USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 591 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 14 HIS : no HD1:sc= -0.394 X(o=-0.39,f=-0.86) USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -133:sc= -1.8 (180deg=-3.78!) USER MOD Single : A 38 THR OG1 : rot -27:sc= 0.0489 USER MOD Single : A 43 ASN : amide:sc= -2.52 K(o=-2.5,f=-3.4) USER MOD Single : A 46 HIS : no HD1:sc= -0.0949 X(o=-0.095,f=-0.45) USER MOD Single : A 53 SER OG : rot -90:sc= 0.0428 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.9 USER MOD Single : A 66 ASN : amide:sc= -0.628 X(o=-0.63,f=-0.59) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 49:sc= 0.0139 USER MOD Single : A 78 CYS SG : rot 180:sc= -0.725 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 85 THR OG1 : rot -140:sc= -0.535 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -4.02! C(o=-4!,f=-4.6!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 103 N ARG A 11 3.761 1.460 -10.257 1.00 0.00 N ATOM 104 CA ARG A 11 4.226 0.079 -10.298 1.00 0.00 C ATOM 105 C ARG A 11 3.168 -0.868 -9.739 1.00 0.00 C ATOM 106 O ARG A 11 2.813 -0.792 -8.563 1.00 0.00 O ATOM 107 CB ARG A 11 5.526 -0.067 -9.505 1.00 0.00 C ATOM 108 CG ARG A 11 6.359 -1.270 -9.917 1.00 0.00 C ATOM 109 CD ARG A 11 5.824 -2.554 -9.304 1.00 0.00 C ATOM 110 NE ARG A 11 6.770 -3.659 -9.436 1.00 0.00 N ATOM 111 CZ ARG A 11 7.043 -4.258 -10.590 1.00 0.00 C ATOM 112 NH1 ARG A 11 6.447 -3.860 -11.705 1.00 0.00 N ATOM 113 NH2 ARG A 11 7.916 -5.257 -10.630 1.00 0.00 N ATOM 0 HA ARG A 11 4.411 -0.185 -11.339 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.122 0.837 -9.631 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.288 -0.147 -8.444 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.361 -1.358 -11.003 1.00 0.00 H new ATOM 0 HG3 ARG A 11 7.393 -1.121 -9.607 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.605 -2.388 -8.249 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.884 -2.822 -9.786 1.00 0.00 H new ATOM 0 HE ARG A 11 7.247 -3.989 -8.597 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.777 -3.092 -11.679 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.659 -4.322 -12.589 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.378 -5.565 -9.774 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.125 -5.716 -11.516 1.00 0.00 H new ATOM 127 N GLU A 12 2.669 -1.758 -10.591 1.00 0.00 N ATOM 128 CA GLU A 12 1.651 -2.718 -10.181 1.00 0.00 C ATOM 129 C GLU A 12 2.291 -4.013 -9.688 1.00 0.00 C ATOM 130 O GLU A 12 3.084 -4.635 -10.394 1.00 0.00 O ATOM 131 CB GLU A 12 0.702 -3.016 -11.344 1.00 0.00 C ATOM 132 CG GLU A 12 -0.700 -3.400 -10.903 1.00 0.00 C ATOM 133 CD GLU A 12 -1.617 -2.200 -10.766 1.00 0.00 C ATOM 134 OE1 GLU A 12 -2.131 -1.724 -11.799 1.00 0.00 O ATOM 135 OE2 GLU A 12 -1.821 -1.737 -9.624 1.00 0.00 O ATOM 0 H GLU A 12 2.953 -1.834 -11.568 1.00 0.00 H new ATOM 0 HA GLU A 12 1.083 -2.279 -9.361 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.644 -2.139 -11.988 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.119 -3.825 -11.944 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.126 -4.097 -11.624 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.646 -3.923 -9.948 1.00 0.00 H new ATOM 142 N VAL A 13 1.940 -4.412 -8.470 1.00 0.00 N ATOM 143 CA VAL A 13 2.478 -5.632 -7.881 1.00 0.00 C ATOM 144 C VAL A 13 1.370 -6.486 -7.275 1.00 0.00 C ATOM 145 O VAL A 13 0.758 -6.111 -6.275 1.00 0.00 O ATOM 146 CB VAL A 13 3.521 -5.317 -6.792 1.00 0.00 C ATOM 147 CG1 VAL A 13 4.246 -6.584 -6.364 1.00 0.00 C ATOM 148 CG2 VAL A 13 4.507 -4.270 -7.287 1.00 0.00 C ATOM 0 H VAL A 13 1.285 -3.908 -7.872 1.00 0.00 H new ATOM 0 HA VAL A 13 2.960 -6.186 -8.687 1.00 0.00 H new ATOM 0 HB VAL A 13 3.003 -4.913 -5.922 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.979 -6.342 -5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.525 -7.299 -5.967 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.754 -7.021 -7.224 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.237 -4.059 -6.505 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.021 -4.644 -8.172 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.970 -3.355 -7.539 1.00 0.00 H new ATOM 158 N HIS A 14 1.116 -7.638 -7.888 1.00 0.00 N ATOM 159 CA HIS A 14 0.081 -8.548 -7.409 1.00 0.00 C ATOM 160 C HIS A 14 0.663 -9.566 -6.433 1.00 0.00 C ATOM 161 O HIS A 14 1.780 -10.050 -6.617 1.00 0.00 O ATOM 162 CB HIS A 14 -0.578 -9.269 -8.585 1.00 0.00 C ATOM 163 CG HIS A 14 -0.937 -8.361 -9.720 1.00 0.00 C ATOM 164 ND1 HIS A 14 0.004 -7.736 -10.511 1.00 0.00 N ATOM 165 CD2 HIS A 14 -2.143 -7.973 -10.196 1.00 0.00 C ATOM 166 CE1 HIS A 14 -0.608 -7.003 -11.424 1.00 0.00 C ATOM 167 NE2 HIS A 14 -1.911 -7.130 -11.255 1.00 0.00 N ATOM 0 H HIS A 14 1.613 -7.964 -8.717 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.673 -7.959 -6.886 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.097 -10.043 -8.950 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -1.479 -9.771 -8.233 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.108 -8.271 -9.814 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -0.124 -6.402 -12.180 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.629 -6.676 -11.819 1.00 0.00 H new ATOM 175 N LEU A 15 -0.102 -9.887 -5.395 1.00 0.00 N ATOM 176 CA LEU A 15 0.337 -10.847 -4.389 1.00 0.00 C ATOM 177 C LEU A 15 -0.643 -12.011 -4.282 1.00 0.00 C ATOM 178 O LEU A 15 -1.810 -11.887 -4.652 1.00 0.00 O ATOM 179 CB LEU A 15 0.482 -10.162 -3.029 1.00 0.00 C ATOM 180 CG LEU A 15 1.204 -8.813 -3.031 1.00 0.00 C ATOM 181 CD1 LEU A 15 0.879 -8.033 -1.767 1.00 0.00 C ATOM 182 CD2 LEU A 15 2.706 -9.013 -3.167 1.00 0.00 C ATOM 0 H LEU A 15 -1.029 -9.496 -5.228 1.00 0.00 H new ATOM 0 HA LEU A 15 1.306 -11.239 -4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.513 -10.018 -2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.016 -10.837 -2.360 1.00 0.00 H new ATOM 0 HG LEU A 15 0.856 -8.236 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.401 -7.076 -1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.196 -7.859 -1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.198 -8.604 -0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.204 -8.043 -3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.071 -9.609 -2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.921 -9.531 -4.102 1.00 0.00 H new ATOM 194 N GLU A 16 -0.161 -13.140 -3.772 1.00 0.00 N ATOM 195 CA GLU A 16 -0.997 -14.325 -3.615 1.00 0.00 C ATOM 196 C GLU A 16 -1.058 -14.758 -2.154 1.00 0.00 C ATOM 197 O GLU A 16 -0.095 -15.305 -1.615 1.00 0.00 O ATOM 198 CB GLU A 16 -0.462 -15.471 -4.477 1.00 0.00 C ATOM 199 CG GLU A 16 -0.837 -15.356 -5.944 1.00 0.00 C ATOM 200 CD GLU A 16 -0.399 -16.560 -6.755 1.00 0.00 C ATOM 201 OE1 GLU A 16 -0.643 -17.699 -6.304 1.00 0.00 O ATOM 202 OE2 GLU A 16 0.188 -16.364 -7.839 1.00 0.00 O ATOM 0 H GLU A 16 0.803 -13.259 -3.461 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.006 -14.073 -3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.624 -15.503 -4.390 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.841 -16.415 -4.087 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.917 -15.238 -6.031 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.383 -14.457 -6.362 1.00 0.00 H new ATOM 209 N LYS A 17 -2.197 -14.509 -1.516 1.00 0.00 N ATOM 210 CA LYS A 17 -2.386 -14.873 -0.117 1.00 0.00 C ATOM 211 C LYS A 17 -3.466 -15.941 0.026 1.00 0.00 C ATOM 212 O LYS A 17 -4.098 -16.333 -0.955 1.00 0.00 O ATOM 213 CB LYS A 17 -2.763 -13.638 0.706 1.00 0.00 C ATOM 214 CG LYS A 17 -4.258 -13.379 0.764 1.00 0.00 C ATOM 215 CD LYS A 17 -4.598 -12.293 1.771 1.00 0.00 C ATOM 216 CE LYS A 17 -4.440 -10.906 1.169 1.00 0.00 C ATOM 217 NZ LYS A 17 -4.373 -9.850 2.217 1.00 0.00 N ATOM 0 H LYS A 17 -3.003 -14.056 -1.946 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.446 -15.279 0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.384 -13.759 1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.268 -12.764 0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.616 -13.086 -0.223 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.777 -14.299 1.031 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.623 -12.425 2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.951 -12.388 2.643 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.534 -10.874 0.563 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.277 -10.702 0.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.008 -9.067 1.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.666 -10.249 3.