93 0.148 2.626 -5.164 1.00 0.00 O ATOM 1250 CB HIS A 93 -0.972 4.188 -7.167 1.00 0.00 C ATOM 1251 CG HIS A 93 -1.391 5.322 -8.055 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -0.566 6.410 -8.254 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -2.589 5.518 -8.667 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -1.280 7.259 -8.968 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -2.516 6.767 -9.249 1.00 0.00 N ATOM 0 H HIS A 93 0.379 5.804 -5.802 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.239 4.784 -5.536 1.00 0.00 H new ATOM 0 HB2 HIS A 93 0.084 3.973 -7.333 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.527 3.292 -7.443 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -3.426 4.836 -8.692 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.926 8.227 -9.290 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -3.248 7.232 -9.786 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.740 2.832 -3.961 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.542 1.691 -3.123 1.00 0.00 C ATOM 1265 C LEU A 94 -2.083 0.483 -3.807 1.00 0.00 C ATOM 1266 O LEU A 94 -3.291 0.342 -3.989 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.276 1.826 -1.778 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.605 2.632 -0.654 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.114 2.149 0.715 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -0.075 2.470 -0.626 1.00 0.00 C ATOM 0 H LEU A 94 -2.615 3.319 -3.767 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.471 1.609 -2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.248 2.278 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.462 0.821 -1.400 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.856 3.675 -0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.634 2.725 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.194 2.286 0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.876 1.093 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.339 3.063 0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.177 1.420 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.344 2.811 -1.572 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.203 -0.457 -4.193 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.607 -1.735 -4.693 1.00 0.00 C ATOM 1284 C LEU A 95 -1.680 -2.703 -3.562 1.00 0.00 C ATOM 1285 O LEU A 95 -0.666 -3.149 -3.028 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.609 -2.228 -5.755 1.00 0.00 C ATOM 1287 CG LEU A 95 -1.296 -2.940 -6.932 1.00 0.00 C ATOM 1288 CD1 LEU A 95 -0.229 -3.272 -7.989 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -2.087 -4.186 -6.501 1.00 0.00 C ATOM 0 H LEU A 95 -0.192 -0.328 -4.158 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.589 -1.650 -5.158 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.038 -1.380 -6.132 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.103 -2.909 -5.289 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.042 -2.269 -7.359 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.698 -3.778 -8.833 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.241 -2.351 -8.334 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.528 -3.923 -7.550 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.549 -4.644 -7.376 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.412 -4.901 -6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.862 -3.897 -5.791 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.921 -3.024 -3.153 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.236 -3.871 -2.045 1.00 0.00 C ATOM 1303 C LEU A 96 -3.693 -5.214 -2.500 1.00 0.00 C ATOM 1304 O LEU A 96 -4.356 -5.339 -3.528 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.345 -3.222 -1.201 