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= -0.437 K(o=-2,f=-3.2!) USER MOD Set 1.2: A 66 ASN : amide:sc= -1.55! C(o=-2!,f=-5.9!) USER MOD Set 1.3: A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -128:sc= -1.47 (180deg=-2.54!) USER MOD Single : A 38 THR OG1 : rot -37:sc= 0.00687 USER MOD Single : A 43 ASN : amide:sc= -0.719 X(o=-0.72,f=-0.72) USER MOD Single : A 46 HIS : no HD1:sc= -0.0703 X(o=-0.07,f=-0.54) USER MOD Single : A 53 SER OG : rot -90:sc= 0.635 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -63:sc= 1 USER MOD Single : A 68 THR OG1 : rot 84:sc= 0.123 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot 160:sc= -1.34 USER MOD Single : A 79 GLN : amide:sc= -0.0091 K(o=-0.0091,f=-1.8) USER MOD Single : A 85 THR OG1 : rot -130:sc= -0.565 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= -2.39! C(o=-2.4!,f=-3!) 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 103:sc= 0.00516 USER MOD ----------------------------------------------------------------- ATOM 103 N ARG A 11 3.628 1.170 -10.390 1.00 0.00 N ATOM 104 CA ARG A 11 4.032 -0.216 -10.595 1.00 0.00 C ATOM 105 C ARG A 11 2.987 -1.175 -10.031 1.00 0.00 C ATOM 106 O ARG A 11 2.658 -1.121 -8.846 1.00 0.00 O ATOM 107 CB ARG A 11 5.388 -0.477 -9.936 1.00 0.00 C ATOM 108 CG ARG A 11 6.003 -1.814 -10.318 1.00 0.00 C ATOM 109 CD ARG A 11 7.243 -2.113 -9.491 1.00 0.00 C ATOM 110 NE ARG A 11 8.393 -1.323 -9.923 1.00 0.00 N ATOM 111 CZ ARG A 11 9.626 -1.510 -9.466 1.00 0.00 C ATOM 112 NH1 ARG A 11 9.868 -2.455 -8.569 1.00 0.00 N ATOM 113 NH2 ARG A 11 10.620 -0.750 -9.908 1.00 0.00 N ATOM 0 HA ARG A 11 4.118 -0.389 -11.668 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.076 0.322 -10.212 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.270 -0.437 -8.853 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.269 -2.607 -10.175 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.263 -1.807 -11.376 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.036 -1.908 -8.441 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.483 -3.174 -9.567 1.00 0.00 H new ATOM 0 HE ARG A 11 8.241 -0.588 -10.613 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.106 -3.041 -8.228 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.816 -2.596 -8.220 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.437 -0.022 -10.599 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.567 -0.894 -9.557 1.00 0.00 H new ATOM 127 N GLU A 12 2.470 -2.050 -10.888 1.00 0.00 N ATOM 128 CA GLU A 12 1.463 -3.019 -10.474 1.00 0.00 C ATOM 129 C GLU A 12 2.116 -4.302 -9.969 1.00 0.00 C ATOM 130 O GLU A 12 2.777 -5.015 -10.725 1.00 0.00 O ATOM 131 CB GLU A 12 0.521 -3.337 -11.638 1.00 0.00 C ATOM 132 CG GLU A 12 -0.886 -3.704 -11.199 1.00 0.00 C ATOM 133 CD GLU A 12 -1.798 -2.497 -11.094 1.00 0.00 C ATOM 134 OE1 GLU A 12 -1.894 -1.738 -12.080 1.00 0.00 O ATOM 135 OE2 GLU A 12 -2.415 -2.312 -10.024 1.00 0.00 O ATOM 0 H GLU A 12 2.732 -2.107 -11.872 1.00 0.00 H new ATOM 0 HA GLU A 12 0.888 -2.580 -9.659 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.472 -2.473 -12.301 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.938 -4.161 -12.218 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.310 -4.415 -11.908 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.842 -4.206 -10.233 1.00 0.00 H new ATOM 142 N VAL A 13 1.927 -4.590 -8.685 1.00 0.00 N ATOM 143 CA VAL A 13 2.497 -5.787 -8.078 1.00 0.00 C ATOM 144 C VAL A 13 1.417 -6.634 -7.415 1.00 0.00 C ATOM 145 O VAL A 13 0.865 -6.257 -6.381 1.00 0.00 O ATOM 146 CB VAL A 13 3.569 -5.429 -7.031 1.00 0.00 C ATOM 147 CG1 VAL A 13 4.239 -6.687 -6.501 1.00 0.00 C ATOM 148 CG2 VAL A 13 4.596 -4.477 -7.624 1.00 0.00 C ATOM 0 H VAL A 13 1.384 -4.011 -8.045 1.00 0.00 H new ATOM 0 HA VAL A 13 2.961 -6.359 -8.881 1.00 0.00 H new ATOM 0 HB VAL A 13 3.082 -4.926 -6.195 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.993 -6.414 -5.763 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.491 -7.329 -6.036 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.714 -7.221 -7.324 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.345 -4.235 -6.870 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.080 -4.950 -8.478 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.100 -3.563 -7.949 1.00 0.00 H new ATOM 158 N HIS A 14 1.121 -7.782 -8.016 1.00 0.00 N ATOM 159 CA HIS A 14 0.107 -8.685 -7.483 1.00 0.00 C ATOM 160 C HIS A 14 0.719 -9.655 -6.476 1.00 0.00 C ATOM 161 O HIS A 14 1.865 -10.080 -6.625 1.00 0.00 O ATOM 162 CB HIS A 14 -0.560 -9.463 -8.618 1.00 0.00 C ATOM 163 CG HIS A 14 -0.972 -8.603 -9.773 1.00 0.00 C ATOM 164 ND1 HIS A 14 -0.068 -7.956 -10.589 1.00 0.00 N ATOM 165 CD2 HIS A 14 -2.199 -8.287 -10.248 1.00 0.00 C ATOM 166 CE1 HIS A 14 -0.721 -7.277 -11.514 1.00 0.00 C ATOM 167 NE2 HIS A 14 -2.016 -7.461 -11.330 1.00 0.00 N ATOM 0 H HIS A 14 1.569 -8.109 -8.872 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.646 -8.085 -6.972 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.127 -10.230 -8.974 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -1.438 -9.978 -8.228 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.146 -8.622 -9.850 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -0.273 -6.674 -12.289 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.759 -7.056 -11.899 1.00 0.00 H new ATOM 175 N LEU A 15 -0.053 -10.001 -5.452 1.00 0.00 N ATOM 176 CA LEU A 15 0.413 -10.920 -4.419 1.00 0.00 C ATOM 177 C LEU A 15 -0.532 -12.109 -4.282 1.00 0.00 C ATOM 178 O LEU A 15 -1.705 -12.026 -4.646 1.00 0.00 O ATOM 179 CB LEU A 15 0.534 -10.193 -3.079 1.00 0.00 C ATOM 180 CG LEU A 15 1.211 -8.823 -3.117 1.00 0.00 C ATOM 181 CD1 LEU A 15 0.924 -8.050 -1.839 1.00 0.00 C ATOM 182 CD2 LEU A 15 2.711 -8.974 -3.326 1.00 0.00 C ATOM 0 H LEU A 15 -1.004 -9.659 -5.315 1.00 0.00 H new ATOM 0 HA LEU A 15 1.394 -11.292 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.466 -10.070 -2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.089 -10.831 -2.391 1.00 0.00 H new ATOM 0 HG LEU A 15 0.803 -8.261 -3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.414 -7.077 -1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.152 -7.910 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.304 -8.608 -0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.176 -7.988 -3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.136 -9.555 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.897 -9.486 -4.270 1.00 0.00 H new ATOM 194 N GLU A 16 -0.014 -13.213 -3.754 1.00 0.00 N ATOM 195 CA GLU A 16 -0.813 -14.419 -3.569 1.00 0.00 C ATOM 196 C GLU A 16 -0.896 -14.794 -2.092 1.00 0.00 C ATOM 197 O GLU A 16 0.079 -15.257 -1.500 1.00 0.00 O ATOM 198 CB GLU A 16 -0.218 -15.580 -4.368 1.00 0.00 C ATOM 199 CG GLU A 16 -0.671 -15.616 -5.818 1.00 0.00 C ATOM 200 CD GLU A 16 -2.100 -16.098 -5.971 1.00 0.00 C ATOM 201 OE1 GLU A 16 -3.023 -15.265 -5.857 1.00 0.00 O ATOM 202 OE2 GLU A 16 -2.295 -17.310 -6.204 1.00 0.00 O ATOM 0 H GLU A 16 0.955 -13.298 -3.447 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.820 -14.216 -3.933 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.869 -15.511 -4.337 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.492 -16.519 -3.887 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.580 -14.619 -6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.008 -16.269 -6.386 1.00 0.00 H new ATOM 209 N LYS A 17 -2.069 -14.589 -1.501 1.00 0.00 N ATOM 210 CA LYS A 17 -2.283 -14.905 -0.094 1.00 0.00 C ATOM 211 C LYS A 17 -3.338 -15.996 0.065 1.00 0.00 C ATOM 212 O LYS A 17 -3.936 -16.440 -0.915 1.00 0.00 O ATOM 213 CB LYS A 17 -2.711 -13.651 0.672 1.00 0.00 C ATOM 214 CG LYS A 17 -4.208 -13.395 0.631 1.00 0.00 C ATOM 215 CD LYS A 17 -4.619 -12.334 1.638 1.00 0.00 C ATOM 216 CE LYS A 17 -4.487 -10.934 1.058 1.00 0.00 C ATOM 217 NZ LYS A 17 -4.500 -9.890 2.120 1.00 0.00 N ATOM 0 H LYS A 17 -2.886 -14.205 -1.976 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.342 -15.271 0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.395 -13.745 1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.192 -12.787 0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.497 -13.078 -0.371 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.743 -14.322 0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.650 -12.505 1.948 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.000 -12.419 2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.560 -10.862 0.490 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.304 -10.752 0.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.213 -9.169 1.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.733 -10.328 3.