USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 568 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 9 SER OG : rot 93:sc= 0.236 USER MOD Set 1.2: A 96 GLN :FLIP amide:sc= -1.61! C(o=-2.9!,f=-1.4!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 24 ASN : amide:sc= 0.076 K(o=0.076,f=-3.7!) USER MOD Single : A 46 SER OG : rot -37:sc= 0.236 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -4.31! C(o=-4.3!,f=-4.3!) USER MOD Single : A 70 ASN :FLIP amide:sc= 0.0923 F(o=-2.9!,f=0.092) USER MOD Single : A 75 SER OG : rot 180:sc= -1.03 USER MOD Single : A 78 THR OG1 : rot 180:sc=0.000337 USER MOD Single : A 79 HIS :FLIP no HE2:sc= -1.72 F(o=-3.7,f=-1.7) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -88:sc= 0.839 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -13.172 -6.060 -0.055 1.00 0.00 N ATOM 67 CA LYS A 8 -13.224 -5.318 -1.303 1.00 0.00 C ATOM 68 C LYS A 8 -11.836 -4.757 -1.616 1.00 0.00 C ATOM 69 O LYS A 8 -11.018 -4.575 -0.716 1.00 0.00 O ATOM 70 CB LYS A 8 -14.320 -4.251 -1.247 1.00 0.00 C ATOM 71 CG LYS A 8 -15.562 -4.699 -2.018 1.00 0.00 C ATOM 72 CD LYS A 8 -16.806 -4.654 -1.129 1.00 0.00 C ATOM 73 CE LYS A 8 -18.020 -5.242 -1.852 1.00 0.00 C ATOM 74 NZ LYS A 8 -19.169 -5.356 -0.927 1.00 0.00 N ATOM 0 HA LYS A 8 -13.495 -5.978 -2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.585 -4.051 -0.209 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.945 -3.317 -1.666 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.707 -4.055 -2.886 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.416 -5.712 -2.393 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.621 -5.211 -0.210 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -17.014 -3.624 -0.841 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -18.288 -4.609 -2.698 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -17.771 -6.224 -2.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -19.984 -5.757 -1.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -18.915 -5.978 -0.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -19.417 -4.414 -0.563 1.00 0.00 H new ATOM 88 N SER A 9 -11.612 -4.500 -2.897 1.00 0.00 N ATOM 89 CA SER A 9 -10.336 -3.964 -3.340 1.00 0.00 C ATOM 90 C SER A 9 -10.473 -2.471 -3.646 1.00 0.00 C ATOM 91 O SER A 9 -11.332 -2.071 -4.431 1.00 0.00 O ATOM 92 CB SER A 9 -9.822 -4.713 -4.571 1.00 0.00 C ATOM 93 OG SER A 9 -10.412 -4.230 -5.775 1.00 0.00 O ATOM 0 H SER A 9 -12.292 -4.653 -3.641 1.00 0.00 H new ATOM 0 HA SER A 9 -9.611 -4.099 -2.537 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.739 -4.610 -4.632 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.036 -5.776 -4.464 1.00 0.00 H new ATOM 0 HG SER A 9 -9.837 -3.540 -6.167 1.00 0.00 H new ATOM 99 N LEU A 10 -9.614 -1.688 -3.010 1.00 0.00 N ATOM 100 CA LEU A 10 -9.629 -0.248 -3.205 1.00 0.00 C ATOM 101 C LEU A 10 -8.272 0.203 -3.748 1.00 0.00 C ATOM 102 O LEU A 10 -7.239 -0.365 -3.396 1.00 0.00 O ATOM 103 CB LEU A 10 -10.042 0.463 -1.915 1.00 0.00 C ATOM 104 CG LEU A 10 -10.735 -0.406 -0.863 1.00 0.00 C ATOM 105 CD1 LEU A 10 -11.909 -1.174 -1.473 1.00 0.00 C ATOM 106 CD2 LEU A 10 -9.736 -1.338 -0.176 1.00 0.00 C ATOM 0 H LEU A 10 -8.903 -2.023 -2.360 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.378 0.028 -3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.152 0.903 -1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.708 1.286 -2.174 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.144 0.250 -0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.384 -1.784 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.635 -0.468 -1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.546 -1.818 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.255 -1.944 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.276 -1.990 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.964 -0.746 0.315 1.00 0.00 H new ATOM 118 N THR A 11 -8.318 1.219 -4.597 1.00 0.00 N ATOM 119 CA THR A 11 -7.104 1.753 -5.192 1.00 0.00 C ATOM 120 C THR A 11 -6.704 3.061 -4.506 1.00 0.00 C ATOM 121 O THR A 11 -7.561 3.881 -4.177 1.00 0.00 O ATOM 122 CB THR A 11 -7.341 1.903 -6.696 1.00 0.00 C ATOM 123 OG1 THR A 11 -8.202 0.815 -7.022 1.00 0.00 O ATOM 124 CG2 THR A 11 -6.078 1.638 -7.517 1.00 0.00 C ATOM 0 H THR A 11 -9.177 1.687 -4.887 1.00 0.00 H new ATOM 0 HA THR A 11 -6.262 1.076 -5.047 1.00 0.00 H new ATOM 0 HB THR A 11 -7.707 2.908 -6.907 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.408 0.837 -7.980 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.301 1.758 -8.577 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.301 2.345 -7.228 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.730 0.622 -7.332 1.00 0.00 H new ATOM 132 N LEU A 12 -5.403 3.216 -4.311 1.00 0.00 N ATOM 133 CA LEU A 12 -4.880 4.410 -3.670 1.00 0.00 C ATOM 134 C LEU A 12 -3.577 4.823 -4.358 1.00 0.00 C ATOM 135 O LEU A 12 -2.738 3.978 -4.665 1.00 0.00 O ATOM 136 CB LEU A 12 -4.736 4.191 -2.163 1.00 0.00 C ATOM 137 CG LEU A 12 -5.125 2.804 -1.647 1.00 0.00 C ATOM 138 CD1 LEU A 12 -3.907 1.882 -1.581 1.00 0.00 C ATOM 139 CD2 LEU A 12 -5.843 2.902 -0.299 1.00 0.00 C ATOM 0 H LEU A 12 -4.696 2.534 -4.586 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.578 5.239 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.700 4.383 -1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.346 4.933 -1.648 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.826 2.361 -2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.211 0.903 -1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.477 1.776 -2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.164 2.309 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.109 1.902 0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.185 3.374 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.748 3.499 -0.411 1.00 0.00 H new ATOM 151 N VAL A 13 -3.448 6.123 -4.580 1.00 0.00 N ATOM 152 CA VAL A 13 -2.262 6.658 -5.226 1.00 0.00 C ATOM 153 C VAL A 13 -1.321 7.228 -4.162 1.00 0.00 C ATOM 154 O VAL A 13 -1.667 8.182 -3.468 1.00 0.00 O ATOM 155 CB VAL A 13 -2.662 7.689 -6.283 1.00 0.00 C ATOM 156 CG1 VAL A 13 -2.592 9.110 -5.719 1.00 0.00 C ATOM 157 CG2 VAL A 13 -1.795 7.554 -7.536 1.00 0.00 C ATOM 0 H VAL A 13 -4.146 6.821 -4.324 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.723 5.868 -5.749 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.696 7.492 -6.567 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.881 9.823 -6.491 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.271 9.199 -4.871 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.574 9.322 -5.393 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.100 8.298 -8.271 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.749 7.711 -7.273 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.917 6.556 -7.957 1.00 0.00 H new ATOM 167 N LEU A 14 -0.148 6.618 -4.069 1.00 0.00 N ATOM 168 CA LEU A 14 0.846 7.052 -3.102 1.00 0.00 C ATOM 169 C LEU A 14 1.992 7.754 -3.834 1.00 0.00 C ATOM 170 O LEU A 14 2.238 7.486 -5.009 1.00 0.00 O ATOM 171 CB LEU A 14 1.299 5.876 -2.234 1.00 0.00 C ATOM 172 CG LEU A 14 0.186 5.076 -1.555 1.00 0.00 C ATOM 173 CD1 LEU A 14 0.767 4.040 -0.590 1.00 0.00 C ATOM 174 CD2 LEU A 14 -0.814 6.005 -0.864 1.00 0.00 C ATOM 0 H LEU A 14 0.136 5.827 -4.647 1.00 0.00 H new ATOM 0 HA LEU A 14 0.415 7.779 -2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.882 5.195 -2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.969 6.256 -1.463 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.360 4.530 -2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.045 3.485 -0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.408 3.350 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.352 4.546 0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.595 5.411 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.298 6.597 -0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.262 6.670 -1.602 1.00 0.00 H new ATOM 186 N HIS A 15 2.661 8.638 -3.110 1.00 0.00 N ATOM 187 CA HIS A 15 3.775 9.380 -3.676 1.00 0.00 C ATOM 188 C HIS A 15 5.039 9.111 -2.858 1.00 0.00 C ATOM 189 O HIS A 15 4.963 8.622 -1.732 1.00 0.00 O ATOM 190 CB HIS A 15 3.440 10.869 -3.778 1.00 0.00 C ATOM 191 CG HIS A 15 2.250 11.173 -4.656 1.00 0.00 C ATOM 192 ND1 HIS A 15 2.370 11.502 -5.995 1.00 0.00 N ATOM 193 CD2 HIS A 15 0.915 11.192 -4.373 