USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 552 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 81 ASN : amide:sc= -0.0485 X(o=-5.5,f=-5.6) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -4.56! C(o=-5.5!,f=-5.8!) USER MOD Set 1.3: A 92 SER OG : rot -120:sc= -0.898 USER MOD Set 2.1: A 52 SER OG : rot -22:sc= 0.864 USER MOD Set 2.2: A 78 TYR OH : rot 18:sc= 1.95 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -0.0262 X(o=-0.026,f=-0.39) USER MOD Single : A 22 LYS NZ :NH3+ -166:sc= -0.0251 (180deg=-0.209) USER MOD Single : A 26 THR OG1 : rot 26:sc= 0.175 USER MOD Single : A 27 ASN : amide:sc= -3.32! K(o=-3.3!,f=-0.25) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.77! K(o=-2.8!,f=-3.3) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.283 USER MOD Single : A 54 SER OG : rot 180:sc= -0.133 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.59 X(o=-0.59,f=-0.81) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 150:sc= -0.0403 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 147:sc= -0.066 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 101 N PRO A 11 -0.169 15.566 2.161 1.00 0.00 N ATOM 102 CA PRO A 11 -0.531 14.146 2.199 1.00 0.00 C ATOM 103 C PRO A 11 -1.839 13.861 1.468 1.00 0.00 C ATOM 104 O PRO A 11 -2.258 12.710 1.352 1.00 0.00 O ATOM 105 CB PRO A 11 -0.682 13.858 3.695 1.00 0.00 C ATOM 106 CG PRO A 11 -1.017 15.177 4.303 1.00 0.00 C ATOM 107 CD PRO A 11 -0.293 16.207 3.481 1.00 0.00 C ATOM 0 HA PRO A 11 0.213 13.523 1.704 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.468 13.126 3.880 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.238 13.451 4.115 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.093 15.352 4.288 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.702 15.218 5.346 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.853 17.141 3.423 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.682 16.446 3.905 1.00 0.00 H new ATOM 115 N SER A 12 -2.478 14.917 0.975 1.00 0.00 N ATOM 116 CA SER A 12 -3.740 14.781 0.257 1.00 0.00 C ATOM 117 C SER A 12 -3.497 14.600 -1.238 1.00 0.00 C ATOM 118 O SER A 12 -4.292 13.969 -1.935 1.00 0.00 O ATOM 119 CB SER A 12 -4.623 16.007 0.497 1.00 0.00 C ATOM 120 OG SER A 12 -4.724 16.300 1.880 1.00 0.00 O ATOM 0 H SER A 12 -2.142 15.877 1.060 1.00 0.00 H new ATOM 0 HA SER A 12 -4.251 13.895 0.635 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.209 16.866 -0.031 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.617 15.829 0.086 1.00 0.00 H new ATOM 0 HG SER A 12 -5.292 17.088 2.007 1.00 0.00 H new ATOM 126 N ARG A 13 -2.393 15.157 -1.724 1.00 0.00 N ATOM 127 CA ARG A 13 -2.045 15.059 -3.136 1.00 0.00 C ATOM 128 C ARG A 13 -1.598 13.643 -3.489 1.00 0.00 C ATOM 129 O ARG A 13 -1.509 13.283 -4.663 1.00 0.00 O ATOM 130 CB ARG A 13 -0.937 16.056 -3.481 1.00 0.00 C ATOM 131 CG ARG A 13 -1.245 17.481 -3.052 1.00 0.00 C ATOM 132 CD ARG A 13 -1.829 18.294 -4.197 1.00 0.00 C ATOM 133 NE ARG A 13 -2.671 17.481 -5.071 1.00 0.00 N ATOM 134 CZ ARG A 13 -3.612 17.985 -5.861 1.00 0.00 C ATOM 135 NH1 ARG A 13 -3.830 19.292 -5.887 1.00 0.00 N ATOM 136 NH2 ARG A 13 -4.337 17.181 -6.628 1.00 0.00 N ATOM 0 H ARG A 13 -1.724 15.681 -1.160 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.934 15.297 -3.720 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.010 15.735 -3.006 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.766 16.038 -4.557 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.948 17.467 -2.219 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.334 17.959 -2.693 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.416 19.119 -3.793 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.019 18.733 -4.780 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.528 16.471 -5.075 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.274 19.914 -5.299 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.553 19.676 -6.495 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.172 16.175 -6.611 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.059 17.569 -7.234 1.00 0.00 H new ATOM 150 N VAL A 14 -1.317 12.844 -2.464 1.00 0.00 N ATOM 151 CA VAL A 14 -0.880 11.468 -2.666 1.00 0.00 C ATOM 152 C VAL A 14 -2.004 10.613 -3.239 1.00 0.00 C ATOM 153 O VAL A 14 -3.174 10.810 -2.914 1.00 0.00 O ATOM 154 CB VAL A 14 -0.390 10.837 -1.349 1.00 0.00 C ATOM 155 CG1 VAL A 14 0.279 9.497 -1.616 1.00 0.00 C ATOM 156 CG2 VAL A 14 0.559 11.781 -0.626 1.00 0.00 C ATOM 0 H VAL A 14 -1.384 13.126 -1.486 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.053 11.499 -3.376 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.253 10.664 -0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.619 9.066 -0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.435 8.822 -2.088 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.133 9.642 -2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.895 11.319 0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.420 11.988 -1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.042 12.714 -0.400 1.00 0.00 H new ATOM 166 N GLN A 15 -1.640 9.662 -4.094 1.00 0.00 N ATOM 167 CA GLN A 15 -2.618 8.776 -4.713 1.00 0.00 C ATOM 168 C GLN A 15 -2.136 7.330 -4.688 1.00 0.00 C ATOM 169 O GLN A 15 -0.986 7.043 -5.020 1.00 0.00 O ATOM 170 CB GLN A 15 -2.891 9.211 -6.154 1.00 0.00 C ATOM 171 CG GLN A 15 -3.074 10.712 -6.312 1.00 0.00 C ATOM 172 CD GLN A 15 -2.801 11.187 -7.726 1.00 0.00 C ATOM 173 OE1 GLN A 15 -1.928 12.025 -7.953 1.00 0.00 O ATOM 174 NE2 GLN A 15 -3.547 10.652 -8.685 1.00 0.00 N ATOM 0 H GLN A 15 -0.675 9.486 -4.373 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.543 8.840 -4.140 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.064 8.886 -6.786 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.786 8.704 -6.514 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.092 10.982 -6.032 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.407 11.230 -5.623 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.259 9.960 -8.451 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.408 10.932 -9.656 1.00 0.00 H new ATOM 183 N ALA A 16 -3.022 6.422 -4.292 1.00 0.00 N ATOM 184 CA ALA A 16 -2.687 5.005 -4.226 1.00 0.00 C ATOM 185 C ALA A 16 -3.696 4.165 -5.001 1.00 0.00 C ATOM 186 O ALA A 16 -4.903 4.268 -4.779 1.00 0.00 O ATOM 187 CB ALA A 16 -2.617 4.547 -2.777 1.00 0.00 C ATOM 0 H ALA A 16 -3.978 6.643 -4.012 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.709 4.866 -4.687 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.366 3.487 -2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.852 5.118 -2.251 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.583 4.707 -2.298 1.00 0.00 H new ATOM 193 N GLN A 17 -3.195 3.336 -5.910 1.00 0.00 N ATOM 194 CA GLN A 17 -4.055 2.479 -6.719 1.00 0.00 C ATOM 195 C GLN A 17 -3.304 1.234 -7.180 1.00 0.00 C ATOM 196 O GLN A 17 -2.079 1.168 -7.093 1.00 0.00 O ATOM 197 CB GLN A 17 -4.583 3.249 -7.931 1.00 0.00 C ATOM 198 CG GLN A 17 -3.493 3.687 -8.896 1.00 0.00 C ATOM 199 CD GLN A 17 -4.032 4.026 -10.271 1.00 0.00 C ATOM 200 OE1 GLN A 17 -4.833 3.282 -10.838 1.00 0.00 O ATOM 201 NE2 GLN A 17 -3.596 5.156 -10.816 1.00 0.00 N ATOM 0 H GLN A 17 -2.199 3.239 -6.105 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.897 2.165 -6.102 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.299 2.624 -8.464 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.125 4.129 -7.584 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.979 4.557 -8.487 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.752 2.892 -8.986 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.932 5.743 -10.311 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.925 5.437 -11.740 1.00 0.00 H new ATOM 210 N GLY A 18 -4.049 0.248 -7.671 1.00 0.00 N ATOM 211 CA GLY A 18 -3.437 -0.982 -8.138 1.00 0.00 C ATOM 212 C GLY A 18 -4.082 -2.215 -7.537 1.00 0.00 C ATOM 213 O GLY A 18 -5.080 -2.134 -6.821 1.00 0.00 O ATOM 0 H GLY A 18 -5.065 0.279 -7.754 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.510 -1.031 -9.224 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.376 -0.973 -7.890 1.00 0.00 H new ATOM 217 N PRO A 19 -3.507 -3.391 -7.831 1.00 0.00 N ATOM 218 CA PRO A 19 -4.017 -4.669 -7.326 1.00 0.00 C ATOM 219 C PRO A 19 -3.800 -4.827 -5.825 1.00 0.00 C ATOM 220 O PRO A 19 -4.716 -5.197 -5.091 1.00 0.00 O ATOM 221 CB PRO A 19 -3.198 -5.707 -8.097 1.00 0.00 C ATOM 222 CG PRO