USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 952 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 59 THR OG1 : rot -4:sc= 0.0189 USER MOD Set 1.2: A 90 SER OG : rot -61:sc= 0.679 USER MOD Single : A 4 TYR OH : rot 180:sc= -0.0245 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -102:sc= 0.958 USER MOD Single : A 12 HIS : no HD1:sc= -1.01 K(o=-1,f=-2.2!) USER MOD Single : A 16 THR OG1 : rot -86:sc= 1.15 USER MOD Single : A 17 THR OG1 : rot -24:sc= 0.437 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot -71:sc= 0.384 USER MOD Single : A 26 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00213) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.0228 F(o=-0.61,f=-0.023) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0207) USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0804) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0346) USER MOD Single : A 46 ASN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= 0.593 F(o=-0.0059,f=0.59) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot -63:sc=-0.00894 USER MOD Single : A 61 HIS : no HE2:sc= -1.18 K(o=-1.2,f=-3.1!) USER MOD Single : A 62 TYR OH : rot 30:sc= -1.35 USER MOD Single : A 64 THR OG1 : rot -33:sc= -0.527 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.022) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -24:sc= 1.08 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0407) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0.00221 USER MOD Single : A 98 TYR OH : rot 165:sc= -0.227 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 115 TYR OH : rot 180:sc= -3.01! USER MOD Single : A 116 CYS SG : rot 170:sc= -2.15! USER MOD Single : A 119 LYS NZ :NH3+ 154:sc= 0.0217 (180deg=0) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 4 -8.231 -19.403 -13.178 1.00 0.00 N ATOM 2 CA TYR A 4 -8.552 -17.980 -13.350 1.00 0.00 C ATOM 3 C TYR A 4 -8.067 -17.211 -12.110 1.00 0.00 C ATOM 4 O TYR A 4 -7.892 -17.791 -11.036 1.00 0.00 O ATOM 5 CB TYR A 4 -10.079 -17.911 -13.530 1.00 0.00 C ATOM 6 CG TYR A 4 -10.565 -16.668 -14.252 1.00 0.00 C ATOM 7 CD1 TYR A 4 -10.907 -15.557 -13.550 1.00 0.00 C ATOM 8 CD2 TYR A 4 -10.715 -16.685 -15.605 1.00 0.00 C ATOM 9 CE1 TYR A 4 -11.398 -14.469 -14.197 1.00 0.00 C ATOM 10 CE2 TYR A 4 -11.198 -15.592 -16.253 1.00 0.00 C ATOM 11 CZ TYR A 4 -11.540 -14.484 -15.548 1.00 0.00 C ATOM 12 OH TYR A 4 -12.027 -13.382 -16.201 1.00 0.00 O ATOM 0 HA TYR A 4 -8.062 -17.527 -14.212 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -10.408 -18.791 -14.083 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -10.552 -17.956 -12.549 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -10.788 -15.539 -12.477 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -10.449 -17.569 -16.165 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -11.676 -13.589 -13.636 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.309 -15.605 -17.327 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.063 -13.562 -17.164 1.00 0.00 H new ATOM 22 N LYS A 5 -7.841 -15.901 -12.237 1.00 0.00 N ATOM 23 CA LYS A 5 -7.175 -15.165 -11.159 1.00 0.00 C ATOM 24 C LYS A 5 -8.090 -14.085 -10.573 1.00 0.00 C ATOM 25 O LYS A 5 -8.823 -13.382 -11.270 1.00 0.00 O ATOM 26 CB LYS A 5 -5.907 -14.524 -11.739 1.00 0.00 C ATOM 27 CG LYS A 5 -4.790 -15.551 -11.956 1.00 0.00 C ATOM 28 CD LYS A 5 -3.509 -14.895 -12.476 1.00 0.00 C ATOM 29 CE LYS A 5 -2.396 -15.927 -12.656 1.00 0.00 C ATOM 30 NZ LYS A 5 -1.178 -15.278 -13.165 1.00 0.00 N ATOM 0 H LYS A 5 -8.100 -15.341 -13.050 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.925 -15.852 -10.350 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.146 -14.043 -12.687 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.555 -13.743 -11.065 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.581 -16.064 -11.017 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.125 -16.308 -12.665 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.709 -14.402 -13.427 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.184 -14.123 -11.779 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.186 -16.415 -11.705 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.719 -16.704 -13.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.429 -15.990 -13.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.380 -14.832 -14.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.863 -14.553 -12.490 1.00 0.00 H new ATOM 44 N THR A 6 -7.984 -13.956 -9.256 1.00 0.00 N ATOM 45 CA THR A 6 -8.681 -12.902 -8.499 1.00 0.00 C ATOM 46 C THR A 6 -7.677 -11.826 -8.087 1.00 0.00 C ATOM 47 O THR A 6 -6.660 -12.127 -7.459 1.00 0.00 O ATOM 48 CB THR A 6 -9.463 -13.449 -7.295 1.00 0.00 C ATOM 49 OG1 THR A 6 -9.821 -12.383 -6.424 1.00 0.00 O ATOM 50 CG2 THR A 6 -8.692 -14.508 -6.510 1.00 0.00 C ATOM 0 H THR A 6 -7.416 -14.573 -8.676 1.00 0.00 H new ATOM 0 HA THR A 6 -9.432 -12.457 -9.152 1.00 0.00 H new ATOM 0 HB THR A 6 -10.355 -13.931 -7.696 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.217 -12.374 -5.653 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.299 -14.854 -5.673 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.462 -15.350 -7.163 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.764 -14.078 -6.133 1.00 0.00 H new ATOM 58 N GLY A 7 -7.915 -10.592 -8.520 1.00 0.00 N ATOM 59 CA GLY A 7 -6.956 -9.520 -8.219 1.00 0.00 C ATOM 60 C GLY A 7 -7.527 -8.202 -7.695 1.00 0.00 C ATOM 61 O GLY A 7 -8.619 -8.108 -7.133 1.00 0.00 O ATOM 0 H GLY A 7 -8.732 -10.309 -9.062 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.246 -9.898 -7.483 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.391 -9.307 -9.126 1.00 0.00 H new ATOM 65 N LEU A 8 -6.666 -7.201 -7.836 1.00 0.00 N ATOM 66 CA LEU A 8 -6.876 -5.870 -7.255 1.00 0.00 C ATOM 67 C LEU A 8 -6.705 -4.861 -8.373 1.00 0.00 C ATOM 68 O LEU A 8 -5.792 -4.962 -9.196 1.00 0.00 O ATOM 69 CB LEU A 8 -5.774 -5.565 -6.222 1.00 0.00 C ATOM 70 CG LEU A 8 -6.007 -4.283 -5.405 1.00 0.00 C ATOM 71 CD1 LEU A 8 -7.301 -4.277 -4.591 1.00 0.00 C ATOM 72 CD2 LEU A 8 -4.820 -4.036 -4.474 1.00 0.00 C ATOM 0 H LEU A 8 -5.795 -7.285 -8.360 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.859 -5.826 -6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.692 -6.408 -5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.819 -5.482 -6.741 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.105 -3.481 -6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.384 -3.336 -4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.153 -4.384 -5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.290 -5.106 -3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.992 -3.126 -3.899 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.709 -4.880 -3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.911 -3.925 -5.065 1.00 0.00 H new ATOM 84 N LEU A 9 -7.552 -3.848 -8.378 1.00 0.00 N ATOM 85 CA LEU A 9 -7.244 -2.665 -9.154 1.00 0.00 C ATOM 86 C LEU A 9 -7.305 -1.505 -8.142 1.00 0.00 C ATOM 87 O LEU A 9 -8.274 -1.343 -7.399 1.00 0.00 O ATOM 88 CB LEU A 9 -8.273 -2.746 -10.288 1.00 0.00 C ATOM 89 CG LEU A 9 -8.127 -1.790 -11.470 1.00 0.00 C ATOM 90 CD1 LEU A 9 -9.411 -0.986 -11.516 1.00 0.00 C ATOM 91 CD2 LEU A 9 -6.924 -0.859 -11.387 1.00 0.00 C ATOM 0 H LEU A 9 -8.435 -3.820 -7.868 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.272 -2.542 -9.631 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.256 -3.763 -10.679 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.260 -2.588 -9.853 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.954 -2.374 -12.374 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.369 -0.280 -12.345 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.257 -1.659 -11.656 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.532 -0.440 -10.580 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.900 -0.217 -12.267 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.001 -0.244 -10.491 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.009 -1.450 -11.344 1.00 0.00 H new ATOM 103 N LEU A 10 -6.252 -0.693 -8.129 1.00 0.00 N ATOM 104 CA LEU A 10 -6.133 0.415 -7.165 1.00 0.00 C ATOM 105 C LEU A 10 -5.953 1.684 -8.008 1.00 0.00 C ATOM 106 O LEU A 10 -5.040 1.763 -8.829 1.00 0.00 O ATOM 107 CB LEU A 10 -4.944 0.194 -6.189 1.00 0.00 C ATOM 108 CG LEU A 10 -5.230 0.627 -4.748 1.00 0.00 C ATOM 109 CD1 LEU A 10 -4.023 0.344 -3.852 1.00 0.00 C ATOM 110 CD2 LEU A 10 -5.612 2.102 -4.631 1.00 0.00 C ATOM 0 H LEU A 10 -5.465 -0.775 -8.772 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.016 0.489 -6.531 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.676 -0.862 -6.193 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.078 0.744 -6.557 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.087 0.039 -4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.245 0.658 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.804 -0.724 -3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.158 0.895 -4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.802 2.347 -3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.796 2.720 -5.006 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.511 2.293 -5.218 1.00 0.00 H new ATOM 122 N ILE A 11 -6.859 2.650 -7.881 1.00 0.00 N ATOM 123 CA ILE A 11 -6.901 3.759 -8.852 1.00 0.00 C ATOM 124 C ILE A 11 -6.959 5.116 -8.142 1.00 0.00 C ATOM 125 O ILE A 11 -7.693 5.296 -7.171 1.00 0.00 O ATOM 126 CB ILE A 11 -8.105 3.597 -9.805 1.00 0.00 C ATOM 127 CG1 ILE A 11 -9.460 3.494 -9.076 1.00 0.00 C ATOM 128 CG2 ILE A 11 -7.895 2.382 -10.713 1.00 0.00 C ATOM 129 CD1 ILE A 11 -10.633 3.281 -10.036 1.00 0.00 C ATOM 0 H ILE A 11 -7.559 2.696 -7.140 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.983 3.726 -9.439 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.151 4.507 -10.404 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.423 2.669 -8.365 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.628 4.404 -8.500 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.749 2.276 -11.382 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.988 2.520 -11.302 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.798 1.484 -10.103 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.561 3.216 -9.468 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.691 4.119 -10.731 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.483 2.357 -10.594 1.00 0.00 H new ATOM 141 N HIS A 12 -6.229 6.096 -8.675 1.00 0.00 N ATOM 142 CA HIS A 12 -6.437 7.484 -8.247 1.00 0.00 C ATOM 143 C HIS A 12 -7.426 8.133 -9.236 1.00 0.00 C ATOM 144 O HIS A 12 -7.213 8.040 -10.446 1.00 0.00 O ATOM 145 CB HIS A 12 -5.079 8.201 -8.289 1.00 0.00 C ATOM 146 CG HIS A 12 -5.071 9.714 -8.093 1.00 0.00 C ATOM 147 ND1 HIS A 12 -6.003 10.450 -7.379 1.00 0.00 N ATOM 148 CD2 HIS A 12 -4.141 10.562 -8.719 1.00 0.00 C ATOM 149 CE1 HIS A 12 -5.531 11.705 -7.667 1.00 0.00 C ATOM 150 NE2 HIS A 12 -4.423 11.876 -8.442 1.00 0.00 N ATOM 0 H HIS A 12 -5.508 5.964 -9.384 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.841 7.545 -7.237 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.443 7.760 -7.522 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -4.615 7.985 -9.251 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -3.318 10.226 -9.333 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.045 12.570 -7.274 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -3.944 12.729 -8.731 1.00 0.00 H new ATOM 158 N PRO A 13 -8.500 8.792 -8.780 1.00 0.00 N ATOM 159 CA PRO A 13 -9.579 9.243 -9.677 1.00 0.00 C ATOM 160 C PRO A 13 -9.268 10.188 -10.843 1.00 0.00 C ATOM 161 O PRO A 13 -10.150 10.434 -11.664 1.00 0.00 O ATOM 162 CB PRO A 13 -10.452 10.017 -8.699 1.00 0.00 C ATOM 163 CG PRO A 13 -10.379 9.201 -7.419 1.00 0.00 C ATOM 164 CD PRO A 13 -8.922 8.738 -7.371 1.00 0.00 C ATOM 0 HA PRO A 13 -9.965 8.368 -10.201 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.081 11.031 -8.548 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.477 10.103 -9.060 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.638 9.800 -6.546 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -11.068 8.356 -7.442 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.314 9.390 -6.744 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.834 7.731 -6.963 1.00 0.00 H new ATOM 172 N ALA A 14 -8.100 10.814 -10.882 1.00 0.00 N ATOM 173 CA ALA A 14 -7.932 11.972 -11.778 1.00 0.00 C ATOM 174 C ALA A 14 -8.021 11.645 -13.267 1.00 0.00 C ATOM 175 O ALA A 14 -8.795 12.278 -13.987 1.00 0.00 O ATOM 176 CB ALA A 14 -6.603 12.659 -11.470 1.00 0.00 C ATOM 0 H ALA A 14 -7.279 10.561 -10.332 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.774 12.635 -11.578 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.475 13.516 -12.131 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.599 12.996 -10.433 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.785 11.956 -11.626 1.00 0.00 H new ATOM 182 N VAL A 15 -7.284 10.643 -13.735 1.00 0.00 N ATOM 183 CA VAL A 15 -7.502 10.156 -15.106 1.00 0.00 C ATOM 184 C VAL A 15 -8.592 9.058 -15.115 1.00 0.00 C ATOM 185 O VAL A 15 -9.344 8.940 -16.082 1.00 0.00 O ATOM 186 CB VAL A 15 -6.167 9.721 -15.743 1.00 0.00 C ATOM 187 CG1 VAL A 15 -6.370 9.031 -17.096 1.00 0.00 C ATOM 188 CG2 VAL A 15 -5.276 10.947 -15.978 1.00 0.00 C ATOM 0 H VAL A 15 -6.553 10.161 -13.212 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.880 10.964 -15.733 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.703 9.019 -15.050 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.402 8.743 -17.506 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.987 8.142 -16.962 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.866 9.717 -17.783 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.335 10.632 -16.428 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.783 11.643 -16.647 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.076 11.439 -15.026 1.00 0.00 H new ATOM 198 N THR A 16 -8.672 8.240 -14.062 1.00 0.00 N ATOM 199 CA THR A 16 -9.527 7.045 -14.081 1.00 0.00 C ATOM 200 C THR A 16 -11.012 7.283 -13.738 1.00 0.00 C ATOM 201 O THR A 16 -11.793 6.331 -13.792 1.00 0.00 O ATOM 202 CB THR A 16 -8.938 6.007 -13.112 1.00 0.00 C ATOM 203 OG1 THR A 16 -8.950 6.517 -11.785 1.00 0.00 O ATOM 204 CG2 THR A 16 -7.513 5.583 -13.480 1.00 0.00 C ATOM 0 H THR A 16 -8.160 8.380 -13.191 1.00 0.00 H new ATOM 0 HA THR A 16 -9.530 