USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 630 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 47 TYR OH : rot 119:sc= 0.399 USER MOD Set 1.2: A 51 LYS NZ :NH3+ 154:sc= 2.22 (180deg=-0.986) USER MOD Single : A 10 TYR OH : rot -8:sc= 0.361 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -160:sc= -0.136 (180deg=-0.712) USER MOD Single : A 25 HIS : no HE2:sc= 0.538 K(o=0.54,f=-3.2!) USER MOD Single : A 31 THR OG1 : rot -127:sc= -1.39 USER MOD Single : A 36 GLN : amide:sc= -1.57 X(o=-1.6,f=-1.8) USER MOD Single : A 40 SER OG : rot 180:sc= -0.35 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0482 USER MOD Single : A 42 GLN : amide:sc= -2.24! C(o=-2.2!,f=-4.5!) USER MOD Single : A 49 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.02) USER MOD Single : A 50 SER OG : rot 80:sc= 1.19 USER MOD Single : A 52 LYS NZ :NH3+ 160:sc= -0.0471 (180deg=-0.455) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -142:sc= -0.087 (180deg=-0.654) USER MOD Single : A 60 LYS NZ :NH3+ -149:sc= 0.115 (180deg=-2.06!) USER MOD Single : A 61 TYR OH : rot 92:sc= 1.26 USER MOD Single : A 62 LYS NZ :NH3+ 135:sc= -1.24 (180deg=-2.3!) USER MOD Single : A 63 HIS : no HD1:sc= -0.0292 X(o=-0.029,f=-0.41) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -2 K(o=-2,f=-4.8!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= -2.4 (180deg=-2.4) USER MOD Single : A 75 THR OG1 : rot -37:sc= 1.14 USER MOD Single : A 79 LYS NZ :NH3+ -160:sc= -0.0506 (180deg=-0.536) USER MOD Single : A 80 LYS NZ :NH3+ -156:sc= -0.251 (180deg=-0.666) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 109 N ASP A 7 -8.171 2.221 13.907 1.00 1.00 N ATOM 110 CA ASP A 7 -8.113 0.881 13.301 1.00 1.00 C ATOM 111 C ASP A 7 -7.068 0.857 12.174 1.00 1.00 C ATOM 112 O ASP A 7 -5.868 0.951 12.433 1.00 1.00 O ATOM 113 CB ASP A 7 -9.511 0.498 12.770 1.00 1.00 C ATOM 114 CG ASP A 7 -9.493 -0.910 12.169 1.00 1.00 C ATOM 115 OD1 ASP A 7 -8.659 -1.699 12.581 1.00 1.00 O ATOM 116 OD2 ASP A 7 -10.307 -1.174 11.299 1.00 1.00 O ATOM 0 HA ASP A 7 -7.814 0.151 14.053 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -10.239 0.544 13.580 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -9.829 1.217 12.015 1.00 1.00 H new ATOM 121 N GLY A 8 -7.527 0.722 10.929 1.00 1.00 N ATOM 122 CA GLY A 8 -6.638 0.672 9.765 1.00 1.00 C ATOM 123 C GLY A 8 -7.324 -0.088 8.646 1.00 1.00 C ATOM 124 O GLY A 8 -8.546 -0.242 8.651 1.00 1.00 O ATOM 0 H GLY A 8 -8.518 0.645 10.699 1.00 1.00 H new ATOM 0 HA2 GLY A 8 -6.391 1.682 9.437 1.00 1.00 H new ATOM 0 HA3 GLY A 8 -5.700 0.185 10.030 1.00 1.00 H new ATOM 128 N VAL A 9 -6.527 -0.582 7.698 1.00 1.00 N ATOM 129 CA VAL A 9 -7.041 -1.365 6.560 1.00 1.00 C ATOM 130 C VAL A 9 -6.234 -2.662 6.449 1.00 1.00 C ATOM 131 O VAL A 9 -5.004 -2.636 6.456 1.00 1.00 O ATOM 132 CB VAL A 9 -6.930 -0.533 5.254 1.00 1.00 C ATOM 133 CG1 VAL A 9 -7.968 0.600 5.269 1.00 1.00 C ATOM 134 CG2 VAL A 9 -5.519 0.081 5.128 1.00 1.00 C ATOM 0 H VAL A 9 -5.515 -0.456 7.691 1.00 1.00 H new ATOM 0 HA VAL A 9 -8.092 -1.609 6.717 1.00 1.00 H new ATOM 0 HB VAL A 9 -7.114 -1.193 4.406 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -7.886 1.181 4.350 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -8.969 0.175 5.342 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -7.786 1.249 6.126 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -5.456 0.662 4.208 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -5.328 0.732 5.981 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -4.776 -0.716 5.106 1.00 1.00 H new ATOM 144 N TYR A 10 -6.926 -3.811 6.407 1.00 1.00 N ATOM 145 CA TYR A 10 -6.252 -5.114 6.350 1.00 1.00 C ATOM 146 C TYR A 10 -6.043 -5.537 4.881 1.00 1.00 C ATOM 147 O TYR A 10 -6.988 -5.568 4.093 1.00 1.00 O ATOM 148 CB TYR A 10 -7.134 -6.190 7.086 1.00 1.00 C ATOM 149 CG TYR A 10 -7.936 -5.563 8.247 1.00 1.00 C ATOM 150 CD1 TYR A 10 -7.325 -4.652 9.118 1.00 1.00 C ATOM 151 CD2 TYR A 10 -9.277 -5.916 8.438 1.00 1.00 C ATOM 152 CE1 TYR A 10 -8.052 -4.096 10.175 1.00 1.00 C ATOM 153 CE2 TYR A 10 -10.006 -5.360 9.496 1.00 1.00 C ATOM 154 CZ TYR A 10 -9.395 -4.449 10.366 1.00 1.00 C ATOM 155 OH TYR A 10 -10.111 -3.904 11.411 1.00 1.00 O ATOM 0 H TYR A 10 -7.945 -3.863 6.411 1.00 1.00 H new ATOM 0 HA TYR A 10 -5.281 -5.037 6.839 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -7.820 -6.649 6.374 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -6.495 -6.985 7.471 1.00 1.00 H new ATOM 0 HD1 TYR A 10 -6.290 -4.379 8.973 1.00 1.00 H new ATOM 0 HD2 TYR A 10 -9.750 -6.619 7.768 1.00 1.00 H new ATOM 0 HE1 TYR A 10 -7.578 -3.394 10.845 1.00 1.00 H new ATOM 0 HE2 TYR A 10 -11.041 -5.634 9.641 1.00 1.00 H new ATOM 0 HH TYR A 10 -9.507 -3.397 11.993 1.00 1.00 H new ATOM 165 N VAL A 11 -4.798 -5.885 4.540 1.00 1.00 N ATOM 166 CA VAL A 11 -4.470 -6.337 3.179 1.00 1.00 C ATOM 167 C VAL A 11 -4.968 -7.775 3.050 1.00 1.00 C ATOM 168 O VAL A 11 -4.772 -8.579 3.961 1.00 1.00 O ATOM 169 CB VAL A 11 -2.953 -6.235 2.925 1.00 1.00 C ATOM 170 CG1 VAL A 11 -2.619 -6.706 1.494 1.00 1.00 C ATOM 171 CG2 VAL A 11 -2.516 -4.768 3.095 1.00 1.00 C ATOM 0 H VAL A 11 -4.004 -5.864 5.180 1.00 1.00 H new ATOM 0 HA VAL A 11 -4.952 -5.708 2.431 1.00 1.00 H new ATOM 0 HB VAL A 11 -2.425 -6.869 3.637 1.00 1.00 H new ATOM 0 HG11 VAL A 11 -1.545 -6.629 1.327 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -2.932 -7.743 1.370 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -3.144 -6.079 0.773 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -1.444 -4.685 2.917 1.00 1.00 H new ATOM 0 HG22 VAL A 11 -3.052 -4.144 2.380 1.00 1.00 H new ATOM 0 HG23 VAL A 11 -2.743 -4.436 4.108 1.00 1.00 H new ATOM 181 N LEU A 12 -5.628 -8.102 1.929 1.00 1.00 N ATOM 182 CA LEU A 12 -6.169 -9.459 1.719 1.00 1.00 C ATOM 183 C LEU A 12 -5.048 -10.414 1.292 1.00 1.00 C ATOM 184 O LEU A 12 -4.869 -11.484 1.872 1.00 1.00 O ATOM 185 CB LEU A 12 -7.292 -9.393 0.631 1.00 1.00 C ATOM 186 CG LEU A 12 -8.356 -10.510 0.813 1.00 1.00 C ATOM 187 CD1 LEU A 12 -9.428 -10.381 -0.289 1.00 1.00 C ATOM 188 CD2 LEU A 12 -7.706 -11.912 0.759 1.00 1.00 C ATOM 0 H LEU A 12 -5.800 -7.455 1.159 1.00 1.00 H new ATOM 0 HA LEU A 12 -6.594 -9.838 2.649 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -7.780 -8.419 0.674 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -6.842 -9.481 -0.358 1.00 1.00 H new ATOM 0 HG LEU A 12 -8.820 -10.392 1.792 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -10.176 -11.164 -0.163 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -9.909 -9.405 -0.217 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -8.958 -10.482 -1.267 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -8.474 -12.674 0.889 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -7.218 -12.050 -0.206 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -6.967 -12.001 1.555 1.00 1.00 H new ATOM 200 N SER A 13 -4.286 -10.012 0.269 1.00 1.00 N ATOM 201 CA SER A 13 -3.185 -10.835 -0.239 1.00 1.00 C ATOM 202 C SER A 13 -2.160 -9.981 -0.977 1.00 1.00 C ATOM 203 O SER A 13 -2.487 -8.925 -1.522 1.00 1.00 O ATOM 204 CB SER A 13 -3.738 -11.890 -1.203 1.00 1.00 C ATOM 205 OG SER A 13 -4.286 -11.238 -2.343 1.00 1.00 O ATOM 0 H SER A 13 -4.411 -9.126 -0.221 1.00 1.00 H new ATOM 0 HA SER A 13 -2.698 -11.315 0.610 1.00 1.00 H new ATOM 0 HB2 SER A 13 -2.946 -12.574 -1.506 1.00 1.00 H new ATOM 0 HB3 SER A 13 -4.503 -12.488 -0.708 1.00 1.00 H new ATOM 0 HG SER A 13 -4.640 -11.908 -2.964 1.00 1.00 H new ATOM 211 N VAL A 14 -0.915 -10.464 -0.991 1.00 1.00 N ATOM 212 CA VAL A 14 0.208 -9.783 -1.660 1.00 1.00 C ATOM 213 C VAL A 14 0.642 -10.611 -2.869 1.00 1.00 C ATOM 214 O VAL A 14 0.780 -11.832 -2.785 1.00 1.00 O ATOM 215 CB VAL A 14 1.388 -9.627 -0.676 1.00 1.00 C ATOM 216 CG1 VAL A 14 2.573 -8.898 -1.350 1.00 1.00 C ATOM 217 CG2 VAL A 14 0.922 -8.814 0.543 1.00 1.00 C ATOM 0 H VAL A 14 -0.652 -11.340 -0.539 1.00 1.00 H new ATOM 0 HA VAL A 14 -0.106 -8.792 -1.989 1.00 1.00 H new ATOM 0 HB VAL A 14 1.719 -10.618 -0.367 1.00 1.00 H new ATOM 0 HG11 VAL A 14 3.392 -8.800 -0.638 1.00 1.00 H new ATOM 0 HG12 VAL A 14 2.910 -9.472 -2.213 1.00 1.00 H new ATOM 0 HG13 VAL A 14 2.254 -7.908 -1.675 1.00 1.00 H new ATOM 0 HG21 VAL A 14 1.750 -8.700 1.242 1.00 1.00 H new ATOM 0 HG22 VAL A 14 0.584 -7.830 0.217 1.00 1.00 H new ATOM 0 HG23 VAL A 14 0.101 -9.335 1.035 1.00 1.00 H new ATOM 227 N LYS A 15 0.884 -9.925 -3.985 1.00 1.00 N ATOM 228 CA LYS A 15 1.343 -10.581 -5.226 1.00 1.00 C ATOM 229 C LYS A 15 2.869 -10.474 -5.307 1.00 1.00 C ATOM 230 O LYS A 15 3.416 -9.376 -5.257 1.00 1.00 O ATOM 231 CB LYS A 15 0.691 -9.888 -6.434 1.00 1.00 C ATOM 232 CG LYS A 15 -0.834 -10.075 -6.362 1.00 1.00 C ATOM 233 CD LYS A 15 -1.516 -9.385 -7.550 1.00 1.00 C ATOM 234 CE LYS A 15 -3.037 -9.555 -7.433 1.00 1.00 C ATOM 235 NZ LYS A 15 -3.374 -11.008 -7.388 1.00 1.00 N ATOM 0 H LYS A 15 0.772 -8.914 -4.063 1.00 1.00 H new ATOM 0 HA LYS A 15 