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.398 -9.496 2.291 1.00 0.00 H new ATOM 231 N ARG A 18 -3.673 -16.406 1.253 1.00 0.00 N ATOM 232 CA ARG A 18 -4.676 -17.429 1.524 1.00 0.00 C ATOM 233 C ARG A 18 -5.863 -16.839 2.280 1.00 0.00 C ATOM 234 O ARG A 18 -5.690 -16.094 3.244 1.00 0.00 O ATOM 235 CB ARG A 18 -4.063 -18.575 2.331 1.00 0.00 C ATOM 236 CG ARG A 18 -3.106 -19.441 1.528 1.00 0.00 C ATOM 237 CD ARG A 18 -2.786 -20.738 2.254 1.00 0.00 C ATOM 238 NE ARG A 18 -1.783 -20.548 3.298 1.00 0.00 N ATOM 239 CZ ARG A 18 -1.646 -21.357 4.342 1.00 0.00 C ATOM 240 NH1 ARG A 18 -2.444 -22.407 4.481 1.00 0.00 N ATOM 241 NH2 ARG A 18 -0.709 -21.118 5.251 1.00 0.00 N ATOM 0 H ARG A 18 -3.159 -16.091 2.076 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.031 -17.816 0.569 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.533 -18.161 3.189 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.864 -19.201 2.723 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.545 -19.666 0.556 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.184 -18.890 1.342 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.698 -21.140 2.696 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.427 -21.476 1.537 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.153 -19.750 3.221 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.165 -22.595 3.785 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.336 -23.027 5.284 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.093 -20.312 5.148 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.605 -21.741 6.052 1.00 0.00 H new ATOM 255 N ARG A 19 -7.069 -17.177 1.834 1.00 0.00 N ATOM 256 CA ARG A 19 -8.284 -16.679 2.467 1.00 0.00 C ATOM 257 C ARG A 19 -8.092 -16.533 3.974 1.00 0.00 C ATOM 258 O ARG A 19 -7.872 -17.516 4.680 1.00 0.00 O ATOM 259 CB ARG A 19 -9.456 -17.620 2.180 1.00 0.00 C ATOM 260 CG ARG A 19 -10.791 -17.104 2.691 1.00 0.00 C ATOM 261 CD ARG A 19 -11.920 -18.073 2.378 1.00 0.00 C ATOM 262 NE ARG A 19 -11.770 -19.338 3.093 1.00 0.00 N ATOM 263 CZ ARG A 19 -12.778 -20.168 3.337 1.00 0.00 C ATOM 264 NH1 ARG A 19 -14.002 -19.868 2.926 1.00 0.00 N ATOM 265 NH2 ARG A 19 -12.562 -21.300 3.994 1.00 0.00 N ATOM 0 H ARG A 19 -7.230 -17.793 1.037 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.505 -15.697 2.050 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.526 -17.781 1.104 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.252 -18.589 2.635 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.733 -16.947 3.768 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.005 -16.136 2.239 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.873 -17.617 2.644 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.947 -18.264 1.305 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.841 -19.598 3.423 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -14.172 -18.998 2.421 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.774 -20.507 3.115 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.621 -21.534 4.312 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.336 -21.937 4.181 1.00 0.00 H new ATOM 279 N GLY A 20 -8.177 -15.298 4.459 1.00 0.00 N ATOM 280 CA GLY A 20 -8.010 -15.046 5.878 1.00 0.00 C ATOM 281 C GLY A 20 -6.552 -14.999 6.291 1.00 0.00 C ATOM 282 O GLY A 20 -6.200 -15.411 7.396 1.00 0.00 O ATOM 0 H GLY A 20 -8.358 -14.468 3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.488 -14.100 6.135 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.520 -15.825 6.445 1.00 0.00 H new ATOM 286 N GLU A 21 -5.702 -14.498 5.400 1.00 0.00 N ATOM 287 CA GLU A 21 -4.274 -14.402 5.677 1.00 0.00 C ATOM 288 C GLU A 21 -3.845 -12.945 5.825 1.00 0.00 C ATOM 289 O GLU A 21 -4.067 -12.128 4.932 1.00 0.00 O ATOM 290 CB GLU A 21 -3.469 -15.071 4.562 1.00 0.00 C ATOM 291 CG GLU A 21 -1.965 -14.979 4.757 1.00 0.00 C ATOM 292 CD GLU A 21 -1.466 -15.866 5.881 1.00 0.00 C ATOM 293 OE1 GLU A 21 -2.017 -16.974 6.052 1.00 0.00 O ATOM 294 OE2 GLU A 21 -0.525 -15.452 6.590 1.00 0.00 O ATOM 0 H GLU A 21 -5.978 -14.153 4.481 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.077 -14.918 6.617 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.755 -16.121 4.499 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.732 -14.611 3.609 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.465 -15.258 3.830 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.692 -13.945 4.967 1.00 0.00 H new ATOM 301 N GLY A 22 -3.229 -12.627 6.959 1.00 0.00 N ATOM 302 CA GLY A 22 -2.779 -11.269 7.204 1.00 0.00 C ATOM 303 C GLY A 22 -1.925 -10.729 6.075 1.00 0.00 C ATOM 304 O GLY A 22 -0.842 -11.249 5.802 1.00 0.00 O ATOM 0 H GLY A 22 -3.033 -13.286 7.713 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.645 -10.622 7.342 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.209 -11.240 8.133 1.00 0.00 H new ATOM 308 N LEU A 23 -2.412 -9.684 5.414 1.00 0.00 N ATOM 309 CA LEU A 23 -1.686 -9.074 4.306 1.00 0.00 C ATOM 310 C LEU A 23 -0.206 -8.920 4.643 1.00 0.00 C ATOM 311 O LEU A 23 0.651 -8.983 3.763 1.00 0.00 O ATOM 312 CB LEU A 23 -2.287 -7.709 3.967 1.00 0.00 C ATOM 313 CG LEU A 23 -2.128 -7.246 2.518 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.551 -5.793 2.373 1.00 0.00 C ATOM 315 CD2 LEU A 23 -0.691 -7.434 2.054 1.00 0.00 C ATOM 0 H LEU A 23 -3.306 -9.242 5.626 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.776 -9.730 3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.350 -7.734 4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.832 -6.962 4.618 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.775 -7.856 1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.431 -5.481 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.596 -5.687 2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.930 -5.168 3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.596 -7.100 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.025 -6.849 2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.422 -8.488 2.120 1.00 0.00 H new ATOM 327 N GLY A 24 0.086 -8.721 5.925 1.00 0.00 N ATOM 328 CA GLY A 24 1.463 -8.565 6.356 1.00 0.00 C ATOM 329 C GLY A 24 2.061 -7.242 5.919 1.00 0.00 C ATOM 330 O GLY A 24 3.037 -7.210 5.170 1.00 0.00 O ATOM 0 H GLY A 24 -0.606 -8.665 6.672 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.511 -8.641 7.442 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.062 -9.382 5.952 1.00 0.00 H new ATOM 334 N VAL A 25 1.472 -6.145 6.386 1.00 0.00 N ATOM 335 CA VAL A 25 1.951 -4.813 6.039 1.00 0.00 C ATOM 336 C VAL A 25 1.602 -3.803 7.126 1.00 0.00 C ATOM 337 O VAL A 25 0.467 -3.754 7.600 1.00 0.00 O ATOM 338 CB VAL A 25 1.360 -4.335 4.700 1.00 0.00 C ATOM 339 CG1 VAL A 25 2.085 -4.988 3.532 1.00 0.00 C ATOM 340 CG2 VAL A 25 -0.132 -4.627 4.642 1.00 0.00 C ATOM 0 H VAL A 25 0.662 -6.153 7.006 1.00 0.00 H new ATOM 0 HA VAL A 25 3.035 -4.881 5.945 1.00 0.00 H new ATOM 0 HB VAL A 25 1.499 -3.257 4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.653 -4.638 2.594 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.142 -4.724 3.566 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.980 -6.071 3.598 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.533 -4.283 3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.297 -5.700 4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.636 -4.108 5.457 1.00 0.00 H new ATOM 350 N ALA A 26 2.584 -2.997 7.515 1.00 0.00 N ATOM 351 CA ALA A 26 2.380 -1.985 8.544 1.00 0.00 C ATOM 352 C ALA A 26 2.562 -0.581 7.978 1.00 0.00 C ATOM 353 O ALA A 26 3.671 -0.185 7.617 1.00 0.00 O ATOM 354 CB ALA A 26 3.333 -2.215 9.707 1.00 0.00 C ATOM 0 H ALA A 26 3.529 -3.025 7.133 1.00 0.00 H new ATOM 0 HA ALA A 26 1.355 -2.072 8.906 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.169 -1.452 10.468 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.152 -3.200 10.136 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.362 -2.158 9.351 1.00 0.00 H new ATOM 360 N LEU A 27 1.468 0.168 7.902 1.00 0.00 N ATOM 361 CA LEU A 27 1.507 1.529 7.378 1.00 0.00 C ATOM 362 C LEU A 27 1.361 2.549 8.503 1.00 0.00 C ATOM 363 O LEU A 27 1.102 2.190 9.651 1.00 0.00 O ATOM 364 CB LEU A 27 0.398 1.731 6.344 1.00 0.00 C ATOM 365 CG LEU A 27 0.287 0.657 5.261 1.00 0.00 C ATOM 366 CD1 LEU A 27 -1.121 0.619 4.689 1.00 0.00 C ATOM 367 CD2 LEU A 27 1.306 0.906 4.158 1.00 0.00 C ATOM 0 H LEU A 27 0.543 -0.144 8.197 1.00 0.00 H new ATOM 0 HA LEU A 27 2.474 1.680 6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.555 1.789 6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.553 2.694 5.858 1.00 0.00 H new ATOM 0 HG LEU A 27 0.499 -0.312 5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.181 -0.151 3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.831 0.393 5.485 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.362 1.588 4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.213 