1.00 0.00 C ATOM 194 CE1 HIS A 15 1.157 11.710 -6.485 1.00 0.00 C ATOM 195 NE2 HIS A 15 0.257 11.517 -5.479 1.00 0.00 N ATOM 0 H HIS A 15 2.453 8.858 -2.136 1.00 0.00 H new ATOM 0 HA HIS A 15 3.964 9.039 -4.694 1.00 0.00 H new ATOM 0 HB2 HIS A 15 3.249 11.257 -2.778 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.309 11.401 -4.165 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.470 10.979 -3.412 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.922 11.984 -7.503 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.756 11.608 -5.563 1.00 0.00 H new ATOM 268 N LEU A 21 7.576 7.540 1.239 1.00 0.00 N ATOM 269 CA LEU A 21 6.210 7.121 0.978 1.00 0.00 C ATOM 270 C LEU A 21 5.295 7.667 2.077 1.00 0.00 C ATOM 271 O LEU A 21 4.274 8.289 1.788 1.00 0.00 O ATOM 272 CB LEU A 21 6.136 5.602 0.814 1.00 0.00 C ATOM 273 CG LEU A 21 6.632 5.046 -0.522 1.00 0.00 C ATOM 274 CD1 LEU A 21 5.924 5.727 -1.695 1.00 0.00 C ATOM 275 CD2 LEU A 21 8.154 5.154 -0.630 1.00 0.00 C ATOM 0 HA LEU A 21 5.858 7.537 0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.716 5.142 1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.100 5.292 0.952 1.00 0.00 H new ATOM 0 HG LEU A 21 6.381 3.986 -0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.295 5.314 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.850 5.555 -1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.122 6.798 -1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.480 4.752 -1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.451 6.200 -0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.617 4.587 0.178 1.00 0.00 H new ATOM 287 N GLY A 22 5.695 7.413 3.314 1.00 0.00 N ATOM 288 CA GLY A 22 4.924 7.871 4.458 1.00 0.00 C ATOM 289 C GLY A 22 4.182 6.708 5.120 1.00 0.00 C ATOM 290 O GLY A 22 3.013 6.838 5.479 1.00 0.00 O ATOM 0 H GLY A 22 6.542 6.896 3.550 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.587 8.343 5.183 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.209 8.629 4.139 1.00 0.00 H new ATOM 294 N PHE A 23 4.891 5.598 5.260 1.00 0.00 N ATOM 295 CA PHE A 23 4.314 4.414 5.872 1.00 0.00 C ATOM 296 C PHE A 23 5.335 3.276 5.936 1.00 0.00 C ATOM 297 O PHE A 23 6.459 3.419 5.456 1.00 0.00 O ATOM 298 CB PHE A 23 3.141 3.981 4.990 1.00 0.00 C ATOM 299 CG PHE A 23 3.554 3.179 3.754 1.00 0.00 C ATOM 300 CD1 PHE A 23 4.545 3.640 2.944 1.00 0.00 C ATOM 301 CD2 PHE A 23 2.931 2.005 3.465 1.00 0.00 C ATOM 302 CE1 PHE A 23 4.929 2.896 1.797 1.00 0.00 C ATOM 303 CE2 PHE A 23 3.315 1.261 2.318 1.00 0.00 C ATOM 304 CZ PHE A 23 4.306 1.722 1.508 1.00 0.00 C ATOM 0 H PHE A 23 5.860 5.494 4.960 1.00 0.00 H new ATOM 0 HA PHE A 23 3.997 4.639 6.890 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.453 3.381 5.586 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.594 4.868 4.669 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.040 4.572 3.173 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.144 1.639 4.108 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.716 3.262 1.154 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.820 0.329 2.089 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.598 1.156 0.636 1.00 0.00 H new ATOM 314 N ASN A 24 4.908 2.173 6.531 1.00 0.00 N ATOM 315 CA ASN A 24 5.772 1.012 6.664 1.00 0.00 C ATOM 316 C ASN A 24 4.966 -0.255 6.367 1.00 0.00 C ATOM 317 O ASN A 24 3.736 -0.234 6.401 1.00 0.00 O ATOM 318 CB ASN A 24 6.325 0.896 8.086 1.00 0.00 C ATOM 319 CG ASN A 24 7.809 0.524 8.068 1.00 0.00 C ATOM 320 OD1 ASN A 24 8.231 -0.420 7.420 1.00 0.00 O ATOM 321 ND2 ASN A 24 8.575 1.316 8.813 1.00 0.00 N ATOM 0 H ASN A 24 3.975 2.058 6.927 1.00 0.00 H new ATOM 0 HA ASN A 24 6.599 1.126 5.963 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.190 1.842 8.611 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.764 0.142 8.638 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.580 1.150 8.866 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.157 2.089 9.331 1.00 0.00 H new ATOM 328 N ILE A 25 5.691 -1.326 6.082 1.00 0.00 N ATOM 329 CA ILE A 25 5.059 -2.599 5.778 1.00 0.00 C ATOM 330 C ILE A 25 5.608 -3.673 6.720 1.00 0.00 C ATOM 331 O ILE A 25 6.700 -3.525 7.266 1.00 0.00 O ATOM 332 CB ILE A 25 5.223 -2.938 4.296 1.00 0.00 C ATOM 333 CG1 ILE A 25 6.530 -2.366 3.743 1.00 0.00 C ATOM 334 CG2 ILE A 25 4.008 -2.475 3.489 1.00 0.00 C ATOM 335 CD1 ILE A 25 6.656 -2.636 2.242 1.00 0.00 C ATOM 0 H ILE A 25 6.711 -1.339 6.055 1.00 0.00 H new ATOM 0 HA ILE A 25 3.984 -2.542 5.950 1.00 0.00 H new ATOM 0 HB ILE A 25 5.280 -4.022 4.199 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.568 -1.292 3.927 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.376 -2.810 4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.151 -2.728 2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.112 -2.971 3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.894 -1.396 3.590 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.594 -2.219 1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.642 -3.711 2.063 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.822 -2.170 1.717 1.00 0.00 H new ATOM 347 N ILE A 26 4.825 -4.730 6.880 1.00 0.00 N ATOM 348 CA ILE A 26 5.219 -5.828 7.746 1.00 0.00 C ATOM 349 C ILE A 26 5.157 -7.139 6.959 1.00 0.00 C ATOM 350 O ILE A 26 4.589 -7.187 5.869 1.00 0.00 O ATOM 351 CB ILE A 26 4.373 -5.835 9.021 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.021 -6.509 8.778 1.00 0.00 C ATOM 353 CG2 ILE A 26 4.216 -4.421 9.583 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.306 -6.796 10.100 1.00 0.00 C ATOM 0 H ILE A 26 3.920 -4.849 6.425 1.00 0.00 H new ATOM 0 HA ILE A 26 6.250 -5.702 8.076 1.00 0.00 H new ATOM 0 HB ILE A 26 4.896 -6.424 9.774 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.398 -5.868 8.155 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.168 -7.440 8.230 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.611 -4.455 10.489 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.199 -4.012 9.818 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.727 -3.788 8.843 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.348 -7.275 9.899 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.921 -7.457 10.710 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.139 -5.860 10.634 1.00 0.00 H new ATOM 555 N GLY A 42 3.112 -12.272 3.396 1.00 0.00 N ATOM 556 CA GLY A 42 2.018 -11.323 3.279 1.00 0.00 C ATOM 557 C GLY A 42 2.477 -9.909 3.637 1.00 0.00 C ATOM 558 O GLY A 42 3.161 -9.709 4.640 1.00 0.00 O ATOM 0 HA2 GLY A 42 1.628 -11.336 2.261 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.201 -11.621 3.937 1.00 0.00 H new ATOM 562 N ILE A 43 2.084 -8.963 2.797 1.00 0.00 N ATOM 563 CA ILE A 43 2.447 -7.572 3.012 1.00 0.00 C ATOM 564 C ILE A 43 1.251 -6.822 3.601 1.00 0.00 C ATOM 565 O ILE A 43 0.141 -6.907 3.076 1.00 0.00 O ATOM 566 CB ILE A 43 2.986 -6.953 1.721 1.00 0.00 C ATOM 567 CG1 ILE A 43 4.092 -7.821 1.116 1.00 0.00 C ATOM 568 CG2 ILE A 43 3.451 -5.514 1.955 1.00 0.00 C ATOM 569 CD1 ILE A 43 5.090 -8.263 2.188 1.00 0.00 C ATOM 0 H ILE A 43 1.518 -9.132 1.966 1.00 0.00 H new ATOM 0 HA ILE A 43 3.258 -7.498 3.736 1.00 0.00 H new ATOM 0 HB ILE A 43 2.173 -6.915 0.996 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.652 -8.697 0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.612 -7.263 0.338 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.829 -5.098 1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.612 -4.913 2.307 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.243 -5.505 2.704 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.865 -8.878 1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.546 -7.385 2.645 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.571 -8.841 2.952 1.00 0.00 H new ATOM 581 N PHE A 44 1.516 -6.106 4.683 1.00 0.00 N ATOM 582 CA PHE A 44 0.475 -5.342 5.349 1.00 0.00 C ATOM 583 C PHE A 44 1.027 -4.024 5.897 1.00 0.00 C ATOM 584 O PHE A 44 2.220 -3.916 6.178 1.00 0.00 O ATOM 585 CB PHE A 44 -0.029 -6.194 6.516 1.00 0.00 C ATOM 586 CG PHE A 44 -0.811 -7.437 6.086 1.00 0.00 C ATOM 587 CD1 PHE A 44 -0.151 -8.518 5.591 1.00 0.00 C ATOM 588 CD2 PHE A 44 -2.166 -7.461 6.198 1.00 0.00 C ATOM 589 CE1 PHE A 44 -0.876 -9.672 5.192 1.00 0.00 C ATOM 590 CE2 PHE A 44 -2.892 -8.614 5.799 1.00 0.00 C ATOM 591 CZ PHE A 44 -2.232 -9.695 5.305 1.00 0.00 C ATOM 0 H PHE A 44 2.437 -6.039 5.116 