6.696 -15.114 1.00 0.00 H new ATOM 0 HB THR A 16 -9.569 5.121 -13.186 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.138 7.044 -11.630 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.154 4.849 -12.758 1.00 0.00 H new ATOM 0 HG22 THR A 16 -7.510 5.143 -14.477 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.859 6.455 -13.467 1.00 0.00 H new ATOM 212 N THR A 17 -11.459 8.512 -13.455 1.00 0.00 N ATOM 213 CA THR A 17 -12.911 8.754 -13.337 1.00 0.00 C ATOM 214 C THR A 17 -13.660 8.830 -14.683 1.00 0.00 C ATOM 215 O THR A 17 -14.892 8.866 -14.687 1.00 0.00 O ATOM 216 CB THR A 17 -13.144 10.028 -12.503 1.00 0.00 C ATOM 217 OG1 THR A 17 -14.524 10.136 -12.185 1.00 0.00 O ATOM 218 CG2 THR A 17 -12.706 11.317 -13.213 1.00 0.00 C ATOM 0 H THR A 17 -10.867 9.329 -13.307 1.00 0.00 H new ATOM 0 HA THR A 17 -13.334 7.884 -12.835 1.00 0.00 H new ATOM 0 HB THR A 17 -12.530 9.926 -11.608 1.00 0.00 H new ATOM 0 HG1 THR A 17 -15.052 9.642 -12.847 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.900 12.173 -12.566 1.00 0.00 H new ATOM 0 HG22 THR A 17 -11.640 11.265 -13.436 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.266 11.429 -14.141 1.00 0.00 H new ATOM 226 N THR A 18 -12.964 8.800 -15.820 1.00 0.00 N ATOM 227 CA THR A 18 -13.664 8.644 -17.105 1.00 0.00 C ATOM 228 C THR A 18 -13.555 7.142 -17.497 1.00 0.00 C ATOM 229 O THR A 18 -12.765 6.411 -16.892 1.00 0.00 O ATOM 230 CB THR A 18 -12.842 9.602 -18.014 1.00 0.00 C ATOM 231 OG1 THR A 18 -12.843 10.903 -17.437 1.00 0.00 O ATOM 232 CG2 THR A 18 -13.284 9.786 -19.468 1.00 0.00 C ATOM 0 H THR A 18 -11.949 8.878 -15.884 1.00 0.00 H new ATOM 0 HA THR A 18 -14.726 8.885 -17.142 1.00 0.00 H new ATOM 0 HB THR A 18 -11.873 9.106 -18.061 1.00 0.00 H new ATOM 0 HG1 THR A 18 -12.325 11.512 -18.003 1.00 0.00 H new ATOM 0 HG21 THR A 18 -12.611 10.483 -19.968 1.00 0.00 H new ATOM 0 HG22 THR A 18 -13.257 8.825 -19.981 1.00 0.00 H new ATOM 0 HG23 THR A 18 -14.299 10.182 -19.492 1.00 0.00 H new ATOM 240 N PRO A 19 -14.284 6.616 -18.494 1.00 0.00 N ATOM 241 CA PRO A 19 -14.310 5.150 -18.710 1.00 0.00 C ATOM 242 C PRO A 19 -13.088 4.527 -19.406 1.00 0.00 C ATOM 243 O PRO A 19 -13.030 3.306 -19.543 1.00 0.00 O ATOM 244 CB PRO A 19 -15.606 4.901 -19.495 1.00 0.00 C ATOM 245 CG PRO A 19 -16.053 6.275 -19.983 1.00 0.00 C ATOM 246 CD PRO A 19 -15.571 7.209 -18.881 1.00 0.00 C ATOM 0 HA PRO A 19 -14.272 4.651 -17.742 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -15.435 4.223 -20.331 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.366 4.442 -18.863 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.608 6.525 -20.946 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -17.134 6.325 -20.109 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.454 8.232 -19.240 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.269 7.242 -18.045 1.00 0.00 H new ATOM 254 N GLU A 20 -12.137 5.316 -19.901 1.00 0.00 N ATOM 255 CA GLU A 20 -11.125 4.766 -20.819 1.00 0.00 C ATOM 256 C GLU A 20 -10.071 3.893 -20.128 1.00 0.00 C ATOM 257 O GLU A 20 -9.825 2.771 -20.570 1.00 0.00 O ATOM 258 CB GLU A 20 -10.425 5.903 -21.578 1.00 0.00 C ATOM 259 CG GLU A 20 -11.359 6.734 -22.472 1.00 0.00 C ATOM 260 CD GLU A 20 -11.993 5.906 -23.584 1.00 0.00 C ATOM 261 OE1 GLU A 20 -11.330 5.678 -24.619 1.00 0.00 O ATOM 262 OE2 GLU A 20 -13.158 5.478 -23.429 1.00 0.00 O ATOM 0 H GLU A 20 -12.040 6.310 -19.694 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.667 4.119 -21.508 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.947 6.566 -20.857 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.633 5.479 -22.195 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.145 7.176 -21.859 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.797 7.558 -22.912 1.00 0.00 H new ATOM 269 N LEU A 21 -9.452 4.372 -19.047 1.00 0.00 N ATOM 270 CA LEU A 21 -8.459 3.547 -18.334 1.00 0.00 C ATOM 271 C LEU A 21 -9.108 2.349 -17.617 1.00 0.00 C ATOM 272 O LEU A 21 -8.495 1.289 -17.495 1.00 0.00 O ATOM 273 CB LEU A 21 -7.686 4.417 -17.327 1.00 0.00 C ATOM 274 CG LEU A 21 -6.540 5.262 -17.913 1.00 0.00 C ATOM 275 CD1 LEU A 21 -5.401 4.380 -18.434 1.00 0.00 C ATOM 276 CD2 LEU A 21 -7.004 6.220 -19.014 1.00 0.00 C ATOM 0 H LEU A 21 -9.610 5.298 -18.650 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.769 3.143 -19.075 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.392 5.087 -16.837 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.275 3.767 -16.555 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.170 5.870 -17.087 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.610 5.010 -18.840 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.003 3.779 -17.616 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.779 3.722 -19.217 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.151 6.787 -19.386 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.445 5.649 -19.831 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.747 6.907 -18.609 1.00 0.00 H new ATOM 288 N VAL A 22 -10.349 2.508 -17.162 1.00 0.00 N ATOM 289 CA VAL A 22 -11.080 1.386 -16.541 1.00 0.00 C ATOM 290 C VAL A 22 -11.405 0.297 -17.578 1.00 0.00 C ATOM 291 O VAL A 22 -11.145 -0.881 -17.333 1.00 0.00 O ATOM 292 CB VAL A 22 -12.319 1.940 -15.809 1.00 0.00 C ATOM 293 CG1 VAL A 22 -13.294 0.844 -15.364 1.00 0.00 C ATOM 294 CG2 VAL A 22 -11.892 2.731 -14.565 1.00 0.00 C ATOM 0 H VAL A 22 -10.870 3.384 -17.206 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.456 0.892 -15.796 1.00 0.00 H new ATOM 0 HB VAL A 22 -12.830 2.581 -16.527 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.144 1.298 -14.855 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -13.645 0.293 -16.237 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.787 0.160 -14.683 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.776 3.117 -14.058 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.342 2.077 -13.889 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.254 3.563 -14.864 1.00 0.00 H new ATOM 304 N GLU A 23 -11.942 0.664 -18.741 1.00 0.00 N ATOM 305 CA GLU A 23 -12.176 -0.329 -19.806 1.00 0.00 C ATOM 306 C GLU A 23 -10.895 -1.013 -20.311 1.00 0.00 C ATOM 307 O GLU A 23 -10.935 -2.176 -20.700 1.00 0.00 O ATOM 308 CB GLU A 23 -12.867 0.343 -20.999 1.00 0.00 C ATOM 309 CG GLU A 23 -14.331 0.698 -20.713 1.00 0.00 C ATOM 310 CD GLU A 23 -14.963 1.410 -21.901 1.00 0.00 C ATOM 311 OE1 GLU A 23 -14.603 2.578 -22.169 1.00 0.00 O ATOM 312 OE2 GLU A 23 -15.825 0.806 -22.576 1.00 0.00 O ATOM 0 H GLU A 23 -12.220 1.617 -18.974 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.803 -1.101 -19.361 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.323 1.249 -21.265 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.821 -0.321 -21.862 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.892 -0.209 -20.488 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.389 1.335 -19.830 1.00 0.00 H new ATOM 319 N ASN A 24 -9.766 -0.307 -20.319 1.00 0.00 N ATOM 320 CA ASN A 24 -8.498 -0.896 -20.777 1.00 0.00 C ATOM 321 C ASN A 24 -7.940 -1.942 -19.817 1.00 0.00 C ATOM 322 O ASN A 24 -7.562 -3.035 -20.236 1.00 0.00 O ATOM 323 CB ASN A 24 -7.482 0.237 -20.887 1.00 0.00 C ATOM 324 CG ASN A 24 -6.495 0.050 -22.034 1.00 0.00 C ATOM 325 OD1 ASN A 24 -5.508 -0.679 -21.924 1.00 0.00 O ATOM 326 ND2 ASN A 24 -6.744 0.708 -23.154 1.00 0.00 N ATOM 0 H ASN A 24 -9.697 0.665 -20.018 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.684 -1.396 -21.727 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.012 1.180 -21.023 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.930 0.314 -19.950 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.112 0.617 -23.950 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.568 1.306 -23.222 1.00 0.00 H new ATOM 333 N THR A 25 -7.873 -1.603 -18.531 1.00 0.00 N ATOM 334 CA THR A 25 -7.407 -2.594 -17.539 1.00 0.00 C ATOM 335 C THR A 25 -8.342 -3.819 -17.494 1.00 0.00 C ATOM 336 O THR A 25 -7.881 -4.962 -17.462 1.00 0.00 O ATOM 337 CB THR A 25 -7.140 -1.949 -16.166 1.00 0.00 C ATOM 338 OG1 THR A 25 -6.404 -2.864 -15.366 1.00 0.00 O ATOM 339 CG2 THR A 25 -8.392 -1.536 -15.388 1.00 0.00 C ATOM 0 H THR A 25 -8.123 -0.689 -18.153 1.00 0.00 H new ATOM 0 HA THR A 25 -6.438 -2.976 -17.862 1.00 0.00 H new ATOM 0 HB THR A 25 -6.592 -1.030 -16.374 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.985 -3.607 -15.101 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.099 -1.093 -14.436 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.958 -0.808 -15.969 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.012 -2.413 -15.204 1.00 0.00 H new ATOM 347 N LYS A 26 -9.653 -3.590 -17.581 1.00 0.00 N ATOM 348 CA LYS A 26 -10.603 -4.690 -17.776 1.00 0.00 C ATOM 349 C LYS A 26 -10.421 -5.411 -19.125 1.00 0.00 C ATOM 350 O LYS A 26 -10.635 -6.620 -19.180 1.00 0.00 O ATOM 351 CB LYS A 26 -12.037 -4.151 -17.658 1.00 0.00 C ATOM 352 CG LYS A 26 -12.366 -3.565 -16.276 1.00 0.00 C ATOM 353 CD LYS A 26 -12.288 -4.620 -15.168 1.00 0.00 C ATOM 354 CE LYS A 26 -12.805 -4.102 -13.822 1.00 0.00 C ATOM 355 NZ LYS A 26 -11.947 -3.029 -13.297 1.00 0.00 N ATOM 0 H LYS A 26 -10.079 -2.665 -17.521 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.408 -5.429 -16.999 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.190 -3.381 -18.415 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.738 -4.957 -17.877 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.673 -2.754 -16.053 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.367 -3.133 -16.295 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.868 -5.495 -15.463 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.254 -4.946 -15.054 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.823 -3.732 -13.939 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.845 -4.922 -13.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.313 -2.711 -12.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.977 -3.386 -13.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.943 -2.230 -13.963 1.00 0.00 H new ATOM 369 N ALA A 27 -10.040 -4.726 -20.211 1.00 0.00 N ATOM 370 CA ALA A 27 -9.840 -5.431 -21.492 1.00 0.00 C ATOM 371 C ALA A 27 -8.622 -6.364 -21.486 1.00 0.00 C ATOM 372 O ALA A 27 -8.704 -7.514 -21.917 1.00 0.00 O ATOM 373 CB ALA A 27 -9.740 -4.414 -22.632 1.00 0.00 C ATOM 0 H ALA A 27 -9.868 -3.721 -20.236 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.708 -6.072 -21.645 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.592 -4.939 -23.576 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.660 -3.831 -22.681 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.897 -3.747 -22.452 1.00 0.00 H new ATOM 379 N GLN A 28 -7.498 -5.879 -20.966 1.00 0.00 N ATOM 380 CA GLN A 28 -6.307 -6.692 -20.750 1.00 0.00 C ATOM 381 C GLN A 28 -6.574 -7.944 -19.903 1.00 0.00 C ATOM 382 O GLN A 28 -6.270 -9.063 -20.318 1.00 0.00 O ATOM 383 CB GLN A 28 -5.435 -5.663 -20.024 1.00 0.00 C ATOM 384 CG GLN A 28 -4.004 -6.100 -19.782 1.00 0.00 C ATOM 385 CD GLN A 28 -3.823 -6.730 -18.402 1.00 0.00 C ATOM 386 OE1 GLN A 28 -3.885 -8.045 -18.322 1.00 0.00 O flip ATOM 387 NE2 GLN A 28 -3.660 -6.037 -17.398 1.00 0.00 N flip ATOM 0 H GLN A 28 -7.388 -4.906 -20.681 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.873 -7.118 -21.654 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.425 -4.741 -20.606 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.896 -5.430 -19.064 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.709 -6.816 -20.549 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.341 -5.240 -19.878 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.615 -5.021 -17.481 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.570 -6.478 -16.483 1.00 0.00 H new ATOM 396 N ALA A 29 -7.162 -7.752 -18.723 1.00 0.00 N ATOM 397 CA ALA A 29 -7.556 -8.889 -17.877 1.00 0.00 C ATOM 398 C ALA A 29 -8.558 -9.831 -18.570 1.00 0.00 C ATOM 399 O ALA A 29 -8.479 -11.051 -18.418 1.00 0.00 O ATOM 400 CB ALA A 29 -8.146 -8.294 -16.596 1.00 0.00 C ATOM 0 H ALA A 29 -7.376 -6.835 -18.331 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.687 -9.511 -17.664 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.456 -9.099 -15.930 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.394 -7.681 -16.099 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.009 -7.677 -16.845 1.00 0.00 H new ATOM 406 N ALA A 30 -9.508 -9.272 -19.318 1.00 0.00 N ATOM 407 CA ALA A 30 -10.631 -10.082 -19.833 1.00 0.00 C ATOM 408 C ALA A 30 -10.277 -10.978 -21.033 1.00 0.00 C ATOM 409 O ALA A 30 -10.545 -12.181 -20.995 1.00 0.00 O ATOM 410 CB ALA A 30 -11.798 -9.163 -20.198 1.00 0.00 C ATOM 0 H ALA A 30 -9.532 -8.287 -19.581 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.904 -10.764 -19.028 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.627 -9.761 -20.578 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.121 -8.616 -19.312 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.479 -8.456 -20.964 1.00 0.00 H new ATOM 416 N SER A 31 -9.644 -10.437 -22.074 1.00 0.00 N ATOM 417 CA SER A 31 -9.095 -11.280 -23.154 1.00 0.00 C ATOM 418 C SER A 31 -8.071 -12.337 -22.704 1.00 0.00 C ATOM 419 O SER A 31 -7.944 -13.384 -23.341 1.00 0.00 O ATOM 420 CB SER A 31 -8.454 -10.370 -24.208 1.00 0.00 C ATOM 421 OG SER A 31 -9.419 -9.475 -24.742 1.00 0.00 O ATOM 0 H SER A 31 -9.496 -9.435 -22.199 1.00 0.00 H new ATOM 0 HA SER A 31 -9.937 -11.846 -23.552 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.634 -9.807 -23.762 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.027 -10.974 -25.008 1.00 0.00 H new ATOM 0 HG SER A 31 -8.995 -8.899 -25.412 1.00 0.00 H new ATOM 427 N LYS A 32 -7.382 -12.111 -21.589 1.00 0.00 N ATOM 428 CA LYS A 32 -6.550 -13.152 -20.986 1.00 0.00 C ATOM 429 C LYS A 32 -7.408 -14.030 -20.066 1.00 0.00 C ATOM 430 O LYS A 32 -8.285 -14.766 -20.524 1.00 0.00 O ATOM 431 CB LYS A 32 -5.377 -12.438 -20.289 1.00 0.00 C ATOM 432 CG LYS A 32 -4.414 -11.767 -21.278 1.00 0.00 C ATOM 433 CD LYS A 32 -3.248 -11.093 -20.547 1.00 0.00 C ATOM 434 CE LYS A 32 -2.308 -10.346 -21.499 1.00 0.00 C ATOM 435 NZ LYS A 32 -1.601 -11.276 -22.397 1.00 0.00 N ATOM 0 H LYS A 32 -7.382 -11.223 -21.086 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.131 -13.842 -21.718 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.771 -11.686 -19.606 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.826 -13.159 -19.686 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.028 -12.511 -21.975 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.953 -11.026 -21.869 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.642 -10.394 -19.809 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.682 -11.847 -20.001 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.880 -9.631 -22.090 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.582 -9.774 -20.