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.888 -1.949 -0.467 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.760 -0.730 -0.813 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -3.883 -2.204 1.050 1.00 0.00 C ATOM 0 H LEU A 96 -3.753 -2.671 -3.625 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.332 -3.998 -1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.187 -2.977 -1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.705 -3.945 -0.469 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.877 -1.714 -0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.397 0.143 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.708 -0.538 -1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.793 -0.930 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.559 -1.302 1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.888 -2.470 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.198 -3.020 1.279 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.359 -6.265 -1.731 1.00 0.00 N ATOM 1321 CA GLU A 97 -3.831 -7.607 -1.874 1.00 0.00 C ATOM 1322 C GLU A 97 -4.614 -7.919 -0.644 1.00 0.00 C ATOM 1323 O GLU A 97 -4.311 -7.458 0.456 1.00 0.00 O ATOM 1324 CB GLU A 97 -2.686 -8.622 -2.027 1.00 0.00 C ATOM 1325 CG GLU A 97 -3.052 -10.105 -2.110 1.00 0.00 C ATOM 1326 CD GLU A 97 -1.843 -11.028 -2.051 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -0.870 -10.876 -2.837 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -1.854 -11.953 -1.196 1.00 0.00 O ATOM 0 H GLU A 97 -2.710 -6.168 -0.950 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.434 -7.683 -2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.128 -8.364 -2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.008 -8.491 -1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.729 -10.351 -1.292 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.594 -10.287 -3.038 1.00 0.00 H new ATOM 1335 N LYS A 98 -5.675 -8.730 -0.794 1.00 0.00 N ATOM 1336 CA LYS A 98 -6.549 -9.108 0.273 1.00 0.00 C ATOM 1337 C LYS A 98 -5.945 -10.074 1.232 1.00 0.00 C ATOM 1338 O LYS A 98 -5.199 -10.980 0.864 1.00 0.00 O ATOM 1339 CB LYS A 98 -7.842 -9.692 -0.321 1.00 0.00 C ATOM 1340 CG LYS A 98 -8.914 -8.643 -0.621 1.00 0.00 C ATOM 1341 CD LYS A 98 -9.613 -8.220 0.673 1.00 0.00 C ATOM 1342 CE LYS A 98 -10.916 -7.447 0.459 1.00 0.00 C ATOM 1343 NZ LYS A 98 -11.660 -7.403 1.738 1.00 0.00 N ATOM 0 H LYS A 98 -5.935 -9.138 -1.692 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.757 -8.206 0.849 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.600 -10.224 -1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.250 -10.426 0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.460 -7.775 -1.099 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.644 -9.048 -1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.825 -9.110 1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.930 -7.603 1.257 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.702 -6.436 0.112 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.518 -7.928 -0.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.549 -6.879 1.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.873 -8.372 2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.082 -6.926 2.460 1.00 0.00 H new ATOM 1434 N LEU B 206 9.051 -3.337 14.876 1.00 0.00 N ATOM 1435 CA LEU B 206 8.554 -2.765 13.663 1.00 0.00 C ATOM 1436 C LEU B 206 7.453 -1.790 13.905 1.00 0.00 C ATOM 1437 O LEU B 206 7.272 -1.297 15.016 1.00 0.00 O ATOM 1438 CB LEU B 206 8.153 -3.865 12.665 1.00 0.00 C ATOM 1439 CG LEU B 206 6.819 -4.610 12.836 1.00 0.00 C ATOM 1440 CD1 LEU B 206 6.927 -5.899 12.003 1.00 0.00 C ATOM 1441 CD2 LEU B 206 6.463 -5.016 14.276 1.00 0.00 C ATOM 0 HA LEU B 206 9.365 -2.192 13.213 1.00 0.00 H new ATOM 0 HB2 