A 19 -1.937 -5.002 -8.459 1.00 0.00 C ATOM 223 CD PRO A 19 -2.316 -3.563 -8.679 1.00 0.00 C ATOM 0 HA PRO A 19 -5.093 -4.764 -7.469 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.998 -6.587 -7.486 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.729 -6.050 -8.985 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.197 -5.094 -7.664 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.494 -5.431 -9.358 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.513 -2.887 -8.386 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.536 -3.361 -9.727 1.00 0.00 H new ATOM 231 N GLY A 20 -2.582 -4.545 -5.374 1.00 0.00 N ATOM 232 CA GLY A 20 -2.267 -4.661 -3.963 1.00 0.00 C ATOM 233 C GLY A 20 -3.302 -3.992 -3.081 1.00 0.00 C ATOM 234 O GLY A 20 -3.385 -4.273 -1.884 1.00 0.00 O ATOM 0 H GLY A 20 -1.807 -4.238 -5.962 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.193 -5.715 -3.696 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.290 -4.215 -3.774 1.00 0.00 H new ATOM 238 N LEU A 21 -4.093 -3.102 -3.671 1.00 0.00 N ATOM 239 CA LEU A 21 -5.128 -2.388 -2.930 1.00 0.00 C ATOM 240 C LEU A 21 -6.511 -2.945 -3.253 1.00 0.00 C ATOM 241 O LEU A 21 -7.392 -2.987 -2.394 1.00 0.00 O ATOM 242 CB LEU A 21 -5.078 -0.895 -3.257 1.00 0.00 C ATOM 243 CG LEU A 21 -3.757 -0.186 -2.954 1.00 0.00 C ATOM 244 CD1 LEU A 21 -3.754 1.214 -3.549 1.00 0.00 C ATOM 245 CD2 LEU A 21 -3.514 -0.129 -1.452 1.00 0.00 C ATOM 0 H LEU A 21 -4.038 -2.858 -4.660 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.940 -2.527 -1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.301 -0.768 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.872 -0.395 -2.702 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.948 -0.755 -3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.806 1.703 -3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.881 1.150 -4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.572 1.793 -3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.570 0.379 -1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.326 0.417 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.472 -1.142 -1.052 1.00 0.00 H new ATOM 257 N LYS A 22 -6.694 -3.374 -4.497 1.00 0.00 N ATOM 258 CA LYS A 22 -7.969 -3.932 -4.935 1.00 0.00 C ATOM 259 C LYS A 22 -8.195 -5.312 -4.327 1.00 0.00 C ATOM 260 O LYS A 22 -9.227 -5.565 -3.707 1.00 0.00 O ATOM 261 CB LYS A 22 -8.012 -4.021 -6.462 1.00 0.00 C ATOM 262 CG LYS A 22 -8.338 -2.701 -7.140 1.00 0.00 C ATOM 263 CD LYS A 22 -9.015 -2.916 -8.483 1.00 0.00 C ATOM 264 CE LYS A 22 -8.055 -3.508 -9.503 1.00 0.00 C ATOM 265 NZ LYS A 22 -6.979 -2.548 -9.874 1.00 0.00 N ATOM 0 H LYS A 22 -5.975 -3.346 -5.220 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.765 -3.270 -4.594 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.048 -4.377 -6.824 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.756 -4.763 -6.753 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.988 -2.110 -6.494 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.422 -2.127 -7.281 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.870 -3.580 -8.358 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.401 -1.966 -8.853 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.608 -4.415 -9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.608 -3.797 -10.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.492 -2.886 -10.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.396 -1.614 -10.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.296 -2.473 -9.093 1.00 0.00 H new ATOM 279 N GLU A 23 -7.223 -6.201 -4.510 1.00 0.00 N ATOM 280 CA GLU A 23 -7.318 -7.556 -3.979 1.00 0.00 C ATOM 281 C GLU A 23 -5.950 -8.231 -3.964 1.00 0.00 C ATOM 282 O GLU A 23 -5.151 -8.058 -4.884 1.00 0.00 O ATOM 283 CB GLU A 23 -8.300 -8.385 -4.808 1.00 0.00 C ATOM 284 CG GLU A 23 -7.775 -8.752 -6.186 1.00 0.00 C ATOM 285 CD GLU A 23 -8.865 -9.256 -7.111 1.00 0.00 C ATOM 286 OE1 GLU A 23 -9.557 -10.227 -6.739 1.00 0.00 O ATOM 287 OE2 GLU A 23 -9.027 -8.680 -8.208 1.00 0.00 O ATOM 0 H GLU A 23 -6.362 -6.007 -5.021 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.684 -7.493 -2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.540 -9.299 -4.265 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.230 -7.827 -4.919 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.299 -7.879 -6.633 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.006 -9.518 -6.085 1.00 0.00 H new ATOM 294 N ALA A 24 -5.688 -9.002 -2.913 1.00 0.00 N ATOM 295 CA ALA A 24 -4.419 -9.705 -2.779 1.00 0.00 C ATOM 296 C ALA A 24 -4.638 -11.175 -2.437 1.00 0.00 C ATOM 297 O ALA A 24 -5.773 -11.651 -2.399 1.00 0.00 O ATOM 298 CB ALA A 24 -3.555 -9.038 -1.719 1.00 0.00 C ATOM 0 H ALA A 24 -6.338 -9.155 -2.142 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.902 -9.655 -3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.610 -9.574 -1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.360 -8.005 -2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.075 -9.057 -0.761 1.00 0.00 H new ATOM 304 N PHE A 25 -3.546 -11.889 -2.189 1.00 0.00 N ATOM 305 CA PHE A 25 -3.619 -13.306 -1.851 1.00 0.00 C ATOM 306 C PHE A 25 -2.565 -13.673 -0.811 1.00 0.00 C ATOM 307 O PHE A 25 -1.676 -12.878 -0.503 1.00 0.00 O ATOM 308 CB PHE A 25 -3.433 -14.161 -3.106 1.00 0.00 C ATOM 309 CG PHE A 25 -4.720 -14.474 -3.816 1.00 0.00 C ATOM 310 CD1 PHE A 25 -5.393 -13.490 -4.522 1.00 0.00 C ATOM 311 CD2 PHE A 25 -5.256 -15.751 -3.776 1.00 0.00 C ATOM 312 CE1 PHE A 25 -6.578 -13.774 -5.175 1.00 0.00 C ATOM 313 CE2 PHE A 25 -6.440 -16.041 -4.428 1.00 0.00 C ATOM 314 CZ PHE A 25 -7.101 -15.052 -5.129 1.00 0.00 C ATOM 0 H PHE A 25 -2.599 -11.510 -2.216 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.604 -13.503 -1.428 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.765 -13.642 -3.794 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.943 -15.095 -2.830 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.987 -12.490 -4.563 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.743 -16.529 -3.229 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.094 -12.998 -5.720 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.848 -17.040 -4.389 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.025 -15.277 -5.640 1.00 0.00 H new ATOM 324 N THR A 26 -2.671 -14.883 -0.271 1.00 0.00 N ATOM 325 CA THR A 26 -1.729 -15.356 0.735 1.00 0.00 C ATOM 326 C THR A 26 -0.443 -15.861 0.091 1.00 0.00 C ATOM 327 O THR A 26 -0.476 -16.709 -0.799 1.00 0.00 O ATOM 328 CB THR A 26 -2.339 -16.484 1.590 1.00 0.00 C ATOM 329 OG1 THR A 26 -2.836 -17.526 0.743 1.00 0.00 O ATOM 330 CG2 THR A 26 -3.465 -15.952 2.463 1.00 0.00 C ATOM 0 H THR A 26 -3.400 -15.553 -0.514 1.00 0.00 H new ATOM 0 HA THR A 26 -1.500 -14.506 1.378 1.00 0.00 H new ATOM 0 HB THR A 26 -1.558 -16.884 2.236 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.341 -17.524 -0.103 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.880 -16.766 3.057 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.077 -15.179 3.127 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.246 -15.529 1.831 1.00 0.00 H new ATOM 338 N ASN A 27 0.689 -15.335 0.548 1.00 0.00 N ATOM 339 CA ASN A 27 1.986 -15.733 0.016 1.00 0.00 C ATOM 340 C ASN A 27 2.097 -15.384 -1.465 1.00 0.00 C ATOM 341 O ASN A 27 2.730 -16.102 -2.239 1.00 0.00 O ATOM 342 CB ASN A 27 2.204 -17.234 0.215 1.00 0.00 C ATOM 343 CG ASN A 27 2.252 -17.623 1.680 1.00 0.00 C ATOM 344 OD1 ASN A 27 3.255 -18.148 2.162 1.00 0.00 O ATOM 345 ND2 ASN A 27 1.163 -17.364 2.396 1.00 0.00 N ATOM 0 H ASN A 27 0.734 -14.632 1.286 1.00 0.00 H new ATOM 0 HA ASN A 27 2.756 -15.186 0.559 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.402 -17.783 -0.278 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.136 -17.530 -0.267 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.136 -17.602 3.387 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.354 -16.927 1.954 1.00 0.00 H new ATOM 352 N LYS A 28 1.478 -14.274 -1.854 1.00 0.00 N ATOM 353 CA LYS A 28 1.507 -13.826 -3.241 1.00 0.00 C ATOM 354 C LYS A 28 2.020 -12.394 -3.339 1.00 0.00 C ATOM 355 O LYS A 28 1.785 -11.563 -2.462 1.00 0.00 O ATOM 356 CB LYS A 28 0.111 -13.923 -3.859 1.00 0.00 C ATOM 357 CG LYS A 28 -0.261 -15.326 -4.306 1.00 0.00 C ATOM 358 CD LYS A 28 -1.212 -15.301 -5.491 1.00 0.00 C ATOM 359 CE LYS A 28 -2.022 -16.585 -5.583 1.00 0.00 C ATOM 360 NZ LYS A 28 -1.262 -17.674 -6.257 1.00 0.00 N ATOM 0 H LYS A 28 0.949 -13.668 -1.227 1.00 0.00 H new ATOM 0 HA LYS A 28 2.187 -14.475 -3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.624 -13.576 -3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.055 -13.251 -4.715 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.642 -15.874 -4.575 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.725 -15.862 -3.478 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.887 -14.450 -5.399 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.645 -15.161 -6.411 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.307 -16.907 -4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.945 -16.394 -6.