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.911 -10.749 -22.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.105 -11.994 -21.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.287 -11.742 -23.024 1.00 0.00 H new ATOM 449 N LYS A 33 -7.119 -13.988 -18.776 1.00 0.00 N ATOM 450 CA LYS A 33 -7.717 -14.937 -17.818 1.00 0.00 C ATOM 451 C LYS A 33 -7.792 -14.392 -16.381 1.00 0.00 C ATOM 452 O LYS A 33 -8.109 -15.115 -15.436 1.00 0.00 O ATOM 453 CB LYS A 33 -6.839 -16.196 -17.831 1.00 0.00 C ATOM 454 CG LYS A 33 -7.622 -17.491 -17.609 1.00 0.00 C ATOM 455 CD LYS A 33 -8.593 -17.751 -18.768 1.00 0.00 C ATOM 456 CE LYS A 33 -9.359 -19.069 -18.623 1.00 0.00 C ATOM 457 NZ LYS A 33 -8.457 -20.229 -18.722 1.00 0.00 N ATOM 0 H LYS A 33 -6.478 -13.314 -18.357 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.745 -15.133 -18.123 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.318 -16.256 -18.787 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.077 -16.105 -17.057 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.929 -18.328 -17.515 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.176 -17.429 -16.672 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.305 -16.928 -18.829 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.037 -17.762 -19.705 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.875 -19.088 -17.663 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.124 -19.134 -19.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.019 -21.104 -18.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.885 -20.151 -19.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.830 -20.253 -17.893 1.00 0.00 H new ATOM 471 N VAL A 34 -7.551 -13.099 -16.234 1.00 0.00 N ATOM 472 CA VAL A 34 -7.788 -12.404 -14.957 1.00 0.00 C ATOM 473 C VAL A 34 -9.117 -11.629 -14.967 1.00 0.00 C ATOM 474 O VAL A 34 -9.521 -11.047 -15.973 1.00 0.00 O ATOM 475 CB VAL A 34 -6.609 -11.436 -14.689 1.00 0.00 C ATOM 476 CG1 VAL A 34 -6.660 -10.899 -13.255 1.00 0.00 C ATOM 477 CG2 VAL A 34 -5.233 -12.083 -14.895 1.00 0.00 C ATOM 0 H VAL A 34 -7.191 -12.500 -16.977 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.854 -13.148 -14.163 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.727 -10.632 -15.415 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.822 -10.221 -13.090 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.596 -10.363 -13.100 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.598 -11.730 -12.553 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.452 -11.350 -14.691 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.123 -12.929 -14.216 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.145 -12.430 -15.924 1.00 0.00 H new ATOM 487 N LYS A 35 -9.722 -11.506 -13.789 1.00 0.00 N ATOM 488 CA LYS A 35 -10.769 -10.491 -13.577 1.00 0.00 C ATOM 489 C LYS A 35 -10.369 -9.720 -12.322 1.00 0.00 C ATOM 490 O LYS A 35 -9.967 -10.294 -11.307 1.00 0.00 O ATOM 491 CB LYS A 35 -12.157 -11.125 -13.429 1.00 0.00 C ATOM 492 CG LYS A 35 -13.357 -10.178 -13.311 1.00 0.00 C ATOM 493 CD LYS A 35 -14.661 -10.973 -13.195 1.00 0.00 C ATOM 494 CE LYS A 35 -15.865 -10.037 -13.068 1.00 0.00 C ATOM 495 NZ LYS A 35 -17.107 -10.817 -12.958 1.00 0.00 N ATOM 0 H LYS A 35 -9.515 -12.083 -12.974 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.844 -9.827 -14.438 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.324 -11.774 -14.288 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.143 -11.763 -12.545 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.237 -9.537 -12.438 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.399 -9.525 -14.183 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.782 -11.610 -14.071 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.614 -11.631 -12.327 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.748 -9.400 -12.191 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -15.916 -9.379 -13.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -17.917 -10.170 -12.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.223 -11.407 -13.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -17.061 -11.427 -12.117 1.00 0.00 H new ATOM 509 N PHE A 36 -10.533 -8.411 -12.389 1.00 0.00 N ATOM 510 CA PHE A 36 -10.328 -7.588 -11.184 1.00 0.00 C ATOM 511 C PHE A 36 -11.667 -7.515 -10.441 1.00 0.00 C ATOM 512 O PHE A 36 -12.739 -7.384 -11.034 1.00 0.00 O ATOM 513 CB PHE A 36 -9.760 -6.183 -11.500 1.00 0.00 C ATOM 514 CG PHE A 36 -8.425 -6.248 -12.235 1.00 0.00 C ATOM 515 CD1 PHE A 36 -7.326 -6.796 -11.641 1.00 0.00 C ATOM 516 CD2 PHE A 36 -8.325 -5.756 -13.500 1.00 0.00 C ATOM 517 CE1 PHE A 36 -6.148 -6.860 -12.311 1.00 0.00 C ATOM 518 CE2 PHE A 36 -7.144 -5.813 -14.166 1.00 0.00 C ATOM 519 CZ PHE A 36 -6.059 -6.372 -13.576 1.00 0.00 C ATOM 0 H PHE A 36 -10.798 -7.897 -13.229 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.570 -8.054 -10.554 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.479 -5.631 -12.106 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.633 -5.628 -10.571 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.394 -7.180 -10.634 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.190 -5.318 -13.976 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.281 -7.299 -11.839 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.068 -5.413 -15.166 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.123 -6.430 -14.112 1.00 0.00 H new ATOM 529 N VAL A 37 -11.580 -7.608 -9.118 1.00 0.00 N ATOM 530 CA VAL A 37 -12.795 -7.708 -8.280 1.00 0.00 C ATOM 531 C VAL A 37 -12.927 -6.507 -7.333 1.00 0.00 C ATOM 532 O VAL A 37 -14.038 -6.102 -6.985 1.00 0.00 O ATOM 533 CB VAL A 37 -12.836 -9.007 -7.438 1.00 0.00 C ATOM 534 CG1 VAL A 37 -14.184 -9.198 -6.747 1.00 0.00 C ATOM 535 CG2 VAL A 37 -12.584 -10.274 -8.246 1.00 0.00 C ATOM 0 H VAL A 37 -10.702 -7.617 -8.599 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.630 -7.721 -8.980 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.032 -8.870 -6.715 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.168 -10.121 -6.168 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.375 -8.356 -6.082 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -14.973 -9.254 -7.497 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.629 -11.141 -7.587 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.344 -10.368 -9.021 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.598 -10.221 -8.709 1.00 0.00 H new ATOM 545 N ASP A 38 -11.802 -6.001 -6.839 1.00 0.00 N ATOM 546 CA ASP A 38 -11.817 -5.220 -5.597 1.00 0.00 C ATOM 547 C ASP A 38 -11.240 -3.843 -5.893 1.00 0.00 C ATOM 548 O ASP A 38 -10.121 -3.707 -6.389 1.00 0.00 O ATOM 549 CB ASP A 38 -11.045 -5.941 -4.483 1.00 0.00 C ATOM 550 CG ASP A 38 -11.535 -7.371 -4.291 1.00 0.00 C ATOM 551 OD1 ASP A 38 -12.539 -7.591 -3.585 1.00 0.00 O ATOM 552 OD2 ASP A 38 -10.908 -8.285 -4.867 1.00 0.00 O ATOM 0 H ASP A 38 -10.882 -6.112 -7.266 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.839 -5.109 -5.236 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -9.982 -5.950 -4.724 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.155 -5.390 -3.549 1.00 0.00 H new ATOM 557 N GLN A 39 -12.054 -2.822 -5.659 1.00 0.00 N ATOM 558 CA GLN A 39 -11.763 -1.507 -6.245 1.00 0.00 C ATOM 559 C GLN A 39 -11.467 -0.542 -5.121 1.00 0.00 C ATOM 560 O GLN A 39 -12.332 -0.237 -4.298 1.00 0.00 O ATOM 561 CB GLN A 39 -12.932 -0.953 -7.074 1.00 0.00 C ATOM 562 CG GLN A 39 -13.700 -2.061 -7.788 1.00 0.00 C ATOM 563 CD GLN A 39 -14.683 -1.521 -8.823 1.00 0.00 C ATOM 564 OE1 GLN A 39 -14.324 -1.236 -9.964 1.00 0.00 O ATOM 565 NE2 GLN A 39 -15.937 -1.371 -8.438 1.00 0.00 N ATOM 0 H GLN A 39 -12.897 -2.867 -5.087 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.913 -1.623 -6.917 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.611 -0.403 -6.422 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.552 -0.244 -7.809 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.993 -2.730 -8.278 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.243 -2.654 -7.052 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -16.211 -1.614 -7.486 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.632 -1.012 -9.093 1.00 0.00 H new ATOM 574 N PHE A 40 -10.228 -0.083 -5.084 1.00 0.00 N ATOM 575 CA PHE A 40 -9.801 0.750 -3.956 1.00 0.00 C ATOM 576 C PHE A 40 -9.391 2.107 -4.524 1.00 0.00 C ATOM 577 O PHE A 40 -8.554 2.207 -5.418 1.00 0.00 O ATOM 578 CB PHE A 40 -8.684 0.119 -3.118 1.00 0.00 C ATOM 579 CG PHE A 40 -8.977 -1.186 -2.373 1.00 0.00 C ATOM 580 CD1 PHE A 40 -10.232 -1.699 -2.209 1.00 0.00 C ATOM 581 CD2 PHE A 40 -7.919 -1.859 -1.846 1.00 0.00 C ATOM 582 CE1 PHE A 40 -10.418 -2.868 -1.546 1.00 0.00 C ATOM 583 CE2 PHE A 40 -8.103 -3.024 -1.171 1.00 0.00 C ATOM 584 CZ PHE A 40 -9.355 -3.530 -1.024 1.00 0.00 C ATOM 0 H PHE A 40 -9.516 -0.261 -5.792 1.00 0.00 H new ATOM 0 HA PHE A 40 -10.631 0.857 -3.257 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.835 -0.060 -3.778 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.365 0.857 -2.382 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -11.084 -1.170 -2.610 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -6.921 -1.463 -1.965 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.413 -3.272 -1.434 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.256 -3.546 -0.752 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.504 -4.458 -0.492 1.00 0.00 H new ATOM 594 N LEU A 41 -10.067 3.146 -4.062 1.00 0.00 N ATOM 595 CA LEU A 41 -9.739 4.509 -4.505 1.00 0.00 C ATOM 596 C LEU A 41 -8.708 5.071 -3.510 1.00 0.00 C ATOM 597 O LEU A 41 -8.711 4.716 -2.330 1.00 0.00 O ATOM 598 CB LEU A 41 -11.096 5.236 -4.504 1.00 0.00 C ATOM 599 CG LEU A 41 -11.166 6.602 -5.201 1.00 0.00 C ATOM 600 CD1 LEU A 41 -12.626 6.902 -5.553 1.00 0.00 C ATOM 601 CD2 LEU A 41 -10.643 7.733 -4.313 1.00 0.00 C ATOM 0 H LEU A 41 -10.834 3.085 -3.392 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.287 4.602 -5.492 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.830 4.580 -4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.405 5.370 -3.468 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.540 6.552 -6.092 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.689 7.871 -6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.006 6.128 -6.219 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.223 6.922 -4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.713 8.679 -4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.241 7.787 -3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.602 7.540 -4.053 1.00 0.00 H new ATOM 613 N ILE A 42 -7.816 5.950 -3.961 1.00 0.00 N ATOM 614 CA ILE A 42 -6.751 6.452 -3.074 1.00 0.00 C ATOM 615 C ILE A 42 -7.258 7.258 -1.861 1.00 0.00 C ATOM 616 O ILE A 42 -6.737 7.098 -0.758 1.00 0.00 O ATOM 617 CB ILE A 42 -5.664 7.133 -3.939 1.00 0.00 C ATOM 618 CG1 ILE A 42 -4.390 7.445 -3.148 1.00 0.00 C ATOM 619 CG2 ILE A 42 -6.115 8.425 -4.629 1.00 0.00 C ATOM 620 CD1 ILE A 42 -3.894 6.246 -2.340 1.00 0.00 C ATOM 0 H ILE A 42 -7.801 6.326 -4.909 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.279 5.610 -2.568 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.461 6.387 -4.708 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.608 7.764 -3.837 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.580 8.280 -2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.290 8.833 -5.213 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.956 8.211 -5.289 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.421 9.152 -3.876 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.989 6.521 -1.799 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.663 5.942 -1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.675 5.418 -3.014 1.00 0.00 H new ATOM 632 N ASN A 43 -8.273 8.103 -2.033 1.00 0.00 N ATOM 633 CA ASN A 43 -8.806 8.867 -0.889 1.00 0.00 C ATOM 634 C ASN A 43 -9.773 8.053 -0.007 1.00 0.00 C ATOM 635 O ASN A 43 -9.826 8.274 1.205 1.00 0.00 O ATOM 636 CB ASN A 43 -9.527 10.125 -1.399 1.00 0.00 C ATOM 637 CG ASN A 43 -8.601 11.091 -2.139 1.00 0.00 C ATOM 638 OD1 ASN A 43 -8.462 11.043 -3.360 1.00 0.00 O ATOM 639 ND2 ASN A 43 -7.957 11.983 -1.407 1.00 0.00 N ATOM 0 H ASN A 43 -8.737 8.279 -2.924 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.951 9.132 -0.267 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.337 9.827 -2.064 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.982 10.643 -0.555 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.329 12.651 -1.853 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.088 12.003 -0.396 1.00 0.00 H new ATOM 646 N LYS A 44 -10.509 7.093 -0.570 1.00 0.00 N ATOM 647 CA LYS A 44 -11.424 6.276 0.242 1.00 0.00 C ATOM 648 C LYS A 44 -10.702 5.157 1.010 1.00 0.00 C ATOM 649 O LYS A 44 -11.128 4.801 2.109 1.00 0.00 O ATOM 650 CB LYS A 44 -12.515 5.685 -0.660 1.00 0.00 C ATOM 651 CG LYS A 44 -13.467 6.749 -1.221 1.00 0.00 C ATOM 652 CD LYS A 44 -14.578 6.105 -2.055 1.00 0.00 C ATOM 653 CE LYS A 44 -15.536 7.141 -2.653 1.00 0.00 C ATOM 654 NZ LYS A 44 -16.318 7.819 -1.605 1.00 0.00 N ATOM 0 H LYS A 44 -10.494 6.862 -1.563 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.870 6.929 0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.046 5.152 -1.487 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.090 4.952 -0.094 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.906 7.318 -0.401 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.908 7.455 -1.836 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.132 5.520 -2.859 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.141 5.411 -1.431 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.968 7.879 -3.220 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.212 6.651 -3.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.038 8.426 -2.