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.563 -9.443 2.179 1.00 0.00 H new ATOM 231 N ARG A 18 -3.561 -16.421 1.304 1.00 0.00 N ATOM 232 CA ARG A 18 -4.544 -17.459 1.589 1.00 0.00 C ATOM 233 C ARG A 18 -5.750 -16.879 2.322 1.00 0.00 C ATOM 234 O ARG A 18 -5.601 -16.089 3.255 1.00 0.00 O ATOM 235 CB ARG A 18 -3.912 -18.573 2.427 1.00 0.00 C ATOM 236 CG ARG A 18 -2.991 -19.484 1.632 1.00 0.00 C ATOM 237 CD ARG A 18 -3.774 -20.373 0.678 1.00 0.00 C ATOM 238 NE ARG A 18 -2.996 -21.531 0.246 1.00 0.00 N ATOM 239 CZ ARG A 18 -2.731 -22.571 1.027 1.00 0.00 C ATOM 240 NH1 ARG A 18 -3.179 -22.599 2.275 1.00 0.00 N ATOM 241 NH2 ARG A 18 -2.016 -23.588 0.561 1.00 0.00 N ATOM 0 H ARG A 18 -3.075 -16.063 2.126 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.883 -17.874 0.640 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.349 -18.125 3.246 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.704 -19.173 2.876 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.279 -18.881 1.068 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.412 -20.104 2.316 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.688 -20.712 1.166 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.075 -19.792 -0.194 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.636 -21.541 -0.708 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.729 -21.820 2.637 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.974 -23.400 2.873 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.670 -23.571 -0.398 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.813 -24.387 1.162 1.00 0.00 H new ATOM 255 N ARG A 19 -6.943 -17.276 1.894 1.00 0.00 N ATOM 256 CA ARG A 19 -8.175 -16.794 2.508 1.00 0.00 C ATOM 257 C ARG A 19 -7.982 -16.563 4.004 1.00 0.00 C ATOM 258 O ARG A 19 -7.676 -17.491 4.751 1.00 0.00 O ATOM 259 CB ARG A 19 -9.310 -17.794 2.277 1.00 0.00 C ATOM 260 CG ARG A 19 -10.634 -17.362 2.884 1.00 0.00 C ATOM 261 CD ARG A 19 -11.812 -17.995 2.160 1.00 0.00 C ATOM 262 NE ARG A 19 -13.087 -17.417 2.577 1.00 0.00 N ATOM 263 CZ ARG A 19 -14.258 -17.772 2.062 1.00 0.00 C ATOM 264 NH1 ARG A 19 -14.317 -18.699 1.115 1.00 0.00 N ATOM 265 NH2 ARG A 19 -15.375 -17.200 2.494 1.00 0.00 N ATOM 0 H ARG A 19 -7.083 -17.930 1.124 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.437 -15.844 2.042 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.442 -17.940 1.205 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.025 -18.758 2.697 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.661 -17.641 3.937 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.719 -16.276 2.839 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.689 -17.864 1.085 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.821 -19.068 2.351 1.00 0.00 H new ATOM 0 HE ARG A 19 -13.077 -16.701 3.304 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.461 -19.141 0.780 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -15.218 -18.969 0.721 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -15.334 -16.487 3.222 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -16.274 -17.473 2.098 1.00 0.00 H new ATOM 279 N GLY A 20 -8.163 -15.318 4.433 1.00 0.00 N ATOM 280 CA GLY A 20 -8.005 -14.987 5.837 1.00 0.00 C ATOM 281 C GLY A 20 -6.549 -14.893 6.250 1.00 0.00 C ATOM 282 O GLY A 20 -6.195 -15.229 7.379 1.00 0.00 O ATOM 0 H GLY A 20 -8.416 -14.533 3.833 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.499 -14.037 6.041 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.504 -15.743 6.444 1.00 0.00 H new ATOM 286 N GLU A 21 -5.704 -14.435 5.331 1.00 0.00 N ATOM 287 CA GLU A 21 -4.278 -14.300 5.606 1.00 0.00 C ATOM 288 C GLU A 21 -3.880 -12.831 5.708 1.00 0.00 C ATOM 289 O GLU A 21 -3.957 -12.086 4.731 1.00 0.00 O ATOM 290 CB GLU A 21 -3.458 -14.988 4.512 1.00 0.00 C ATOM 291 CG GLU A 21 -1.957 -14.881 4.719 1.00 0.00 C ATOM 292 CD GLU A 21 -1.478 -15.663 5.927 1.00 0.00 C ATOM 293 OE1 GLU A 21 -1.764 -15.232 7.063 1.00 0.00 O ATOM 294 OE2 GLU A 21 -0.817 -16.705 5.735 1.00 0.00 O ATOM 0 H GLU A 21 -5.982 -14.152 4.391 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.071 -14.781 6.562 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.736 -16.041 4.469 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.715 -14.551 3.547 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.444 -15.245 3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.684 -13.832 4.838 1.00 0.00 H new ATOM 301 N GLY A 22 -3.454 -12.420 6.899 1.00 0.00 N ATOM 302 CA GLY A 22 -3.052 -11.042 7.107 1.00 0.00 C ATOM 303 C GLY A 22 -2.119 -10.540 6.023 1.00 0.00 C ATOM 304 O GLY A 22 -0.997 -11.029 5.883 1.00 0.00 O ATOM 0 H GLY A 22 -3.380 -13.017 7.723 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.939 -10.409 7.140 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.560 -10.953 8.076 1.00 0.00 H new ATOM 308 N LEU A 23 -2.583 -9.562 5.252 1.00 0.00 N ATOM 309 CA LEU A 23 -1.782 -8.994 4.173 1.00 0.00 C ATOM 310 C LEU A 23 -0.319 -8.872 4.586 1.00 0.00 C ATOM 311 O LEU A 23 0.584 -9.093 3.780 1.00 0.00 O ATOM 312 CB LEU A 23 -2.328 -7.622 3.774 1.00 0.00 C ATOM 313 CG LEU A 23 -2.079 -7.194 2.328 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.544 -5.763 2.106 1.00 0.00 C ATOM 315 CD2 LEU A 23 -0.606 -7.339 1.975 1.00 0.00 C ATOM 0 H LEU A 23 -3.509 -9.146 5.354 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.843 -9.665 3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.403 -7.615 3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.890 -6.873 4.434 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.655 -7.847 1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.358 -5.477 1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.611 -5.690 2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.996 -5.095 2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.447 -7.030 0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.010 -6.711 2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.304 -8.380 2.093 1.00 0.00 H new ATOM 327 N GLY A 24 -0.093 -8.520 5.848 1.00 0.00 N ATOM 328 CA GLY A 24 1.262 -8.376 6.347 1.00 0.00 C ATOM 329 C GLY A 24 1.905 -7.073 5.913 1.00 0.00 C ATOM 330 O GLY A 24 2.952 -7.074 5.267 1.00 0.00 O ATOM 0 H GLY A 24 -0.824 -8.332 6.534 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.252 -8.428 7.436 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.867 -9.211 5.994 1.00 0.00 H new ATOM 334 N VAL A 25 1.275 -5.958 6.268 1.00 0.00 N ATOM 335 CA VAL A 25 1.791 -4.642 5.912 1.00 0.00 C ATOM 336 C VAL A 25 1.423 -3.603 6.965 1.00 0.00 C ATOM 337 O VAL A 25 0.246 -3.326 7.193 1.00 0.00 O ATOM 338 CB VAL A 25 1.255 -4.181 4.543 1.00 0.00 C ATOM 339 CG1 VAL A 25 2.077 -4.789 3.416 1.00 0.00 C ATOM 340 CG2 VAL A 25 -0.215 -4.543 4.397 1.00 0.00 C ATOM 0 H VAL A 25 0.406 -5.940 6.802 1.00 0.00 H new ATOM 0 HA VAL A 25 2.876 -4.732 5.859 1.00 0.00 H new ATOM 0 HB VAL A 25 1.346 -3.096 4.483 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.684 -4.452 2.457 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.116 -4.475 3.513 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.020 -5.876 3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.577 -4.210 3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.333 -5.624 4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.790 -4.055 5.184 1.00 0.00 H new ATOM 350 N ALA A 26 2.438 -3.031 7.604 1.00 0.00 N ATOM 351 CA ALA A 26 2.222 -2.021 8.632 1.00 0.00 C ATOM 352 C ALA A 26 2.446 -0.617 8.078 1.00 0.00 C ATOM 353 O ALA A 26 3.580 -0.218 7.811 1.00 0.00 O ATOM 354 CB ALA A 26 3.136 -2.273 9.821 1.00 0.00 C ATOM 0 H ALA A 26 3.418 -3.250 7.428 1.00 0.00 H new ATOM 0 HA ALA A 26 1.186 -2.092 8.963 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.963 -1.511 10.581 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.925 -3.257 10.240 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.176 -2.232 9.496 1.00 0.00 H new ATOM 360 N LEU A 27 1.358 0.126 7.907 1.00 0.00 N ATOM 361 CA LEU A 27 1.436 1.486 7.384 1.00 0.00 C ATOM 362 C LEU A 27 1.260 2.510 8.501 1.00 0.00 C ATOM 363 O LEU A 27 0.857 2.169 9.613 1.00 0.00 O ATOM 364 CB LEU A 27 0.371 1.701 6.307 1.00 0.00 C ATOM 365 CG LEU A 27 0.293 0.631 5.218 1.00 0.00 C ATOM 366 CD1 LEU A 27 -1.118 0.544 4.656 1.00 0.00 C ATOM 367 CD2 LEU A 27 1.293 0.924 4.110 1.00 0.00 C ATOM 0 H LEU A 27 0.412 -0.190 8.123 1.00 0.00 H new ATOM 0 HA LEU A 27 2.423 1.623 6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.602 1.767 6.794 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.554 2.664 5.830 1.00 0.00 H new ATOM 0 HG LEU A 27 0.545 -0.332 5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.155 -0.223 3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.813 0.286 5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.399 