USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 720 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 34 LYS NZ :NH3+ -123:sc= -0.339 (180deg=-0.307) USER MOD Set 1.2: A 70 GLN : amide:sc= -0.813 K(o=-1.2,f=-2.8) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.226 K(o=0.23,f=-5.3!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1 K(o=-1,f=-6.2!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.583 K(o=-0.58,f=-0.061) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.0171 K(o=-0.017,f=-0.84) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -159:sc= -0.0724 (180deg=-0.428) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 68 HIS : no HE2:sc= 0.0222 K(o=0.022,f=-0.48) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -3.22! K(o=-3.2!,f=-0.19) USER MOD Single : A 75 SER OG : rot 180:sc= -0.0345 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -39:sc= 0.17 USER MOD Single : A 85 LYS NZ :NH3+ -139:sc= -2.77! (180deg=-4.38!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0305 USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 100 ASN : amide:sc= -3.5! C(o=-3.5!,f=-9.3!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N VAL A 11 -21.369 2.097 7.486 1.00 0.00 N ATOM 119 CA VAL A 11 -20.651 2.036 6.218 1.00 0.00 C ATOM 120 C VAL A 11 -20.407 0.592 5.794 1.00 0.00 C ATOM 121 O VAL A 11 -20.666 -0.342 6.553 1.00 0.00 O ATOM 122 CB VAL A 11 -19.300 2.771 6.303 1.00 0.00 C ATOM 123 CG1 VAL A 11 -19.510 4.236 6.653 1.00 0.00 C ATOM 124 CG2 VAL A 11 -18.390 2.096 7.317 1.00 0.00 C ATOM 0 HA VAL A 11 -21.278 2.528 5.474 1.00 0.00 H new ATOM 0 HB VAL A 11 -18.817 2.722 5.327 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -18.545 4.739 6.709 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -20.122 4.709 5.885 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -20.014 4.311 7.616 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -17.440 2.628 7.364 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -18.864 2.112 8.298 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -18.213 1.063 7.016 1.00 0.00 H new ATOM 134 N LYS A 12 -19.905 0.416 4.577 1.00 0.00 N ATOM 135 CA LYS A 12 -19.623 -0.914 4.050 1.00 0.00 C ATOM 136 C LYS A 12 -18.175 -1.311 4.321 1.00 0.00 C ATOM 137 O LYS A 12 -17.245 -0.620 3.906 1.00 0.00 O ATOM 138 CB LYS A 12 -19.902 -0.960 2.546 1.00 0.00 C ATOM 139 CG LYS A 12 -21.353 -1.251 2.206 1.00 0.00 C ATOM 140 CD LYS A 12 -21.515 -1.650 0.748 1.00 0.00 C ATOM 141 CE LYS A 12 -21.158 -3.112 0.527 1.00 0.00 C ATOM 142 NZ LYS A 12 -20.652 -3.357 -0.852 1.00 0.00 N ATOM 0 H LYS A 12 -19.685 1.178 3.936 1.00 0.00 H new ATOM 0 HA LYS A 12 -20.277 -1.624 4.556 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -19.618 -0.006 2.103 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -19.271 -1.723 2.091 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -21.724 -2.051 2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -21.960 -0.369 2.413 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -22.544 -1.474 0.434 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -20.879 -1.021 0.125 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -20.401 -3.414 1.251 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -22.037 -3.732 0.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -20.420 -4.365 -0.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -21.383 -3.092 -1.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -19.799 -2.785 -1.015 1.00 0.00 H new ATOM 156 N GLU A 13 -17.993 -2.427 5.019 1.00 0.00 N ATOM 157 CA GLU A 13 -16.657 -2.915 5.344 1.00 0.00 C ATOM 158 C GLU A 13 -15.994 -3.540 4.120 1.00 0.00 C ATOM 159 O GLU A 13 -16.254 -4.695 3.780 1.00 0.00 O ATOM 160 CB GLU A 13 -16.726 -3.939 6.479 1.00 0.00 C ATOM 161 CG GLU A 13 -17.287 -3.375 7.774 1.00 0.00 C ATOM 162 CD GLU A 13 -17.400 -4.422 8.865 1.00 0.00 C ATOM 163 OE1 GLU A 13 -16.397 -4.649 9.575 1.00 0.00 O ATOM 164 OE2 GLU A 13 -18.490 -5.014 9.009 1.00 0.00 O ATOM 0 H GLU A 13 -18.753 -3.010 5.370 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.056 -2.065 5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.343 -4.780 6.161 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.726 -4.330 6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.647 -2.563 8.120 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -18.271 -2.947 7.583 1.00 0.00 H new ATOM 171 N LEU A 14 -15.135 -2.769 3.462 1.00 0.00 N ATOM 172 CA LEU A 14 -14.433 -3.245 2.275 1.00 0.00 C ATOM 173 C LEU A 14 -13.253 -4.131 2.659 1.00 0.00 C ATOM 174 O LEU A 14 -12.738 -4.050 3.775 1.00 0.00 O ATOM 175 CB LEU A 14 -13.946 -2.062 1.437 1.00 0.00 C ATOM 176 CG LEU A 14 -14.995 -1.002 1.098 1.00 0.00 C ATOM 177 CD1 LEU A 14 -14.333 0.238 0.518 1.00 0.00 C ATOM 178 CD2 LEU A 14 -16.025 -1.563 0.127 1.00 0.00 C ATOM 0 H LEU A 14 -14.908 -1.812 3.730 1.00 0.00 H new ATOM 0 HA LEU A 14 -15.131 -3.838 1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.128 -1.577 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.534 -2.448 0.505 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.508 -0.718 2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.095 0.981 0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.635 0.652 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.794 -0.029 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.764 -0.795 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.527 -1.875 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.522 -2.421 0.580 1.00 0.00 H new ATOM 190 N THR A 15 -12.826 -4.977 1.727 1.00 0.00 N ATOM 191 CA THR A 15 -11.705 -5.877 1.967 1.00 0.00 C ATOM 192 C THR A 15 -10.460 -5.418 1.216 1.00 0.00 C ATOM 193 O THR A 15 -10.218 -5.832 0.082 1.00 0.00 O ATOM 194 CB THR A 15 -12.043 -7.319 1.544 1.00 0.00 C ATOM 195 OG1 THR A 15 -13.188 -7.786 2.267 1.00 0.00 O ATOM 196 CG2 THR A 15 -10.864 -8.247 1.797 1.00 0.00 C ATOM 0 H THR A 15 -13.240 -5.058 0.798 1.00 0.00 H new ATOM 0 HA THR A 15 -11.507 -5.857 3.039 1.00 0.00 H new ATOM 0 HB THR A 15 -12.263 -7.319 0.476 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.398 -8.703 1.991 1.00 0.00 H new ATOM 0 HG21 THR A 15 -11.126 -9.260 1.491 1.00 0.00 H new ATOM 0 HG22 THR A 15 -10.003 -7.906 1.223 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.618 -8.241 2.859 1.00 0.00 H new ATOM 204 N VAL A 16 -9.672 -4.560 1.856 1.00 0.00 N ATOM 205 CA VAL A 16 -8.450 -4.046 1.249 1.00 0.00 C ATOM 206 C VAL A 16 -7.268 -4.966 1.529 1.00 0.00 C ATOM 207 O VAL A 16 -7.052 -5.390 2.664 1.00 0.00 O ATOM 208 CB VAL A 16 -8.119 -2.632 1.764 1.00 0.00 C ATOM 209 CG1 VAL A 16 -6.834 -2.120 1.132 1.00 0.00 C ATOM 210 CG2 VAL A 16 -9.274 -1.681 1.489 1.00 0.00 C ATOM 0 H VAL A 16 -9.858 -4.206 2.794 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.625 -4.002 0.174 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.969 -2.683 2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.617 -1.120 1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.012 -2.789 1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.951 -2.083 0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.023 -0.687 1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.458 -1.633 0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.170 -2.041 1.995 1.00 0.00 H new ATOM 220 N SER A 17 -6.504 -5.273 0.485 1.00 0.00 N ATOM 221 CA SER A 17 -5.344 -6.147 0.617 1.00 0.00 C ATOM 222 C SER A 17 -4.290 -5.814 -0.434 1.00 0.00 C ATOM 223 O SER A 17 -4.593 -5.712 -1.622 1.00 0.00 O ATOM 224 CB SER A 17 -5.765 -7.612 0.487 1.00 0.00 C ATOM 225 OG SER A 17 -4.716 -8.481 0.877 1.00 0.00 O ATOM 0 H SER A 17 -6.668 -4.929 -0.461 1.00 0.00 H new ATOM 0 HA SER A 17 -4.911 -5.987 1.604 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.644 -7.797 1.105 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.051 -7.821 -0.544 1.00 0.00 H new ATOM 0 HG SER A 17 -5.011 -9.411 0.786 1.00 0.00 H new ATOM 231 N ALA A 18 -3.050 -5.646 0.013 1.00 0.00 N ATOM 232 CA ALA A 18 -1.949 -5.326 -0.888 1.00 0.00 C ATOM 233 C ALA A 18 -1.502 -6.559 -1.667 1.00 0.00 C ATOM 234 O ALA A 18 -1.229 -6.484 -2.864 1.00 0.00 O ATOM 235 CB ALA A 18 -0.782 -4.740 -0.109 1.00 0.00 C ATOM 0 H ALA A 18 -2.782 -5.726 0.994 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.302 -4.584 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.032 -4.506 -0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.103 -3.830 0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.438 -5.464 0.630 1.00 0.00 H new ATOM 241 N GLY A 19 -1.427 -7.694 -0.978 1.00 0.00 N ATOM 242 CA GLY A 19 -1.011 -8.926 -1.621 1.00 0.00 C ATOM 243 C GLY A 19 -0.234 -9.833 -0.688 1.00 0.00 C ATOM 244 O GLY A 19 -0.754 -10.846 -0.219 1.00 0.00 O ATOM 0 H GLY A 19 -1.647 -7.782 0.014 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.890 -9.455 -1.989 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.395 -8.689 -2.489 1.00 0.00 H new ATOM 248 N ASP A 20 1.016 -9.472 -0.419 1.00 0.00 N ATOM 249 CA ASP A 20 1.867 -10.261 0.463 1.00 0.00 C ATOM 250 C ASP A 20 3.176 -9.531 0.752 1.00 0.00 C ATOM 251 O ASP A 20 3.557 -8.612 0.028 1.00 0.00 O ATOM 252 CB ASP A 20 2.157 -11.627 -0.160 1.00 0.00 C ATOM 253 CG ASP A 20 2.918 -12.542 0.779 1.00 0.00 C ATOM 254 OD1 ASP A 20 2.455 -12.737 1.922 1.00 0.00 O ATOM 255 OD2 ASP A 20 3.978 -13.063 0.371 1.00 0.00 O ATOM 0 H ASP A 20 1.462 -8.637 -0.800 1.00 0.00 H new ATOM 0 HA ASP A 20 1.337 -10.405 1.404 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.217 -12.101 -0.442 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.733 -11.491 -1.076 1.00 0.00 H new ATOM 260 N ASN A 21 3.858 -9.948 1.813 1.00 0.00 N ATOM 261 CA ASN A 21 5.123 -9.332 2.198 1.00 0.00 C ATOM 262 C ASN A 21 6.140 -9.424 1.064 1.00 0.00 C ATOM 263 O ASN A 21 6.355 -10.494 0.494 1.00 0.00 O ATOM 264 CB ASN A 21 5.680 -10.006 3.454 1.00 0.00 C ATOM 265 CG ASN A 21 5.471 -11.508 3.446 1.00 0.00 C ATOM 266 OD1 ASN A 21 4.338 -11.988 3.483 1.00 0.00 O ATOM 267 ND2 ASN A 21 6.566 -12.258 3.397 1.00 0.00 N ATOM 0 H ASN A 21 3.557 -10.709 2.421 1.00 0.00 H new ATOM 0 HA ASN A 21 4.937 -8.279 2.411 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.745 -9.791 3.536 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.200 -9.580 4.335 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.488 -13.275 3.389 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.485 -11.817 3.368 1.00 0.00 H new ATOM 274 N LEU A 22 6.763 -8.296 0.744 1.00 0.00 N ATOM 275 CA LEU A 22 7.759 -8.248 -0.322 1.00 0.00 C ATOM 276 C LEU A 22 9.158 -8.047 0.249 1.00 0.00 C ATOM 277 O LEU A 22 9.342 -7.318 1.225 1.00 0.00 O ATOM 278 CB LEU A 22 7.429 -7.123 -1.304 1.00 0.00 C ATOM 279 CG LEU A 22 5.979 -7.054 -1.784 1.00 0.00 C ATOM 280 CD1 LEU A 22 5.448 -8.448 -2.078 1.00 0.00 C ATOM 281 CD2 LEU A 22 