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.849 -18.532 -6.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.012 -17.377 -7.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.394 -17.875 -5.721 1.00 0.00 H new ATOM 374 N PRO A 29 2.738 -12.095 -4.433 1.00 0.00 N ATOM 375 CA PRO A 29 3.297 -10.761 -4.672 1.00 0.00 C ATOM 376 C PRO A 29 2.219 -9.727 -4.977 1.00 0.00 C ATOM 377 O PRO A 29 1.567 -9.785 -6.019 1.00 0.00 O ATOM 378 CB PRO A 29 4.199 -10.969 -5.891 1.00 0.00 C ATOM 379 CG PRO A 29 3.621 -12.148 -6.594 1.00 0.00 C ATOM 380 CD PRO A 29 3.058 -13.036 -5.519 1.00 0.00 C ATOM 0 HA PRO A 29 3.821 -10.375 -3.797 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.205 -10.089 -6.534 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.231 -11.153 -5.593 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.844 -11.842 -7.294 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.383 -12.670 -7.172 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.172 -13.570 -5.862 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.780 -13.788 -5.200 1.00 0.00 H new ATOM 388 N ASN A 30 2.038 -8.780 -4.062 1.00 0.00 N ATOM 389 CA ASN A 30 1.038 -7.732 -4.233 1.00 0.00 C ATOM 390 C ASN A 30 1.683 -6.351 -4.177 1.00 0.00 C ATOM 391 O ASN A 30 2.322 -5.992 -3.188 1.00 0.00 O ATOM 392 CB ASN A 30 -0.042 -7.848 -3.156 1.00 0.00 C ATOM 393 CG ASN A 30 -0.297 -9.285 -2.744 1.00 0.00 C ATOM 394 OD1 ASN A 30 -1.078 -9.994 -3.377 1.00 0.00 O ATOM 395 ND2 ASN A 30 0.364 -9.720 -1.677 1.00 0.00 N ATOM 0 H ASN A 30 2.571 -8.717 -3.195 1.00 0.00 H new ATOM 0 HA ASN A 30 0.578 -7.859 -5.213 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.257 -7.270 -2.282 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.969 -7.409 -3.526 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.234 -10.678 -1.352 1.00 0.00 H new ATOM 0 HD22 ASN A 30 1.002 -9.096 -1.183 1.00 0.00 H new ATOM 402 N VAL A 31 1.511 -5.579 -5.246 1.00 0.00 N ATOM 403 CA VAL A 31 2.074 -4.236 -5.318 1.00 0.00 C ATOM 404 C VAL A 31 1.011 -3.215 -5.705 1.00 0.00 C ATOM 405 O VAL A 31 -0.112 -3.575 -6.059 1.00 0.00 O ATOM 406 CB VAL A 31 3.231 -4.167 -6.332 1.00 0.00 C ATOM 407 CG1 VAL A 31 4.291 -5.207 -6.005 1.00 0.00 C ATOM 408 CG2 VAL A 31 2.709 -4.353 -7.749 1.00 0.00 C ATOM 0 H VAL A 31 0.986 -5.861 -6.074 1.00 0.00 H new ATOM 0 HA VAL A 31 2.456 -3.999 -4.325 1.00 0.00 H new ATOM 0 HB VAL A 31 3.691 -3.181 -6.265 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.100 -5.143 -6.732 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.686 -5.023 -5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.848 -6.202 -6.042 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.540 -4.301 -8.453 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.222 -5.325 -7.833 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.990 -3.566 -7.978 1.00 0.00 H new ATOM 418 N PHE A 32 1.373 -1.938 -5.636 1.00 0.00 N ATOM 419 CA PHE A 32 0.449 -0.862 -5.979 1.00 0.00 C ATOM 420 C PHE A 32 1.209 0.388 -6.414 1.00 0.00 C ATOM 421 O PHE A 32 2.340 0.622 -5.988 1.00 0.00 O ATOM 422 CB PHE A 32 -0.452 -0.536 -4.787 1.00 0.00 C ATOM 423 CG PHE A 32 0.286 -0.454 -3.481 1.00 0.00 C ATOM 424 CD1 PHE A 32 0.536 -1.597 -2.739 1.00 0.00 C ATOM 425 CD2 PHE A 32 0.730 0.766 -2.997 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.215 -1.524 -1.537 1.00 0.00 C ATOM 427 CE2 PHE A 32 1.409 0.845 -1.796 1.00 0.00 C ATOM 428 CZ PHE A 32 1.653 -0.302 -1.066 1.00 0.00 C ATOM 0 H PHE A 32 2.299 -1.623 -5.346 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.169 -1.198 -6.811 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.955 0.413 -4.971 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.228 -1.298 -4.709 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.197 -2.555 -3.104 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.543 1.665 -3.565 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.403 -2.422 -0.967 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.748 1.802 -1.429 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.186 -0.243 -0.128 1.00 0.00 H new ATOM 438 N THR A 33 0.578 1.189 -7.267 1.00 0.00 N ATOM 439 CA THR A 33 1.193 2.415 -7.762 1.00 0.00 C ATOM 440 C THR A 33 0.891 3.592 -6.842 1.00 0.00 C ATOM 441 O THR A 33 -0.270 3.921 -6.598 1.00 0.00 O ATOM 442 CB THR A 33 0.707 2.752 -9.184 1.00 0.00 C ATOM 443 OG1 THR A 33 0.830 1.602 -10.029 1.00 0.00 O ATOM 444 CG2 THR A 33 1.507 3.906 -9.770 1.00 0.00 C ATOM 0 H THR A 33 -0.359 1.011 -7.630 1.00 0.00 H new ATOM 0 HA THR A 33 2.269 2.242 -7.785 1.00 0.00 H new ATOM 0 HB THR A 33 -0.340 3.049 -9.126 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.517 1.824 -10.931 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.146 4.126 -10.775 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.388 4.788 -9.140 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.561 3.632 -9.815 1.00 0.00 H new ATOM 452 N VAL A 34 1.944 4.224 -6.332 1.00 0.00 N ATOM 453 CA VAL A 34 1.791 5.367 -5.440 1.00 0.00 C ATOM 454 C VAL A 34 2.366 6.633 -6.065 1.00 0.00 C ATOM 455 O VAL A 34 3.582 6.781 -6.186 1.00 0.00 O ATOM 456 CB VAL A 34 2.480 5.117 -4.085 1.00 0.00 C ATOM 457 CG1 VAL A 34 2.334 6.330 -3.180 1.00 0.00 C ATOM 458 CG2 VAL A 34 1.911 3.873 -3.420 1.00 0.00 C ATOM 0 H VAL A 34 2.912 3.963 -6.522 1.00 0.00 H new ATOM 0 HA VAL A 34 0.722 5.500 -5.276 1.00 0.00 H new ATOM 0 HB VAL A 34 3.543 4.952 -4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.827 6.135 -2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.794 7.196 -3.656 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.277 6.530 -3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.409 3.711 -2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.842 4.006 -3.254 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.074 3.009 -4.065 1.00 0.00 H new ATOM 468 N VAL A 35 1.484 7.545 -6.460 1.00 0.00 N ATOM 469 CA VAL A 35 1.904 8.800 -7.071 1.00 0.00 C ATOM 470 C VAL A 35 2.028 9.905 -6.027 1.00 0.00 C ATOM 471 O VAL A 35 1.058 10.246 -5.348 1.00 0.00 O ATOM 472 CB VAL A 35 0.916 9.250 -8.164 1.00 0.00 C ATOM 473 CG1 VAL A 35 1.394 10.537 -8.819 1.00 0.00 C ATOM 474 CG2 VAL A 35 0.731 8.151 -9.199 1.00 0.00 C ATOM 0 H VAL A 35 0.474 7.438 -6.368 1.00 0.00 H new ATOM 0 HA VAL A 35 2.879 8.621 -7.524 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.050 9.445 -7.699 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.684 10.839 -9.588 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.470 11.322 -8.066 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.372 10.373 -9.272 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.030 8.486 -9.964 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.691 7.922 -9.662 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.339 7.257 -8.714 1.00 0.00 H new ATOM 484 N THR A 36 3.228 10.463 -5.904 1.00 0.00 N ATOM 485 CA THR A 36 3.480 11.530 -4.944 1.00 0.00 C ATOM 486 C THR A 36 4.117 12.739 -5.619 1.00 0.00 C ATOM 487 O THR A 36 5.025 13.362 -5.069 1.00 0.00 O ATOM 488 CB THR A 36 4.397 11.052 -3.802 1.00 0.00 C ATOM 489 OG1 THR A 36 5.646 10.597 -4.334 1.00 0.00 O ATOM 490 CG2 THR A 36 3.738 9.931 -3.012 1.00 0.00 C ATOM 0 H THR A 36 4.041 10.193 -6.458 1.00 0.00 H new ATOM 0 HA THR A 36 2.514 11.817 -4.529 1.00 0.00 H new ATOM 0 HB THR A 36 4.573 11.893 -3.131 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.224 10.297 -3.601 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.404 9.610 -2.211 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.802 10.289 -2.584 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.535 9.090 -3.674 1.00 0.00 H new ATOM 579 N LEU A 44 7.977 8.888 2.870 1.00 0.00 N ATOM 580 CA LEU A 44 6.858 7.987 2.619 1.00 0.00 C ATOM 581 C