1.058 -11.633 -5.228 1.00 1.00 H new ATOM 0 HB2 LYS A 15 0.939 -8.827 -6.437 1.00 1.00 H new ATOM 0 HB3 LYS A 15 1.078 -10.309 -7.362 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -1.077 -11.138 -6.363 1.00 1.00 H new ATOM 0 HG3 LYS A 15 -1.213 -9.662 -5.427 1.00 1.00 H new ATOM 0 HD2 LYS A 15 -1.257 -8.326 -7.567 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -1.162 -9.815 -8.487 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -3.401 -9.059 -6.533 1.00 1.00 H new ATOM 0 HE3 LYS A 15 -3.533 -9.082 -8.281 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 -4.372 -11.141 -7.647 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 -2.770 -11.525 -8.058 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 -3.215 -11.372 -6.427 1.00 1.00 H new ATOM 249 N GLU A 16 3.564 -11.624 -5.388 1.00 1.00 N ATOM 250 CA GLU A 16 5.036 -11.646 -5.432 1.00 1.00 C ATOM 251 C GLU A 16 5.557 -11.471 -6.868 1.00 1.00 C ATOM 252 O GLU A 16 6.213 -12.361 -7.416 1.00 1.00 O ATOM 253 CB GLU A 16 5.554 -12.989 -4.832 1.00 1.00 C ATOM 254 CG GLU A 16 4.817 -14.213 -5.468 1.00 1.00 C ATOM 255 CD GLU A 16 3.535 -14.561 -4.691 1.00 1.00 C ATOM 256 OE1 GLU A 16 2.966 -13.669 -4.083 1.00 1.00 O ATOM 257 OE2 GLU A 16 3.157 -15.720 -4.691 1.00 1.00 O ATOM 0 H GLU A 16 3.130 -12.547 -5.424 1.00 1.00 H new ATOM 0 HA GLU A 16 5.410 -10.811 -4.840 1.00 1.00 H new ATOM 0 HB2 GLU A 16 6.627 -13.077 -5.004 1.00 1.00 H new ATOM 0 HB3 GLU A 16 5.403 -12.991 -3.753 1.00 1.00 H new ATOM 0 HG2 GLU A 16 4.567 -13.990 -6.505 1.00 1.00 H new ATOM 0 HG3 GLU A 16 5.483 -15.076 -5.479 1.00 1.00 H new ATOM 264 N ASP A 17 5.272 -10.310 -7.467 1.00 1.00 N ATOM 265 CA ASP A 17 5.721 -10.007 -8.834 1.00 1.00 C ATOM 266 C ASP A 17 5.612 -8.498 -9.088 1.00 1.00 C ATOM 267 O ASP A 17 5.408 -8.052 -10.217 1.00 1.00 O ATOM 268 CB ASP A 17 4.852 -10.780 -9.846 1.00 1.00 C ATOM 269 CG ASP A 17 5.378 -10.574 -11.267 1.00 1.00 C ATOM 270 OD1 ASP A 17 6.573 -10.730 -11.460 1.00 1.00 O ATOM 271 OD2 ASP A 17 4.587 -10.232 -12.129 1.00 1.00 O ATOM 0 H ASP A 17 4.733 -9.564 -7.028 1.00 1.00 H new ATOM 0 HA ASP A 17 6.761 -10.312 -8.953 1.00 1.00 H new ATOM 0 HB2 ASP A 17 4.855 -11.842 -9.601 1.00 1.00 H new ATOM 0 HB3 ASP A 17 3.818 -10.441 -9.781 1.00 1.00 H new ATOM 276 N VAL A 18 5.710 -7.715 -8.008 1.00 1.00 N ATOM 277 CA VAL A 18 5.580 -6.243 -8.065 1.00 1.00 C ATOM 278 C VAL A 18 6.560 -5.616 -7.050 1.00 1.00 C ATOM 279 O VAL A 18 6.991 -6.300 -6.123 1.00 1.00 O ATOM 280 CB VAL A 18 4.102 -5.867 -7.684 1.00 1.00 C ATOM 281 CG1 VAL A 18 3.200 -5.855 -8.936 1.00 1.00 C ATOM 282 CG2 VAL A 18 3.553 -6.898 -6.653 1.00 1.00 C ATOM 0 H VAL A 18 5.881 -8.076 -7.070 1.00 1.00 H new ATOM 0 HA VAL A 18 5.811 -5.871 -9.063 1.00 1.00 H new ATOM 0 HB VAL A 18 4.098 -4.869 -7.246 1.00 1.00 H new ATOM 0 HG11 VAL A 18 2.182 -5.592 -8.648 1.00 1.00 H new ATOM 0 HG12 VAL A 18 3.577 -5.121 -9.649 1.00 1.00 H new ATOM 0 HG13 VAL A 18 3.204 -6.843 -9.396 1.00 1.00 H new ATOM 0 HG21 VAL A 18 2.528 -6.638 -6.389 1.00 1.00 H new ATOM 0 HG22 VAL A 18 3.572 -7.896 -7.091 1.00 1.00 H new ATOM 0 HG23 VAL A 18 4.174 -6.883 -5.757 1.00 1.00 H new ATOM 292 N PRO A 19 6.912 -4.344 -7.175 1.00 1.00 N ATOM 293 CA PRO A 19 7.845 -3.694 -6.200 1.00 1.00 C ATOM 294 C PRO A 19 7.373 -3.848 -4.741 1.00 1.00 C ATOM 295 O PRO A 19 8.189 -3.831 -3.825 1.00 1.00 O ATOM 296 CB PRO A 19 7.910 -2.206 -6.670 1.00 1.00 C ATOM 297 CG PRO A 19 6.705 -2.023 -7.555 1.00 1.00 C ATOM 298 CD PRO A 19 6.507 -3.389 -8.234 1.00 1.00 C ATOM 0 HA PRO A 19 8.831 -4.159 -6.194 1.00 1.00 H new ATOM 0 HB2 PRO A 19 7.884 -1.523 -5.821 1.00 1.00 H new ATOM 0 HB3 PRO A 19 8.833 -2.004 -7.213 1.00 1.00 H new ATOM 0 HG2 PRO A 19 5.827 -1.738 -6.975 1.00 1.00 H new ATOM 0 HG3 PRO A 19 6.870 -1.236 -8.290 1.00 1.00 H new ATOM 0 HD2 PRO A 19 5.473 -3.541 -8.542 1.00 1.00 H new ATOM 0 HD3 PRO A 19 7.124 -3.490 -9.127 1.00 1.00 H new ATOM 306 N ALA A 20 6.066 -4.015 -4.530 1.00 1.00 N ATOM 307 CA ALA A 20 5.529 -4.187 -3.170 1.00 1.00 C ATOM 308 C ALA A 20 5.949 -5.534 -2.583 1.00 1.00 C ATOM 309 O ALA A 20 5.794 -5.774 -1.386 1.00 1.00 O ATOM 310 CB ALA A 20 3.999 -4.098 -3.196 1.00 1.00 C ATOM 0 H ALA A 20 5.364 -4.035 -5.270 1.00 1.00 H new ATOM 0 HA ALA A 20 5.933 -3.392 -2.543 1.00 1.00 H new ATOM 0 HB1 ALA A 20 3.610 -4.226 -2.186 1.00 1.00 H new ATOM 0 HB2 ALA A 20 3.698 -3.123 -3.580 1.00 1.00 H new ATOM 0 HB3 ALA A 20 3.600 -4.881 -3.841 1.00 1.00 H new ATOM 316 N ALA A 21 6.466 -6.411 -3.437 1.00 1.00 N ATOM 317 CA ALA A 21 6.896 -7.739 -3.021 1.00 1.00 C ATOM 318 C ALA A 21 8.186 -7.687 -2.204 1.00 1.00 C ATOM 319 O ALA A 21 9.144 -7.010 -2.575 1.00 1.00 O ATOM 320 CB ALA A 21 7.133 -8.588 -4.276 1.00 1.00 C ATOM 0 H ALA A 21 6.598 -6.222 -4.431 1.00 1.00 H new ATOM 0 HA ALA A 21 6.118 -8.172 -2.392 1.00 1.00 H new ATOM 0 HB1 ALA A 21 7.456 -9.587 -3.984 1.00 1.00 H new ATOM 0 HB2 ALA A 21 6.208 -8.659 -4.848 1.00 1.00 H new ATOM 0 HB3 ALA A 21 7.904 -8.123 -4.890 1.00 1.00 H new ATOM 326 N GLY A 22 8.208 -8.437 -1.101 1.00 1.00 N ATOM 327 CA GLY A 22 9.389 -8.515 -0.233 1.00 1.00 C ATOM 328 C GLY A 22 9.423 -7.383 0.785 1.00 1.00 C ATOM 329 O GLY A 22 10.317 -7.343 1.632 1.00 1.00 O ATOM 0 H GLY A 22 7.420 -9.002 -0.785 1.00 1.00 H new ATOM 0 HA2 GLY A 22 9.393 -9.472 0.289 1.00 1.00 H new ATOM 0 HA3 GLY A 22 10.291 -8.481 -0.844 1.00 1.00 H new ATOM 333 N ILE A 23 8.459 -6.452 0.695 1.00 1.00 N ATOM 334 CA ILE A 23 8.384 -5.291 1.607 1.00 1.00 C ATOM 335 C ILE A 23 7.140 -5.406 2.501 1.00 1.00 C ATOM 336 O ILE A 23 7.227 -5.268 3.720 1.00 1.00 O ATOM 337 CB ILE A 23 8.304 -3.998 0.753 1.00 1.00 C ATOM 338 CG1 ILE A 23 9.518 -3.941 -0.218 1.00 1.00 C ATOM 339 CG2 ILE A 23 8.314 -2.756 1.669 1.00 1.00 C ATOM 340 CD1 ILE A 23 9.394 -2.753 -1.191 1.00 1.00 C ATOM 0 H ILE A 23 7.716 -6.479 -0.003 1.00 1.00 H new ATOM 0 HA ILE A 23 9.267 -5.262 2.245 1.00 1.00 H new ATOM 0 HB ILE A 23 7.378 -4.007 0.179 1.00 1.00 H new ATOM 0 HG12 ILE A 23 10.441 -3.852 0.354 1.00 1.00 H new ATOM 0 HG13 ILE A 23 9.581 -4.872 -0.782 1.00 1.00 H new ATOM 0 HG21 ILE A 23 8.258 -1.854 1.060 1.00 1.00 H new ATOM 0 HG22 ILE A 23 7.457 -2.793 2.342 1.00 1.00 H new ATOM 0 HG23 ILE A 23 9.234 -2.742 2.253 1.00 1.00 H new ATOM 0 HD11 ILE A 23 10.256 -2.737 -1.858 1.00 1.00 H new ATOM 0 HD12 ILE A 23 8.482 -2.858 -1.779 1.00 1.00 H new ATOM 0 HD13 ILE A 23 9.356 -1.822 -0.625 1.00 1.00 H new ATOM 352 N LEU A 24 5.983 -5.647 1.865 1.00 1.00 N ATOM 353 CA LEU A 24 4.685 -5.773 2.565 1.00 1.00 C ATOM 354 C LEU A 24 4.254 -7.244 2.609 1.00 1.00 C ATOM 355 O LEU A 24 4.596 -8.030 1.725 1.00 1.00 O ATOM 356 CB LEU A 24 3.621 -4.914 1.809 1.00 1.00 C ATOM 357 CG LEU A 24 3.804 -3.379 2.096 1.00 1.00 C ATOM 358 CD1 LEU A 24 3.157 -2.540 0.968 1.00 1.00 C ATOM 359 CD2 LEU A 24 3.137 -2.986 3.442 1.00 1.00 C ATOM 0 H LEU A 24 5.916 -5.761 0.854 1.00 1.00 H new ATOM 0 HA LEU A 24 4.779 -5.415 3.590 1.00 1.00 H new ATOM 0 HB2 LEU A 24 3.701 -5.096 0.737 1.00 1.00 H new ATOM 0 HB3 LEU A 24 2.621 -5.224 2.111 1.00 1.00 H new ATOM 0 HG LEU A 24 4.874 -3.178 2.145 1.00 1.00 H new ATOM 0 HD11 LEU A 24 3.292 -1.479 1.180 1.00 1.00 H new ATOM 0 HD12 LEU A 24 3.631 -2.783 0.017 1.00 1.00 H new ATOM 0 HD13 LEU A 24 2.092 -2.766 0.911 1.00 1.00 H new ATOM 0 HD21 LEU A 24 3.276 -1.920 3.619 1.00 1.00 H new ATOM 0 HD22 LEU A 24 2.071 -3.210 3.399 1.00 1.00 H new ATOM 0 HD23 LEU A 24 3.594 -3.552 4.254 1.00 1.00 H new ATOM 371 N HIS A 25 3.503 -7.603 3.665 1.00 1.00 N ATOM 372 CA HIS A 25 3.007 -8.981 3.871 1.00 1.00 C ATOM 373 C HIS A 25 1.495 -8.971 4.111 1.00 1.00 C ATOM 374 O HIS A 25 0.970 -8.094 4.783 1.00 1.00 O ATOM 375 CB HIS A 25 3.709 -9.600 5.100 1.00 1.00 C ATOM 376 CG HIS A 25 3.338 -11.056 5.235 1.00 1.00 C ATOM 377 ND1 HIS A 25 2.165 -11.472 5.842 1.00 1.00 N ATOM 378 CD2 HIS A 25 3.966 -12.202 4.808 1.00 1.00 C ATOM 379 CE1 HIS A 25 2.125 -12.813 5.765 1.00 1.00 C ATOM 380 NE2 HIS A 25 3.196 -13.314 5.146 1.00 1.00 N ATOM 0 H HIS A 25 3.222 -6.952 4.398 1.00 1.00 H new ATOM 0 HA HIS A 25 3.224 -9.570 2.980 1.00 1.00 H new ATOM 0 HB2 HIS A 25 4.790 -9.501 4.999 1.00 1.00 H new ATOM 0 HB3 HIS A 25 3.422 -9.059 6.002 1.00 1.00 H new ATOM 0 HD1 HIS A 25 1.460 -10.871 6.269 1.00 1.00 H new ATOM 0 HD2 HIS A 25 4.913 -12.236 4.289 1.00 1.00 H new ATOM 0 HE1 HIS A 25 1.320 -13.415 6.158 1.00 1.00 H new ATOM 389 N ALA A 26 0.798 -9.946 3.539 1.00 1.00 N ATOM 390 CA ALA A 26 -0.659 -10.039 3.685 1.00 1.00 C ATOM 391 C ALA A 26 -1.083 -9.935 5.157 1.00 1.00 C ATOM 392 O ALA A 26 -0.424 -10.476 6.044 1.00 1.00 O ATOM 393 CB ALA A 26 -1.140 -11.377 3.106 1.00 1.00 C ATOM 0 H ALA A 26 1.212 -10.684 2.970 1.00 1.00 H new ATOM 0 HA ALA A 26 -1.112 -9.208 3.144 1.00 1.00 H new ATOM 0 HB1 ALA A 26 -2.222 -11.451 3.212 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -0.874 -11.433 2.050 1.00 1.00 H new ATOM 0 HB3 ALA A 26 -0.666 -12.198 3.644 1.00 1.00 H new ATOM 399 N