0.133 3.396 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.124 1.882 3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.311 0.882 4.579 1.00 0.00 H new ATOM 379 N VAL A 28 1.527 3.824 8.164 1.00 0.00 N ATOM 380 CA VAL A 28 1.411 4.897 9.144 1.00 0.00 C ATOM 381 C VAL A 28 0.952 6.194 8.486 1.00 0.00 C ATOM 382 O VAL A 28 0.729 6.243 7.277 1.00 0.00 O ATOM 383 CB VAL A 28 2.749 5.146 9.865 1.00 0.00 C ATOM 384 CG1 VAL A 28 2.946 4.138 10.987 1.00 0.00 C ATOM 385 CG2 VAL A 28 3.905 5.089 8.878 1.00 0.00 C ATOM 0 H VAL A 28 1.742 4.139 7.218 1.00 0.00 H new ATOM 0 HA VAL A 28 0.667 4.580 9.875 1.00 0.00 H new ATOM 0 HB VAL A 28 2.725 6.143 10.304 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.896 4.329 11.485 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.133 4.232 11.707 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.950 3.129 10.574 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.842 5.267 9.405 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.934 4.106 8.408 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.768 5.853 8.113 1.00 0.00 H new ATOM 395 N GLU A 29 0.812 7.242 9.292 1.00 0.00 N ATOM 396 CA GLU A 29 0.379 8.540 8.788 1.00 0.00 C ATOM 397 C GLU A 29 1.577 9.389 8.370 1.00 0.00 C ATOM 398 O GLU A 29 2.478 9.645 9.168 1.00 0.00 O ATOM 399 CB GLU A 29 -0.437 9.278 9.850 1.00 0.00 C ATOM 400 CG GLU A 29 -1.759 8.605 10.179 1.00 0.00 C ATOM 401 CD GLU A 29 -2.259 8.948 11.569 1.00 0.00 C ATOM 402 OE1 GLU A 29 -1.417 9.200 12.456 1.00 0.00 O ATOM 403 OE2 GLU A 29 -3.491 8.965 11.770 1.00 0.00 O ATOM 0 H GLU A 29 0.992 7.218 10.296 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.247 8.370 7.912 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.156 9.359 10.761 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.632 10.294 9.505 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.507 8.903 9.444 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.643 7.524 10.095 1.00 0.00 H new ATOM 522 N THR A 38 -0.082 10.801 2.444 1.00 0.00 N ATOM 523 CA THR A 38 0.338 9.652 1.652 1.00 0.00 C ATOM 524 C THR A 38 0.612 8.443 2.540 1.00 0.00 C ATOM 525 O THR A 38 1.033 8.587 3.687 1.00 0.00 O ATOM 526 CB THR A 38 1.603 9.968 0.831 1.00 0.00 C ATOM 527 OG1 THR A 38 2.678 10.327 1.706 1.00 0.00 O ATOM 528 CG2 THR A 38 1.342 11.101 -0.150 1.00 0.00 C ATOM 0 HA THR A 38 -0.481 9.421 0.971 1.00 0.00 H new ATOM 0 HB THR A 38 1.876 9.076 0.268 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.314 10.713 2.530 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.249 11.306 -0.718 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.543 10.814 -0.833 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.047 11.996 0.398 1.00 0.00 H new ATOM 536 N ALA A 39 0.371 7.253 2.001 1.00 0.00 N ATOM 537 CA ALA A 39 0.594 6.019 2.744 1.00 0.00 C ATOM 538 C ALA A 39 2.051 5.579 2.654 1.00 0.00 C ATOM 539 O ALA A 39 2.626 5.520 1.567 1.00 0.00 O ATOM 540 CB ALA A 39 -0.324 4.920 2.229 1.00 0.00 C ATOM 0 H ALA A 39 0.021 7.117 1.053 1.00 0.00 H new ATOM 0 HA ALA A 39 0.364 6.209 3.792 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.147 4.004 2.793 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.363 5.226 2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.121 4.741 1.173 1.00 0.00 H new ATOM 546 N VAL A 40 2.645 5.273 3.803 1.00 0.00 N ATOM 547 CA VAL A 40 4.035 4.839 3.853 1.00 0.00 C ATOM 548 C VAL A 40 4.190 3.590 4.714 1.00 0.00 C ATOM 549 O VAL A 40 3.724 3.547 5.853 1.00 0.00 O ATOM 550 CB VAL A 40 4.950 5.947 4.407 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.403 5.498 4.392 1.00 0.00 C ATOM 552 CG2 VAL A 40 4.772 7.231 3.611 1.00 0.00 C ATOM 0 H VAL A 40 2.184 5.318 4.712 1.00 0.00 H new ATOM 0 HA VAL A 40 4.332 4.611 2.829 1.00 0.00 H new ATOM 0 HB VAL A 40 4.667 6.145 5.441 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.034 6.294 4.787 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.515 4.607 5.009 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.703 5.271 3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.426 8.004 4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.027 7.050 2.567 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.735 7.561 3.679 1.00 0.00 H new ATOM 562 N ILE A 41 4.848 2.576 4.162 1.00 0.00 N ATOM 563 CA ILE A 41 5.066 1.326 4.881 1.00 0.00 C ATOM 564 C ILE A 41 5.979 1.536 6.084 1.00 0.00 C ATOM 565 O ILE A 41 7.192 1.681 5.938 1.00 0.00 O ATOM 566 CB ILE A 41 5.681 0.251 3.966 1.00 0.00 C ATOM 567 CG1 ILE A 41 4.823 0.064 2.713 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.824 -1.065 4.717 1.00 0.00 C ATOM 569 CD1 ILE A 41 5.495 -0.759 1.637 1.00 0.00 C ATOM 0 H ILE A 41 5.239 2.595 3.220 1.00 0.00 H new ATOM 0 HA ILE A 41 4.089 0.985 5.224 1.00 0.00 H new ATOM 0 HB ILE A 41 6.673 0.582 3.658 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.885 -0.416 2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.571 1.043 2.306 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.260 -1.815 4.057 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.472 -0.922 5.582 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.843 -1.402 5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.829 -0.850 0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.419 -0.270 1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.722 -1.751 2.027 1.00 0.00 H new ATOM 581 N ALA A 42 5.386 1.549 7.274 1.00 0.00 N ATOM 582 CA ALA A 42 6.146 1.736 8.504 1.00 0.00 C ATOM 583 C ALA A 42 6.987 0.505 8.823 1.00 0.00 C ATOM 584 O ALA A 42 8.140 0.620 9.235 1.00 0.00 O ATOM 585 CB ALA A 42 5.209 2.052 9.660 1.00 0.00 C ATOM 0 H ALA A 42 4.382 1.432 7.412 1.00 0.00 H new ATOM 0 HA ALA A 42 6.823 2.578 8.359 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.790 2.189 10.572 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.656 2.966 9.441 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.509 1.228 9.796 1.00 0.00 H new ATOM 591 N ASN A 43 6.401 -0.672 8.629 1.00 0.00 N ATOM 592 CA ASN A 43 7.097 -1.925 8.898 1.00 0.00 C ATOM 593 C ASN A 43 6.455 -3.079 8.134 1.00 0.00 C ATOM 594 O ASN A 43 5.307 -2.986 7.697 1.00 0.00 O ATOM 595 CB ASN A 43 7.089 -2.226 10.398 1.00 0.00 C ATOM 596 CG ASN A 43 7.902 -1.222 11.193 1.00 0.00 C ATOM 597 OD1 ASN A 43 7.389 -0.184 11.611 1.00 0.00 O ATOM 598 ND2 ASN A 43 9.176 -1.528 11.406 1.00 0.00 N ATOM 0 H ASN A 43 5.447 -0.784 8.287 1.00 0.00 H new ATOM 0 HA ASN A 43 8.128 -1.818 8.561 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.061 -2.226 10.761 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.486 -3.227 10.567 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.772 -0.891 11.935 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.559 -2.400 11.041 1.00 0.00 H new ATOM 605 N LEU A 44 7.203 -4.165 7.975 1.00 0.00 N ATOM 606 CA LEU A 44 6.707 -5.339 7.264 1.00 0.00 C ATOM 607 C LEU A 44 7.122 -6.623 7.976 1.00 0.00 C ATOM 608 O LEU A 44 8.096 -6.640 8.730 1.00 0.00 O ATOM 609 CB LEU A 44 7.230 -5.347 5.827 1.00 0.00 C ATOM 610 CG LEU A 44 6.784 -4.181 4.943 1.00 0.00 C ATOM 611 CD1 LEU A 44 7.388 -4.303 3.553 1.00 0.00 C ATOM 612 CD2 LEU A 44 5.265 -4.125 4.863 1.00 0.00 C ATOM 0 H LEU A 44 8.155 -4.258 8.329 1.00 0.00 H new ATOM 0 HA LEU A 44 5.618 -5.291 7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.320 -5.357 5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.916 -6.277 5.353 1.00 0.00 H new ATOM 0 HG LEU A 44 7.140 -3.253 5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.059 -3.465 2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.475 -4.294 3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.063 -5.237 3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.965 -3.290 4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.888 -5.056 4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.853 -3.989 5.863 1.00 0.00 H new ATOM 624 N LEU A 45 6.379 -7.696 7.730 1.00 0.00 N ATOM 625 CA LEU A 45 6.671 -8.986 8.345 1.00 0.00 C ATOM 626 C LEU A 45 7.333 -9.929 7.345 1.00 0.00 C ATOM 627 O LEU A 45 6.684 -10.435 6.430 1.00 0.00 O ATOM 628 CB LEU A 45 5.387 -9.618 8.885 1.00 0.00 C ATOM 629 CG LEU A 45 5.569 -10.731 9.917 1.00 0.00 C ATOM 630 CD1 LEU A 45 4.271 -10.982 10.667 1.00 0.00 C ATOM 631 CD2 LEU A 45 6.054 -12.007 9.244 1.00 0.00 C ATOM 0 H LEU A 45 5.570 -7.698 7.109 1.00 0.00 H new ATOM 0 HA LEU A 45 7.362 -8.818 9.171 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.779 -8.832 9.332 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.822 -10.019 8.044 1.00 0.00 H new ATOM 0 HG LEU A 45 6.324 -10.413 10.636 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.421 -11.777 11.397 