5.108 -6.356 -0.751 1.00 0.00 C ATOM 0 H LEU A 22 6.597 -7.402 1.207 1.00 0.00 H new ATOM 0 HA LEU A 22 7.737 -9.201 -0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.681 -6.172 -0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.075 -7.228 -2.176 1.00 0.00 H new ATOM 0 HG LEU A 22 5.949 -6.474 -2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.415 -8.379 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.056 -8.913 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.492 -9.053 -1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.079 -6.316 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.144 -6.908 0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.476 -5.343 -0.590 1.00 0.00 H new ATOM 293 N ILE A 23 10.142 -8.695 -0.366 1.00 0.00 N ATOM 294 CA ILE A 23 11.525 -8.584 0.080 1.00 0.00 C ATOM 295 C ILE A 23 12.459 -8.304 -1.092 1.00 0.00 C ATOM 296 O ILE A 23 12.544 -9.093 -2.034 1.00 0.00 O ATOM 297 CB ILE A 23 11.990 -9.865 0.797 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.112 -10.137 2.021 1.00 0.00 C ATOM 299 CG2 ILE A 23 13.451 -9.744 1.203 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.385 -11.474 2.675 1.00 0.00 C ATOM 0 H ILE A 23 10.007 -9.302 -1.174 1.00 0.00 H new ATOM 0 HA ILE A 23 11.565 -7.750 0.781 1.00 0.00 H new ATOM 0 HB ILE A 23 11.893 -10.705 0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.268 -9.345 2.753 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.064 -10.094 1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.765 -10.657 1.709 1.00 0.00 H new ATOM 0 HG22 ILE A 23 14.064 -9.592 0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.572 -8.896 1.877 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.727 -11.599 3.535 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.201 -12.274 1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 23 12.423 -11.513 3.004 1.00 0.00 H new ATOM 312 N ILE A 24 13.160 -7.177 -1.027 1.00 0.00 N ATOM 313 CA ILE A 24 14.091 -6.794 -2.082 1.00 0.00 C ATOM 314 C ILE A 24 15.536 -6.910 -1.608 1.00 0.00 C ATOM 315 O ILE A 24 15.801 -7.046 -0.413 1.00 0.00 O ATOM 316 CB ILE A 24 13.834 -5.355 -2.564 1.00 0.00 C ATOM 317 CG1 ILE A 24 13.343 -4.485 -1.405 1.00 0.00 C ATOM 318 CG2 ILE A 24 12.824 -5.350 -3.702 1.00 0.00 C ATOM 319 CD1 ILE A 24 13.063 -3.052 -1.801 1.00 0.00 C ATOM 0 H ILE A 24 13.101 -6.513 -0.255 1.00 0.00 H new ATOM 0 HA ILE A 24 13.927 -7.481 -2.913 1.00 0.00 H new ATOM 0 HB ILE A 24 14.771 -4.939 -2.934 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.435 -4.923 -0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 24 14.091 -4.495 -0.612 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.653 -4.325 -4.032 1.00 0.00 H new ATOM 0 HG22 ILE A 24 13.210 -5.939 -4.534 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.885 -5.782 -3.357 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.719 -2.494 -0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 24 13.975 -2.596 -2.187 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.293 -3.031 -2.572 1.00 0.00 H new ATOM 331 N THR A 25 16.469 -6.853 -2.553 1.00 0.00 N ATOM 332 CA THR A 25 17.888 -6.950 -2.233 1.00 0.00 C ATOM 333 C THR A 25 18.699 -5.921 -3.013 1.00 0.00 C ATOM 334 O THR A 25 18.632 -5.863 -4.241 1.00 0.00 O ATOM 335 CB THR A 25 18.437 -8.356 -2.538 1.00 0.00 C ATOM 336 OG1 THR A 25 17.678 -9.343 -1.829 1.00 0.00 O ATOM 337 CG2 THR A 25 19.904 -8.461 -2.147 1.00 0.00 C ATOM 0 H THR A 25 16.268 -6.740 -3.547 1.00 0.00 H new ATOM 0 HA THR A 25 17.986 -6.753 -1.165 1.00 0.00 H new ATOM 0 HB THR A 25 18.349 -8.531 -3.610 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.032 -10.234 -2.029 1.00 0.00 H new ATOM 0 HG21 THR A 25 20.270 -9.463 -2.372 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.484 -7.729 -2.709 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.011 -8.267 -1.080 1.00 0.00 H new ATOM 345 N LEU A 26 19.465 -5.110 -2.292 1.00 0.00 N ATOM 346 CA LEU A 26 20.291 -4.082 -2.916 1.00 0.00 C ATOM 347 C LEU A 26 21.073 -4.653 -4.095 1.00 0.00 C ATOM 348 O LEU A 26 21.342 -5.852 -4.170 1.00 0.00 O ATOM 349 CB LEU A 26 21.256 -3.483 -1.891 1.00 0.00 C ATOM 350 CG LEU A 26 20.648 -2.497 -0.894 1.00 0.00 C ATOM 351 CD1 LEU A 26 21.702 -2.020 0.095 1.00 0.00 C ATOM 352 CD2 LEU A 26 20.026 -1.315 -1.623 1.00 0.00 C ATOM 0 H LEU A 26 19.531 -5.144 -1.275 1.00 0.00 H new ATOM 0 HA LEU A 26 19.632 -3.297 -3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.713 -4.299 -1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 26 22.058 -2.977 -2.429 1.00 0.00 H new ATOM 0 HG LEU A 26 19.863 -3.010 -0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 26 21.251 -1.319 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 26 22.101 -2.874 0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.509 -1.525 -0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.598 -0.624 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 26 20.792 -0.802 -2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.241 -1.671 -2.291 1.00 0.00 H new ATOM 364 N PRO A 27 21.449 -3.776 -5.037 1.00 0.00 N ATOM 365 CA PRO A 27 21.133 -2.346 -4.958 1.00 0.00 C ATOM 366 C PRO A 27 19.647 -2.069 -5.154 1.00 0.00 C ATOM 367 O PRO A 27 19.147 -1.011 -4.770 1.00 0.00 O ATOM 368 CB PRO A 27 21.946 -1.740 -6.105 1.00 0.00 C ATOM 369 CG PRO A 27 22.122 -2.856 -7.076 1.00 0.00 C ATOM 370 CD PRO A 27 22.210 -4.111 -6.252 1.00 0.00 C ATOM 0 HA PRO A 27 21.373 -1.929 -3.980 1.00 0.00 H new ATOM 0 HB2 PRO A 27 21.423 -0.899 -6.560 1.00 0.00 H new ATOM 0 HB3 PRO A 27 22.908 -1.365 -5.754 1.00 0.00 H new ATOM 0 HG2 PRO A 27 21.284 -2.904 -7.772 1.00 0.00 H new ATOM 0 HG3 PRO A 27 23.024 -2.716 -7.672 1.00 0.00 H new ATOM 0 HD2 PRO A 27 21.778 -4.965 -6.774 1.00 0.00 H new ATOM 0 HD3 PRO A 27 23.244 -4.368 -6.021 1.00 0.00 H new ATOM 378 N ASP A 28 18.945 -3.025 -5.752 1.00 0.00 N ATOM 379 CA ASP A 28 17.514 -2.884 -5.998 1.00 0.00 C ATOM 380 C ASP A 28 16.817 -2.250 -4.798 1.00 0.00 C ATOM 381 O ASP A 28 16.528 -2.922 -3.809 1.00 0.00 O ATOM 382 CB ASP A 28 16.891 -4.247 -6.304 1.00 0.00 C ATOM 383 CG ASP A 28 17.457 -4.873 -7.563 1.00 0.00 C ATOM 384 OD1 ASP A 28 18.522 -5.519 -7.478 1.00 0.00 O ATOM 385 OD2 ASP A 28 16.835 -4.716 -8.635 1.00 0.00 O ATOM 0 H ASP A 28 19.343 -3.906 -6.076 1.00 0.00 H new ATOM 0 HA ASP A 28 17.381 -2.231 -6.860 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.059 -4.917 -5.461 1.00 0.00 H new ATOM 0 HB3 ASP A 28 15.812 -4.134 -6.411 1.00 0.00 H new ATOM 390 N ASN A 29 16.551 -0.952 -4.893 1.00 0.00 N ATOM 391 CA ASN A 29 15.890 -0.226 -3.815 1.00 0.00 C ATOM 392 C ASN A 29 14.579 0.389 -4.297 1.00 0.00 C ATOM 393 O ASN A 29 14.141 1.418 -3.785 1.00 0.00 O ATOM 394 CB ASN A 29 16.809 0.869 -3.269 1.00 0.00 C ATOM 395 CG ASN A 29 17.232 1.855 -4.340 1.00 0.00 C ATOM 396 OD1 ASN A 29 16.514 2.075 -5.316 1.00 0.00 O ATOM 397 ND2 ASN A 29 18.403 2.456 -4.162 1.00 0.00 N ATOM 0 H ASN A 29 16.783 -0.381 -5.706 1.00 0.00 H new ATOM 0 HA ASN A 29 15.667 -0.935 -3.017 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.297 1.403 -2.469 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.695 0.411 -2.830 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.740 3.130 -4.849 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.965 2.243 -3.338 1.00 0.00 H new ATOM 404 N GLU A 30 13.959 -0.251 -5.284 1.00 0.00 N ATOM 405 CA GLU A 30 12.699 0.234 -5.835 1.00 0.00 C ATOM 406 C GLU A 30 11.662 -0.884 -5.886 1.00 0.00 C ATOM 407 O GLU A 30 11.942 -1.985 -6.359 1.00 0.00 O ATOM 408 CB GLU A 30 12.917 0.807 -7.237 1.00 0.00 C ATOM 409 CG GLU A 30 14.111 1.741 -7.334 1.00 0.00 C ATOM 410 CD GLU A 30 14.290 2.316 -8.725 1.00 0.00 C ATOM 411 OE1 GLU A 30 13.396 3.061 -9.178 1.00 0.00 O ATOM 412 OE2 GLU A 30 15.324 2.021 -9.361 1.00 0.00 O ATOM 0 H GLU A 30 14.308 -1.105 -5.718 1.00 0.00 H new ATOM 0 HA GLU A 30 12.326 1.023 -5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.052 -0.015 -7.939 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.020 1.345 -7.544 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.989 2.556 -6.621 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.014 1.201 -7.049 1.00 0.00 H new ATOM 419 N VAL A 31 10.462 -0.593 -5.393 1.00 0.00 N ATOM 420 CA VAL A 31 9.382 -1.573 -5.383 1.00 0.00 C ATOM 421 C VAL A 31 8.037 -0.910 -5.657 1.00 0.00 C ATOM 422 O VAL A 31 7.787 0.213 -5.220 1.00 0.00 O ATOM 423 CB VAL A 31 9.311 -2.315 -4.035 1.00 0.00 C ATOM 424 CG1 VAL A 31 9.550 -1.353 -2.882 1.00 0.00 C ATOM 425 CG2 VAL A 31 7.970 -3.018 -3.885 1.00 0.00 C ATOM 0 H VAL A 31 10.213 0.313 -4.996 1.00 0.00 H new ATOM 0 HA VAL A 31 9.598 -2.291 -6.174 1.00 0.00 H new ATOM 0 HB VAL A 31 10.096 -3.071 -4.014 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.496 -1.896 -1.938 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.536 -0.900 -2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.789 -0.572 -2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.937 -3.537 -2.927 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.167 -2.282 -3.927 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.845 -3.739 -4.693 1.00 0.00 H new ATOM 435 N GLU A 32 7.173 -1.614 -6.383 1.00 0.00 N ATOM 436 CA GLU A 32 5.853 -1.093 -6.715 1.00 0.00 C ATOM 437 C GLU A 32 4.756 -1.956 -6.098 1.00 0.00 C ATOM 438 O GLU A 32 4.499 -3.072 -6.551 1.00 0.00 O ATOM 439 CB GLU A 32 5.673 -1.029 -8.233 1.00 0.00 C ATOM 440 CG GLU A 32 4.231 -0.825 -8.667 1.00 0.00 C ATOM 441 CD GLU A 32 4.117 -0.300 -10.085 1.00 0.00 C ATOM 442 OE1 GLU A 32 4.780 -0.861 -10.982 1.00 0.00 O ATOM 443 OE2 GLU A 32 3.364 0.674 -10.297 1.00 0.00 O ATOM 0 H GLU A 32 7.364 -2.546 -6.752 1.00 0.00 H new ATOM 0 HA GLU A 32 5.774 -0.087 -6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.281 -0.215 -8.629 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.049 -1.952 -8.674 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.695 -1.771 -8.590 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.746 -0.127 -7.985 1.00 0.00 H new ATOM 450 N LEU A 33 4.113 -1.432 -5.060 1.00 0.00 N ATOM 451 CA LEU A 33 3.044 -2.153 -4.379 1.00 0.00 C ATOM 452 C LEU A 33 1.685 -1.809 -4.980 1.00 0.00 C ATOM 453 O LEU A 33 1.481 -0.707 -5.490 1.00 0.00 O ATOM 454 CB LEU A 33 3.051 -1.824 -2.885 1.00 0.00 C ATOM 455 CG LEU A 33 4.398 -1.959 -2.174 1.00 0.00 C ATOM 456 CD1 LEU A 33 4.497 -0.970 -1.024 1.00 0.00 C ATOM 457 CD2 LEU A 33 4.597 -3.383 -1.675 1.00 0.00 C ATOM 0 H LEU A 33 4.314 -0.510 -4.672 1.00 0.00 H new ATOM 0 HA LEU A 33 3.219 -3.221 -4.511 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.696 -0.801 -2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.333 -2.475 -2.387 1.00 0.00 H new ATOM 0 HG LEU A 33 5.189 -1.732 -2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.462 -1.081 -0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.401 0.046 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.699 -1.164 -0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.561 -3.461 -1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.801 -3.638 -0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.572 -4.071 -2.520 1.00 0.00 H new ATOM 469 N LYS A 34 0.758 -2.758 -4.916 1.00 0.00 N ATOM 470 CA LYS A 34 -0.584 -2.555 -5.451 1.00 0.00 C ATOM 471 C LYS A 34 -1.642 -3.017 -4.454 1.00 0.00 C ATOM 472 O LYS A 34 -1.549 -4.111 -3.898 1.00 0.00 O ATOM 473 CB LYS A 34 -0.748 -3.311 -6.772 1.00 0.00 C ATOM 474 CG LYS A 34 -1.688 -2.628 -7.750 1.00 0.00 C ATOM 475 CD LYS A 34 -3.118 -3.114 -7.581 1.00 0.00 C ATOM 476 CE LYS A 34 -3.877 -3.082 -8.899 1.00 0.00 C ATOM 477 NZ LYS A 34 -3.666 -1.802 -9.629 1.00 0.00 N ATOM 0 H LYS A 34 0.911 -3.676 -4.499 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.720 -1.488 -5.630 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.230 -3.425 -7.240 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.120 -4.314 -6.563 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.649 -1.549 -7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.356 -2.820 -8.770 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.114 -4.130 -7.187 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.631 -2.490 -6.849 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.554 -3.914 -9.524 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.941 -3.220 -8.