LEU A 44 6.981 6.718 3.457 1.00 0.00 C ATOM 582 O LEU A 44 7.945 5.965 3.323 1.00 0.00 O ATOM 583 CB LEU A 44 6.791 7.626 1.134 1.00 0.00 C ATOM 584 CG LEU A 44 5.541 6.870 0.683 1.00 0.00 C ATOM 585 CD1 LEU A 44 4.338 7.799 0.649 1.00 0.00 C ATOM 586 CD2 LEU A 44 5.765 6.235 -0.682 1.00 0.00 C ATOM 0 HA LEU A 44 5.940 8.501 2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.864 8.546 0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.665 7.023 0.887 1.00 0.00 H new ATOM 0 HG LEU A 44 5.341 6.076 1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.458 7.243 0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.164 8.206 1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.528 8.615 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.865 5.701 -0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.991 7.012 -1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.600 5.536 -0.626 1.00 0.00 H new ATOM 598 N GLY A 45 5.997 6.488 4.321 1.00 0.00 N ATOM 599 CA GLY A 45 6.014 5.308 5.167 1.00 0.00 C ATOM 600 C GLY A 45 4.825 4.401 4.920 1.00 0.00 C ATOM 601 O GLY A 45 3.708 4.701 5.345 1.00 0.00 O ATOM 0 H GLY A 45 5.189 7.097 4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.934 4.751 4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.022 5.615 6.213 1.00 0.00 H new ATOM 605 N ILE A 46 5.063 3.291 4.231 1.00 0.00 N ATOM 606 CA ILE A 46 4.002 2.338 3.928 1.00 0.00 C ATOM 607 C ILE A 46 4.173 1.052 4.729 1.00 0.00 C ATOM 608 O ILE A 46 5.271 0.500 4.813 1.00 0.00 O ATOM 609 CB ILE A 46 3.966 1.994 2.427 1.00 0.00 C ATOM 610 CG1 ILE A 46 3.871 3.271 1.591 1.00 0.00 C ATOM 611 CG2 ILE A 46 2.797 1.068 2.124 1.00 0.00 C ATOM 612 CD1 ILE A 46 4.151 3.053 0.120 1.00 0.00 C ATOM 0 H ILE A 46 5.981 3.029 3.872 1.00 0.00 H new ATOM 0 HA ILE A 46 3.062 2.814 4.206 1.00 0.00 H new ATOM 0 HB ILE A 46 4.890 1.479 2.165 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.874 3.696 1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.576 4.005 1.982 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.785 0.834 1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.904 0.147 2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.863 1.559 2.398 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.066 4.001 -0.411 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.159 2.657 -0.004 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.430 2.344 -0.286 1.00 0.00 H new ATOM 624 N THR A 47 3.079 0.577 5.316 1.00 0.00 N ATOM 625 CA THR A 47 3.106 -0.645 6.111 1.00 0.00 C ATOM 626 C THR A 47 1.838 -1.464 5.903 1.00 0.00 C ATOM 627 O THR A 47 0.859 -0.979 5.335 1.00 0.00 O ATOM 628 CB THR A 47 3.265 -0.336 7.611 1.00 0.00 C ATOM 629 OG1 THR A 47 2.457 0.791 7.967 1.00 0.00 O ATOM 630 CG2 THR A 47 4.720 -0.053 7.955 1.00 0.00 C ATOM 0 H THR A 47 2.162 1.020 5.256 1.00 0.00 H new ATOM 0 HA THR A 47 3.967 -1.222 5.774 1.00 0.00 H new ATOM 0 HB THR A 47 2.939 -1.209 8.176 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.562 0.980 8.923 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.807 0.163 9.020 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.328 -0.924 7.710 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.069 0.806 7.381 1.00 0.00 H new ATOM 638 N VAL A 48 1.860 -2.709 6.368 1.00 0.00 N ATOM 639 CA VAL A 48 0.711 -3.596 6.235 1.00 0.00 C ATOM 640 C VAL A 48 0.391 -4.283 7.558 1.00 0.00 C ATOM 641 O VAL A 48 1.270 -4.859 8.198 1.00 0.00 O ATOM 642 CB VAL A 48 0.952 -4.670 5.157 1.00 0.00 C ATOM 643 CG1 VAL A 48 -0.176 -5.691 5.159 1.00 0.00 C ATOM 644 CG2 VAL A 48 1.096 -4.025 3.787 1.00 0.00 C ATOM 0 H VAL A 48 2.662 -3.126 6.841 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.134 -2.976 5.937 1.00 0.00 H new ATOM 0 HB VAL A 48 1.881 -5.191 5.388 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.011 -6.442 4.391 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.227 -6.175 6.134 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.121 -5.189 4.953 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.266 -4.798 3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.185 -3.478 3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.941 -3.336 3.796 1.00 0.00 H new ATOM 654 N GLU A 49 -0.874 -4.218 7.962 1.00 0.00 N ATOM 655 CA GLU A 49 -1.310 -4.834 9.209 1.00 0.00 C ATOM 656 C GLU A 49 -2.302 -5.962 8.942 1.00 0.00 C ATOM 657 O GLU A 49 -3.118 -5.882 8.025 1.00 0.00 O ATOM 658 CB GLU A 49 -1.948 -3.787 10.125 1.00 0.00 C ATOM 659 CG GLU A 49 -0.937 -2.903 10.836 1.00 0.00 C ATOM 660 CD GLU A 49 -1.560 -1.644 11.406 1.00 0.00 C ATOM 661 OE1 GLU A 49 -2.716 -1.715 11.874 1.00 0.00 O ATOM 662 OE2 GLU A 49 -0.894 -0.588 11.382 1.00 0.00 O ATOM 0 H GLU A 49 -1.614 -3.745 7.444 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.433 -5.253 9.702 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.616 -3.159 9.535 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.562 -4.294 10.870 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.469 -3.469 11.642 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.146 -2.628 10.138 1.00 0.00 H new ATOM 669 N GLY A 50 -2.223 -7.015 9.750 1.00 0.00 N ATOM 670 CA GLY A 50 -3.118 -8.146 9.585 1.00 0.00 C ATOM 671 C GLY A 50 -2.867 -9.238 10.606 1.00 0.00 C ATOM 672 O GLY A 50 -2.120 -9.058 11.568 1.00 0.00 O ATOM 0 H GLY A 50 -1.555 -7.105 10.516 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.150 -7.804 9.669 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.999 -8.556 8.582 1.00 0.00 H new ATOM 676 N PRO A 51 -3.504 -10.401 10.402 1.00 0.00 N ATOM 677 CA PRO A 51 -3.362 -11.549 11.303 1.00 0.00 C ATOM 678 C PRO A 51 -1.977 -12.180 11.225 1.00 0.00 C ATOM 679 O PRO A 51 -1.638 -13.058 12.019 1.00 0.00 O ATOM 680 CB PRO A 51 -4.426 -12.528 10.800 1.00 0.00 C ATOM 681 CG PRO A 51 -4.620 -12.172 9.366 1.00 0.00 C ATOM 682 CD PRO A 51 -4.409 -10.685 9.277 1.00 0.00 C ATOM 0 HA PRO A 51 -3.485 -11.265 12.348 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.097 -13.561 10.910 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.354 -12.427 11.362 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.912 -12.705 8.732 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.619 -12.445 9.028 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -3.966 -10.398 8.323 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.348 -10.140 9.369 1.00 0.00 H new ATOM 690 N SER A 52 -1.179 -11.728 10.263 1.00 0.00 N ATOM 691 CA SER A 52 0.169 -12.252 10.078 1.00 0.00 C ATOM 692 C SER A 52 1.076 -11.205 9.438 1.00 0.00 C ATOM 693 O SER A 52 0.673 -10.505 8.510 1.00 0.00 O ATOM 694 CB SER A 52 0.136 -13.513 9.212 1.00 0.00 C ATOM 695 OG SER A 52 -0.361 -13.228 7.916 1.00 0.00 O ATOM 0 H SER A 52 -1.443 -11.000 9.599 1.00 0.00 H new ATOM 0 HA SER A 52 0.571 -12.505 11.059 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.139 -13.932 9.136 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.490 -14.268 9.687 1.00 0.00 H new ATOM 0 HG SER A 52 -0.895 -12.407 7.944 1.00 0.00 H new ATOM 701 N GLU A 53 2.302 -11.106 9.942 1.00 0.00 N ATOM 702 CA GLU A 53 3.266 -10.144 9.420 1.00 0.00 C ATOM 703 C GLU A 53 3.537 -10.394 7.939 1.00 0.00 C ATOM 704 O GLU A 53 3.765 -11.530 7.522 1.00 0.00 O ATOM 705 CB GLU A 53 4.575 -10.221 10.209 1.00 0.00 C ATOM 706 CG GLU A 53 5.629 -9.233 9.736 1.00 0.00 C ATOM 707 CD GLU A 53 5.375 -7.825 10.236 1.00 0.00 C ATOM 708 OE1 GLU A 53 4.381 -7.210 9.795 1.00 0.00 O ATOM 709 OE2 GLU A 53 6.168 -7.337 11.068 1.00 0.00 O ATOM 0 H GLU A 53 2.651 -11.679 10.710 1.00 0.00 H new ATOM 0 HA GLU A 53 2.841 -9.146 9.531 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.365 -10.039 11.263 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.976 -11.232 10.133 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.610 -9.564 10.076 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.654 -9.228 8.646 1.00 0.00 H new ATOM 716 N SER A 54 3.510 -9.325 7.149 1.00 0.00 N ATOM 717 CA SER A 54 3.747 -9.429 5.714 1.00 0.00 C ATOM 718 C SER A 54 5.114 -8.859 5.348 1.00 0.00 C ATOM 719 O SER A 54 5.561 -7.866 5.924 1.00 0.00 O ATOM 720 CB SER A 54 2.651 -8.693 4.940 1.00 0.00 C ATOM 721 OG SER A 54 1.366 -9.163 5.307 1.00 0.00 O ATOM 0 H SER A 54 3.326 -8.377 7.479 1.00 0.00 H new ATOM 0 HA SER A 54 3.727 -10.484 5.442 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.720 -7.623 5.135 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.801 -8.832 3.869 1.00 0.00 H new ATOM 0 HG SER A 54 0.683 -8.676 4.800 1.00 0.00 H new ATOM 727 N LYS A 55 5.774 -9.494 4.385 1.00 0.00 N ATOM 728 CA LYS A 55 7.090 -9.051 3.939 1.00 0.00 C ATOM 729 C LYS A 55 6.970 -7.877 2.973 1.00 0.00 C ATOM 730 O LYS A 55 6.730 -8.065 1.780 1.00 0.00 O ATOM 731 CB LYS A 55 7.837 -10.205 3.266 1.00 0.00 C ATOM 732 CG LYS A 55 8.608 -11.080 4.239 1.00 0.00 C ATOM 733 CD LYS A 55 9.112 -12.348 3.570 1.00 0.00 C ATOM 734 CE LYS A 55 10.471 -12.133 2.921 1.00 0.00 C ATOM 735 NZ LYS A 55 11.208 -13.414 2.740 1.00 0.00 N ATOM 0 H LYS A 55 5.419 -10.317 3.898 1.00 0.00 H new ATOM 0 HA LYS A 55 7.652 -8.723 4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.121 -10.823 2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.530 -9.798 2.529 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.452 -10.521 4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.967 -11.342 5.081 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.182 -13.147 4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.395 -12.673 2.816 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.339 -11.650 1.953 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.064 -11.456 3.