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.785 7.109 -1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.685 8.402 -1.022 1.00 0.00 H new ATOM 668 N LEU A 45 -9.611 4.606 0.472 1.00 0.00 N ATOM 669 CA LEU A 45 -8.837 3.607 1.236 1.00 0.00 C ATOM 670 C LEU A 45 -8.068 4.242 2.405 1.00 0.00 C ATOM 671 O LEU A 45 -8.023 3.710 3.514 1.00 0.00 O ATOM 672 CB LEU A 45 -7.793 2.996 0.294 1.00 0.00 C ATOM 673 CG LEU A 45 -7.175 1.681 0.799 1.00 0.00 C ATOM 674 CD1 LEU A 45 -8.216 0.562 0.908 1.00 0.00 C ATOM 675 CD2 LEU A 45 -6.055 1.244 -0.149 1.00 0.00 C ATOM 0 H LEU A 45 -9.248 4.820 -0.457 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.537 2.871 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.257 2.816 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.995 3.721 0.136 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.777 1.864 1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.736 -0.348 1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.999 0.860 1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.655 0.377 -0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.618 0.312 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.463 1.093 -1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.286 2.016 -0.184 1.00 0.00 H new ATOM 687 N ASN A 46 -7.505 5.416 2.140 1.00 0.00 N ATOM 688 CA ASN A 46 -6.805 6.187 3.182 1.00 0.00 C ATOM 689 C ASN A 46 -7.753 6.764 4.253 1.00 0.00 C ATOM 690 O ASN A 46 -7.333 7.005 5.385 1.00 0.00 O ATOM 691 CB ASN A 46 -6.008 7.301 2.483 1.00 0.00 C ATOM 692 CG ASN A 46 -5.110 8.092 3.434 1.00 0.00 C ATOM 693 OD1 ASN A 46 -3.916 7.587 3.696 1.00 0.00 O flip ATOM 694 ND2 ASN A 46 -5.478 9.154 3.932 1.00 0.00 N flip ATOM 0 H ASN A 46 -7.515 5.859 1.221 1.00 0.00 H new ATOM 0 HA ASN A 46 -6.139 5.517 3.726 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.394 6.860 1.697 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.704 7.986 1.998 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.403 9.525 3.716 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -4.858 9.664 4.561 1.00 0.00 H new ATOM 701 N ASP A 47 -9.028 6.969 3.920 1.00 0.00 N ATOM 702 CA ASP A 47 -10.009 7.389 4.936 1.00 0.00 C ATOM 703 C ASP A 47 -10.497 6.193 5.775 1.00 0.00 C ATOM 704 O ASP A 47 -10.749 6.347 6.971 1.00 0.00 O ATOM 705 CB ASP A 47 -11.175 8.134 4.262 1.00 0.00 C ATOM 706 CG ASP A 47 -12.189 8.678 5.264 1.00 0.00 C ATOM 707 OD1 ASP A 47 -11.929 9.738 5.870 1.00 0.00 O ATOM 708 OD2 ASP A 47 -13.251 8.045 5.452 1.00 0.00 O ATOM 0 H ASP A 47 -9.405 6.856 2.979 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.523 8.076 5.629 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -10.779 8.959 3.669 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.680 7.459 3.571 1.00 0.00 H new ATOM 713 N GLY A 48 -10.633 5.012 5.170 1.00 0.00 N ATOM 714 CA GLY A 48 -11.047 3.824 5.927 1.00 0.00 C ATOM 715 C GLY A 48 -12.370 3.194 5.470 1.00 0.00 C ATOM 716 O GLY A 48 -12.952 2.394 6.204 1.00 0.00 O ATOM 0 H GLY A 48 -10.467 4.851 4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.260 3.073 5.855 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.135 4.094 6.979 1.00 0.00 H new ATOM 720 N SER A 49 -12.870 3.545 4.286 1.00 0.00 N ATOM 721 CA SER A 49 -14.174 3.032 3.836 1.00 0.00 C ATOM 722 C SER A 49 -14.140 1.563 3.378 1.00 0.00 C ATOM 723 O SER A 49 -15.112 0.838 3.589 1.00 0.00 O ATOM 724 CB SER A 49 -14.688 3.915 2.694 1.00 0.00 C ATOM 725 OG SER A 49 -14.841 5.257 3.135 1.00 0.00 O ATOM 0 H SER A 49 -12.406 4.171 3.628 1.00 0.00 H new ATOM 0 HA SER A 49 -14.842 3.067 4.696 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.992 3.878 1.856 1.00 0.00 H new ATOM 0 HB3 SER A 49 -15.643 3.533 2.332 1.00 0.00 H new ATOM 0 HG SER A 49 -15.168 5.809 2.395 1.00 0.00 H new ATOM 731 N ILE A 50 -13.056 1.122 2.736 1.00 0.00 N ATOM 732 CA ILE A 50 -13.097 -0.160 2.014 1.00 0.00 C ATOM 733 C ILE A 50 -12.145 -1.139 2.695 1.00 0.00 C ATOM 734 O ILE A 50 -10.921 -0.996 2.684 1.00 0.00 O ATOM 735 CB ILE A 50 -12.692 0.000 0.535 1.00 0.00 C ATOM 736 CG1 ILE A 50 -13.250 1.310 -0.039 1.00 0.00 C ATOM 737 CG2 ILE A 50 -13.128 -1.211 -0.302 1.00 0.00 C ATOM 738 CD1 ILE A 50 -12.853 1.482 -1.492 1.00 0.00 C ATOM 0 H ILE A 50 -12.163 1.613 2.698 1.00 0.00 H new ATOM 0 HA ILE A 50 -14.121 -0.533 2.039 1.00 0.00 H new ATOM 0 HB ILE A 50 -11.604 0.047 0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.337 1.315 0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -12.880 2.153 0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -12.826 -1.064 -1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -12.656 -2.112 0.089 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -14.212 -1.317 -0.251 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -13.262 2.418 -1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -11.766 1.501 -1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -13.245 0.650 -2.077 1.00 0.00 H new ATOM 750 N THR A 51 -12.763 -2.142 3.292 1.00 0.00 N ATOM 751 CA THR A 51 -12.011 -3.273 3.848 1.00 0.00 C ATOM 752 C THR A 51 -12.736 -4.529 3.370 1.00 0.00 C ATOM 753 O THR A 51 -13.908 -4.736 3.690 1.00 0.00 O ATOM 754 CB THR A 51 -11.959 -3.171 5.381 1.00 0.00 C ATOM 755 OG1 THR A 51 -11.329 -1.953 5.753 1.00 0.00 O ATOM 756 CG2 THR A 51 -11.170 -4.328 5.995 1.00 0.00 C ATOM 0 H THR A 51 -13.774 -2.205 3.408 1.00 0.00 H new ATOM 0 HA THR A 51 -10.973 -3.289 3.516 1.00 0.00 H new ATOM 0 HB THR A 51 -12.984 -3.209 5.751 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.297 -1.886 6.730 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.154 -4.223 7.080 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.644 -5.273 5.729 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.149 -4.314 5.615 1.00 0.00 H new ATOM 764 N LEU A 52 -12.069 -5.334 2.545 1.00 0.00 N ATOM 765 CA LEU A 52 -12.815 -6.286 1.710 1.00 0.00 C ATOM 766 C LEU A 52 -12.358 -7.741 1.891 1.00 0.00 C ATOM 767 O LEU A 52 -13.181 -8.604 2.197 1.00 0.00 O ATOM 768 CB LEU A 52 -12.839 -5.683 0.289 1.00 0.00 C ATOM 769 CG LEU A 52 -13.788 -6.331 -0.725 1.00 0.00 C ATOM 770 CD1 LEU A 52 -15.229 -6.432 -0.214 1.00 0.00 C ATOM 771 CD2 LEU A 52 -13.754 -5.449 -1.979 1.00 0.00 C ATOM 0 H LEU A 52 -11.055 -5.353 2.434 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.854 -6.406 2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -13.101 -4.628 0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -11.828 -5.729 -0.116 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.460 -7.352 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -15.853 -6.899 -0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -15.252 -7.035 0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -15.609 -5.434 0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -14.416 -5.868 -2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -14.085 -4.442 -1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.737 -5.409 -2.368 1.00 0.00 H new ATOM 783 N GLU A 53 -11.066 -8.020 1.753 1.00 0.00 N ATOM 784 CA GLU A 53 -10.532 -9.321 2.203 1.00 0.00 C ATOM 785 C GLU A 53 -9.074 -9.130 2.651 1.00 0.00 C ATOM 786 O GLU A 53 -8.446 -8.103 2.389 1.00 0.00 O ATOM 787 CB GLU A 53 -10.575 -10.395 1.097 1.00 0.00 C ATOM 788 CG GLU A 53 -11.987 -10.776 0.641 1.00 0.00 C ATOM 789 CD GLU A 53 -11.960 -11.919 -0.367 1.00 0.00 C ATOM 790 OE1 GLU A 53 -11.506 -13.027 -0.010 1.00 0.00 O ATOM 791 OE2 GLU A 53 -12.399 -11.716 -1.520 1.00 0.00 O ATOM 0 H GLU A 53 -10.377 -7.388 1.346 1.00 0.00 H new ATOM 0 HA GLU A 53 -11.160 -9.668 3.024 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -10.013 -10.035 0.235 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -10.068 -11.290 1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -12.584 -11.066 1.506 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -12.473 -9.908 0.195 1.00 0.00 H new ATOM 798 N ASN A 54 -8.517 -10.157 3.286 1.00 0.00 N ATOM 799 CA ASN A 54 -7.072 -10.185 3.572 1.00 0.00 C ATOM 800 C ASN A 54 -6.355 -11.390 2.939 1.00 0.00 C ATOM 801 O ASN A 54 -5.614 -12.098 3.620 1.00 0.00 O ATOM 802 CB ASN A 54 -6.864 -10.095 5.092 1.00 0.00 C ATOM 803 CG ASN A 54 -7.582 -11.166 5.919 1.00 0.00 C ATOM 804 OD1 ASN A 54 -8.405 -10.742 6.862 1.00 0.00 O flip ATOM 805 ND2 ASN A 54 -7.403 -12.369 5.726 1.00 0.00 N flip ATOM 0 H ASN A 54 -9.031 -10.976 3.612 1.00 0.00 H new ATOM 0 HA ASN A 54 -6.606 -9.319 3.101 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -5.796 -10.156 5.299 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -7.199 -9.114 5.430 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.764 -12.678 4.994 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.894 -13.056 6.298 1.00 0.00 H new ATOM 812 N ALA A 55 -6.570 -11.654 1.652 1.00 0.00 N ATOM 813 CA ALA A 55 -6.071 -12.924 1.090 1.00 0.00 C ATOM 814 C ALA A 55 -5.876 -12.952 -0.437 1.00 0.00 C ATOM 815 O ALA A 55 -4.743 -12.849 -0.910 1.00 0.00 O ATOM 816 CB ALA A 55 -6.979 -14.066 1.564 1.00 0.00 C ATOM 0 H ALA A 55 -7.061 -11.044 0.999 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.057 -13.048 1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.620 -15.010 1.155 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.965 -14.114 2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.998 -13.886 1.222 1.00 0.00 H new ATOM 822 N LYS A 56 -6.920 -13.278 -1.200 1.00 0.00 N ATOM 823 CA LYS A 56 -6.723 -13.742 -2.587 1.00 0.00 C ATOM 824 C LYS A 56 -6.967 -12.659 -3.628 1.00 0.00 C ATOM 825 O LYS A 56 -7.817 -12.784 -4.506 1.00 0.00 O ATOM 826 CB LYS A 56 -7.601 -14.963 -2.857 1.00 0.00 C ATOM 827 CG LYS A 56 -7.024 -16.161 -2.112 1.00 0.00 C ATOM 828 CD LYS A 56 -7.932 -17.382 -2.255 1.00 0.00 C ATOM 829 CE LYS A 56 -7.491 -18.515 -1.326 1.00 0.00 C ATOM 830 NZ LYS A 56 -8.376 -19.680 -1.484 1.00 0.00 N ATOM 0 H LYS A 56 -7.893 -13.234 -0.897 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.672 -14.017 -2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.623 -14.772 -2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.642 -15.169 -3.927 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.032 -16.393 -2.501 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.903 -15.914 -1.057 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.960 -17.102 -2.027 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.918 -17.729 -3.288 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.463 -18.798 -1.550 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.510 -18.174 -0.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.065 -20.441 -0.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.352 -19.409 -1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.338 -20.014 -2.468 1.00 0.00 H new ATOM 844 N TYR A 57 -6.163 -11.616 -3.564 1.00 0.00 N ATOM 845 CA TYR A 57 -6.090 -10.643 -4.669 1.00 0.00 C ATOM 846 C TYR A 57 -4.726 -10.692 -5.387 1.00 0.00 C ATOM 847 O TYR A 57 -4.296 -9.628 -5.832 1.00 0.00 O ATOM 848 CB TYR A 57 -6.460 -9.195 -4.336 1.00 0.00 C ATOM 849 CG TYR A 57 -7.673 -8.970 -3.438 1.00 0.00 C ATOM 850 CD1 TYR A 57 -8.752 -9.804 -3.431 1.00 0.00 C ATOM 851 CD2 TYR A 57 -7.698 -7.842 -2.680 1.00 0.00 C ATOM 852 CE1 TYR A 57 -9.799 -9.556 -2.605 1.00 0.00 C ATOM 853 CE2 TYR A 57 -8.760 -7.575 -1.877 1.00 0.00 C ATOM 854 CZ TYR A 57 -9.809 -8.436 -1.838 1.00 0.00 C ATOM 855 OH TYR A 57 -10.913 -8.132 -1.090 1.00 0.00 O ATOM 0 H TYR A 57 -5.552 -11.410 -2.774 1.00 0.00 H new ATOM 0 HA TYR A 57 -6.881 -10.982 -5.338 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.598 -8.728 -3.861 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -6.632 -8.667 -5.274 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.773 -10.664 -4.084 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.867 -7.153 -2.717 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.625 -10.250 -2.558 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.770 -6.681 -1.271 1.00 0.00 H new ATOM 0 HH TYR A 57 -11.677 -7.976 -1.683 1.00 0.00 H new ATOM 865 N GLU A 58 -3.954 -11.792 -5.312 1.00 0.00 N ATOM 866 CA GLU A 58 -2.494 -11.792 -5.615 1.00 0.00 C ATOM 867 C GLU A 58 -2.090 -11.391 -7.064 1.00 0.00 C ATOM 868 O GLU A 58 -1.110 -11.882 -7.627 1.00 0.00 O ATOM 869 CB GLU A 58 -1.957 -13.228 -5.427 1.00 0.00 C ATOM 870 CG GLU A 58 -2.335 -13.910 -4.106 1.00 0.00 C ATOM 871 CD GLU A 58 -1.844 -15.351 -4.099 1.00 0.00 C ATOM 872 OE1 GLU A 58 -0.615 -15.573 -4.121 1.00 0.00 O ATOM 873 OE2 GLU A 58 -2.690 -16.274 -4.071 1.00 0.00 O ATOM 0 H GLU A 58 -4.314 -12.707 -5.042 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.080 -11.043 -4.940 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.321 -13.843 -6.250 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.870 -13.203 -5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.898 -13.365 -3.269 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.417 -13.886 -3.972 1.00 0.00 H new ATOM 880 N THR A 59 -2.825 -10.455 -7.645 1.00 0.00 N ATOM 881 CA THR A 59 -2.436 -9.801 -8.903 1.00 0.00 C ATOM 882 C THR A 59 -2.972 -8.378 -8.781 1.00 0.00 C ATOM 883 O THR A 59 -4.167 -8.136 -8.617 1.00 0.00 O ATOM 884 CB THR A 59 -2.902 -10.532 -10.176 1.00 0.00 C ATOM 885 OG1 THR A 59 -1.844 -11.347 -10.663 1.00 0.00 O ATOM 886 CG2 THR A 59 -3.386 -9.611 -11.289 1.00 0.00 C ATOM 0 H THR A 59 -3.710 -10.121 -7.264 1.00 0.00 H new ATOM 0 HA THR A 59 -1.354 -9.817 -9.032 1.00 0.00 H new ATOM 0 HB THR A 59 -3.765 -11.131 -9.884 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.044 -11.208 -10.114 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.695 -10.208 -12.147 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.232 -9.023 -10.933 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.578 -8.942 -11.585 1.00 0.00 H new ATOM 894 N VAL A 60 -2.037 -7.449 -8.755 1.00 0.00 N ATOM 895 CA VAL A 60 -2.338 -6.086 -8.312 1.00 0.00 C ATOM 896 C VAL A 60 -2.034 -5.137 -9.486 1.00 0.00 C ATOM 897 O VAL A 60 -0.981 -5.234 -10.115 1.00 0.00 O ATOM 898 CB VAL A 60 -1.405 -5.874 -7.106 1.00 0.00 C ATOM 899 CG1 VAL A 60 -1.194 -4.413 -6.739 1.00 0.00 C ATOM 900 CG2 VAL A 60 -1.902 -6.622 -5.870 1.00 0.00 C ATOM 0 H VAL A 60 -1.067 -7.603 -9.031 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.373 -5.905 -8.023 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.445 -6.277 -7.429 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.526 -4.346 -5.881 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.752 -3.886 -7.585 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.153 -3.959 -6.488 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.218 -6.448 -5.040 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.896 -6.263 -5.602 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.948 -7.690 -6.085 1.00 0.00 H new ATOM 910 N HIS A 61 -2.931 -4.195 -9.771 1.00 0.00 N ATOM 911 CA HIS A 61 -2.635 -3.123 -10.738 1.00 0.00 C ATOM 912 C HIS A 61 -2.806 -1.764 -10.029 1.00 0.00 C ATOM 913 O HIS A 61 -3.825 -1.552 -9.373 1.00 0.00 O ATOM 914 CB HIS A 61 -3.560 -3.340 -11.960 1.00 0.00 C ATOM 915 CG HIS A 61 -2.862 -4.216 -12.981 1.00 0.00 C ATOM 916 ND1 HIS A 61 -2.889 -5.606 -12.974 1.00 0.00 N ATOM 917 CD2 HIS A 61 -1.898 -3.741 -13.866 1.00 0.00 C ATOM 918 CE1 HIS A 61 -1.918 -5.834 -13.919 1.00 0.00 C ATOM 919 NE2 HIS A 61 -1.315 -4.784 -14.551 1.00 0.00 N ATOM 0 H HIS A 61 -3.861 -4.146 -9.355 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.609 -3.138 -11.106 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -4.493 -3.807 -11.644 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.819 -2.380 -12.407 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -3.457 -6.258 -12.432 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.643 -2.700 -13.997 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.631 -6.846 -14.163 1.00 0.00 H new ATOM 927 N TYR A 62 -1.875 -0.808 -10.193 1.00 0.00 N ATOM 928 CA TYR A 62 -2.122 0.566 -9.708 1.00 0.00 C ATOM 929 C TYR A 62 -2.060 1.489 -10.932 1.00 0.00 C ATOM 930 O TYR A 62 -1.001 1.739 -11.510 1.00 0.00 O ATOM 931 CB TYR A 62 -1.151 1.023 -8.600 1.00 0.00 C ATOM 932 CG TYR A 62 -1.685 2.028 -7.599 1.00 0.00 C ATOM 933 CD1 TYR A 62 -2.501 3.049 -7.979 1.00 0.00 C ATOM 934 CD2 TYR A 62 -1.218 1.981 -6.322 1.00 0.00 C ATOM 935 CE1 TYR A 62 -2.883 3.991 -7.080 1.00 0.00 C ATOM 936 CE2 TYR A 62 -1.584 2.935 -5.428 1.00 0.00 C ATOM 937 CZ TYR A 62 -2.414 3.941 -5.809 1.00 0.00 C ATOM 938 OH TYR A 62 -2.752 4.926 -4.921 1.00 0.00 O ATOM 0 H TYR A 62 -0.971 -0.951 -10.643 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.101 0.603 -9.231 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.820 0.141 -8.053 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.269 1.452 -9.076 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.846 3.110 -9.001 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.555 1.184 -6.019 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.559 4.779 -7.376 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.215 2.894 -4.414 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.636 5.283 -5.149 1.00 0.00 H new ATOM 948 N LEU A 63 -3.223 2.011 -11.297 1.00 0.00 N ATOM 949 CA LEU A 63 -3.324 3.063 -12.306 1.00 0.00 C ATOM 950 C LEU A 63 -3.447 4.445 -11.646 1.00 0.00 C ATOM 951 O LEU A 63 -4.525 4.858 -11.213 1.00 0.00 O ATOM 952 CB LEU A 63 -4.595 2.704 -13.097 1.00 0.00 C ATOM 953 CG LEU A 63 -4.352 1.821 -14.328 1.00 0.00 C ATOM 954 CD1 LEU A 63 -3.640 0.503 -14.002 1.00 0.00 C ATOM 955 CD2 LEU A 63 -5.712 1.503 -14.946 1.00 0.00 C ATOM 0 H LEU A 63 -4.120 1.721 -10.906 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.443 3.120 -12.945 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.290 2.193 -12.431 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.081 3.626 -13.417 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.701 2.370 -15.008 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.501 -0.071 -14.918 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.669 0.715 -13.555 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.244 -0.073 -13.301 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.574 0.875 -15.826 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.329 0.976 -14.217 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.206 2.430 -15.236 1.00 0.00 H new ATOM 967 N THR A 64 -2.339 5.179 -11.628 1.00 0.00 N ATOM 968 CA THR A 64 -2.382 6.613 -11.284 1.00 0.00 C ATOM 969 C THR A 64 -1.826 7.342 -12.531 1.00 0.00 C ATOM 970 O THR A 64 -0.976 6.784 -13.228 1.00 0.00 O ATOM 971 CB THR A 64 -1.504 6.849 -10.038 1.00 0.00 C ATOM 972 OG1 THR A 64 -1.853 5.917 -9.026 1.00 0.00 O ATOM 973 CG2 THR A 64 -1.663 8.247 -9.437 1.00 0.00 C ATOM 0 H THR A 64 -1.409 4.820 -11.843 1.00 0.00 H new ATOM 0 HA THR A 64 -3.381 6.976 -11.043 1.00 0.00 H new ATOM 0 HB THR A 64 -0.473 6.732 -10.372 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.810 5.714 -9.084 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.017 8.344 -8.564 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.385 8.996 -10.179 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.700 8.399 -9.139 1.00 0.00 H new ATOM 981 N PRO A 65 -2.158 8.608 -12.806 1.00 0.00 N ATOM 982 CA PRO A 65 -1.487 9.380 -13.861 1.00 0.00 C ATOM 983 C PRO A 65 0.000 9.675 -13.609 1.00 0.00 C ATOM 984 O PRO A 65 0.413 10.037 -12.507 1.00 0.00 O ATOM 985 CB PRO A 65 -2.303 10.674 -13.888 1.00 0.00 C ATOM 986 CG PRO A 65 -3.013 10.745 -12.537 1.00 0.00 C ATOM 987 CD PRO A 65 -3.296 9.287 -12.187 1.00 0.00 C ATOM 0 HA PRO A 65 -1.463 8.824 -14.798 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.658 11.540 -14.037 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -3.021 10.667 -14.708 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.387 11.222 -11.783 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.933 11.325 -12.601 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.333 9.124 -11.110 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -4.248 8.945 -12.594 1.00 0.00 H new ATOM 995 N GLU A 66 0.797 9.465 -14.655 1.00 0.00 N ATOM 996 CA GLU A 66 2.267 9.501 -14.520 1.00 0.00 C ATOM 997 C GLU A 66 2.884 10.591 -15.423 1.00 0.00 C ATOM 998 O GLU A 66 4.038 10.473 -15.837 1.00 0.00 O ATOM 999 CB GLU A 66 2.885 8.138 -14.893 1.00 0.00 C ATOM 1000 CG GLU A 66 2.333 6.936 -14.114 1.00 0.00 C ATOM 1001 CD GLU A 66 1.337 6.103 -14.918 1.00 0.00 C ATOM 1002 OE1 GLU A 66 0.541 6.674 -15.695 1.00 0.00 O ATOM 1003 OE2 GLU A 66 1.345 4.862 -14.771 1.00 0.00 O ATOM 0 H GLU A 66 0.463 9.270 -15.599 1.00 0.00 H new ATOM 0 HA GLU A 66 2.489 9.731 -13.478 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.727 7.964 -15.957 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.962 8.190 -14.735 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.162 6.300 -13.805 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.848 7.292 -13.205 1.00 0.00 H new ATOM 1010 N ALA A 67 2.163 11.683 -15.690 1.00 0.00 N ATOM 1011 CA ALA A 67 2.771 12.842 -16.370 1.00 0.00 C ATOM 1012 C ALA A 67 3.183 13.998 -15.446 1.00 0.00 C ATOM 1013 O ALA A 67 4.085 14.760 -15.796 1.00 0.00 O ATOM 1014 CB ALA A 67 1.769 13.356 -17.405 1.00 0.00 C ATOM 0 H ALA A 67 1.177 11.794 -15.454 1.00 0.00 H new ATOM 0 HA ALA A 67 3.700 12.490 -16.819 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.192 14.215 -17.925 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.552 12.567 -18.125 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.848 13.653 -16.904 1.00 0.00 H new ATOM 1020 N GLN A 68 2.584 14.127 -14.263 1.00 0.00 N ATOM 1021 CA GLN A 68 3.104 15.089 -13.276 1.00 0.00 C ATOM 1022 C GLN A 68 4.387 14.557 -12.629 1.00 0.00 C ATOM 1023 O GLN A 68 4.560 13.351 -12.438 1.00 0.00 O ATOM 1024 CB GLN A 68 2.044 15.349 -12.196 1.00 0.00 C ATOM 1025 CG GLN A 68 0.809 16.069 -12.747 1.00 0.00 C ATOM 1026 CD GLN A 68 -0.207 16.350 -11.645 1.00 0.00 C ATOM 1027 OE1 GLN A 68 -0.071 17.297 -10.871 1.00 0.00 O ATOM 1028 NE2 GLN A 68 -1.242 15.532 -11.558 1.00 0.00 N ATOM 0 H GLN A 68 1.764 13.599 -13.965 1.00 0.00 H new ATOM 0 HA GLN A 68 3.336 16.023 -13.788 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.740 14.400 -11.754 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.483 15.947 -11.397 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.110 17.007 -13.214 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.347 15.460 -13.524 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -1.333 14.754 -12.211 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.949 15.679 -10.838 1.00 0.00 H new ATOM 1037 N THR A 69 5.265 15.478 -12.238 1.00 0.00 N ATOM 1038 CA THR A 69 6.429 15.100 -11.415 1.00 0.00 C ATOM 1039 C THR A 69 6.203 15.583 -9.977 1.00 0.00 C ATOM 1040 O THR A 69 6.817 16.544 -9.506 1.00 0.00 O ATOM 1041 CB THR A 69 7.707 15.676 -12.048 1.00 0.00 C ATOM 1042 OG1 THR A 69 7.792 15.261 -13.405 1.00 0.00 O ATOM 1043 CG2 THR A 69 8.970 15.192 -11.329 1.00 0.00 C ATOM 0 H THR A 69 5.203 16.470 -12.467 1.00 0.00 H new ATOM 0 HA THR A 69 6.550 14.017 -11.378 1.00 0.00 H new ATOM 0 HB THR A 69 7.648 16.761 -11.967 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.605 15.629 -13.809 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.849 15.623 -11.808 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.937 15.504 -10.285 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.024 14.105 -11.381 1.00 0.00 H new ATOM 1051 N ASP A 70 5.321 14.884 -9.267 1.00 0.00 N ATOM 1052 CA ASP A 70 5.166 15.097 -7.822 1.00 0.00 C ATOM 1053 C ASP A 70 5.099 13.715 -7.153 1.00 0.00 C ATOM 1054 O ASP A 70 5.178 12.679 -7.819 1.00 0.00 O ATOM 1055 CB ASP A 70 3.888 15.907 -7.548 1.00 0.00 C ATOM 1056 CG ASP A 70 3.962 17.338 -8.071 1.00 0.00 C ATOM 1057 OD1 ASP A 70 4.587 18.191 -7.405 1.00 0.00 O ATOM 1058 OD2 ASP A 70 3.397 17.615 -9.152 1.00 0.00 O ATOM 0 H ASP A 70 4.706 14.171 -9.659 1.00 0.00 H new ATOM 0 HA ASP A 70 6.006 15.662 -7.418 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.039 15.402 -8.009 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.702 15.928 -6.474 1.00 0.00 H new ATOM 1063 N ILE A 71 4.984 13.672 -5.828 1.00 0.00 N ATOM 1064 CA ILE A 71 5.135 12.378 -5.139 1.00 0.00 C ATOM 1065 C ILE A 71 3.763 11.699 -5.013 1.00 0.00 C ATOM 1066 O ILE A 71 2.720 12.345 -4.904 1.00 0.00 O ATOM 1067 CB ILE A 71 5.814 12.545 -3.762 1.00 0.00 C ATOM 1068 CG1 ILE A 71 5.054 13.510 -2.832 1.00 0.00 C ATOM 1069 CG2 ILE A 71 7.271 12.990 -3.947 1.00 0.00 C ATOM 1070 CD1 ILE A 71 5.595 13.510 -1.402 1.00 0.00 C ATOM 0 H ILE A 71 4.796 14.474 -5.226 1.00 0.00 H new ATOM 0 HA ILE A 71 5.788 11.739 -5.733 1.00 0.00 H new ATOM 0 HB ILE A 71 5.794 11.572 -3.270 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.114 14.520 -3.238 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.999 13.235 -2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.743 13.106 -2.971 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.810 12.239 -4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.296 13.942 -4.477 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.019 14.209 -0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.510 12.508 -0.981 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.642 13.813 -1.409 1.00 0.00 H new ATOM 1082 N LYS A 72 3.797 10.372 -5.026 1.00 0.00 N ATOM 1083 CA LYS A 72 2.523 9.619 -5.133 1.00 0.00 C ATOM 1084 C LYS A 72 1.899 9.037 -3.844 1.00 0.00 C ATOM 1085 O LYS A 72 0.710 9.256 -3.610 1.00 0.00 O ATOM 1086 CB LYS A 72 2.694 8.488 -6.162 1.00 0.00 C ATOM 1087 CG LYS A 72 2.837 8.996 -7.602 1.00 0.00 C ATOM 1088 CD LYS A 72 3.078 7.831 -8.563 1.00 0.00 C ATOM 1089 CE LYS A 72 3.236 8.320 -10.004 1.00 0.00 C ATOM 1090 NZ LYS A 72 3.506 7.183 -10.896 1.00 0.00 N ATOM 0 H LYS A 72 4.642 9.804 -4.968 1.00 0.00 H new ATOM 0 HA LYS A 72 1.806 10.384 -5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.574 7.900 -5.902 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.835 7.820 -6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.936 9.535 -7.894 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.665 9.702 -7.664 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.973 7.288 -8.261 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.245 7.130 -8.504 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.330 8.835 -10.323 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.051 9.041 -10.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.696 7.533 -11.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.334 6.658 -10.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.679 6.552 -10.914 1.00 0.00 H new ATOM 1104 N PHE A 73 2.569 8.105 -3.166 1.00 0.00 N ATOM 1105 CA PHE A 73 1.849 7.167 -2.286 1.00 0.00 C ATOM 1106 C PHE A 73 2.513 7.114 -0.909 1.00 0.00 C ATOM 1107 O PHE A 73 3.742 7.187 -0.822 1.00 0.00 O ATOM 1108 CB PHE A 73 1.966 5.825 -3.039 1.00 0.00 C ATOM 1109 CG PHE A 73 1.144 4.641 -2.555 1.00 0.00 C ATOM 1110 CD1 PHE A 73 -0.123 4.797 -2.084 1.00 0.00 C ATOM 1111 CD2 PHE A 73 1.652 3.388 -2.707 1.00 0.00 C ATOM 1112 CE1 PHE A 73 -0.853 3.715 -1.715 1.00 0.00 C ATOM 1113 CE2 PHE A 73 0.907 2.305 -2.373 1.00 0.00 C ATOM 1114 CZ PHE A 73 -0.320 2.472 -1.822 1.00 0.00 C ATOM 0 H PHE A 73 3.580 7.975 -3.202 1.00 0.00 H new ATOM 0 HA PHE A 73 0.813 7.445 -2.094 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.702 6.007 -4.081 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.015 5.528 -3.023 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.549 5.786 -2.004 1.00 0.00 H new ATOM 0 HD2 PHE A 73 2.651 3.255 -3.095 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -1.857 3.843 -1.337 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.291 1.311 -2.546 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.874 1.615 -1.468 1.00 0.00 H new ATOM 1124 N PRO A 74 1.771 6.866 0.178 1.00 0.00 N ATOM 1125 CA PRO A 74 2.398 6.717 1.490 1.00 0.00 C ATOM 1126 C PRO A 74 2.948 5.299 1.683 1.00 0.00 C ATOM 1127 O PRO A 74 2.410 4.323 1.157 1.00 0.00 O ATOM 1128 CB PRO A 74 1.237 7.008 2.443 1.00 0.00 C ATOM 1129 CG PRO A 74 0.142 7.679 1.625 1.00 0.00 C ATOM 1130 CD PRO A 74 0.323 7.103 0.233 1.00 0.00 C ATOM 0 HA PRO A 74 3.256 7.372 1.644 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.870 6.087 2.895 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.561 7.656 3.258 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.848 7.457 2.024 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.250 8.764 1.626 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.245 6.183 0.097 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.005 7.798 -0.540 1.00 0.00 H new ATOM 1138 N LYS A 75 4.016 5.184 2.465 1.00 0.00 N ATOM 1139 CA LYS A 75 4.557 3.854 2.809 1.00 0.00 C ATOM 1140 C LYS A 75 3.576 2.969 3.608 1.00 0.00 C ATOM 1141 O LYS A 75 3.496 1.754 3.402 1.00 0.00 O ATOM 1142 CB LYS A 75 5.870 3.997 3.594 1.00 0.00 C ATOM 1143 CG LYS A 75 6.977 4.692 2.793 1.00 0.00 C ATOM 1144 CD LYS A 75 8.275 4.765 3.602 1.00 0.00 C ATOM 1145 CE LYS A 75 9.380 5.479 2.818 1.00 0.00 C ATOM 1146 NZ LYS A 75 10.612 5.537 3.618 1.00 0.00 N ATOM 0 H LYS A 75 4.522 5.971 2.870 1.00 0.00 H new ATOM 0 HA LYS A 75 4.733 3.351 1.858 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.681 4.562 4.507 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.215 3.008 3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.153 4.150 1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.657 5.698 2.520 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.093 5.291 4.539 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.602 3.758 3.860 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.570 4.954 1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.058 6.488 2.