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.322 -5.106 4.643 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.823 -6.504 7.121 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.665 -5.579 7.153 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.925 -8.499 5.501 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.690 -6.602 6.591 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.352 -10.531 4.799 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.968 -8.632 5.888 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.784 -10.572 5.002 1.00 0.00 H new ATOM 601 N VAL A 45 0.133 -3.056 6.033 1.00 0.00 N ATOM 602 CA VAL A 45 0.516 -1.750 6.542 1.00 0.00 C ATOM 603 C VAL A 45 0.232 -1.690 8.044 1.00 0.00 C ATOM 604 O VAL A 45 -0.920 -1.778 8.466 1.00 0.00 O ATOM 605 CB VAL A 45 -0.199 -0.651 5.754 1.00 0.00 C ATOM 606 CG1 VAL A 45 0.127 0.732 6.323 1.00 0.00 C ATOM 607 CG2 VAL A 45 0.150 -0.728 4.266 1.00 0.00 C ATOM 0 H VAL A 45 -0.855 -3.150 5.800 1.00 0.00 H new ATOM 0 HA VAL A 45 1.585 -1.585 6.406 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.273 -0.810 5.855 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.394 1.495 5.745 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.194 0.782 7.363 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.202 0.905 6.267 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.371 0.064 3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.226 -0.606 4.138 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.155 -1.697 3.870 1.00 0.00 H new ATOM 617 N SER A 46 1.302 -1.540 8.811 1.00 0.00 N ATOM 618 CA SER A 46 1.182 -1.467 10.258 1.00 0.00 C ATOM 619 C SER A 46 1.591 -0.077 10.747 1.00 0.00 C ATOM 620 O SER A 46 1.418 0.248 11.921 1.00 0.00 O ATOM 621 CB SER A 46 2.035 -2.541 10.936 1.00 0.00 C ATOM 622 OG SER A 46 1.823 -2.580 12.345 1.00 0.00 O ATOM 0 H SER A 46 2.256 -1.467 8.458 1.00 0.00 H new ATOM 0 HA SER A 46 0.141 -1.647 10.525 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.800 -3.515 10.507 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.089 -2.349 10.733 1.00 0.00 H new ATOM 0 HG SER A 46 1.703 -1.668 12.683 1.00 0.00 H new ATOM 628 N LYS A 47 2.127 0.707 9.823 1.00 0.00 N ATOM 629 CA LYS A 47 2.563 2.055 10.146 1.00 0.00 C ATOM 630 C LYS A 47 2.204 2.993 8.992 1.00 0.00 C ATOM 631 O LYS A 47 2.219 2.587 7.830 1.00 0.00 O ATOM 632 CB LYS A 47 4.050 2.066 10.507 1.00 0.00 C ATOM 633 CG LYS A 47 4.585 3.497 10.586 1.00 0.00 C ATOM 634 CD LYS A 47 4.101 4.193 11.860 1.00 0.00 C ATOM 635 CE LYS A 47 5.246 4.943 12.543 1.00 0.00 C ATOM 636 NZ LYS A 47 5.192 4.747 14.009 1.00 0.00 N ATOM 0 H LYS A 47 2.269 0.434 8.850 1.00 0.00 H new ATOM 0 HA LYS A 47 2.041 2.422 11.030 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.199 1.565 11.463 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.613 1.504 9.762 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.675 3.483 10.566 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.257 4.060 9.712 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.299 4.890 11.616 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.684 3.455 12.546 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.202 4.588 12.158 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.183 6.006 12.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.976 5.263 14.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.287 5.107 14.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.275 3.733 14.227 1.00 0.00 H new ATOM 650 N ILE A 48 1.889 4.228 9.351 1.00 0.00 N ATOM 651 CA ILE A 48 1.527 5.227 8.360 1.00 0.00 C ATOM 652 C ILE A 48 1.851 6.620 8.903 1.00 0.00 C ATOM 653 O ILE A 48 1.277 7.049 9.903 1.00 0.00 O ATOM 654 CB ILE A 48 0.066 5.057 7.937 1.00 0.00 C ATOM 655 CG1 ILE A 48 -0.111 3.808 7.071 1.00 0.00 C ATOM 656 CG2 ILE A 48 -0.453 6.316 7.240 1.00 0.00 C ATOM 657 CD1 ILE A 48 -1.514 3.759 6.460 1.00 0.00 C ATOM 0 H ILE A 48 1.877 4.560 10.315 1.00 0.00 H new ATOM 0 HA ILE A 48 2.116 5.093 7.453 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.536 4.915 8.835 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.636 3.803 6.277 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.058 2.916 7.674 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.493 6.169 6.950 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.383 7.164 7.921 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.147 6.514 6.352 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.614 2.862 5.849 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.257 3.740 7.257 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.671 4.640 5.838 1.00 0.00 H new ATOM 669 N VAL A 49 2.770 7.287 8.220 1.00 0.00 N ATOM 670 CA VAL A 49 3.177 8.623 8.622 1.00 0.00 C ATOM 671 C VAL A 49 2.052 9.611 8.309 1.00 0.00 C ATOM 672 O VAL A 49 1.692 9.800 7.148 1.00 0.00 O ATOM 673 CB VAL A 49 4.501 8.991 7.948 1.00 0.00 C ATOM 674 CG1 VAL A 49 4.912 10.424 8.294 1.00 0.00 C ATOM 675 CG2 VAL A 49 5.602 7.998 8.324 1.00 0.00 C ATOM 0 H VAL A 49 3.244 6.928 7.391 1.00 0.00 H new ATOM 0 HA VAL A 49 3.353 8.661 9.697 1.00 0.00 H new ATOM 0 HB VAL A 49 4.355 8.936 6.869 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.856 10.661 7.803 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.142 11.116 7.953 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.031 10.518 9.373 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.532 8.282 7.832 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.746 8.006 9.404 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.314 6.997 8.004 1.00 0.00 H new ATOM 685 N ASP A 50 1.527 10.215 9.365 1.00 0.00 N ATOM 686 CA ASP A 50 0.449 11.179 9.217 1.00 0.00 C ATOM 687 C ASP A 50 0.868 12.256 8.214 1.00 0.00 C ATOM 688 O ASP A 50 0.241 12.413 7.168 1.00 0.00 O ATOM 689 CB ASP A 50 0.139 11.867 10.548 1.00 0.00 C ATOM 690 CG ASP A 50 -0.718 11.048 11.515 1.00 0.00 C ATOM 691 OD1 ASP A 50 -1.025 9.890 11.159 1.00 0.00 O ATOM 692 OD2 ASP A 50 -1.047 11.599 12.588 1.00 0.00 O ATOM 0 H ASP A 50 1.828 10.056 10.327 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.436 10.645 8.872 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.080 12.114 11.040 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.370 12.809 10.343 1.00 0.00 H new ATOM 697 N SER A 51 1.926 12.970 8.569 1.00 0.00 N ATOM 698 CA SER A 51 2.436 14.028 7.713 1.00 0.00 C ATOM 699 C SER A 51 2.892 13.444 6.374 1.00 0.00 C ATOM 700 O SER A 51 3.115 14.181 5.415 1.00 0.00 O ATOM 701 CB SER A 51 3.590 14.774 8.387 1.00 0.00 C ATOM 702 OG SER A 51 3.519 16.179 8.164 1.00 0.00 O ATOM 0 H SER A 51 2.444 12.837 9.437 1.00 0.00 H new ATOM 0 HA SER A 51 1.632 14.742 7.536 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.573 14.576 9.459 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.538 14.394 8.007 1.00 0.00 H new ATOM 0 HG SER A 51 4.271 16.620 8.611 1.00 0.00 H new ATOM 708 N GLY A 52 3.016 12.125 6.352 1.00 0.00 N ATOM 709 CA GLY A 52 3.442 11.434 5.147 1.00 0.00 C ATOM 710 C GLY A 52 2.448 11.660 4.005 1.00 0.00 C ATOM 711 O GLY A 52 1.268 11.910 4.245 1.00 0.00 O ATOM 0 H GLY A 52 2.829 11.517 7.149 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.429 11.788 4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.533 10.367 5.349 1.00 0.00 H new ATOM 715 N PRO A 53 2.976 11.563 2.756 1.00 0.00 N ATOM 716 CA PRO A 53 2.149 11.754 1.577 1.00 0.00 C ATOM 717 C PRO A 53 1.255 10.538 1.331 1.00 0.00 C ATOM 718 O PRO A 53 0.453 10.531 0.398 1.00 0.00 O ATOM 719 CB PRO A 53 3.131 12.008 0.445 1.00 0.00 C ATOM 720 CG PRO A 53 4.474 11.491 0.934 1.00 0.00 C ATOM 721 CD PRO A 53 4.370 11.268 2.434 1.00 0.00 C ATOM 0 HA PRO A 53 1.456 12.589 1.680 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.821 11.492 -0.464 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.185 13.070 0.206 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.733 10.561 0.427 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.264 12.208 0.709 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.630 10.244 2.701 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.050 11.922 2.980 1.00 0.00 H new ATOM 729 N ALA A 54 1.422 9.538 2.184 1.00 0.00 N ATOM 730 CA ALA A 54 0.640 8.319 2.072 1.00 0.00 C ATOM 731 C ALA A 54 -0.650 8.469 2.880 1.00 0.00 C ATOM 732 O ALA A 54 -1.683 7.907 2.519 1.00 0.00 O ATOM 733 CB ALA A 54 1.481 