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.585 -1.350 -9.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.075 -1.168 -9.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.190 -1.993 -10.534 1.00 0.00 H new ATOM 491 N ALA A 35 -2.648 -2.177 -4.235 1.00 0.00 N ATOM 492 CA ALA A 35 -3.726 -2.500 -3.308 1.00 0.00 C ATOM 493 C ALA A 35 -4.866 -3.219 -4.022 1.00 0.00 C ATOM 494 O ALA A 35 -5.054 -3.061 -5.228 1.00 0.00 O ATOM 495 CB ALA A 35 -4.237 -1.237 -2.631 1.00 0.00 C ATOM 0 H ALA A 35 -2.739 -1.267 -4.687 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.328 -3.171 -2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.042 -1.494 -1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.424 -0.765 -2.080 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.612 -0.546 -3.386 1.00 0.00 H new ATOM 501 N PHE A 36 -5.624 -4.009 -3.269 1.00 0.00 N ATOM 502 CA PHE A 36 -6.745 -4.754 -3.830 1.00 0.00 C ATOM 503 C PHE A 36 -7.954 -4.701 -2.900 1.00 0.00 C ATOM 504 O PHE A 36 -7.954 -5.307 -1.829 1.00 0.00 O ATOM 505 CB PHE A 36 -6.344 -6.209 -4.081 1.00 0.00 C ATOM 506 CG PHE A 36 -5.433 -6.384 -5.262 1.00 0.00 C ATOM 507 CD1 PHE A 36 -5.929 -6.307 -6.554 1.00 0.00 C ATOM 508 CD2 PHE A 36 -4.081 -6.627 -5.081 1.00 0.00 C ATOM 509 CE1 PHE A 36 -5.093 -6.468 -7.643 1.00 0.00 C ATOM 510 CE2 PHE A 36 -3.240 -6.788 -6.166 1.00 0.00 C ATOM 511 CZ PHE A 36 -3.747 -6.710 -7.448 1.00 0.00 C ATOM 0 H PHE A 36 -5.482 -4.150 -2.269 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.018 -4.291 -4.778 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.851 -6.601 -3.191 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.244 -6.804 -4.235 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.981 -6.119 -6.712 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.680 -6.691 -4.080 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.492 -6.405 -8.645 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.188 -6.975 -6.011 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.092 -6.838 -8.297 1.00 0.00 H new ATOM 521 N VAL A 37 -8.983 -3.970 -3.317 1.00 0.00 N ATOM 522 CA VAL A 37 -10.198 -3.837 -2.523 1.00 0.00 C ATOM 523 C VAL A 37 -11.403 -4.406 -3.263 1.00 0.00 C ATOM 524 O VAL A 37 -11.605 -4.132 -4.445 1.00 0.00 O ATOM 525 CB VAL A 37 -10.477 -2.365 -2.166 1.00 0.00 C ATOM 526 CG1 VAL A 37 -10.587 -1.521 -3.427 1.00 0.00 C ATOM 527 CG2 VAL A 37 -11.741 -2.251 -1.327 1.00 0.00 C ATOM 0 H VAL A 37 -8.999 -3.461 -4.201 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.039 -4.402 -1.605 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.641 -1.988 -1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.784 -0.484 -3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.653 -1.578 -3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.403 -1.895 -4.045 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.923 -1.204 -1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -12.588 -2.646 -1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.619 -2.822 -0.406 1.00 0.00 H new ATOM 537 N ALA A 38 -12.202 -5.201 -2.558 1.00 0.00 N ATOM 538 CA ALA A 38 -13.389 -5.808 -3.147 1.00 0.00 C ATOM 539 C ALA A 38 -14.610 -5.602 -2.257 1.00 0.00 C ATOM 540 O ALA A 38 -14.519 -5.598 -1.029 1.00 0.00 O ATOM 541 CB ALA A 38 -13.157 -7.291 -3.394 1.00 0.00 C ATOM 0 H ALA A 38 -12.048 -5.439 -1.578 1.00 0.00 H new ATOM 0 HA ALA A 38 -13.581 -5.318 -4.102 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -14.052 -7.731 -3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.317 -7.419 -4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.936 -7.787 -2.449 1.00 0.00 H new ATOM 547 N PRO A 39 -15.781 -5.426 -2.888 1.00 0.00 N ATOM 548 CA PRO A 39 -15.901 -5.428 -4.349 1.00 0.00 C ATOM 549 C PRO A 39 -15.261 -4.198 -4.984 1.00 0.00 C ATOM 550 O PRO A 39 -15.189 -3.136 -4.368 1.00 0.00 O ATOM 551 CB PRO A 39 -17.414 -5.424 -4.580 1.00 0.00 C ATOM 552 CG PRO A 39 -17.983 -4.803 -3.352 1.00 0.00 C ATOM 553 CD PRO A 39 -17.077 -5.211 -2.223 1.00 0.00 C ATOM 0 HA PRO A 39 -15.390 -6.279 -4.800 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.677 -4.853 -5.471 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.795 -6.435 -4.725 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -18.024 -3.718 -3.447 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -19.003 -5.147 -3.178 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.013 -4.436 -1.459 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.431 -6.116 -1.730 1.00 0.00 H new ATOM 561 N ALA A 40 -14.799 -4.350 -6.221 1.00 0.00 N ATOM 562 CA ALA A 40 -14.168 -3.250 -6.941 1.00 0.00 C ATOM 563 C ALA A 40 -15.196 -2.203 -7.355 1.00 0.00 C ATOM 564 O ALA A 40 -16.312 -2.523 -7.767 1.00 0.00 O ATOM 565 CB ALA A 40 -13.426 -3.776 -8.161 1.00 0.00 C ATOM 0 H ALA A 40 -14.850 -5.224 -6.745 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.452 -2.773 -6.272 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.960 -2.945 -8.690 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.658 -4.481 -7.844 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.129 -4.280 -8.825 1.00 0.00 H new ATOM 571 N PRO A 41 -14.815 -0.922 -7.244 1.00 0.00 N ATOM 572 CA PRO A 41 -15.691 0.198 -7.603 1.00 0.00 C ATOM 573 C PRO A 41 -15.922 0.295 -9.107 1.00 0.00 C ATOM 574 O PRO A 41 -15.135 -0.201 -9.913 1.00 0.00 O ATOM 575 CB PRO A 41 -14.923 1.423 -7.099 1.00 0.00 C ATOM 576 CG PRO A 41 -13.495 0.998 -7.093 1.00 0.00 C ATOM 577 CD PRO A 41 -13.500 -0.468 -6.761 1.00 0.00 C ATOM 0 HA PRO A 41 -16.686 0.093 -7.170 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -15.077 2.283 -7.751 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -15.253 1.715 -6.102 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.031 1.177 -8.063 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.923 1.563 -6.357 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.685 -0.995 -7.257 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -13.384 -0.638 -5.691 1.00 0.00 H new ATOM 585 N PRO A 42 -17.027 0.949 -9.495 1.00 0.00 N ATOM 586 CA PRO A 42 -17.386 1.127 -10.905 1.00 0.00 C ATOM 587 C PRO A 42 -16.446 2.087 -11.627 1.00 0.00 C ATOM 588 O PRO A 42 -15.389 2.444 -11.107 1.00 0.00 O ATOM 589 CB PRO A 42 -18.800 1.711 -10.840 1.00 0.00 C ATOM 590 CG PRO A 42 -18.871 2.381 -9.511 1.00 0.00 C ATOM 591 CD PRO A 42 -18.010 1.565 -8.588 1.00 0.00 C ATOM 0 HA PRO A 42 -17.321 0.193 -11.463 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -18.974 2.419 -11.650 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -19.555 0.931 -10.931 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -18.512 3.408 -9.573 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -19.899 2.423 -9.150 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -17.527 2.187 -7.834 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -18.592 0.813 -8.055 1.00 0.00 H new ATOM 599 N VAL A 43 -16.838 2.501 -12.827 1.00 0.00 N ATOM 600 CA VAL A 43 -16.031 3.421 -13.620 1.00 0.00 C ATOM 601 C VAL A 43 -16.170 4.852 -13.111 1.00 0.00 C ATOM 602 O VAL A 43 -15.202 5.611 -13.094 1.00 0.00 O ATOM 603 CB VAL A 43 -16.426 3.376 -15.107 1.00 0.00 C ATOM 604 CG1 VAL A 43 -17.882 3.777 -15.286 1.00 0.00 C ATOM 605 CG2 VAL A 43 -15.513 4.274 -15.928 1.00 0.00 C ATOM 0 H VAL A 43 -17.710 2.214 -13.272 1.00 0.00 H new ATOM 0 HA VAL A 43 -14.994 3.101 -13.518 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.309 2.353 -15.465 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -18.142 3.739 -16.344 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.520 3.089 -14.730 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.029 4.790 -14.912 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -15.807 4.230 -16.977 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -15.595 5.301 -15.571 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.482 3.936 -15.825 1.00 0.00 H new ATOM 615 N GLU A 44 -17.381 5.212 -12.697 1.00 0.00 N ATOM 616 CA GLU A 44 -17.646 6.552 -12.189 1.00 0.00 C ATOM 617 C GLU A 44 -17.123 6.707 -10.763 1.00 0.00 C ATOM 618 O GLU A 44 -16.194 7.475 -10.510 1.00 0.00 O ATOM 619 CB GLU A 44 -19.146 6.849 -12.227 1.00 0.00 C ATOM 620 CG GLU A 44 -19.681 7.101 -13.627 1.00 0.00 C ATOM 621 CD GLU A 44 -21.178 6.879 -13.729 1.00 0.00 C ATOM 622 OE1 GLU A 44 -21.591 5.725 -13.968 1.00 0.00 O ATOM 623 OE2 GLU A 44 -21.935 7.859 -13.570 1.00 0.00 O ATOM 0 H GLU A 44 -18.193 4.595 -12.704 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.125 7.264 -12.829 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -19.685 6.010 -11.787 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.351 7.721 -11.606 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -19.448 8.124 -13.922 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -19.171 6.443 -14.331 1.00 0.00 H new ATOM 630 N THR A 45 -17.726 5.971 -9.835 1.00 0.00 N ATOM 631 CA THR A 45 -17.323 6.027 -8.435 1.00 0.00 C ATOM 632 C THR A 45 -16.052 5.220 -8.196 1.00 0.00 C ATOM 633 O THR A 45 -15.931 4.082 -8.650 1.00 0.00 O ATOM 634 CB THR A 45 -18.435 5.498 -7.509 1.00 0.00 C ATOM 635 OG1 THR A 45 -19.641 6.241 -7.717 1.00 0.00 O ATOM 636 CG2 THR A 45 -18.017 5.597 -6.050 1.00 0.00 C ATOM 0 H THR A 45 -18.495 5.329 -10.027 1.00 0.00 H new ATOM 0 HA THR A 45 -17.134 