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.129 -13.225 2.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.357 -13.863 3.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.654 -14.050 2.132 1.00 0.00 H new ATOM 749 N ILE A 56 7.141 -6.667 3.495 1.00 0.00 N ATOM 750 CA ILE A 56 7.055 -5.464 2.678 1.00 0.00 C ATOM 751 C ILE A 56 8.427 -5.058 2.150 1.00 0.00 C ATOM 752 O ILE A 56 9.444 -5.270 2.809 1.00 0.00 O ATOM 753 CB ILE A 56 6.453 -4.288 3.469 1.00 0.00 C ATOM 754 CG1 ILE A 56 4.946 -4.480 3.645 1.00 0.00 C ATOM 755 CG2 ILE A 56 6.746 -2.971 2.766 1.00 0.00 C ATOM 756 CD1 ILE A 56 4.330 -3.542 4.659 1.00 0.00 C ATOM 0 H ILE A 56 7.340 -6.494 4.480 1.00 0.00 H new ATOM 0 HA ILE A 56 6.401 -5.699 1.839 1.00 0.00 H new ATOM 0 HB ILE A 56 6.914 -4.261 4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.455 -4.335 2.683 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.752 -5.509 3.949 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.314 -2.150 3.337 1.00 0.00 H new ATOM 0 HG22 ILE A 56 7.824 -2.832 2.689 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.310 -2.987 1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.260 -3.736 4.731 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.794 -3.703 5.632 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.492 -2.511 4.346 1.00 0.00 H new ATOM 768 N ASN A 57 8.446 -4.472 0.957 1.00 0.00 N ATOM 769 CA ASN A 57 9.694 -4.035 0.341 1.00 0.00 C ATOM 770 C ASN A 57 9.456 -2.844 -0.583 1.00 0.00 C ATOM 771 O ASN A 57 8.807 -2.972 -1.622 1.00 0.00 O ATOM 772 CB ASN A 57 10.329 -5.184 -0.443 1.00 0.00 C ATOM 773 CG ASN A 57 10.884 -6.266 0.463 1.00 0.00 C ATOM 774 OD1 ASN A 57 11.701 -5.995 1.344 1.00 0.00 O ATOM 775 ND2 ASN A 57 10.441 -7.500 0.252 1.00 0.00 N ATOM 0 H ASN A 57 7.613 -4.289 0.398 1.00 0.00 H new ATOM 0 HA ASN A 57 10.374 -3.726 1.135 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.585 -5.619 -1.110 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.130 -4.793 -1.070 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.778 -8.269 0.831 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.764 -7.679 -0.489 1.00 0.00 H new ATOM 782 N CYS A 58 9.985 -1.688 -0.197 1.00 0.00 N ATOM 783 CA CYS A 58 9.830 -0.474 -0.991 1.00 0.00 C ATOM 784 C CYS A 58 11.031 -0.268 -1.909 1.00 0.00 C ATOM 785 O CYS A 58 12.160 -0.612 -1.558 1.00 0.00 O ATOM 786 CB CYS A 58 9.658 0.739 -0.076 1.00 0.00 C ATOM 787 SG CYS A 58 7.952 1.035 0.445 1.00 0.00 S ATOM 0 H CYS A 58 10.524 -1.566 0.660 1.00 0.00 H new ATOM 0 HA CYS A 58 8.939 -0.584 -1.608 1.00 0.00 H new ATOM 0 HB2 CYS A 58 10.279 0.603 0.810 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.028 1.625 -0.592 1.00 0.00 H new ATOM 0 HG CYS A 58 7.909 2.080 1.217 1.00 0.00 H new ATOM 895 N CYS A 66 6.440 5.874 -6.415 1.00 0.00 N ATOM 896 CA CYS A 66 7.069 4.929 -5.499 1.00 0.00 C ATOM 897 C CYS A 66 6.453 3.541 -5.642 1.00 0.00 C ATOM 898 O CYS A 66 5.241 3.402 -5.805 1.00 0.00 O ATOM 899 CB CYS A 66 6.930 5.415 -4.056 1.00 0.00 C ATOM 900 SG CYS A 66 8.189 4.765 -2.933 1.00 0.00 S ATOM 0 HA CYS A 66 8.127 4.865 -5.753 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.976 6.504 -4.045 1.00 0.00 H new ATOM 0 HB3 CYS A 66 5.945 5.134 -3.683 1.00 0.00 H new ATOM 0 HG CYS A 66 8.417 5.629 -1.989 1.00 0.00 H new ATOM 906 N SER A 67 7.297 2.515 -5.582 1.00 0.00 N ATOM 907 CA SER A 67 6.836 1.138 -5.711 1.00 0.00 C ATOM 908 C SER A 67 6.918 0.411 -4.372 1.00 0.00 C ATOM 909 O SER A 67 7.963 0.399 -3.722 1.00 0.00 O ATOM 910 CB SER A 67 7.668 0.395 -6.759 1.00 0.00 C ATOM 911 OG SER A 67 7.157 0.613 -8.062 1.00 0.00 O ATOM 0 H SER A 67 8.303 2.612 -5.445 1.00 0.00 H new ATOM 0 HA SER A 67 5.794 1.158 -6.032 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.704 0.730 -6.710 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.668 -0.672 -6.538 1.00 0.00 H new ATOM 0 HG SER A 67 7.706 0.130 -8.714 1.00 0.00 H new ATOM 917 N ALA A 68 5.807 -0.195 -3.966 1.00 0.00 N ATOM 918 CA ALA A 68 5.752 -0.926 -2.706 1.00 0.00 C ATOM 919 C ALA A 68 5.136 -2.308 -2.900 1.00 0.00 C ATOM 920 O ALA A 68 4.037 -2.437 -3.439 1.00 0.00 O ATOM 921 CB ALA A 68 4.966 -0.136 -1.671 1.00 0.00 C ATOM 0 H ALA A 68 4.933 -0.194 -4.492 1.00 0.00 H new ATOM 0 HA ALA A 68 6.772 -1.059 -2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.933 -0.694 -0.735 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.450 0.826 -1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.951 0.027 -2.032 1.00 0.00 H new ATOM 927 N GLU A 69 5.851 -3.337 -2.457 1.00 0.00 N ATOM 928 CA GLU A 69 5.373 -4.709 -2.584 1.00 0.00 C ATOM 929 C GLU A 69 5.264 -5.376 -1.216 1.00 0.00 C ATOM 930 O GLU A 69 6.059 -5.104 -0.316 1.00 0.00 O ATOM 931 CB GLU A 69 6.310 -5.518 -3.485 1.00 0.00 C ATOM 932 CG GLU A 69 7.755 -5.515 -3.018 1.00 0.00 C ATOM 933 CD GLU A 69 8.561 -6.656 -3.609 1.00 0.00 C ATOM 934 OE1 GLU A 69 8.470 -7.784 -3.081 1.00 0.00 O ATOM 935 OE2 GLU A 69 9.283 -6.420 -4.600 1.00 0.00 O ATOM 0 H GLU A 69 6.762 -3.247 -2.008 1.00 0.00 H new ATOM 0 HA GLU A 69 4.381 -4.681 -3.035 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.955 -6.547 -3.533 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.263 -5.117 -4.497 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.219 -4.567 -3.291 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.782 -5.581 -1.930 1.00 0.00 H new ATOM 942 N TYR A 70 4.275 -6.249 -1.067 1.00 0.00 N ATOM 943 CA TYR A 70 4.059 -6.953 0.191 1.00 0.00 C ATOM 944 C TYR A 70 3.568 -8.376 -0.058 1.00 0.00 C ATOM 945 O TYR A 70 2.910 -8.651 -1.061 1.00 0.00 O ATOM 946 CB TYR A 70 3.049 -6.197 1.056 1.00 0.00 C ATOM 947 CG TYR A 70 1.632 -6.267 0.533 1.00 0.00 C ATOM 948 CD1 TYR A 70 0.797 -7.324 0.871 1.00 0.00 C ATOM 949 CD2 TYR A 70 1.128 -5.274 -0.298 1.00 0.00 C ATOM 950 CE1 TYR A 70 -0.498 -7.392 0.395 1.00 0.00 C ATOM 951 CE2 TYR A 70 -0.166 -5.332 -0.778 1.00 0.00 C ATOM 952 CZ TYR A 70 -0.975 -6.394 -0.429 1.00 0.00 C ATOM 953 OH TYR A 70 -2.265 -6.457 -0.904 1.00 0.00 O ATOM 0 H TYR A 70 3.609 -6.486 -1.802 1.00 0.00 H new ATOM 0 HA TYR A 70 5.012 -7.004 0.718 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.074 -6.602 2.068 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.351 -5.152 1.123 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.167 -8.106 1.517 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.759 -4.442 -0.574 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.133 -8.222 0.667 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -0.542 -4.551 -1.422 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.625 -5.550 -0.994 1.00 0.00 H new ATOM 963 N ILE A 71 3.893 -9.277 0.864 1.00 0.00 N ATOM 964 CA ILE A 71 3.484 -10.671 0.747 1.00 0.00 C ATOM 965 C ILE A 71 3.050 -11.232 2.096 1.00 0.00 C ATOM 966 O ILE A 71 3.871 -11.526 2.967 1.00 0.00 O ATOM 967 CB ILE A 71 4.618 -11.545 0.180 1.00 0.00 C ATOM 968 CG1 ILE A 71 4.980 -11.094 -1.237 1.00 0.00 C ATOM 969 CG2 ILE A 71 4.212 -13.011 0.188 1.00 0.00 C ATOM 970 CD1 ILE A 71 6.317 -11.617 -1.715 1.00 0.00 C ATOM 0 H ILE A 71 4.438 -9.066 1.700 1.00 0.00 H new ATOM 0 HA ILE A 71 2.639 -10.695 0.058 1.00 0.00 H new ATOM 0 HB ILE A 71 5.497 -11.429 0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.202 -11.426 -1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.992 -10.005 -1.271 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.024 -13.616 -0.216 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.000 -13.324 1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.321 -13.145 -0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.508 -11.258 -2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.105 -11.264 -1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.303 -12.707 -1.714 1.00 0.00 H new ATOM 982 N PRO A 72 1.730 -11.387 2.277 1.00 0.00 N ATOM 983 CA PRO A 72 1.158 -11.917 3.518 1.00 0.00 C ATOM 984 C PRO A 72 1.457 -13.400 3.707 1.00 0.00 C ATOM 985 O PRO A 72 1.948 -14.066 2.796 1.00 0.00 O ATOM 986 CB PRO A 72 -0.346 -11.693 3.339 1.00 0.00 C ATOM 987 CG PRO A 72 -0.551 -11.665 1.864 1.00 0.00 C ATOM 988 CD PRO A 72 0.695 -11.057 1.283 1.00 0.00 C ATOM 0 HA PRO A 72 1.574 -11.429 4.400 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.923 -12.492 3.804 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.665 -10.759 3.801 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.713 -12.670 1.474 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.430 -11.076 1.604 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.929 -11.477 0.305 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.593 -9.980 1.151 1.00 0.00 H new ATOM 996 N PHE A 73 1.156 -13.912 4.896 1.00 0.00 N ATOM 997 CA PHE A 73 1.393 -15.317 5.205 1.00 0.00 C ATOM 998 C PHE A 73 0.090 -16.021 5.571 1.00 0.00 C ATOM 999 O PHE A 73 0.013 -17.249 5.565 1.00 0.00 O ATOM 1000 CB PHE A 73 2.396 -15.447 6.354 1.00 0.00 C ATOM 1001 CG PHE A 73 3.782 -14.994 5.994 1.00 0.00 C ATOM 1002 CD1 PHE A 73 4.022 -13.680 5.626 1.00 0.00 C ATOM 1003 CD2 PHE A 73 4.845 -15.882 6.023 1.00 0.00 C ATOM 1004 CE1 PHE A 73 5.296 -13.259 5.295 1.00 0.00 C ATOM 1005 CE2 PHE A 73 6.121 -15.468 5.693 1.00 0.00 C ATOM 1006 CZ PHE A 73 6.347 -14.155 5.327 1.00 0.00 C ATOM 0 H PHE A 73 0.748 -13.375 5.661 1.00 0.00 H new ATOM 0 HA PHE A 73 1.806 -15.794 4.316 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.041 -14.864 7.203 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.435 -16.488 6.676 1.00 0.00 H new ATOM 0 HD1 PHE A 73 3.203 -12.976 5.597 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.674 -16.910 6.307 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.470 -12.231 5.012 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.941 -16.170 5.721 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.343 -13.830 5.066 1.00 0.00 H new ATOM 1016 N ALA A 74 -0.932 -15.233 5.889 1.00 0.00 N ATOM 1017 CA ALA A 74 -2.232 -15.780 6.256 1.00 0.00 C ATOM 1018 C ALA A 74 -3.365 -14.919 5.706 1.00 0.00 C ATOM 1019 O ALA A 74 -3.275 -13.692 5.655 1.00 0.00 O ATOM 1020 CB ALA A 74 -2.346 -15.901 7.769 1.00 0.00 C ATOM 0 H ALA A 74 -0.885 -14.214 5.900 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.318 -16.773 5.815 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.322 -16.311 8.029 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.564 -16.563 8.141 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.234 -14.916 8.222 1.00 0.00 H new ATOM 1026 N PRO A 75 -4.456 -15.574 5.285 1.00 0.00 N ATOM 1027 CA PRO A 75 -5.627 -14.888 4.731 1.00 0.00 C ATOM 1028 C PRO A 75 -6.390 -14.098 5.788 1.00 0.00 C ATOM 1029 O PRO A 75 -6.365 -14.439 6.970 1.00 0.00 O ATOM 1030 CB PRO A 75 -6.489 -16.034 4.194 1.00 0.00 C ATOM 1031 CG PRO A 75 -6.091 -17.219 5.004 1.00 0.00 C ATOM 1032 CD PRO A 75 -4.632 -17.036 5.317 1.00 0.00 C ATOM 0 HA PRO A 75 -5.349 -14.155 3.974 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.551 -15.817 4.306 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.308 -16.201 3.132 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.681 -17.283 5.918 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.259 -18.143 4.451 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.375 -17.450 6.292 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.998 -17.533 4.583 1.00 0.00 H new ATOM 1040 N GLY A 76 -7.069 -13.040 5.355 1.00 0.00 N ATOM 1041 CA GLY A 76 -7.830 -12.218 6.278 1.00 0.00 C ATOM 1042 C GLY A 76 -7.957 -10.783 5.807 1.00 0.00 C ATOM 1043 O GLY A 76 -7.684 -10.477 4.646 1.00 0.00 O ATOM 0 H GLY A 76 -7.106 -12.737 4.382 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.825 -12.645 6.404 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.349 -12.235 7.256 1.00 0.00 H new ATOM 1047 N ASP A 77 -8.373 -9.901 6.709 1.00 0.00 N ATOM 1048 CA ASP A 77 -8.536 -8.489 6.379 1.00 0.00 C ATOM 1049 C ASP A 77 -7.290 -7.695 6.757 1.00 0.00 C ATOM 1050 O ASP A 77 -6.942 -7.590 7.933 1.00 0.00 O ATOM 1051 CB ASP A 77 -9.759 -7.915 7.096 1.00 0.00 C ATOM 1052 CG ASP A 77 -9.912 -8.455 8.504 1.00 0.00 C ATOM 1053 OD1 ASP A 77 -8.906 -8.477 9.243 1.00 0.00 O ATOM 1054 OD2 ASP A 77 -11.038 -8.857 8.867 1.00 0.00 O ATOM 0 H ASP A 77 -8.603 -10.138 7.674 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.683 -8.407 5.302 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.678 -6.829 7.134 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.656 -8.148 6.521 1.00 0.00 H new ATOM 1059 N TYR A 78 -6.622 -7.139 5.752 1.00 0.00 N ATOM 1060 CA TYR A 78 -5.412 -6.358 5.979 1.00 0.00 C ATOM 1061 C TYR A 78 -5.684 -4.868 5.797 1.00 0.00 C ATOM 1062 O TYR A 78 -6.641 -4.477 5.128 1.00 0.00 O ATOM 1063 CB TYR A 78 -4.304 -6.805 5.023 1.00 0.00 C ATOM 1064 CG TYR A 78 -3.639 -8.100 5.432 1.00 0.00 C ATOM 1065 CD1 TYR A 78 -4.288 -9.318 5.272 1.00 0.00 C ATOM 1066 CD2 TYR A 78 -2.362 -8.105 5.980 1.00 0.00 C ATOM 1067 CE1 TYR A 78 -3.684 -10.504 5.644 1.00 0.00 C ATOM 1068 CE2 TYR A 78 -1.750 -9.286 6.354 1.00 0.00 C ATOM 1069 CZ TYR A 78 -2.415 -10.482 6.185 1.00 0.00 C ATOM 1070 OH TYR A 78 -1.809 -11.660 6.557 1.00 0.00 O ATOM 0 H TYR A 78 -6.898 -7.215 4.773 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.088 -6.528 7.006 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.723 -6.921 4.023 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.549 -6.021 4.963 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.282 -9.338 4.850 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.839 -7.170 6.116 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.202 -11.442 5.512 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.756 -9.272 6.776 1.00 0.00 H new ATOM 0 HH TYR A 78 -2.265 -12.413 6.126 1.00 0.00 H new ATOM 1080 N ASP A 79 -4.836 -4.041 6.397 1.00 0.00 N ATOM 1081 CA ASP A 79 -4.982 -2.593 6.302 1.00 0.00 C ATOM 1082 C ASP A 79 -3.654 -1.936 5.937 1.00 0.00 C ATOM 1083 O ASP A 79 -2.727 -1.895 6.745 1.00 0.00 O ATOM 1084 CB ASP A 79 -5.501 -2.023 7.622 1.00 0.00 C ATOM 1085 CG ASP A 79 -7.016 -2.006 7.690 1.00 0.00 C ATOM 1086 OD1 ASP A 79 -7.625 -1.076 7.121 1.00 0.00 O ATOM 1087 OD2 ASP A 79 -7.592 -2.924 8.310 1.00 0.00 O ATOM 0 H ASP A 79 -4.039 -4.348 6.955 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.703 -2.376 5.514 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.110 -2.616 8.449 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.123 -1.009 7.750 1.00 0.00 H new ATOM 1092 N VAL A 80 -3.570 -1.422 4.713 1.00 0.00 N ATOM 1093 CA VAL A 80 -2.357 -0.767 4.241 1.00 0.00 C ATOM 1094 C VAL A 80 -2.263 0.661 4.768 1.00 0.00 C ATOM 1095 O VAL A 80 -3.019 1.537 4.352 1.00 0.00 O ATOM 1096 CB VAL A 80 -2.296 -0.740 2.702 1.00 0.00 C ATOM 1097 CG1 VAL A 80 -0.983 -0.134 2.230 1.00 0.00 C ATOM 1098 CG2 VAL A 80 -2.480 -2.140 2.138 1.00 0.00 C ATOM 0 H VAL A 80 -4.328 -1.447 4.031 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.516 -1.347 4.620 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.110 -0.115 2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.958 -0.123 1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.897 0.886 2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.151 -0.730 2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.434 -2.103 1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.689 -2.790 2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.449 -2.532 2.447 1.00 0.00 H new ATOM 1108 N ASN A 81 -1.328 0.887 5.685 1.00 0.00 N ATOM 1109 CA ASN A 81 -1.135 2.209 6.269 1.00 0.00 C ATOM 1110 C ASN A 81 -0.111 3.012 5.472 1.00 0.00 C ATOM 1111 O ASN A 81 1.044 2.604 5.338 1.00 0.00 O ATOM 1112 CB ASN A 81 -0.680 2.085 7.725 1.00 0.00 C ATOM 1113 CG ASN A 81 -1.802 1.643 8.645 1.00 0.00 C ATOM 1114 