7.127 2.533 1.00 0.00 C ATOM 0 H ALA A 54 2.088 9.547 2.956 1.00 0.00 H new ATOM 0 HA ALA A 54 0.360 8.138 1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.893 6.213 2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.370 7.046 1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.779 7.272 3.571 1.00 0.00 H new ATOM 739 N ALA A 55 -0.549 9.232 3.959 1.00 0.00 N ATOM 740 CA ALA A 55 -1.695 9.463 4.822 1.00 0.00 C ATOM 741 C ALA A 55 -2.423 10.730 4.367 1.00 0.00 C ATOM 742 O ALA A 55 -3.640 10.837 4.513 1.00 0.00 O ATOM 743 CB ALA A 55 -1.230 9.549 6.277 1.00 0.00 C ATOM 0 H ALA A 55 0.309 9.698 4.255 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.400 8.634 4.754 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.090 9.722 6.924 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.745 8.615 6.560 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.523 10.372 6.385 1.00 0.00 H new ATOM 749 N LYS A 56 -1.648 11.657 3.824 1.00 0.00 N ATOM 750 CA LYS A 56 -2.204 12.911 3.347 1.00 0.00 C ATOM 751 C LYS A 56 -3.202 12.627 2.223 1.00 0.00 C ATOM 752 O LYS A 56 -4.407 12.562 2.461 1.00 0.00 O ATOM 753 CB LYS A 56 -1.085 13.875 2.946 1.00 0.00 C ATOM 754 CG LYS A 56 -0.427 14.495 4.180 1.00 0.00 C ATOM 755 CD LYS A 56 -1.239 15.685 4.695 1.00 0.00 C ATOM 756 CE LYS A 56 -1.003 16.925 3.831 1.00 0.00 C ATOM 757 NZ LYS A 56 -1.724 18.091 4.389 1.00 0.00 N ATOM 0 H LYS A 56 -0.639 11.564 3.704 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.754 13.411 4.144 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.336 13.344 2.358 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.489 14.663 2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.338 13.744 4.965 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.584 14.820 3.933 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.300 15.434 4.694 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.963 15.899 5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.064 17.141 3.778 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.340 16.735 2.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.553 18.924 3.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.744 17.888 4.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.383 18.281 5.353 1.00 0.00 H new ATOM 771 N GLU A 57 -2.664 12.466 1.023 1.00 0.00 N ATOM 772 CA GLU A 57 -3.493 12.190 -0.138 1.00 0.00 C ATOM 773 C GLU A 57 -3.434 10.702 -0.491 1.00 0.00 C ATOM 774 O GLU A 57 -4.357 10.170 -1.105 1.00 0.00 O ATOM 775 CB GLU A 57 -3.074 13.053 -1.329 1.00 0.00 C ATOM 776 CG GLU A 57 -3.274 14.540 -1.026 1.00 0.00 C ATOM 777 CD GLU A 57 -2.799 15.406 -2.194 1.00 0.00 C ATOM 778 OE1 GLU A 57 -1.685 15.129 -2.690 1.00 0.00 O ATOM 779 OE2 GLU A 57 -3.560 16.326 -2.565 1.00 0.00 O ATOM 0 H GLU A 57 -1.664 12.521 0.830 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.524 12.445 0.108 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.028 12.865 -1.569 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.657 12.775 -2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.328 14.736 -0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.725 14.808 -0.123 1.00 0.00 H new ATOM 786 N GLY A 58 -2.340 10.074 -0.087 1.00 0.00 N ATOM 787 CA GLY A 58 -2.148 8.659 -0.354 1.00 0.00 C ATOM 788 C GLY A 58 -3.486 7.917 -0.364 1.00 0.00 C ATOM 789 O GLY A 58 -3.892 7.375 -1.392 1.00 0.00 O ATOM 0 H GLY A 58 -1.577 10.519 0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.650 8.531 -1.315 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.494 8.228 0.404 1.00 0.00 H new ATOM 793 N GLY A 59 -4.135 7.916 0.791 1.00 0.00 N ATOM 794 CA GLY A 59 -5.419 7.249 0.927 1.00 0.00 C ATOM 795 C GLY A 59 -5.263 5.897 1.626 1.00 0.00 C ATOM 796 O GLY A 59 -6.238 5.165 1.795 1.00 0.00 O ATOM 0 H GLY A 59 -3.796 8.366 1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.102 7.880 1.496 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.864 7.104 -0.058 1.00 0.00 H new ATOM 800 N LEU A 60 -4.031 5.606 2.015 1.00 0.00 N ATOM 801 CA LEU A 60 -3.735 4.355 2.692 1.00 0.00 C ATOM 802 C LEU A 60 -4.425 4.343 4.057 1.00 0.00 C ATOM 803 O LEU A 60 -5.000 5.347 4.475 1.00 0.00 O ATOM 804 CB LEU A 60 -2.223 4.130 2.765 1.00 0.00 C ATOM 805 CG LEU A 60 -1.770 2.681 2.959 1.00 0.00 C ATOM 806 CD1 LEU A 60 -2.606 1.726 2.107 1.00 0.00 C ATOM 807 CD2 LEU A 60 -0.272 2.534 2.683 1.00 0.00 C ATOM 0 H LEU A 60 -3.225 6.215 1.874 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.133 3.512 2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.774 4.511 1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.826 4.727 3.586 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.934 2.408 4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.263 0.703 2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.654 1.805 2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.497 1.988 1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.024 1.495 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.060 2.832 1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.288 3.170 3.368 1.00 0.00 H new ATOM 819 N GLN A 61 -4.345 3.196 4.715 1.00 0.00 N ATOM 820 CA GLN A 61 -4.955 3.040 6.025 1.00 0.00 C ATOM 821 C GLN A 61 -4.326 1.859 6.766 1.00 0.00 C ATOM 822 O GLN A 61 -4.323 0.737 6.263 1.00 0.00 O ATOM 823 CB GLN A 61 -6.471 2.870 5.907 1.00 0.00 C ATOM 824 CG GLN A 61 -7.205 3.842 6.832 1.00 0.00 C ATOM 825 CD GLN A 61 -8.312 4.584 6.081 1.00 0.00 C ATOM 826 OE1 GLN A 61 -8.150 5.708 5.635 1.00 0.00 O ATOM 827 NE2 GLN A 61 -9.444 3.894 5.965 1.00 0.00 N ATOM 0 H GLN A 61 -3.867 2.365 4.366 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.768 3.946 6.602 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.780 3.040 4.876 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.746 1.846 6.158 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.634 3.296 7.672 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.497 4.560 7.246 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.513 2.957 6.362 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.243 4.302 5.479 1.00 0.00 H new ATOM 836 N ILE A 62 -3.809 2.152 7.950 1.00 0.00 N ATOM 837 CA ILE A 62 -3.179 1.128 8.766 1.00 0.00 C ATOM 838 C ILE A 62 -4.005 -0.158 8.691 1.00 0.00 C ATOM 839 O ILE A 62 -5.203 -0.115 8.413 1.00 0.00 O ATOM 840 CB ILE A 62 -2.962 1.637 10.192 1.00 0.00 C ATOM 841 CG1 ILE A 62 -2.183 2.954 10.192 1.00 0.00 C ATOM 842 CG2 ILE A 62 -2.287 0.571 11.058 1.00 0.00 C ATOM 843 CD1 ILE A 62 -1.397 3.126 11.493 1.00 0.00 C ATOM 0 H ILE A 62 -3.813 3.084 8.364 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.186 0.893 8.382 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.937 1.840 10.634 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.499 2.976 9.344 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.873 3.789 10.067 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.144 0.959 12.067 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.916 -0.318 11.097 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.319 0.312 10.628 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.852 4.070 11.467 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.087 3.128 12.337 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.691 2.303 11.603 1.00 0.00 H new ATOM 855 N HIS A 63 -3.333 -1.271 8.943 1.00 0.00 N ATOM 856 CA HIS A 63 -3.990 -2.567 8.907 1.00 0.00 C ATOM 857 C HIS A 63 -4.627 -2.781 7.533 1.00 0.00 C ATOM 858 O HIS A 63 -5.798 -3.146 7.438 1.00 0.00 O ATOM 859 CB HIS A 63 -4.994 -2.698 10.054 1.00 0.00 C ATOM 860 CG HIS A 63 -4.559 -2.023 11.332 1.00 0.00 C ATOM 861 ND1 HIS A 63 -3.490 -2.469 12.090 1.00 0.00 N ATOM 862 CD2 HIS A 63 -5.058 -0.929 11.977 1.00 0.00 C ATOM 863 CE1 HIS A 63 -3.361 -1.674 13.141 1.00 0.00 C ATOM 864 NE2 HIS A 63 -4.335 -0.720 13.070 1.00 0.00 N ATOM 0 H HIS A 63 -2.340 -1.303 9.173 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.254 -3.357 9.054 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.948 -2.275 9.738 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.165 -3.756 10.254 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.899 -0.334 11.653 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.616 -1.764 13.918 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -4.483 0.030 13.746 1.00 0.00 H new ATOM 872 N ASP A 64 -3.828 -2.546 6.503 1.00 0.00 N