7.075 -8.202 1.00 0.00 H new ATOM 0 HB THR A 45 -18.609 4.449 -7.750 1.00 0.00 H new ATOM 0 HG1 THR A 45 -20.343 5.897 -7.126 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.818 5.218 -5.415 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.116 5.006 -5.889 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.817 6.639 -5.799 1.00 0.00 H new ATOM 644 N THR A 46 -15.104 5.817 -7.480 1.00 0.00 N ATOM 645 CA THR A 46 -13.841 5.154 -7.181 1.00 0.00 C ATOM 646 C THR A 46 -13.361 5.494 -5.774 1.00 0.00 C ATOM 647 O THR A 46 -13.626 6.582 -5.264 1.00 0.00 O ATOM 648 CB THR A 46 -12.748 5.547 -8.193 1.00 0.00 C ATOM 649 OG1 THR A 46 -11.524 4.874 -7.876 1.00 0.00 O ATOM 650 CG2 THR A 46 -12.521 7.051 -8.189 1.00 0.00 C ATOM 0 H THR A 46 -15.187 6.759 -7.097 1.00 0.00 H new ATOM 0 HA THR A 46 -14.022 4.081 -7.251 1.00 0.00 H new ATOM 0 HB THR A 46 -13.080 5.249 -9.187 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.834 5.127 -8.524 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.745 7.304 -8.911 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.447 7.559 -8.458 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.208 7.369 -7.194 1.00 0.00 H new ATOM 658 N TYR A 47 -12.655 4.556 -5.153 1.00 0.00 N ATOM 659 CA TYR A 47 -12.139 4.756 -3.804 1.00 0.00 C ATOM 660 C TYR A 47 -10.808 5.501 -3.834 1.00 0.00 C ATOM 661 O TYR A 47 -10.185 5.639 -4.885 1.00 0.00 O ATOM 662 CB TYR A 47 -11.967 3.410 -3.097 1.00 0.00 C ATOM 663 CG TYR A 47 -13.181 2.514 -3.197 1.00 0.00 C ATOM 664 CD1 TYR A 47 -14.465 3.044 -3.165 1.00 0.00 C ATOM 665 CD2 TYR A 47 -13.044 1.137 -3.323 1.00 0.00 C ATOM 666 CE1 TYR A 47 -15.577 2.229 -3.255 1.00 0.00 C ATOM 667 CE2 TYR A 47 -14.150 0.315 -3.416 1.00 0.00 C ATOM 668 CZ TYR A 47 -15.414 0.865 -3.381 1.00 0.00 C ATOM 669 OH TYR A 47 -16.519 0.050 -3.472 1.00 0.00 O ATOM 0 H TYR A 47 -12.427 3.650 -5.562 1.00 0.00 H new ATOM 0 HA TYR A 47 -12.860 5.360 -3.253 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -11.108 2.892 -3.523 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.743 3.588 -2.045 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -14.596 4.112 -3.068 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.056 0.702 -3.349 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -16.568 2.657 -3.227 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -14.025 -0.753 -3.516 1.00 0.00 H new ATOM 0 HH TYR A 47 -16.231 -0.883 -3.557 1.00 0.00 H new ATOM 679 N ASN A 48 -10.379 5.979 -2.670 1.00 0.00 N ATOM 680 CA ASN A 48 -9.122 6.711 -2.561 1.00 0.00 C ATOM 681 C ASN A 48 -8.049 5.853 -1.897 1.00 0.00 C ATOM 682 O ASN A 48 -8.306 5.187 -0.894 1.00 0.00 O ATOM 683 CB ASN A 48 -9.326 8.000 -1.764 1.00 0.00 C ATOM 684 CG ASN A 48 -8.239 9.023 -2.032 1.00 0.00 C ATOM 685 OD1 ASN A 48 -7.309 9.179 -1.240 1.00 0.00 O ATOM 686 ND2 ASN A 48 -8.352 9.727 -3.152 1.00 0.00 N ATOM 0 H ASN A 48 -10.883 5.873 -1.790 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.789 6.964 -3.568 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.296 8.430 -2.015 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.347 7.766 -0.700 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.651 10.431 -3.385 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.140 9.564 -3.779 1.00 0.00 H new ATOM 693 N TYR A 49 -6.848 5.875 -2.463 1.00 0.00 N ATOM 694 CA TYR A 49 -5.736 5.098 -1.927 1.00 0.00 C ATOM 695 C TYR A 49 -4.743 5.999 -1.200 1.00 0.00 C ATOM 696 O TYR A 49 -4.022 6.776 -1.825 1.00 0.00 O ATOM 697 CB TYR A 49 -5.027 4.341 -3.051 1.00 0.00 C ATOM 698 CG TYR A 49 -5.965 3.541 -3.927 1.00 0.00 C ATOM 699 CD1 TYR A 49 -6.463 2.314 -3.507 1.00 0.00 C ATOM 700 CD2 TYR A 49 -6.351 4.011 -5.176 1.00 0.00 C ATOM 701 CE1 TYR A 49 -7.319 1.579 -4.304 1.00 0.00 C ATOM 702 CE2 TYR A 49 -7.208 3.284 -5.980 1.00 0.00 C ATOM 703 CZ TYR A 49 -7.689 2.069 -5.539 1.00 0.00 C ATOM 704 OH TYR A 49 -8.541 1.341 -6.337 1.00 0.00 O ATOM 0 H TYR A 49 -6.619 6.422 -3.293 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.138 4.380 -1.212 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.483 5.054 -3.671 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.288 3.669 -2.615 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -6.176 1.928 -2.540 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.975 4.961 -5.525 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.696 0.627 -3.962 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.499 3.665 -6.948 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.702 1.827 -7.173 1.00 0.00 H new ATOM 714 N GLU A 50 -4.712 5.887 0.124 1.00 0.00 N ATOM 715 CA GLU A 50 -3.807 6.692 0.937 1.00 0.00 C ATOM 716 C GLU A 50 -2.805 5.807 1.674 1.00 0.00 C ATOM 717 O GLU A 50 -3.158 5.114 2.628 1.00 0.00 O ATOM 718 CB GLU A 50 -4.598 7.531 1.942 1.00 0.00 C ATOM 719 CG GLU A 50 -3.729 8.210 2.987 1.00 0.00 C ATOM 720 CD GLU A 50 -4.520 8.666 4.197 1.00 0.00 C ATOM 721 OE1 GLU A 50 -5.062 9.791 4.161 1.00 0.00 O ATOM 722 OE2 GLU A 50 -4.597 7.899 5.180 1.00 0.00 O ATOM 0 H GLU A 50 -5.302 5.248 0.656 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.257 7.358 0.272 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.163 8.291 1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.323 6.891 2.445 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.947 7.521 3.307 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.232 9.070 2.538 1.00 0.00 H new ATOM 729 N TRP A 51 -1.556 5.836 1.223 1.00 0.00 N ATOM 730 CA TRP A 51 -0.503 5.037 1.839 1.00 0.00 C ATOM 731 C TRP A 51 0.209 5.825 2.933 1.00 0.00 C ATOM 732 O TRP A 51 0.365 7.041 2.833 1.00 0.00 O ATOM 733 CB TRP A 51 0.505 4.582 0.782 1.00 0.00 C ATOM 734 CG TRP A 51 -0.062 3.596 -0.194 1.00 0.00 C ATOM 735 CD1 TRP A 51 -0.726 3.880 -1.354 1.00 0.00 C ATOM 736 CD2 TRP A 51 -0.017 2.169 -0.094 1.00 0.00 C ATOM 737 NE1 TRP A 51 -1.095 2.715 -1.981 1.00 0.00 N ATOM 738 CE2 TRP A 51 -0.672 1.651 -1.229 1.00 0.00 C ATOM 739 CE3 TRP A 51 0.514 1.278 0.842 1.00 0.00 C ATOM 740 CZ2 TRP A 51 -0.809 0.283 -1.449 1.00 0.00 C ATOM 741 CZ3 TRP A 51 0.377 -0.079 0.622 1.00 0.00 C ATOM 742 CH2 TRP A 51 -0.279 -0.566 -0.516 1.00 0.00 C ATOM 0 H TRP A 51 -1.248 6.404 0.434 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.965 4.160 2.292 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.868 5.454 0.237 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.366 4.136 1.280 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.931 4.874 -1.723 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.602 2.652 -2.864 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.023 1.644 1.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -1.316 -0.095 -2.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.783 -0.777 1.340 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -0.368 -1.633 -0.660 1.00 0.00 H new ATOM 753 N ASN A 52 0.640 5.123 3.977 1.00 0.00 N ATOM 754 CA ASN A 52 1.336 5.758 5.090 1.00 0.00 C ATOM 755 C ASN A 52 2.349 4.804 5.714 1.00 0.00 C ATOM 756 O ASN A 52 2.146 3.589 5.731 1.00 0.00 O ATOM 757 CB ASN A 52 0.333 6.219 6.150 1.00 0.00 C ATOM 758 CG ASN A 52 -0.185 7.620 5.886 1.00 0.00 C ATOM 759 OD1 ASN A 52 0.397 8.604 6.341 1.00 0.00 O ATOM 760 ND2 ASN A 52 -1.285 7.714 5.147 1.00 0.00 N ATOM 0 H ASN A 52 0.519 4.115 4.075 1.00 0.00 H new ATOM 0 HA ASN A 52 1.871 6.626 4.703 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.506 5.524 6.179 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.806 6.189 7.131 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.681 8.630 4.936 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.734 6.870 4.791 1.00 0.00 H new ATOM 767 N LEU A 53 3.441 5.361 6.226 1.00 0.00 N ATOM 768 CA LEU A 53 4.487 4.560 6.852 1.00 0.00 C ATOM 769 C LEU A 53 4.368 4.601 8.372 1.00 0.00 C ATOM 770 O LEU A 53 4.714 5.600 9.004 1.00 0.00 O ATOM 771 CB LEU A 53 5.867 5.062 6.423 1.00 0.00 C ATOM 772 CG LEU A 53 7.052 4.172 6.799 1.00 0.00 C ATOM 773 CD1 LEU A 53 6.732 2.711 6.522 1.00 0.00 C ATOM 774 CD2 LEU A 53 8.301 4.599 6.043 1.00 0.00 C ATOM 0 H LEU A 53 3.625 6.364 6.220 1.00 0.00 H new ATOM 0 HA LEU A 53 4.365 3.528 6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.864 5.191 5.341 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.025 6.048 6.861 1.00 0.00 H new ATOM 0 HG LEU A 53 7.242 4.285 7.866 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.587 2.093 6.796 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.864 2.411 7.110 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.515 2.581 5.462 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.134 3.954 6.323 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.123 4.517 4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.542 5.632 6.293 1.00 0.00 H new ATOM 786 N ILE A 54 3.880 3.510 8.952 1.00 0.00 N ATOM 787 CA ILE A 54 3.719 3.421 10.398 1.00 0.00 C ATOM 788 C ILE A 54 4.879 2.663 11.034 1.00 0.00 C ATOM 789 O ILE A 54 5.132 2.786 12.232 1.00 0.00 O ATOM 790 CB ILE A 54 2.397 2.727 10.776 1.00 0.00 C ATOM 791 CG1 ILE A 54 2.302 1.359 10.097 1.00 0.00 C ATOM 792 CG2 ILE A 54 1.212 3.599 10.390 1.00 0.00 C ATOM 793 CD1 ILE A 54 1.542 1.384 8.790 1.00 0.00 C ATOM 0 H ILE A 54 3.589 2.675 8.443 1.00 0.00 H new ATOM 0 HA ILE A 54 3.704 4.443 10.778 1.00 0.00 H new ATOM 0 HB ILE A 54 2.377 2.578 11.856 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.308 0.982 9.915 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.817 0.658 10.776 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.285 3.095 10.663 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.275 4.552 10.915 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.225 3.776 9.314 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.515 0.380 8.366 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.524 1.730 8.968 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.039 2.059 8.093 1.00 0.00 H new ATOM 805 N SER A 55 5.582 1.878 10.223 1.00 0.00 N ATOM 806 CA SER A 55 6.714 1.098 10.707 1.00 0.00 C ATOM 807 C SER A 55 7.940 1.315 9.826 1.00 0.00 C ATOM 808 O SER A 55 7.924 1.008 8.633 1.00 0.00 O ATOM 809 CB SER A 55 6.357 -0.390 10.745 1.00 0.00 C ATOM 810 OG SER A 55 7.057 -1.056 11.781 1.00 0.00 O ATOM 0 H SER A 55 5.387 1.766 9.228 1.00 0.00 H new ATOM 0 HA SER A 55 6.949 1.434 11.717 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.284 -0.506 10.894 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.597 -0.849 9.786 1.00 0.00 H new ATOM 0 HG SER A 55 6.810 -2.004 11.785 1.00 0.00 H new ATOM 816 N HIS A 56 9.002 1.848 10.421 1.00 0.00 N ATOM 817 CA HIS A 56 10.238 2.107 9.692 1.00 0.00 C ATOM 818 C HIS A 56 11.352 2.536 10.643 1.00 0.00 C ATOM 819 O HIS A 56 11.118 3.209 11.647 1.00 0.00 O ATOM 820 CB HIS A 56 10.014 3.187 8.633 1.00 0.00 C ATOM 821 CG HIS A 56 9.961 