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.966 -10.071 11.181 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.495 -11.278 9.962 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.178 -12.789 9.993 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.322 -12.328 8.502 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.009 -11.819 8.754 1.00 0.00 H new ATOM 643 N HIS A 46 8.629 -10.162 7.528 1.00 0.00 N ATOM 644 CA HIS A 46 9.379 -11.046 6.644 1.00 0.00 C ATOM 645 C HIS A 46 8.726 -12.423 6.571 1.00 0.00 C ATOM 646 O HIS A 46 8.899 -13.251 7.464 1.00 0.00 O ATOM 647 CB HIS A 46 10.824 -11.179 7.126 1.00 0.00 C ATOM 648 CG HIS A 46 11.747 -10.155 6.542 1.00 0.00 C ATOM 649 ND1 HIS A 46 11.305 -8.972 5.989 1.00 0.00 N ATOM 650 CD2 HIS A 46 13.096 -10.142 6.428 1.00 0.00 C ATOM 651 CE1 HIS A 46 12.342 -8.275 5.558 1.00 0.00 C ATOM 652 NE2 HIS A 46 13.441 -8.963 5.813 1.00 0.00 N ATOM 0 H HIS A 46 9.181 -9.751 8.281 1.00 0.00 H new ATOM 0 HA HIS A 46 9.376 -10.608 5.646 1.00 0.00 H new ATOM 0 HB2 HIS A 46 10.845 -11.097 8.213 1.00 0.00 H new ATOM 0 HB3 HIS A 46 11.192 -12.174 6.874 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.774 -10.914 6.759 1.00 0.00 H new ATOM 0 HE1 HIS A 46 12.299 -7.308 5.079 1.00 0.00 H new ATOM 0 HE2 HIS A 46 14.391 -8.667 5.590 1.00 0.00 H new ATOM 660 N GLY A 47 7.973 -12.660 5.501 1.00 0.00 N ATOM 661 CA GLY A 47 7.305 -13.937 5.332 1.00 0.00 C ATOM 662 C GLY A 47 5.878 -13.785 4.844 1.00 0.00 C ATOM 663 O GLY A 47 5.274 -14.741 4.361 1.00 0.00 O ATOM 0 H GLY A 47 7.814 -11.990 4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.865 -14.546 4.622 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.306 -14.472 6.281 1.00 0.00 H new ATOM 667 N GLY A 48 5.336 -12.577 4.970 1.00 0.00 N ATOM 668 CA GLY A 48 3.975 -12.325 4.535 1.00 0.00 C ATOM 669 C GLY A 48 3.829 -12.382 3.027 1.00 0.00 C ATOM 670 O GLY A 48 4.807 -12.509 2.291 1.00 0.00 O ATOM 0 H GLY A 48 5.816 -11.769 5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.310 -13.059 4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.659 -11.345 4.891 1.00 0.00 H new ATOM 674 N PRO A 49 2.580 -12.289 2.546 1.00 0.00 N ATOM 675 CA PRO A 49 2.279 -12.330 1.112 1.00 0.00 C ATOM 676 C PRO A 49 2.758 -11.079 0.384 1.00 0.00 C ATOM 677 O PRO A 49 3.064 -11.121 -0.808 1.00 0.00 O ATOM 678 CB PRO A 49 0.752 -12.420 1.072 1.00 0.00 C ATOM 679 CG PRO A 49 0.303 -11.807 2.354 1.00 0.00 C ATOM 680 CD PRO A 49 1.366 -12.136 3.365 1.00 0.00 C ATOM 0 HA PRO A 49 2.781 -13.159 0.614 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.346 -11.885 0.214 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.418 -13.454 0.989 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.184 -10.729 2.250 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.664 -12.207 2.660 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.477 -11.342 4.104 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.132 -13.050 3.911 1.00 0.00 H new ATOM 688 N ALA A 50 2.821 -9.966 1.107 1.00 0.00 N ATOM 689 CA ALA A 50 3.265 -8.703 0.530 1.00 0.00 C ATOM 690 C ALA A 50 4.784 -8.584 0.574 1.00 0.00 C ATOM 691 O ALA A 50 5.398 -8.019 -0.331 1.00 0.00 O ATOM 692 CB ALA A 50 2.620 -7.534 1.259 1.00 0.00 C ATOM 0 H ALA A 50 2.570 -9.913 2.094 1.00 0.00 H new ATOM 0 HA ALA A 50 2.955 -8.680 -0.515 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.961 -6.597 0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.536 -7.604 1.171 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.901 -7.562 2.312 1.00 0.00 H new ATOM 698 N GLU A 51 5.385 -9.119 1.632 1.00 0.00 N ATOM 699 CA GLU A 51 6.834 -9.070 1.793 1.00 0.00 C ATOM 700 C GLU A 51 7.517 -10.085 0.882 1.00 0.00 C ATOM 701 O GLU A 51 8.470 -9.758 0.175 1.00 0.00 O ATOM 702 CB GLU A 51 7.216 -9.337 3.251 1.00 0.00 C ATOM 703 CG GLU A 51 8.714 -9.298 3.504 1.00 0.00 C ATOM 704 CD GLU A 51 9.382 -10.637 3.260 1.00 0.00 C ATOM 705 OE1 GLU A 51 8.657 -11.632 3.051 1.00 0.00 O ATOM 706 OE2 GLU A 51 10.629 -10.690 3.278 1.00 0.00 O ATOM 0 H GLU A 51 4.892 -9.591 2.390 1.00 0.00 H new ATOM 0 HA GLU A 51 7.172 -8.072 1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.729 -8.597 3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.831 -10.313 3.546 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.168 -8.547 2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.897 -8.987 4.533 1.00 0.00 H new ATOM 713 N ARG A 52 7.023 -11.319 0.905 1.00 0.00 N ATOM 714 CA ARG A 52 7.586 -12.383 0.083 1.00 0.00 C ATOM 715 C ARG A 52 7.983 -11.855 -1.293 1.00 0.00 C ATOM 716 O ARG A 52 8.970 -12.300 -1.879 1.00 0.00 O ATOM 717 CB ARG A 52 6.581 -13.526 -0.068 1.00 0.00 C ATOM 718 CG ARG A 52 5.395 -13.181 -0.953 1.00 0.00 C ATOM 719 CD ARG A 52 4.685 -14.433 -1.447 1.00 0.00 C ATOM 720 NE ARG A 52 5.546 -15.250 -2.298 1.00 0.00 N ATOM 721 CZ ARG A 52 5.095 -16.221 -3.084 1.00 0.00 C ATOM 722 NH1 ARG A 52 3.798 -16.494 -3.127 1.00 0.00 N ATOM 723 NH2 ARG A 52 5.941 -16.921 -3.829 1.00 0.00 N ATOM 0 H ARG A 52 6.234 -11.606 1.484 1.00 0.00 H new ATOM 0 HA ARG A 52 8.480 -12.758 0.581 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.092 -14.395 -0.482 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.216 -13.811 0.919 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.693 -12.559 -0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.735 -12.594 -1.806 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.354 -15.023 -0.592 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.791 -14.148 -2.002 1.00 0.00 H new ATOM 0 HE ARG A 52 6.549 -15.065 -2.288 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.145 -15.958 -2.556 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.454 -17.240 -3.731 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.939 -16.714 -3.799 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.593 -17.666 -4.432 1.00 0.00 H new ATOM 737 N SER A 53 7.206 -10.905 -1.803 1.00 0.00 N ATOM 738 CA SER A 53 7.473 -10.319 -3.111 1.00 0.00 C ATOM 739 C SER A 53 8.938 -9.914 -3.236 1.00 0.00 C ATOM 740 O SER A 53 9.599 -10.228 -4.225 1.00 0.00 O ATOM 741 CB SER A 53 6.574 -9.103 -3.343 1.00 0.00 C ATOM 742 OG SER A 53 7.136 -7.937 -2.766 1.00 0.00 O ATOM 0 H SER A 53 6.386 -10.525 -1.330 1.00 0.00 H new ATOM 0 HA SER A 53 7.256 -11.071 -3.869 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.431 -8.951 -4.413 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.589 -9.287 -2.913 1.00 0.00 H new ATOM 0 HG SER A 53 6.816 -7.841 -1.845 1.00 0.00 H new ATOM 748 N GLY A 54 9.440 -9.212 -2.224 1.00 0.00 N ATOM 749 CA GLY A 54 10.824 -8.774 -2.239 1.00 0.00 C ATOM 750 C GLY A 54 10.976 -7.353 -2.743 1.00 0.00 C ATOM 751 O GLY A 54 11.862 -6.622 -2.300 1.00 0.00 O ATOM 0 H GLY A 54 8.913 -8.939 -1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.235 -8.845 -1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.407 -9.445 -2.870 1.00 0.00 H new ATOM 755 N ALA A 55 10.112 -6.960 -3.673 1.00 0.00 N ATOM 756 CA ALA A 55 10.155 -5.617 -4.238 1.00 0.00 C ATOM 757 C ALA A 55 9.492 -4.608 -3.305 1.00 0.00 C ATOM 758 O ALA A 55 9.886 -3.442 -3.255 1.00 0.00 O ATOM 759 CB ALA A 55 9.483 -5.597 -5.603 1.00 0.00 C ATOM 0 H ALA A 55 9.373 -7.553 -4.051 1.00 0.00 H new ATOM 0 HA ALA A 55 11.200 -5.332 -4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.522 -4.588 -6.013 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.002 -6.282 -6.274 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.443 -5.907 -5.501 1.00 0.00 H new ATOM 765 N LEU A 56 8.485 -5.063 -2.569 1.00 0.00 N ATOM 766 CA LEU A 56 7.767 -4.200 -1.638 1.00 0.00 C ATOM 767 C LEU A 56 8.448 -4.185 -0.273 1.00 0.00 C ATOM 768 O LEU A 56 8.416 -5.174 0.458 1.00 0.00 O ATOM 769 CB LEU A 56 6.317 -4.667 -1.492 1.00 0.00 C ATOM 770 CG LEU A 56 5.557 -4.913 -2.796 1.00 0.00 C ATOM 771 CD1 LEU A 56 4.492 -5.981 -2.600 1.00 0.00 C ATOM 772 CD2 LEU A 56 4.932 -3.621 -3.301 1.00 0.00 C ATOM 0 H LEU A 56 8.147 -6.025 -2.599 1.00 0.00 H new ATOM 0 HA LEU A 56 7.777 -3.187 -2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.310 -5.589 -0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.773 -3.921 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 56 6.265 -5.268 -3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.962 -6.142 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.964 -6.912 -2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.786 -5.655 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.395 -3.815 -4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.237 -3.237 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.715 -2.884 -3.482 1.00 0.00 H new ATOM 784 N SER A 57 9.062 -3.055 0.064 1.00 0.00 N ATOM 785 CA SER A 57 9.752 -2.911 1.340 1.00 0.00 C ATOM 786 C SER A 57 9.368 -1.601 2.021 1.00 0.00 C ATOM 787 O SER A 57 8.692 -0.757 1.431 1.00 0.00 O ATOM 788 CB SER A 57 11.267 -2.967 1.134 1.00 0.00 C ATOM 789 OG SER A 57 11.683 -2.032 0.153 1.00 0.00 O ATOM 0 H SER A 57 9.095 -2.226 -0.529 1.00 0.00 H new ATOM 0 HA SER A 57 9.449 -3.737 1.984 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.773 -2.759 2.077 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.559 -3.972 0.830 1.00 0.00 H new ATOM 0 HG SER A 57 12.655 -2.086 0.041 1.00 0.00 H new ATOM 795 N ILE A 58 9.803 -1.439 3.266 1.00 0.00 N ATOM 796 CA ILE A 58 9.507 -0.232 4.027 1.00 0.00 C ATOM 797 C ILE A 58 9.925 1.018 3.261 1.00 0.00 C ATOM 798 O ILE A 58 11.044 1.104 2.757 1.00 0.00 O ATOM 799 CB ILE A 58 10.213 -0.242 5.396 1.00 0.00 C ATOM 800 CG1 ILE A 58 9.762 -1.452 6.217 1.00 0.00 C ATOM 801 CG2 ILE A 58 9.930 1.050 6.147 1.00 0.00 C ATOM 802 CD1 ILE A 58 10.790 -1.912 7.227 1.00 0.00 C ATOM 0 H ILE A 58 10.362 -2.129 3.769 1.00 0.00 H new ATOM 0 HA ILE A 58 8.428 -0.215 4.184 1.00 0.00 H new ATOM 0 HB ILE A 58 11.288 -0.317 5.234 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.838 -1.203 6.738 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.535 -2.276 5.541 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.436 1.028 7.112 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.295 1.896 5.565 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.856 1.153 6.302 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.404 -2.773 7.773 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.708 -2.192 6.710 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.000 -1.103 7.927 1.00 0.00 H new ATOM 814 N GLY A 59 9.019 1.987 3.178 1.00 0.00 N ATOM 815 CA GLY A 59 9.313 3.221 2.474 1.00 0.00 C ATOM 816 C GLY A 59 8.412 3.432 1.273 1.00 0.00 C ATOM 817 O GLY A 59 7.778 4.479 1.141 1.00 0.00 O ATOM 0 H GLY A 59 8.086 1.939 3.586 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.203 4.062 3.159 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.353 3.210 2.147 1.00 0.00 H new ATOM 821 N ASP A 60 8.357 2.437 0.395 1.00 0.00 N ATOM 822 CA ASP A 60 7.528 2.518 -0.802 1.00 0.00 C ATOM 823 C ASP A 60 6.163 3.117 -0.478 1.00 0.00 C ATOM 824 O ASP A 60 5.440 2.611 0.381 1.00 0.00 O ATOM 825 CB ASP A 60 7.355 1.131 -1.424 1.00 0.00 C ATOM 826 CG ASP A 60 8.678 0.504 -1.817 1.00 0.00 C ATOM 827 OD1 ASP A 60 9.341 -0.084 -0.936 1.00 0.00 O ATOM 828 OD2 ASP A 60 9.050 0.600 -3.004 1.00 0.00 O ATOM 0 H ASP A 60 8.877 1.564 0.490 1.00 0.00 H new ATOM 0 HA ASP A 60 8.030 3.169 -1.518 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.844 0.479 -0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.717 1.208 -2.304 1.00 0.00 H new ATOM 833 N ARG A 61 5.818 4.199 -1.169 1.00 0.00 N ATOM 834 CA ARG A 61 4.541 4.868 -0.953 1.00 0.00 C ATOM 835 C ARG A 61 3.419 4.154 -1.701 1.00 0.00 C ATOM 836 O ARG A 61 3.584 3.754 -2.854 1.00 0.00 O ATOM 837 CB ARG A 61 4.623 6.327 -1.405 1.00 0.00 C ATOM 838 CG ARG A 61 4.246 6.534 -2.863 1.00 0.00 C ATOM 839 CD ARG A 61 2.750 6.756 -3.026 1.00 0.00 C ATOM 840 NE ARG A 61 2.395 8.171 -2.954 1.00 0.00 N ATOM 841 CZ ARG A 61 2.445 8.995 -3.994 1.00 0.00 C ATOM 842 NH1 ARG A 61 2.833 8.548 -5.180 1.00 0.00 N ATOM 843 NH2 ARG A 61 2.107 10.270 -3.849 1.00 0.00 N ATOM 0 H ARG A 61 6.405 4.631 -1.883 1.00 0.00 H new ATOM 0 HA ARG A 61 4.319 4.837 0.114 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.965 6.930 -0.779 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.638 6.692 -1.245 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.788 7.392 -3.262 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.552 5.665 -3.446 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.426 6.349 -3.984 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.216 6.208 -2.250 1.00 0.00 H new ATOM 0 HE ARG A 61 2.092 8.547 -2.055 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.094 7.569 -5.295 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.870 9.183 -5.977 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.808 10.618 -2.938 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.146 10.902 -4.649 1.00 0.00 H new ATOM 857 N LEU A 62 2.278 3.998 -1.038 1.00 0.00 N ATOM 858 CA LEU A 62 1.128 3.332 -1.640 1.00 0.00 C ATOM 859 C LEU A 62 0.159 4.349 -2.234 1.00 0.00 C ATOM 860 O LEU A 62 -0.053 5.424 -1.671 1.00 0.00 O ATOM 861 CB LEU A 62 0.409 2.473 -0.598 1.00 0.00 C ATOM 862 CG LEU A 62 -0.803 1.686 -1.099 1.00 0.00 C ATOM 863 CD1 LEU A 62 -0.986 0.414 -0.286 1.00 0.00 C ATOM 864 CD2 LEU A 62 -2.058 2.545 -1.039 1.00 0.00 C ATOM 0 H LEU A 62 2.125 4.324 -0.084 1.00 0.00 H new ATOM 0 HA LEU A 62 1.490 2.691 -2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.127 1.768 -0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.085 3.120 0.217 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.627 1.407 -2.138 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.853 -0.133 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.096 -0.209 -0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.140 0.671 0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.911 1.969 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.238 2.855 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.925 3.427 -1.665 1.00 0.00 H new ATOM 876 N THR A 63 -0.429 4.003 -3.374 1.00 0.00 N ATOM 877 CA THR A 63 -1.377 4.884 -4.044 1.00 0.00 C ATOM 878 C THR A 63 -2.782 4.294 -4.030 1.00 0.00 C ATOM 879 O THR A 63 -3.764 5.010 -3.840 1.00 0.00 O ATOM 880 CB THR A 63 -0.960 5.152 -5.503 1.00 0.00 C ATOM 881 OG1 THR A 63 -1.097 3.956 -6.279 1.00 0.00 O ATOM 882 CG2 THR A 63 0.477 5.647 -5.573 1.00 0.00 C ATOM 0 H THR A 63 -0.265 3.118 -3.853 1.00 0.00 H new ATOM 0 HA THR A 63 -1.376 5.825 -3.494 1.00 0.00 H new ATOM 0 HB THR A 63 -1.613 5.924 -5.909 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.832 4.135 -7.205 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.749 5.829 -6.613 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.571 6.573 -5.006 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.142 4.894 -5.151 1.00 0.00 H new ATOM 890 N ALA A 64 -2.870 2.983 -4.230 1.00 0.00 N ATOM 891 CA ALA A 64 -4.156 2.296 -4.236 1.00 0.00 C ATOM 892 C ALA A 64 -3.999 0.833 -3.838 1.00 0.00 C ATOM 893 O ALA A 64 -2.886 0.361 -3.600 1.00 0.00 O ATOM 894 CB ALA A 64 -4.805 2.405 -5.608 1.00 0.00 C ATOM 0 H ALA A 64 -2.066 2.376 -4.390 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.801 2.778 -3.501 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.764 1.888 -5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.961 3.455 -5.854 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.155 1.950 -6.355 1.00 0.00 H new ATOM 900 N ILE A 65 -5.118 0.120 -3.766 1.00 0.00 N ATOM 901 CA ILE A 65 -5.103 -1.290 -3.396 1.00 0.00 C ATOM 902 C ILE A 65 -6.273 -2.036 -4.028 1.00 0.00 C ATOM 903 O ILE A 65 -7.430 -1.811 -3.674 1.00 0.00 O ATOM 904 CB ILE A 65 -5.158 -1.472 -1.868 1.00 0.00 C ATOM 905 CG1 ILE A 65 -3.851 -0.998 -1.229 1.00 0.00 C ATOM 906 CG2 ILE A 65 -5.428 -2.927 -1.517 1.00 0.00 C ATOM 907 CD1 ILE A 65 -3.828 -1.140 0.277 1.00 0.00 C ATOM 0 H ILE A 65 -6.046 0.496 -3.959 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.166 -1.704 -3.769 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.974 -0.866 -1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.022 -1.566 -1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.687 0.048 -1.490 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.464 -3.039 -0.433 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.382 -3.234 -1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.632 -3.552 -1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.872 -0.785 0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.635 -0.550 0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.960 -2.188 0.546 1.00 0.00 H new ATOM 919 N ASN A 66 -5.963 -2.926 -4.965 1.00 0.00 N ATOM 920 CA ASN A 66 -6.990 -3.708 -5.646 1.00 0.00 C ATOM 921 C ASN A 66 -7.963 -2.797 -6.389 1.00 0.00 C ATOM 922 O ASN A 66 -9.139 -3.123 -6.542 1.00 0.00 O ATOM 923 CB ASN A 66 -7.751 -4.575 -4.641 1.00 0.00 C ATOM 924 CG ASN A 66 -6.969 -5.809 -4.234 1.00 0.00 C ATOM 925 OD1 ASN A 66 -6.490 -6.562 -5.082 1.00 0.00 O ATOM 926 ND2 ASN A 66 -6.838 -6.023 -2.930 1.00 0.00 N ATOM 0 H ASN A 66 -5.010 -3.124 -5.270 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.498 -4.354 -6.373 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.979 -3.984 -3.754 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.704 -4.879 -5.075 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.324 -6.838 -2.596 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.252 -5.372 -2.262 1.00 0.00 H new ATOM 933 N GLY A 67 -7.462 -1.655 -6.848 1.00 0.00 N ATOM 934 CA GLY A 67 -8.300 -0.715 -7.570 1.00 0.00 C ATOM 935 C GLY A 67 -9.030 0.240 -6.646 1.00 0.00 C ATOM 936 O GLY A 67 -10.157 0.648 -6.926 1.00 0.00 O ATOM 0 H GLY A 67 -6.491 -1.364 -6.733 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.684 -0.144 -8.265 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.027 -1.265 -8.167 1.00 0.00 H new ATOM 940 N THR A 68 -8.387 0.597 -5.539 1.00 0.00 N ATOM 941 CA THR A 68 -8.982 1.507 -4.568 1.00 0.00 C ATOM 942 C THR A 68 -8.068 2.696 -4.297 1.00 0.00 C ATOM 943 O THR A 68 -7.153 2.614 -3.478 1.00 0.00 O ATOM 944 CB THR A 68 -9.283 0.791 -3.238 1.00 0.00 C ATOM 945 OG1 THR A 68 -10.233 -0.259 -3.451 1.00 0.00 O ATOM 946 CG2 THR A 68 -9.825 1.770 -2.208 1.00 0.00 C ATOM 0 H THR A 68 -7.453 0.269 -5.292 1.00 0.00 H new ATOM 0 HA THR A 68 -9.917 1.863 -5.000 1.00 0.00 H new ATOM 0 HB THR A 68 -8.353 0.367 -2.860 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.418 -0.710 -2.601 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.030 1.242 -1.277 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.088 2.552 -2.027 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.746 2.218 -2.581 1.00 0.00 H new ATOM 954 N SER A 69 -8.322 3.802 -4.989 1.00 0.00 N ATOM 955 CA SER A 69 -7.519 5.008 -4.825 1.00 0.00 C ATOM 956 C SER A 69 -7.481 5.440 -3.362 1.00 0.00 C ATOM 957 O SER A 69 -8.458 5.970 -2.832 1.00 0.00 O ATOM 958 CB SER A 69 -8.080 6.141 -5.687 1.00 0.00 C ATOM 959 OG SER A 69 -9.497 6.134 -5.681 1.00 0.00 O ATOM 0 H SER A 69 -9.078 3.888 -5.669 1.00 0.00 H new ATOM 0 HA SER A 69 -6.502 4.784 -5.147 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.717 7.099 -5.315 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.717 6.038 -6.710 1.00 0.00 H new ATOM 0 HG SER A 69 -9.820 6.076 -4.758 1.00 0.00 H new ATOM 965 N LEU A 70 -6.345 5.208 -2.713 1.00 0.00 N ATOM 966 CA LEU A 70 -6.176 5.572 -1.311 1.00 0.00 C ATOM 967 C LEU A 70 -5.513 6.939 -1.179 1.00 0.00 C ATOM 968 O LEU A 70 -5.690 7.633 -0.177 1.00 0.00 O ATOM 969 CB LEU A 70 -5.341 4.515 -0.586 1.00 0.00 C ATOM 970 CG LEU A 70 -6.024 3.168 -0.347 1.00 0.00 C ATOM 971 CD1 LEU A 70 -5.175 2.293 0.562 1.00 0.00 C ATOM 972 CD2 LEU A 70 -7.410 3.371 0.248 1.00 0.00 C ATOM 0 H LEU A 70 -5.527 4.769 -3.136 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.164 5.622 -0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.432 4.342 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.035 4.921 0.378 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.133 2.662 -1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.677 1.339 0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.204 2.120 0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.034 2.793 1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.881 2.402 0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.324 3.898 1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.018 3.959 -0.439 1.00 0.00 H new ATOM 984 N VAL A 71 -4.749 7.321 -2.198 1.00 0.00 N ATOM 985 CA VAL A 71 -4.061 8.607 -2.197 1.00 0.00 C ATOM 986 C VAL A 71 -5.037 9.752 -1.952 1.00 0.00 C ATOM 987 O VAL A 71 -5.809 10.124 -2.835 1.00 0.00 O ATOM 988 CB VAL A 71 -3.326 8.850 -3.528 1.00 0.00 C ATOM 989 CG1 VAL A 71 -4.264 8.629 -4.705 1.00 0.00 C ATOM 990 CG2 VAL A 71 -2.736 10.252 -3.562 1.00 0.00 C ATOM 0 H VAL A 71 -4.591 6.759 -3.034 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.332 8.576 -1.388 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.508 8.134 -3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.727 8.805 -5.637 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.634 7.604 -4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.105 9.319 -4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.220 10.407 -4.510 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.536 10.986 -3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.029 10.369 -2.741 1.00 0.00 H new ATOM 1000 N GLY A 72 -4.997 10.309 -0.745 1.00 0.00 N ATOM 1001 CA GLY A 72 -5.883 11.407 -0.404 1.00 0.00 C ATOM 1002 C GLY A 72 -6.899 11.025 0.653 1.00 0.00 C ATOM 1003 O GLY A 72 -8.006 11.565 0.686 1.00 0.00 O ATOM 0 H GLY A 72 -4.367 10.019 0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.291 12.250 -0.047 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.405 11.741 -1.301 1.00 0.00 H new ATOM 1007 N LEU A 73 -6.526 10.090 1.521 1.00 0.00 N ATOM 1008 CA LEU A 73 -7.414 9.635 2.584 1.00 0.00 C ATOM 1009 C LEU A 73 -6.649 9.448 3.890 1.00 0.00 C ATOM 1010 O LEU A 73 -5.432 9.263 3.904 1.00 0.00 O ATOM 1011 CB LEU A 73 -8.091 8.323 2.184 1.00 0.00 C ATOM 1012 CG LEU A 73 -9.287 8.446 1.239 1.00 0.00 C ATOM 1013 CD1 LEU A 73 -9.678 7.081 0.692 1.00 0.00 C ATOM 1014 CD2 LEU A 73 -10.465 9.094 1.951 1.00 0.00 C ATOM 0 H LEU A 73 -5.614 9.633 1.509 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.177 10.398 2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.346 7.682 1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.421 7.816 3.091 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.000 9.082 0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.531 7.188 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.838 6.654 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.946 6.421 1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.307 9.173 1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.752 8.484 2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.181 10.089 2.293 1.00 0.00 H new ATOM 1026 N PRO A 74 -7.377 9.494 5.015 1.00 0.00 N ATOM 1027 CA PRO A 74 -6.788 9.328 6.347 1.00 0.00 C ATOM 1028 C PRO A 74 -6.312 7.901 6.598 1.00 0.00 C ATOM 1029 O PRO A 74 -6.923 6.941 6.128 1.00 0.00 O ATOM 1030 CB PRO A 74 -7.940 9.681 7.291 1.00 0.00 C ATOM 1031 CG PRO A 74 -9.174 9.399 6.505 1.00 0.00 C ATOM 1032 CD PRO A 74 -8.833 9.710 5.074 1.00 0.00 C ATOM 0 HA PRO A 74 -5.903 9.950 6.481 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.904 9.081 8.201 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.895 10.726 7.596 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.478 8.358 6.616 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.006 10.013 6.850 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.365 9.056 4.383 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -9.098 10.734 4.811 1.00 0.00 H new ATOM 1040 N LEU A 75 -5.218 7.769 7.339 1.00 0.00 N ATOM 1041 CA LEU A 75 -4.660 6.458 7.653 1.00 0.00 C ATOM 1042 C LEU A 75 -5.767 5.444 7.917 1.00 0.00 C ATOM 1043 O LEU A 75 -5.746 4.334 7.386 1.00 0.00 O ATOM 1044 CB LEU A 75 -3.737 6.553 8.870 1.00 0.00 C ATOM 1045 CG LEU A 75 -3.239 5.224 9.439 1.00 0.00 C ATOM 1046 CD1 LEU A 75 -2.241 4.578 8.490 1.00 0.00 C ATOM 1047 CD2 LEU A 75 -2.616 5.431 10.811 1.00 0.00 C ATOM 0 H LEU A 75 -4.699 8.554 7.734 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.082 6.121 6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.871 7.156 8.598 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.264 7.089 9.660 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.092 4.555 9.547 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.897 3.633 8.911 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.720 4.394 7.528 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.389 5.244 8.349 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.267 4.474 11.200 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.774 6.118 10.728 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.360 5.849 11.489 1.00 0.00 H new ATOM 1059 N ALA A 76 -6.736 5.834 8.740 1.00 0.00 N ATOM 1060 CA ALA A 76 -7.854 4.960 9.072 1.00 0.00 C ATOM 1061 C ALA A 76 -8.373 4.238 7.833 1.00 0.00 C ATOM 1062 O ALA A 76 -8.470 3.012 7.812 1.00 0.00 O ATOM 1063 CB ALA A 76 -8.972 5.759 9.727 1.00 0.00 C ATOM 0 H ALA A 76 -6.769 6.749 9.189 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.499 4.208 9.776 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.801 5.094 9.970 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.600 6.224 10.640 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.317 6.532 9.041 1.00 0.00 H new ATOM 1069 N ALA A 77 -8.707 5.008 6.802 1.00 0.00 N ATOM 1070 CA ALA A 77 -9.215 4.441 5.559 1.00 0.00 C ATOM 1071 C ALA A 77 -8.302 3.331 5.048 1.00 0.00 C ATOM 1072 O ALA A 77 -8.756 2.222 4.766 1.00 0.00 O ATOM 1073 CB ALA A 77 -9.366 5.529 4.506 1.00 0.00 C ATOM 0 H ALA A 77 -8.635 6.025 6.803 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.194 4.006 5.760 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.746 5.092 3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.064 6.286 4.863 