ATOM 873 CA ASP A 64 -4.299 -2.709 5.138 1.00 0.00 C ATOM 874 C ASP A 64 -3.322 -3.601 4.368 1.00 0.00 C ATOM 875 O ASP A 64 -2.135 -3.293 4.279 1.00 0.00 O ATOM 876 CB ASP A 64 -4.378 -1.362 4.417 1.00 0.00 C ATOM 877 CG ASP A 64 -5.714 -0.631 4.557 1.00 0.00 C ATOM 878 OD1 ASP A 64 -6.628 -1.229 5.165 1.00 0.00 O ATOM 879 OD2 ASP A 64 -5.792 0.510 4.052 1.00 0.00 O ATOM 0 H ASP A 64 -2.857 -2.244 6.586 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.292 -3.156 5.176 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.586 -0.716 4.797 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.178 -1.522 3.358 1.00 0.00 H new ATOM 884 N ARG A 65 -3.859 -4.687 3.833 1.00 0.00 N ATOM 885 CA ARG A 65 -3.049 -5.625 3.074 1.00 0.00 C ATOM 886 C ARG A 65 -2.946 -5.178 1.614 1.00 0.00 C ATOM 887 O ARG A 65 -3.910 -5.290 0.858 1.00 0.00 O ATOM 888 CB ARG A 65 -3.642 -7.035 3.128 1.00 0.00 C ATOM 889 CG ARG A 65 -2.627 -8.076 2.652 1.00 0.00 C ATOM 890 CD ARG A 65 -3.327 -9.365 2.218 1.00 0.00 C ATOM 891 NE ARG A 65 -2.420 -10.174 1.374 1.00 0.00 N ATOM 892 CZ ARG A 65 -2.666 -11.438 1.004 1.00 0.00 C ATOM 893 NH1 ARG A 65 -3.792 -12.046 1.401 1.00 0.00 N ATOM 894 NH2 ARG A 65 -1.785 -12.096 0.237 1.00 0.00 N ATOM 0 H ARG A 65 -4.844 -4.939 3.910 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.056 -5.643 3.523 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.952 -7.264 4.148 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.535 -7.082 2.505 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.050 -7.673 1.819 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.921 -8.293 3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.628 -9.938 3.095 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.236 -9.127 1.665 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.553 -9.742 1.054 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.463 -11.547 1.985 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.979 -13.008 1.119 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.927 -11.634 -0.065 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.973 -13.058 -0.044 1.00 0.00 H new ATOM 908 N ILE A 66 -1.770 -4.682 1.262 1.00 0.00 N ATOM 909 CA ILE A 66 -1.529 -4.218 -0.093 1.00 0.00 C ATOM 910 C ILE A 66 -1.686 -5.389 -1.065 1.00 0.00 C ATOM 911 O ILE A 66 -1.324 -6.520 -0.743 1.00 0.00 O ATOM 912 CB ILE A 66 -0.171 -3.519 -0.187 1.00 0.00 C ATOM 913 CG1 ILE A 66 0.083 -2.647 1.044 1.00 0.00 C ATOM 914 CG2 ILE A 66 -0.053 -2.722 -1.488 1.00 0.00 C ATOM 915 CD1 ILE A 66 1.108 -1.553 0.739 1.00 0.00 C ATOM 0 H ILE A 66 -0.973 -4.591 1.892 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.268 -3.468 -0.375 1.00 0.00 H new ATOM 0 HB ILE A 66 0.606 -4.283 -0.206 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.852 -2.193 1.372 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.441 -3.267 1.866 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.921 -2.235 -1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.158 -3.396 -2.338 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.838 -1.966 -1.524 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.270 -0.948 1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.049 -2.011 0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.736 -0.920 -0.067 1.00 0.00 H new ATOM 927 N ILE A 67 -2.226 -5.079 -2.234 1.00 0.00 N ATOM 928 CA ILE A 67 -2.435 -6.092 -3.254 1.00 0.00 C ATOM 929 C ILE A 67 -1.477 -5.841 -4.420 1.00 0.00 C ATOM 930 O ILE A 67 -0.794 -6.758 -4.875 1.00 0.00 O ATOM 931 CB ILE A 67 -3.908 -6.140 -3.668 1.00 0.00 C ATOM 932 CG1 ILE A 67 -4.813 -5.670 -2.527 1.00 0.00 C ATOM 933 CG2 ILE A 67 -4.292 -7.534 -4.168 1.00 0.00 C ATOM 934 CD1 ILE A 67 -4.843 -6.696 -1.393 1.00 0.00 C ATOM 0 H ILE A 67 -2.525 -4.140 -2.498 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.206 -7.082 -2.860 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.052 -5.450 -4.499 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.457 -4.713 -2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.823 -5.508 -2.903 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.343 -7.541 -4.456 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.678 -7.793 -5.031 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.128 -8.263 -3.374 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.493 -6.337 -0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.222 -7.645 -1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.835 -6.837 -1.003 1.00 0.00 H new ATOM 946 N GLU A 68 -1.457 -4.595 -4.870 1.00 0.00 N ATOM 947 CA GLU A 68 -0.593 -4.213 -5.974 1.00 0.00 C ATOM 948 C GLU A 68 -0.035 -2.806 -5.749 1.00 0.00 C ATOM 949 O GLU A 68 -0.660 -1.987 -5.077 1.00 0.00 O ATOM 950 CB GLU A 68 -1.337 -4.300 -7.308 1.00 0.00 C ATOM 951 CG GLU A 68 -0.585 -5.191 -8.299 1.00 0.00 C ATOM 952 CD GLU A 68 -1.349 -6.491 -8.556 1.00 0.00 C ATOM 953 OE1 GLU A 68 -1.659 -7.174 -7.556 1.00 0.00 O ATOM 954 OE2 GLU A 68 -1.604 -6.774 -9.746 1.00 0.00 O ATOM 0 H GLU A 68 -2.025 -3.837 -4.490 1.00 0.00 H new ATOM 0 HA GLU A 68 0.242 -4.912 -6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.339 -4.697 -7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.455 -3.301 -7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.443 -4.657 -9.238 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.407 -5.419 -7.909 1.00 0.00 H new ATOM 961 N VAL A 69 1.135 -2.569 -6.324 1.00 0.00 N ATOM 962 CA VAL A 69 1.784 -1.275 -6.194 1.00 0.00 C ATOM 963 C VAL A 69 2.442 -0.904 -7.525 1.00 0.00 C ATOM 964 O VAL A 69 3.365 -1.580 -7.975 1.00 0.00 O ATOM 965 CB VAL A 69 2.772 -1.300 -5.026 1.00 0.00 C ATOM 966 CG1 VAL A 69 4.196 -1.566 -5.517 1.00 0.00 C ATOM 967 CG2 VAL A 69 2.703 -0.001 -4.221 1.00 0.00 C ATOM 0 H VAL A 69 1.650 -3.251 -6.881 1.00 0.00 H new ATOM 0 HA VAL A 69 1.051 -0.501 -5.966 1.00 0.00 H new ATOM 0 HB VAL A 69 2.488 -2.119 -4.365 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.878 -1.579 -4.667 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.232 -2.530 -6.025 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.495 -0.779 -6.210 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.415 -0.045 -3.397 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.948 0.841 -4.868 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.696 0.128 -3.824 1.00 0.00 H new ATOM 977 N ASN A 70 1.940 0.171 -8.116 1.00 0.00 N ATOM 978 CA ASN A 70 2.468 0.640 -9.386 1.00 0.00 C ATOM 979 C ASN A 70 2.297 -0.455 -10.440 1.00 0.00 C ATOM 980 O ASN A 70 2.918 -0.402 -11.501 1.00 0.00 O ATOM 981 CB ASN A 70 3.959 0.964 -9.277 1.00 0.00 C ATOM 982 CG ASN A 70 4.366 2.024 -10.303 1.00 0.00 C ATOM 983 OD1 ASN A 70 4.583 3.227 -9.781 1.00 0.00 O flip ATOM 984 ND2 ASN A 70 4.476 1.766 -11.490 1.00 0.00 N flip ATOM 0 H ASN A 70 1.174 0.730 -7.739 1.00 0.00 H new ATOM 0 HA ASN A 70 1.923 1.542 -9.665 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.185 1.320 -8.272 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.544 0.058 -9.433 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.294 0.820 -11.825 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.750 2.496 -12.147 1.00 0.00 H new ATOM 991 N GLY A 71 1.454 -1.422 -10.112 1.00 0.00 N ATOM 992 CA GLY A 71 1.194 -2.529 -11.017 1.00 0.00 C ATOM 993 C GLY A 71 1.963 -3.780 -10.589 1.00 0.00 C ATOM 994 O GLY A 71 1.828 -4.837 -11.203 1.00 0.00 O ATOM 0 H GLY A 71 0.941 -1.462 -9.231 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.126 -2.744 -11.037 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.482 -2.250 -12.031 1.00 0.00 H new ATOM 998 N ARG A 72 2.755 -3.619 -9.538 1.00 0.00 N ATOM 999 CA ARG A 72 3.546 -4.722 -9.021 1.00 0.00 C ATOM 1000 C ARG A 72 2.798 -5.423 -7.884 1.00 0.00 C ATOM 1001 O ARG A 72 2.406 -4.786 -6.908 1.00 0.00 O ATOM 1002 CB ARG A 72 4.901 -4.234 -8.506 1.00 0.00 C ATOM 1003 CG ARG A 72 6.045 -5.042 -9.122 1.00 0.00 C ATOM 1004 CD ARG A 72 7.319 -4.916 -8.284 1.00 0.00 C ATOM 1005 NE ARG A 72 8.509 -4.968 -9.162 1.00 0.00 N ATOM 1006 CZ ARG A 72 9.751 -5.228 -8.729 1.00 0.00 C ATOM 1007 NH1 ARG A 72 9.972 -5.460 -7.428 1.00 0.00 N ATOM 1008 NH2 ARG A 72 10.771 -5.255 -9.598 1.00 0.00 N ATOM 0 H ARG A 72 2.865 -2.741 -9.031 1.00 0.00 H new ATOM 0 HA ARG A 72 3.712 -5.423 -9.839 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.026 -3.178 -8.746 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.934 -4.320 -7.420 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.756 -6.090 -9.195 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.237 -4.692 -10.136 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.307 -3.978 -7.728 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.363 -5.721 -7.550 1.00 0.00 H new ATOM 0 HE ARG A 72 8.376 -4.795 -10.158 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.195 -5.439 -6.767 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.917 -5.658 -7.099 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.602 -5.078 -10.588 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.716 -5.453 -9.269 1.00 0.00 H new ATOM 1022 N ASP A 73 2.624 -6.726 -8.049 1.00 0.00 N ATOM 1023 CA ASP A 73 1.931 -7.521 -7.049 1.00 0.00 C ATOM 1024 C ASP A 73 2.874 -7.790 -5.874 1.00 0.00 C ATOM 1025 O ASP A 73 3.994 -8.259 -6.068 1.00 0.00 O ATOM 1026 CB ASP A 73 1.495 -8.870 -7.624 1.00 0.00 C ATOM 1027 CG ASP A 73 1.224 -9.959 -6.583 1.00 0.00 C ATOM 1028 OD1 ASP A 73 2.219 -10.483 -6.037 1.00 0.00 O ATOM 1029 OD2 ASP A 73 0.027 -10.242 -6.358 1.00 0.00 O ATOM 0 H ASP A 73 2.951 -7.251 -8.860 1.00 0.00 H new ATOM 0 HA ASP A 73 1.051 -6.965 -6.726 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.592 -8.721 -8.216 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.268 -9.224 -8.306 1.00 0.00 H new ATOM 1034 N LEU A 74 2.385 -7.481 -4.682 1.00 0.00 N ATOM 1035 CA LEU A 74 3.170 -7.683 -3.476 1.00 0.00 C ATOM 1036 C LEU A 74 2.385 -8.566 -2.504 1.00 0.00 C ATOM 1037 O LEU A 74 2.843 -8.833 -1.394 1.00 0.00 O ATOM 1038 CB LEU A 74 3.595 -6.339 -2.882 1.00 0.00 C ATOM 1039 CG LEU A 74 3.969 -5.249 -3.887 1.00 0.00 C ATOM 1040 CD1 LEU A 74 4.276 -3.929 -3.177 1.00 0.00 C ATOM 1041 CD2 LEU A 74 5.126 -5.701 -4.781 1.00 0.00 C ATOM 0 H LEU A 74 1.455 -7.092 -4.526 1.00 0.00 H new ATOM 0 HA LEU A 74 4.096 -8.209 -3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.782 -5.967 -2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.449 -6.508 -2.226 1.00 0.00 H new ATOM 0 HG LEU A 74 3.110 -5.074 -4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.539 -3.171 -3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.398 -3.603 -2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.110 -4.071 -2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.372 -4.907 -5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.997 -5.922 -4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.834 -6.596 -5.330 1.00 0.00 H new ATOM 1053 N SER A 75 1.215 -8.994 -2.956 1.00 0.00 N ATOM 1054 CA SER A 75 0.362 -9.841 -2.140 1.00 0.00 C ATOM 1055 C SER A 75 1.138 -11.077 -1.680 1.00 0.00 C ATOM 1056 O SER A 75 0.989 -11.519 -0.541 1.00 0.00 O ATOM 1057 CB SER A 75 -0.895 -10.258 -2.906 1.00 0.00 C ATOM 1058 OG SER A 75 -1.565 -11.348 -2.280 1.00 0.00 O ATOM 0 H SER A 75 0.838 -8.770 -3.877 1.00 0.00 H new ATOM 0 HA SER A 75 0.049 -9.270 -1.266 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.574 -9.408 -2.978 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.623 -10.536 -3.924 1.00 0.00 H new ATOM 0 HG SER A 75 -2.363 -11.583 -2.799 1.00 0.00 H new ATOM 1064 N ARG A 76 1.948 -11.600 -2.588 1.00 0.00 N ATOM 1065 CA ARG A 76 2.747 -12.776 -2.290 1.00 0.00 C ATOM 1066 C ARG A 76 4.232 -12.411 -2.244 1.00 0.00 C ATOM 1067 O ARG A 76 5.092 -13.276 -2.401 1.00 0.00 O ATOM 1068 CB ARG A 76 2.529 -13.870 -3.337 1.00 0.00 C ATOM 1069 CG ARG A 76 2.862 -13.360 -4.740 1.00 0.00 C ATOM 1070 CD ARG A 76 3.495 -14.464 -5.589 1.00 0.00 C ATOM 1071 NE ARG A 76 3.682 -13.989 -6.979 1.00 0.00 N ATOM 1072 CZ ARG A 76 2.728 -14.024 -7.919 1.00 0.00 C ATOM 1073 NH1 ARG A 76 1.515 -14.512 -7.626 1.00 0.00 N ATOM 1074 NH2 ARG A 76 2.988 -13.572 -9.154 1.00 0.00 N ATOM 0 H ARG A 76 2.068 -11.231 -3.531 1.00 0.00 H new ATOM 0 HA ARG A 76 2.432 -13.153 -1.317 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.153 -14.733 -3.102 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.493 -14.208 -3.305 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.955 -12.999 -5.224 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.545 -12.513 -4.670 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.455 -14.756 -5.163 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.860 -15.350 -5.581 1.00 0.00 H new ATOM 0 HE ARG A 76 4.594 -13.612 -7.237 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.317 -14.857 -6.687 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.789 -14.538 -8.342 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.912 -13.202 -9.378 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.262 -13.598 -9.870 1.00 0.00 H new ATOM 1088 N ALA A 77 4.488 -11.129 -2.030 1.00 0.00 N ATOM 1089 CA ALA A 77 5.854 -10.639 -1.962 1.00 0.00 C ATOM 1090 C ALA A 77 6.271 -10.506 -0.496 1.00 0.00 C ATOM 1091 O ALA A 77 5.485 -10.793 0.405 1.00 0.00 O ATOM 1092 CB ALA A 77 5.960 -9.315 -2.721 1.00 0.00 C ATOM 0 H ALA A 77 3.772 -10.414 -1.901 1.00 0.00 H new ATOM 0 HA ALA A 77 6.538 -11.342 -2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.985 -8.947 -2.670 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.682 -9.470 -3.763 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.289 -8.583 -2.271 1.00 0.00 H new ATOM 1098 N THR A 78 7.507 -10.069 -0.303 1.00 0.00 N ATOM 1099 CA THR A 78 8.038 -9.894 1.038 1.00 0.00 C ATOM 1100 C THR A 78 8.350 -8.419 1.300 1.00 0.00 C ATOM 1101 O THR A 78 8.199 -7.582 0.411 1.00 0.00 O ATOM 1102 CB THR A 78 9.256 -10.808 1.187 1.00 0.00 C ATOM 1103 OG1 THR A 78 10.316 -10.076 0.579 1.00 0.00 O ATOM 1104 CG2 THR A 78 9.144 -12.077 0.339 1.00 0.00 C ATOM 0 H THR A 78 8.156 -9.831 -1.053 1.00 0.00 H new ATOM 0 HA THR A 78 7.306 -10.178 1.794 1.00 0.00 H new ATOM 0 HB THR A 78 9.378 -11.082 2.235 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.145 -10.596 0.633 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.034 -12.690 0.482 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.262 -12.641 0.643 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.056 -11.805 -0.713 1.00 0.00 H new ATOM 1112 N HIS A 79 8.779 -8.146 2.523 1.00 0.00 N ATOM 1113 CA HIS A 79 9.113 -6.787 2.913 1.00 0.00 C ATOM 1114 C HIS A 79 10.239 -6.260 2.022 1.00 0.00 C ATOM 1115 O HIS A 79 10.287 -5.070 1.714 1.00 0.00 O ATOM 1116 CB HIS A 79 9.454 -6.717 4.403 1.00 0.00 C ATOM 1117 CG HIS A 79 9.678 -5.315 4.917 1.00 0.00 C ATOM 1118 ND1 HIS A 79 8.811 -4.421 5.473 1.00 0.00 N flip ATOM 1119 CD2 HIS A 79 10.914 -4.694 4.887 1.00 0.00 C flip ATOM 1120 CE1 HIS A 79 9.481 -3.314 5.767 1.00 0.00 C flip ATOM 1121 NE2 HIS A 79 10.785 -3.481 5.404 1.00 0.00 N flip ATOM 0 H HIS A 79 8.903 -8.843 3.257 1.00 0.00 H new ATOM 0 HA HIS A 79 8.248 -6.140 2.767 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.646 -7.177 4.972 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.351 -7.308 4.588 1.00 0.00 H new ATOM 0 HD1 HIS A 79 7.816 -4.577 5.635 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.828 -5.125 4.507 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.063 -2.427 6.219 1.00 0.00 H new ATOM 1129 N ASP A 80 11.119 -7.171 1.633 1.00 0.00 N ATOM 1130 CA ASP A 80 12.242 -6.813 0.784 1.00 0.00 C ATOM 1131 C ASP A 80 11.720 -6.371 -0.585 1.00 0.00 C ATOM 1132 O ASP A 80 12.072 -5.297 -1.070 1.00 0.00 O ATOM 1133 CB ASP A 80 13.174 -8.007 0.570 1.00 0.00 C ATOM 1134 CG ASP A 80 14.481 -7.957 1.364 1.00 0.00 C ATOM 1135 OD1 ASP A 80 14.662 -6.961 2.098 1.00 0.00 O ATOM 1136 OD2 ASP A 80 15.270 -8.916 1.220 1.00 0.00 O ATOM 0 H ASP A 80 11.077 -8.157 1.891 1.00 0.00 H new ATOM 0 HA ASP A 80 12.792 -6.009 1.274 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.639 -8.919 0.836 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.413 -8.076 -0.491 1.00 0.00 H new ATOM 1141 N GLN A 81 10.888 -7.221 -1.169 1.00 0.00 N ATOM 1142 CA GLN A 81 10.315 -6.931 -2.472 1.00 0.00 C ATOM 1143 C GLN A 81 9.372 -5.730 -2.381 1.00 0.00 C ATOM 1144 O GLN A 81 9.481 -4.789 -3.167 1.00 0.00 O ATOM 1145 CB GLN A 81 9.590 -8.155 -3.036 1.00 0.00 C ATOM 1146 CG GLN A 81 10.586 -9.245 -3.436 1.00 0.00 C ATOM 1147 CD GLN A 81 10.425 -9.622 -4.910 1.00 0.00 C ATOM 1148 OE1 GLN A 81 10.740 -8.860 -5.810 1.00 0.00 O ATOM 1149 NE2 GLN A 81 9.917 -10.835 -5.107 1.00 0.00 N ATOM 0 H GLN A 81 10.597 -8.111 -0.764 1.00 0.00 H new ATOM 0 HA GLN A 81 11.125 -6.681 -3.157 