4.574 9.194 1.00 0.00 C ATOM 822 ND1 HIS A 56 10.991 5.481 9.057 1.00 0.00 N ATOM 823 CD2 HIS A 56 8.993 5.210 9.894 1.00 0.00 C ATOM 824 CE1 HIS A 56 10.660 6.613 9.651 1.00 0.00 C ATOM 825 NE2 HIS A 56 9.451 6.475 10.167 1.00 0.00 N ATOM 0 H HIS A 56 9.031 2.109 11.407 1.00 0.00 H new ATOM 0 HA HIS A 56 10.540 1.182 9.200 1.00 0.00 H new ATOM 0 HB2 HIS A 56 10.815 3.133 7.895 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.082 2.981 8.107 1.00 0.00 H new ATOM 0 HD2 HIS A 56 8.037 4.799 10.184 1.00 0.00 H new ATOM 0 HE1 HIS A 56 11.273 7.501 9.706 1.00 0.00 H new ATOM 0 HE2 HIS A 56 8.941 7.192 10.684 1.00 0.00 H new ATOM 834 N PRO A 57 12.591 2.136 10.323 1.00 0.00 N ATOM 835 CA PRO A 57 13.765 2.467 11.137 1.00 0.00 C ATOM 836 C PRO A 57 14.119 3.948 11.067 1.00 0.00 C ATOM 837 O PRO A 57 14.044 4.567 10.005 1.00 0.00 O ATOM 838 CB PRO A 57 14.878 1.621 10.514 1.00 0.00 C ATOM 839 CG PRO A 57 14.444 1.401 9.106 1.00 0.00 C ATOM 840 CD PRO A 57 12.943 1.330 9.141 1.00 0.00 C ATOM 0 HA PRO A 57 13.598 2.264 12.195 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.838 2.136 10.556 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.000 0.676 11.043 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.781 2.214 8.462 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.869 0.480 8.706 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.500 1.736 8.231 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.591 0.303 9.236 1.00 0.00 H new ATOM 848 N THR A 58 14.506 4.513 12.207 1.00 0.00 N ATOM 849 CA THR A 58 14.872 5.922 12.276 1.00 0.00 C ATOM 850 C THR A 58 15.971 6.255 11.274 1.00 0.00 C ATOM 851 O THR A 58 16.084 7.392 10.815 1.00 0.00 O ATOM 852 CB THR A 58 15.345 6.312 13.689 1.00 0.00 C ATOM 853 OG1 THR A 58 15.159 7.716 13.899 1.00 0.00 O ATOM 854 CG2 THR A 58 16.811 5.955 13.885 1.00 0.00 C ATOM 0 H THR A 58 14.574 4.016 13.095 1.00 0.00 H new ATOM 0 HA THR A 58 13.976 6.493 12.031 1.00 0.00 H new ATOM 0 HB THR A 58 14.751 5.756 14.414 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.461 7.955 14.800 1.00 0.00 H new ATOM 0 HG21 THR A 58 17.124 6.239 14.890 1.00 0.00 H new ATOM 0 HG22 THR A 58 16.945 4.881 13.754 1.00 0.00 H new ATOM 0 HG23 THR A 58 17.416 6.488 13.152 1.00 0.00 H new ATOM 862 N ASP A 59 16.780 5.256 10.938 1.00 0.00 N ATOM 863 CA ASP A 59 17.871 5.442 9.988 1.00 0.00 C ATOM 864 C ASP A 59 17.334 5.822 8.611 1.00 0.00 C ATOM 865 O ASP A 59 17.949 6.608 7.890 1.00 0.00 O ATOM 866 CB ASP A 59 18.711 4.168 9.887 1.00 0.00 C ATOM 867 CG ASP A 59 19.760 4.251 8.796 1.00 0.00 C ATOM 868 OD1 ASP A 59 20.804 4.896 9.025 1.00 0.00 O ATOM 869 OD2 ASP A 59 19.537 3.672 7.712 1.00 0.00 O ATOM 0 H ASP A 59 16.701 4.309 11.309 1.00 0.00 H new ATOM 0 HA ASP A 59 18.500 6.255 10.350 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.200 3.982 10.843 1.00 0.00 H new ATOM 0 HB3 ASP A 59 18.056 3.319 9.693 1.00 0.00 H new ATOM 874 N TYR A 60 16.185 5.259 8.254 1.00 0.00 N ATOM 875 CA TYR A 60 15.568 5.536 6.963 1.00 0.00 C ATOM 876 C TYR A 60 15.504 7.038 6.700 1.00 0.00 C ATOM 877 O TYR A 60 15.353 7.834 7.626 1.00 0.00 O ATOM 878 CB TYR A 60 14.161 4.938 6.908 1.00 0.00 C ATOM 879 CG TYR A 60 13.455 5.169 5.591 1.00 0.00 C ATOM 880 CD1 TYR A 60 14.091 4.906 4.384 1.00 0.00 C ATOM 881 CD2 TYR A 60 12.153 5.652 5.553 1.00 0.00 C ATOM 882 CE1 TYR A 60 13.451 5.117 3.178 1.00 0.00 C ATOM 883 CE2 TYR A 60 11.504 5.865 4.352 1.00 0.00 C ATOM 884 CZ TYR A 60 12.157 5.596 3.168 1.00 0.00 C ATOM 885 OH TYR A 60 11.515 5.807 1.969 1.00 0.00 O ATOM 0 H TYR A 60 15.662 4.608 8.841 1.00 0.00 H new ATOM 0 HA TYR A 60 16.183 5.076 6.189 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.224 3.866 7.094 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.562 5.366 7.712 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.103 4.530 4.389 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.639 5.865 6.479 1.00 0.00 H new ATOM 0 HE1 TYR A 60 13.960 4.908 2.249 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.491 6.240 4.341 1.00 0.00 H new ATOM 0 HH TYR A 60 10.610 6.145 2.137 1.00 0.00 H new ATOM 934 N ILE A 64 7.977 8.852 1.377 1.00 0.00 N ATOM 935 CA ILE A 64 6.873 8.260 0.632 1.00 0.00 C ATOM 936 C ILE A 64 5.820 9.307 0.284 1.00 0.00 C ATOM 937 O ILE A 64 5.537 10.207 1.075 1.00 0.00 O ATOM 938 CB ILE A 64 6.205 7.121 1.425 1.00 0.00 C ATOM 939 CG1 ILE A 64 7.255 6.109 1.888 1.00 0.00 C ATOM 940 CG2 ILE A 64 5.140 6.440 0.578 1.00 0.00 C ATOM 941 CD1 ILE A 64 6.735 5.126 2.914 1.00 0.00 C ATOM 0 HA ILE A 64 7.295 7.853 -0.287 1.00 0.00 H new ATOM 0 HB ILE A 64 5.723 7.545 2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.623 5.558 1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.105 6.646 2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.677 5.637 1.152 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.380 7.168 0.294 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.599 6.026 -0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.533 4.439 3.197 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.393 5.667 3.796 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.904 4.562 2.490 1.00 0.00 H new ATOM 953 N LYS A 65 5.241 9.183 -0.906 1.00 0.00 N ATOM 954 CA LYS A 65 4.217 10.116 -1.360 1.00 0.00 C ATOM 955 C LYS A 65 2.822 9.595 -1.030 1.00 0.00 C ATOM 956 O LYS A 65 1.841 9.977 -1.668 1.00 0.00 O ATOM 957 CB LYS A 65 4.343 10.350 -2.867 1.00 0.00 C ATOM 958 CG LYS A 65 5.545 11.194 -3.254 1.00 0.00 C ATOM 959 CD LYS A 65 5.405 11.754 -4.659 1.00 0.00 C ATOM 960 CE LYS A 65 5.798 10.728 -5.710 1.00 0.00 C ATOM 961 NZ LYS A 65 7.250 10.400 -5.649 1.00 0.00 N ATOM 0 H LYS A 65 5.464 8.445 -1.574 1.00 0.00 H new ATOM 0 HA LYS A 65 4.365 11.062 -0.838 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.409 9.386 -3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.437 10.837 -3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.659 12.014 -2.545 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.450 10.590 -3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.375 12.070 -4.825 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.031 12.640 -4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.214 9.819 -5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.553 11.111 -6.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.554 9.998 -6.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.793 11.265 -5.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.418 9.708 -4.891 1.00 0.00 H new ATOM 975 N GLN A 66 2.742 8.723 -0.030 1.00 0.00 N ATOM 976 CA GLN A 66 1.466 8.151 0.384 1.00 0.00 C ATOM 977 C GLN A 66 0.732 7.540 -0.805 1.00 0.00 C ATOM 978 O GLN A 66 -0.493 7.424 -0.799 1.00 0.00 O ATOM 979 CB GLN A 66 0.593 9.221 1.042 1.00 0.00 C ATOM 980 CG GLN A 66 1.184 9.784 2.324 1.00 0.00 C ATOM 981 CD GLN A 66 0.775 11.223 2.573 1.00 0.00 C ATOM 982 OE1 GLN A 66 -0.394 11.581 2.432 1.00 0.00 O ATOM 983 NE2 GLN A 66 1.739 12.056 2.946 1.00 0.00 N ATOM 0 H GLN A 66 3.545 8.397 0.508 1.00 0.00 H new ATOM 0 HA GLN A 66 1.668 7.361 1.108 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.437 10.036 0.335 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.387 8.796 1.259 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.867 9.169 3.166 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.271 9.722 2.276 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.695 11.716 3.051 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.524 13.036 3.128 1.00 0.00 H new ATOM 992 N GLY A 67 1.490 7.151 -1.826 1.00 0.00 N ATOM 993 CA GLY A 67 0.894 6.557 -3.009 1.00 0.00 C ATOM 994 C GLY A 67 -0.475 7.130 -3.318 1.00 0.00 C ATOM 995 O GLY A 67 -1.493 6.465 -3.122 1.00 0.00 O ATOM 0 H GLY A 67 2.506 7.237 -1.855 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.552 6.716 -3.863 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.810 5.479 -2.868 1.00 0.00 H new ATOM 999 N HIS A 68 -0.501 8.368 -3.802 1.00 0.00 N ATOM 1000 CA HIS A 68 -1.756 9.031 -4.138 1.00 0.00 C ATOM 1001 C HIS A 68 -2.603 8.157 -5.059 1.00 0.00 C ATOM 1002 O HIS A 68 -3.800 8.389 -5.225 1.00 0.00 O ATOM 1003 CB HIS A 68 -1.483 10.379 -4.804 1.00 0.00 C ATOM 1004 CG HIS A 68 -1.186 11.479 -3.831 1.00 0.00 C ATOM 1005 ND1 HIS A 68 -0.636 11.254 -2.586 1.00 0.00 N ATOM 1006 CD2 HIS A 68 -1.363 12.817 -3.926 1.00 0.00 C ATOM 1007 CE1 HIS A 68 -0.490 12.406 -1.957 1.00 0.00 C ATOM 1008 NE2 HIS A 68 -0.923 13.371 -2.749 1.00 0.00 N ATOM 0 H HIS A 68 0.332 8.932 -3.970 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.309 9.197 -3.214 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.641 10.273 -5.488 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.348 10.660 -5.405 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -0.382 10.341 -2.210 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.774 13.350 -4.771 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.086 12.537 -0.964 1.00 0.00 H new ATOM 1017 N LYS A 69 -1.972 7.152 -5.657 1.00 0.00 N ATOM 1018 CA LYS A 69 -2.665 6.243 -6.561 1.00 0.00 C ATOM 1019 C LYS A 69 -2.872 4.879 -5.910 1.00 0.00 C ATOM 1020 O LYS A 69 -2.558 4.690 -4.735 1.00 0.00 O ATOM 1021 CB LYS A 69 -1.875 6.084 -7.862 1.00 0.00 C ATOM 1022 CG LYS A 69 -2.214 7.128 -8.912 1.00 0.00 C ATOM 1023 CD LYS A 69 -1.045 7.378 -9.848 1.00 0.00 C ATOM 1024 CE LYS A 69 -1.469 8.181 -11.068 1.00 0.00 C ATOM 1025 NZ LYS A 69 -0.459 8.107 -12.160 1.00 0.00 N ATOM 0 H LYS A 69 -0.981 6.947 -5.531 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.642 6.670 -6.786 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.809 6.138 -7.639 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.065 5.093 -8.273 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.078 6.798 -9.488 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.495 8.060 -8.422 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.259 7.912 -9.315 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.623 6.425 -10.167 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.426 7.809 -11.433 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.620 9.222 -10.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.785 8.667 -12.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.448 8.486 -11.