1.506 4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.223 0.152 3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.072 1.895 3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.301 0.935 4.524 1.00 0.00 H new ATOM 379 N VAL A 28 1.563 3.768 8.197 1.00 0.00 N ATOM 380 CA VAL A 28 1.436 4.843 9.173 1.00 0.00 C ATOM 381 C VAL A 28 0.972 6.135 8.511 1.00 0.00 C ATOM 382 O VAL A 28 0.708 6.168 7.310 1.00 0.00 O ATOM 383 CB VAL A 28 2.768 5.101 9.901 1.00 0.00 C ATOM 384 CG1 VAL A 28 3.013 4.038 10.961 1.00 0.00 C ATOM 385 CG2 VAL A 28 3.918 5.148 8.906 1.00 0.00 C ATOM 0 H VAL A 28 1.898 4.068 7.282 1.00 0.00 H new ATOM 0 HA VAL A 28 0.690 4.523 9.900 1.00 0.00 H new ATOM 0 HB VAL A 28 2.708 6.069 10.399 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.959 4.237 11.464 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.203 4.058 11.690 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.053 3.056 10.489 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.852 5.331 9.438 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.982 4.196 8.378 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.746 5.950 8.188 1.00 0.00 H new ATOM 395 N GLU A 29 0.877 7.199 9.303 1.00 0.00 N ATOM 396 CA GLU A 29 0.445 8.495 8.792 1.00 0.00 C ATOM 397 C GLU A 29 1.638 9.425 8.589 1.00 0.00 C ATOM 398 O GLU A 29 2.250 9.886 9.553 1.00 0.00 O ATOM 399 CB GLU A 29 -0.559 9.137 9.751 1.00 0.00 C ATOM 400 CG GLU A 29 -1.066 10.491 9.285 1.00 0.00 C ATOM 401 CD GLU A 29 -0.064 11.604 9.527 1.00 0.00 C ATOM 402 OE1 GLU A 29 0.448 11.703 10.662 1.00 0.00 O ATOM 403 OE2 GLU A 29 0.208 12.374 8.583 1.00 0.00 O ATOM 0 H GLU A 29 1.093 7.189 10.300 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.037 8.334 7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.408 8.465 9.878 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.092 9.250 10.730 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.298 10.441 8.221 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.996 10.725 9.804 1.00 0.00 H new ATOM 522 N THR A 38 0.202 11.115 2.471 1.00 0.00 N ATOM 523 CA THR A 38 0.489 9.924 1.681 1.00 0.00 C ATOM 524 C THR A 38 0.703 8.709 2.577 1.00 0.00 C ATOM 525 O THR A 38 1.034 8.844 3.754 1.00 0.00 O ATOM 526 CB THR A 38 1.735 10.122 0.798 1.00 0.00 C ATOM 527 OG1 THR A 38 2.901 10.252 1.619 1.00 0.00 O ATOM 528 CG2 THR A 38 1.586 11.355 -0.079 1.00 0.00 C ATOM 0 HA THR A 38 -0.377 9.753 1.041 1.00 0.00 H new ATOM 0 HB THR A 38 1.840 9.249 0.154 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.678 10.761 2.426 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.478 11.474 -0.694 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.714 11.240 -0.723 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.459 12.236 0.550 1.00 0.00 H new ATOM 536 N ALA A 39 0.511 7.521 2.011 1.00 0.00 N ATOM 537 CA ALA A 39 0.686 6.282 2.759 1.00 0.00 C ATOM 538 C ALA A 39 2.136 5.811 2.708 1.00 0.00 C ATOM 539 O ALA A 39 2.771 5.837 1.654 1.00 0.00 O ATOM 540 CB ALA A 39 -0.241 5.204 2.217 1.00 0.00 C ATOM 0 H ALA A 39 0.234 7.391 1.038 1.00 0.00 H new ATOM 0 HA ALA A 39 0.431 6.475 3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.100 4.284 2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.276 5.533 2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.012 5.021 1.167 1.00 0.00 H new ATOM 546 N VAL A 40 2.653 5.380 3.854 1.00 0.00 N ATOM 547 CA VAL A 40 4.028 4.902 3.941 1.00 0.00 C ATOM 548 C VAL A 40 4.122 3.652 4.809 1.00 0.00 C ATOM 549 O VAL A 40 3.621 3.627 5.933 1.00 0.00 O ATOM 550 CB VAL A 40 4.963 5.983 4.514 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.419 5.587 4.322 1.00 0.00 C ATOM 552 CG2 VAL A 40 4.679 7.331 3.867 1.00 0.00 C ATOM 0 H VAL A 40 2.140 5.352 4.735 1.00 0.00 H new ATOM 0 HA VAL A 40 4.343 4.660 2.926 1.00 0.00 H new ATOM 0 HB VAL A 40 4.774 6.072 5.584 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.064 6.363 4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.611 4.645 4.836 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.627 5.468 3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.349 8.083 4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.839 7.259 2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.646 7.618 4.062 1.00 0.00 H new ATOM 562 N ILE A 41 4.767 2.618 4.279 1.00 0.00 N ATOM 563 CA ILE A 41 4.928 1.365 5.007 1.00 0.00 C ATOM 564 C ILE A 41 5.842 1.544 6.214 1.00 0.00 C ATOM 565 O ILE A 41 7.056 1.685 6.071 1.00 0.00 O ATOM 566 CB ILE A 41 5.502 0.259 4.102 1.00 0.00 C ATOM 567 CG1 ILE A 41 4.607 0.056 2.878 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.647 -1.040 4.881 1.00 0.00 C ATOM 569 CD1 ILE A 41 5.150 -0.957 1.894 1.00 0.00 C ATOM 0 H ILE A 41 5.186 2.623 3.349 1.00 0.00 H new ATOM 0 HA ILE A 41 3.936 1.067 5.347 1.00 0.00 H new ATOM 0 HB ILE A 41 6.490 0.566 3.759 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.619 -0.265 3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.478 1.012 2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.054 -1.812 4.228 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.321 -0.886 5.724 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.671 -1.354 5.250 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.464 -1.050 1.052 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.125 -0.628 1.534 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.253 -1.924 2.387 1.00 0.00 H new ATOM 581 N ALA A 42 5.250 1.536 7.404 1.00 0.00 N ATOM 582 CA ALA A 42 6.011 1.694 8.637 1.00 0.00 C ATOM 583 C ALA A 42 6.887 0.474 8.901 1.00 0.00 C ATOM 584 O ALA A 42 8.083 0.602 9.160 1.00 0.00 O ATOM 585 CB ALA A 42 5.071 1.935 9.810 1.00 0.00 C ATOM 0 H ALA A 42 4.246 1.422 7.540 1.00 0.00 H new ATOM 0 HA ALA A 42 6.663 2.560 8.524 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.653 2.051 10.724 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.491 2.840 9.631 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.395 1.086 9.915 1.00 0.00 H new ATOM 591 N ASN A 43 6.283 -0.708 8.834 1.00 0.00 N ATOM 592 CA ASN A 43 7.010 -1.951 9.067 1.00 0.00 C ATOM 593 C ASN A 43 6.391 -3.099 8.275 1.00 0.00 C ATOM 594 O ASN A 43 5.234 -3.029 7.859 1.00 0.00 O ATOM 595 CB ASN A 43 7.015 -2.291 10.559 1.00 0.00 C ATOM 596 CG ASN A 43 7.782 -1.273 11.380 1.00 0.00 C ATOM 597 OD1 ASN A 43 7.190 -0.416 12.037 1.00 0.00 O ATOM 598 ND2 ASN A 43 9.107 -1.362 11.347 1.00 0.00 N ATOM 0 H ASN A 43 5.293 -0.831 8.621 1.00 0.00 H new ATOM 0 HA ASN A 43 8.037 -1.811 8.729 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.988 -2.346 10.920 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.457 -3.277 10.703 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.676 -0.704 11.880 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.556 -2.088 10.789 1.00 0.00 H new ATOM 605 N LEU A 44 7.169 -4.157 8.070 1.00 0.00 N ATOM 606 CA LEU A 44 6.698 -5.321 7.329 1.00 0.00 C ATOM 607 C LEU A 44 7.066 -6.613 8.053 1.00 0.00 C ATOM 608 O LEU A 44 8.001 -6.643 8.854 1.00 0.00 O ATOM 609 CB LEU A 44 7.291 -5.327 5.919 1.00 0.00 C ATOM 610 CG LEU A 44 6.762 -4.257 4.964 1.00 0.00 C ATOM 611 CD1 LEU A 44 7.263 -4.508 3.550 1.00 0.00 C ATOM 612 CD2 LEU A 44 5.241 -4.221 4.994 1.00 0.00 C ATOM 0 H LEU A 44 8.129 -4.232 8.407 1.00 0.00 H new ATOM 0 HA LEU A 44 5.612 -5.261 7.260 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.372 -5.211 6.001 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.108 -6.305 5.474 1.00 0.00 H new ATOM 0 HG LEU A 44 7.136 -3.287 5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.876 -3.736 2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.353 -4.483 3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.920 -5.485 3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.882 -3.454 4.308 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.848 -5.191 4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.902 -3.992 6.004 1.00 0.00 H new ATOM 624 N LEU A 45 6.326 -7.678 7.764 1.00 0.00 N ATOM 625 CA LEU A 45 6.576 -8.974 8.385 1.00 0.00 C ATOM 626 C LEU A 45 7.235 -9.933 7.399 1.00 0.00 C ATOM 627 O LEU A 45 6.590 -10.430 6.476 1.00 0.00 O ATOM 628 CB LEU A 45 5.267 -9.574 8.901 1.00 0.00 C ATOM 629 CG LEU A 45 5.403 -10.702 9.925 1.00 0.00 C ATOM 630 CD1 LEU A 45 4.086 -10.925 10.651 1.00 0.00 C ATOM 631 CD2 LEU A 45 5.865 -11.984 9.247 1.00 0.00 C ATOM 0 H LEU A 45 5.548 -7.670 7.104 1.00 0.00 H new ATOM 0 HA LEU A 45 7.255 -8.823 9.224 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.675 -8.775 9.347 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.702 -9.951 8.048 1.00 0.00 H new ATOM 0 HG LEU A 45 6.154 -10.412 10.660 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.202 -11.731 11.375 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.797 -10.011 11.169 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.314 -11.193 9.930 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.956 -12.776 9.990 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.137 -12.278 8.491 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.833 -11.817 8.774 1.00 0.00 H new ATOM 643 N HIS A 46 8.523 -10.189 7.603 1.00 0.00 N ATOM 644 CA HIS A 46 9.270 -11.091 6.733 1.00 0.00 C ATOM 645 C HIS A 46 8.592 -12.456 6.656 1.00 0.00 C ATOM 646 O HIS A 46 8.754 -13.291 7.545 1.00 0.00 O ATOM 647 CB HIS A 46 10.705 -11.249 7.237 1.00 0.00 C ATOM 648 CG HIS A 46 11.648 -10.223 6.688 1.00 0.00 C ATOM 649 ND1 HIS A 46 11.227 -9.027 6.145 1.00 0.00 N ATOM 650 CD2 HIS A 46 12.999 -10.219 6.602 1.00 0.00 C ATOM 651 CE1 HIS A 46 12.278 -8.333 5.748 1.00 0.00 C ATOM 652 NE2 HIS A 46 13.366 -9.033 6.014 1.00 0.00 N ATOM 0 H HIS A 46 9.071 -9.785 8.362 1.00 0.00 H new ATOM 0 HA HIS A 46 9.290 -10.658 5.733 1.00 0.00 H new ATOM 0 HB2 HIS A 46 10.708 -11.188 8.325 1.00 0.00 H new ATOM 0 HB3 HIS A 46 11.067 -12.242 6.972 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.664 -11.002 6.934 1.00 0.00 H new ATOM 0 HE1 HIS A 46 12.252 -7.358 5.284 1.00 0.00 H new ATOM 0 HE2 HIS A 46 14.323 -8.741 5.815 1.00 0.00 H new ATOM 660 N GLY A 47 7.832 -12.676 5.588 1.00 0.00 N ATOM 661 CA GLY A 47 7.141 -13.940 5.416 1.00 0.00 C ATOM 662 C GLY A 47 5.731 -13.763 4.888 1.00 0.00 C ATOM 663 O GLY A 47 5.135 -14.702 4.362 1.00 0.00 O ATOM 0 H GLY A 47 7.682 -12.001 4.838 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.707 -14.569 4.729 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.105 -14.464 6.371 1.00 0.00 H new ATOM 667 N GLY A 48 5.194 -12.555 5.031 1.00 0.00 N ATOM 668 CA GLY A 48 3.849 -12.281 4.562 1.00 0.00 C ATOM 669 C GLY A 48 3.728 -12.386 3.054 1.00 0.00 C ATOM 670 O GLY A 48 4.715 -12.572 2.342 1.00 0.00 O ATOM 0 H GLY A 48 5.667 -11.761 5.463 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.155 -12.980 5.029 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.554 -11.280 4.878 1.00 0.00 H new ATOM 674 N PRO A 49 2.492 -12.268 2.546 1.00 0.00 N ATOM 675 CA PRO A 49 2.216 -12.349 1.109 1.00 0.00 C ATOM 676 C PRO A 49 2.751 -11.141 0.347 1.00 0.00 C ATOM 677 O PRO A 49 3.063 -11.232 -0.840 1.00 0.00 O ATOM 678 CB PRO A 49 0.688 -12.389 1.043 1.00 0.00 C ATOM 679 CG PRO A 49 0.237 -11.717 2.294 1.00 0.00 C ATOM 680 CD PRO A 49 1.269 -12.046 3.336 1.00 0.00 C ATOM 0 HA PRO A 49 2.699 -13.211 0.649 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.316 -11.871 0.159 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.321 -13.414 0.990 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.157 -10.639 2.151 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.748 -12.073 2.595 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.394 -11.231 4.049 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.994 -12.932 3.908 1.00 0.00 H new ATOM 688 N ALA A 50 2.855 -10.010 1.038 1.00 0.00 N ATOM 689 CA ALA A 50 3.355 -8.785 0.426 1.00 0.00 C ATOM 690 C ALA A 50 4.864 -8.657 0.608 1.00 0.00 C ATOM 691 O ALA A 50 5.568 -8.197 -0.290 1.00 0.00 O ATOM 692 CB ALA A 50 2.646 -7.574 1.014 1.00 0.00 C ATOM 0 H ALA A 50 2.600 -9.917 2.021 1.00 0.00 H new ATOM 0 HA ALA A 50 3.147 -8.831 -0.643 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.029 -6.666 0.548 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.575 -7.653 0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.825 -7.534 2.088 1.00 0.00 H new ATOM 698 N GLU A 51 5.352 -9.066 1.775 1.00 0.00 N ATOM 699 CA GLU A 51 6.777 -8.994 2.073 1.00 0.00 C ATOM 700 C GLU A 51 7.551 -10.052 1.290 1.00 0.00 C ATOM 701 O GLU A 51 8.712 -9.850 0.935 1.00 0.00 O ATOM 702 CB GLU A 51 7.017 -9.177 3.573 1.00 0.00 C ATOM 703 CG GLU A 51 8.465 -8.977 3.987 1.00 0.00 C ATOM 704 CD GLU A 51 9.070 -7.715 3.402 1.00 0.00 C ATOM 705 OE1 GLU A 51 9.465 -7.742 2.217 1.00 0.00 O ATOM 706 OE2 GLU A 51 9.148 -6.702 4.127 1.00 0.00 O ATOM 0 H GLU A 51 4.782 -9.450 2.529 1.00 0.00 H new ATOM 0 HA GLU A 51 7.136 -8.010 1.772 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.391 -8.473 4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.700 -10.179 3.863 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.525 -8.934 5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.052 -9.838 3.669 1.00 0.00 H new ATOM 713 N ARG A 52 6.898 -11.179 1.027 1.00 0.00 N ATOM 714 CA ARG A 52 7.524 -12.269 0.288 1.00 0.00 C ATOM 715 C ARG A 52 7.939 -11.813 -1.107 1.00 0.00 C ATOM 716 O ARG A 52 8.895 -12.332 -1.682 1.00 0.00 O ATOM 717 CB ARG A 52 6.567 -13.459 0.185 1.00 0.00 C ATOM 718 CG ARG A 52 5.307 -13.159 -0.611 1.00 0.00 C ATOM 719 CD ARG A 52 4.703 -14.426 -1.196 1.00 0.00 C ATOM 720 NE ARG A 52 5.589 -15.054 -2.173 1.00 0.00 N ATOM 721 CZ ARG A 52 5.307 -16.193 -2.795 1.00 0.00 C ATOM 722 NH1 ARG A 52 4.169 -16.826 -2.543 1.00 0.00 N ATOM 723 NH2 ARG A 52 6.164 -16.702 -3.672 1.00 0.00 N ATOM 0 H ARG A 52 5.936 -11.361 1.314 1.00 0.00 H new ATOM 0 HA ARG A 52 8.418 -12.576 0.831 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.089 -14.296 -0.279 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.286 -13.776 1.189 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.576 -12.670 0.033 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.541 -12.461 -1.415 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.492 -15.131 -0.392 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.751 -14.188 -1.670 1.00 0.00 H new ATOM 0 HE ARG A 52 6.473 -14.592 -2.389 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.508 -16.438 -1.870 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.955 -17.701 -3.022 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.040 -16.218 -3.869 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.946 -17.577 -4.149 1.00 0.00 H new ATOM 737 N SER A 53 7.212 -10.840 -1.647 1.00 0.00 N ATOM 738 CA SER A 53 7.501 -10.317 -2.977 1.00 0.00 C ATOM 739 C SER A 53 8.965 -9.902 -3.090 1.00 0.00 C ATOM 740 O SER A 53 9.632 -10.202 -4.080 1.00 0.00 O ATOM 741 CB SER A 53 6.595 -9.123 -3.286 1.00 0.00 C ATOM 742 OG SER A 53 7.079 -7.942 -2.671 1.00 0.00 O ATOM 0 H SER A 53 6.418 -10.398 -1.184 1.00 0.00 H new ATOM 0 HA SER A 53 7.308 -11.108 -3.702 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.536 -8.977 -4.365 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.584 -9.330 -2.937 1.00 0.00 H new ATOM 0 HG SER A 53 6.684 -7.852 -1.779 1.00 0.00 H new ATOM 748 N GLY A 54 9.458 -9.208 -2.069 1.00 0.00 N ATOM 749 CA GLY A 54 10.839 -8.763 -2.073 1.00 0.00 C ATOM 750 C GLY A 54 10.997 -7.368 -2.645 1.00 0.00 C ATOM 751 O GLY A 54 11.832 -6.591 -2.183 1.00 0.00 O ATOM 0 H GLY A 54 8.926 -8.946 -1.239 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.226 -8.781 -1.054 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.441 -9.461 -2.655 1.00 0.00 H new ATOM 755 N ALA A 55 10.193 -7.050 -3.655 1.00 0.00 N ATOM 756 CA ALA A 55 10.247 -5.740 -4.291 1.00 0.00 C ATOM 757 C ALA A 55 9.614 -4.673 -3.404 1.00 0.00 C ATOM 758 O ALA A 55 9.964 -3.495 -3.486 1.00 0.00 O ATOM 759 CB ALA A 55 9.556 -5.782 -5.645 1.00 0.00 C ATOM 0 H ALA A 55 9.497 -7.682 -4.050 1.00 0.00 H new ATOM 0 HA ALA A 55 11.295 -5.478 -4.439 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.604 -4.797 -6.109 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.055 -6.509 -6.286 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.513 -6.070 -5.513 1.00 0.00 H new ATOM 765 N LEU A 56 8.679 -5.092 -2.558 1.00 0.00 N ATOM 766 CA LEU A 56 7.996 -4.172 -1.655 1.00 0.00 C ATOM 767 C LEU A 56 8.607 -4.224 -0.259 1.00 0.00 C ATOM 768 O LEU A 56 8.431 -5.201 0.470 1.00 0.00 O ATOM 769 CB LEU A 56 6.505 -4.508 -1.585 1.00 0.00 C ATOM 770 CG LEU A 56 5.865 -4.993 -2.886 1.00 0.00 C ATOM 771 CD1 LEU A 56 4.618 -5.814 -2.594 1.00 0.00 C ATOM 772 CD2 LEU A 56 5.530 -3.814 -3.788 1.00 0.00 C ATOM 0 H LEU A 56 8.377 -6.063 -2.479 1.00 0.00 H new ATOM 0 HA LEU A 56 8.117 -3.162 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.361 -5.276 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.968 -3.621 -1.248 1.00 0.00 H new ATOM 0 HG LEU A 56 6.581 -5.630 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.176 -6.151 -3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.886 -6.679 -1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.897 -5.201 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.075 -4.178 -4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.832 -3.151 -3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.442 -3.267 -4.025 1.00 0.00 H new ATOM 784 N SER A 57 9.323 -3.166 0.108 1.00 