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.896 -8.546 -2.292 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.997 -7.864 -3.903 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.603 -8.897 -3.255 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.435 -10.127 -2.813 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.675 -11.422 -4.309 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.770 -11.178 -6.056 1.00 0.00 H new ATOM 1158 N ALA A 82 8.467 -5.800 -1.416 1.00 0.00 N ATOM 1159 CA ALA A 82 7.505 -4.729 -1.212 1.00 0.00 C ATOM 1160 C ALA A 82 8.247 -3.394 -1.122 1.00 0.00 C ATOM 1161 O ALA A 82 7.889 -2.434 -1.803 1.00 0.00 O ATOM 1162 CB ALA A 82 6.675 -5.020 0.039 1.00 0.00 C ATOM 0 H ALA A 82 8.379 -6.582 -0.766 1.00 0.00 H new ATOM 0 HA ALA A 82 6.815 -4.667 -2.054 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.954 -4.217 0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.145 -5.964 -0.087 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.333 -5.086 0.905 1.00 0.00 H new ATOM 1168 N VAL A 83 9.267 -3.375 -0.276 1.00 0.00 N ATOM 1169 CA VAL A 83 10.062 -2.174 -0.089 1.00 0.00 C ATOM 1170 C VAL A 83 10.636 -1.732 -1.436 1.00 0.00 C ATOM 1171 O VAL A 83 10.426 -0.598 -1.863 1.00 0.00 O ATOM 1172 CB VAL A 83 11.139 -2.419 0.969 1.00 0.00 C ATOM 1173 CG1 VAL A 83 12.199 -1.316 0.939 1.00 0.00 C ATOM 1174 CG2 VAL A 83 10.521 -2.547 2.363 1.00 0.00 C ATOM 0 H VAL A 83 9.561 -4.173 0.288 1.00 0.00 H new ATOM 0 HA VAL A 83 9.441 -1.359 0.282 1.00 0.00 H new ATOM 0 HB VAL A 83 11.630 -3.363 0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.953 -1.515 1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.673 -1.293 -0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.728 -0.353 1.137 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.309 -2.721 3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.991 -1.628 2.612 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.823 -3.384 2.376 1.00 0.00 H new ATOM 1184 N GLU A 84 11.350 -2.651 -2.069 1.00 0.00 N ATOM 1185 CA GLU A 84 11.957 -2.371 -3.359 1.00 0.00 C ATOM 1186 C GLU A 84 10.905 -1.845 -4.337 1.00 0.00 C ATOM 1187 O GLU A 84 11.180 -0.940 -5.124 1.00 0.00 O ATOM 1188 CB GLU A 84 12.653 -3.613 -3.919 1.00 0.00 C ATOM 1189 CG GLU A 84 13.265 -3.326 -5.292 1.00 0.00 C ATOM 1190 CD GLU A 84 14.546 -4.136 -5.502 1.00 0.00 C ATOM 1191 OE1 GLU A 84 14.530 -5.330 -5.130 1.00 0.00 O ATOM 1192 OE2 GLU A 84 15.512 -3.544 -6.029 1.00 0.00 O ATOM 0 H GLU A 84 11.522 -3.591 -1.712 1.00 0.00 H new ATOM 0 HA GLU A 84 12.716 -1.601 -3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.432 -3.939 -3.230 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.937 -4.430 -4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.545 -3.569 -6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.485 -2.262 -5.381 1.00 0.00 H new ATOM 1199 N ALA A 85 9.721 -2.434 -4.256 1.00 0.00 N ATOM 1200 CA ALA A 85 8.626 -2.035 -5.124 1.00 0.00 C ATOM 1201 C ALA A 85 8.323 -0.551 -4.908 1.00 0.00 C ATOM 1202 O ALA A 85 8.343 0.234 -5.855 1.00 0.00 O ATOM 1203 CB ALA A 85 7.410 -2.924 -4.853 1.00 0.00 C ATOM 0 H ALA A 85 9.496 -3.184 -3.603 1.00 0.00 H new ATOM 0 HA ALA A 85 8.899 -2.166 -6.171 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.588 -2.625 -5.504 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.669 -3.964 -5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.106 -2.817 -3.812 1.00 0.00 H new ATOM 1209 N PHE A 86 8.050 -0.212 -3.657 1.00 0.00 N ATOM 1210 CA PHE A 86 7.744 1.164 -3.305 1.00 0.00 C ATOM 1211 C PHE A 86 8.957 2.070 -3.528 1.00 0.00 C ATOM 1212 O PHE A 86 8.807 3.271 -3.748 1.00 0.00 O ATOM 1213 CB PHE A 86 7.381 1.176 -1.819 1.00 0.00 C ATOM 1214 CG PHE A 86 5.922 0.813 -1.532 1.00 0.00 C ATOM 1215 CD1 PHE A 86 4.932 1.699 -1.822 1.00 0.00 C ATOM 1216 CD2 PHE A 86 5.616 -0.395 -0.988 1.00 0.00 C ATOM 1217 CE1 PHE A 86 3.578 1.363 -1.556 1.00 0.00 C ATOM 1218 CE2 PHE A 86 4.262 -0.732 -0.722 1.00 0.00 C ATOM 1219 CZ PHE A 86 3.272 0.154 -1.011 1.00 0.00 C ATOM 0 H PHE A 86 8.034 -0.866 -2.875 1.00 0.00 H new ATOM 0 HA PHE A 86 6.928 1.534 -3.926 1.00 0.00 H new ATOM 0 HB2 PHE A 86 8.029 0.476 -1.291 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.585 2.167 -1.414 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.175 2.658 -2.255 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.403 -1.098 -0.758 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.792 2.067 -1.786 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.019 -1.692 -0.290 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.243 -0.102 -0.808 1.00 0.00 H new ATOM 1229 N LYS A 87 10.131 1.460 -3.463 1.00 0.00 N ATOM 1230 CA LYS A 87 11.369 2.196 -3.655 1.00 0.00 C ATOM 1231 C LYS A 87 11.575 2.458 -5.148 1.00 0.00 C ATOM 1232 O LYS A 87 11.889 3.578 -5.548 1.00 0.00 O ATOM 1233 CB LYS A 87 12.537 1.463 -2.992 1.00 0.00 C ATOM 1234 CG LYS A 87 13.194 2.335 -1.919 1.00 0.00 C ATOM 1235 CD LYS A 87 14.670 1.973 -1.747 1.00 0.00 C ATOM 1236 CE LYS A 87 15.110 2.142 -0.292 1.00 0.00 C ATOM 1237 NZ LYS A 87 16.084 3.250 -0.170 1.00 0.00 N ATOM 0 H LYS A 87 10.251 0.464 -3.280 1.00 0.00 H new ATOM 0 HA LYS A 87 11.314 3.168 -3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.181 0.535 -2.544 1.00 0.00 H new ATOM 0 HB3 LYS A 87 13.275 1.190 -3.746 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.103 3.386 -2.194 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.672 2.207 -0.971 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.835 0.943 -2.063 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.281 2.606 -2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.242 2.343 0.336 1.00 0.00 H new ATOM 0 HE3 LYS A 87 15.557 1.216 0.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 16.372 3.351 0.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 16.920 3.043 -0.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 15.645 4.135 -0.495 1.00 0.00 H new ATOM 1251 N THR A 88 11.390 1.406 -5.932 1.00 0.00 N ATOM 1252 CA THR A 88 11.552 1.508 -7.372 1.00 0.00 C ATOM 1253 C THR A 88 10.253 1.988 -8.022 1.00 0.00 C ATOM 1254 O THR A 88 10.199 2.192 -9.234 1.00 0.00 O ATOM 1255 CB THR A 88 12.026 0.150 -7.892 1.00 0.00 C ATOM 1256 OG1 THR A 88 10.988 -0.749 -7.511 1.00 0.00 O ATOM 1257 CG2 THR A 88 13.258 -0.366 -7.145 1.00 0.00 C ATOM 0 H THR A 88 11.129 0.479 -5.597 1.00 0.00 H new ATOM 0 HA THR A 88 12.304 2.253 -7.634 1.00 0.00 H new ATOM 0 HB THR A 88 12.252 0.228 -8.955 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.164 -1.088 -6.609 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.553 -1.333 -7.553 1.00 0.00 H new ATOM 0 HG22 THR A 88 14.078 0.343 -7.262 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.022 -0.476 -6.087 1.00 0.00 H new ATOM 1265 N ALA A 89 9.238 2.154 -7.187 1.00 0.00 N ATOM 1266 CA ALA A 89 7.942 2.607 -7.665 1.00 0.00 C ATOM 1267 C ALA A 89 8.059 4.052 -8.153 1.00 0.00 C ATOM 1268 O ALA A 89 8.857 4.826 -7.626 1.00 0.00 O ATOM 1269 CB ALA A 89 6.904 2.449 -6.553 1.00 0.00 C ATOM 0 H ALA A 89 9.286 1.983 -6.183 1.00 0.00 H new ATOM 0 HA ALA A 89 7.611 2.001 -8.508 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.932 2.789 -6.911 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.838 1.400 -6.264 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.201 3.045 -5.690 1.00 0.00 H new ATOM 1275 N LYS A 90 7.253 4.372 -9.154 1.00 0.00 N ATOM 1276 CA LYS A 90 7.256 5.711 -9.719 1.00 0.00 C ATOM 1277 C LYS A 90 5.893 6.364 -9.479 1.00 0.00 C ATOM 1278 O LYS A 90 4.881 5.674 -9.364 1.00 0.00 O ATOM 1279 CB LYS A 90 7.668 5.670 -11.192 1.00 0.00 C ATOM 1280 CG LYS A 90 9.179 5.855 -11.344 1.00 0.00 C ATOM 1281 CD LYS A 90 9.607 7.255 -10.900 1.00 0.00 C ATOM 1282 CE LYS A 90 9.935 8.137 -12.107 1.00 0.00 C ATOM 1283 NZ LYS A 90 10.551 9.409 -11.667 1.00 0.00 N ATOM 0 H LYS A 90 6.593 3.727 -9.589 1.00 0.00 H new ATOM 0 HA LYS A 90 8.000 6.333 -9.221 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.369 4.718 -11.631 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.145 6.453 -11.742 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.702 5.105 -10.750 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.466 5.696 -12.383 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.810 7.714 -10.315 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.479 7.183 -10.250 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.614 7.609 -12.776 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.026 8.343 -12.