GLY A 27 -2.190 -9.229 5.400 1.00 1.00 N ATOM 400 CA GLY A 27 -2.719 -9.038 6.759 1.00 1.00 C ATOM 401 C GLY A 27 -2.072 -7.831 7.437 1.00 1.00 C ATOM 402 O GLY A 27 -2.491 -7.425 8.522 1.00 1.00 O ATOM 0 H GLY A 27 -2.742 -8.777 4.671 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -3.799 -8.899 6.716 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -2.536 -9.934 7.353 1.00 1.00 H new ATOM 406 N ASP A 28 -1.063 -7.249 6.788 1.00 1.00 N ATOM 407 CA ASP A 28 -0.384 -6.073 7.338 1.00 1.00 C ATOM 408 C ASP A 28 -1.355 -4.891 7.400 1.00 1.00 C ATOM 409 O ASP A 28 -2.069 -4.615 6.438 1.00 1.00 O ATOM 410 CB ASP A 28 0.833 -5.711 6.462 1.00 1.00 C ATOM 411 CG ASP A 28 1.523 -4.451 6.981 1.00 1.00 C ATOM 412 OD1 ASP A 28 1.459 -4.213 8.176 1.00 1.00 O ATOM 413 OD2 ASP A 28 2.090 -3.738 6.171 1.00 1.00 O ATOM 0 H ASP A 28 -0.700 -7.568 5.890 1.00 1.00 H new ATOM 0 HA ASP A 28 -0.039 -6.301 8.347 1.00 1.00 H new ATOM 0 HB2 ASP A 28 1.540 -6.541 6.454 1.00 1.00 H new ATOM 0 HB3 ASP A 28 0.512 -5.556 5.432 1.00 1.00 H new ATOM 418 N LEU A 29 -1.365 -4.188 8.541 1.00 1.00 N ATOM 419 CA LEU A 29 -2.234 -3.020 8.737 1.00 1.00 C ATOM 420 C LEU A 29 -1.443 -1.758 8.417 1.00 1.00 C ATOM 421 O LEU A 29 -0.296 -1.617 8.840 1.00 1.00 O ATOM 422 CB LEU A 29 -2.746 -2.944 10.200 1.00 1.00 C ATOM 423 CG LEU A 29 -3.541 -4.243 10.598 1.00 1.00 C ATOM 424 CD1 LEU A 29 -2.610 -5.338 11.174 1.00 1.00 C ATOM 425 CD2 LEU A 29 -4.610 -3.910 11.662 1.00 1.00 C ATOM 0 H LEU A 29 -0.778 -4.410 9.345 1.00 1.00 H new ATOM 0 HA LEU A 29 -3.096 -3.111 8.076 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -1.902 -2.811 10.876 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -3.389 -2.072 10.317 1.00 1.00 H new ATOM 0 HG LEU A 29 -4.008 -4.619 9.688 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -3.200 -6.217 11.435 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -1.864 -5.611 10.428 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -2.110 -4.959 12.065 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -5.153 -4.817 11.929 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -4.126 -3.503 12.549 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -5.307 -3.175 11.260 1.00 1.00 H new ATOM 437 N ILE A 30 -2.057 -0.835 7.673 1.00 1.00 N ATOM 438 CA ILE A 30 -1.404 0.421 7.307 1.00 1.00 C ATOM 439 C ILE A 30 -1.768 1.490 8.340 1.00 1.00 C ATOM 440 O ILE A 30 -2.939 1.671 8.676 1.00 1.00 O ATOM 441 CB ILE A 30 -1.868 0.863 5.906 1.00 1.00 C ATOM 442 CG1 ILE A 30 -1.706 -0.302 4.889 1.00 1.00 C ATOM 443 CG2 ILE A 30 -1.066 2.097 5.446 1.00 1.00 C ATOM 444 CD1 ILE A 30 -0.261 -0.817 4.787 1.00 1.00 C ATOM 0 H ILE A 30 -3.006 -0.935 7.313 1.00 1.00 H new ATOM 0 HA ILE A 30 -0.323 0.282 7.290 1.00 1.00 H new ATOM 0 HB ILE A 30 -2.923 1.132 5.955 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -2.359 -1.125 5.181 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -2.036 0.033 3.906 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -1.402 2.401 4.455 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -1.223 2.915 6.149 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -0.005 1.849 5.409 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -0.215 -1.629 4.061 1.00 1.00 H new ATOM 0 HD12 ILE A 30 0.393 -0.006 4.466 1.00 1.00 H new ATOM 0 HD13 ILE A 30 0.065 -1.182 5.761 1.00 1.00 H new ATOM 456 N THR A 31 -0.752 2.189 8.833 1.00 1.00 N ATOM 457 CA THR A 31 -0.933 3.249 9.829 1.00 1.00 C ATOM 458 C THR A 31 -1.250 4.576 9.136 1.00 1.00 C ATOM 459 O THR A 31 -2.251 5.221 9.451 1.00 1.00 O ATOM 460 CB THR A 31 0.356 3.385 10.662 1.00 1.00 C ATOM 461 OG1 THR A 31 1.451 3.623 9.795 1.00 1.00 O ATOM 462 CG2 THR A 31 0.610 2.094 11.455 1.00 1.00 C ATOM 0 H THR A 31 0.219 2.041 8.557 1.00 1.00 H new ATOM 0 HA THR A 31 -1.766 2.992 10.484 1.00 1.00 H new ATOM 0 HB THR A 31 0.245 4.217 11.358 1.00 1.00 H new ATOM 0 HG1 THR A 31 2.160 2.971 9.977 1.00 1.00 H new ATOM 0 HG21 THR A 31 1.523 2.200 12.040 1.00 1.00 H new ATOM 0 HG22 THR A 31 -0.230 1.907 12.124 1.00 1.00 H new ATOM 0 HG23 THR A 31 0.717 1.258 10.764 1.00 1.00 H new ATOM 470 N GLU A 32 -0.387 4.991 8.198 1.00 1.00 N ATOM 471 CA GLU A 32 -0.584 6.260 7.477 1.00 1.00 C ATOM 472 C GLU A 32 0.109 6.226 6.106 1.00 1.00 C ATOM 473 O GLU A 32 1.011 5.425 5.876 1.00 1.00 O ATOM 474 CB GLU A 32 -0.026 7.399 8.355 1.00 1.00 C ATOM 475 CG GLU A 32 -0.325 8.782 7.736 1.00 1.00 C ATOM 476 CD GLU A 32 0.058 9.909 8.705 1.00 1.00 C ATOM 477 OE1 GLU A 32 0.804 9.651 9.635 1.00 1.00 O ATOM 478 OE2 GLU A 32 -0.415 11.015 8.501 1.00 1.00 O ATOM 0 H GLU A 32 0.447 4.473 7.921 1.00 1.00 H new ATOM 0 HA GLU A 32 -1.645 6.423 7.290 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -0.465 7.341 9.351 1.00 1.00 H new ATOM 0 HB3 GLU A 32 1.051 7.276 8.473 1.00 1.00 H new ATOM 0 HG2 GLU A 32 0.228 8.895 6.803 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -1.384 8.853 7.489 1.00 1.00 H new ATOM 485 N ILE A 33 -0.316 7.115 5.193 1.00 1.00 N ATOM 486 CA ILE A 33 0.275 7.210 3.842 1.00 1.00 C ATOM 487 C ILE A 33 0.310 8.679 3.425 1.00 1.00 C ATOM 488 O ILE A 33 -0.604 9.436 3.750 1.00 1.00 O ATOM 489 CB ILE A 33 -0.531 6.350 2.830 1.00 1.00 C ATOM 490 CG1 ILE A 33 0.177 6.326 1.445 1.00 1.00 C ATOM 491 CG2 ILE A 33 -1.961 6.902 2.663 1.00 1.00 C ATOM 492 CD1 ILE A 33 -0.454 5.263 0.536 1.00 1.00 C ATOM 0 H ILE A 33 -1.069 7.781 5.364 1.00 1.00 H new ATOM 0 HA ILE A 33 1.293 6.819 3.854 1.00 1.00 H new ATOM 0 HB ILE A 33 -0.584 5.335 3.223 1.00 1.00 H new ATOM 0 HG12 ILE A 33 0.101 7.306 0.975 1.00 1.00 H new ATOM 0 HG13 ILE A 33 1.239 6.117 1.576 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -2.508 6.285 1.950 1.00 1.00 H new ATOM 0 HG22 ILE A 33 -2.472 6.885 3.625 1.00 1.00 H new ATOM 0 HG23 ILE A 33 -1.915 7.927 2.295 1.00 1.00 H new ATOM 0 HD11 ILE A 33 0.054 5.261 -0.428 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -0.355 4.282 1.001 1.00 1.00 H new ATOM 0 HD13 ILE A 33 -1.510 5.490 0.389 1.00 1.00 H new ATOM 504 N ASP A 34 1.354 9.091 2.703 1.00 1.00 N ATOM 505 CA ASP A 34 1.480 10.487 2.252 1.00 1.00 C ATOM 506 C ASP A 34 1.178 11.491 3.376 1.00 1.00 C ATOM 507 O ASP A 34 0.912 12.665 3.120 1.00 1.00 O ATOM 508 CB ASP A 34 0.534 10.732 1.068 1.00 1.00 C ATOM 509 CG ASP A 34 0.806 12.097 0.434 1.00 1.00 C ATOM 510 OD1 ASP A 34 1.901 12.283 -0.073 1.00 1.00 O ATOM 511 OD2 ASP A 34 -0.071 12.944 0.482 1.00 1.00 O ATOM 0 H ASP A 34 2.123 8.485 2.417 1.00 1.00 H new ATOM 0 HA ASP A 34 2.514 10.643 1.945 1.00 1.00 H new ATOM 0 HB2 ASP A 34 0.664 9.947 0.323 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -0.501 10.682 1.406 1.00 1.00 H new ATOM 516 N GLY A 35 1.213 11.017 4.618 1.00 1.00 N ATOM 517 CA GLY A 35 0.939 11.875 5.768 1.00 1.00 C ATOM 518 C GLY A 35 -0.535 12.280 5.816 1.00 1.00 C ATOM 519 O GLY A 35 -0.935 13.092 6.652 1.00 1.00 O ATOM 0 H GLY A 35 1.427 10.048 4.854 1.00 1.00 H new ATOM 0 HA2 GLY A 35 1.206 11.353 6.687 1.00 1.00 H new ATOM 0 HA3 GLY A 35 1.563 12.767 5.716 1.00 1.00 H new ATOM 523 N GLN A 36 -1.346 11.719 4.902 1.00 1.00 N ATOM 524 CA GLN A 36 -2.791 12.032 4.824 1.00 1.00 C ATOM 525 C GLN A 36 -3.598 10.775 4.468 1.00 1.00 C ATOM 526 O GLN A 36 -3.042 9.777 4.015 1.00 1.00 O ATOM 527 CB GLN A 36 -3.051 13.112 3.753 1.00 1.00 C ATOM 528 CG GLN A 36 -2.242 14.394 4.029 1.00 1.00 C ATOM 529 CD GLN A 36 -2.604 14.987 5.388 1.00 1.00 C ATOM 530 OE1 GLN A 36 -1.738 15.498 6.099 1.00 1.00 O ATOM 531 NE2 GLN A 36 -3.836 14.936 5.813 1.00 1.00 N ATOM 0 H GLN A 36 -1.029 11.046 4.205 1.00 1.00 H new ATOM 0 HA GLN A 36 -3.106 12.401 5.800 1.00 1.00 H new ATOM 0 HB2 GLN A 36 -2.789 12.721 2.770 1.00 1.00 H new ATOM 0 HB3 GLN A 36 -4.114 13.351 3.728 1.00 1.00 H new ATOM 0 HG2 GLN A 36 -1.176 14.169 3.999 1.00 1.00 H new ATOM 0 HG3 GLN A 36 -2.436 15.126 3.245 1.00 1.00 H new ATOM 0 HE21 GLN A 36 -4.559 14.515 5.230 1.00 1.00 H new ATOM 0 HE22 GLN A 36 -4.076 15.318 6.728 1.00 1.00 H new ATOM 593 N SER A 40 -10.539 6.862 7.934 1.00 1.00 N ATOM 594 CA SER A 40 -11.504 5.816 7.527 1.00 1.00 C ATOM 595 C SER A 40 -10.828 4.810 6.603 1.00 1.00 C ATOM 596 O SER A 40 -9.749 5.069 6.067 1.00 1.00 O ATOM 597 CB SER A 40 -12.697 6.459 6.805 1.00 1.00 C ATOM 598 OG SER A 40 -13.433 5.457 6.110 1.00 1.00 O ATOM 0 HA SER A 40 -11.858 5.298 8.418 1.00 1.00 H new ATOM 0 HB2 SER A 40 -13.341 6.964 7.525 1.00 1.00 H new ATOM 0 HB3 SER A 40 -12.346 7.217 6.105 1.00 1.00 H new ATOM 0 HG SER A 40 -14.195 5.869 5.652 1.00 1.00 H new ATOM 604 N SER A 41 -11.474 3.657 6.417 1.00 1.00 N ATOM 605 CA SER A 41 -10.934 2.608 5.549 1.00 1.00 C ATOM 606 C SER A 41 -11.079 2.996 4.077 1.00 1.00 C ATOM 607 O SER A 41 -10.119 2.932 3.319 1.00 1.00 O ATOM 608 CB SER A 41 -11.676 1.286 5.807 1.00 1.00 C ATOM 609 OG SER A 41 -11.392 0.367 4.757 1.00 1.00 O ATOM 0 H SER A 41 -12.367 3.426 6.853 1.00 1.00 H new ATOM 0 HA SER A 41 -9.875 2.485 5.775 1.00 1.00 H new ATOM 0 HB2 SER