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.355 6.023 3.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.429 6.057 4.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.925 4.571 3.844 1.00 0.00 H new ATOM 1160 N LYS A 76 2.846 3.574 4.548 1.00 0.00 N ATOM 1161 CA LYS A 76 1.909 2.810 5.392 1.00 0.00 C ATOM 1162 C LYS A 76 0.814 2.084 4.595 1.00 0.00 C ATOM 1163 O LYS A 76 0.388 0.994 4.982 1.00 0.00 O ATOM 1164 CB LYS A 76 1.263 3.739 6.431 1.00 0.00 C ATOM 1165 CG LYS A 76 2.281 4.294 7.435 1.00 0.00 C ATOM 1166 CD LYS A 76 1.601 5.168 8.491 1.00 0.00 C ATOM 1167 CE LYS A 76 2.621 5.707 9.496 1.00 0.00 C ATOM 1168 NZ LYS A 76 1.952 6.538 10.508 1.00 0.00 N ATOM 0 H LYS A 76 2.880 4.574 4.746 1.00 0.00 H new ATOM 0 HA LYS A 76 2.500 2.038 5.884 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.774 4.567 5.919 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.487 3.194 6.969 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.801 3.469 7.922 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.035 4.878 6.907 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.089 5.999 8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.841 4.588 9.014 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.137 4.878 9.980 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.378 6.294 8.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.657 6.897 11.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.479 7.339 10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.246 5.967 11.015 1.00 0.00 H new ATOM 1182 N LEU A 77 0.384 2.635 3.460 1.00 0.00 N ATOM 1183 CA LEU A 77 -0.610 1.913 2.644 1.00 0.00 C ATOM 1184 C LEU A 77 0.039 0.760 1.856 1.00 0.00 C ATOM 1185 O LEU A 77 -0.603 -0.269 1.672 1.00 0.00 O ATOM 1186 CB LEU A 77 -1.386 2.814 1.667 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.053 4.042 2.296 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -2.852 4.811 1.240 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -2.987 3.662 3.449 1.00 0.00 C ATOM 0 H LEU A 77 0.687 3.536 3.091 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.327 1.517 3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.702 3.152 0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.154 2.215 1.178 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.255 4.669 2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.321 5.681 1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.183 5.138 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.622 4.162 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.437 4.563 3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.771 3.002 3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.418 3.150 4.225 1.00 0.00 H new ATOM 1201 N ILE A 78 1.312 0.853 1.461 1.00 0.00 N ATOM 1202 CA ILE A 78 2.027 -0.303 0.907 1.00 0.00 C ATOM 1203 C ILE A 78 2.132 -1.445 1.943 1.00 0.00 C ATOM 1204 O ILE A 78 2.015 -2.609 1.558 1.00 0.00 O ATOM 1205 CB ILE A 78 3.403 0.226 0.449 1.00 0.00 C ATOM 1206 CG1 ILE A 78 3.351 1.214 -0.721 1.00 0.00 C ATOM 1207 CG2 ILE A 78 4.364 -0.914 0.142 1.00 0.00 C ATOM 1208 CD1 ILE A 78 4.686 1.917 -0.989 1.00 0.00 C ATOM 0 H ILE A 78 1.866 1.708 1.513 1.00 0.00 H new ATOM 0 HA ILE A 78 1.496 -0.743 0.063 1.00 0.00 H new ATOM 0 HB ILE A 78 3.777 0.795 1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.043 0.682 -1.621 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.588 1.966 -0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.323 -0.506 -0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.508 -1.520 1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.951 -1.534 -0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.575 2.601 -1.830 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.987 2.477 -0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.448 1.174 -1.224 1.00 0.00 H new ATOM 1220 N SER A 79 2.334 -1.162 3.238 1.00 0.00 N ATOM 1221 CA SER A 79 2.320 -2.253 4.231 1.00 0.00 C ATOM 1222 C SER A 79 0.918 -2.870 4.417 1.00 0.00 C ATOM 1223 O SER A 79 0.787 -4.090 4.537 1.00 0.00 O ATOM 1224 CB SER A 79 2.905 -1.767 5.563 1.00 0.00 C ATOM 1225 OG SER A 79 2.102 -0.746 6.136 1.00 0.00 O ATOM 0 H SER A 79 2.503 -0.229 3.614 1.00 0.00 H new ATOM 0 HA SER A 79 2.951 -3.054 3.846 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.982 -2.605 6.256 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.916 -1.391 5.404 1.00 0.00 H new ATOM 0 HG SER A 79 1.582 -0.305 5.432 1.00 0.00 H new ATOM 1231 N VAL A 80 -0.130 -2.046 4.410 1.00 0.00 N ATOM 1232 CA VAL A 80 -1.510 -2.573 4.469 1.00 0.00 C ATOM 1233 C VAL A 80 -1.883 -3.375 3.203 1.00 0.00 C ATOM 1234 O VAL A 80 -2.546 -4.408 3.306 1.00 0.00 O ATOM 1235 CB VAL A 80 -2.506 -1.421 4.732 1.00 0.00 C ATOM 1236 CG1 VAL A 80 -3.963 -1.899 4.733 1.00 0.00 C ATOM 1237 CG2 VAL A 80 -2.236 -0.750 6.085 1.00 0.00 C ATOM 0 H VAL A 80 -0.062 -1.029 4.365 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.567 -3.276 5.300 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.358 -0.712 3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.623 -1.053 4.922 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.203 -2.337 3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.100 -2.647 5.514 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.953 0.056 6.241 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.338 -1.486 6.883 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.225 -0.343 6.094 1.00 0.00 H new ATOM 1247 N LEU A 81 -1.471 -2.923 2.016 1.00 0.00 N ATOM 1248 CA LEU A 81 -1.707 -3.680 0.788 1.00 0.00 C ATOM 1249 C LEU A 81 -0.958 -5.023 0.766 1.00 0.00 C ATOM 1250 O LEU A 81 -1.504 -6.027 0.307 1.00 0.00 O ATOM 1251 CB LEU A 81 -1.241 -2.793 -0.384 1.00 0.00 C ATOM 1252 CG LEU A 81 -2.312 -1.964 -1.116 1.00 0.00 C ATOM 1253 CD1 LEU A 81 -3.622 -2.717 -1.362 1.00 0.00 C ATOM 1254 CD2 LEU A 81 -2.573 -0.654 -0.377 1.00 0.00 C ATOM 0 H LEU A 81 -0.975 -2.042 1.881 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.767 -3.925 0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.484 -2.106 -0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.752 -3.434 -1.118 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.903 -1.751 -2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.324 -2.065 -1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.426 -3.599 -1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.050 -3.024 -0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.333 -0.081 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.922 -0.869 0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.651 -0.075 -0.327 1.00 0.00 H new ATOM 1266 N ALA A 82 0.280 -5.058 1.263 1.00 0.00 N ATOM 1267 CA ALA A 82 1.016 -6.325 1.378 1.00 0.00 C ATOM 1268 C ALA A 82 0.378 -7.314 2.369 1.00 0.00 C ATOM 1269 O ALA A 82 0.519 -8.528 2.208 1.00 0.00 O ATOM 1270 CB ALA A 82 2.441 -5.989 1.822 1.00 0.00 C ATOM 0 H ALA A 82 0.791 -4.238 1.589 1.00 0.00 H new ATOM 0 HA ALA A 82 0.998 -6.822 0.408 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.018 -6.908 1.918 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.910 -5.342 1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.411 -5.477 2.784 1.00 0.00 H new ATOM 1276 N ASP A 83 -0.301 -6.813 3.404 1.00 0.00 N ATOM 1277 CA ASP A 83 -0.933 -7.703 4.397 1.00 0.00 C ATOM 1278 C ASP A 83 -2.143 -8.513 3.878 1.00 0.00 C ATOM 1279 O ASP A 83 -2.632 -9.426 4.547 1.00 0.00 O ATOM 1280 CB ASP A 83 -1.307 -6.859 5.625 1.00 0.00 C ATOM 1281 CG ASP A 83 -1.717 -7.698 6.830 1.00 0.00 C ATOM 1282 OD1 ASP A 83 -0.830 -8.282 7.488 1.00 0.00 O ATOM 1283 OD2 ASP A 83 -2.931 -7.775 7.128 1.00 0.00 O ATOM 0 H ASP A 83 -0.429 -5.817 3.580 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.203 -8.471 4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.458 -6.232 5.899 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.126 -6.189 5.362 1.00 0.00 H new ATOM 1288 N SER A 84 -2.614 -8.184 2.684 1.00 0.00 N ATOM 1289 CA SER A 84 -3.764 -8.869 2.080 1.00 0.00 C ATOM 1290 C SER A 84 -3.386 -9.938 1.038 1.00 0.00 C ATOM 1291 O SER A 84 -4.232 -10.349 0.243 1.00 0.00 O ATOM 1292 CB SER A 84 -4.593 -7.774 1.406 1.00 0.00 C ATOM 1293 OG SER A 84 -5.086 -6.849 2.367 1.00 0.00 O ATOM 0 H SER A 84 -2.219 -7.443 2.105 1.00 0.00 H new ATOM 0 HA SER A 84 -4.302 -9.408 2.860 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.982 -7.250 0.671 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.427 -8.223 0.866 1.00 0.00 H new ATOM 0 HG SER A 84 -5.612 -6.156 1.915 1.00 0.00 H new ATOM 1299 N LEU A 85 -2.132 -10.386 1.012 1.00 0.00 N ATOM 1300 CA LEU A 85 -1.643 -11.201 -0.100 1.00 0.00 C ATOM 1301 C LEU A 85 -0.922 -12.452 0.432 1.00 0.00 C ATOM 1302 O LEU A 85 -0.940 -12.771 1.621 1.00 0.00 O ATOM 1303 CB LEU A 85 -0.632 -10.324 -0.862 1.00 0.00 C ATOM 1304 CG LEU A 85 -1.126 -8.949 -1.343 1.00 0.00 C ATOM 1305 CD1 LEU A 85 0.028 -8.196 -2.012 1.00 0.00 C ATOM 1306 CD2 LEU A 85 -2.281 -9.077 -2.343 1.00 0.00 C ATOM 0 H LEU A 85 -1.442 -10.201 1.740 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.466 -11.527 -0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.234 -10.167 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.286 -10.883 -1.731 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.487 -8.403 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.322 -7.222 -2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.838 -8.060 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.391 -8.770 -2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.601 -8.084 -2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.948 -9.644 -3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.116 -9.594 -1.870 1.00 0.00 H new ATOM 1318 N LYS A 86 -0.334 -13.195 -0.500 1.00 0.00 N ATOM 1319 CA LYS A 86 0.227 -14.522 -0.214 1.00 0.00 C ATOM 1320 C LYS A 86 1.549 -14.606 -1.008 1.00 0.00 C ATOM 1321 O LYS A 86 1.866 -13.692 -1.775 1.00 0.00 O ATOM 1322 CB LYS A 86 -0.786 -15.590 -0.659 1.00 0.00 C ATOM 1323 CG LYS A 86 -1.983 -15.708 0.291 1.00 0.00 C ATOM 1324 CD LYS A 86 -2.952 -16.797 -0.181 1.00 0.00 C ATOM 1325 CE LYS A 86 -4.182 -16.915 0.725 1.00 0.00 C ATOM 1326 NZ LYS A 86 -3.821 -17.407 2.065 1.00 0.00 N ATOM 0 H LYS A 86 -0.230 -12.901 -1.471 1.00 0.00 H new ATOM 0 HA LYS A 86 0.423 -14.686 0.846 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.145 -15.349 -1.660 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.284 -16.555 -0.725 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.632 -15.939 1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.504 -14.752 0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.273 -16.577 -1.199 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.432 -17.755 -0.210 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.666 -15.942 0.812 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.906 -17.592 0.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.685 -17.556 2.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.306 -18.306 1.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.217 -16.707 2.541 1.00 0.00 H new ATOM 1340 N PRO A 87 2.361 -15.663 -0.881 1.00 0.00 N ATOM 1341 CA PRO A 87 3.717 -15.653 -1.464 1.00 0.00 C ATOM 1342 C PRO A 87 3.856 -15.501 -2.996 1.00 0.00 C ATOM 1343 O PRO A 87 4.939 -15.159 -3.471 1.00 0.00 O ATOM 1344 CB PRO A 87 4.351 -16.945 -0.934 1.00 0.00 C ATOM 1345 CG PRO A 87 3.260 -17.676 -0.146 1.00 0.00 C ATOM 1346 CD PRO A 87 2.246 -16.603 0.236 1.00 0.00 C ATOM 0 HA PRO A 87 4.223 -14.737 -1.159 1.00 0.00 H new ATOM 0 HB2 PRO A 87 4.716 -17.563 -1.755 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.207 -16.724 -0.297 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.797 -18.457 -0.749 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.672 -18.159 0.740 1.00 0.00 H new ATOM 0 HD2 PRO A 87 1.238 -17.008 0.326 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.488 -16.134 1.190 1.00 0.00 H new ATOM 1354 N ASN A 88 2.794 -15.710 -3.775 1.00 0.00 N ATOM 1355 CA ASN A 88 2.818 -15.324 -5.206 1.00 0.00 C ATOM 1356 C ASN A 88 2.042 -14.010 -5.425 1.00 0.00 C ATOM 1357 O ASN A 88 1.278 -13.880 -6.384 1.00 0.00 O ATOM 1358 CB ASN A 88 2.264 -16.464 -6.091 1.00 0.00 C ATOM 1359 CG ASN A 88 2.982 -17.796 -5.880 1.00 0.00 C ATOM 1360 OD1 ASN A 88 2.466 -18.714 -5.243 1.00 0.00 O ATOM 1361 ND2 ASN A 88 4.186 -17.920 -6.410 1.00 0.00 N ATOM 0 H ASN A 88 1.921 -16.133 -3.459 1.00 0.00 H new ATOM 0 HA ASN A 88 3.853 -15.152 -5.502 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.202 -16.594 -5.881 1.00 0.00 H new ATOM 0 HB3 ASN A 88 2.349 -16.175 -7.139 1.00 0.00 H new ATOM 0 HD21 ASN A 88 4.707 -18.789 -6.295 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.595 -17.146 -6.934 1.00 0.00 H new ATOM 1368 N GLY A 89 2.261 -13.012 -4.567 1.00 0.00 N ATOM 1369 CA GLY A 89 1.696 -11.676 -4.801 1.00 0.00 C ATOM 1370 C GLY A 89 2.468 -11.019 -5.935 1.00 0.00 C ATOM 1371 O GLY A 89 3.665 -11.259 -6.069 1.00 0.00 O ATOM 0 H GLY A 89 2.816 -13.097 -3.716 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.639 -11.751 -5.056 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.764 -11.072 -3.896 1.00 0.00 H new ATOM 1375 N SER A 90 1.816 -10.237 -6.787 1.00 0.00 N ATOM 1376 CA SER A 90 2.515 -9.726 -7.971 1.00 0.00 C ATOM 1377 C SER A 90 1.930 -8.340 -8.255 1.00 0.00 C ATOM 1378 O SER A 90 0.771 -8.173 -8.634 1.00 0.00 O ATOM 1379 CB SER A 90 2.322 -10.675 -9.163 1.00 0.00 C ATOM 1380 OG SER A 90 0.947 -10.827 -9.482 1.00 0.00 O ATOM 0 H SER A 90 0.842 -9.948 -6.693 1.00 0.00 H new ATOM 0 HA SER A 90 3.590 -9.659 -7.802 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.858 -10.288 -10.030 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.753 -11.648 -8.930 1.00 0.00 H new ATOM 0 HG SER A 90 0.473 -11.210 -8.714 1.00 0.00 H new ATOM 1386 N LEU A 91 2.757 -7.342 -8.011 1.00 0.00 N ATOM 1387 CA LEU A 91 2.373 -5.945 -8.075 1.00 0.00 C ATOM 1388 C LEU A 91 2.696 -5.436 -9.477 1.00 0.00 C ATOM 1389 O LEU A 91 3.838 -5.579 -9.903 1.00 0.00 O ATOM 1390 CB LEU A 91 3.334 -5.259 -7.082 1.00 0.00 C ATOM 1391 CG LEU A 91 2.890 -3.823 -6.832 1.00 0.00 C ATOM 1392 CD1 LEU A 91 2.397 -3.618 -5.398 1.00 0.00 C ATOM 1393 CD2 LEU A 91 4.037 -2.870 -7.152 1.00 0.00 C ATOM 0 H LEU A 91 3.735 -7.483 -7.757 1.00 0.00 H new ATOM 0 HA LEU A 91 1.320 -5.768 -7.854 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.353 -5.811 -6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.349 -5.270 -7.479 1.00 0.00 H new ATOM 0 HG LEU A 91 2.048 -3.609 -7.490 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.090 -2.581 -5.263 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.548 -4.275 -5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.201 -3.852 -4.700 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.718 -1.843 -6.973 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.891 -3.101 -6.515 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.323 -2.984 -8.198 1.00 0.00 H new ATOM 1405 N ILE A 92 1.768 -4.782 -10.164 1.00 0.00 N ATOM 1406 CA ILE A 92 2.123 -4.102 -11.423 1.00 0.00 C ATOM 1407 C ILE A 92 1.980 -2.607 -11.230 1.00 0.00 C ATOM 1408 O ILE A 92 0.921 -2.015 -11.453 1.00 0.00 O ATOM 1409 CB ILE A 92 1.281 -4.591 -12.596 1.00 0.00 C ATOM 1410 CG1 ILE A 92 1.445 -6.097 -12.831 1.00 0.00 C ATOM 1411 CG2 ILE A 92 1.628 -3.831 -13.889 1.00 0.00 C ATOM 1412 CD1 ILE A 92 2.923 -6.456 -12.874 1.00 0.00 C ATOM 0 H ILE A 92 0.789 -4.703 -9.889 1.00 0.00 H new ATOM 0 HA ILE A 92 3.157 -4.341 -11.670 1.00 0.00 H new ATOM 0 HB ILE A 92 0.242 -4.394 -12.333 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.949 -6.654 -12.036 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.965 -6.382 -13.767 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.011 -4.203 -14.707 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.440 -2.767 -13.747 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.680 -3.984 -14.130 1.00 0.00 H new ATOM 0 HD11 ILE A 92 3.032 -7.528 -13.041 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.406 -5.911 -13.685 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.390 -6.187 -11.927 1.00 0.00 H new ATOM 1424 N GLY A 93 3.044 -2.036 -10.696 1.00 0.00 N ATOM 1425 CA GLY A 93 2.909 -0.675 -10.181 1.00 0.00 C ATOM 1426 C GLY A 93 4.043 0.335 -10.303 1.00 0.00 C ATOM 1427 O GLY A 93 4.001 1.265 -11.110 1.00 0.00 O ATOM 0 H GLY A 93 3.967 -2.460 -10.607 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.039 -0.236 -10.669 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.671 -0.759 -9.121 1.00 0.00 H new ATOM 1431 N LEU A 94 4.968 0.251 -9.359 1.00 0.00 N ATOM 1432 CA LEU A 94 5.478 1.466 -8.708 1.00 0.00 C ATOM 1433 C LEU A 94 6.978 1.643 -9.007 1.00 0.00 C ATOM 1434 O LEU A 94 7.716 0.697 -9.285 1.00 0.00 O ATOM 1435 CB LEU A 94 5.311 1.347 -7.189 1.00 0.00 C ATOM 1436 CG LEU A 94 3.906 1.302 -6.559 1.00 0.00 C ATOM 1437 CD1 LEU A 94 3.942 0.333 -5.378 1.00 0.00 C ATOM 1438 CD2 LEU A 94 3.522 2.651 -5.975 1.00 0.00 C ATOM 0 H LEU A 94 5.379 -0.621 -9.026 1.00 0.00 H new ATOM 0 HA LEU A 94 4.918 2.319 -9.091 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.832 0.442 -6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.838 2.189 -6.740 1.00 0.00 H new ATOM 0 HG LEU A 94 3.198 1.009 -7.334 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.956 0.286 -4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.226 -0.659 -5.730 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.670 0.680 -4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.526 2.588 -5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.240 2.931 -5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.525 3.403 -6.764 1.00 0.00 H new ATOM 1450 N SER A 95 7.365 2.909 -9.100 1.00 0.00 N ATOM 1451 CA SER A 95 8.570 3.296 -9.856 1.00 0.00 C ATOM 1452 C SER A 95 9.853 3.421 -9.000 1.00 0.00 C ATOM 1453 O SER A 95 10.234 2.472 -8.315 1.00 0.00 O ATOM 1454 CB SER A 95 8.208 4.567 -10.645 1.00 0.00 C ATOM 1455 OG SER A 95 7.883 5.636 -9.767 1.00 0.00 O ATOM 0 H SER A 95 6.871 3.689 -8.667 1.00 0.00 H new ATOM 0 HA SER A 95 8.847 2.496 -10.543 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.045 4.855 -11.281 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.364 4.363 -11.303 1.00 0.00 H new ATOM 0 HG SER A 95 7.658 6.433 -10.291 1.00 0.00 H new ATOM 1461 N ASP A 96 10.579 4.540 -9.110 1.00 0.00 N ATOM 1462 CA ASP A 96 12.005 4.553 -8.723 1.00 0.00 C ATOM 1463 C ASP A 96 12.285 4.641 -7.216 1.00 0.00 C ATOM 1464 O ASP A 96 13.080 3.851 -6.706 1.00 0.00 O ATOM 1465 CB ASP A 96 12.735 5.690 -9.457 1.00 0.00 C ATOM 1466 CG ASP A 96 12.730 5.515 -10.974 1.00 0.00 C ATOM 1467 OD1 ASP A 96 13.563 4.741 -11.494 1.00 0.00 O ATOM 1468 OD2 ASP A 96 11.892 6.148 -11.650 1.00 0.00 O ATOM 0 H ASP A 96 10.219 5.430 -9.454 1.00 0.00 H new ATOM 0 HA ASP A 96 12.386 3.577 -9.023 1.00 0.00 H new ATOM 0 HB2 ASP A 96 12.265 6.640 -9.204 1.00 0.00 H new ATOM 0 HB3 ASP A 96 13.765 5.741 -9.105 1.00 0.00 H new ATOM 1473 N ILE A 97 11.656 5.560 -6.480 1.00 0.00 N ATOM 1474 CA ILE A 97 11.772 5.530 -4.994 1.00 0.00 C ATOM 1475 C ILE A 97 11.243 4.197 -4.415 1.00 0.00 C ATOM 1476 O ILE A 97 11.663 3.665 -3.374 1.00 0.00 O ATOM 1477 CB ILE A 97 10.992 6.692 -4.325 1.00 0.00 C ATOM 1478 CG1 ILE A 97 11.057 7.980 -5.157 1.00 0.00 C ATOM 1479 CG2 ILE A 97 11.527 6.918 -2.904 1.00 0.00 C ATOM 1480 CD1 ILE A 97 10.339 9.173 -4.520 1.00 0.00 C ATOM 0 H ILE A 97 11.079 6.312 -6.856 1.00 0.00 H new ATOM 0 HA ILE A 97 12.834 5.637 -4.774 1.00 0.00 H new ATOM 0 HB ILE A 97 9.940 6.413 -4.269 1.00 0.00 H new ATOM 0 HG12 ILE A 97 12.102 8.243 -5.319 1.00 0.00 H new ATOM 0 HG13 ILE A 97 10.621 7.789 -6.138 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.979 7.735 -2.434 1.00 0.00 H new ATOM 0 HG22 ILE A 97 11.397 6.009 -2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 97 12.586 7.171 -2.950 1.00 0.00 H new ATOM 0 HD11 ILE A 97 10.432 10.043 -5.170 1.00 0.00 H new ATOM 0 HD12 ILE A 97 9.285 8.933 -4.384 1.00 0.00 H new ATOM 0 HD13 ILE A 97 10.789 9.394 -3.552 1.00 0.00 H new ATOM 1492 N TYR A 98 10.287 3.650 -5.148 1.00 0.00 N ATOM 1493 CA TYR A 98 9.557 2.488 -4.688 1.00 0.00 C ATOM 1494 C TYR A 98 10.409 1.204 -4.846 1.00 0.00 C ATOM 1495 O TYR A 98 10.106 0.190 -4.229 1.00 0.00 O ATOM 1496 CB TYR A 98 8.232 2.483 -5.445 1.00 0.00 C ATOM 1497 CG TYR A 98 7.437 3.760 -5.208 1.00 0.00 C ATOM 1498 CD1 TYR A 98 6.757 3.926 -4.040 1.00 0.00 C ATOM 1499 CD2 TYR A 98 7.461 4.765 -6.122 1.00 0.00 C ATOM 1500 CE1 TYR A 98 6.071 5.074 -3.810 1.00 0.00 C ATOM 1501 CE2 TYR A 98 6.774 5.913 -5.892 1.00 0.00 C ATOM 1502 CZ TYR A 98 6.077 6.068 -4.735 1.00 0.00 C ATOM 1503 OH TYR A 98 5.411 7.239 -4.486 1.00 0.00 O ATOM 0 H TYR A 98 10.001 3.995 -6.064 1.00 0.00 H new ATOM 0 HA TYR A 98 9.340 2.522 -3.620 1.00 0.00 H new ATOM 0 HB2 TYR A 98 8.424 2.368 -6.512 1.00 0.00 H new ATOM 0 HB3 TYR A 98 7.639 1.623 -5.133 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.764 3.143 -3.296 1.00 0.00 H new ATOM 0 HD2 TYR A 98 8.028 4.650 -7.034 1.00 0.00 H new ATOM 0 HE1 TYR A 98 5.519 5.197 -2.890 1.00 0.00 H new ATOM 0 HE2 TYR A 98 6.781 6.703 -6.628 1.00 0.00 H new ATOM 0 HH TYR A 98 5.705 7.924 -5.122 1.00 0.00 H new ATOM 1513 N LYS A 99 11.510 1.240 -5.610 1.00 0.00 N ATOM 1514 CA LYS A 99 12.486 0.132 -5.634 1.00 0.00 C ATOM 1515 C LYS A 99 13.055 -0.184 -4.240 1.00 0.00 C ATOM 1516 O LYS A 99 12.969 -1.321 -3.772 1.00 0.00 O ATOM 1517 CB LYS A 99 13.595 0.527 -6.622 1.00 0.00 C ATOM 1518 CG LYS A 99 14.657 -0.566 -6.792 1.00 0.00 C ATOM 1519 CD LYS A 99 15.807 -0.136 -7.709 1.00 0.00 C ATOM 1520 CE LYS A 99 15.356 0.061 -9.162 1.00 0.00 C ATOM 1521 NZ LYS A 99 16.506 0.419 -10.006 1.00 0.00 N ATOM 0 H LYS A 99 11.750 2.021 -6.220 1.00 0.00 H new ATOM 0 HA LYS A 99 11.993 -0.786 -5.954 1.00 0.00 H new ATOM 0 HB2 LYS A 99 13.149 0.748 -7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.075 1.442 -6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 99 15.058 -0.833 -5.814 1.00 0.00 H new ATOM 0 HG3 LYS A 99 14.188 -1.462 -7.199 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.237 0.794 -7.336 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.595 -0.888 -7.675 1.00 0.00 H new ATOM 0 HE2 LYS A 99 14.893 -0.853 -9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 99 14.600 0.845 -9.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.189 0.550 -10.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.930 1.303 -9.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.214 -0.342 -9.970 1.00 0.00 H new ATOM 1535 N VAL A 100 13.623 0.813 -3.563 1.00 0.00 N ATOM 1536 CA VAL A 100 14.084 0.616 -2.175 1.00 0.00 C ATOM 1537 C VAL A 100 12.903 0.303 -1.231 1.00 0.00 C ATOM 1538 O VAL A 100 13.040 -0.486 -0.292 1.00 0.00 O ATOM 1539 CB VAL A 100 14.873 1.858 -1.702 1.00 0.00 C ATOM 1540 CG1 VAL A 100 15.398 1.682 -0.270 1.00 0.00 C ATOM 1541 CG2 VAL A 100 16.071 2.147 -2.615 1.00 0.00 C ATOM 0 H VAL A 100 13.776 1.750 -3.937 1.00 0.00 H new ATOM 0 HA VAL A 100 14.750 -0.247 -2.148 1.00 0.00 H new ATOM 0 HB VAL A 100 14.173 2.692 -1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 100 15.948 2.575 0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 100 14.559 1.528 0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 100 16.061 0.818 -0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 100 16.602 3.027 -2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 100 16.745 1.290 -2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 100 15.719 2.329 -3.630 1.00 0.00 H new ATOM 1551 N ASP A 101 11.735 0.894 -1.490 1.00 0.00 N ATOM 1552 CA ASP A 101 10.531 0.545 -0.720 1.00 0.00 C ATOM 1553 C ASP A 101 10.111 -0.930 -0.880 1.00 0.00 C ATOM 1554 O ASP A 101 9.745 -1.591 0.094 1.00 0.00 O ATOM 1555 CB ASP A 101 9.411 1.463 -1.217 1.00 0.00 C ATOM 1556 CG ASP A 101 8.859 2.388 -0.138 1.00 0.00 C ATOM 1557 OD1 ASP A 101 8.225 1.890 0.818 1.00 0.00 O ATOM 1558 OD2 ASP A 101 9.050 3.617 -0.246 1.00 0.00 O ATOM 0 H ASP A 101 11.594 1.602 -2.210 1.00 0.00 H new ATOM 0 HA ASP A 101 10.738 0.679 0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.786 2.066 -2.044 1.00 0.00 H new ATOM 0 HB3 ASP A 101 8.599 0.852 -1.611 1.00 0.00 H new ATOM 1563 N ALA A 102 10.174 -1.450 -2.107 1.00 0.00 N ATOM 1564 CA ALA A 102 9.946 -2.878 -2.356 1.00 0.00 C ATOM 1565 C ALA A 102 10.969 -3.759 -1.633 1.00 0.00 C ATOM 1566 O ALA A 102 10.625 -4.810 -1.098 1.00 0.00 O ATOM 1567 CB ALA A 102 10.097 -3.095 -3.858 1.00 0.00 C ATOM 0 H ALA A 102 10.381 -0.906 -2.944 1.00 0.00 H new ATOM 0 HA ALA A 102 8.957 -3.152 -1.988 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.935 -4.147 -4.092 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.363 -2.489 -4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 102 11.101 -2.804 -4.169 1.00 0.00 H new ATOM 1573 N LEU A 103 12.232 -3.329 -1.613 1.00 0.00 N ATOM 1574 CA LEU A 103 13.281 -4.104 -0.928 1.00 0.00 C ATOM 1575 C LEU A 103 12.972 -4.316 0.557 1.00 0.00 C ATOM 1576 O LEU A 103 13.093 -5.417 1.096 1.00 0.00 O ATOM 1577 CB LEU A 103 14.614 -3.339 -1.047 1.00 0.00 C ATOM 1578 CG LEU A 103 15.856 -4.234 -0.927 1.00 0.00 C ATOM 1579 CD1 LEU A 103 16.004 -5.161 -2.140 1.00 0.00 C ATOM 1580 CD2 LEU A 103 17.107 -3.361 -0.803 1.00 0.00 C ATOM 0 H LEU A 103 12.554 -2.467 -2.052 1.00 0.00 H new ATOM 0 HA LEU A 103 13.335 -5.084 -1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 103 14.641 -2.823 -2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 103 14.653 -2.574 -0.272 1.00 0.00 H new ATOM 0 HG LEU A 103 15.737 -4.853 -0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 103 16.894 -5.779 -2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 103 15.125 -5.801 -2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 103 16.098 -4.562 -3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 103 17.988 -3.997 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 103 17.199 -2.730 -1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 103 17.026 -2.733 0.084 1.00 0.00 H new ATOM 1592 N ILE A 104 12.617 -3.220 1.215 1.00 0.00 N ATOM 1593 CA ILE A 104 12.501 -3.212 2.678 1.00 0.00 C ATOM 1594 C ILE A 104 11.183 -3.811 3.183 1.00 0.00 C ATOM 1595 O ILE A 104 11.151 -4.506 4.198 1.00 0.00 O ATOM 1596 CB ILE A 104 12.771 -1.757 3.088 1.00 0.00 C ATOM 1597 CG1 ILE A 104 13.397 -1.700 4.490 1.00 0.00 C ATOM 1598 CG2 ILE A 104 11.539 -0.843 2.991 1.00 0.00 C ATOM 1599 CD1 ILE A 104 13.949 -0.317 4.841 1.00 0.00 C ATOM 0 H ILE A 104 12.405 -2.328 0.768 1.00 0.00 H new ATOM 0 HA ILE A 104 13.224 -3.872 3.157 1.00 0.00 H new ATOM 0 HB ILE A 104 13.482 -1.363 2.362 1.00 0.00 H new ATOM 0 HG12 ILE A 104 12.648 -1.984 5.229 1.00 0.00 H new ATOM 0 HG13 ILE A 104 14.201 -2.433 4.553 1.00 0.00 H new ATOM 0 HG21 ILE A 104 11.811 0.167 3.297 1.00 0.00 H new ATOM 0 HG22 ILE A 104 11.179 -0.826 1.962 1.00 0.00 H new ATOM 0 HG23 ILE A 104 10.753 -1.221 3.645 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.378 -0.340 5.843 1.00 0.00 H new ATOM 0 HD12 ILE A 104 14.720 -0.040 4.122 1.00 0.00 H new ATOM 0 HD13 ILE A 104 13.143 0.416 4.808 1.00 0.00 H new ATOM 1611 N ASN A 105 10.108 -3.585 2.435 1.00 0.00 N ATOM 1612 CA ASN A 105 8.813 -4.184 2.778 1.00 0.00 C ATOM 1613 C ASN A 105 8.757 -5.700 2.526 1.00 0.00 C ATOM 1614 O ASN A 105 7.886 -6.376 3.075 1.00 0.00 O ATOM 1615 CB ASN A 105 7.720 -3.464 1.970 1.00 0.00 C ATOM 1616 CG ASN A 105 6.354 -3.518 2.654 1.00 0.00 C ATOM 1617 OD1 ASN A 105 6.030 -2.694 3.511 1.00 0.00 O ATOM 1618 ND2 ASN A 105 5.530 -4.483 2.289 1.00 0.00 N ATOM 0 H ASN A 105 10.101 -3.001 1.599 1.00 0.00 H new ATOM 0 HA ASN A 105 8.656 -4.057 3.849 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.008 -2.423 1.823 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.646 -3.917 0.981 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.608 -4.555 2.718 1.00 0.00 H new ATOM 0 HD22 ASN A 105 5.816 -5.156 1.578 1.00 0.00 H new ATOM 1625 N GLY A 106 9.658 -6.247 1.710 1.00 