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.333 7.116 -12.450 1.00 0.00 H new ATOM 1039 N GLN A 70 -3.400 3.934 -6.680 1.00 0.00 N ATOM 1040 CA GLN A 70 -3.647 2.588 -6.176 1.00 0.00 C ATOM 1041 C GLN A 70 -2.337 1.834 -5.974 1.00 0.00 C ATOM 1042 O GLN A 70 -2.303 0.790 -5.321 1.00 0.00 O ATOM 1043 CB GLN A 70 -4.549 1.817 -7.141 1.00 0.00 C ATOM 1044 CG GLN A 70 -5.026 0.482 -6.593 1.00 0.00 C ATOM 1045 CD GLN A 70 -5.643 -0.400 -7.661 1.00 0.00 C ATOM 1046 OE1 GLN A 70 -5.818 0.020 -8.805 1.00 0.00 O ATOM 1047 NE2 GLN A 70 -5.977 -1.631 -7.291 1.00 0.00 N ATOM 0 H GLN A 70 -3.665 4.075 -7.655 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.148 2.674 -5.212 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.416 2.431 -7.384 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.009 1.646 -8.072 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.185 -0.040 -6.137 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.758 0.658 -5.805 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.814 -1.937 -6.332 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.397 -2.270 -7.966 1.00 0.00 H new ATOM 1056 N THR A 71 -1.258 2.368 -6.539 1.00 0.00 N ATOM 1057 CA THR A 71 0.054 1.745 -6.422 1.00 0.00 C ATOM 1058 C THR A 71 1.044 2.674 -5.729 1.00 0.00 C ATOM 1059 O THR A 71 1.054 3.881 -5.974 1.00 0.00 O ATOM 1060 CB THR A 71 0.615 1.353 -7.802 1.00 0.00 C ATOM 1061 OG1 THR A 71 0.188 2.297 -8.791 1.00 0.00 O ATOM 1062 CG2 THR A 71 0.157 -0.043 -8.196 1.00 0.00 C ATOM 0 H THR A 71 -1.268 3.231 -7.082 1.00 0.00 H new ATOM 0 HA THR A 71 -0.076 0.844 -5.822 1.00 0.00 H new ATOM 0 HB THR A 71 1.703 1.358 -7.741 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.550 2.042 -9.665 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.566 -0.298 -9.174 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.508 -0.763 -7.457 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.932 -0.070 -8.240 1.00 0.00 H new ATOM 1070 N LEU A 72 1.876 2.105 -4.864 1.00 0.00 N ATOM 1071 CA LEU A 72 2.871 2.883 -4.135 1.00 0.00 C ATOM 1072 C LEU A 72 4.284 2.458 -4.522 1.00 0.00 C ATOM 1073 O LEU A 72 4.670 1.305 -4.333 1.00 0.00 O ATOM 1074 CB LEU A 72 2.672 2.718 -2.627 1.00 0.00 C ATOM 1075 CG LEU A 72 3.007 3.938 -1.769 1.00 0.00 C ATOM 1076 CD1 LEU A 72 3.405 3.511 -0.365 1.00 0.00 C ATOM 1077 CD2 LEU A 72 4.116 4.756 -2.414 1.00 0.00 C ATOM 0 H LEU A 72 1.881 1.108 -4.650 1.00 0.00 H new ATOM 0 HA LEU A 72 2.741 3.932 -4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.632 2.446 -2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.284 1.882 -2.289 1.00 0.00 H new ATOM 0 HG LEU A 72 2.117 4.563 -1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.640 4.393 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.580 2.969 0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.281 2.864 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.341 5.620 -1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.009 4.140 -2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.793 5.094 -3.399 1.00 0.00 H new ATOM 1089 N ASN A 73 5.052 3.398 -5.064 1.00 0.00 N ATOM 1090 CA ASN A 73 6.423 3.122 -5.476 1.00 0.00 C ATOM 1091 C ASN A 73 7.420 3.771 -4.521 1.00 0.00 C ATOM 1092 O ASN A 73 7.371 4.978 -4.281 1.00 0.00 O ATOM 1093 CB ASN A 73 6.661 3.627 -6.901 1.00 0.00 C ATOM 1094 CG ASN A 73 6.390 2.561 -7.945 1.00 0.00 C ATOM 1095 OD1 ASN A 73 7.269 2.209 -8.732 1.00 0.00 O ATOM 1096 ND2 ASN A 73 5.168 2.041 -7.956 1.00 0.00 N ATOM 0 H ASN A 73 4.748 4.358 -5.228 1.00 0.00 H new ATOM 0 HA ASN A 73 6.573 2.043 -5.450 1.00 0.00 H new ATOM 0 HB2 ASN A 73 6.020 4.488 -7.090 1.00 0.00 H new ATOM 0 HB3 ASN A 73 7.691 3.970 -6.995 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.927 1.320 -8.636 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.471 2.363 -7.285 1.00 0.00 H new ATOM 1103 N LEU A 74 8.324 2.963 -3.979 1.00 0.00 N ATOM 1104 CA LEU A 74 9.334 3.459 -3.050 1.00 0.00 C ATOM 1105 C LEU A 74 10.700 3.542 -3.724 1.00 0.00 C ATOM 1106 O LEU A 74 10.989 2.794 -4.657 1.00 0.00 O ATOM 1107 CB LEU A 74 9.414 2.551 -1.821 1.00 0.00 C ATOM 1108 CG LEU A 74 8.527 2.942 -0.639 1.00 0.00 C ATOM 1109 CD1 LEU A 74 7.163 2.280 -0.753 1.00 0.00 C ATOM 1110 CD2 LEU A 74 9.195 2.568 0.676 1.00 0.00 C ATOM 0 H LEU A 74 8.379 1.962 -4.166 1.00 0.00 H new ATOM 0 HA LEU A 74 9.043 4.461 -2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.153 1.537 -2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.449 2.525 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 74 8.386 4.023 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.546 2.570 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.680 2.598 -1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.284 1.197 -0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.549 2.854 1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.367 1.492 0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.148 3.090 0.761 1.00 0.00 H new ATOM 1122 N SER A 75 11.536 4.457 -3.244 1.00 0.00 N ATOM 1123 CA SER A 75 12.871 4.640 -3.801 1.00 0.00 C ATOM 1124 C SER A 75 13.858 5.065 -2.719 1.00 0.00 C ATOM 1125 O SER A 75 13.461 5.498 -1.638 1.00 0.00 O ATOM 1126 CB SER A 75 12.841 5.685 -4.919 1.00 0.00 C ATOM 1127 OG SER A 75 12.784 6.998 -4.388 1.00 0.00 O ATOM 0 H SER A 75 11.312 5.083 -2.471 1.00 0.00 H new ATOM 0 HA SER A 75 13.200 3.686 -4.213 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.728 5.580 -5.543 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.977 5.511 -5.561 1.00 0.00 H new ATOM 0 HG SER A 75 12.768 7.647 -5.122 1.00 0.00 H new ATOM 1133 N GLN A 76 15.147 4.936 -3.018 1.00 0.00 N ATOM 1134 CA GLN A 76 16.191 5.306 -2.070 1.00 0.00 C ATOM 1135 C GLN A 76 16.184 4.375 -0.862 1.00 0.00 C ATOM 1136 O GLN A 76 16.632 4.746 0.224 1.00 0.00 O ATOM 1137 CB GLN A 76 16.007 6.754 -1.614 1.00 0.00 C ATOM 1138 CG GLN A 76 15.859 7.739 -2.762 1.00 0.00 C ATOM 1139 CD GLN A 76 16.220 9.157 -2.365 1.00 0.00 C ATOM 1140 OE1 GLN A 76 15.445 9.843 -1.698 1.00 0.00 O ATOM 1141 NE2 GLN A 76 17.401 9.605 -2.773 1.00 0.00 N ATOM 0 H GLN A 76 15.493 4.578 -3.908 1.00 0.00 H new ATOM 0 HA GLN A 76 17.153 5.211 -2.573 1.00 0.00 H new ATOM 0 HB2 GLN A 76 15.125 6.816 -0.977 1.00 0.00 H new ATOM 0 HB3 GLN A 76 16.862 7.046 -1.004 1.00 0.00 H new ATOM 0 HG2 GLN A 76 16.495 7.425 -3.590 1.00 0.00 H new ATOM 0 HG3 GLN A 76 14.831 7.718 -3.124 1.00 0.00 H new ATOM 0 HE21 GLN A 76 18.012 9.003 -3.324 1.00 0.00 H new ATOM 0 HE22 GLN A 76 17.697 10.552 -2.535 1.00 0.00 H new ATOM 1150 N LEU A 77 15.673 3.164 -1.057 1.00 0.00 N ATOM 1151 CA LEU A 77 15.607 2.179 0.017 1.00 0.00 C ATOM 1152 C LEU A 77 16.925 1.422 0.142 1.00 0.00 C ATOM 1153 O LEU A 77 17.263 0.600 -0.709 1.00 0.00 O ATOM 1154 CB LEU A 77 14.462 1.197 -0.236 1.00 0.00 C ATOM 1155 CG LEU A 77 13.076 1.814 -0.421 1.00 0.00 C ATOM 1156 CD1 LEU A 77 12.055 0.741 -0.769 1.00 0.00 C ATOM 1157 CD2 LEU A 77 12.655 2.567 0.833 1.00 0.00 C ATOM 0 H LEU A 77 15.298 2.841 -1.949 1.00 0.00 H new ATOM 0 HA LEU A 77 15.423 2.708 0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.700 0.615 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.418 0.499 0.600 1.00 0.00 H new ATOM 0 HG LEU A 77 13.123 2.523 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.074 1.200 -0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.348 0.247 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.010 0.007 0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.666 3.000 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.626 1.879 1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.372 3.362 1.038 1.00 0.00 H new ATOM 1169 N SER A 78 17.663 1.702 1.211 1.00 0.00 N ATOM 1170 CA SER A 78 18.945 1.049 1.448 1.00 0.00 C ATOM 1171 C SER A 78 18.748 -0.300 2.134 1.00 0.00 C ATOM 1172 O SER A 78 18.834 -1.351 1.499 1.00 0.00 O ATOM 1173 CB SER A 78 19.847 1.941 2.302 1.00 0.00 C ATOM 1174 OG SER A 78 20.599 2.830 1.493 1.00 0.00 O ATOM 0 H SER A 78 17.395 2.377 1.927 1.00 0.00 H new ATOM 0 HA SER A 78 19.423 0.881 0.483 1.00 0.00 H new ATOM 0 HB2 SER A 78 19.240 2.510 3.006 1.00 0.00 H new ATOM 0 HB3 SER A 78 20.522 1.322 2.892 1.00 0.00 H new ATOM 0 HG SER A 78 21.166 3.390 2.063 1.00 0.00 H new ATOM 1180 N VAL A 79 18.484 -0.261 3.436 1.00 0.00 N ATOM 1181 CA VAL A 79 18.273 -1.479 4.210 1.00 0.00 C ATOM 1182 C VAL A 79 17.419 -1.206 5.443 1.00 0.00 C ATOM 1183 O VAL A 79 17.774 -0.385 6.288 1.00 0.00 O ATOM 1184 CB VAL A 79 19.611 -2.100 4.654 1.00 0.00 C ATOM 1185 CG1 VAL A 79 19.382 -3.461 5.293 1.00 0.00 C ATOM 1186 CG2 VAL A 79 20.565 -2.209 3.473 1.00 0.00 C ATOM 0 H VAL A 79 18.411 0.601 3.977 1.00 0.00 H new ATOM 0 HA VAL A 79 17.752 -2.181 3.559 1.00 0.00 H new ATOM 0 HB VAL A 79 20.065 -1.448 5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 79 20.338 -3.884 5.600 1.00 0.00 H new ATOM 0 HG12 VAL A 79 18.737 -3.350 6.165 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.906 -4.126 4.572 1.00 0.00 H new ATOM 0 HG21 VAL A 79 21.505 -2.650 3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 79 20.120 -2.839 2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 79 20.754 -1.216 3.065 1.00 0.00 H new ATOM 1196 N GLY A 80 16.289 -1.900 5.539 1.00 0.00 N ATOM 1197 CA GLY A 80 15.401 -1.719 6.672 1.00 0.00 C ATOM 1198 C GLY A 80 13.980 -2.151 6.370 1.00 0.00 C ATOM 1199 O GLY A 80 13.599 -2.290 5.207 1.00 0.00 O ATOM 0 H GLY A 80 15.973 -2.584 4.852 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.778 -2.290 7.520 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.403 -0.670 6.968 1.00 0.00 H new ATOM 1203 N LEU A 81 13.193 -2.365 7.419 1.00 0.00 N ATOM 1204 CA LEU A 81 11.805 -2.785 7.260 1.00 0.00 C ATOM 1205 C LEU A 81 10.882 -1.578 7.130 1.00 0.00 C ATOM 1206 O LEU A 81 11.096 -0.548 7.769 1.00 0.00 O ATOM 1207 CB LEU A 81 11.373 -3.646 8.449 1.00 0.00 C ATOM 1208 CG LEU A 81 9.868 -3.727 8.708 1.00 0.00 C ATOM 1209 CD1 LEU A 81 9.143 -4.251 7.478 1.00 0.00 C ATOM 1210 CD2 LEU A 81 9.581 -4.608 9.915 1.00 0.00 C ATOM 0 H LEU A 81 13.492 -2.255 8.388 1.00 0.00 H new ATOM 0 HA LEU A 81 11.732 -3.375 6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 81 11.750 -4.657 8.295 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.855 -3.259 9.346 1.00 0.00 H new ATOM 0 HG LEU A 81 9.500 -2.723 8.921 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.073 -4.302 7.680 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.322 -3.581 6.637 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.514 -5.246 7.234 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.505 -4.654 10.084 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.963 -5.612 9.731 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.069 -4.190 10.795 1.00 0.00 H new ATOM 1222 N TYR A 82 9.853 -1.713 6.301 1.00 0.00 N ATOM 1223 CA TYR A 82 8.896 -0.634 6.087 1.00 0.00 C ATOM 1224 C TYR A 82 7.480 -1.182 5.940 1.00 0.00 C ATOM 1225 O TYR A 82 7.173 -1.893 4.983 1.00 0.00 O ATOM 1226 CB TYR A 82 9.275 0.173 4.844 1.00 0.00 C ATOM 1227 CG TYR A 82 10.742 0.532 4.779 1.00 0.00 C ATOM 1228 CD1 TYR A 82 11.235 1.646 5.448 1.00 0.00 C ATOM 1229 CD2 TYR A 82 11.636 -0.242 4.050 1.00 0.00 C ATOM 1230 CE1 TYR A 82 12.574 1.979 5.391 1.00 0.00 C ATOM 1231 CE2 TYR A 82 12.977 0.082 3.988 1.00 0.00 C ATOM 1232 CZ TYR A 82 13.442 1.194 4.660 1.00 0.00 C ATOM 1233 OH TYR A 82 14.777 