OD1 ASN A 81 -2.292 2.421 9.464 1.00 0.00 O ATOM 1115 ND2 ASN A 81 -2.215 0.388 8.514 1.00 0.00 N ATOM 0 H ASN A 81 -0.693 0.172 6.039 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.089 2.736 6.236 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.140 1.370 7.787 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.292 3.045 8.065 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.967 0.034 9.105 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.780 -0.222 7.822 1.00 0.00 H new ATOM 1122 N ILE A 82 -0.541 4.153 4.946 1.00 0.00 N ATOM 1123 CA ILE A 82 0.338 5.013 4.164 1.00 0.00 C ATOM 1124 C ILE A 82 0.314 6.445 4.687 1.00 0.00 C ATOM 1125 O ILE A 82 -0.723 7.110 4.662 1.00 0.00 O ATOM 1126 CB ILE A 82 -0.055 5.015 2.675 1.00 0.00 C ATOM 1127 CG1 ILE A 82 -0.111 3.584 2.138 1.00 0.00 C ATOM 1128 CG2 ILE A 82 0.928 5.852 1.869 1.00 0.00 C ATOM 1129 CD1 ILE A 82 -1.061 3.412 0.973 1.00 0.00 C ATOM 0 H ILE A 82 -1.493 4.504 5.047 1.00 0.00 H new ATOM 0 HA ILE A 82 1.345 4.609 4.265 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.046 5.459 2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.889 3.281 1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.412 2.914 2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.637 5.844 0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.922 6.877 2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.930 5.435 1.971 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.049 2.373 0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.070 3.683 1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.749 4.056 0.151 1.00 0.00 H new ATOM 1141 N THR A 83 1.463 6.917 5.160 1.00 0.00 N ATOM 1142 CA THR A 83 1.575 8.271 5.689 1.00 0.00 C ATOM 1143 C THR A 83 2.739 9.017 5.048 1.00 0.00 C ATOM 1144 O THR A 83 3.785 8.431 4.767 1.00 0.00 O ATOM 1145 CB THR A 83 1.763 8.263 7.217 1.00 0.00 C ATOM 1146 OG1 THR A 83 2.789 7.332 7.580 1.00 0.00 O ATOM 1147 CG2 THR A 83 0.466 7.895 7.921 1.00 0.00 C ATOM 0 H THR A 83 2.330 6.381 5.188 1.00 0.00 H new ATOM 0 HA THR A 83 0.643 8.783 5.448 1.00 0.00 H new ATOM 0 HB THR A 83 2.055 9.266 7.529 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.903 7.334 8.553 1.00 0.00 H new ATOM 0 HG21 THR A 83 0.624 7.896 8.999 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.305 8.622 7.667 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.148 6.902 7.602 1.00 0.00 H new ATOM 1155 N TYR A 84 2.552 10.312 4.820 1.00 0.00 N ATOM 1156 CA TYR A 84 3.588 11.138 4.211 1.00 0.00 C ATOM 1157 C TYR A 84 4.204 12.084 5.237 1.00 0.00 C ATOM 1158 O TYR A 84 3.637 13.129 5.555 1.00 0.00 O ATOM 1159 CB TYR A 84 3.009 11.940 3.044 1.00 0.00 C ATOM 1160 CG TYR A 84 4.035 12.315 1.999 1.00 0.00 C ATOM 1161 CD1 TYR A 84 4.861 11.352 1.432 1.00 0.00 C ATOM 1162 CD2 TYR A 84 4.178 13.631 1.578 1.00 0.00 C ATOM 1163 CE1 TYR A 84 5.801 11.690 0.477 1.00 0.00 C ATOM 1164 CE2 TYR A 84 5.114 13.978 0.622 1.00 0.00 C ATOM 1165 CZ TYR A 84 5.923 13.004 0.075 1.00 0.00 C ATOM 1166 OH TYR A 84 6.857 13.345 -0.876 1.00 0.00 O ATOM 0 H TYR A 84 1.693 10.813 5.048 1.00 0.00 H new ATOM 0 HA TYR A 84 4.371 10.478 3.837 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.218 11.358 2.572 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.549 12.849 3.432 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.767 10.322 1.743 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.547 14.396 2.005 1.00 0.00 H new ATOM 0 HE1 TYR A 84 6.437 10.930 0.048 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.211 15.006 0.305 1.00 0.00 H new ATOM 0 HH TYR A 84 6.813 14.309 -1.047 1.00 0.00 H new ATOM 1176 N GLY A 85 5.371 11.710 5.752 1.00 0.00 N ATOM 1177 CA GLY A 85 6.047 12.535 6.736 1.00 0.00 C ATOM 1178 C GLY A 85 5.471 12.365 8.128 1.00 0.00 C ATOM 1179 O GLY A 85 6.106 11.778 9.003 1.00 0.00 O ATOM 0 H GLY A 85 5.861 10.850 5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.107 12.282 6.751 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.973 13.582 6.441 1.00 0.00 H new ATOM 1183 N GLY A 86 4.264 12.884 8.335 1.00 0.00 N ATOM 1184 CA GLY A 86 3.624 12.778 9.633 1.00 0.00 C ATOM 1185 C GLY A 86 2.114 12.871 9.543 1.00 0.00 C ATOM 1186 O GLY A 86 1.443 13.154 10.535 1.00 0.00 O ATOM 0 H GLY A 86 3.719 13.376 7.627 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.900 11.830 10.095 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.996 13.569 10.284 1.00 0.00 H new ATOM 1190 N ALA A 87 1.577 12.632 8.351 1.00 0.00 N ATOM 1191 CA ALA A 87 0.137 12.690 8.136 1.00 0.00 C ATOM 1192 C ALA A 87 -0.350 11.476 7.352 1.00 0.00 C ATOM 1193 O ALA A 87 0.421 10.839 6.633 1.00 0.00 O ATOM 1194 CB ALA A 87 -0.238 13.974 7.411 1.00 0.00 C ATOM 0 H ALA A 87 2.118 12.396 7.519 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.351 12.681 9.110 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.317 14.003 7.257 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.067 14.832 8.010 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.267 14.008 6.446 1.00 0.00 H new ATOM 1200 N HIS A 88 -1.634 11.161 7.495 1.00 0.00 N ATOM 1201 CA HIS A 88 -2.223 10.022 6.799 1.00 0.00 C ATOM 1202 C HIS A 88 -2.938 10.473 5.529 1.00 0.00 C ATOM 1203 O HIS A 88 -3.775 11.376 5.563 1.00 0.00 O ATOM 1204 CB HIS A 88 -3.202 9.288 7.716 1.00 0.00 C ATOM 1205 CG HIS A 88 -2.545 8.281 8.609 1.00 0.00 C ATOM 1206 ND1 HIS A 88 -2.479 6.937 8.308 1.00 0.00 N ATOM 1207 CD2 HIS A 88 -1.921 8.429 9.801 1.00 0.00 C ATOM 1208 CE1 HIS A 88 -1.845 6.302 9.277 1.00 0.00 C ATOM 1209 NE2 HIS A 88 -1.495 7.184 10.195 1.00 0.00 N ATOM 0 H HIS A 88 -2.286 11.678 8.086 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.418 9.342 6.520 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.728 10.018 8.331 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.952 8.785 7.105 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.784 9.354 10.342 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.646 5.241 9.312 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.990 6.975 11.056 1.00 0.00 H new ATOM 1218 N ILE A 89 -2.603 9.839 4.410 1.00 0.00 N ATOM 1219 CA ILE A 89 -3.214 10.174 3.130 1.00 0.00 C ATOM 1220 C ILE A 89 -4.689 9.789 3.107 1.00 0.00 C ATOM 1221 O ILE A 89 -5.123 8.854 3.780 1.00 0.00 O ATOM 1222 CB ILE A 89 -2.494 9.475 1.962 1.00 0.00 C ATOM 1223 CG1 ILE A 89 -2.674 7.958 2.058 1.00 0.00 C ATOM 1224 CG2 ILE A 89 -1.017 9.839 1.957 1.00 0.00 C ATOM 1225 CD1 ILE A 89 -2.416 7.235 0.755 1.00 0.00 C ATOM 0 H ILE A 89 -1.912 9.090 4.364 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.121 11.253 3.009 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.936 9.816 1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.000 7.568 2.820 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.689 7.741 2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.521 9.337 1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.909 10.918 1.846 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.561 9.523 2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.562 6.164 0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.108 7.597 -0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.392 7.421 0.432 1.00 0.00 H new ATOM 1237 N PRO A 90 -5.480 10.525 2.312 1.00 0.00 N ATOM 1238 CA PRO A 90 -6.919 10.278 2.180 1.00 0.00 C ATOM 1239 C PRO A 90 -7.219 8.979 1.439 1.00 0.00 C ATOM 1240 O PRO A 90 -7.249 8.947 0.210 1.00 0.00 O ATOM 1241 CB PRO A 90 -7.413 11.481 1.372 1.00 0.00 C ATOM 1242 CG PRO A 90 -6.220 11.937 0.605 1.00 0.00 C ATOM 1243 CD PRO A 90 -5.031 11.655 1.482 1.00 0.00 C ATOM 0 HA PRO A 90 -7.404 10.170 3.150 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.229 11.202 0.706 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.789 12.269 2.025 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.140 11.406 -0.344 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.289 12.999 0.371 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.150 11.397 0.894 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.766 12.520 2.090 1.00 0.00 H new ATOM 1251 N GLY A 91 -7.440 7.909 2.196 1.00 0.00 N ATOM 1252 CA GLY A 91 -7.734 6.622 1.593 1.00 0.00 C ATOM 1253 C GLY A 91 -7.194 5.463 2.407 1.00 0.00 C ATOM 1254 O GLY A 91 -7.562 4.311 2.180 1.00 0.00 O ATOM 0 H GLY A 91 -7.421 7.910 3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.813 6.514 1.484 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.307 