A 41 -11.369 0.866 6.765 1.00 1.00 H new ATOM 0 HB3 SER A 41 -12.749 1.465 5.867 1.00 1.00 H new ATOM 0 HG SER A 41 -11.864 -0.476 4.923 1.00 1.00 H new ATOM 615 N GLN A 42 -12.294 3.384 3.683 1.00 1.00 N ATOM 616 CA GLN A 42 -12.576 3.762 2.291 1.00 1.00 C ATOM 617 C GLN A 42 -11.772 5.002 1.881 1.00 1.00 C ATOM 618 O GLN A 42 -11.283 5.085 0.755 1.00 1.00 O ATOM 619 CB GLN A 42 -14.104 4.005 2.123 1.00 1.00 C ATOM 620 CG GLN A 42 -14.553 3.826 0.655 1.00 1.00 C ATOM 621 CD GLN A 42 -13.832 4.813 -0.261 1.00 1.00 C ATOM 622 OE1 GLN A 42 -13.966 6.027 -0.107 1.00 1.00 O ATOM 623 NE2 GLN A 42 -13.065 4.366 -1.216 1.00 1.00 N ATOM 0 H GLN A 42 -13.100 3.446 4.306 1.00 1.00 H new ATOM 0 HA GLN A 42 -12.270 2.948 1.633 1.00 1.00 H new ATOM 0 HB2 GLN A 42 -14.655 3.312 2.759 1.00 1.00 H new ATOM 0 HB3 GLN A 42 -14.352 5.012 2.459 1.00 1.00 H new ATOM 0 HG2 GLN A 42 -14.348 2.806 0.330 1.00 1.00 H new ATOM 0 HG3 GLN A 42 -15.630 3.974 0.580 1.00 1.00 H new ATOM 0 HE21 GLN A 42 -12.949 3.361 -1.349 1.00 1.00 H new ATOM 0 HE22 GLN A 42 -12.581 5.021 -1.830 1.00 1.00 H new ATOM 632 N GLU A 43 -11.642 5.960 2.795 1.00 1.00 N ATOM 633 CA GLU A 43 -10.898 7.190 2.515 1.00 1.00 C ATOM 634 C GLU A 43 -9.471 6.868 2.072 1.00 1.00 C ATOM 635 O GLU A 43 -8.838 7.658 1.374 1.00 1.00 O ATOM 636 CB GLU A 43 -10.901 8.094 3.761 1.00 1.00 C ATOM 637 CG GLU A 43 -10.160 9.420 3.492 1.00 1.00 C ATOM 638 CD GLU A 43 -10.254 10.348 4.709 1.00 1.00 C ATOM 639 OE1 GLU A 43 -10.618 9.878 5.773 1.00 1.00 O ATOM 640 OE2 GLU A 43 -9.952 11.520 4.557 1.00 1.00 O ATOM 0 H GLU A 43 -12.040 5.911 3.733 1.00 1.00 H new ATOM 0 HA GLU A 43 -11.385 7.723 1.698 1.00 1.00 H new ATOM 0 HB2 GLU A 43 -11.928 8.303 4.059 1.00 1.00 H new ATOM 0 HB3 GLU A 43 -10.428 7.572 4.593 1.00 1.00 H new ATOM 0 HG2 GLU A 43 -9.114 9.218 3.262 1.00 1.00 H new ATOM 0 HG3 GLU A 43 -10.589 9.912 2.619 1.00 1.00 H new ATOM 647 N PHE A 44 -8.969 5.698 2.465 1.00 1.00 N ATOM 648 CA PHE A 44 -7.627 5.276 2.081 1.00 1.00 C ATOM 649 C PHE A 44 -7.593 4.899 0.601 1.00 1.00 C ATOM 650 O PHE A 44 -6.701 5.307 -0.132 1.00 1.00 O ATOM 651 CB PHE A 44 -7.221 4.073 2.940 1.00 1.00 C ATOM 652 CG PHE A 44 -5.732 3.782 2.763 1.00 1.00 C ATOM 653 CD1 PHE A 44 -5.298 2.974 1.706 1.00 1.00 C ATOM 654 CD2 PHE A 44 -4.796 4.323 3.652 1.00 1.00 C ATOM 655 CE1 PHE A 44 -3.934 2.707 1.535 1.00 1.00 C ATOM 656 CE2 PHE A 44 -3.431 4.059 3.486 1.00 1.00 C ATOM 657 CZ PHE A 44 -3.000 3.251 2.428 1.00 1.00 C ATOM 0 H PHE A 44 -9.472 5.028 3.048 1.00 1.00 H new ATOM 0 HA PHE A 44 -6.927 6.096 2.241 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -7.438 4.275 3.989 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -7.807 3.199 2.656 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -6.018 2.555 1.019 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -5.128 4.946 4.469 1.00 1.00 H new ATOM 0 HE1 PHE A 44 -3.602 2.084 0.718 1.00 1.00 H new ATOM 0 HE2 PHE A 44 -2.712 4.478 4.174 1.00 1.00 H new ATOM 0 HZ PHE A 44 -1.947 3.046 2.299 1.00 1.00 H new ATOM 667 N ILE A 45 -8.582 4.108 0.173 1.00 1.00 N ATOM 668 CA ILE A 45 -8.659 3.674 -1.227 1.00 1.00 C ATOM 669 C ILE A 45 -8.765 4.912 -2.122 1.00 1.00 C ATOM 670 O ILE A 45 -8.305 4.907 -3.262 1.00 1.00 O ATOM 671 CB ILE A 45 -9.886 2.724 -1.447 1.00 1.00 C ATOM 672 CG1 ILE A 45 -9.584 1.300 -0.893 1.00 1.00 C ATOM 673 CG2 ILE A 45 -10.234 2.591 -2.964 1.00 1.00 C ATOM 674 CD1 ILE A 45 -9.294 1.331 0.614 1.00 1.00 C ATOM 0 H ILE A 45 -9.333 3.758 0.768 1.00 1.00 H new ATOM 0 HA ILE A 45 -7.760 3.114 -1.484 1.00 1.00 H new ATOM 0 HB ILE A 45 -10.730 3.164 -0.915 1.00 1.00 H new ATOM 0 HG12 ILE A 45 -10.434 0.645 -1.087 1.00 1.00 H new ATOM 0 HG13 ILE A 45 -8.729 0.877 -1.420 1.00 1.00 H new ATOM 0 HG21 ILE A 45 -11.089 1.926 -3.084 1.00 1.00 H new ATOM 0 HG22 ILE A 45 -10.479 3.573 -3.369 1.00 1.00 H new ATOM 0 HG23 ILE A 45 -9.377 2.181 -3.499 1.00 1.00 H new ATOM 0 HD11 ILE A 45 -9.088 0.320 0.966 1.00 1.00 H new ATOM 0 HD12 ILE A 45 -8.428 1.965 0.805 1.00 1.00 H new ATOM 0 HD13 ILE A 45 -10.160 1.730 1.143 1.00 1.00 H new ATOM 686 N ASP A 46 -9.393 5.961 -1.598 1.00 1.00 N ATOM 687 CA ASP A 46 -9.569 7.194 -2.376 1.00 1.00 C ATOM 688 C ASP A 46 -8.210 7.824 -2.704 1.00 1.00 C ATOM 689 O ASP A 46 -8.009 8.337 -3.805 1.00 1.00 O ATOM 690 CB ASP A 46 -10.447 8.194 -1.599 1.00 1.00 C ATOM 691 CG ASP A 46 -11.853 7.620 -1.389 1.00 1.00 C ATOM 692 OD1 ASP A 46 -12.235 6.747 -2.149 1.00 1.00 O ATOM 693 OD2 ASP A 46 -12.514 8.060 -0.461 1.00 1.00 O ATOM 0 H ASP A 46 -9.784 5.988 -0.656 1.00 1.00 H new ATOM 0 HA ASP A 46 -10.067 6.943 -3.312 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -9.990 8.416 -0.635 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -10.509 9.135 -2.146 1.00 1.00 H new ATOM 698 N TYR A 47 -7.279 7.760 -1.756 1.00 1.00 N ATOM 699 CA TYR A 47 -5.934 8.302 -1.962 1.00 1.00 C ATOM 700 C TYR A 47 -5.195 7.547 -3.062 1.00 1.00 C ATOM 701 O TYR A 47 -4.467 8.144 -3.854 1.00 1.00 O ATOM 702 CB TYR A 47 -5.108 8.202 -0.650 1.00 1.00 C ATOM 703 CG TYR A 47 -3.619 8.454 -0.948 1.00 1.00 C ATOM 704 CD1 TYR A 47 -3.093 9.750 -0.916 1.00 1.00 C ATOM 705 CD2 TYR A 47 -2.802 7.377 -1.308 1.00 1.00 C ATOM 706 CE1 TYR A 47 -1.751 9.971 -1.242 1.00 1.00 C ATOM 707 CE2 TYR A 47 -1.457 7.593 -1.634 1.00 1.00 C ATOM 708 CZ TYR A 47 -0.934 8.891 -1.601 1.00 1.00 C ATOM 709 OH TYR A 47 0.391 9.105 -1.933 1.00 1.00 O ATOM 0 H TYR A 47 -7.428 7.340 -0.839 1.00 1.00 H new ATOM 0 HA TYR A 47 -6.044 9.345 -2.258 1.00 1.00 H new ATOM 0 HB2 TYR A 47 -5.471 8.930 0.075 1.00 1.00 H new ATOM 0 HB3 TYR A 47 -5.237 7.216 -0.203 1.00 1.00 H new ATOM 0 HD1 TYR A 47 -3.724 10.581 -0.639 1.00 1.00 H new ATOM 0 HD2 TYR A 47 -3.209 6.377 -1.335 1.00 1.00 H new ATOM 0 HE1 TYR A 47 -1.346 10.972 -1.217 1.00 1.00 H new ATOM 0 HE2 TYR A 47 -0.826 6.761 -1.910 1.00 1.00 H new ATOM 0 HH TYR A 47 0.968 8.619 -1.307 1.00 1.00 H new ATOM 719 N ILE A 48 -5.298 6.221 -3.037 1.00 1.00 N ATOM 720 CA ILE A 48 -4.524 5.402 -3.978 1.00 1.00 C ATOM 721 C ILE A 48 -4.814 5.840 -5.413 1.00 1.00 C ATOM 722 O ILE A 48 -3.902 5.948 -6.233 1.00 1.00 O ATOM 723 CB ILE A 48 -4.842 3.887 -3.828 1.00 1.00 C ATOM 724 CG1 ILE A 48 -4.741 3.474 -2.342 1.00 1.00 C ATOM 725 CG2 ILE A 48 -3.803 3.076 -4.646 1.00 1.00 C ATOM 726 CD1 ILE A 48 -5.118 1.997 -2.155 1.00 1.00 C ATOM 0 H ILE A 48 -5.892 5.697 -2.395 1.00 1.00 H new ATOM 0 HA ILE A 48 -3.469 5.550 -3.747 1.00 1.00 H new ATOM 0 HB ILE A 48 -5.851 3.689 -4.191 1.00 1.00 H new ATOM 0 HG12 ILE A 48 -3.726 3.642 -1.982 1.00 1.00 H new ATOM 0 HG13 ILE A 48 -5.400 4.100 -1.741 1.00 1.00 H new ATOM 0 HG21 ILE A 48 -4.015 2.011 -4.549 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -3.862 3.364 -5.696 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -2.801 3.282 -4.269 1.00 1.00 H new ATOM 0 HD11 ILE A 48 -5.039 1.732 -1.101 1.00 1.00 H new ATOM 0 HD12 ILE A 48 -6.142 1.837 -2.493 1.00 1.00 H new ATOM 0 HD13 ILE A 48 -4.441 1.372 -2.738 1.00 1.00 H new ATOM 738 N HIS A 49 -6.088 6.086 -5.710 1.00 1.00 N ATOM 739 CA HIS A 49 -6.478 6.507 -7.054 1.00 1.00 C ATOM 740 C HIS A 49 -6.178 7.995 -7.285 1.00 1.00 C ATOM 741 O HIS A 49 -6.079 8.432 -8.430 1.00 1.00 O ATOM 742 CB HIS A 49 -7.984 6.271 -7.232 1.00 1.00 C ATOM 743 CG HIS A 49 -8.328 4.833 -6.949 1.00 1.00 C ATOM 744 ND1 HIS A 49 -9.643 4.434 -6.771 1.00 1.00 N ATOM 745 CD2 HIS A 49 -7.571 3.691 -6.837 1.00 1.00 C ATOM 746 CE1 HIS A 49 -9.635 3.108 -6.564 1.00 1.00 C ATOM 747 NE2 HIS A 49 -8.402 2.598 -6.593 1.00 1.00 N ATOM 0 H HIS A 49 -6.859 6.003 -5.048 1.00 1.00 H new ATOM 0 HA HIS A 49 -5.905 5.925 -7.775 1.00 1.00 H new ATOM 0 HB2 HIS A 49 -8.542 6.924 -6.561 1.00 1.00 H new ATOM 0 HB3 HIS A 49 -8.281 6.529 -8.248 1.00 1.00 H new ATOM 0 HD2 HIS A 49 -6.495 3.647 -6.925 1.00 1.00 H new ATOM 0 HE1 HIS A 49 -10.525 2.521 -6.393 1.00 1.00 H new ATOM 0 HE2 HIS A 49 -8.128 1.624 -6.465 1.00 1.00 H new ATOM 756 N SER A 50 -6.067 8.785 -6.206 1.00 1.00 N ATOM 757 CA SER A 50 -5.822 10.230 -6.335 1.00 1.00 C ATOM 758 C SER A 50 -4.442 10.533 -6.920 1.00 1.00 C ATOM 759 O SER A 50 -4.185 11.662 -7.344 1.00 1.00 O ATOM 760 CB SER A 50 -5.952 10.899 -4.958 1.00 1.00 C ATOM 761 OG SER A 50 -7.236 10.616 -4.421 1.00 1.00 O ATOM 0 H SER A 50 -6.142 8.453 -5.245 1.00 1.00 H new ATOM 0 HA SER A 50 -6.567 10.629 -7.023 1.00 1.00 H new ATOM 0 HB2 SER A 50 -5.175 10.532 -4.287 1.00 1.00 H new ATOM 0 HB3 SER A 50 -5.812 11.976 -5.049 1.00 1.00 H new ATOM 0 HG SER A 50 -7.239 9.714 -4.038 1.00 1.00 H new ATOM 767 N LYS A 51 -3.558 9.529 -6.944 1.00 1.00 N ATOM 768 CA LYS A 51 -2.193 9.674 -7.483 1.00 1.00 C ATOM 769 C LYS A 51 -2.082 8.855 -8.761 1.00 1.00 C ATOM 770 O LYS A 51 -2.742 7.839 -8.891 1.00 1.00 O ATOM 771 CB LYS A 51 -1.177 9.171 -6.445 1.00 1.00 C ATOM 772 CG LYS A 51 -1.326 9.933 -5.105 1.00 1.00 C ATOM 773 CD LYS A 51 -0.987 11.437 -5.270 1.00 1.00 C ATOM 774 CE LYS A 51 -0.908 