LEU B 206 8.148 -3.415 11.672 1.00 0.00 H new ATOM 0 HB3 LEU B 206 8.945 -4.613 12.672 1.00 0.00 H new ATOM 0 HG LEU B 206 6.033 -3.923 12.520 1.00 0.00 H new ATOM 0 HD11 LEU B 206 6.001 -6.467 12.091 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.098 -5.643 10.957 1.00 0.00 H new ATOM 0 HD13 LEU B 206 7.758 -6.501 12.370 1.00 0.00 H new ATOM 0 HD21 LEU B 206 5.504 -5.534 14.281 1.00 0.00 H new ATOM 0 HD22 LEU B 206 7.235 -5.678 14.669 1.00 0.00 H new ATOM 0 HD23 LEU B 206 6.397 -4.124 14.900 1.00 0.00 H new ATOM 1453 N VAL B 207 6.665 -1.491 12.856 1.00 0.00 N ATOM 1454 CA VAL B 207 5.489 -0.678 12.911 1.00 0.00 C ATOM 1455 C VAL B 207 5.782 0.783 12.924 1.00 0.00 C ATOM 1456 O VAL B 207 6.359 1.365 13.842 1.00 0.00 O ATOM 1457 CB VAL B 207 4.423 -1.177 13.841 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.540 -0.056 14.417 1.00 0.00 C ATOM 1459 CG2 VAL B 207 3.583 -2.230 13.099 1.00 0.00 C ATOM 0 H VAL B 207 6.860 -1.837 11.916 1.00 0.00 H new ATOM 0 HA VAL B 207 4.988 -0.807 11.951 1.00 0.00 H new ATOM 0 HB VAL B 207 4.910 -1.625 14.707 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.791 -0.488 15.081 1.00 0.00 H new ATOM 0 HG12 VAL B 207 4.160 0.644 14.976 1.00 0.00 H new ATOM 0 HG13 VAL B 207 3.043 0.470 13.602 1.00 0.00 H new ATOM 0 HG21 VAL B 207 2.802 -2.605 13.761 1.00 0.00 H new ATOM 0 HG22 VAL B 207 3.127 -1.777 12.219 1.00 0.00 H new ATOM 0 HG23 VAL B 207 4.224 -3.056 12.791 1.00 0.00 H new ATOM 1469 N THR B 208 5.385 1.439 11.819 1.00 0.00 N ATOM 1470 CA THR B 208 5.605 2.830 11.574 1.00 0.00 C ATOM 1471 C THR B 208 4.372 3.227 10.836 1.00 0.00 C ATOM 1472 O THR B 208 4.056 2.573 9.842 1.00 0.00 O ATOM 1473 CB THR B 208 6.778 3.111 10.684 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.996 2.754 11.323 1.00 0.00 O ATOM 1475 CG2 THR B 208 6.886 4.592 10.284 1.00 0.00 C ATOM 0 H THR B 208 4.886 0.976 11.059 1.00 0.00 H new ATOM 0 HA THR B 208 5.807 3.358 12.506 1.00 0.00 H new ATOM 0 HB THR B 208 6.612 2.512 9.789 1.00 0.00 H new ATOM 0 HG1 THR B 208 8.407 2.002 10.847 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.754 4.733 9.640 1.00 0.00 H new ATOM 0 HG22 THR B 208 5.985 4.891 9.749 1.00 0.00 H new ATOM 0 HG23 THR B 208 6.996 5.204 11.180 1.00 0.00 H new ATOM 1483 N SER B 209 3.629 4.247 11.299 1.00 0.00 N ATOM 1484 CA SER B 209 2.510 4.783 10.589 1.00 0.00 C ATOM 1485 C SER B 209 2.958 5.728 9.528 1.00 0.00 C ATOM 1486 O SER B 209 3.825 6.574 9.738 1.00 0.00 O ATOM 1487 CB SER B 209 1.381 5.345 11.470 1.00 0.00 C ATOM 1488 OG SER B 209 1.816 6.339 12.386 1.00 0.00 O ATOM 0 H SER B 209 3.810 4.711 12.189 1.00 0.00 H new ATOM 0 HA SER B 209 2.034 3.932 10.102 1.00 0.00 H new ATOM 0 HB2 SER B 209 0.607 5.767 10.829 1.00 0.00 H new ATOM 0 HB3 SER B 209 0.923 4.526 12.025 1.00 0.00 H new ATOM 0 HG SER B 209 1.052 6.655 12.913 1.00 0.00 H new ATOM 1494 N VAL B 210 2.432 5.561 8.301 1.00 0.00 N ATOM 1495 CA VAL B 210 3.015 6.074 7.101 1.00 0.00 C ATOM 1496 C VAL B 210 1.879 6.040 6.088 1.00 0.00 C ATOM 1497 O VAL B 210 0.808 5.441 6.377 1.00 0.00 O ATOM 1498 CB VAL B 210 4.216 5.277 6.690 1.00 0.00 C ATOM 1499 CG1 VAL B 210 3.874 3.793 6.473 1.00 0.00 C ATOM 1500 CG2 VAL B 210 4.878 5.875 5.438 1.00 0.00 C ATOM 1501 OXT VAL B 210 2.019 6.712 5.032 1.00 0.00 O ATOM 0 H VAL B 210 1.566 5.048 8.139 1.00 0.00 H new ATOM 0 HA VAL B 210 3.406 7.085 7.212 1.00 0.00 H new ATOM 0 HB VAL B 210 4.931 5.330 7.511 1.00 0.00 H new ATOM 0 HG11 VAL B 210 4.773 3.252 6.176 1.00 0.00 H new ATOM 0 HG12 VAL B 210 3.485 3.370 7.399 1.00 0.00 H new ATOM 0 HG13 VAL B 210 3.122 3.704 5.689 1.00 0.00 H new ATOM 0 HG21 VAL B 210 5.746 5.276 5.164 1.00 0.00 H new ATOM 0 HG22 VAL B 210 4.164 5.877 4.615 1.00 0.00 H new ATOM 0 HG23 VAL B 210 5.194 6.897 5.647 1.00 0.00 H new