1.521 4.602 1.00 0.00 O ATOM 0 H TYR A 82 9.660 -2.560 5.766 1.00 0.00 H new ATOM 0 HA TYR A 82 8.924 0.020 6.959 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.010 -0.399 3.955 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.684 1.089 4.822 1.00 0.00 H new ATOM 0 HD1 TYR A 82 10.559 2.262 6.023 1.00 0.00 H new ATOM 0 HD2 TYR A 82 11.276 -1.113 3.522 1.00 0.00 H new ATOM 0 HE1 TYR A 82 12.940 2.849 5.916 1.00 0.00 H new ATOM 0 HE2 TYR A 82 13.658 -0.531 3.417 1.00 0.00 H new ATOM 0 HH TYR A 82 14.873 2.494 4.531 1.00 0.00 H new ATOM 1243 N VAL A 83 6.620 -0.844 6.895 1.00 0.00 N ATOM 1244 CA VAL A 83 5.235 -1.299 6.873 1.00 0.00 C ATOM 1245 C VAL A 83 4.305 -0.207 6.355 1.00 0.00 C ATOM 1246 O VAL A 83 4.006 0.755 7.062 1.00 0.00 O ATOM 1247 CB VAL A 83 4.765 -1.737 8.273 1.00 0.00 C ATOM 1248 CG1 VAL A 83 3.321 -2.211 8.228 1.00 0.00 C ATOM 1249 CG2 VAL A 83 5.675 -2.824 8.825 1.00 0.00 C ATOM 0 H VAL A 83 6.858 -0.256 7.694 1.00 0.00 H new ATOM 0 HA VAL A 83 5.195 -2.156 6.200 1.00 0.00 H new ATOM 0 HB VAL A 83 4.819 -0.877 8.940 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.007 -2.516 9.226 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.682 -1.400 7.879 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.237 -3.058 7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.328 -3.121 9.815 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.656 -3.687 8.159 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.694 -2.444 8.897 1.00 0.00 H new ATOM 1259 N PHE A 84 3.851 -0.364 5.116 1.00 0.00 N ATOM 1260 CA PHE A 84 2.955 0.610 4.502 1.00 0.00 C ATOM 1261 C PHE A 84 1.498 0.190 4.672 1.00 0.00 C ATOM 1262 O PHE A 84 1.114 -0.923 4.312 1.00 0.00 O ATOM 1263 CB PHE A 84 3.282 0.768 3.016 1.00 0.00 C ATOM 1264 CG PHE A 84 4.745 0.633 2.706 1.00 0.00 C ATOM 1265 CD1 PHE A 84 5.656 1.564 3.179 1.00 0.00 C ATOM 1266 CD2 PHE A 84 5.210 -0.424 1.941 1.00 0.00 C ATOM 1267 CE1 PHE A 84 7.003 1.443 2.895 1.00 0.00 C ATOM 1268 CE2 PHE A 84 6.556 -0.551 1.654 1.00 0.00 C ATOM 1269 CZ PHE A 84 7.454 0.383 2.132 1.00 0.00 C ATOM 0 H PHE A 84 4.088 -1.155 4.518 1.00 0.00 H new ATOM 0 HA PHE A 84 3.100 1.567 5.003 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.728 0.020 2.449 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.936 1.745 2.678 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.309 2.394 3.777 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.513 -1.158 1.564 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.702 2.176 3.269 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.905 -1.380 1.056 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.506 0.285 1.910 1.00 0.00 H new ATOM 1279 N LYS A 85 0.690 1.090 5.224 1.00 0.00 N ATOM 1280 CA LYS A 85 -0.725 0.816 5.442 1.00 0.00 C ATOM 1281 C LYS A 85 -1.594 1.705 4.558 1.00 0.00 C ATOM 1282 O LYS A 85 -1.710 2.908 4.793 1.00 0.00 O ATOM 1283 CB LYS A 85 -1.086 1.033 6.913 1.00 0.00 C ATOM 1284 CG LYS A 85 -2.536 0.715 7.237 1.00 0.00 C ATOM 1285 CD LYS A 85 -2.960 1.331 8.560 1.00 0.00 C ATOM 1286 CE LYS A 85 -2.937 2.851 8.500 1.00 0.00 C ATOM 1287 NZ LYS A 85 -1.615 3.402 8.908 1.00 0.00 N ATOM 0 H LYS A 85 0.992 2.016 5.528 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.913 -0.224 5.177 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.439 0.412 7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.882 2.070 7.179 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.178 1.087 6.439 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.672 -0.366 7.278 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.964 0.991 8.816 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.295 0.987 9.352 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -3.170 3.178 7.487 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.714 3.252 9.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.758 4.244 9.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.091 2.684 9.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.071 3.664 8.061 1.00 0.00 H new ATOM 1301 N VAL A 86 -2.204 1.105 3.541 1.00 0.00 N ATOM 1302 CA VAL A 86 -3.064 1.842 2.623 1.00 0.00 C ATOM 1303 C VAL A 86 -4.493 1.915 3.149 1.00 0.00 C ATOM 1304 O VAL A 86 -5.200 0.907 3.202 1.00 0.00 O ATOM 1305 CB VAL A 86 -3.075 1.198 1.224 1.00 0.00 C ATOM 1306 CG1 VAL A 86 -3.452 -0.273 1.317 1.00 0.00 C ATOM 1307 CG2 VAL A 86 -4.029 1.943 0.302 1.00 0.00 C ATOM 0 H VAL A 86 -2.119 0.110 3.332 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.656 2.850 2.547 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.072 1.266 0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.455 -0.712 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.727 -0.796 1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.445 -0.367 1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.024 1.474 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.037 1.908 0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.710 2.981 0.211 1.00 0.00 H new ATOM 1317 N THR A 87 -4.915 3.114 3.537 1.00 0.00 N ATOM 1318 CA THR A 87 -6.260 3.319 4.059 1.00 0.00 C ATOM 1319 C THR A 87 -7.212 3.782 2.962 1.00 0.00 C ATOM 1320 O THR A 87 -7.145 4.925 2.510 1.00 0.00 O ATOM 1321 CB THR A 87 -6.268 4.354 5.200 1.00 0.00 C ATOM 1322 OG1 THR A 87 -5.171 4.113 6.088 1.00 0.00 O ATOM 1323 CG2 THR A 87 -7.576 4.296 5.975 1.00 0.00 C ATOM 0 H THR A 87 -4.344 3.958 3.500 1.00 0.00 H new ATOM 0 HA THR A 87 -6.598 2.358 4.447 1.00 0.00 H new ATOM 0 HB THR A 87 -6.168 5.346 4.761 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.182 4.776 6.809 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.558 5.036 6.775 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.407 4.509 5.303 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.701 3.301 6.403 1.00 0.00 H new ATOM 1331 N VAL A 88 -8.098 2.887 2.537 1.00 0.00 N ATOM 1332 CA VAL A 88 -9.065 3.205 1.493 1.00 0.00 C ATOM 1333 C VAL A 88 -10.488 3.193 2.040 1.00 0.00 C ATOM 1334 O VAL A 88 -10.941 2.193 2.598 1.00 0.00 O ATOM 1335 CB VAL A 88 -8.970 2.213 0.319 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -10.105 2.441 -0.667 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -7.620 2.334 -0.372 1.00 0.00 C ATOM 0 H VAL A 88 -8.166 1.936 2.900 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.825 4.206 1.134 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.062 1.201 0.713 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.021 1.731 -1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -11.060 2.299 -0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.049 3.457 -1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.570 1.626 -1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.496 3.347 -0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.825 2.116 0.341 1.00 0.00 H new ATOM 1347 N SER A 89 -11.189 4.310 1.876 1.00 0.00 N ATOM 1348 CA SER A 89 -12.561 4.429 2.356 1.00 0.00 C ATOM 1349 C SER A 89 -13.381 5.330 1.438 1.00 0.00 C ATOM 1350 O SER A 89 -12.852 6.256 0.824 1.00 0.00 O ATOM 1351 CB SER A 89 -12.578 4.984 3.782 1.00 0.00 C ATOM 1352 OG SER A 89 -11.944 6.250 3.844 1.00 0.00 O ATOM 0 H SER A 89 -10.830 5.146 1.414 1.00 0.00 H new ATOM 0 HA SER A 89 -13.008 3.435 2.355 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.607 5.072 4.129 1.00 0.00 H new ATOM 0 HB3 SER A 89 -12.074 4.288 4.453 1.00 0.00 H new ATOM 0 HG SER A 89 -11.969 6.584 4.765 1.00 0.00 H new ATOM 1358 N SER A 90 -14.678 5.050 1.350 1.00 0.00 N ATOM 1359 CA SER A 90 -15.572 5.832 0.504 1.00 0.00 C ATOM 1360 C SER A 90 -16.612 6.566 1.345 1.00 0.00 C ATOM 1361 O SER A 90 -16.599 6.488 2.573 1.00 0.00 O ATOM 1362 CB SER A 90 -16.270 4.925 -0.512 1.00 0.00 C ATOM 1363 OG SER A 90 -16.682 5.658 -1.652 1.00 0.00 O ATOM 0 H SER A 90 -15.132 4.288 1.854 1.00 0.00 H new ATOM 0 HA SER A 90 -14.974 6.571 -0.029 1.00 0.00 H new ATOM 0 HB2 SER A 90 -15.594 4.125 -0.815 1.00 0.00 H new ATOM 0 HB3 SER A 90 -17.135 4.452 -0.048 1.00 0.00 H new ATOM 0 HG SER A 90 -17.124 5.055 -2.286 1.00 0.00 H new ATOM 1369 N GLU A 91 -17.511 7.280 0.674 1.00 0.00 N ATOM 1370 CA GLU A 91 -18.557 8.029 1.359 1.00 0.00 C ATOM 1371 C GLU A 91 -19.344 7.125 2.303 1.00 0.00 C ATOM 1372 O GLU A 91 -19.685 7.519 3.417 1.00 0.00 O ATOM 1373 CB GLU A 91 -19.503 8.673 0.344 1.00 0.00 C ATOM 1374 CG GLU A 91 -19.968 7.719 -0.745 1.00 0.00 C ATOM 1375 CD GLU A 91 -20.894 8.383 -1.745 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -21.724 9.216 -1.324 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -20.789 8.069 -2.949 1.00 0.00 O ATOM 0 H GLU A 91 -17.535 7.355 -0.343 1.00 0.00 H new ATOM 0 HA GLU A 91 -18.081 8.813 1.948 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.374 9.064 0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.002 9.523 -0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -19.099 7.320 -1.269 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -20.480 6.873 -0.287 1.00 0.00 H new ATOM 1384 N ASN A 92 -19.631 5.909 1.847 1.00 0.00 N ATOM 1385 CA ASN A 92 -20.379 4.949 2.649 1.00 0.00 C ATOM 1386 C ASN A 92 -19.620 3.631 2.768 1.00 0.00 C ATOM 1387 O ASN A 92 -20.216 2.555 2.750 1.00 0.00 O ATOM 1388 CB ASN A 92 -21.757 4.702 2.032 1.00 0.00 C ATOM 1389 CG ASN A 92 -22.637 5.936 2.069 1.00 0.00 C ATOM 1390 OD1 ASN A 92 -22.648 6.733 1.130 1.00 0.00 O ATOM 1391 ND2 ASN A 92 -23.380 6.101 3.157 1.00 0.00 N ATOM 0 H ASN A 92 -19.356 5.566 0.926 1.00 0.00 H new ATOM 0 HA ASN A 92 -20.504 5.367 3.648 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -21.636 4.376 0.999 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -22.251 3.891 2.566 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -23.991 6.913 3.239 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -23.339 5.415 3.911 1.00 0.00 H new ATOM 1398 N ALA A 93 -18.299 3.724 2.891 1.00 0.00 N ATOM 1399 CA ALA A 93 -17.458 2.540 3.016 1.00 0.00 C ATOM 1400 C ALA A 93 -16.096 2.894 3.603 1.00 0.00 C ATOM 1401 O ALA A 93 -15.666 4.047 3.549 1.00 0.00 O ATOM 1402 CB ALA A 93 -17.293 1.865 1.663 1.00 0.00 C ATOM 0 H ALA A 93 -17.789 4.607 2.907 1.00 0.00 H new ATOM 0 HA ALA A 93 -17.949 1.846 3.698 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.663 0.982 1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -18.271 1.568 1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.827 2.560 0.964 1.00 0.00 H new ATOM 1408 N PHE A 94 -15.421 1.896 4.164 1.00 0.00 N ATOM 1409 CA PHE A 94 -14.108 2.103 4.763 1.00 0.00 C ATOM 1410 C PHE A 94 -13.299 0.809 4.759 1.00 0.00 C ATOM 1411 O PHE A 94 -13.835 -0.272 4.997 1.00 0.00 O ATOM 1412 CB PHE A 94 -14.253 2.623 6.195 1.00 0.00 C ATOM 1413 CG PHE A 94 -12.947 3.015 6.825 1.00 0.00 C ATOM 1414 CD1 PHE A 94 -12.121 2.057 7.392 1.00 0.00 C ATOM 1415 CD2 PHE A 94 -12.545 4.341 6.850 1.00 0.00 C ATOM 