12.115 -3.894 1.00 1.00 C ATOM 775 NZ LYS A 51 0.203 11.505 -3.111 1.00 1.00 N ATOM 0 H LYS A 51 -3.764 8.594 -6.592 1.00 1.00 H new ATOM 0 HA LYS A 51 -1.985 10.721 -7.702 1.00 1.00 H new ATOM 0 HB2 LYS A 51 -1.321 8.104 -6.278 1.00 1.00 H new ATOM 0 HB3 LYS A 51 -0.165 9.300 -6.830 1.00 1.00 H new ATOM 0 HG2 LYS A 51 -2.346 9.827 -4.735 1.00 1.00 H new ATOM 0 HG3 LYS A 51 -0.668 9.490 -4.357 1.00 1.00 H new ATOM 0 HD2 LYS A 51 -0.038 11.548 -5.794 1.00 1.00 H new ATOM 0 HD3 LYS A 51 -1.747 11.924 -5.881 1.00 1.00 H new ATOM 0 HE2 LYS A 51 -0.741 13.186 -4.012 1.00 1.00 H new ATOM 0 HE3 LYS A 51 -1.852 11.996 -3.362 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 0.554 12.192 -2.413 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 -0.144 10.657 -2.618 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 0.976 11.239 -3.754 1.00 1.00 H new ATOM 789 N LYS A 52 -1.264 9.328 -9.707 1.00 1.00 N ATOM 790 CA LYS A 52 -1.074 8.669 -11.014 1.00 1.00 C ATOM 791 C LYS A 52 0.093 7.677 -10.972 1.00 1.00 C ATOM 792 O LYS A 52 0.834 7.619 -9.990 1.00 1.00 O ATOM 793 CB LYS A 52 -0.826 9.742 -12.105 1.00 1.00 C ATOM 794 CG LYS A 52 -1.995 10.803 -12.131 1.00 1.00 C ATOM 795 CD LYS A 52 -1.638 12.054 -11.290 1.00 1.00 C ATOM 796 CE LYS A 52 -2.818 13.039 -11.273 1.00 1.00 C ATOM 797 NZ LYS A 52 -3.968 12.416 -10.561 1.00 1.00 N ATOM 0 H LYS A 52 -0.712 10.178 -9.593 1.00 1.00 H new ATOM 0 HA LYS A 52 -1.978 8.109 -11.252 1.00 1.00 H new ATOM 0 HB2 LYS A 52 0.122 10.245 -11.916 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -0.744 9.262 -13.080 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -2.197 11.100 -13.160 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -2.908 10.351 -11.744 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -1.389 11.757 -10.271 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -0.755 12.540 -11.705 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -2.527 13.965 -10.777 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -3.104 13.299 -12.292 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -4.626 13.158 -10.248 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -4.462 11.764 -11.203 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -3.621 11.890 -9.734 1.00 1.00 H new ATOM 811 N VAL A 53 0.241 6.888 -12.045 1.00 1.00 N ATOM 812 CA VAL A 53 1.311 5.892 -12.123 1.00 1.00 C ATOM 813 C VAL A 53 2.677 6.586 -12.195 1.00 1.00 C ATOM 814 O VAL A 53 2.843 7.561 -12.927 1.00 1.00 O ATOM 815 CB VAL A 53 1.136 4.999 -13.386 1.00 1.00 C ATOM 816 CG1 VAL A 53 2.098 3.796 -13.321 1.00 1.00 C ATOM 817 CG2 VAL A 53 -0.317 4.501 -13.485 1.00 1.00 C ATOM 0 H VAL A 53 -0.365 6.922 -12.865 1.00 1.00 H new ATOM 0 HA VAL A 53 1.259 5.271 -11.229 1.00 1.00 H new ATOM 0 HB VAL A 53 1.369 5.593 -14.270 1.00 1.00 H new ATOM 0 HG11 VAL A 53 1.968 3.178 -14.209 1.00 1.00 H new ATOM 0 HG12 VAL A 53 3.126 4.154 -13.276 1.00 1.00 H new ATOM 0 HG13 VAL A 53 1.881 3.204 -12.432 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -0.428 3.877 -14.372 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -0.563 3.917 -12.598 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -0.990 5.355 -13.555 1.00 1.00 H new ATOM 827 N GLY A 54 3.658 6.057 -11.455 1.00 1.00 N ATOM 828 CA GLY A 54 5.023 6.598 -11.457 1.00 1.00 C ATOM 829 C GLY A 54 5.277 7.462 -10.236 1.00 1.00 C ATOM 830 O GLY A 54 6.422 7.613 -9.820 1.00 1.00 O ATOM 0 H GLY A 54 3.531 5.250 -10.844 1.00 1.00 H new ATOM 0 HA2 GLY A 54 5.741 5.778 -11.480 1.00 1.00 H new ATOM 0 HA3 GLY A 54 5.182 7.187 -12.361 1.00 1.00 H new ATOM 834 N ASP A 55 4.230 8.069 -9.677 1.00 1.00 N ATOM 835 CA ASP A 55 4.393 8.939 -8.516 1.00 1.00 C ATOM 836 C ASP A 55 5.090 8.215 -7.365 1.00 1.00 C ATOM 837 O ASP A 55 4.938 7.010 -7.199 1.00 1.00 O ATOM 838 CB ASP A 55 2.993 9.403 -8.055 1.00 1.00 C ATOM 839 CG ASP A 55 3.087 10.541 -7.035 1.00 1.00 C ATOM 840 OD1 ASP A 55 3.603 11.586 -7.394 1.00 1.00 O ATOM 841 OD2 ASP A 55 2.602 10.361 -5.930 1.00 1.00 O ATOM 0 H ASP A 55 3.269 7.975 -10.007 1.00 1.00 H new ATOM 0 HA ASP A 55 5.013 9.789 -8.799 1.00 1.00 H new ATOM 0 HB2 ASP A 55 2.415 9.734 -8.918 1.00 1.00 H new ATOM 0 HB3 ASP A 55 2.456 8.562 -7.615 1.00 1.00 H new ATOM 846 N THR A 56 5.832 8.968 -6.558 1.00 1.00 N ATOM 847 CA THR A 56 6.524 8.405 -5.394 1.00 1.00 C ATOM 848 C THR A 56 5.568 8.429 -4.201 1.00 1.00 C ATOM 849 O THR A 56 4.844 9.409 -4.003 1.00 1.00 O ATOM 850 CB THR A 56 7.782 9.229 -5.088 1.00 1.00 C ATOM 851 OG1 THR A 56 7.415 10.582 -4.865 1.00 1.00 O ATOM 852 CG2 THR A 56 8.752 9.146 -6.273 1.00 1.00 C ATOM 0 H THR A 56 5.972 9.970 -6.686 1.00 1.00 H new ATOM 0 HA THR A 56 6.828 7.378 -5.598 1.00 1.00 H new ATOM 0 HB THR A 56 8.269 8.833 -4.197 1.00 1.00 H new ATOM 0 HG1 THR A 56 8.217 11.110 -4.668 1.00 1.00 H new ATOM 0 HG21 THR A 56 9.645 9.732 -6.054 1.00 1.00 H new ATOM 0 HG22 THR A 56 9.032 8.106 -6.442 1.00 1.00 H new ATOM 0 HG23 THR A 56 8.269 9.541 -7.167 1.00 1.00 H new ATOM 860 N VAL A 57 5.542 7.323 -3.442 1.00 1.00 N ATOM 861 CA VAL A 57 4.633 7.164 -2.277 1.00 1.00 C ATOM 862 C VAL A 57 5.436 6.915 -0.995 1.00 1.00 C ATOM 863 O VAL A 57 6.608 6.536 -1.043 1.00 1.00 O ATOM 864 CB VAL A 57 3.613 5.980 -2.577 1.00 1.00 C ATOM 865 CG1 VAL A 57 3.963 4.665 -1.808 1.00 1.00 C ATOM 866 CG2 VAL A 57 2.162 6.394 -2.213 1.00 1.00 C ATOM 0 H VAL A 57 6.142 6.515 -3.609 1.00 1.00 H new ATOM 0 HA VAL A 57 4.066 8.081 -2.121 1.00 1.00 H new ATOM 0 HB VAL A 57 3.695 5.782 -3.646 1.00 1.00 H new ATOM 0 HG11 VAL A 57 3.232 3.895 -2.053 1.00 1.00 H new ATOM 0 HG12 VAL A 57 4.958 4.327 -2.099 1.00 1.00 H new ATOM 0 HG13 VAL A 57 3.944 4.855 -0.735 1.00 1.00 H new ATOM 0 HG21 VAL A 57 1.483 5.568 -2.427 1.00 1.00 H new ATOM 0 HG22 VAL A 57 2.109 6.641 -1.153 1.00 1.00 H new ATOM 0 HG23 VAL A 57 1.873 7.263 -2.803 1.00 1.00 H new ATOM 876 N LYS A 58 4.767 7.105 0.148 1.00 1.00 N ATOM 877 CA LYS A 58 5.372 6.876 1.469 1.00 1.00 C ATOM 878 C LYS A 58 4.417 5.995 2.257 1.00 1.00 C ATOM 879 O LYS A 58 3.334 6.430 2.617 1.00 1.00 O ATOM 880 CB LYS A 58 5.547 8.229 2.177 1.00 1.00 C ATOM 881 CG LYS A 58 6.498 9.115 1.361 1.00 1.00 C ATOM 882 CD LYS A 58 6.664 10.479 2.050 1.00 1.00 C ATOM 883 CE LYS A 58 7.568 11.375 1.199 1.00 1.00 C ATOM 884 NZ LYS A 58 8.885 10.706 0.998 1.00 1.00 N ATOM 0 H LYS A 58 3.797 7.420 0.186 1.00 1.00 H new ATOM 0 HA LYS A 58 6.347 6.396 1.384 1.00 1.00 H new ATOM 0 HB2 LYS A 58 4.581 8.721 2.288 1.00 1.00 H new ATOM 0 HB3 LYS A 58 5.945 8.078 3.180 1.00 1.00 H new ATOM 0 HG2 LYS A 58 7.468 8.628 1.262 1.00 1.00 H new ATOM 0 HG3 LYS A 58 6.106 9.252 0.353 1.00 1.00 H new ATOM 0 HD2 LYS A 58 5.691 10.951 2.186 1.00 1.00 H new ATOM 0 HD3 LYS A 58 7.095 10.347 3.042 1.00 1.00 H new ATOM 0 HE2 LYS A 58 7.098 11.573 0.236 1.00 1.00 H new ATOM 0 HE3 LYS A 58 7.709 12.338 1.689 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 9.644 11.416 1.033 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 9.035 10.002 1.748 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 8.896 10.233 0.072 1.00 1.00 H new ATOM 898 N ILE A 59 4.822 4.744 2.506 1.00 1.00 N ATOM 899 CA ILE A 59 3.980 3.779 3.229 1.00 1.00 C ATOM 900 C ILE A 59 4.435 3.685 4.681 1.00 1.00 C ATOM 901 O ILE A 59 5.627 3.599 4.954 1.00 1.00 O ATOM 902 CB ILE A 59 4.101 2.376 2.586 1.00 1.00 C ATOM 903 CG1 ILE A 59 3.826 2.399 1.064 1.00 1.00 C ATOM 904 CG2 ILE A 59 3.127 1.367 3.266 1.00 1.00 C ATOM 905 CD1 ILE A 59 2.406 2.878 0.709 1.00 1.00 C ATOM 0 H ILE A 59 5.728 4.374 2.218 1.00 1.00 H new ATOM 0 HA ILE A 59 2.946 4.119 3.179 1.00 1.00 H new ATOM 0 HB ILE A 59 5.131 2.056 2.741 1.00 1.00 H new ATOM 0 HG12 ILE A 59 4.553 3.051 0.580 1.00 1.00 H new ATOM 0 HG13 ILE A 59 3.976 1.398 0.659 1.00 1.00 H new ATOM 0 HG21 ILE A 59 3.231 0.389 2.797 1.00 1.00 H new ATOM 0 HG22 ILE A 59 3.367 1.288 4.326 1.00 1.00 H new ATOM 0 HG23 ILE A 59 2.101 1.718 3.151 1.00 1.00 H new ATOM 0 HD11 ILE A 59 2.279 2.870 -0.374 1.00 1.00 H new ATOM 0 HD12 ILE A 59 1.673 2.212 1.165 1.00 1.00 H new ATOM 0 HD13 ILE A 59 2.259 3.891 1.084 1.00 1.00 H new ATOM 917 N LYS A 60 3.464 3.641 5.593 1.00 1.00 N ATOM 918 CA LYS A 60 3.716 3.493 7.031 1.00 1.00 C ATOM 919 C LYS A 60 2.850 2.331 7.513 1.00 1.00 C ATOM 920 O LYS A 60 1.621 2.415 7.473 1.00 1.00 O ATOM 921 CB LYS A 60 3.338 4.813 7.761 1.00 1.00 C ATOM 922 CG LYS A 60 3.989 4.900 9.186 1.00 1.00 C ATOM 923 CD LYS A 60 5.466 5.428 9.122 1.00 1.00 C ATOM 924 CE LYS A 60 5.504 6.973 9.121 1.00 1.00 C ATOM 925 NZ LYS A 60 6.908 7.435 8.925 1.00 1.00 N ATOM 0 H LYS A 60 2.474 3.707 5.356 1.00 1.00 H new ATOM 0 HA LYS A 60 4.767 3.291 7.240 1.00 1.00 H new ATOM 0 HB2 LYS A 60 3.661 5.665 7.162 1.00 1.00 H new ATOM 0 HB3 LYS A 60 2.254 4.880 7.852 1.00 1.00 H new ATOM 0 HG2 LYS A 60 3.394 5.560 9.817 1.00 1.00 H new ATOM 0 HG3 LYS A 60 3.975 3.915 9.652 1.00 1.00 H new ATOM 0 HD2 LYS A 60 6.029 5.048 9.974 1.00 1.00 H new ATOM 0 HD3 