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.396 5.989 4.317 1.00 0.00 H new ATOM 1079 N CYS A 78 -7.015 3.638 4.930 1.00 0.00 N ATOM 1080 CA CYS A 78 -6.038 2.666 4.452 1.00 0.00 C ATOM 1081 C CYS A 78 -5.975 1.457 5.379 1.00 0.00 C ATOM 1082 O CYS A 78 -5.836 0.321 4.925 1.00 0.00 O ATOM 1083 CB CYS A 78 -4.657 3.312 4.341 1.00 0.00 C ATOM 1084 SG CYS A 78 -4.612 4.784 3.291 1.00 0.00 S ATOM 0 H CYS A 78 -6.624 4.552 5.159 1.00 0.00 H new ATOM 0 HA CYS A 78 -6.352 2.327 3.465 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -4.312 3.581 5.340 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -3.955 2.577 3.948 1.00 0.00 H new ATOM 0 HG CYS A 78 -3.402 5.259 3.262 1.00 0.00 H new ATOM 1090 N GLN A 79 -6.076 1.710 6.680 1.00 0.00 N ATOM 1091 CA GLN A 79 -6.027 0.642 7.672 1.00 0.00 C ATOM 1092 C GLN A 79 -7.192 -0.326 7.487 1.00 0.00 C ATOM 1093 O GLN A 79 -7.042 -1.534 7.664 1.00 0.00 O ATOM 1094 CB GLN A 79 -6.054 1.227 9.085 1.00 0.00 C ATOM 1095 CG GLN A 79 -4.683 1.631 9.602 1.00 0.00 C ATOM 1096 CD GLN A 79 -4.635 1.730 11.114 1.00 0.00 C ATOM 1097 OE1 GLN A 79 -5.633 2.051 11.758 1.00 0.00 O ATOM 1098 NE2 GLN A 79 -3.470 1.453 11.689 1.00 0.00 N ATOM 0 H GLN A 79 -6.192 2.645 7.072 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.096 0.093 7.532 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.709 2.098 9.096 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.488 0.494 9.765 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.944 0.904 9.266 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.405 2.592 9.170 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.668 1.191 11.116 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.378 1.502 12.704 1.00 0.00 H new ATOM 1107 N ALA A 80 -8.353 0.215 7.131 1.00 0.00 N ATOM 1108 CA ALA A 80 -9.543 -0.601 6.921 1.00 0.00 C ATOM 1109 C ALA A 80 -9.519 -1.263 5.548 1.00 0.00 C ATOM 1110 O ALA A 80 -10.062 -2.352 5.364 1.00 0.00 O ATOM 1111 CB ALA A 80 -10.797 0.246 7.079 1.00 0.00 C ATOM 0 H ALA A 80 -8.495 1.214 6.982 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.552 -1.388 7.675 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.678 -0.375 6.920 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.827 0.668 8.084 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.785 1.053 6.347 1.00 0.00 H new ATOM 1117 N ALA A 81 -8.886 -0.599 4.586 1.00 0.00 N ATOM 1118 CA ALA A 81 -8.791 -1.124 3.230 1.00 0.00 C ATOM 1119 C ALA A 81 -7.750 -2.235 3.144 1.00 0.00 C ATOM 1120 O ALA A 81 -7.923 -3.206 2.407 1.00 0.00 O ATOM 1121 CB ALA A 81 -8.455 -0.007 2.253 1.00 0.00 C ATOM 0 H ALA A 81 -8.431 0.304 4.721 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.759 -1.547 2.962 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.387 -0.414 1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.236 0.753 2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.501 0.442 2.528 1.00 0.00 H new ATOM 1127 N VAL A 82 -6.668 -2.086 3.901 1.00 0.00 N ATOM 1128 CA VAL A 82 -5.598 -3.077 3.910 1.00 0.00 C ATOM 1129 C VAL A 82 -5.991 -4.301 4.730 1.00 0.00 C ATOM 1130 O VAL A 82 -5.425 -5.381 4.561 1.00 0.00 O ATOM 1131 CB VAL A 82 -4.293 -2.489 4.477 1.00 0.00 C ATOM 1132 CG1 VAL A 82 -4.429 -2.228 5.970 1.00 0.00 C ATOM 1133 CG2 VAL A 82 -3.123 -3.420 4.195 1.00 0.00 C ATOM 0 H VAL A 82 -6.509 -1.288 4.516 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.433 -3.375 2.875 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.098 -1.537 3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.497 -1.813 6.353 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.240 -1.521 6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.648 -3.164 6.484 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.209 -2.989 4.603 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.307 -4.388 4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.014 -3.551 3.118 1.00 0.00 H new ATOM 1143 N ARG A 83 -6.963 -4.124 5.618 1.00 0.00 N ATOM 1144 CA ARG A 83 -7.431 -5.214 6.466 1.00 0.00 C ATOM 1145 C ARG A 83 -8.520 -6.020 5.763 1.00 0.00 C ATOM 1146 O ARG A 83 -8.521 -7.250 5.809 1.00 0.00 O ATOM 1147 CB ARG A 83 -7.963 -4.666 7.791 1.00 0.00 C ATOM 1148 CG ARG A 83 -6.873 -4.366 8.808 1.00 0.00 C ATOM 1149 CD ARG A 83 -7.440 -3.699 10.051 1.00 0.00 C ATOM 1150 NE ARG A 83 -8.102 -4.656 10.933 1.00 0.00 N ATOM 1151 CZ ARG A 83 -8.967 -4.308 11.878 1.00 0.00 C ATOM 1152 NH1 ARG A 83 -9.274 -3.032 12.064 1.00 0.00 N ATOM 1153 NH2 ARG A 83 -9.529 -5.238 12.641 1.00 0.00 N ATOM 0 H ARG A 83 -7.442 -3.236 5.769 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.586 -5.873 6.667 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.528 -3.754 7.597 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.659 -5.387 8.219 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.370 -5.292 9.088 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.121 -3.718 8.357 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.636 -3.202 10.594 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.150 -2.927 9.756 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.888 -5.646 10.817 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.845 -2.314 11.480 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.939 -2.768 12.791 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.296 -6.221 12.501 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.193 -4.969 13.367 1.00 0.00 H new ATOM 1167 N GLU A 84 -9.444 -5.318 5.115 1.00 0.00 N ATOM 1168 CA GLU A 84 -10.538 -5.970 4.404 1.00 0.00 C ATOM 1169 C GLU A 84 -10.005 -6.980 3.393 1.00 0.00 C ATOM 1170 O GLU A 84 -10.620 -8.020 3.152 1.00 0.00 O ATOM 1171 CB GLU A 84 -11.405 -4.929 3.693 1.00 0.00 C ATOM 1172 CG GLU A 84 -10.921 -4.587 2.294 1.00 0.00 C ATOM 1173 CD GLU A 84 -11.842 -3.618 1.579 1.00 0.00 C ATOM 1174 OE1 GLU A 84 -13.075 -3.747 1.735 1.00 0.00 O ATOM 1175 OE2 GLU A 84 -11.331 -2.731 0.864 1.00 0.00 O ATOM 0 H GLU A 84 -9.457 -4.299 5.068 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.147 -6.502 5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.428 -5.300 3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.430 -4.019 4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.922 -4.155 2.355 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.838 -5.503 1.708 1.00 0.00 H new ATOM 1182 N THR A 85 -8.855 -6.667 2.802 1.00 0.00 N ATOM 1183 CA THR A 85 -8.239 -7.545 1.815 1.00 0.00 C ATOM 1184 C THR A 85 -7.936 -8.915 2.412 1.00 0.00 C ATOM 1185 O THR A 85 -7.953 -9.927 1.711 1.00 0.00 O ATOM 1186 CB THR A 85 -6.936 -6.939 1.260 1.00 0.00 C ATOM 1187 OG1 THR A 85 -6.125 -6.454 2.335 1.00 0.00 O ATOM 1188 CG2 THR A 85 -7.237 -5.805 0.292 1.00 0.00 C ATOM 0 H THR A 85 -8.332 -5.812 2.990 1.00 0.00 H new ATOM 0 HA THR A 85 -8.954 -7.657 1.000 1.00 0.00 H new ATOM 0 HB THR A 85 -6.397 -7.720 0.723 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.711 -5.604 2.075 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.302 -5.392 -0.087 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.830 -6.185 -0.540 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.795 -5.024 0.809 1.00 0.00 H new ATOM 1196 N LYS A 86 -7.658 -8.941 3.711 1.00 0.00 N ATOM 1197 CA LYS A 86 -7.352 -10.187 4.403 1.00 0.00 C ATOM 1198 C LYS A 86 -8.283 -11.306 3.947 1.00 0.00 C ATOM 1199 O LYS A 86 -7.849 -12.438 3.733 1.00 0.00 O ATOM 1200 CB LYS A 86 -7.471 -9.995 5.917 1.00 0.00 C ATOM 1201 CG LYS A 86 -6.917 -11.158 6.723 1.00 0.00 C ATOM 1202 CD LYS A 86 -7.115 -10.947 8.214 1.00 0.00 C ATOM 1203 CE LYS A 86 -6.714 -12.180 9.010 1.00 0.00 C ATOM 1204 NZ LYS A 86 -7.266 -12.153 10.392 1.00 0.00 N ATOM 0 H LYS A 86 -7.638 -8.113 4.306 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.328 -10.468 4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.945 -9.084 6.202 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.520 -9.852 6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.409 -12.081 6.417 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.855 -11.277 6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.524 -10.092 8.543 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.160 -10.708 8.413 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.066 -13.074 8.496 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.627 -12.245 9.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.970 -13.010 10.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.910 -11.313 10.