0.00 N ATOM 785 CA SER A 57 9.961 -3.092 1.417 1.00 0.00 C ATOM 786 C SER A 57 9.543 -1.824 2.155 1.00 0.00 C ATOM 787 O SER A 57 8.894 -0.947 1.584 1.00 0.00 O ATOM 788 CB SER A 57 11.484 -3.130 1.269 1.00 0.00 C ATOM 789 OG SER A 57 11.930 -2.158 0.340 1.00 0.00 O ATOM 0 H SER A 57 9.476 -2.349 -0.483 1.00 0.00 H new ATOM 0 HA SER A 57 9.638 -3.954 2.000 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.951 -2.953 2.238 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.796 -4.121 0.941 1.00 0.00 H new ATOM 0 HG SER A 57 12.906 -2.201 0.265 1.00 0.00 H new ATOM 795 N ILE A 58 9.918 -1.735 3.426 1.00 0.00 N ATOM 796 CA ILE A 58 9.583 -0.575 4.242 1.00 0.00 C ATOM 797 C ILE A 58 9.971 0.722 3.539 1.00 0.00 C ATOM 798 O ILE A 58 11.054 0.830 2.966 1.00 0.00 O ATOM 799 CB ILE A 58 10.282 -0.630 5.614 1.00 0.00 C ATOM 800 CG1 ILE A 58 9.857 -1.887 6.376 1.00 0.00 C ATOM 801 CG2 ILE A 58 9.964 0.619 6.421 1.00 0.00 C ATOM 802 CD1 ILE A 58 10.790 -2.250 7.510 1.00 0.00 C ATOM 0 H ILE A 58 10.454 -2.453 3.913 1.00 0.00 H new ATOM 0 HA ILE A 58 8.504 -0.596 4.392 1.00 0.00 H new ATOM 0 HB ILE A 58 11.360 -0.671 5.456 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.854 -1.738 6.775 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.802 -2.723 5.679 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.465 0.565 7.388 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.312 1.500 5.881 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.887 0.689 6.574 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.427 -3.151 8.006 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.790 -2.431 7.115 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.826 -1.431 8.228 1.00 0.00 H new ATOM 814 N GLY A 59 9.077 1.705 3.589 1.00 0.00 N ATOM 815 CA GLY A 59 9.344 2.983 2.955 1.00 0.00 C ATOM 816 C GLY A 59 8.454 3.231 1.753 1.00 0.00 C ATOM 817 O GLY A 59 7.817 4.279 1.649 1.00 0.00 O ATOM 0 H GLY A 59 8.173 1.639 4.057 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.199 3.783 3.681 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.388 3.020 2.644 1.00 0.00 H new ATOM 821 N ASP A 60 8.411 2.265 0.842 1.00 0.00 N ATOM 822 CA ASP A 60 7.593 2.383 -0.360 1.00 0.00 C ATOM 823 C ASP A 60 6.248 3.028 -0.040 1.00 0.00 C ATOM 824 O ASP A 60 5.606 2.688 0.953 1.00 0.00 O ATOM 825 CB ASP A 60 7.376 1.008 -0.992 1.00 0.00 C ATOM 826 CG ASP A 60 8.644 0.444 -1.602 1.00 0.00 C ATOM 827 OD1 ASP A 60 9.325 1.182 -2.343 1.00 0.00 O ATOM 828 OD2 ASP A 60 8.956 -0.737 -1.337 1.00 0.00 O ATOM 0 H ASP A 60 8.933 1.391 0.913 1.00 0.00 H new ATOM 0 HA ASP A 60 8.122 3.020 -1.069 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.003 0.318 -0.235 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.608 1.082 -1.762 1.00 0.00 H new ATOM 833 N ARG A 61 5.829 3.962 -0.888 1.00 0.00 N ATOM 834 CA ARG A 61 4.562 4.656 -0.694 1.00 0.00 C ATOM 835 C ARG A 61 3.456 4.011 -1.524 1.00 0.00 C ATOM 836 O ARG A 61 3.662 3.656 -2.685 1.00 0.00 O ATOM 837 CB ARG A 61 4.701 6.132 -1.072 1.00 0.00 C ATOM 838 CG ARG A 61 3.374 6.866 -1.161 1.00 0.00 C ATOM 839 CD ARG A 61 2.791 6.794 -2.564 1.00 0.00 C ATOM 840 NE ARG A 61 3.233 7.908 -3.398 1.00 0.00 N ATOM 841 CZ ARG A 61 2.639 9.097 -3.413 1.00 0.00 C ATOM 842 NH1 ARG A 61 1.585 9.324 -2.642 1.00 0.00 N ATOM 843 NH2 ARG A 61 3.100 10.060 -4.200 1.00 0.00 N ATOM 0 H ARG A 61 6.348 4.255 -1.715 1.00 0.00 H new ATOM 0 HA ARG A 61 4.294 4.581 0.360 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.332 6.629 -0.335 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.212 6.206 -2.032 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.669 6.434 -0.450 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.514 7.909 -0.877 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.084 5.853 -3.030 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.703 6.795 -2.505 1.00 0.00 H new ATOM 0 HE ARG A 61 4.042 7.766 -4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.228 8.586 -2.036 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.131 10.237 -2.655 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.911 9.888 -4.794 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.644 10.972 -4.211 1.00 0.00 H new ATOM 857 N LEU A 62 2.282 3.860 -0.920 1.00 0.00 N ATOM 858 CA LEU A 62 1.143 3.256 -1.602 1.00 0.00 C ATOM 859 C LEU A 62 0.212 4.328 -2.161 1.00 0.00 C ATOM 860 O LEU A 62 0.013 5.376 -1.545 1.00 0.00 O ATOM 861 CB LEU A 62 0.373 2.345 -0.644 1.00 0.00 C ATOM 862 CG LEU A 62 -0.836 1.619 -1.234 1.00 0.00 C ATOM 863 CD1 LEU A 62 -1.101 0.324 -0.482 1.00 0.00 C ATOM 864 CD2 LEU A 62 -2.065 2.517 -1.203 1.00 0.00 C ATOM 0 H LEU A 62 2.094 4.148 0.040 1.00 0.00 H new ATOM 0 HA LEU A 62 1.523 2.661 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.063 1.599 -0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.035 2.944 0.202 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.616 1.373 -2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.965 -0.179 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.228 -0.325 -0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.300 0.546 0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.916 1.984 -1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.287 2.794 -0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.873 3.417 -1.787 1.00 0.00 H new ATOM 876 N THR A 63 -0.359 4.058 -3.331 1.00 0.00 N ATOM 877 CA THR A 63 -1.270 4.998 -3.972 1.00 0.00 C ATOM 878 C THR A 63 -2.690 4.445 -4.016 1.00 0.00 C ATOM 879 O THR A 63 -3.661 5.197 -3.942 1.00 0.00 O ATOM 880 CB THR A 63 -0.816 5.331 -5.405 1.00 0.00 C ATOM 881 OG1 THR A 63 -1.037 4.206 -6.263 1.00 0.00 O ATOM 882 CG2 THR A 63 0.656 5.713 -5.432 1.00 0.00 C ATOM 0 H THR A 63 -0.206 3.196 -3.854 1.00 0.00 H new ATOM 0 HA THR A 63 -1.257 5.909 -3.374 1.00 0.00 H new ATOM 0 HB THR A 63 -1.402 6.179 -5.760 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.484 3.454 -5.965 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.953 5.944 -6.455 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.817 6.587 -4.801 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.254 4.882 -5.059 1.00 0.00 H new ATOM 890 N ALA A 64 -2.802 3.126 -4.135 1.00 0.00 N ATOM 891 CA ALA A 64 -4.104 2.472 -4.187 1.00 0.00 C ATOM 892 C ALA A 64 -3.983 0.984 -3.877 1.00 0.00 C ATOM 893 O ALA A 64 -2.890 0.418 -3.921 1.00 0.00 O ATOM 894 CB ALA A 64 -4.746 2.680 -5.550 1.00 0.00 C ATOM 0 H ALA A 64 -2.007 2.490 -4.197 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.741 2.924 -3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.717 2.186 -5.574 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.877 3.747 -5.732 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.105 2.256 -6.323 1.00 0.00 H new ATOM 900 N ILE A 65 -5.111 0.356 -3.564 1.00 0.00 N ATOM 901 CA ILE A 65 -5.131 -1.067 -3.248 1.00 0.00 C ATOM 902 C ILE A 65 -6.124 -1.813 -4.133 1.00 0.00 C ATOM 903 O ILE A 65 -7.332 -1.757 -3.911 1.00 0.00 O ATOM 904 CB ILE A 65 -5.492 -1.310 -1.771 1.00 0.00 C ATOM 905 CG1 ILE A 65 -4.350 -0.853 -0.862 1.00 0.00 C ATOM 906 CG2 ILE A 65 -5.806 -2.781 -1.538 1.00 0.00 C ATOM 907 CD1 ILE A 65 -4.741 -0.756 0.596 1.00 0.00 C ATOM 0 H ILE A 65 -6.023 0.810 -3.522 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.126 -1.446 -3.435 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.380 -0.726 -1.528 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.517 -1.549 -0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.994 0.120 -1.200 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.059 -2.937 -0.489 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.649 -3.077 -2.163 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.935 -3.384 -1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.883 -0.427 1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.554 -0.038 0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.069 -1.733 0.951 1.00 0.00 H new ATOM 919 N ASN A 66 -5.604 -2.513 -5.136 1.00 0.00 N ATOM 920 CA ASN A 66 -6.446 -3.273 -6.054 1.00 0.00 C ATOM 921 C ASN A 66 -7.374 -2.346 -6.833 1.00 0.00 C ATOM 922 O ASN A 66 -8.474 -2.737 -7.222 1.00 0.00 O ATOM 923 CB ASN A 66 -7.268 -4.310 -5.286 1.00 0.00 C ATOM 924 CG ASN A 66 -6.399 -5.363 -4.626 1.00 0.00 C ATOM 925 OD1 ASN A 66 -5.839 -6.231 -5.296 1.00 0.00 O ATOM 926 ND2 ASN A 66 -6.282 -5.290 -3.306 1.00 0.00 N ATOM 0 H ASN A 66 -4.605 -2.570 -5.334 1.00 0.00 H new ATOM 0 HA ASN A 66 -5.797 -3.788 -6.762 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.864 -3.806 -4.525 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.966 -4.795 -5.969 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.710 -5.971 -2.806 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.764 -4.553 -2.791 1.00 0.00 H new ATOM 933 N GLY A 67 -6.923 -1.116 -7.058 1.00 0.00 N ATOM 934 CA GLY A 67 -7.725 -0.153 -7.790 1.00 0.00 C ATOM 935 C GLY A 67 -8.324 0.908 -6.888 1.00 0.00 C ATOM 936 O GLY A 67 -8.722 1.976 -7.352 1.00 0.00 O ATOM 0 H GLY A 67 -6.016 -0.769 -6.746 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.108 0.327 -8.550 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.526 -0.675 -8.313 1.00 0.00 H new ATOM 940 N THR A 68 -8.390 0.613 -5.593 1.00 0.00 N ATOM 941 CA THR A 68 -8.946 1.548 -4.624 1.00 0.00 C ATOM 942 C THR A 68 -7.955 2.660 -4.299 1.00 0.00 C ATOM 943 O THR A 68 -6.978 2.443 -3.583 1.00 0.00 O ATOM 944 CB THR A 68 -9.344 0.834 -3.318 1.00 0.00 C ATOM 945 OG1 THR A 68 -10.070 -0.365 -3.617 1.00 0.00 O ATOM 946 CG2 THR A 68 -10.194 1.741 -2.442 1.00 0.00 C ATOM 0 H THR A 68 -8.065 -0.267 -5.192 1.00 0.00 H new ATOM 0 HA THR A 68 -9.837 1.981 -5.080 1.00 0.00 H new ATOM 0 HB THR A 68 -8.433 0.582 -2.776 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.439 -1.092 -3.801 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.462 1.215 -1.526 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.629 2.639 -2.192 1.00 0.00 H new ATOM 0 HG23 THR A 68 -11.101 2.020 -2.979 1.00 0.00 H new ATOM 954 N SER A 69 -8.213 3.850 -4.831 1.00 0.00 N ATOM 955 CA SER A 69 -7.341 4.996 -4.600 1.00 0.00 C ATOM 956 C SER A 69 -7.323 5.376 -3.122 1.00 0.00 C ATOM 957 O SER A 69 -8.345 5.768 -2.558 1.00 0.00 O ATOM 958 CB SER A 69 -7.798 6.190 -5.440 1.00 0.00 C ATOM 959 OG SER A 69 -7.029 7.343 -5.148 1.00 0.00 O ATOM 0 H SER A 69 -9.019 4.046 -5.425 1.00 0.00 H new ATOM 0 HA SER A 69 -6.330 4.718 -4.898 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.709 5.949 -6.499 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.851 6.393 -5.246 1.00 0.00 H new ATOM 0 HG SER A 69 -7.340 8.092 -5.699 1.00 0.00 H new ATOM 965 N LEU A 70 -6.155 5.258 -2.502 1.00 0.00 N ATOM 966 CA LEU A 70 -6.001 5.589 -1.089 1.00 0.00 C ATOM 967 C LEU A 70 -5.411 6.985 -0.918 1.00 0.00 C ATOM 968 O LEU A 70 -5.486 7.574 0.160 1.00 0.00 O ATOM 969 CB LEU A 70 -5.109 4.557 -0.397 1.00 0.00 C ATOM 970 CG LEU A 70 -5.781 3.238 -0.014 1.00 0.00 C ATOM 971 CD1 LEU A 70 -4.816 2.353 0.760 1.00 0.00 C ATOM 972 CD2 LEU A 70 -7.040 3.497 0.799 1.00 0.00 C ATOM 0 H LEU A 70 -5.300 4.936 -2.955 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.989 5.573 -0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.267 4.336 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.699 5.008 0.506 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.065 2.718 -0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.311 1.419 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.943 2.139 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.501 2.866 1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.505 2.547 1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.781 4.039 1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.738 4.091 0.209 1.00 0.00 H new ATOM 984 N VAL A 71 -4.826 7.510 -1.990 1.00 0.00 N ATOM 985 CA VAL A 71 -4.226 8.838 -1.960 1.00 0.00 C ATOM 986 C VAL A 71 -5.234 9.886 -1.501 1.00 0.00 C ATOM 987 O VAL A 71 -6.343 9.967 -2.026 1.00 0.00 O ATOM 988 CB VAL A 71 -3.678 9.239 -3.343 1.00 0.00 C ATOM 989 CG1 VAL A 71 -3.250 10.698 -3.346 1.00 0.00 C ATOM 990 CG2 VAL A 71 -2.521 8.334 -3.739 1.00 0.00 C ATOM 0 H VAL A 71 -4.755 7.035 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.401 8.796 -1.249 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.473 9.118 -4.079 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.866 10.962 -4.331 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.107 11.329 -3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.470 10.850 -2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.146 8.631 -4.718 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.722 8.421 -3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.865 7.301 -3.780 1.00 0.00 H new ATOM 1000 N GLY A 72 -4.839 10.689 -0.518 1.00 0.00 N ATOM 1001 CA GLY A 72 -5.719 11.723 -0.005 1.00 0.00 C ATOM 1002 C GLY A 72 -6.721 11.186 0.999 1.00 0.00 C ATOM 1003 O GLY A 72 -7.861 11.648 1.057 1.00 0.00 O ATOM 0 H GLY A 72 -3.925 10.642 -0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.121 12.504 0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.253 12.186 -0.835 1.00 0.00 H new ATOM 1007 N LEU A 73 -6.296 10.207 1.790 1.00 0.00 N ATOM 1008 CA LEU A 73 -7.164 9.605 2.796 1.00 0.00 C ATOM 1009 C LEU A 73 -6.418 9.408 4.112 1.00 0.00 C ATOM 1010 O LEU A 73 -5.199 9.239 4.143 1.00 0.00 O ATOM 1011 CB LEU A 73 -7.703 8.264 2.296 1.00 0.00 C ATOM 1012 CG LEU A 73 -8.748 8.333 1.182 1.00 0.00 C ATOM 1013 CD1 LEU A 73 -8.939 6.966 0.544 1.00 0.00 C ATOM 1014 CD2 LEU A 73 -10.068 8.862 1.722 1.00 0.00 C ATOM 0 H LEU A 73 -5.356 9.813 1.754 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.000 10.283 2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.863 7.667 1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.138 7.732 3.142 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.390 9.021 0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.686 7.035 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.993 6.627 0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.274 6.256 1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.800 8.904 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.431 8.199 2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.920 9.862 2.130 1.00 0.00 H new ATOM 1026 N PRO A 74 -7.166 9.429 5.225 1.00 0.00 N ATOM 1027 CA PRO A 74 -6.597 9.251 6.564 1.00 0.00 C ATOM 1028 C PRO A 74 -6.108 7.827 6.802 1.00 0.00 C ATOM 1029 O PRO A 74 -6.633 6.874 6.224 1.00 0.00 O ATOM 1030 CB PRO A 74 -7.770 9.575 7.493 1.00 0.00 C ATOM 1031 CG PRO A 74 -8.986 9.290 6.682 1.00 0.00 C ATOM 1032 CD PRO A 74 -8.625 9.626 5.262 1.00 0.00 C ATOM 0 HA PRO A 74 -5.722 9.882 6.722 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.742 8.962 8.394 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.744 10.616 7.815 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.279 8.244 6.773 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.831 9.889 7.022 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.136 8.975 4.553 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.899 10.650 5.009 1.00 0.00 H new ATOM 1040 N LEU A 75 -5.099 7.688 7.655 1.00 0.00 N ATOM 1041 CA LEU A 75 -4.538 6.379 7.970 1.00 0.00 C ATOM 1042 C LEU A 75 -5.643 5.348 8.177 1.00 0.00 C ATOM 1043 O LEU A 75 -5.558 4.224 7.685 1.00 0.00 O ATOM 1044 CB LEU A 75 -3.664 6.464 9.222 1.00 0.00 C ATOM 1045 CG LEU A 75 -3.101 5.140 9.739 1.00 0.00 C ATOM 1046 CD1 LEU A 75 -2.107 4.558 8.746 1.00 0.00 C ATOM 1047 CD2 LEU A 75 -2.447 5.334 11.100 1.00 0.00 C ATOM 0 H LEU A 75 -4.653 8.466 8.141 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.924 6.062 7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.830 7.134 9.013 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.249 6.923 10.019 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.925 4.436 9.851 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.717 3.616 9.131 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.606 4.382 7.793 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.285 5.259 8.601 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.052 4.381 11.453 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.634 6.055 11.013 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.187 5.705 11.809 1.00 0.00 H new ATOM 1059 N ALA A 76 -6.682 5.741 8.908 1.00 0.00 N ATOM 1060 CA ALA A 76 -7.806 4.853 9.176 1.00 0.00 C ATOM 1061 C ALA A 76 -8.299 4.188 7.895 1.00 0.00 C ATOM 1062 O ALA A 76 -8.578 2.990 7.875 1.00 0.00 O ATOM 1063 CB ALA A 76 -8.938 5.621 9.844 1.00 0.00 C ATOM 0 H ALA A 76 -6.768 6.668 9.325 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.464 4.069 9.852 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.771 4.945 10.038 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.586 6.043 10.785 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.269 6.425 9.187 1.00 0.00 H new ATOM 1069 N ALA A 77 -8.405 4.974 6.829 1.00 0.00 N ATOM 1070 CA ALA A 77 -8.863 4.461 5.544 1.00 0.00 C ATOM 1071 C ALA A 77 -7.941 3.360 5.033 1.00 0.00 C ATOM 1072 O ALA A 77 -8.388 2.251 4.736 1.00 0.00 O ATOM 1073 CB ALA A 77 -8.955 5.590 4.528 1.00 0.00 C ATOM 0 H ALA A 77 -8.180 5.969 6.830 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.855 4.032 5.684 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.298 5.193 3.573 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.660 6.342 4.883 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.973 