1416 CE1 PHE A 94 -10.920 2.415 7.973 1.00 0.00 C ATOM 1417 CE2 PHE A 94 -11.344 4.705 7.430 1.00 0.00 C ATOM 1418 CZ PHE A 94 -10.530 3.740 7.991 1.00 0.00 C ATOM 0 H PHE A 94 -15.762 0.936 4.216 1.00 0.00 H new ATOM 0 HA PHE A 94 -13.577 2.845 4.167 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -14.920 3.485 6.194 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -14.726 1.854 6.806 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.420 1.019 7.379 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -13.177 5.099 6.411 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -10.286 1.659 8.413 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.043 5.742 7.445 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.590 4.021 8.443 1.00 0.00 H new ATOM 1428 N GLY A 95 -12.003 0.930 4.487 1.00 0.00 N ATOM 1429 CA GLY A 95 -11.140 -0.237 4.456 1.00 0.00 C ATOM 1430 C GLY A 95 -9.670 0.130 4.425 1.00 0.00 C ATOM 1431 O GLY A 95 -9.314 1.267 4.116 1.00 0.00 O ATOM 0 H GLY A 95 -11.536 1.814 4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.339 -0.855 5.331 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.380 -0.839 3.580 1.00 0.00 H new ATOM 1435 N GLU A 96 -8.814 -0.834 4.749 1.00 0.00 N ATOM 1436 CA GLU A 96 -7.374 -0.604 4.759 1.00 0.00 C ATOM 1437 C GLU A 96 -6.612 -1.926 4.797 1.00 0.00 C ATOM 1438 O GLU A 96 -7.152 -2.955 5.203 1.00 0.00 O ATOM 1439 CB GLU A 96 -6.981 0.257 5.961 1.00 0.00 C ATOM 1440 CG GLU A 96 -7.399 -0.334 7.297 1.00 0.00 C ATOM 1441 CD GLU A 96 -6.430 -1.387 7.797 1.00 0.00 C ATOM 1442 OE1 GLU A 96 -5.284 -1.423 7.302 1.00 0.00 O ATOM 1443 OE2 GLU A 96 -6.818 -2.176 8.685 1.00 0.00 O ATOM 0 H GLU A 96 -9.092 -1.781 5.008 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.110 -0.078 3.842 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.900 0.398 5.958 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.431 1.244 5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.475 0.464 8.035 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.391 -0.775 7.201 1.00 0.00 H new ATOM 1450 N GLY A 97 -5.354 -1.890 4.369 1.00 0.00 N ATOM 1451 CA GLY A 97 -4.538 -3.090 4.361 1.00 0.00 C ATOM 1452 C GLY A 97 -3.196 -2.884 5.035 1.00 0.00 C ATOM 1453 O GLY A 97 -2.934 -1.822 5.601 1.00 0.00 O ATOM 0 H GLY A 97 -4.885 -1.051 4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.075 -3.894 4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.378 -3.410 3.331 1.00 0.00 H new ATOM 1457 N PHE A 98 -2.344 -3.902 4.977 1.00 0.00 N ATOM 1458 CA PHE A 98 -1.022 -3.829 5.590 1.00 0.00 C ATOM 1459 C PHE A 98 -0.014 -4.667 4.809 1.00 0.00 C ATOM 1460 O PHE A 98 -0.227 -5.857 4.577 1.00 0.00 O ATOM 1461 CB PHE A 98 -1.083 -4.305 7.042 1.00 0.00 C ATOM 1462 CG PHE A 98 -1.666 -3.289 7.982 1.00 0.00 C ATOM 1463 CD1 PHE A 98 -3.031 -3.246 8.217 1.00 0.00 C ATOM 1464 CD2 PHE A 98 -0.850 -2.377 8.632 1.00 0.00 C ATOM 1465 CE1 PHE A 98 -3.571 -2.312 9.080 1.00 0.00 C ATOM 1466 CE2 PHE A 98 -1.384 -1.441 9.497 1.00 0.00 C ATOM 1467 CZ PHE A 98 -2.746 -1.409 9.722 1.00 0.00 C ATOM 0 H PHE A 98 -2.545 -4.787 4.512 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.696 -2.789 5.570 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.677 -5.218 7.092 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.077 -4.561 7.375 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.680 -3.951 7.720 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.216 -2.398 8.461 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.637 -2.288 9.252 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.737 -0.735 9.997 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.166 -0.679 10.399 1.00 0.00 H new ATOM 1477 N VAL A 99 1.085 -4.037 4.407 1.00 0.00 N ATOM 1478 CA VAL A 99 2.127 -4.724 3.653 1.00 0.00 C ATOM 1479 C VAL A 99 3.514 -4.303 4.124 1.00 0.00 C ATOM 1480 O VAL A 99 3.893 -3.138 4.007 1.00 0.00 O ATOM 1481 CB VAL A 99 2.003 -4.446 2.143 1.00 0.00 C ATOM 1482 CG1 VAL A 99 2.392 -3.009 1.831 1.00 0.00 C ATOM 1483 CG2 VAL A 99 2.859 -5.423 1.350 1.00 0.00 C ATOM 0 H VAL A 99 1.277 -3.052 4.591 1.00 0.00 H new ATOM 0 HA VAL A 99 1.995 -5.791 3.830 1.00 0.00 H new ATOM 0 HB VAL A 99 0.963 -4.588 1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.298 -2.831 0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.734 -2.328 2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.423 -2.836 2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.760 -5.212 0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.903 -5.315 1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.529 -6.442 1.551 1.00 0.00 H new ATOM 1493 N ASN A 100 4.268 -5.259 4.657 1.00 0.00 N ATOM 1494 CA ASN A 100 5.615 -4.987 5.147 1.00 0.00 C ATOM 1495 C ASN A 100 6.660 -5.363 4.101 1.00 0.00 C ATOM 1496 O ASN A 100 6.586 -6.428 3.488 1.00 0.00 O ATOM 1497 CB ASN A 100 5.874 -5.758 6.443 1.00 0.00 C ATOM 1498 CG ASN A 100 4.645 -5.829 7.328 1.00 0.00 C ATOM 1499 OD1 ASN A 100 3.633 -5.181 7.059 1.00 0.00 O ATOM 1500 ND2 ASN A 100 4.727 -6.621 8.392 1.00 0.00 N ATOM 0 H ASN A 100 3.969 -6.229 4.761 1.00 0.00 H new ATOM 0 HA ASN A 100 5.694 -3.918 5.346 1.00 0.00 H new ATOM 0 HB2 ASN A 100 6.204 -6.769 6.202 1.00 0.00 H new ATOM 0 HB3 ASN A 100 6.686 -5.280 6.991 1.00 0.00 H new ATOM 0 HD21 ASN A 100 3.931 -6.710 9.024 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.586 -7.140 8.577 1.00 0.00 H new ATOM 1507 N VAL A 101 7.634 -4.481 3.902 1.00 0.00 N ATOM 1508 CA VAL A 101 8.696 -4.720 2.932 1.00 0.00 C ATOM 1509 C VAL A 101 10.065 -4.715 3.603 1.00 0.00 C ATOM 1510 O VAL A 101 10.386 -3.813 4.377 1.00 0.00 O ATOM 1511 CB VAL A 101 8.681 -3.663 1.811 1.00 0.00 C ATOM 1512 CG1 VAL A 101 9.899 -3.821 0.913 1.00 0.00 C ATOM 1513 CG2 VAL A 101 7.396 -3.761 1.004 1.00 0.00 C ATOM 0 H VAL A 101 7.710 -3.594 4.400 1.00 0.00 H new ATOM 0 HA VAL A 101 8.512 -5.702 2.497 1.00 0.00 H new ATOM 0 HB VAL A 101 8.721 -2.674 2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 101 9.872 -3.066 0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.806 -3.696 1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 101 9.893 -4.814 0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.402 -3.007 0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.322 -4.752 0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.541 -3.594 1.659 1.00 0.00 H new ATOM 1523 N THR A 102 10.870 -5.729 3.300 1.00 0.00 N ATOM 1524 CA THR A 102 12.205 -5.842 3.874 1.00 0.00 C ATOM 1525 C THR A 102 13.278 -5.718 2.799 1.00 0.00 C ATOM 1526 O THR A 102 13.196 -6.356 1.749 1.00 0.00 O ATOM 1527 CB THR A 102 12.387 -7.181 4.613 1.00 0.00 C ATOM 1528 OG1 THR A 102 11.431 -7.290 5.673 1.00 0.00 O ATOM 1529 CG2 THR A 102 13.794 -7.301 5.179 1.00 0.00 C ATOM 0 H THR A 102 10.620 -6.483 2.660 1.00 0.00 H new ATOM 0 HA THR A 102 12.313 -5.024 4.587 1.00 0.00 H new ATOM 0 HB THR A 102 12.230 -7.988 3.898 1.00 0.00 H new ATOM 0 HG1 THR A 102 11.553 -8.145 6.137 1.00 0.00 H new ATOM 0 HG21 THR A 102 13.898 -8.255 5.696 1.00 0.00 H new ATOM 0 HG22 THR A 102 14.519 -7.248 4.367 1.00 0.00 H new ATOM 0 HG23 THR A 102 13.975 -6.486 5.880 1.00 0.00 H new ATOM 1537 N VAL A 103 14.286 -4.894 3.067 1.00 0.00 N ATOM 1538 CA VAL A 103 15.378 -4.688 2.122 1.00 0.00 C ATOM 1539 C VAL A 103 16.670 -5.316 2.631 1.00 0.00 C ATOM 1540 O VAL A 103 17.158 -4.973 3.708 1.00 0.00 O ATOM 1541 CB VAL A 103 15.616 -3.190 1.858 1.00 0.00 C ATOM 1542 CG1 VAL A 103 16.691 -2.998 0.799 1.00 0.00 C ATOM 1543 CG2 VAL A 103 14.320 -2.509 1.444 1.00 0.00 C ATOM 0 H VAL A 103 14.369 -4.358 3.931 1.00 0.00 H new ATOM 0 HA VAL A 103 15.086 -5.171 1.189 1.00 0.00 H new ATOM 0 HB VAL A 103 15.963 -2.727 2.782 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.845 -1.933 0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.623 -3.449 1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.376 -3.475 -0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.507 -1.451 1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 103 13.940 -2.973 0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 103 13.583 -2.615 2.240 1.00 0.00 H new ATOM 1553 N LYS A 104 17.222 -6.237 1.849 1.00 0.00 N ATOM 1554 CA LYS A 104 18.460 -6.913 2.218 1.00 0.00 C ATOM 1555 C LYS A 104 19.669 -6.194 1.628 1.00 0.00 C ATOM 1556 O LYS A 104 19.599 -5.583 0.561 1.00 0.00 O ATOM 1557 CB LYS A 104 18.435 -8.366 1.739 1.00 0.00 C ATOM 1558 CG LYS A 104 17.216 -9.141 2.212 1.00 0.00 C ATOM 1559 CD LYS A 104 17.398 -9.654 3.630 1.00 0.00 C ATOM 1560 CE LYS A 104 16.263 -10.582 4.037 1.00 0.00 C ATOM 1561 NZ LYS A 104 16.155 -10.711 5.516 1.00 0.00 N ATOM 0 H LYS A 104 16.831 -6.533 0.955 1.00 0.00 H new ATOM 0 HA LYS A 104 18.543 -6.896 3.305 1.00 0.00 H new ATOM 0 HB2 LYS A 104 18.465 -8.381 0.650 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.335 -8.871 2.090 1.00 0.00 H new ATOM 0 HG2 LYS A 104 16.336 -8.500 2.166 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.034 -9.980 1.541 1.00 0.00 H new ATOM 0 HD2 LYS A 104 18.348 -10.183 3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.446 -8.811 4.320 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.323 -10.203 3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 104 16.424 -11.566 3.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.370 -11.351 5.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.043 -11.096 5.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.976 -9.776 5.934 1.00 0.00 H new ATOM 1575 N PRO A 105 20.806 -6.267 2.335 1.00 0.00 N ATOM 1576 CA PRO A 105 22.053 -5.631 1.899 1.00 0.00 C ATOM 1577 C PRO A 105 22.655 -6.313 0.676 1.00 0.00 C ATOM 1578 O PRO A 105 22.415 -7.495 0.432 1.00 0.00 O ATOM 1579 CB PRO A 105 22.976 -5.792 3.110 1.00 0.00 C ATOM 1580 CG PRO A 105 22.451 -6.986 3.830 1.00 0.00 C ATOM 1581 CD PRO A 105 20.963 -6.978 3.616 1.00 0.00 C ATOM 0 HA PRO A 105 21.898 -4.595 1.599 1.00 0.00 H new ATOM 0 HB2 PRO A 105 24.011 -5.939 2.802 1.00 0.00 H new ATOM 0 HB3 PRO A 105 22.955 -4.906 3.745 1.00 0.00 H new ATOM 0 HG2 PRO A 105 22.896 -7.902 3.442 1.00 0.00 H new ATOM 0 HG3 PRO A 105 22.693 -6.939 4.892 1.00 0.00 H new ATOM 0 HD2 PRO A 105 20.559 -7.989 3.567 1.00 0.00 H new ATOM 0 HD3 PRO A 105 20.443 -6.466 4.426 1.00 0.00 H new ATOM 1589 N ALA A 106 23.438 -5.560 -0.090 1.00 0.00 N ATOM 1590 CA ALA A 106 24.077 -6.094 -1.287 1.00 0.00 C ATOM 1591 C ALA A 106 25.064 -7.202 -0.934 1.00 0.00 C ATOM 1592 O ALA A 106 26.164 -6.935 -0.450 1.00 0.00 O ATOM 1593 CB ALA A 106 24.779 -4.981 -2.051 1.00 0.00 C ATOM 0 H ALA A 106 23.645 -4.579 0.097 1.00 0.00 H new ATOM 0 HA ALA A 106 23.303 -6.523 -1.923 1.00 0.00 H new ATOM 0 HB1 ALA A 106 25.252 -5.394 -2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 106 24.050 -4.225 -2.344 1.00 0.00 H new ATOM 0 HB3 ALA A 106 25.538 -4.526 -1.415 1.00 0.00 H new