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.305 -12.116 10.350 1.00 0.00 H new ATOM 1218 N SER A 87 -9.563 -10.981 3.799 1.00 0.00 N ATOM 1219 CA SER A 87 -10.555 -11.959 3.370 1.00 0.00 C ATOM 1220 C SER A 87 -10.207 -12.519 1.994 1.00 0.00 C ATOM 1221 O SER A 87 -10.292 -13.725 1.764 1.00 0.00 O ATOM 1222 CB SER A 87 -11.947 -11.325 3.338 1.00 0.00 C ATOM 1223 OG SER A 87 -12.954 -12.292 3.585 1.00 0.00 O ATOM 0 H SER A 87 -9.937 -10.048 3.970 1.00 0.00 H new ATOM 0 HA SER A 87 -10.554 -12.779 4.088 1.00 0.00 H new ATOM 0 HB2 SER A 87 -12.007 -10.534 4.085 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.116 -10.860 2.367 1.00 0.00 H new ATOM 0 HG SER A 87 -13.834 -11.861 3.561 1.00 0.00 H new ATOM 1229 N GLN A 88 -9.816 -11.633 1.084 1.00 0.00 N ATOM 1230 CA GLN A 88 -9.455 -12.037 -0.270 1.00 0.00 C ATOM 1231 C GLN A 88 -8.149 -12.824 -0.273 1.00 0.00 C ATOM 1232 O GLN A 88 -7.452 -12.897 0.740 1.00 0.00 O ATOM 1233 CB GLN A 88 -9.329 -10.811 -1.175 1.00 0.00 C ATOM 1234 CG GLN A 88 -10.409 -9.767 -0.939 1.00 0.00 C ATOM 1235 CD GLN A 88 -11.709 -10.372 -0.447 1.00 0.00 C ATOM 1236 OE1 GLN A 88 -12.116 -11.444 -0.896 1.00 0.00 O ATOM 1237 NE2 GLN A 88 -12.368 -9.688 0.480 1.00 0.00 N ATOM 0 H GLN A 88 -9.741 -10.631 1.259 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.246 -12.681 -0.653 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.352 -10.353 -1.019 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.367 -11.133 -2.216 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.052 -9.040 -0.210 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.593 -9.225 -1.866 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.994 -8.804 0.824 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.249 -10.047 0.849 1.00 0.00 H new ATOM 1246 N THR A 89 -7.820 -13.412 -1.419 1.00 0.00 N ATOM 1247 CA THR A 89 -6.598 -14.194 -1.555 1.00 0.00 C ATOM 1248 C THR A 89 -5.613 -13.516 -2.500 1.00 0.00 C ATOM 1249 O THR A 89 -4.543 -14.052 -2.786 1.00 0.00 O ATOM 1250 CB THR A 89 -6.894 -15.614 -2.072 1.00 0.00 C ATOM 1251 OG1 THR A 89 -7.823 -15.555 -3.160 1.00 0.00 O ATOM 1252 CG2 THR A 89 -7.460 -16.487 -0.962 1.00 0.00 C ATOM 0 H THR A 89 -8.384 -13.361 -2.267 1.00 0.00 H new ATOM 0 HA THR A 89 -6.155 -14.262 -0.561 1.00 0.00 H new ATOM 0 HB THR A 89 -5.958 -16.054 -2.417 1.00 0.00 H new ATOM 0 HG1 THR A 89 -8.005 -16.462 -3.484 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.661 -17.485 -1.351 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.738 -16.553 -0.148 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.386 -16.049 -0.591 1.00 0.00 H new ATOM 1260 N SER A 90 -5.982 -12.334 -2.983 1.00 0.00 N ATOM 1261 CA SER A 90 -5.132 -11.584 -3.900 1.00 0.00 C ATOM 1262 C SER A 90 -5.062 -10.114 -3.497 1.00 0.00 C ATOM 1263 O SER A 90 -6.065 -9.518 -3.103 1.00 0.00 O ATOM 1264 CB SER A 90 -5.656 -11.707 -5.332 1.00 0.00 C ATOM 1265 OG SER A 90 -7.027 -11.358 -5.405 1.00 0.00 O ATOM 0 H SER A 90 -6.864 -11.875 -2.755 1.00 0.00 H new ATOM 0 HA SER A 90 -4.128 -12.005 -3.851 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.077 -11.060 -5.991 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.518 -12.728 -5.687 1.00 0.00 H new ATOM 0 HG SER A 90 -7.337 -11.443 -6.331 1.00 0.00 H new ATOM 1271 N VAL A 91 -3.870 -9.535 -3.598 1.00 0.00 N ATOM 1272 CA VAL A 91 -3.667 -8.135 -3.245 1.00 0.00 C ATOM 1273 C VAL A 91 -2.685 -7.464 -4.199 1.00 0.00 C ATOM 1274 O VAL A 91 -1.516 -7.845 -4.273 1.00 0.00 O ATOM 1275 CB VAL A 91 -3.147 -7.989 -1.803 1.00 0.00 C ATOM 1276 CG1 VAL A 91 -2.761 -6.545 -1.518 1.00 0.00 C ATOM 1277 CG2 VAL A 91 -4.190 -8.477 -0.809 1.00 0.00 C ATOM 0 H VAL A 91 -3.030 -10.014 -3.922 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.637 -7.645 -3.324 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.256 -8.607 -1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.396 -6.461 -0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.978 -6.235 -2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.633 -5.903 -1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.806 -8.367 0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.100 -7.888 -0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.412 -9.527 -1.001 1.00 0.00 H new ATOM 1287 N THR A 92 -3.166 -6.462 -4.928 1.00 0.00 N ATOM 1288 CA THR A 92 -2.331 -5.738 -5.878 1.00 0.00 C ATOM 1289 C THR A 92 -1.936 -4.371 -5.332 1.00 0.00 C ATOM 1290 O THR A 92 -2.751 -3.448 -5.292 1.00 0.00 O ATOM 1291 CB THR A 92 -3.048 -5.552 -7.228 1.00 0.00 C ATOM 1292 OG1 THR A 92 -3.593 -6.800 -7.670 1.00 0.00 O ATOM 1293 CG2 THR A 92 -2.091 -5.010 -8.279 1.00 0.00 C ATOM 0 H THR A 92 -4.130 -6.133 -4.878 1.00 0.00 H new ATOM 0 HA THR A 92 -1.434 -6.338 -6.032 1.00 0.00 H new ATOM 0 HB THR A 92 -3.855 -4.833 -7.089 1.00 0.00 H new ATOM 0 HG1 THR A 92 -4.048 -6.672 -8.528 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.620 -4.887 -9.224 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.701 -4.046 -7.953 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.265 -5.708 -8.414 1.00 0.00 H new ATOM 1301 N LEU A 93 -0.681 -4.246 -4.914 1.00 0.00 N ATOM 1302 CA LEU A 93 -0.178 -2.989 -4.371 1.00 0.00 C ATOM 1303 C LEU A 93 0.336 -2.081 -5.484 1.00 0.00 C ATOM 1304 O LEU A 93 0.958 -2.546 -6.440 1.00 0.00 O ATOM 1305 CB LEU A 93 0.939 -3.258 -3.361 1.00 0.00 C ATOM 1306 CG LEU A 93 0.536 -4.032 -2.105 1.00 0.00 C ATOM 1307 CD1 LEU A 93 1.749 -4.290 -1.225 1.00 0.00 C ATOM 1308 CD2 LEU A 93 -0.534 -3.274 -1.333 1.00 0.00 C ATOM 0 H LEU A 93 0.006 -4.999 -4.941 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.002 -2.484 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.732 -3.810 -3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.362 -2.302 -3.054 1.00 0.00 H new ATOM 0 HG LEU A 93 0.123 -4.994 -2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.443 -4.842 -0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.483 -4.874 -1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.191 -3.339 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.809 -3.839 -0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.148 -2.298 -1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.413 -3.141 -1.964 1.00 0.00 H new ATOM 1320 N SER A 94 0.073 -0.785 -5.353 1.00 0.00 N ATOM 1321 CA SER A 94 0.507 0.188 -6.349 1.00 0.00 C ATOM 1322 C SER A 94 1.383 1.262 -5.712 1.00 0.00 C ATOM 1323 O SER A 94 0.942 1.990 -4.822 1.00 0.00 O ATOM 1324 CB SER A 94 -0.704 0.834 -7.023 1.00 0.00 C ATOM 1325 OG SER A 94 -0.406 1.210 -8.356 1.00 0.00 O ATOM 0 H SER A 94 -0.439 -0.384 -4.567 1.00 0.00 H new ATOM 0 HA SER A 94 1.095 -0.336 -7.102 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.542 0.137 -7.017 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.015 1.711 -6.455 1.00 0.00 H new ATOM 0 HG SER A 94 -1.197 1.619 -8.765 1.00 0.00 H new ATOM 1331 N ILE A 95 2.625 1.356 -6.175 1.00 0.00 N ATOM 1332 CA ILE A 95 3.562 2.342 -5.653 1.00 0.00 C ATOM 1333 C ILE A 95 4.360 2.992 -6.778 1.00 0.00 C ATOM 1334 O ILE A 95 4.295 2.561 -7.929 1.00 0.00 O ATOM 1335 CB ILE A 95 4.540 1.710 -4.644 1.00 0.00 C ATOM 1336 CG1 ILE A 95 5.505 0.763 -5.361 1.00 0.00 C ATOM 1337 CG2 ILE A 95 3.775 0.971 -3.556 1.00 0.00 C ATOM 1338 CD1 ILE A 95 6.758 1.445 -5.865 1.00 0.00 C ATOM 0 H ILE A 95 3.005 0.761 -6.911 1.00 0.00 H new ATOM 0 HA ILE A 95 2.969 3.103 -5.145 1.00 0.00 H new ATOM 0 HB ILE A 95 5.121 2.505 -4.176 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.787 -0.040 -4.680 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.989 0.300 -6.203 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.480 0.530 -2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.125 1.670 -3.030 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.172 0.183 -4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.395 0.714 -6.362 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.486 2.229 -6.571 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.296 1.884 -5.025 1.00 0.00 H new ATOM 1350 N VAL A 96 5.115 4.031 -6.436 1.00 0.00 N ATOM 1351 CA VAL A 96 5.929 4.740 -7.417 1.00 0.00 C ATOM 1352 C VAL A 96 7.281 4.061 -7.603 1.00 0.00 C ATOM 1353 O VAL A 96 8.021 3.854 -6.641 1.00 0.00 O ATOM 1354 CB VAL A 96 6.155 6.207 -7.003 1.00 0.00 C ATOM 1355 CG1 VAL A 96 6.851 6.974 -8.117 1.00 0.00 C ATOM 1356 CG2 VAL A 96 4.835 6.866 -6.634 1.00 0.00 C ATOM 0 H VAL A 96 5.180 4.401 -5.488 1.00 0.00 H new ATOM 0 HA VAL A 96 5.382 4.716 -8.359 1.00 0.00 H new ATOM 0 HB VAL A 96 6.800 6.224 -6.125 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.002 8.008 -7.807 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.816 6.513 -8.328 1.00 0.00 H new ATOM 0 HG13 VAL A 96 6.234 6.951 -9.015 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.014 7.901 -6.344 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.163 6.840 -7.492 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.381 6.329 -5.801 1.00 0.00 H new