6.045 4.400 1.00 0.00 H new ATOM 1079 N CYS A 78 -6.654 3.672 4.931 1.00 0.00 N ATOM 1080 CA CYS A 78 -5.668 2.709 4.453 1.00 0.00 C ATOM 1081 C CYS A 78 -5.655 1.464 5.334 1.00 0.00 C ATOM 1082 O CYS A 78 -5.510 0.345 4.841 1.00 0.00 O ATOM 1083 CB CYS A 78 -4.277 3.343 4.424 1.00 0.00 C ATOM 1084 SG CYS A 78 -4.154 4.803 3.365 1.00 0.00 S ATOM 0 H CYS A 78 -6.268 4.585 5.173 1.00 0.00 H new ATOM 0 HA CYS A 78 -5.945 2.414 3.441 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -3.994 3.619 5.440 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -3.557 2.599 4.084 1.00 0.00 H new ATOM 0 HG CYS A 78 -3.118 5.506 3.714 1.00 0.00 H new ATOM 1090 N GLN A 79 -5.804 1.666 6.639 1.00 0.00 N ATOM 1091 CA GLN A 79 -5.806 0.559 7.588 1.00 0.00 C ATOM 1092 C GLN A 79 -7.047 -0.309 7.409 1.00 0.00 C ATOM 1093 O GLN A 79 -6.996 -1.526 7.585 1.00 0.00 O ATOM 1094 CB GLN A 79 -5.742 1.089 9.022 1.00 0.00 C ATOM 1095 CG GLN A 79 -4.333 1.420 9.486 1.00 0.00 C ATOM 1096 CD GLN A 79 -3.566 0.194 9.941 1.00 0.00 C ATOM 1097 OE1 GLN A 79 -3.864 -0.928 9.530 1.00 0.00 O ATOM 1098 NE2 GLN A 79 -2.570 0.402 10.794 1.00 0.00 N ATOM 0 H GLN A 79 -5.925 2.586 7.063 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.926 -0.054 7.395 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.360 1.984 9.098 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.172 0.347 9.694 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.791 1.902 8.673 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.383 2.137 10.305 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.357 1.349 11.109 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.017 -0.385 11.135 1.00 0.00 H new ATOM 1107 N ALA A 80 -8.161 0.325 7.059 1.00 0.00 N ATOM 1108 CA ALA A 80 -9.415 -0.390 6.854 1.00 0.00 C ATOM 1109 C ALA A 80 -9.465 -1.027 5.470 1.00 0.00 C ATOM 1110 O ALA A 80 -10.171 -2.011 5.254 1.00 0.00 O ATOM 1111 CB ALA A 80 -10.596 0.550 7.048 1.00 0.00 C ATOM 0 H ALA A 80 -8.221 1.332 6.911 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.474 -1.188 7.594 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.526 0.003 6.892 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.578 0.953 8.061 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.532 1.368 6.331 1.00 0.00 H new ATOM 1117 N ALA A 81 -8.710 -0.458 4.535 1.00 0.00 N ATOM 1118 CA ALA A 81 -8.668 -0.971 3.171 1.00 0.00 C ATOM 1119 C ALA A 81 -7.657 -2.106 3.043 1.00 0.00 C ATOM 1120 O ALA A 81 -7.825 -3.012 2.226 1.00 0.00 O ATOM 1121 CB ALA A 81 -8.335 0.148 2.196 1.00 0.00 C ATOM 0 H ALA A 81 -8.120 0.358 4.697 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.654 -1.368 2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.307 -0.250 1.182 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.097 0.925 2.260 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.362 0.572 2.447 1.00 0.00 H new ATOM 1127 N VAL A 82 -6.605 -2.050 3.855 1.00 0.00 N ATOM 1128 CA VAL A 82 -5.567 -3.073 3.832 1.00 0.00 C ATOM 1129 C VAL A 82 -5.990 -4.303 4.628 1.00 0.00 C ATOM 1130 O VAL A 82 -5.433 -5.387 4.456 1.00 0.00 O ATOM 1131 CB VAL A 82 -4.240 -2.538 4.402 1.00 0.00 C ATOM 1132 CG1 VAL A 82 -4.361 -2.292 5.898 1.00 0.00 C ATOM 1133 CG2 VAL A 82 -3.104 -3.505 4.103 1.00 0.00 C ATOM 0 H VAL A 82 -6.450 -1.307 4.536 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.420 -3.352 2.789 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.015 -1.587 3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.414 -1.914 6.282 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.146 -1.559 6.084 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.610 -3.226 6.401 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.174 -3.111 4.513 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.320 -4.472 4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.003 -3.625 3.024 1.00 0.00 H new ATOM 1143 N ARG A 83 -6.979 -4.127 5.498 1.00 0.00 N ATOM 1144 CA ARG A 83 -7.477 -5.222 6.321 1.00 0.00 C ATOM 1145 C ARG A 83 -8.592 -5.978 5.604 1.00 0.00 C ATOM 1146 O ARG A 83 -8.736 -7.189 5.765 1.00 0.00 O ATOM 1147 CB ARG A 83 -7.987 -4.690 7.662 1.00 0.00 C ATOM 1148 CG ARG A 83 -9.458 -4.311 7.646 1.00 0.00 C ATOM 1149 CD ARG A 83 -9.861 -3.590 8.923 1.00 0.00 C ATOM 1150 NE ARG A 83 -11.301 -3.355 8.988 1.00 0.00 N ATOM 1151 CZ ARG A 83 -12.190 -4.306 9.255 1.00 0.00 C ATOM 1152 NH1 ARG A 83 -11.788 -5.549 9.481 1.00 0.00 N ATOM 1153 NH2 ARG A 83 -13.484 -4.014 9.296 1.00 0.00 N ATOM 0 H ARG A 83 -7.451 -3.236 5.651 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.652 -5.911 6.502 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.824 -5.447 8.429 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.399 -3.817 7.945 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.661 -3.672 6.787 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.065 -5.208 7.526 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.551 -4.180 9.786 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.335 -2.637 8.983 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.643 -2.409 8.819 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.794 -5.777 9.450 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.472 -6.277 9.686 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.797 -3.059 9.122 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.165 -4.745 9.501 1.00 0.00 H new ATOM 1167 N GLU A 84 -9.377 -5.253 4.814 1.00 0.00 N ATOM 1168 CA GLU A 84 -10.480 -5.855 4.074 1.00 0.00 C ATOM 1169 C GLU A 84 -9.961 -6.837 3.027 1.00 0.00 C ATOM 1170 O GLU A 84 -10.695 -7.705 2.554 1.00 0.00 O ATOM 1171 CB GLU A 84 -11.323 -4.771 3.399 1.00 0.00 C ATOM 1172 CG GLU A 84 -10.826 -4.387 2.016 1.00 0.00 C ATOM 1173 CD GLU A 84 -11.669 -3.303 1.373 1.00 0.00 C ATOM 1174 OE1 GLU A 84 -12.872 -3.547 1.140 1.00 0.00 O ATOM 1175 OE2 GLU A 84 -11.128 -2.210 1.104 1.00 0.00 O ATOM 0 H GLU A 84 -9.270 -4.249 4.670 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.103 -6.401 4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.353 -5.119 3.322 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.333 -3.884 4.032 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.794 -4.045 2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.826 -5.269 1.376 1.00 0.00 H new ATOM 1182 N THR A 85 -8.689 -6.692 2.668 1.00 0.00 N ATOM 1183 CA THR A 85 -8.071 -7.563 1.676 1.00 0.00 C ATOM 1184 C THR A 85 -7.732 -8.923 2.274 1.00 0.00 C ATOM 1185 O THR A 85 -7.565 -9.907 1.552 1.00 0.00 O ATOM 1186 CB THR A 85 -6.788 -6.935 1.099 1.00 0.00 C ATOM 1187 OG1 THR A 85 -6.017 -6.341 2.149 1.00 0.00 O ATOM 1188 CG2 THR A 85 -7.124 -5.883 0.053 1.00 0.00 C ATOM 0 H THR A 85 -8.067 -5.979 3.050 1.00 0.00 H new ATOM 0 HA THR A 85 -8.797 -7.693 0.873 1.00 0.00 H new ATOM 0 HB THR A 85 -6.206 -7.725 0.624 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.772 -5.426 1.898 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.203 -5.454 -0.340 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.685 -6.344 -0.760 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.726 -5.096 0.508 1.00 0.00 H new ATOM 1196 N LYS A 86 -7.633 -8.975 3.598 1.00 0.00 N ATOM 1197 CA LYS A 86 -7.316 -10.215 4.295 1.00 0.00 C ATOM 1198 C LYS A 86 -8.220 -11.350 3.824 1.00 0.00 C ATOM 1199 O LYS A 86 -7.760 -12.468 3.594 1.00 0.00 O ATOM 1200 CB LYS A 86 -7.462 -10.027 5.807 1.00 0.00 C ATOM 1201 CG LYS A 86 -6.951 -11.205 6.618 1.00 0.00 C ATOM 1202 CD LYS A 86 -7.277 -11.048 8.094 1.00 0.00 C ATOM 1203 CE LYS A 86 -6.801 -12.247 8.900 1.00 0.00 C ATOM 1204 NZ LYS A 86 -6.934 -12.018 10.366 1.00 0.00 N ATOM 0 H LYS A 86 -7.768 -8.171 4.211 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.283 -10.477 4.066 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.922 -9.129 6.107 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.513 -9.862 6.044 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.395 -12.127 6.242 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.872 -11.296 6.490 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.808 -10.141 8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.353 -10.928 8.219 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.378 -13.127 8.616 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.759 -12.457 8.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.599 -12.858 10.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.364 -11.193 10.