LYS A 60 5.953 5.048 8.224 1.00 1.00 H new ATOM 0 HE2 LYS A 60 4.867 7.363 8.327 1.00 1.00 H new ATOM 0 HE3 LYS A 60 5.111 7.358 10.062 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 7.048 8.340 9.418 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 7.564 6.726 9.311 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 7.093 7.562 7.909 1.00 1.00 H new ATOM 939 N TYR A 61 3.487 1.236 7.938 1.00 1.00 N ATOM 940 CA TYR A 61 2.755 0.049 8.392 1.00 1.00 C ATOM 941 C TYR A 61 3.515 -0.628 9.526 1.00 1.00 C ATOM 942 O TYR A 61 4.726 -0.450 9.672 1.00 1.00 O ATOM 943 CB TYR A 61 2.560 -0.925 7.197 1.00 1.00 C ATOM 944 CG TYR A 61 3.875 -1.625 6.804 1.00 1.00 C ATOM 945 CD1 TYR A 61 4.282 -2.772 7.498 1.00 1.00 C ATOM 946 CD2 TYR A 61 4.668 -1.140 5.757 1.00 1.00 C ATOM 947 CE1 TYR A 61 5.468 -3.429 7.149 1.00 1.00 C ATOM 948 CE2 TYR A 61 5.855 -1.793 5.404 1.00 1.00 C ATOM 949 CZ TYR A 61 6.256 -2.938 6.101 1.00 1.00 C ATOM 950 OH TYR A 61 7.426 -3.582 5.751 1.00 1.00 O ATOM 0 H TYR A 61 4.502 1.146 7.977 1.00 1.00 H new ATOM 0 HA TYR A 61 1.775 0.343 8.768 1.00 1.00 H new ATOM 0 HB2 TYR A 61 1.814 -1.675 7.459 1.00 1.00 H new ATOM 0 HB3 TYR A 61 2.172 -0.375 6.340 1.00 1.00 H new ATOM 0 HD1 TYR A 61 3.677 -3.152 8.308 1.00 1.00 H new ATOM 0 HD2 TYR A 61 4.362 -0.256 5.218 1.00 1.00 H new ATOM 0 HE1 TYR A 61 5.775 -4.313 7.688 1.00 1.00 H new ATOM 0 HE2 TYR A 61 6.461 -1.413 4.594 1.00 1.00 H new ATOM 0 HH TYR A 61 7.240 -4.240 5.049 1.00 1.00 H new ATOM 960 N LYS A 62 2.786 -1.413 10.327 1.00 1.00 N ATOM 961 CA LYS A 62 3.362 -2.144 11.464 1.00 1.00 C ATOM 962 C LYS A 62 2.936 -3.605 11.405 1.00 1.00 C ATOM 963 O LYS A 62 1.765 -3.902 11.157 1.00 1.00 O ATOM 964 CB LYS A 62 2.897 -1.493 12.786 1.00 1.00 C ATOM 965 CG LYS A 62 1.356 -1.503 12.888 1.00 1.00 C ATOM 966 CD LYS A 62 0.901 -0.764 14.161 1.00 1.00 C ATOM 967 CE LYS A 62 -0.630 -0.848 14.302 1.00 1.00 C ATOM 968 NZ LYS A 62 -1.281 -0.184 13.138 1.00 1.00 N ATOM 0 H LYS A 62 1.784 -1.560 10.207 1.00 1.00 H new ATOM 0 HA LYS A 62 4.450 -2.099 11.416 1.00 1.00 H new ATOM 0 HB2 LYS A 62 3.326 -2.030 13.632 1.00 1.00 H new ATOM 0 HB3 LYS A 62 3.263 -0.468 12.841 1.00 1.00 H new ATOM 0 HG2 LYS A 62 0.923 -1.027 12.008 1.00 1.00 H new ATOM 0 HG3 LYS A 62 0.992 -2.530 12.906 1.00 1.00 H new ATOM 0 HD2 LYS A 62 1.379 -1.203 15.037 1.00 1.00 H new ATOM 0 HD3 LYS A 62 1.213 0.279 14.117 1.00 1.00 H new ATOM 0 HE2 LYS A 62 -0.942 -1.891 14.359 1.00 1.00 H new ATOM 0 HE3 LYS A 62 -0.946 -0.369 15.229 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 -2.055 -0.782 12.785 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 -1.663 0.737 13.433 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 -0.580 -0.043 12.382 1.00 1.00 H new ATOM 982 N HIS A 63 3.878 -4.539 11.637 1.00 1.00 N ATOM 983 CA HIS A 63 3.598 -5.976 11.635 1.00 1.00 C ATOM 984 C HIS A 63 4.172 -6.545 12.932 1.00 1.00 C ATOM 985 O HIS A 63 5.374 -6.428 13.176 1.00 1.00 O ATOM 986 CB HIS A 63 4.281 -6.640 10.420 1.00 1.00 C ATOM 987 CG HIS A 63 3.916 -8.102 10.370 1.00 1.00 C ATOM 988 ND1 HIS A 63 4.637 -9.069 11.051 1.00 1.00 N ATOM 989 CD2 HIS A 63 2.875 -8.766 9.764 1.00 1.00 C ATOM 990 CE1 HIS A 63 4.029 -10.247 10.841 1.00 1.00 C ATOM 991 NE2 HIS A 63 2.950 -10.126 10.064 1.00 1.00 N ATOM 0 H HIS A 63 4.853 -4.312 11.831 1.00 1.00 H new ATOM 0 HA HIS A 63 2.527 -6.166 11.568 1.00 1.00 H new ATOM 0 HB2 HIS A 63 3.969 -6.146 9.500 1.00 1.00 H new ATOM 0 HB3 HIS A 63 5.363 -6.527 10.492 1.00 1.00 H new ATOM 0 HD2 HIS A 63 2.116 -8.305 9.150 1.00 1.00 H new ATOM 0 HE1 HIS A 63 4.373 -11.184 11.253 1.00 1.00 H new ATOM 0 HE2 HIS A 63 2.319 -10.866 9.757 1.00 1.00 H new ATOM 1000 N GLY A 64 3.332 -7.148 13.767 1.00 1.00 N ATOM 1001 CA GLY A 64 3.809 -7.704 15.038 1.00 1.00 C ATOM 1002 C GLY A 64 4.170 -6.582 16.022 1.00 1.00 C ATOM 1003 O GLY A 64 3.303 -5.802 16.421 1.00 1.00 O ATOM 0 H GLY A 64 2.333 -7.266 13.596 1.00 1.00 H new ATOM 0 HA2 GLY A 64 3.039 -8.342 15.473 1.00 1.00 H new ATOM 0 HA3 GLY A 64 4.681 -8.333 14.861 1.00 1.00 H new ATOM 1007 N ASN A 65 5.457 -6.509 16.412 1.00 1.00 N ATOM 1008 CA ASN A 65 5.954 -5.481 17.359 1.00 1.00 C ATOM 1009 C ASN A 65 6.928 -4.513 16.679 1.00 1.00 C ATOM 1010 O ASN A 65 7.161 -3.414 17.185 1.00 1.00 O ATOM 1011 CB ASN A 65 6.664 -6.173 18.534 1.00 1.00 C ATOM 1012 CG ASN A 65 5.688 -7.089 19.270 1.00 1.00 C ATOM 1013 OD1 ASN A 65 4.607 -6.660 19.672 1.00 1.00 O ATOM 1014 ND2 ASN A 65 5.996 -8.341 19.471 1.00 1.00 N ATOM 0 H ASN A 65 6.179 -7.152 16.086 1.00 1.00 H new ATOM 0 HA ASN A 65 5.099 -4.907 17.716 1.00 1.00 H new ATOM 0 HB2 ASN A 65 7.512 -6.752 18.167 1.00 1.00 H new ATOM 0 HB3 ASN A 65 7.061 -5.425 19.220 1.00 1.00 H new ATOM 0 HD21 ASN A 65 5.343 -8.955 19.958 1.00 1.00 H new ATOM 0 HD22 ASN A 65 6.890 -8.706 19.141 1.00 1.00 H new ATOM 1021 N LYS A 66 7.505 -4.928 15.539 1.00 1.00 N ATOM 1022 CA LYS A 66 8.475 -4.093 14.796 1.00 1.00 C ATOM 1023 C LYS A 66 7.803 -3.379 13.612 1.00 1.00 C ATOM 1024 O LYS A 66 7.070 -3.992 12.834 1.00 1.00 O ATOM 1025 CB LYS A 66 9.647 -4.979 14.296 1.00 1.00 C ATOM 1026 CG LYS A 66 9.129 -6.145 13.437 1.00 1.00 C ATOM 1027 CD LYS A 66 10.307 -7.026 12.981 1.00 1.00 C ATOM 1028 CE LYS A 66 9.785 -8.188 12.124 1.00 1.00 C ATOM 1029 NZ LYS A 66 10.934 -9.015 11.653 1.00 1.00 N ATOM 0 H LYS A 66 7.320 -5.834 15.109 1.00 1.00 H new ATOM 0 HA LYS A 66 8.860 -3.328 15.470 1.00 1.00 H new ATOM 0 HB2 LYS A 66 10.342 -4.374 13.713 1.00 1.00 H new ATOM 0 HB3 LYS A 66 10.202 -5.370 15.149 1.00 1.00 H new ATOM 0 HG2 LYS A 66 8.418 -6.741 14.009 1.00 1.00 H new ATOM 0 HG3 LYS A 66 8.595 -5.759 12.569 1.00 1.00 H new ATOM 0 HD2 LYS A 66 11.018 -6.431 12.409 1.00 1.00 H new ATOM 0 HD3 LYS A 66 10.841 -7.413 13.849 1.00 1.00 H new ATOM 0 HE2 LYS A 66 9.096 -8.801 12.705 1.00 1.00 H new ATOM 0 HE3 LYS A 66 9.227 -7.802 11.271 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 10.580 -9.802 11.072 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 11.575 -8.426 11.084 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 11.448 -9.394 12.474 1.00 1.00 H new ATOM 1043 N ASN A 67 8.062 -2.063 13.486 1.00 1.00 N ATOM 1044 CA ASN A 67 7.513 -1.240 12.400 1.00 1.00 C ATOM 1045 C ASN A 67 8.589 -1.007 11.345 1.00 1.00 C ATOM 1046 O ASN A 67 9.768 -0.861 11.669 1.00 1.00 O ATOM 1047 CB ASN A 67 7.009 0.110 12.951 1.00 1.00 C ATOM 1048 CG ASN A 67 6.325 0.914 11.843 1.00 1.00 C ATOM 1049 OD1 ASN A 67 6.943 1.236 10.828 1.00 1.00 O ATOM 1050 ND2 ASN A 67 5.067 1.244 11.960 1.00 1.00 N ATOM 0 H ASN A 67 8.656 -1.545 14.134 1.00 1.00 H new ATOM 0 HA ASN A 67 6.671 -1.763 11.947 1.00 1.00 H new ATOM 0 HB2 ASN A 67 6.310 -0.062 13.769 1.00 1.00 H new ATOM 0 HB3 ASN A 67 7.845 0.679 13.359 1.00 1.00 H new ATOM 0 HD21 ASN A 67 4.605 1.764 11.214 1.00 1.00 H new ATOM 0 HD22 ASN A 67 4.547 0.982 12.797 1.00 1.00 H new ATOM 1057 N GLU A 68 8.169 -0.969 10.078 1.00 1.00 N ATOM 1058 CA GLU A 68 9.078 -0.746 8.941 1.00 1.00 C ATOM 1059 C GLU A 68 8.453 0.290 7.995 1.00 1.00 C ATOM 1060 O GLU A 68 7.243 0.274 7.770 1.00 1.00 O ATOM 1061 CB GLU A 68 9.279 -2.073 8.179 1.00 1.00 C ATOM 1062 CG GLU A 68 9.849 -3.158 9.117 1.00 1.00 C ATOM 1063 CD GLU A 68 11.243 -2.772 9.616 1.00 1.00 C ATOM 1064 OE1 GLU A 68 11.899 -1.984 8.954 1.00 1.00 O ATOM 1065 OE2 GLU A 68 11.627 -3.246 10.673 1.00 1.00 O ATOM 0 H GLU A 68 7.193 -1.091 9.807 1.00 1.00 H new ATOM 0 HA GLU A 68 10.040 -0.384 9.304 1.00 1.00 H new ATOM 0 HB2 GLU A 68 8.328 -2.407 7.763 1.00 1.00 H new ATOM 0 HB3 GLU A 68 9.957 -1.917 7.340 1.00 1.00 H new ATOM 0 HG2 GLU A 68 9.180 -3.298 9.966 1.00 1.00 H new ATOM 0 HG3 GLU A 68 9.898 -4.111 8.590 1.00 1.00 H new ATOM 1072 N GLU A 69 9.290 1.184 7.441 1.00 1.00 N ATOM 1073 CA GLU A 69 8.840 2.242 6.504 1.00 1.00 C ATOM 1074 C GLU A 69 9.629 2.137 5.201 1.00 1.00 C ATOM 1075 O GLU A 69 10.857 2.040 5.212 1.00 1.00 O ATOM 1076 CB GLU A 69 9.070 3.627 7.142 1.00 1.00 C ATOM 1077 CG GLU A 69 8.573 4.762 6.222 1.00 1.00 C ATOM 1078 CD GLU A 69 8.726 6.125 6.898 1.00 1.00 C ATOM 1079 OE1 GLU A 69 9.438 6.222 7.884 1.00 1.00 O ATOM 1080 OE2 GLU A 69 8.128 7.070 6.410 1.00 1.00 O ATOM 0 H GLU A 69 10.293 1.199 7.625 1.00 1.00 H new ATOM 0 HA GLU A 69 7.778 2.115 6.294 1.00 1.00 H new ATOM 0 HB2 GLU A 69 8.551 3.679 8.099 1.00 1.00 H new ATOM 0 HB3 GLU A 69 10.132 3.762 7.348 1.00 1.00 H new ATOM 0 HG2 GLU A 69 9.136 4.750 5.288 1.00 1.00 H new ATOM 0 HG3 GLU A 69 7.527 4.595 5.966 1.00 1.00 H new ATOM 1087 N ALA A 70 8.907 2.154 4.077 1.00 1.00 N ATOM 1088 CA ALA A 70 9.518 2.059 2.748 1.00 1.00 C ATOM 1089 C ALA A 70 8.719 2.886 1.736 1.00 1.00 C ATOM 1090 O ALA A 70 7.490 2.955 1.804 1.00 1.00 O ATOM 1091 CB ALA A 70 9.538 0.588 2.315 1.00 1.00 C ATOM 0 H ALA A 70 7.890 2.233 4.062 1.00 1.00 H new ATOM 0 HA ALA A 70 10.535 2.449 2.788 1.00 1.00 H new ATOM 0 HB1 ALA A 70 9.991 0.506 1.327 1.00 1.00 H new ATOM 0 HB2 ALA A 70 10.119 