6.588 0.591 1.00 0.00 H new ATOM 1258 N SER A 92 -6.316 5.768 3.358 1.00 0.00 N ATOM 1259 CA SER A 92 -5.720 4.742 4.205 1.00 0.00 C ATOM 1260 C SER A 92 -6.283 4.812 5.621 1.00 0.00 C ATOM 1261 O SER A 92 -6.718 5.863 6.093 1.00 0.00 O ATOM 1262 CB SER A 92 -4.198 4.901 4.241 1.00 0.00 C ATOM 1263 OG SER A 92 -3.670 4.480 5.486 1.00 0.00 O ATOM 0 H SER A 92 -6.002 6.717 3.561 1.00 0.00 H new ATOM 0 HA SER A 92 -5.967 3.768 3.782 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.749 4.318 3.437 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.934 5.944 4.065 1.00 0.00 H new ATOM 0 HG SER A 92 -3.205 5.229 5.914 1.00 0.00 H new ATOM 1269 N PRO A 93 -6.275 3.665 6.318 1.00 0.00 N ATOM 1270 CA PRO A 93 -5.760 2.408 5.767 1.00 0.00 C ATOM 1271 C PRO A 93 -6.654 1.848 4.666 1.00 0.00 C ATOM 1272 O PRO A 93 -7.864 2.075 4.660 1.00 0.00 O ATOM 1273 CB PRO A 93 -5.748 1.470 6.976 1.00 0.00 C ATOM 1274 CG PRO A 93 -6.789 2.017 7.890 1.00 0.00 C ATOM 1275 CD PRO A 93 -6.769 3.508 7.696 1.00 0.00 C ATOM 0 HA PRO A 93 -4.783 2.537 5.301 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.977 0.445 6.684 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.769 1.454 7.455 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.771 1.606 7.654 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.575 1.755 8.926 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.761 3.943 7.819 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.114 3.998 8.416 1.00 0.00 H new ATOM 1283 N PHE A 94 -6.051 1.115 3.736 1.00 0.00 N ATOM 1284 CA PHE A 94 -6.794 0.523 2.629 1.00 0.00 C ATOM 1285 C PHE A 94 -7.049 -0.961 2.878 1.00 0.00 C ATOM 1286 O PHE A 94 -6.125 -1.774 2.851 1.00 0.00 O ATOM 1287 CB PHE A 94 -6.028 0.707 1.317 1.00 0.00 C ATOM 1288 CG PHE A 94 -5.916 2.141 0.884 1.00 0.00 C ATOM 1289 CD1 PHE A 94 -5.026 2.999 1.510 1.00 0.00 C ATOM 1290 CD2 PHE A 94 -6.700 2.630 -0.148 1.00 0.00 C ATOM 1291 CE1 PHE A 94 -4.922 4.319 1.114 1.00 0.00 C ATOM 1292 CE2 PHE A 94 -6.599 3.949 -0.549 1.00 0.00 C ATOM 1293 CZ PHE A 94 -5.708 4.795 0.083 1.00 0.00 C ATOM 0 H PHE A 94 -5.051 0.917 3.727 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.755 1.032 2.555 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.027 0.290 1.429 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.525 0.137 0.532 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.407 2.632 2.316 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.398 1.973 -0.645 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.226 4.978 1.611 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -7.216 4.318 -1.355 1.00 0.00 H new ATOM 0 HZ PHE A 94 -5.626 5.826 -0.228 1.00 0.00 H new ATOM 1303 N ARG A 95 -8.310 -1.305 3.121 1.00 0.00 N ATOM 1304 CA ARG A 95 -8.688 -2.690 3.377 1.00 0.00 C ATOM 1305 C ARG A 95 -8.492 -3.546 2.130 1.00 0.00 C ATOM 1306 O ARG A 95 -8.982 -3.212 1.051 1.00 0.00 O ATOM 1307 CB ARG A 95 -10.144 -2.766 3.838 1.00 0.00 C ATOM 1308 CG ARG A 95 -10.433 -3.947 4.750 1.00 0.00 C ATOM 1309 CD ARG A 95 -10.525 -5.247 3.966 1.00 0.00 C ATOM 1310 NE ARG A 95 -11.747 -5.320 3.169 1.00 0.00 N ATOM 1311 CZ ARG A 95 -12.289 -6.461 2.758 1.00 0.00 C ATOM 1312 NH1 ARG A 95 -11.721 -7.619 3.068 1.00 0.00 N ATOM 1313 NH2 ARG A 95 -13.402 -6.447 2.036 1.00 0.00 N ATOM 0 H ARG A 95 -9.087 -0.644 3.146 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.044 -3.077 4.167 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.400 -1.844 4.360 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.791 -2.827 2.963 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.647 -4.029 5.501 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.368 -3.776 5.284 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.659 -5.337 3.311 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.491 -6.090 4.656 1.00 0.00 H new ATOM 0 HE ARG A 95 -12.209 -4.447 2.914 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.866 -7.635 3.623 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.140 -8.493 2.751 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.843 -5.559 1.796 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.817 -7.324 1.721 1.00 0.00 H new ATOM 1327 N VAL A 96 -7.772 -4.652 2.285 1.00 0.00 N ATOM 1328 CA VAL A 96 -7.511 -5.557 1.171 1.00 0.00 C ATOM 1329 C VAL A 96 -7.876 -6.993 1.533 1.00 0.00 C ATOM 1330 O VAL A 96 -7.316 -7.589 2.454 1.00 0.00 O ATOM 1331 CB VAL A 96 -6.033 -5.507 0.742 1.00 0.00 C ATOM 1332 CG1 VAL A 96 -5.784 -6.451 -0.425 1.00 0.00 C ATOM 1333 CG2 VAL A 96 -5.630 -4.085 0.383 1.00 0.00 C ATOM 0 H VAL A 96 -7.359 -4.943 3.171 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.134 -5.225 0.340 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.418 -5.833 1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.734 -6.402 -0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.032 -7.470 -0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.407 -6.158 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.582 -4.069 0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.249 -3.728 -0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.769 -3.438 1.249 1.00 0.00 H new ATOM 1343 N PRO A 97 -8.837 -7.563 0.792 1.00 0.00 N ATOM 1344 CA PRO A 97 -9.298 -8.937 1.016 1.00 0.00 C ATOM 1345 C PRO A 97 -8.248 -9.971 0.626 1.00 0.00 C ATOM 1346 O PRO A 97 -8.098 -10.307 -0.549 1.00 0.00 O ATOM 1347 CB PRO A 97 -10.525 -9.052 0.107 1.00 0.00 C ATOM 1348 CG PRO A 97 -10.296 -8.045 -0.967 1.00 0.00 C ATOM 1349 CD PRO A 97 -9.548 -6.912 -0.321 1.00 0.00 C ATOM 0 HA PRO A 97 -9.510 -9.130 2.068 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -10.619 -10.056 -0.306 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -11.444 -8.845 0.655 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.721 -8.474 -1.788 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -11.241 -7.700 -1.386 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -8.856 -6.438 -1.018 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.225 -6.135 0.034 1.00 0.00 H new ATOM 1357 N VAL A 98 -7.522 -10.475 1.620 1.00 0.00 N ATOM 1358 CA VAL A 98 -6.487 -11.473 1.381 1.00 0.00 C ATOM 1359 C VAL A 98 -7.067 -12.882 1.400 1.00 0.00 C ATOM 1360 O VAL A 98 -7.386 -13.420 2.461 1.00 0.00 O ATOM 1361 CB VAL A 98 -5.363 -11.377 2.430 1.00 0.00 C ATOM 1362 CG1 VAL A 98 -4.316 -12.455 2.190 1.00 0.00 C ATOM 1363 CG2 VAL A 98 -4.730 -9.994 2.408 1.00 0.00 C ATOM 0 H VAL A 98 -7.632 -10.208 2.598 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.071 -11.269 0.394 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.796 -11.537 3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.530 -12.372 2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.783 -13.438 2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.885 -12.329 1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.938 -9.944 3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.310 -9.802 1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.488 -9.243 2.632 1.00 0.00 H new ATOM 1373 N LYS A 99 -7.201 -13.477 0.220 1.00 0.00 N ATOM 1374 CA LYS A 99 -7.741 -14.826 0.100 1.00 0.00 C ATOM 1375 C LYS A 99 -6.625 -15.865 0.138 1.00 0.00 C ATOM 1376 O LYS A 99 -5.444 -15.524 0.061 1.00 0.00 O ATOM 1377 CB LYS A 99 -8.537 -14.965 -1.200 1.00 0.00 C ATOM 1378 CG LYS A 99 -9.604 -13.899 -1.377 1.00 0.00 C ATOM 1379 CD LYS A 99 -10.032 -13.774 -2.830 1.00 0.00 C ATOM 1380 CE LYS A 99 -11.058 -14.835 -3.201 1.00 0.00 C ATOM 1381 NZ LYS A 99 -11.165 -15.010 -4.676 1.00 0.00 N ATOM 0 H LYS A 99 -6.943 -13.046 -0.668 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.405 -15.001 0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.849 -14.922 -2.044 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.009 -15.947 -1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.470 -14.144 -0.762 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.224 -12.940 -1.025 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.452 -12.783 -3.003 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.160 -13.867 -3.477 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.782 -15.784 -2.742 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.031 -14.557 -2.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.874 -15.741 -4.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.453 -14.111 -5.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -10.243 -15.300 -5.059 1.00 0.00 H new