0.00 N ATOM 1626 CA GLY A 106 9.627 -7.697 1.458 1.00 0.00 C ATOM 1627 C GLY A 106 9.041 -8.045 0.089 1.00 0.00 C ATOM 1628 O GLY A 106 8.429 -9.098 -0.086 1.00 0.00 O ATOM 0 H GLY A 106 10.395 -5.735 1.225 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.639 -8.096 1.527 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.038 -8.184 2.235 1.00 0.00 H new ATOM 1632 N PHE A 107 9.288 -7.184 -0.889 1.00 0.00 N ATOM 1633 CA PHE A 107 8.886 -7.471 -2.275 1.00 0.00 C ATOM 1634 C PHE A 107 10.155 -7.812 -3.074 1.00 0.00 C ATOM 1635 O PHE A 107 11.278 -7.462 -2.703 1.00 0.00 O ATOM 1636 CB PHE A 107 8.170 -6.294 -2.961 1.00 0.00 C ATOM 1637 CG PHE A 107 6.740 -5.993 -2.542 1.00 0.00 C ATOM 1638 CD1 PHE A 107 6.507 -5.113 -1.533 1.00 0.00 C ATOM 1639 CD2 PHE A 107 5.691 -6.475 -3.269 1.00 0.00 C ATOM 1640 CE1 PHE A 107 5.237 -4.746 -1.221 1.00 0.00 C ATOM 1641 CE2 PHE A 107 4.419 -6.108 -2.956 1.00 0.00 C ATOM 1642 CZ PHE A 107 4.192 -5.250 -1.928 1.00 0.00 C ATOM 0 H PHE A 107 9.759 -6.289 -0.759 1.00 0.00 H new ATOM 0 HA PHE A 107 8.177 -8.298 -2.249 1.00 0.00 H new ATOM 0 HB2 PHE A 107 8.764 -5.396 -2.792 1.00 0.00 H new ATOM 0 HB3 PHE A 107 8.172 -6.481 -4.035 1.00 0.00 H new ATOM 0 HD1 PHE A 107 7.336 -4.703 -0.976 1.00 0.00 H new ATOM 0 HD2 PHE A 107 5.871 -7.149 -4.094 1.00 0.00 H new ATOM 0 HE1 PHE A 107 5.058 -4.054 -0.411 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.589 -6.499 -3.525 1.00 0.00 H new ATOM 0 HZ PHE A 107 3.181 -4.968 -1.673 1.00 0.00 H new ATOM 1652 N GLU A 108 9.953 -8.491 -4.196 1.00 0.00 N ATOM 1653 CA GLU A 108 11.077 -8.936 -5.037 1.00 0.00 C ATOM 1654 C GLU A 108 10.893 -8.377 -6.454 1.00 0.00 C ATOM 1655 O GLU A 108 10.066 -8.849 -7.235 1.00 0.00 O ATOM 1656 CB GLU A 108 11.133 -10.470 -5.036 1.00 0.00 C ATOM 1657 CG GLU A 108 12.377 -11.011 -5.750 1.00 0.00 C ATOM 1658 CD GLU A 108 12.402 -12.533 -5.731 1.00 0.00 C ATOM 1659 OE1 GLU A 108 11.832 -13.157 -6.649 1.00 0.00 O ATOM 1660 OE2 GLU A 108 12.994 -13.112 -4.794 1.00 0.00 O ATOM 0 H GLU A 108 9.032 -8.748 -4.550 1.00 0.00 H new ATOM 0 HA GLU A 108 12.023 -8.564 -4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 108 11.123 -10.830 -4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.240 -10.864 -5.521 1.00 0.00 H new ATOM 0 HG2 GLU A 108 12.391 -10.657 -6.781 1.00 0.00 H new ATOM 0 HG3 GLU A 108 13.274 -10.623 -5.267 1.00 0.00 H new ATOM 1667 N ILE A 109 11.674 -7.350 -6.776 1.00 0.00 N ATOM 1668 CA ILE A 109 11.425 -6.545 -7.972 1.00 0.00 C ATOM 1669 C ILE A 109 12.006 -7.132 -9.261 1.00 0.00 C ATOM 1670 O ILE A 109 13.215 -7.286 -9.438 1.00 0.00 O ATOM 1671 CB ILE A 109 11.860 -5.117 -7.649 1.00 0.00 C ATOM 1672 CG1 ILE A 109 11.430 -4.068 -8.672 1.00 0.00 C ATOM 1673 CG2 ILE A 109 13.361 -4.999 -7.483 1.00 0.00 C ATOM 1674 CD1 ILE A 109 11.700 -2.676 -8.115 1.00 0.00 C ATOM 0 H ILE A 109 12.483 -7.055 -6.229 1.00 0.00 H new ATOM 0 HA ILE A 109 10.361 -6.547 -8.210 1.00 0.00 H new ATOM 0 HB ILE A 109 11.344 -4.910 -6.711 1.00 0.00 H new ATOM 0 HG12 ILE A 109 11.975 -4.210 -9.605 1.00 0.00 H new ATOM 0 HG13 ILE A 109 10.370 -4.181 -8.901 1.00 0.00 H new ATOM 0 HG21 ILE A 109 13.622 -3.966 -7.254 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.689 -5.645 -6.668 1.00 0.00 H new ATOM 0 HG23 ILE A 109 13.854 -5.302 -8.407 1.00 0.00 H new ATOM 0 HD11 ILE A 109 11.393 -1.926 -8.845 1.00 0.00 H new ATOM 0 HD12 ILE A 109 11.135 -2.537 -7.193 1.00 0.00 H new ATOM 0 HD13 ILE A 109 12.765 -2.567 -7.908 1.00 0.00 H new ATOM 1686 N ILE A 110 11.079 -7.559 -10.103 1.00 0.00 N ATOM 1687 CA ILE A 110 11.433 -8.260 -11.344 1.00 0.00 C ATOM 1688 C ILE A 110 11.084 -7.366 -12.536 1.00 0.00 C ATOM 1689 O ILE A 110 9.997 -6.783 -12.637 1.00 0.00 O ATOM 1690 CB ILE A 110 10.756 -9.643 -11.367 1.00 0.00 C ATOM 1691 CG1 ILE A 110 11.142 -10.475 -12.602 1.00 0.00 C ATOM 1692 CG2 ILE A 110 9.225 -9.559 -11.241 1.00 0.00 C ATOM 1693 CD1 ILE A 110 10.852 -11.966 -12.406 1.00 0.00 C ATOM 0 H ILE A 110 10.077 -7.437 -9.958 1.00 0.00 H new ATOM 0 HA ILE A 110 12.504 -8.453 -11.404 1.00 0.00 H new ATOM 0 HB ILE A 110 11.137 -10.158 -10.485 1.00 0.00 H new ATOM 0 HG12 ILE A 110 10.593 -10.110 -13.470 1.00 0.00 H new ATOM 0 HG13 ILE A 110 12.202 -10.337 -12.814 1.00 0.00 H new ATOM 0 HG21 ILE A 110 8.802 -10.564 -11.263 1.00 0.00 H new ATOM 0 HG22 ILE A 110 8.963 -9.076 -10.300 1.00 0.00 H new ATOM 0 HG23 ILE A 110 8.823 -8.978 -12.071 1.00 0.00 H new ATOM 0 HD11 ILE A 110 11.140 -12.514 -13.303 1.00 0.00 H new ATOM 0 HD12 ILE A 110 11.422 -12.339 -11.555 1.00 0.00 H new ATOM 0 HD13 ILE A 110 9.787 -12.108 -12.221 1.00 0.00 H new ATOM 1705 N ASN A 111 12.066 -7.256 -13.423 1.00 0.00 N ATOM 1706 CA ASN A 111 11.961 -6.319 -14.551 1.00 0.00 C ATOM 1707 C ASN A 111 11.782 -7.042 -15.888 1.00 0.00 C ATOM 1708 O ASN A 111 12.714 -7.408 -16.604 1.00 0.00 O ATOM 1709 CB ASN A 111 13.120 -5.321 -14.566 1.00 0.00 C ATOM 1710 CG ASN A 111 14.523 -5.936 -14.566 1.00 0.00 C ATOM 1711 OD1 ASN A 111 14.984 -6.493 -13.572 1.00 0.00 O ATOM 1712 ND2 ASN A 111 15.225 -5.829 -15.680 1.00 0.00 N ATOM 0 H ASN A 111 12.933 -7.792 -13.391 1.00 0.00 H new ATOM 0 HA ASN A 111 11.052 -5.736 -14.403 1.00 0.00 H new ATOM 0 HB2 ASN A 111 13.020 -4.689 -15.448 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.028 -4.671 -13.696 1.00 0.00 H new ATOM 0 HD21 ASN A 111 16.169 -6.213 -15.727 1.00 0.00 H new ATOM 0 HD22 ASN A 111 14.823 -5.363 -16.493 1.00 0.00 H new ATOM 1719 N GLU A 112 10.513 -7.294 -16.140 1.00 0.00 N ATOM 1720 CA GLU A 112 10.061 -8.148 -17.246 1.00 0.00 C ATOM 1721 C GLU A 112 8.923 -7.313 -17.846 1.00 0.00 C ATOM 1722 O GLU A 112 7.895 -7.265 -17.177 1.00 0.00 O ATOM 1723 CB GLU A 112 9.562 -9.518 -16.768 1.00 0.00 C ATOM 1724 CG GLU A 112 10.716 -10.451 -16.390 1.00 0.00 C ATOM 1725 CD GLU A 112 10.212 -11.839 -16.013 1.00 0.00 C ATOM 1726 OE1 GLU A 112 9.283 -11.945 -15.183 1.00 0.00 O ATOM 1727 OE2 GLU A 112 10.745 -12.836 -16.548 1.00 0.00 O ATOM 0 H GLU A 112 9.749 -6.912 -15.582 1.00 0.00 H new ATOM 0 HA GLU A 112 10.856 -8.392 -17.951 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.907 -9.385 -15.907 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.965 -9.980 -17.554 1.00 0.00 H new ATOM 0 HG2 GLU A 112 11.410 -10.530 -17.226 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.271 -10.025 -15.554 1.00 0.00 H new ATOM 1734 N PRO A 113 9.092 -6.567 -18.958 1.00 0.00 N ATOM 1735 CA PRO A 113 8.433 -5.251 -19.165 1.00 0.00 C ATOM 1736 C PRO A 113 6.911 -5.007 -19.074 1.00 0.00 C ATOM 1737 O PRO A 113 6.408 -3.995 -19.569 1.00 0.00 O ATOM 1738 CB PRO A 113 8.913 -4.886 -20.561 1.00 0.00 C ATOM 1739 CG PRO A 113 10.350 -5.391 -20.600 1.00 0.00 C ATOM 1740 CD PRO A 113 10.310 -6.677 -19.777 1.00 0.00 C ATOM 0 HA PRO A 113 8.708 -4.660 -18.292 1.00 0.00 H new ATOM 0 HB2 PRO A 113 8.302 -5.360 -21.330 1.00 0.00 H new ATOM 0 HB3 PRO A 113 8.863 -3.811 -20.732 1.00 0.00 H new ATOM 0 HG2 PRO A 113 10.679 -5.581 -21.622 1.00 0.00 H new ATOM 0 HG3 PRO A 113 11.041 -4.664 -20.172 1.00 0.00 H new ATOM 0 HD2 PRO A 113 10.275 -7.556 -20.420 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.198 -6.774 -19.153 1.00 0.00 H new ATOM 1748 N ASP A 114 6.220 -5.788 -18.273 1.00 0.00 N ATOM 1749 CA ASP A 114 5.267 -5.201 -17.321 1.00 0.00 C ATOM 1750 C ASP A 114 6.009 -5.173 -15.969 1.00 0.00 C ATOM 1751 O ASP A 114 6.193 -6.198 -15.310 1.00 0.00 O ATOM 1752 CB ASP A 114 3.963 -6.012 -17.283 1.00 0.00 C ATOM 1753 CG ASP A 114 4.124 -7.502 -16.981 1.00 0.00 C ATOM 1754 OD1 ASP A 114 4.456 -8.274 -17.906 1.00 0.00 O ATOM 1755 OD2 ASP A 114 3.915 -7.907 -15.817 1.00 0.00 O ATOM 0 H ASP A 114 6.287 -6.806 -18.250 1.00 0.00 H new ATOM 0 HA ASP A 114 4.956 -4.195 -17.601 1.00 0.00 H new ATOM 0 HB2 ASP A 114 3.306 -5.575 -16.531 1.00 0.00 H new ATOM 0 HB3 ASP A 114 3.461 -5.906 -18.245 1.00 0.00 H new ATOM 1760 N TYR A 115 6.533 -4.001 -15.610 1.00 0.00 N ATOM 1761 CA TYR A 115 7.533 -3.911 -14.538 1.00 0.00 C ATOM 1762 C TYR A 115 6.863 -3.952 -13.169 1.00 0.00 C ATOM 1763 O TYR A 115 6.003 -3.111 -12.891 1.00 0.00 O ATOM 1764 CB TYR A 115 8.287 -2.590 -14.711 1.00 0.00 C ATOM 1765 CG TYR A 115 9.194 -2.255 -13.539 1.00 0.00 C ATOM 1766 CD1 TYR A 115 10.110 -3.152 -13.082 1.00 0.00 C ATOM 1767 CD2 TYR A 115 9.045 -1.063 -12.904 1.00 0.00 C ATOM 1768 CE1 TYR A 115 10.962 -2.803 -12.085 1.00 0.00 C ATOM 1769 CE2 TYR A 115 9.894 -0.713 -11.906 1.00 0.00 C ATOM 1770 CZ TYR A 115 10.889 -1.563 -11.534 1.00 0.00 C ATOM 1771 OH TYR A 115 11.806 -1.164 -10.601 1.00 0.00 O ATOM 0 H TYR A 115 6.287 -3.108 -16.038 1.00 0.00 H new ATOM 0 HA TYR A 115 8.218 -4.757 -14.598 1.00 0.00 H new ATOM 0 HB2 TYR A 115 8.885 -2.638 -15.621 1.00 0.00 H new ATOM 0 HB3 TYR A 115 7.566 -1.784 -14.845 1.00 0.00 H new ATOM 0 HD1 TYR A 115 10.159 -4.141 -13.513 1.00 0.00 H new ATOM 0 HD2 TYR A 115 8.249 -0.393 -13.195 1.00 0.00 H new ATOM 0 HE1 TYR A 115 11.697 -3.510 -11.730 1.00 0.00 H new ATOM 0 HE2 TYR A 115 9.780 0.238 -11.408 1.00 0.00 H new ATOM 0 HH TYR A 115 11.604 -0.249 -10.315 1.00 0.00 H new ATOM 1781 N CYS A 116 7.141 -5.007 -12.393 1.00 0.00 N ATOM 1782 CA CYS A 116 6.615 -5.085 -11.024 1.00 0.00 C ATOM 1783 C CYS A 116 7.520 -5.799 -10.019 1.00 0.00 C ATOM 1784 O CYS A 116 8.735 -5.944 -10.152 1.00 0.00 O ATOM 1785 CB CYS A 116 5.246 -5.781 -11.075 1.00 0.00 C ATOM 1786 SG CYS A 116 5.403 -7.573 -11.327 1.00 0.00 S ATOM 0 H CYS A 116 7.713 -5.801 -12.680 1.00 0.00 H new ATOM 0 HA CYS A 116 6.545 -4.060 -10.660 1.00 0.00 H new ATOM 0 HB2 CYS A 116 4.708 -5.591 -10.146 1.00 0.00 H new ATOM 0 HB3 CYS A 116 4.651 -5.352 -11.881 1.00 0.00 H new ATOM 0 HG CYS A 116 4.246 -8.139 -11.150 1.00 0.00 H new ATOM 1792 N TRP A 117 6.807 -6.170 -8.957 1.00 0.00 N ATOM 1793 CA TRP A 117 7.369 -6.641 -7.688 1.00 0.00 C ATOM 1794 C TRP A 117 6.521 -7.836 -7.256 1.00 0.00 C ATOM 1795 O TRP A 117 5.306 -7.710 -7.110 1.00 0.00 O ATOM 1796 CB TRP A 117 7.198 -5.613 -6.566 1.00 0.00 C ATOM 1797 CG TRP A 117 7.628 -4.196 -6.822 1.00 0.00 C ATOM 1798 CD1 TRP A 117 8.304 -3.692 -7.923 1.00 0.00 C ATOM 1799 CD2 TRP A 117 7.406 -3.132 -6.006 1.00 0.00 C ATOM 1800 NE1 TRP A 117 8.488 -2.329 -7.836 1.00 0.00 N ATOM 1801 CE2 TRP A 117 7.935 -2.013 -6.601 1.00 0.00 C ATOM 1802 CE3 TRP A 117 6.830 -3.081 -4.772 1.00 0.00 C ATOM 1803 CZ2 TRP A 117 8.011 -0.852 -5.904 1.00 0.00 C ATOM 1804 CZ3 TRP A 117 6.805 -1.889 -4.130 1.00 0.00 C ATOM 1805 CH2 TRP A 117 7.448 -0.813 -4.654 1.00 0.00 C ATOM 0 H TRP A 117 5.787 -6.151 -8.954 1.00 0.00 H new ATOM 0 HA TRP A 117 8.427 -6.853 -7.839 1.00 0.00 H new ATOM 0 HB2 TRP A 117 6.144 -5.595 -6.290 1.00 0.00 H new ATOM 0 HB3 TRP A 117 7.748 -5.975 -5.698 1.00 0.00 H new ATOM 0 HD1 TRP A 117 8.646 -4.296 -8.750 1.00 0.00 H new ATOM 0 HE1 TRP A 117 8.924 -1.704 -8.514 1.00 0.00 H new ATOM 0 HE3 TRP A 117 6.406 -3.965 -4.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 8.500 0.016 -6.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 6.271 -1.793 -3.196 1.00 0.00 H new ATOM 0 HH2 TRP A 117 7.517 0.094 -4.073 1.00 0.00 H new ATOM 1816 N ILE A 118 7.130 -8.971 -6.983 1.00 0.00 N ATOM 1817 CA ILE A 118 6.375 -10.147 -6.516 1.00 0.00 C ATOM 1818 C ILE A 118 6.753 -10.453 -5.065 1.00 0.00 C ATOM 1819 O ILE A 118 7.890 -10.813 -4.758 1.00 0.00 O ATOM 1820 CB ILE A 118 6.360 -11.336 -7.493 1.00 0.00 C ATOM 1821 CG1 ILE A 118 6.089 -12.692 -6.821 1.00 0.00 C ATOM 1822 CG2 ILE A 118 7.618 -11.476 -8.331 1.00 0.00 C ATOM 1823 CD1 ILE A 118 5.140 -13.510 -7.689 1.00 0.00 C ATOM 0 H ILE A 118 8.136 -9.118 -7.071 1.00 0.00 H new ATOM 0 HA ILE A 118 5.313 -9.900 -6.511 1.00 0.00 H new ATOM 0 HB ILE A 118 5.526 -11.082 -8.148 1.00 0.00 H new ATOM 0 HG12 ILE A 118 7.025 -13.232 -6.678 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.655 -12.540 -5.833 1.00 0.00 H new ATOM 0 HG21 ILE A 118 7.522 -12.338 -8.991 1.00 0.00 H new ATOM 0 HG22 ILE A 118 7.759 -10.576 -8.929 1.00 0.00 H new ATOM 0 HG23 ILE A 118 8.478 -11.615 -7.676 1.00 0.00 H new ATOM 0 HD11 ILE A 118 4.948 -14.471 -7.212 1.00 0.00 H new ATOM 0 HD12 ILE A 118 4.200 -12.971 -7.809 1.00 0.00 H new ATOM 0 HD13 ILE A 118 5.592 -13.674 -8.667 1.00 0.00 H new ATOM 1835 N LYS A 119 5.798 -10.236 -4.160 1.00 0.00 N ATOM 1836 CA LYS A 119 6.094 -10.351 -2.723 1.00 0.00 C ATOM 1837 C LYS A 119 6.096 -11.842 -2.371 1.00 0.00 C ATOM 1838 O LYS A 119 5.181 -12.589 -2.721 1.00 0.00 O ATOM 1839 CB LYS A 119 4.946 -9.621 -1.995 1.00 0.00 C ATOM 1840 CG LYS A 119 5.298 -8.976 -0.650 1.00 0.00 C ATOM 1841 CD LYS A 119 5.502 -9.993 0.476 1.00 0.00 C ATOM 1842 CE LYS A 119 5.687 -9.293 1.822 1.00 0.00 C ATOM 1843 NZ LYS A 119 5.903 -10.285 2.887 1.00 0.00 N ATOM 0 H LYS A 119 4.835 -9.986 -4.383 1.00 0.00 H new ATOM 0 HA LYS A 119 7.056 -9.921 -2.443 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.560 -8.845 -2.656 1.00 0.00 H new ATOM 0 HB3 LYS A 119 4.137 -10.333 -1.832 1.00 0.00 H new ATOM 0 HG2 LYS A 119 6.207 -8.385 -0.765 1.00 0.00 H new ATOM 0 HG3 LYS A 119 4.503 -8.286 -0.367 1.00 0.00 H new ATOM 0 HD2 LYS A 119 4.643 -10.663 0.526 1.00 0.00 H new ATOM 0 HD3 LYS A 119 6.375 -10.609 0.260 1.00 0.00 H new ATOM 0 HE2 LYS A 119 6.537 -8.612 1.772 1.00 0.00 H new ATOM 0 HE3 LYS A 119 4.808 -8.690 2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 6.444 -9.850 3.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 4.984 -10.613 3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.434 -11.094 2.506 1.00 0.00 H new ATOM 1857 N MET A 120 7.116 -12.246 -1.618 1.00 0.00 N ATOM 1858 CA MET A 120 7.144 -13.596 -1.033 1.00 0.00 C ATOM 1859 C MET A 120 7.093 -13.547 0.497 1.00 0.00 C ATOM 1860 O MET A 120 7.549 -12.592 1.127 1.00 0.00 O ATOM 1861 CB MET A 120 8.416 -14.290 -1.549 1.00 0.00 C ATOM 1862 CG MET A 120 8.380 -15.812 -1.391 1.00 0.00 C ATOM 1863 SD MET A 120 9.854 -16.516 -2.150 1.00 0.00 S ATOM 1864 CE MET A 120 9.291 -18.207 -2.417 1.00 0.00 C ATOM 0 H MET A 120 7.928 -11.670 -1.397 1.00 0.00 H new ATOM 0 HA MET A 120 6.263 -14.162 -1.335 1.00 0.00 H new ATOM 0 HB2 MET A 120 8.555 -14.044 -2.602 1.00 0.00 H new ATOM 0 HB3 MET A 120 9.280 -13.896 -1.013 1.00 0.00 H new ATOM 0 HG2 MET A 120 8.336 -16.080 -0.335 1.00 0.00 H new ATOM 0 HG3 MET A 120 7.484 -16.218 -1.861 1.00 0.00 H new ATOM 0 HE1 MET A 120 10.088 -18.786 -2.884 1.00 0.00 H new ATOM 0 HE2 MET A 120 9.027 -18.658 -1.460 1.00 0.00 H new ATOM 0 HE3 MET A 120 8.417 -18.201 -3.069 1.00 0.00 H new TER 1874 MET A 120