0.006 3.030 1.00 1.00 H new ATOM 0 HB3 ALA A 70 8.518 0.205 2.280 1.00 1.00 H new ATOM 1097 N SER A 71 9.438 3.487 0.781 1.00 1.00 N ATOM 1098 CA SER A 71 8.824 4.295 -0.290 1.00 1.00 C ATOM 1099 C SER A 71 8.720 3.435 -1.547 1.00 1.00 C ATOM 1100 O SER A 71 9.663 2.720 -1.887 1.00 1.00 O ATOM 1101 CB SER A 71 9.677 5.532 -0.576 1.00 1.00 C ATOM 1102 OG SER A 71 9.783 6.310 0.608 1.00 1.00 O ATOM 0 H SER A 71 10.455 3.431 0.725 1.00 1.00 H new ATOM 0 HA SER A 71 7.833 4.626 0.021 1.00 1.00 H new ATOM 0 HB2 SER A 71 10.668 5.234 -0.920 1.00 1.00 H new ATOM 0 HB3 SER A 71 9.227 6.122 -1.374 1.00 1.00 H new ATOM 0 HG SER A 71 10.330 7.103 0.430 1.00 1.00 H new ATOM 1108 N ILE A 72 7.548 3.458 -2.201 1.00 1.00 N ATOM 1109 CA ILE A 72 7.300 2.621 -3.393 1.00 1.00 C ATOM 1110 C ILE A 72 6.537 3.402 -4.476 1.00 1.00 C ATOM 1111 O ILE A 72 5.593 4.124 -4.180 1.00 1.00 O ATOM 1112 CB ILE A 72 6.441 1.377 -2.986 1.00 1.00 C ATOM 1113 CG1 ILE A 72 6.861 0.832 -1.589 1.00 1.00 C ATOM 1114 CG2 ILE A 72 6.615 0.266 -4.041 1.00 1.00 C ATOM 1115 CD1 ILE A 72 5.893 -0.269 -1.138 1.00 1.00 C ATOM 0 H ILE A 72 6.758 4.043 -1.929 1.00 1.00 H new ATOM 0 HA ILE A 72 8.266 2.313 -3.792 1.00 1.00 H new ATOM 0 HB ILE A 72 5.397 1.686 -2.933 1.00 1.00 H new ATOM 0 HG12 ILE A 72 7.876 0.438 -1.634 1.00 1.00 H new ATOM 0 HG13 ILE A 72 6.866 1.643 -0.861 1.00 1.00 H new ATOM 0 HG21 ILE A 72 6.017 -0.601 -3.759 1.00 1.00 H new ATOM 0 HG22 ILE A 72 6.286 0.633 -5.013 1.00 1.00 H new ATOM 0 HG23 ILE A 72 7.665 -0.020 -4.098 1.00 1.00 H new ATOM 0 HD11 ILE A 72 6.197 -0.642 -0.160 1.00 1.00 H new ATOM 0 HD12 ILE A 72 4.884 0.138 -1.074 1.00 1.00 H new ATOM 0 HD13 ILE A 72 5.910 -1.086 -1.859 1.00 1.00 H new ATOM 1127 N LYS A 73 6.919 3.229 -5.742 1.00 1.00 N ATOM 1128 CA LYS A 73 6.228 3.902 -6.851 1.00 1.00 C ATOM 1129 C LYS A 73 4.981 3.107 -7.247 1.00 1.00 C ATOM 1130 O LYS A 73 5.002 1.876 -7.276 1.00 1.00 O ATOM 1131 CB LYS A 73 7.198 4.049 -8.068 1.00 1.00 C ATOM 1132 CG LYS A 73 7.993 5.367 -7.966 1.00 1.00 C ATOM 1133 CD LYS A 73 9.061 5.440 -9.072 1.00 1.00 C ATOM 1134 CE LYS A 73 9.893 6.716 -8.904 1.00 1.00 C ATOM 1135 NZ LYS A 73 8.997 7.901 -8.979 1.00 1.00 N ATOM 0 H LYS A 73 7.697 2.634 -6.027 1.00 1.00 H new ATOM 0 HA LYS A 73 5.917 4.897 -6.533 1.00 1.00 H new ATOM 0 HB2 LYS A 73 7.885 3.204 -8.097 1.00 1.00 H new ATOM 0 HB3 LYS A 73 6.630 4.031 -8.998 1.00 1.00 H new ATOM 0 HG2 LYS A 73 7.314 6.215 -8.051 1.00 1.00 H new ATOM 0 HG3 LYS A 73 8.469 5.437 -6.988 1.00 1.00 H new ATOM 0 HD2 LYS A 73 9.708 4.564 -9.025 1.00 1.00 H new ATOM 0 HD3 LYS A 73 8.584 5.432 -10.052 1.00 1.00 H new ATOM 0 HE2 LYS A 73 10.415 6.700 -7.947 1.00 1.00 H new ATOM 0 HE3 LYS A 73 10.655 6.772 -9.682 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 9.559 8.769 -8.865 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 8.519 7.917 -9.902 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 8.286 7.847 -8.222 1.00 1.00 H new ATOM 1149 N LEU A 74 3.903 3.822 -7.571 1.00 1.00 N ATOM 1150 CA LEU A 74 2.662 3.186 -7.983 1.00 1.00 C ATOM 1151 C LEU A 74 2.906 2.386 -9.271 1.00 1.00 C ATOM 1152 O LEU A 74 3.724 2.776 -10.106 1.00 1.00 O ATOM 1153 CB LEU A 74 1.601 4.281 -8.281 1.00 1.00 C ATOM 1154 CG LEU A 74 0.976 4.910 -7.001 1.00 1.00 C ATOM 1155 CD1 LEU A 74 0.070 3.898 -6.244 1.00 1.00 C ATOM 1156 CD2 LEU A 74 2.074 5.456 -6.065 1.00 1.00 C ATOM 0 H LEU A 74 3.869 4.841 -7.554 1.00 1.00 H new ATOM 0 HA LEU A 74 2.312 2.526 -7.189 1.00 1.00 H new ATOM 0 HB2 LEU A 74 2.063 5.070 -8.875 1.00 1.00 H new ATOM 0 HB3 LEU A 74 0.806 3.849 -8.888 1.00 1.00 H new ATOM 0 HG LEU A 74 0.347 5.740 -7.323 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -0.347 4.375 -5.357 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -0.741 3.576 -6.898 1.00 1.00 H new ATOM 0 HD13 LEU A 74 0.662 3.032 -5.946 1.00 1.00 H new ATOM 0 HD21 LEU A 74 1.613 5.890 -5.178 1.00 1.00 H new ATOM 0 HD22 LEU A 74 2.737 4.643 -5.768 1.00 1.00 H new ATOM 0 HD23 LEU A 74 2.649 6.221 -6.586 1.00 1.00 H new ATOM 1168 N THR A 75 2.168 1.284 -9.432 1.00 1.00 N ATOM 1169 CA THR A 75 2.254 0.426 -10.622 1.00 1.00 C ATOM 1170 C THR A 75 0.842 0.045 -11.083 1.00 1.00 C ATOM 1171 O THR A 75 -0.120 0.139 -10.322 1.00 1.00 O ATOM 1172 CB THR A 75 3.015 -0.863 -10.285 1.00 1.00 C ATOM 1173 OG1 THR A 75 2.285 -1.588 -9.304 1.00 1.00 O ATOM 1174 CG2 THR A 75 4.413 -0.544 -9.739 1.00 1.00 C ATOM 0 H THR A 75 1.492 0.959 -8.741 1.00 1.00 H new ATOM 0 HA THR A 75 2.776 0.971 -11.409 1.00 1.00 H new ATOM 0 HB THR A 75 3.123 -1.455 -11.194 1.00 1.00 H new ATOM 0 HG1 THR A 75 1.880 -0.962 -8.668 1.00 1.00 H new ATOM 0 HG21 THR A 75 4.934 -1.473 -9.507 1.00 1.00 H new ATOM 0 HG22 THR A 75 4.978 0.012 -10.488 1.00 1.00 H new ATOM 0 HG23 THR A 75 4.322 0.056 -8.834 1.00 1.00 H new ATOM 1182 N ALA A 76 0.736 -0.409 -12.333 1.00 1.00 N ATOM 1183 CA ALA A 76 -0.548 -0.842 -12.907 1.00 1.00 C ATOM 1184 C ALA A 76 -0.839 -2.283 -12.469 1.00 1.00 C ATOM 1185 O ALA A 76 -0.094 -3.200 -12.827 1.00 1.00 O ATOM 1186 CB ALA A 76 -0.448 -0.788 -14.437 1.00 1.00 C ATOM 0 H ALA A 76 1.526 -0.488 -12.973 1.00 1.00 H new ATOM 0 HA ALA A 76 -1.349 -0.188 -12.562 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -1.394 -1.107 -14.875 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -0.228 0.232 -14.751 1.00 1.00 H new ATOM 0 HB3 ALA A 76 0.349 -1.451 -14.773 1.00 1.00 H new ATOM 1192 N ILE A 77 -1.922 -2.481 -11.693 1.00 1.00 N ATOM 1193 CA ILE A 77 -2.311 -3.826 -11.197 1.00 1.00 C ATOM 1194 C ILE A 77 -3.474 -4.406 -12.014 1.00 1.00 C ATOM 1195 O ILE A 77 -3.723 -5.612 -11.979 1.00 1.00 O ATOM 1196 CB ILE A 77 -2.701 -3.768 -9.687 1.00 1.00 C ATOM 1197 CG1 ILE A 77 -4.069 -3.049 -9.432 1.00 1.00 C ATOM 1198 CG2 ILE A 77 -1.591 -3.057 -8.890 1.00 1.00 C ATOM 1199 CD1 ILE A 77 -4.108 -1.623 -10.004 1.00 1.00 C ATOM 0 H ILE A 77 -2.546 -1.731 -11.394 1.00 1.00 H new ATOM 0 HA ILE A 77 -1.447 -4.480 -11.314 1.00 1.00 H new ATOM 0 HB ILE A 77 -2.814 -4.799 -9.352 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -4.872 -3.636 -9.878 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -4.260 -3.011 -8.360 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -1.867 -3.019 -7.836 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -0.656 -3.606 -9.000 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -1.464 -2.043 -9.269 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -5.080 -1.174 -9.797 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -3.325 -1.023 -9.540 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -3.947 -1.659 -11.081 1.00 1.00 H new ATOM 1211 N ASP A 78 -4.190 -3.528 -12.735 1.00 1.00 N ATOM 1212 CA ASP A 78 -5.353 -3.924 -13.561 1.00 1.00 C ATOM 1213 C ASP A 78 -5.155 -3.504 -15.022 1.00 1.00 C ATOM 1214 O ASP A 78 -4.559 -2.468 -15.311 1.00 1.00 O ATOM 1215 CB ASP A 78 -6.625 -3.250 -13.005 1.00 1.00 C ATOM 1216 CG ASP A 78 -6.961 -3.788 -11.612 1.00 1.00 C ATOM 1217 OD1 ASP A 78 -6.521 -4.876 -11.279 1.00 1.00 O ATOM 1218 OD2 ASP A 78 -7.651 -3.100 -10.879 1.00 1.00 O ATOM 0 H ASP A 78 -3.985 -2.529 -12.765 1.00 1.00 H new ATOM 0 HA ASP A 78 -5.453 -5.009 -13.522 1.00 1.00 H new ATOM 0 HB2 ASP A 78 -6.479 -2.171 -12.957 1.00 1.00 H new ATOM 0 HB3 ASP A 78 -7.462 -3.429 -13.680 1.00 1.00 H new ATOM 1223 N LYS A 79 -5.665 -4.329 -15.932 1.00 1.00 N ATOM 1224 CA LYS A 79 -5.570 -4.084 -17.371 1.00 1.00 C ATOM 1225 C LYS A 79 -6.003 -2.659 -17.751 1.00 1.00 C ATOM 1226 O LYS A 79 -5.691 -2.180 -18.841 1.00 1.00 O ATOM 1227 CB LYS A 79 -6.468 -5.114 -18.093 1.00 1.00 C ATOM 1228 CG LYS A 79 -7.920 -5.001 -17.574 1.00 1.00 C ATOM 1229 CD LYS A 79 -8.802 -6.079 -18.222 1.00 1.00 C ATOM 1230 CE LYS A 79 -10.246 -5.938 -17.719 1.00 1.00 C ATOM 1231 NZ LYS A 79 -10.276 -6.110 -16.236 1.00 1.00 N ATOM 0 H LYS A 79 -6.158 -5.190 -15.693 1.00 1.00 H new ATOM 0 HA LYS A 79 -4.528 -4.189 -17.674 1.00 1.00 H new ATOM 0 HB2 LYS A 79 -6.443 -4.941 -19.169 1.00 1.00 H new ATOM 0 HB3 LYS A 79 -6.089 -6.122 -17.923 1.00 1.00 H new ATOM 0 HG2 LYS A 79 -7.936 -5.112 -16.490 1.00 1.00 H new ATOM 0 HG3 LYS A 79 -8.318 -4.012 -17.799 1.00 1.00 H new ATOM 0 HD2 LYS A 79 -8.774 -5.982 -19.307 1.00 1.00 H new ATOM 0 HD3 LYS A 79 -8.418 -7.070 -17.981 1.00 1.00 H new ATOM 0 HE2 LYS A 79 -10.643 -4.960 -17.990 1.00 1.00 H new ATOM 0 HE3 LYS A 79 -10.883 -6.684 -18.195 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 -11.241 -6.353 -15.934 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 -9.625 -6.874 -15.962 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 -9.982 -5.224 -15.778 1.00 1.00 H new ATOM 1245 N LYS A 80 -6.744 -1.998 -16.858 1.00 1.00 N ATOM 1246 CA LYS A 80 -7.241 -0.636 -17.125 1.00 1.00 C ATOM 1247 C LYS A 80 -6.151 0.403 -16.865 1.00 1.00 C ATOM 1248 O LYS A 80 -6.246 1.544 -17.318 1.00 1.00 O ATOM 1249 CB LYS A 80 -8.457 -0.354 -16.225 1.00 1.00 C ATOM 1250 CG LYS A 80 -9.577 -1.382 -16.518 1.00 1.00 C ATOM 1251 CD LYS A 80 -10.883 -1.008 -15.783 1.00 1.00 C ATOM 1252 CE LYS A 80 -10.691 -0.992 -14.248 1.00 1.00 C ATOM 1253 NZ LYS A 80 -9.923 -2.193 -13.815 1.00 1.00 N ATOM 0 H LYS A 80 -7.014 -2.376 -15.950 1.00 1.00 H new ATOM 0 HA LYS A 80 -7.532 -0.568 -18.173 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -8.165 -0.410 -15.176 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -8.824 0.657 -16.401 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -9.761 -1.428 -17.591 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -9.253 -2.375 -16.207 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -11.221 -0.027 -16.118 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -11.665 -1.721 -16.045 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -10.163 -0.086 -13.949 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -11.662 -0.973 -13.753 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -10.136 -2.400 -12.818 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -10.192 -3.008 -14.403 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -8.905 -2.011 -13.921 1.00 1.00 H new ATOM 1267 N GLY A 81 -5.109 -0.005 -16.144 1.00 1.00 N ATOM 1268 CA GLY A 81 -3.984 0.884 -15.828 1.00 1.00 C ATOM 1269 C GLY A 81 -4.279 1.761 -14.615 1.00 1.00 C ATOM 1270 O GLY A 81 -3.916 2.938 -14.593 1.00 1.00 O ATOM 0 H GLY A 81 -5.017 -0.947 -15.765 1.00 1.00 H new ATOM 0 HA2 GLY A 81 -3.092 0.288 -15.637 1.00 1.00 H new ATOM 0 HA3 GLY A 81 -3.767 1.516 -16.689 1.00 1.00 H new ATOM 1274 N THR A 82 -4.926 1.185 -13.595 1.00 1.00 N ATOM 1275 CA THR A 82 -5.245 1.934 -12.375 1.00 1.00 C ATOM 1276 C THR A 82 -4.003 1.965 -11.444 1.00 1.00 C ATOM 1277 O THR A 82 -3.519 0.902 -11.073 1.00 1.00 O ATOM 1278 CB THR A 82 -6.407 1.247 -11.625 1.00 1.00 C ATOM 1279 OG1 THR A 82 -7.546 1.188 -12.473 1.00 1.00 O ATOM 1280 CG2 THR A 82 -6.766 2.041 -10.349 1.00 1.00 C ATOM 0 H THR A 82 -5.236 0.213 -13.589 1.00 1.00 H new ATOM 0 HA THR A 82 -5.532 2.949 -12.650 1.00 1.00 H new ATOM 0 HB THR A 82 -6.098 0.240 -11.343 1.00 1.00 H new ATOM 0 HG1 THR A 82 -8.284 0.751 -11.999 1.00 1.00 H new ATOM 0 HG21 THR A 82 -7.587 1.545 -9.831 1.00 1.00 H new ATOM 0 HG22 THR A 82 -5.897 2.087 -9.693 1.00 1.00 H new ATOM 0 HG23 THR A 82 -7.068 3.052 -10.622 1.00 1.00 H new ATOM 1288 N PRO A 83 -3.491 3.117 -11.028 1.00 1.00 N ATOM 1289 CA PRO A 83 -2.315 3.158 -10.088 1.00 1.00 C ATOM 1290 C PRO A 83 -2.532 2.258 -8.850 1.00 1.00 C ATOM 1291 O PRO A 83 -3.583 2.311 -8.208 1.00 1.00 O ATOM 1292 CB PRO A 83 -2.211 4.661 -9.688 1.00 1.00 C ATOM 1293 CG PRO A 83 -2.866 5.405 -10.822 1.00 1.00 C ATOM 1294 CD PRO A 83 -3.935 4.473 -11.408 1.00 1.00 C ATOM 0 HA PRO A 83 -1.403 2.779 -10.550 1.00 1.00 H new ATOM 0 HB2 PRO A 83 -2.717 4.855 -8.742 1.00 1.00 H new ATOM 0 HB3 PRO A 83 -1.172 4.966 -9.562 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -3.315 6.333 -10.467 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -2.132 5.676 -11.581 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -4.922 4.696 -11.002 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -4.004 4.579 -12.491 1.00 1.00 H new ATOM 1302 N GLY A 84 -1.521 1.438 -8.535 1.00 1.00 N ATOM 1303 CA GLY A 84 -1.589 0.527 -7.383 1.00 1.00 C ATOM 1304 C GLY A 84 -0.242 -0.155 -7.139 1.00 1.00 C ATOM 1305 O GLY A 84 0.627 -0.146 -8.005 1.00 1.00 O ATOM 0 H GLY A 84 -0.648 1.386 -9.060 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -1.885 1.083 -6.493 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -2.356 -0.228 -7.557 1.00 1.00 H new ATOM 1309 N ILE A 85 -0.075 -0.738 -5.940 1.00 1.00 N ATOM 1310 CA ILE A 85 1.183 -1.427 -5.546 1.00 1.00 C ATOM 1311 C ILE A 85 0.923 -2.935 -5.425 1.00 1.00 C ATOM 1312 O ILE A 85 1.511 -3.622 -4.596 1.00 1.00 O ATOM 1313 CB ILE A 85 1.752 -0.817 -4.183 1.00 1.00 C ATOM 1314 CG1 ILE A 85 0.825 0.318 -3.657 1.00 1.00 C ATOM 1315 CG2 ILE A 85 3.171 -0.251 -4.409 1.00 1.00 C ATOM 1316 CD1 ILE A 85 1.300 0.840 -2.287 1.00 1.00 C ATOM 0 H ILE A 85 -0.795 -0.750 -5.218 1.00 1.00 H new ATOM 0 HA ILE A 85 1.941 -1.269 -6.313 1.00 1.00 H new ATOM 0 HB ILE A 85 1.789 -1.616 -3.443 1.00 1.00 H new ATOM 0 HG12 ILE A 85 0.808 1.138 -4.375 1.00 1.00 H new ATOM 0 HG13 ILE A 85 -0.196 -0.054 -3.573 1.00 1.00 H new ATOM 0 HG21 ILE A 85 3.551 0.163 -3.475 1.00 1.00 H new ATOM 0 HG22 ILE A 85 3.832 -1.049 -4.747 1.00 1.00 H new ATOM 0 HG23 ILE A 85 3.134 0.534 -5.165 1.00 1.00 H new ATOM 0 HD11 ILE A 85 0.632 1.631 -1.948 1.00 1.00 H new ATOM 0 HD12 ILE A 85 1.293 0.024 -1.564 1.00 1.00 H new ATOM 0 HD13 ILE A 85 2.312 1.234 -2.379 1.00 1.00 H new ATOM 1328 N GLY A 86 0.062 -3.450 -6.290 1.00 1.00 N ATOM 1329 CA GLY A 86 -0.257 -4.883 -6.288 1.00 1.00 C ATOM 1330 C GLY A 86 -0.691 -5.347 -4.900 1.00 1.00 C ATOM 1331 O GLY A 86 -0.094 -6.245 -4.308 1.00 1.00 O ATOM 0 H GLY A 86 -0.429 -2.907 -7.000 1.00 1.00 H new ATOM 0 HA2 GLY A 86 -1.052 -5.083 -7.007 1.00 1.00 H new ATOM 0 HA3 GLY A 86 0.614 -5.453 -6.610 1.00 1.00 H new ATOM 1335 N ILE A 87 -1.755 -4.717 -4.413 1.00 1.00 N ATOM 1336 CA ILE A 87 -2.333 -5.034 -3.098 1.00 1.00 C ATOM 1337 C ILE A 87 -3.848 -4.923 -3.156 1.00 1.00 C ATOM 1338 O ILE A 87 -4.410 -4.304 -4.062 1.00 1.00 O ATOM 1339 CB ILE A 87 -1.786 -4.075 -2.015 1.00 1.00 C ATOM 1340 CG1 ILE A 87 -1.953 -2.615 -2.502 1.00 1.00 C ATOM 1341 CG2 ILE A 87 -0.299 -4.374 -1.729 1.00 1.00 C ATOM 1342 CD1 ILE A 87 -1.540 -1.631 -1.409 1.00 1.00 C ATOM 0 H ILE A 87 -2.244 -3.974 -4.911 1.00 1.00 H new ATOM 0 HA ILE A 87 -2.052 -6.055 -2.838 1.00 1.00 H new ATOM 0 HB ILE A 87 -2.345 -4.219 -1.091 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -1.347 -2.452 -3.393 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -2.990 -2.437 -2.785 1.00 1.00 H new ATOM 0 HG21 ILE A 87 0.069 -3.690 -0.965 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -0.195 -5.401 -1.377 1.00 1.00 H new ATOM 0 HG23 ILE A 87 0.281 -4.243 -2.643 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -1.665 -0.611 -1.772 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -2.164 -1.782 -0.528 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -0.495 -1.797 -1.146 1.00 1.00 H new ATOM 1354 N THR A 88 -4.491 -5.522 -2.156 1.00 1.00 N ATOM 1355 CA THR A 88 -5.968 -5.503 -2.027 1.00 1.00 C ATOM 1356 C THR A 88 -6.395 -5.196 -0.579 1.00 1.00 C ATOM 1357 O THR A 88 -6.130 -5.980 0.326 1.00 1.00 O ATOM 1358 CB THR A 88 -6.507 -6.870 -2.456 1.00 1.00 C ATOM 1359 OG1 THR A 88 -6.129 -7.112 -3.804 1.00 1.00 O ATOM 1360 CG2 THR A 88 -8.044 -6.927 -2.351 1.00 1.00 C ATOM 0 H THR A 88 -4.018 -6.034 -1.411 1.00 1.00 H new ATOM 0 HA THR A 88 -6.376 -4.718 -2.664 1.00 1.00 H new ATOM 0 HB THR A 88 -6.089 -7.627 -1.793 1.00 1.00 H new ATOM 0 HG1 THR A 88 -6.469 -7.987 -4.087 1.00 1.00 H new ATOM 0 HG21 THR A 88 -8.394 -7.911 -2.663 1.00 1.00 H new ATOM 0 HG22 THR A 88 -8.345 -6.745 -1.319 1.00 1.00 H new ATOM 0 HG23 THR A 88 -8.481 -6.165 -2.996 1.00 1.00 H new ATOM 1368 N LEU A 89 -7.077 -4.056 -0.379 1.00 1.00 N ATOM 1369 CA LEU A 89 -7.568 -3.634 0.955 1.00 1.00 C ATOM 1370 C LEU A 89 -9.048 -4.016 1.122 1.00 1.00 C ATOM 1371 O LEU A 89 -9.863 -3.787 0.227 1.00 1.00 O ATOM 1372 CB LEU A 89 -7.413 -2.093 1.090 1.00 1.00 C ATOM 1373 CG LEU A 89 -5.986 -1.690 1.551 1.00 1.00 C ATOM 1374 CD1 LEU A 89 -4.912 -2.281 0.623 1.00 1.00 C ATOM 1375 CD2 LEU A 89 -5.885 -0.154 1.545 1.00 1.00 C ATOM 0 H LEU A 89 -7.305 -3.402 -1.127 1.00 1.00 H new ATOM 0 HA LEU A 89 -6.985 -4.136 1.727 1.00 1.00 H new ATOM 0 HB2 LEU A 89 -7.631 -1.621 0.132 1.00 1.00 H new ATOM 0 HB3 LEU A 89 -8.145 -1.716 1.805 1.00 1.00 H new ATOM 0 HG LEU A 89 -5.814 -2.082 2.553 1.00 1.00 H new ATOM 0 HD11 LEU A 89 -3.924 -1.981 0.972 1.00 1.00 H new ATOM 0 HD12 LEU A 89 -4.984 -3.369 0.629 1.00 1.00 H new ATOM 0 HD13 LEU A 89 -5.065 -1.913 -0.392 1.00 1.00 H new ATOM 0 HD21 LEU A 89 -4.888 0.146 1.867 1.00 1.00 H new ATOM 0 HD22 LEU A 89 -6.069 0.219 0.537 1.00 1.00 H new ATOM 0 HD23 LEU A 89 -6.627 0.262 2.227 1.00 1.00 H new ATOM 1387 N VAL A 90 -9.387 -4.560 2.298 1.00 1.00 N ATOM 1388 CA VAL A 90 -10.770 -4.940 2.628 1.00 1.00 C ATOM 1389 C VAL A 90 -10.953 -4.878 4.148 1.00 1.00 C ATOM 1390 O VAL A 90 -10.094 -5.330 4.903 1.00 1.00 O ATOM 1391 CB VAL A 90 -11.100 -6.374 2.134 1.00 1.00 C ATOM 1392 CG1 VAL A 90 -11.217 -6.415 0.595 1.00 1.00 C ATOM 1393 CG2 VAL A 90 -10.003 -7.351 2.603 1.00 1.00 C ATOM 0 H VAL A 90 -8.717 -4.749 3.044 1.00 1.00 H new ATOM 0 HA VAL A 90 -11.445 -4.245 2.128 1.00 1.00 H new ATOM 0 HB VAL A 90 -12.059 -6.672 2.557 1.00 1.00 H new ATOM 0 HG11 VAL A 90 -11.449 -7.431 0.275 1.00 1.00 H new ATOM 0 HG12 VAL A 90 -12.012 -5.743 0.273 1.00 1.00 H new ATOM 0 HG13 VAL A 90 -10.273 -6.101 0.150 1.00 1.00 H new ATOM 0 HG21 VAL A 90 -10.238 -8.357 2.254 1.00 1.00 H new ATOM 0 HG22 VAL A 90 -9.041 -7.041 2.195 1.00 1.00 H new ATOM 0 HG23 VAL A 90 -9.953 -7.347 3.692 1.00 1.00 H new