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.932 -11.843 10.601 1.00 0.00 H new ATOM 1218 N SER A 87 -9.508 -11.054 3.681 1.00 0.00 N ATOM 1219 CA SER A 87 -10.477 -12.050 3.240 1.00 0.00 C ATOM 1220 C SER A 87 -10.098 -12.607 1.871 1.00 0.00 C ATOM 1221 O SER A 87 -10.123 -13.818 1.654 1.00 0.00 O ATOM 1222 CB SER A 87 -11.879 -11.439 3.184 1.00 0.00 C ATOM 1223 OG SER A 87 -12.444 -11.340 4.480 1.00 0.00 O ATOM 0 H SER A 87 -9.904 -10.132 3.864 1.00 0.00 H new ATOM 0 HA SER A 87 -10.474 -12.868 3.960 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.830 -10.450 2.729 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.521 -12.051 2.550 1.00 0.00 H new ATOM 0 HG SER A 87 -13.339 -10.945 4.417 1.00 0.00 H new ATOM 1229 N GLN A 88 -9.748 -11.714 0.952 1.00 0.00 N ATOM 1230 CA GLN A 88 -9.364 -12.115 -0.396 1.00 0.00 C ATOM 1231 C GLN A 88 -8.058 -12.902 -0.379 1.00 0.00 C ATOM 1232 O GLN A 88 -7.373 -12.968 0.643 1.00 0.00 O ATOM 1233 CB GLN A 88 -9.222 -10.887 -1.296 1.00 0.00 C ATOM 1234 CG GLN A 88 -10.307 -9.844 -1.080 1.00 0.00 C ATOM 1235 CD GLN A 88 -11.611 -10.451 -0.602 1.00 0.00 C ATOM 1236 OE1 GLN A 88 -12.056 -11.479 -1.113 1.00 0.00 O ATOM 1237 NE2 GLN A 88 -12.233 -9.816 0.385 1.00 0.00 N ATOM 0 H GLN A 88 -9.722 -10.708 1.116 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.149 -12.758 -0.793 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.249 -10.429 -1.120 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.240 -11.207 -2.338 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.962 -9.112 -0.350 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.481 -9.307 -2.012 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.829 -8.967 0.780 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.115 -10.178 0.748 1.00 0.00 H new ATOM 1246 N THR A 89 -7.718 -13.500 -1.517 1.00 0.00 N ATOM 1247 CA THR A 89 -6.494 -14.284 -1.632 1.00 0.00 C ATOM 1248 C THR A 89 -5.495 -13.609 -2.564 1.00 0.00 C ATOM 1249 O THR A 89 -4.416 -14.142 -2.823 1.00 0.00 O ATOM 1250 CB THR A 89 -6.785 -15.705 -2.151 1.00 0.00 C ATOM 1251 OG1 THR A 89 -7.581 -15.639 -3.339 1.00 0.00 O ATOM 1252 CG2 THR A 89 -7.506 -16.529 -1.096 1.00 0.00 C ATOM 0 H THR A 89 -8.273 -13.456 -2.372 1.00 0.00 H new ATOM 0 HA THR A 89 -6.065 -14.351 -0.632 1.00 0.00 H new ATOM 0 HB THR A 89 -5.834 -16.187 -2.378 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.760 -16.546 -3.664 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.701 -17.528 -1.485 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.884 -16.602 -0.204 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.451 -16.048 -0.842 1.00 0.00 H new ATOM 1260 N SER A 90 -5.860 -12.433 -3.065 1.00 0.00 N ATOM 1261 CA SER A 90 -4.995 -11.687 -3.971 1.00 0.00 C ATOM 1262 C SER A 90 -4.945 -10.212 -3.583 1.00 0.00 C ATOM 1263 O SER A 90 -5.953 -9.629 -3.183 1.00 0.00 O ATOM 1264 CB SER A 90 -5.488 -11.830 -5.413 1.00 0.00 C ATOM 1265 OG SER A 90 -6.723 -11.161 -5.599 1.00 0.00 O ATOM 0 H SER A 90 -6.749 -11.977 -2.859 1.00 0.00 H new ATOM 0 HA SER A 90 -3.989 -12.099 -3.895 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.744 -11.423 -6.097 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.602 -12.886 -5.658 1.00 0.00 H new ATOM 0 HG SER A 90 -7.015 -11.266 -6.528 1.00 0.00 H new ATOM 1271 N VAL A 91 -3.764 -9.615 -3.704 1.00 0.00 N ATOM 1272 CA VAL A 91 -3.581 -8.208 -3.367 1.00 0.00 C ATOM 1273 C VAL A 91 -2.627 -7.529 -4.343 1.00 0.00 C ATOM 1274 O VAL A 91 -1.466 -7.921 -4.470 1.00 0.00 O ATOM 1275 CB VAL A 91 -3.038 -8.040 -1.936 1.00 0.00 C ATOM 1276 CG1 VAL A 91 -2.587 -6.606 -1.700 1.00 0.00 C ATOM 1277 CG2 VAL A 91 -4.091 -8.450 -0.916 1.00 0.00 C ATOM 0 H VAL A 91 -2.920 -10.083 -4.033 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.561 -7.736 -3.434 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.173 -8.692 -1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.206 -6.507 -0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.799 -6.351 -2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.432 -5.931 -1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.691 -8.325 0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.976 -7.825 -1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.361 -9.494 -1.072 1.00 0.00 H new ATOM 1287 N THR A 92 -3.123 -6.507 -5.033 1.00 0.00 N ATOM 1288 CA THR A 92 -2.316 -5.772 -5.999 1.00 0.00 C ATOM 1289 C THR A 92 -1.893 -4.417 -5.445 1.00 0.00 C ATOM 1290 O THR A 92 -2.709 -3.501 -5.327 1.00 0.00 O ATOM 1291 CB THR A 92 -3.077 -5.559 -7.321 1.00 0.00 C ATOM 1292 OG1 THR A 92 -3.651 -6.795 -7.761 1.00 0.00 O ATOM 1293 CG2 THR A 92 -2.150 -5.014 -8.398 1.00 0.00 C ATOM 0 H THR A 92 -4.081 -6.169 -4.941 1.00 0.00 H new ATOM 0 HA THR A 92 -1.429 -6.375 -6.193 1.00 0.00 H new ATOM 0 HB THR A 92 -3.870 -4.833 -7.144 1.00 0.00 H new ATOM 0 HG1 THR A 92 -4.134 -6.650 -8.601 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.710 -4.872 -9.322 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.737 -4.059 -8.073 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.338 -5.720 -8.571 1.00 0.00 H new ATOM 1301 N LEU A 93 -0.614 -4.294 -5.107 1.00 0.00 N ATOM 1302 CA LEU A 93 -0.083 -3.048 -4.565 1.00 0.00 C ATOM 1303 C LEU A 93 0.434 -2.146 -5.681 1.00 0.00 C ATOM 1304 O LEU A 93 1.131 -2.601 -6.588 1.00 0.00 O ATOM 1305 CB LEU A 93 1.040 -3.340 -3.569 1.00 0.00 C ATOM 1306 CG LEU A 93 0.622 -4.030 -2.270 1.00 0.00 C ATOM 1307 CD1 LEU A 93 1.757 -3.996 -1.258 1.00 0.00 C ATOM 1308 CD2 LEU A 93 -0.627 -3.377 -1.697 1.00 0.00 C ATOM 0 H LEU A 93 0.074 -5.041 -5.199 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.892 -2.531 -4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.785 -3.963 -4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.528 -2.399 -3.316 1.00 0.00 H new ATOM 0 HG LEU A 93 0.393 -5.072 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.441 -4.492 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.626 -4.511 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.019 -2.961 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.910 -3.881 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.426 -2.326 -1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.442 -3.456 -2.417 1.00 0.00 H new ATOM 1320 N SER A 94 0.090 -0.864 -5.606 1.00 0.00 N ATOM 1321 CA SER A 94 0.519 0.102 -6.611 1.00 0.00 C ATOM 1322 C SER A 94 1.231 1.284 -5.960 1.00 0.00 C ATOM 1323 O SER A 94 0.603 2.115 -5.302 1.00 0.00 O ATOM 1324 CB SER A 94 -0.684 0.598 -7.417 1.00 0.00 C ATOM 1325 OG SER A 94 -0.936 -0.245 -8.528 1.00 0.00 O ATOM 0 H SER A 94 -0.484 -0.470 -4.860 1.00 0.00 H new ATOM 0 HA SER A 94 1.218 -0.396 -7.283 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.565 0.634 -6.776 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.500 1.615 -7.763 1.00 0.00 H new ATOM 0 HG SER A 94 -1.699 -0.827 -8.331 1.00 0.00 H new ATOM 1331 N ILE A 95 2.544 1.351 -6.148 1.00 0.00 N ATOM 1332 CA ILE A 95 3.342 2.431 -5.580 1.00 0.00 C ATOM 1333 C ILE A 95 3.968 3.287 -6.676 1.00 0.00 C ATOM 1334 O ILE A 95 3.753 3.048 -7.864 1.00 0.00 O ATOM 1335 CB ILE A 95 4.458 1.887 -4.669 1.00 0.00 C ATOM 1336 CG1 ILE A 95 5.470 1.085 -5.489 1.00 0.00 C ATOM 1337 CG2 ILE A 95 3.867 1.029 -3.561 1.00 0.00 C ATOM 1338 CD1 ILE A 95 6.813 0.931 -4.810 1.00 0.00 C ATOM 0 H ILE A 95 3.078 0.671 -6.689 1.00 0.00 H new ATOM 0 HA ILE A 95 2.665 3.044 -4.985 1.00 0.00 H new ATOM 0 HB ILE A 95 4.976 2.730 -4.211 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.059 0.096 -5.691 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.613 1.574 -6.453 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.669 0.652 -2.926 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.182 1.629 -2.963 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.327 0.190 -3.999 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.480 0.352 -5.449 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.246 1.915 -4.632 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.683 0.415 -3.859 1.00 0.00 H new ATOM 1350 N VAL A 96 4.745 4.286 -6.268 1.00 0.00 N ATOM 1351 CA VAL A 96 5.405 5.176 -7.215 1.00 0.00 C ATOM 1352 C VAL A 96 6.852 4.757 -7.447 1.00 0.00 C ATOM 1353 O VAL A 96 7.734 5.060 -6.643 1.00 0.00 O ATOM 1354 CB VAL A 96 5.378 6.636 -6.725 1.00 0.00 C ATOM 1355 CG1 VAL A 96 6.154 7.534 -7.677 1.00 0.00 C ATOM 1356 CG2 VAL A 96 3.943 7.120 -6.573 1.00 0.00 C ATOM 0 H VAL A 96 4.932 4.499 -5.288 1.00 0.00 H new ATOM 0 HA VAL A 96 4.854 5.104 -8.153 1.00 0.00 H new ATOM 0 HB VAL A 96 5.859 6.682 -5.748 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.124 8.561 -7.314 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.190 7.199 -7.731 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.705 7.486 -8.669 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.942 8.153 -6.226 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.435 7.060 -7.535 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.423 6.494 -5.848 1.00 0.00 H new