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.767 9.996 -12.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.890 9.918 -11.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.429 9.208 -11.147 1.00 0.00 H new ATOM 1297 N GLU A 91 5.911 7.687 -9.411 1.00 0.00 N ATOM 1298 CA GLU A 91 4.689 8.441 -9.187 1.00 0.00 C ATOM 1299 C GLU A 91 4.044 8.817 -10.523 1.00 0.00 C ATOM 1300 O GLU A 91 4.741 9.149 -11.481 1.00 0.00 O ATOM 1301 CB GLU A 91 4.960 9.686 -8.340 1.00 0.00 C ATOM 1302 CG GLU A 91 5.853 9.351 -7.144 1.00 0.00 C ATOM 1303 CD GLU A 91 6.551 10.605 -6.612 1.00 0.00 C ATOM 1304 OE1 GLU A 91 5.856 11.638 -6.503 1.00 0.00 O ATOM 1305 OE2 GLU A 91 7.763 10.502 -6.326 1.00 0.00 O ATOM 0 H GLU A 91 6.752 8.256 -9.507 1.00 0.00 H new ATOM 0 HA GLU A 91 3.993 7.810 -8.634 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.438 10.450 -8.953 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.017 10.104 -7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.253 8.901 -6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.599 8.612 -7.438 1.00 0.00 H new ATOM 1312 N PRO A 92 2.686 8.750 -10.545 1.00 0.00 N ATOM 1313 CA PRO A 92 1.938 8.348 -9.366 1.00 0.00 C ATOM 1314 C PRO A 92 2.043 6.838 -9.139 1.00 0.00 C ATOM 1315 O PRO A 92 2.092 6.065 -10.094 1.00 0.00 O ATOM 1316 CB PRO A 92 0.514 8.812 -9.627 1.00 0.00 C ATOM 1317 CG PRO A 92 0.418 9.038 -11.127 1.00 0.00 C ATOM 1318 CD PRO A 92 1.831 9.055 -11.687 1.00 0.00 C ATOM 0 HA PRO A 92 2.326 8.792 -8.449 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.207 8.064 -9.298 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.295 9.729 -9.079 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.169 8.248 -11.595 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.088 9.980 -11.340 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.951 8.317 -12.480 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.075 10.027 -12.116 1.00 0.00 H new ATOM 1326 N ILE A 93 2.073 6.464 -7.868 1.00 0.00 N ATOM 1327 CA ILE A 93 2.172 5.061 -7.503 1.00 0.00 C ATOM 1328 C ILE A 93 0.772 4.516 -7.209 1.00 0.00 C ATOM 1329 O ILE A 93 0.147 4.902 -6.223 1.00 0.00 O ATOM 1330 CB ILE A 93 3.159 4.876 -6.349 1.00 0.00 C ATOM 1331 CG1 ILE A 93 4.516 5.498 -6.683 1.00 0.00 C ATOM 1332 CG2 ILE A 93 3.283 3.400 -5.966 1.00 0.00 C ATOM 1333 CD1 ILE A 93 5.265 5.896 -5.410 1.00 0.00 C ATOM 0 H ILE A 93 2.030 7.108 -7.078 1.00 0.00 H new ATOM 0 HA ILE A 93 2.574 4.479 -8.332 1.00 0.00 H new ATOM 0 HB ILE A 93 2.770 5.403 -5.478 1.00 0.00 H new ATOM 0 HG12 ILE A 93 5.114 4.789 -7.254 1.00 0.00 H new ATOM 0 HG13 ILE A 93 4.373 6.375 -7.314 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.991 3.296 -5.143 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.309 3.021 -5.657 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.638 2.830 -6.824 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.226 6.336 -5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.675 6.624 -4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.428 5.013 -4.793 1.00 0.00 H new ATOM 1345 N VAL A 94 0.323 3.628 -8.083 1.00 0.00 N ATOM 1346 CA VAL A 94 -0.991 3.025 -7.930 1.00 0.00 C ATOM 1347 C VAL A 94 -0.895 1.843 -6.964 1.00 0.00 C ATOM 1348 O VAL A 94 -0.293 0.820 -7.287 1.00 0.00 O ATOM 1349 CB VAL A 94 -1.551 2.635 -9.299 1.00 0.00 C ATOM 1350 CG1 VAL A 94 -1.091 1.232 -9.699 1.00 0.00 C ATOM 1351 CG2 VAL A 94 -3.077 2.739 -9.317 1.00 0.00 C ATOM 0 H VAL A 94 0.845 3.311 -8.900 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.692 3.740 -7.500 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.160 3.338 -10.034 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.503 0.979 -10.676 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.002 1.206 -9.746 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.440 0.510 -8.960 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.449 2.456 -10.302 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.496 2.071 -8.565 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.374 3.764 -9.097 1.00 0.00 H new ATOM 1361 N VAL A 95 -1.498 2.022 -5.798 1.00 0.00 N ATOM 1362 CA VAL A 95 -1.489 0.983 -4.782 1.00 0.00 C ATOM 1363 C VAL A 95 -2.925 0.534 -4.505 1.00 0.00 C ATOM 1364 O VAL A 95 -3.862 1.318 -4.647 1.00 0.00 O ATOM 1365 CB VAL A 95 -0.765 1.481 -3.530 1.00 0.00 C ATOM 1366 CG1 VAL A 95 0.104 0.378 -2.923 1.00 0.00 C ATOM 1367 CG2 VAL A 95 0.067 2.728 -3.837 1.00 0.00 C ATOM 0 H VAL A 95 -1.996 2.872 -5.534 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.938 0.110 -5.133 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.520 1.755 -2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.607 0.759 -2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.523 -0.470 -2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.848 0.058 -3.652 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.571 3.061 -2.930 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.810 2.491 -4.599 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.586 3.521 -4.201 1.00 0.00 H new ATOM 1377 N GLN A 96 -3.052 -0.725 -4.113 1.00 0.00 N ATOM 1378 CA GLN A 96 -4.358 -1.287 -3.813 1.00 0.00 C ATOM 1379 C GLN A 96 -4.300 -2.107 -2.523 1.00 0.00 C ATOM 1380 O GLN A 96 -3.278 -2.719 -2.218 1.00 0.00 O ATOM 1381 CB GLN A 96 -4.870 -2.135 -4.979 1.00 0.00 C ATOM 1382 CG GLN A 96 -6.018 -3.044 -4.534 1.00 0.00 C ATOM 1383 CD GLN A 96 -6.970 -3.335 -5.696 1.00 0.00 C ATOM 1384 OE1 GLN A 96 -8.018 -2.518 -5.755 1.00 0.00 O flip ATOM 1385 NE2 GLN A 96 -6.766 -4.241 -6.487 1.00 0.00 N flip ATOM 0 H GLN A 96 -2.272 -1.372 -3.996 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.060 -0.466 -3.667 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.208 -1.484 -5.785 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.056 -2.740 -5.378 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.616 -3.980 -4.146 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.567 -2.571 -3.720 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.941 -4.832 -6.384 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.421 -4.408 -7.251 1.00 0.00 H new ATOM 1394 N VAL A 97 -5.410 -2.093 -1.800 1.00 0.00 N ATOM 1395 CA VAL A 97 -5.499 -2.828 -0.550 1.00 0.00 C ATOM 1396 C VAL A 97 -6.839 -3.563 -0.489 1.00 0.00 C ATOM 1397 O VAL A 97 -7.751 -3.264 -1.259 1.00 0.00 O ATOM 1398 CB VAL A 97 -5.283 -1.879 0.631 1.00 0.00 C ATOM 1399 CG1 VAL A 97 -3.827 -1.412 0.700 1.00 0.00 C ATOM 1400 CG2 VAL A 97 -6.238 -0.686 0.558 1.00 0.00 C ATOM 0 H VAL A 97 -6.256 -1.584 -2.056 1.00 0.00 H new ATOM 0 HA VAL A 97 -4.713 -3.581 -0.493 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.503 -2.428 1.546 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.701 -0.739 1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.173 -2.276 0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.569 -0.888 -0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.063 -0.028 1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.064 -0.137 -0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.268 -1.042 0.580 1.00 0.00 H new ATOM 1410 N LEU A 98 -6.917 -4.510 0.435 1.00 0.00 N ATOM 1411 CA LEU A 98 -8.131 -5.289 0.607 1.00 0.00 C ATOM 1412 C LEU A 98 -8.797 -4.905 1.929 1.00 0.00 C ATOM 1413 O LEU A 98 -8.324 -5.283 3.000 1.00 0.00 O ATOM 1414 CB LEU A 98 -7.830 -6.784 0.482 1.00 0.00 C ATOM 1415 CG LEU A 98 -8.180 -7.429 -0.861 1.00 0.00 C ATOM 1416 CD1 LEU A 98 -7.933 -6.458 -2.017 1.00 0.00 C ATOM 1417 CD2 LEU A 98 -7.427 -8.748 -1.049 1.00 0.00 C ATOM 0 H LEU A 98 -6.159 -4.755 1.072 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.844 -5.063 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.767 -6.937 0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.372 -7.310 1.268 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.244 -7.663 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.190 -6.942 -2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.551 -5.570 -1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.882 -6.170 -2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.694 -9.185 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.353 -8.561 -1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.697 -9.438 -0.249 1.00 0.00 H new